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filter_to_common_atoms, load_structure_with_altlocs, - select_altloc, ) @@ -111,47 +110,9 @@ def _chain_from_selection(selection: str) -> str | None: return chain_id -def _build_pairwise_altloc_arrays( - atom_array, altloc_ids: list[str] -) -> dict[tuple[str, str], tuple[AtomArray, AtomArray]]: - """Return ``{(id_i, id_j): (array_i, array_j)}`` pre-filtered to common atoms. - - For each unordered altloc pair we build the two per-altloc AtomArrays - (via ``select_altloc(return_full_array=True)``, which includes blank-altloc - atoms as shared context) and then run ``filter_to_common_atoms`` so the two - inputs have identical atom order and count. - - We build per-pair rather than using ``map_altlocs_to_stack`` so residues whose - altloc set is a subset of those in the whole structure (e.g. 2YL0 res 60–64 - carry only altlocs A and B, not C) still get scored for the pairs where they - exist. A stack level ``filter_to_common_atoms`` would drop them entirely. - - TODO: this helper hits the broader issue in how we - handle structures with >2 altlocs. - Fixing that upstream would let us replace this helper - with a direct ``map_altlocs_to_stack`` call and remove a source of - duplication. - """ - pairs: dict[tuple[str, str], tuple[AtomArray, AtomArray]] = {} - for i in range(len(altloc_ids)): - for j in range(i + 1, len(altloc_ids)): - a_i = select_altloc(atom_array, altloc_ids[i], return_full_array=True) - a_j = select_altloc(atom_array, altloc_ids[j], return_full_array=True) - try: - f_i, f_j = filter_to_common_atoms(a_i, a_j) - except RuntimeError as e: - logger.warning( - f"could not match atoms between altlocs " - f"{altloc_ids[i]} and {altloc_ids[j]}: {e}" - ) - continue - pairs[(altloc_ids[i], altloc_ids[j])] = (f_i, f_j) - return pairs - - def _mean_residue_lddt_for_pair( - gt_array: AtomArray, - pred_array: AtomArray, + gt_array: AtomArrayStack | AtomArray | None, + pred_array: AtomArrayStack | AtomArray | None, chain: str, residues: list[int], ) -> float: @@ -187,7 +148,7 @@ def _mean_residue_lddt_for_pair( def _classify_selection( atom_array: AtomArray, - pair_arrays: dict[tuple[str, str], tuple[AtomArray, AtomArray]], + pair_arrays: dict[tuple[str, str], tuple[AtomArrayStack, AtomArrayStack]], altloc_ids: list[str], selection_str: str, protein: str, @@ -345,7 +306,7 @@ def _process_structure( ) return [] - pair_arrays = _build_pairwise_altloc_arrays(atom_array, altloc_info.altloc_ids) + pair_arrays = build_pairwise_altloc_arrays(atom_array, altloc_info.altloc_ids) structure_altloc_mask = ~np.isin(atom_array.altloc_id, list(BLANK_ALTLOC_IDS)) structure_backbone_mask = np.isin(atom_array.atom_name, BACKBONE_ATOM_TYPES) @@ -356,6 +317,8 @@ def _process_structure( # find_altloc_selections.py appends a combined all altloc selection # (atomworks-style with " or " clauses) at the end of each row. That one is # a union over every span we already processed individually, so skip it. + # NOTE: This will need to be addressed when we + # migrate to atomworks-style selections for everything if " or " in selection_str: continue out = _classify_selection( @@ -371,8 +334,8 @@ def _process_structure( ) if out is None: continue - row, covered = out - rows.append(row) + classified_row, covered = out + rows.append(classified_row) classified_res_ids.update(covered) # residues across all classified spans should equal total unique @@ -415,7 +378,7 @@ def main(args: argparse.Namespace) -> None: ) ) - out_df = pd.DataFrame(all_rows, columns=OUTPUT_COLUMNS) + out_df = pd.DataFrame(all_rows, columns=pd.Index(OUTPUT_COLUMNS)) args.output_file.parent.mkdir(parents=True, exist_ok=True) out_df.to_csv(args.output_file, index=False) logger.info(f"Wrote {len(out_df)} classified spans to {args.output_file}") diff --git a/scripts/eval/find_max_rmsd_subsegment.py b/scripts/eval/find_max_rmsd_subsegment.py new file mode 100644 index 00000000..5e21f22e --- /dev/null +++ b/scripts/eval/find_max_rmsd_subsegment.py @@ -0,0 +1,269 @@ +"""Find the maximum RMSD subsegment within each altloc selection. + +This script consumes the output of ``scripts/eval/find_altloc_selections.py`` +and, for each contiguous altloc span longer than ``--window-size`` residues, +identifies the contiguous subsegment of that size with the highest +RMSD between any pair of alternate conformations. + +Only residues with identical residue names across altlocs are considered. +Windows containing compositional heterogeneity (different residue names, e.g. CYS vs CSO) +are skipped. + +The primary output CSV preserves the setup expected by +``rscc_grid_search_script.py`` (one row per protein, semicolon joined +selections). An optional diagnostic CSV provides per selection detail. + +Usage: find_altloc_selections.py -> this script -> rscc_grid_search_script.py +""" + +import argparse +from pathlib import Path + +import numpy as np +import pandas as pd +from biotite.structure import AtomArrayStack, get_residues, rmsd as biotite_rmsd +from loguru import logger +from sampleworks.eval.grid_search_eval_utils import resolve_cif_path +from sampleworks.eval.structure_utils import ( + ATOMWORKS_COMPARISON_OPS, + parse_selection_string, +) +from sampleworks.utils.atom_array_utils import ( + build_pairwise_altloc_arrays, + detect_altlocs, + load_structure_with_altlocs, +) + + +def _has_compositional_heterogeneity(arr_i, arr_j, mask: np.ndarray) -> bool: + """Check if residues under *mask* have different names between two altloc arrays.""" + _, names_i = get_residues(arr_i[mask]) + _, names_j = get_residues(arr_j[mask]) + return not np.array_equal(names_i, names_j) + + +def _find_max_rmsd_window( + pair_arrays: dict[tuple[str, str], tuple[AtomArrayStack, AtomArrayStack]], + chain: str, + residues: list[int], + window_size: int = 3, +) -> tuple[list[int], float, str] | None: + """Slide a window over residues and find the subsegment with maximum all atom RMSD. + + Parameters + ---------- + pair_arrays + Output of ``build_pairwise_altloc_arrays``. + chain + Chain ID to filter on. + residues + Sorted list of actual residue IDs in the span. + window_size + Number of consecutive residues per window. + + Returns + ------- + tuple or None + ``(best_window_residues, best_rmsd, best_pair_str)`` or ``None`` + if no valid RMSD could be computed for any window. + """ + max_rmsd = -np.inf + max_window: list[int] | None = None + max_pair = "" + + for w in range(len(residues) - window_size + 1): + window_res = residues[w : w + window_size] + + for (alt_i, alt_j), (stack_i, stack_j) in pair_arrays.items(): + arr_i = stack_i[0] + arr_j = stack_j[0] + + mask = (arr_i.chain_id == chain) & np.isin(arr_i.res_id, window_res) + if mask.sum() == 0: + continue + + if _has_compositional_heterogeneity(arr_i, arr_j, mask): + continue + + rmsd_val = float(biotite_rmsd(arr_i[mask], arr_j[mask])) + if np.isfinite(rmsd_val) and rmsd_val > max_rmsd: + max_rmsd = rmsd_val + max_window = window_res + max_pair = f"{alt_i}-{alt_j}" + + if max_window is None: + return None + return max_window, float(max_rmsd), max_pair + + +def _process_structure( + row: pd.Series, + cif_root: Path | None, + window_size: int = 3, +) -> list[dict]: + """Load a structure and narrow all its selections to max RMSD subsegments.""" + protein = str(row["protein"]) + cif_path = resolve_cif_path(row, cif_root) + if not cif_path.exists(): + logger.error(f"[{protein}] CIF file not found: {cif_path}") + return [] + + selection_field = row.get("selection", "") + if not isinstance(selection_field, str) or not selection_field.strip(): + logger.warning(f"[{protein}] no selections in CSV row") + return [] + + logger.info(f"[{protein}] loading {cif_path}") + atom_array = load_structure_with_altlocs(cif_path) + altloc_info = detect_altlocs(atom_array) + if len(altloc_info.altloc_ids) < 2: + logger.warning( + f"[{protein}] structure has <2 altloc IDs ({altloc_info.altloc_ids}); skipping" + ) + return [] + + pair_arrays = build_pairwise_altloc_arrays(atom_array, altloc_info.altloc_ids) + if not pair_arrays: + logger.warning(f"[{protein}] no valid altloc pairs could be built; skipping") + return [] + + output_rows: list[dict] = [] + for sel_str in [s.strip() for s in selection_field.split(";") if s.strip()]: + # Skip atomworks-style catchall selections # NOTE: This will need to be addressed when we + # migrate to atomworks-style selections for everything, similar to classify_altloc_regions + if any(op in sel_str for op in ATOMWORKS_COMPARISON_OPS): + continue + + chain, start, end = parse_selection_string(sel_str) + if chain is None or start is None or end is None: + logger.warning(f"[{protein}] cannot parse selection: {sel_str}") + continue + + # Get resids present in the structure for this range + range_mask = ( + (atom_array.chain_id == chain) + & (atom_array.res_id >= start) + & (atom_array.res_id <= end) + ) + actual_res_ids = sorted(set(int(r) for r in atom_array.res_id[range_mask])) + + if not actual_res_ids: + logger.warning(f"[{protein}] selection matched no residues: {sel_str}") + continue + + out: dict = { + "protein": protein, + "structure_pattern": row.get("structure_pattern", ""), + "map_pattern": row.get("map_pattern", ""), + "base_map_dir": row.get("base_map_dir", ""), + "resolution": row.get("resolution", ""), + "original_selection": sel_str, + } + + if len(actual_res_ids) <= window_size: + out["selection"] = sel_str + out["max_rmsd"] = float("nan") + out["altloc_pair"] = "" + else: + result = _find_max_rmsd_window(pair_arrays, chain, actual_res_ids, window_size) + if result is None: + logger.warning(f"[{protein}] no valid RMSD window for {sel_str}; keeping original") + out["selection"] = sel_str + out["max_rmsd"] = float("nan") + out["altloc_pair"] = "" + else: + max_res, max_rmsd, max_pair = result + out["selection"] = f"chain {chain} and resi {max_res[0]}-{max_res[-1]}" + out["max_rmsd"] = max_rmsd + out["altloc_pair"] = max_pair + + output_rows.append(out) + + return output_rows + + +def main(args: argparse.Namespace) -> None: + input_df = pd.read_csv(args.input_csv) + required = {"protein", "selection"} + missing = required - set(input_df.columns) + if missing: + raise ValueError(f"Input CSV missing required columns: {missing}") + + all_rows: list[dict] = [] + for _, row in input_df.iterrows(): + all_rows.extend( + _process_structure(row=row, cif_root=args.cif_root, window_size=args.window_size) + ) + + detail_df = pd.DataFrame(all_rows) + + # Write diagnostic csv + if args.diagnostic_file: + args.diagnostic_file.parent.mkdir(parents=True, exist_ok=True) + detail_df.to_csv(args.diagnostic_file, index=False) + logger.info(f"Wrote {len(detail_df)} rows to {args.diagnostic_file}") + + if detail_df.empty: + final_df = pd.DataFrame( + columns=pd.Index( + [ + "protein", + "selection", + "structure_pattern", + "map_pattern", + "base_map_dir", + "resolution", + ] + ) + ) + else: + final_rows = [] + for protein, group in detail_df.groupby("protein", sort=False): + final_rows.append( + { + "protein": protein, + "selection": ";".join(group["selection"]), + "structure_pattern": group["structure_pattern"].iloc[0], + "map_pattern": group["map_pattern"].iloc[0], + "base_map_dir": group["base_map_dir"].iloc[0], + "resolution": group["resolution"].iloc[0], + } + ) + final_df = pd.DataFrame(final_rows) + + args.output_file.parent.mkdir(parents=True, exist_ok=True) + final_df.to_csv(args.output_file, index=False) + logger.info(f"Wrote {len(final_df)} proteins to {args.output_file}") + + +if __name__ == "__main__": + parser = argparse.ArgumentParser( + description=( + "For each altloc selection spanning more than --window-size residues, " + "find the contiguous subsegment with maximum pairwise all atom RMSD " + "between altloc conformations. Narrows selections for downstream RSCC evaluation." + ) + ) + parser.add_argument( + "--input-csv", + type=Path, + required=True, + help="Output CSV from find_altloc_selections.py (columns: protein, selection, " + "structure_pattern, map_pattern, base_map_dir, resolution).", + ) + parser.add_argument( + "--cif-root", + type=Path, + default=None, + help="Root directory to resolve structure_pattern entries against.", + ) + parser.add_argument("--output-file", type=Path, required=True) + parser.add_argument( + "--diagnostic-file", + type=Path, + default=None, + help="Optional per-selection diagnostic CSV with RMSD details.", + ) + parser.add_argument("--window-size", type=int, default=3) + args = parser.parse_args() + main(args) diff --git a/scripts/eval/rscc_grid_search_script.py b/scripts/eval/rscc_grid_search_script.py index 78bbca61..1238d850 100644 --- a/scripts/eval/rscc_grid_search_script.py +++ b/scripts/eval/rscc_grid_search_script.py @@ -9,14 +9,19 @@ ## Workflow: 1. Scan the `grid_search_results` directory for completed trials -2. For each trial with a `refined.cif`, compute the electron density map +2. For each trial with a `refined.cif`, compute the electron density map (trials are grouped + by ``(protein, occupancy_key)`` and processed in parallel, configure with ``--n-jobs``) 3. Compare against the corresponding base map and calculate RSCC 4. Aggregate and visualize results by ensemble size, guidance weight, and scaler type + +Depending on the GPU, --n-jobs=8-16 work well. A CUDA RuntimeError in a worker is caught per-trial +(the row gets ``rscc=nan``) but may affect other trials in the same worker. """ import argparse import copy import traceback +from pathlib import Path import numpy as np import pandas as pd @@ -24,10 +29,10 @@ # Import local modules for density calculation from atomworks.io.parser import parse -from biotite.structure import AtomArrayStack +from joblib import delayed, Parallel from loguru import logger -from sampleworks.core.forward_models.xray.real_space_density_deps.qfit.volume import XMap from sampleworks.eval.constants import DEFAULT_SELECTION_PADDING +from sampleworks.eval.eval_dataclasses import ProteinConfig, Trial from sampleworks.eval.grid_search_eval_utils import parse_eval_args, setup_evaluation_parameters from sampleworks.eval.metrics import rscc from sampleworks.eval.structure_utils import ( @@ -38,7 +43,10 @@ filter_to_common_atoms, remove_atoms_with_any_nan_coords, ) -from sampleworks.utils.density_utils import compute_density_from_atomarray +from sampleworks.utils.density_utils import ( + build_density_transformer, + run_density_transformer, +) from sampleworks.utils.frame_transforms import ( apply_forward_transform, weighted_rigid_align_differentiable, @@ -46,12 +54,210 @@ from sampleworks.utils.framework_utils import match_batch +OccKey = tuple[tuple[str, float], ...] + + +def process_group( + trials: list[Trial], + protein: str, + protein_config: ProteinConfig, + group_ref_coords: dict[str, np.ndarray], + base_map_path: Path, +) -> list[dict]: + """ + Process all trials sharing one (protein, occ_key) group. + + Loads the base map, builds the transformer, and parses the reference + structure exactly once. Returns one row per (trial, valid selection), + with ``rscc=nan`` and ``error`` populated on failure. + + Parameters + ---------- + trials : list[Trial] + The trials to process. + protein : str + The protein name. + protein_config : ProteinConfig + The protein configuration. + group_ref_coords : dict[str, np.ndarray] + The reference coordinates for the group. + base_map_path : Path + The path to the base map. + + Returns + ------- + list[dict] + A list of dictionaries populating the ``rscc`` and ``error`` fields for each trial. + + Raises + ------ + ValueError + If the base map cannot be loaded. + """ + valid_selections = [s for s in protein_config.selection if s in group_ref_coords] + rows: list[dict] = [] + + device = torch.device("cuda" if torch.cuda.is_available() else "cpu") + + # Load base map + transformer + reference once for the whole group. + # TODO: this needs to be better unified with what's in generate_synthetic_density + try: + # Load base map for canonical unit cell, + # don't overwrite the base map with selection map--we'll use the full map later too. + base_xmap = protein_config.load_map(base_map_path) + if base_xmap is None: + raise ValueError(f"Failed to load base map from {base_map_path}") + + transformer, _ = build_density_transformer(base_xmap, em_mode=False, device=device) + + # Load the reference structure (used to align refined structures so the calculated + # maps line up with the base map, for a correct RSCC calculation). + ref_path = protein_config.get_reference_structure_path(trials[0].altloc_occupancies) + if ref_path is None: + raise ValueError( + f"Could not find reference structure for occupancy {trials[0].altloc_occupancies}" + ) + # parse() returns only the first altloc. + ref_structure = parse(ref_path, ccd_mirror_path=None) + ref_atom_array = get_asym_unit_from_structure(ref_structure) + ref_atom_array = remove_atoms_with_any_nan_coords(ref_atom_array) + except (FileNotFoundError, OSError, ValueError, RuntimeError) as e: + logger.error(f"ERROR setting up group {protein}/{trials[0].altloc_occupancies}: {e}") + logger.error(f" Traceback: {traceback.format_exc()}") + for trial in trials: + for selection in valid_selections: + row = trial.__dict__.copy() + row.update( + selection=selection, + error=str(e), + rscc=np.nan, + base_map_path=base_map_path, + ) + rows.append(row) + return rows + + extracted_base_cache: dict[str, np.ndarray] = {} + + # parse refined, align, and compute density once per trial. + for trial in trials: + try: + structure = parse(trial.refined_cif_path, ccd_mirror_path=None) + atom_array = get_asym_unit_from_structure(structure) + if not hasattr(atom_array, "coord") or atom_array.coord is None: + raise AttributeError("AtomArray | AtomArrayStack is missing coordinates") + + if not hasattr(atom_array, "b_factor"): + logger.warning( + f"No b-factor array found in {trial.refined_cif_path}, setting to 20." + ) + atom_array.set_annotation("b_factor", np.full(atom_array.coord.shape[-2], 20.0)) + + atom_array = remove_atoms_with_any_nan_coords(atom_array) + # 1. Find the common atoms with non-nan coords between the reference + # and the refined structure. + ref_common, pred_common = filter_to_common_atoms(ref_atom_array, atom_array) + + # 2. Align the refined structure to the reference + # using weighted_rigid_align_differentiable. + # Convert to torch tensors with batch dimension. + ref_coords_torch = torch.from_numpy(ref_common.coord).float() # [1, n_atoms, 3] + pred_coords_torch = torch.from_numpy(pred_common.coord).float() # [1, n_atoms, 3] + ref_coords_torch = match_batch(ref_coords_torch, pred_coords_torch.shape[0]) + if ( + len(ref_coords_torch.shape) != 3 + or ref_coords_torch.shape[1] != pred_coords_torch.shape[1] + ): + logger.error( + f"Shape error: ref_coords_torch: {ref_coords_torch.shape}, " + f"pred_coords_torch: {pred_coords_torch.shape}" + ) + raise ValueError("ref_coords_torch and pred_coords_torch must have the same shape") + + # Create uniform weights and mask for all common atoms + n_atoms = ref_coords_torch.shape[1] + weights = torch.ones(1, n_atoms) + mask = torch.ones(1, n_atoms) + + # Align predicted to reference and get the transform + _, transform = weighted_rigid_align_differentiable( + true_coords=pred_coords_torch, # coords to align + pred_coords=ref_coords_torch, # target coords + weights=weights, + mask=mask, + return_transforms=True, + allow_gradients=False, + ) + + # 3. Apply the transform to the entire refined structure (atom_array) + atom_array_coords_torch = torch.from_numpy(atom_array.coord) + aligned_coords_torch = apply_forward_transform( + atom_array_coords_torch, transform, rotation_only=False + ) + atom_array.coord = aligned_coords_torch.numpy() + + # Compute density from the aligned refined structure + computed_density = run_density_transformer(transformer, atom_array) + # Shallow-copy the base xmap so .array can be rebound without touching the cache. + # XMap.extract_tight reads self.array live, so the two wrappers stay independent. + computed_xmap = copy.copy(base_xmap) + computed_xmap.array = computed_density.cpu().numpy() + if computed_xmap.array.shape != base_xmap.array.shape: + raise ValueError( + f"density shape {computed_xmap.array.shape} does not match base map " + f"shape {base_xmap.array.shape}" + ) + except (FileNotFoundError, OSError, ValueError, RuntimeError) as e: + logger.error(f"ERROR processing trial {trial.trial_dir}: {e}") + logger.error(f" Traceback: {traceback.format_exc()}") + for selection in valid_selections: + row = trial.__dict__.copy() + row.update( + selection=selection, + error=str(e), + rscc=np.nan, + base_map_path=base_map_path, + ) + rows.append(row) + continue + + # Per selection, extract base region (cache) + computed region, compute RSCC + for selection in valid_selections: + sel_coords = group_ref_coords[selection] + row = trial.__dict__.copy() + row.update(selection=selection, error=None, base_map_path=base_map_path) + try: + extracted_base = extracted_base_cache.get(selection) + if extracted_base is None: + _, extracted_base = base_xmap.extract_tight( + sel_coords, padding=DEFAULT_SELECTION_PADDING + ) + if extracted_base is None or extracted_base.shape[0] == 0: + raise ValueError(f"Extracted base map empty for selection {selection}") + extracted_base_cache[selection] = extracted_base + + _, extracted_computed = computed_xmap.extract_tight( + sel_coords, padding=DEFAULT_SELECTION_PADDING + ) + # Validate extraction + if extracted_computed is None or extracted_computed.shape[0] == 0: + raise ValueError("Extracted computed map is empty") + # Calculate RSCC on extracted regions + row["rscc"] = rscc(extracted_base, extracted_computed) + except Exception as e: + logger.error(f"ERROR processing {trial.trial_dir} selection {selection}: {e}") + row["error"] = str(e) + row["rscc"] = np.nan # this is the default, but better to be explicit. + rows.append(row) + + return rows + + # TODO consolidate eval script logic: https://github.com/diff-use/sampleworks/issues/93 def main(args: argparse.Namespace): all_trials, protein_configs = setup_evaluation_parameters(args) logger.info("Pre-loading reference structures for each protein for coordinate extraction") - ref_coords = {} + ref_coords: dict[tuple[str, str], np.ndarray] = {} for protein_key, protein_config in protein_configs.items(): # NOTE THAT THIS will be by default include all altlocs, as we use them to create a mask # for where to judge the maps' correlation. @@ -66,15 +272,11 @@ def main(args: argparse.Namespace): "Note: RSCC is computed on the region around altloc residues (defined by selection)" ) - device = torch.device("cuda" if torch.cuda.is_available() else "cpu") - logger.info(f"Using device: {device}") - - results = [] - base_map_cache: dict[tuple[str, tuple[tuple[str, float], ...], str], tuple[XMap, XMap]] = {} - ref_full_structure_cache: dict[tuple[str, tuple[tuple[str, float], ...]], AtomArrayStack] = {} - # TODO parallelize this loop? It uses GPU, so be careful. - for i, trial in enumerate(all_trials): - prev_result_count = len(results) + # Sort so all trials sharing a (protein, occ_key) are contiguous, then build groups. + # Resolve protein name once per group and slice ref_coords for each protein. + groups: list[tuple[str, list[Trial], Path, dict[str, np.ndarray]]] = [] + group_index: dict[tuple[str, OccKey], int] = {} + for trial in sorted(all_trials, key=lambda t: (t.protein, t.occ_key)): if trial.protein in protein_configs: protein = trial.protein elif trial.protein.upper() in protein_configs: @@ -82,188 +284,41 @@ def main(args: argparse.Namespace): else: logger.warning(f"Skipping protein with no configuration: {trial.protein}") continue - - protein_config = protein_configs[protein] - for selection in protein_config.selection: - # Check if we have reference coordinates for region extraction - if (protein, selection) not in ref_coords: - logger.warning( - f"Skipping {trial.protein_dir_name}/{selection}: no reference structure " - f"available for {trial.protein}, this may be due to a selection with zero " - f"atoms or NaN/Inf coordinates. Check logs above." - ) - continue - - selection_coords = ref_coords[(protein, selection)] + key = (protein, trial.occ_key) + idx = group_index.get(key) + if idx is None: + protein_config = protein_configs[protein] base_map_path = protein_config.get_base_map_path_for_occupancy(trial.altloc_occupancies) if base_map_path is None: logger.warning( - f"Skipping {trial.protein_dir_name}: base map for selection {selection} and " - f"occupancy {trial.altloc_occupancies} not found" + f"Skipping group {protein}/{trial.altloc_occupancies}: base map not found" ) + group_index[key] = -1 continue - - trial_result = trial.__dict__.copy() - trial_result["selection"] = selection - trial_result["error"] = None - try: - # TODO: this needs to be better unified with what's in generate_synthetic_density - # - # Load base map for canonical unit cell, - # don't overwrite the base map with selection map--we'll use the full map later too. - if (protein, trial.occ_key, selection) not in base_map_cache: - base_xmap = protein_config.load_map(base_map_path) - if base_xmap is None: - raise ValueError(f"Failed to load base map from {base_map_path}") - - # Extract the region around altloc residues from the base map, using the - # union of boxes around each atom. extracted_base is no longer an XMap - _, extracted_base = base_xmap.extract_tight( - selection_coords, padding=DEFAULT_SELECTION_PADDING - ) - logger.info( - f"Caching base and subselected maps for {protein} " - f"altloc_occupancies={trial.altloc_occupancies} selection={selection}" - ) - base_map_cache[(protein, trial.occ_key, selection)] = ( - base_xmap, - extracted_base, - ) - else: - base_xmap, extracted_base = base_map_cache[(protein, trial.occ_key, selection)] - - # Validate extraction - if extracted_base is None or extracted_base.shape[0] == 0: - raise ValueError(f"Extracted base map from {base_map_path} is empty") - - # Load refined structure - structure = parse(trial.refined_cif_path, ccd_mirror_path=None) - - # Compute density from refined structure - atom_array = get_asym_unit_from_structure(structure) - if not hasattr(atom_array, "coord") or atom_array.coord is None: - raise AttributeError("AtomArray | AtomArrayStack is missing coordinates") - - if not hasattr(atom_array, "b_factor"): - logger.warning( - f"No b-factor array found in {trial.refined_cif_path}, setting to 20." - ) - atom_array.set_annotation("b_factor", np.full(atom_array.coord.shape[-2], 20.0)) - - # Lines ~183-245 are to align the refined structure to the reference structure. - # so that the calculated maps are also aligned, for a correct RSCC calculation - # - # Align the refined structure to the reference structure - # 1. Get the reference structure path and load from cache if available - if (protein, trial.occ_key) not in ref_full_structure_cache: - ref_path = protein_config.get_reference_structure_path(trial.altloc_occupancies) - if ref_path is None: - raise ValueError( - f"Could not find reference structure for " - f"occupancy {trial.altloc_occupancies}" - ) - - # 2. Load the reference structure with parse() to get only the first altloc - ref_structure = parse(ref_path, ccd_mirror_path=None) - ref_atom_array = get_asym_unit_from_structure(ref_structure) - logger.info( - f"Caching reference structure for {protein} " - f"altloc_occupancies={trial.altloc_occupancies}" - ) - ref_full_structure_cache[(protein, trial.occ_key)] = ref_atom_array - else: - ref_atom_array = ref_full_structure_cache[(protein, trial.occ_key)] - - # 3. Find the common atoms with non-nan coords between the reference - # and the refined structure - ref_atom_array = remove_atoms_with_any_nan_coords(ref_atom_array) - atom_array = remove_atoms_with_any_nan_coords(atom_array) - ref_common, pred_common = filter_to_common_atoms(ref_atom_array, atom_array) - - # 4. Align the refined structure to the reference - # using weighted_rigid_align_differentiable - # Convert to torch tensors with batch dimension - ref_coords_torch = torch.from_numpy(ref_common.coord).float() # [1, n_atoms, 3] - pred_coords_torch = torch.from_numpy(pred_common.coord).float() # [1, n_atoms, 3] - - ref_coords_torch = match_batch(ref_coords_torch, pred_coords_torch.shape[0]) - if ( - len(ref_coords_torch.shape) != 3 - or ref_coords_torch.shape[1] != pred_coords_torch.shape[1] - ): - logger.error( - f"Shape error: ref_coords_torch: {ref_coords_torch.shape}, " - f"pred_coords_torch: {pred_coords_torch.shape}" - ) - raise ValueError( - "ref_coords_torch and pred_coords_torch must have the same shape" - ) - - # Create uniform weights and mask for all common atoms - n_atoms = ref_coords_torch.shape[1] - weights = torch.ones(1, n_atoms) - mask = torch.ones(1, n_atoms) - - # Align predicted to reference and get the transform - _, transform = weighted_rigid_align_differentiable( - true_coords=pred_coords_torch, # coords to align - pred_coords=ref_coords_torch, # target coords - weights=weights, - mask=mask, - return_transforms=True, - allow_gradients=False, - ) - - # 5. Apply the transform to the entire refined structure (atom_array) - atom_array_coords_torch = torch.from_numpy(atom_array.coord) - aligned_coords_torch = apply_forward_transform( - atom_array_coords_torch, transform, rotation_only=False - ) - atom_array.coord = aligned_coords_torch.numpy() - - # Compute density from the aligned refined structure - computed_density, _ = compute_density_from_atomarray( - atom_array, xmap=base_xmap, em_mode=False, device=device - ) - - # Create an XMap from the computed density by copying the base xmap - # and replacing its array with the computed density - computed_xmap = copy.deepcopy(base_xmap) - computed_xmap.array = computed_density.cpu().numpy().squeeze() - _, extracted_computed = computed_xmap.extract_tight( - selection_coords, padding=DEFAULT_SELECTION_PADDING - ) - - # Validate extraction - if extracted_computed is None or extracted_computed.shape[0] == 0: - raise ValueError("Extracted computed map is empty") - - # Calculate RSCC on extracted regions - # TODO: don't alter the input object trial, just get a copy of it as a dict. - trial_result["rscc"] = rscc(extracted_base, extracted_computed) - trial_result["base_map_path"] = base_map_path - - except Exception as e: - logger.error(f"ERROR processing {trial.trial_dir}: {e}") - logger.error(f" Traceback: {traceback.format_exc()}") - trial_result["error"] = e - trial_result["rscc"] = np.nan # this is the default, but better to be explicit. - trial_result["base_map_path"] = base_map_path - - results.append(trial_result) - - if (i + 1) % 10 == 0 or i == 0: - if len(results) > prev_result_count: - latest_result = results[-1] - logger.debug( - f" [{i + 1}/{len(all_trials)}] {latest_result.get('protein_dir_name', '?')} / " - f"{latest_result.get('model', '?')} / {latest_result.get('scaler', '?')} / " - f"ens{latest_result.get('ensemble_size', '?')}_gw" - f"{latest_result.get('guidance_weight', '?')}: " - f"RSCC = {latest_result.get('rscc', float('nan')):.4f}" + group_ref_coords = { + s: ref_coords[(protein, s)] + for s in protein_config.selection + if (protein, s) in ref_coords + } + if not group_ref_coords: + logger.warning( + f"Skipping group {protein}/{trial.altloc_occupancies}: " + f"no reference structure for any configured selection" ) - else: - logger.debug(f" [{i + 1}/{len(all_trials)}] did not add new result.") + group_index[key] = -1 + continue + group_index[key] = len(groups) + groups.append((protein, [trial], base_map_path, group_ref_coords)) + elif idx >= 0: + groups[idx][1].append(trial) + + group_results = Parallel(n_jobs=args.n_jobs, verbose=10)( + delayed(process_group)( + trials, protein, protein_configs[protein], group_ref_coords, base_map_path + ) + for protein, trials, base_map_path, group_ref_coords in groups + ) + results = [row for rows in group_results for row in rows] logger.info(f"\nCompleted RSCC calculation for {len(results)} trials") diff --git a/src/sampleworks/utils/atom_array_utils.py b/src/sampleworks/utils/atom_array_utils.py index 9ea5444a..c4100ecd 100644 --- a/src/sampleworks/utils/atom_array_utils.py +++ b/src/sampleworks/utils/atom_array_utils.py @@ -751,3 +751,41 @@ def filter_to_common_atoms( if return_indices: return result_arrays, tuple(index_arrays) return result_arrays + + +def build_pairwise_altloc_arrays( + atom_array: AtomArray, altloc_ids: list[str] +) -> dict[tuple[str, str], tuple[AtomArrayStack, AtomArrayStack]]: + """Return ``{(id_i, id_j): (array_i, array_j)}`` pre-filtered to common atoms. + + For each unordered altloc pair we build the two per-altloc AtomArrays + via ``select_altloc(return_full_array=True)``, which includes blank-altloc + atoms as shared context and then run ``filter_to_common_atoms`` so the two + inputs have identical atom order and count. + + We build per-pair rather than using ``map_altlocs_to_stack`` so residues whose + altloc set is a subset of those in the whole structure (e.g. 2YL0 res 60–64 + carry only altlocs A and B, not C) still get scored for the pairs where they + exist. A stack level ``filter_to_common_atoms`` would drop them entirely. + + TODO: this helper hits the broader issue in how we + handle structures with >2 altlocs. + Fixing that upstream would let us replace this helper + with a direct ``map_altlocs_to_stack`` call and remove a source of + duplication. + """ + pairs: dict[tuple[str, str], tuple[AtomArrayStack, AtomArrayStack]] = {} + for i in range(len(altloc_ids)): + for j in range(i + 1, len(altloc_ids)): + a_i = select_altloc(atom_array, altloc_ids[i], return_full_array=True) + a_j = select_altloc(atom_array, altloc_ids[j], return_full_array=True) + try: + f_i, f_j = filter_to_common_atoms(a_i, a_j) + except RuntimeError as e: + logger.warning( + f"could not match atoms between altlocs " + f"{altloc_ids[i]} and {altloc_ids[j]}: {e}" + ) + continue + pairs[(altloc_ids[i], altloc_ids[j])] = (f_i, f_j) + return pairs diff --git a/src/sampleworks/utils/density_utils.py b/src/sampleworks/utils/density_utils.py index 39f043a9..e1d046ab 100644 --- a/src/sampleworks/utils/density_utils.py +++ b/src/sampleworks/utils/density_utils.py @@ -82,6 +82,84 @@ def create_synthetic_grid( return empty_xmap +def build_density_transformer( + xmap: XMap, + em_mode: bool, + device: torch.device, +) -> tuple[DifferentiableTransformer, XMap_torch]: + """Build a reusable DifferentiableTransformer bound to a grid. + + Callers that compute density for many structures on the same grid can + build the transformer once and reuse it across calls, avoiding the cost + of GaussLegendreQuadrature setup and transform-matrix initialization + inside :class:`DifferentiableTransformer.__init__`. + + Parameters + ---------- + xmap : XMap + Map whose grid geometry (unit cell, voxel spacing, resolution, + origin) defines the output density grid. + em_mode : bool + If True, use electron scattering factors. If False, use X-ray factors. + device : torch.device + PyTorch device for computation. + + Returns + ------- + tuple[DifferentiableTransformer, XMap_torch] + The transformer and the XMap_torch it was built against. + """ + scattering_params = setup_scattering_params(em_mode=em_mode, device=device) + + xmap_torch = XMap_torch(xmap, device=device) + transformer = DifferentiableTransformer( + xmap=xmap_torch, + scattering_params=scattering_params, + em=em_mode, + device=device, + use_cuda_kernels=torch.cuda.is_available(), + ) + return transformer, xmap_torch + + +def run_density_transformer( + transformer: DifferentiableTransformer, + atom_array: AtomArray | AtomArrayStack, +) -> torch.Tensor: + """Run a prebuilt density transformer on an atom array. + + For :class:`~biotite.structure.AtomArrayStack` inputs, density is computed + independently for each model's coordinates and then summed. + + Parameters + ---------- + transformer : DifferentiableTransformer + Prebuilt transformer (see :func:`build_density_transformer`). Inputs + are placed on ``transformer.device``, the returned tensor lives there + as well. + atom_array : AtomArray | AtomArrayStack + Structure to compute density for. + + Returns + ------- + torch.Tensor + Computed electron density on the transformer's grid. + """ + coords, elements, b_factors, occupancies = extract_density_inputs_from_atomarray( + atom_array, transformer.device + ) + + with torch.no_grad(): + density = transformer( + coordinates=coords, + elements=elements, + b_factors=b_factors, + occupancies=occupancies, + ) + + return density.sum(dim=0) + + def compute_density_from_atomarray( atom_array: AtomArray | AtomArrayStack, xmap: XMap | None = None, @@ -100,6 +178,10 @@ def compute_density_from_atomarray( values are taken directly from the structure annotations (shared across models in :class:`~biotite.structure.AtomArrayStack`). + For callers that repeatedly compute density on the same grid, use + :func:`build_density_transformer` and :func:`run_density_transformer` + directly to reuse the expensive transformer setup. + Parameters ---------- atom_array : AtomArray | AtomArrayStack @@ -137,32 +219,6 @@ def compute_density_from_atomarray( if xmap is None: xmap = create_synthetic_grid(atom_array, resolution, padding=5.0) # ty: ignore[invalid-argument-type] (resolution will not be None here) - scattering_params = setup_scattering_params(em_mode=em_mode, device=device) - - xmap_torch = XMap_torch(xmap, device=device) - transformer = DifferentiableTransformer( - xmap=xmap_torch, - scattering_params=scattering_params, - em=em_mode, - device=device, - use_cuda_kernels=torch.cuda.is_available(), - ) - - coords, elements, b_factors, occupancies = extract_density_inputs_from_atomarray( - atom_array, device - ) - - # need to make sure these all have the same batch dimension, or the transformer will fail. - elements = elements.expand(coords.shape[0], -1) - b_factors = b_factors.expand(coords.shape[0], -1) - occupancies = occupancies.expand(coords.shape[0], -1) - - with torch.no_grad(): - density = transformer( - coordinates=coords, - elements=elements, - b_factors=b_factors, - occupancies=occupancies, - ) - - return density.sum(dim=0), xmap_torch + transformer, xmap_torch = build_density_transformer(xmap, em_mode=em_mode, device=device) + density = run_density_transformer(transformer, atom_array) + return density, xmap_torch diff --git a/tests/eval/conftest.py b/tests/eval/conftest.py new file mode 100644 index 00000000..dc172914 --- /dev/null +++ b/tests/eval/conftest.py @@ -0,0 +1,161 @@ +""" +Shared fixtures for `tests/eval/` +""" + +from __future__ import annotations + +from collections.abc import Callable, Sequence +from dataclasses import dataclass +from pathlib import Path + +import pytest + + +_RESOURCES = Path(__file__).resolve().parents[1] / "resources" / "1vme" +_REAL_CCP4_HALF = _RESOURCES / "1VME_0.5occA_0.5occB_1.00A.ccp4" +_REAL_CCP4_QUARTER = _RESOURCES / "1VME_0.25occA_0.75occB_1.00A.ccp4" +_REAL_CIF = _RESOURCES / "1VME_single_001_density_input.cif" +_REAL_RESOLUTION = 1.0 + +# Occupancy pairs used to produce distinct `(protein, occ_key)` groups. +_GROUP_CCP4: tuple[tuple[tuple[float, float], Path], ...] = ( + ((0.5, 0.5), _REAL_CCP4_HALF), + ((0.25, 0.75), _REAL_CCP4_QUARTER), +) +_GROUP_OCCUPANCIES: tuple[tuple[float, float], ...] = tuple(occ for occ, _ in _GROUP_CCP4) + +DEFAULT_SELECTIONS: tuple[str, ...] = ( + "chain A and resi 326-339", + "chain A and resi 326-332", +) + + +@dataclass(frozen=True) +class RsccFixture: + """Paths produced by :func:`rscc_fixture_factory`. + + Attributes + ---------- + root + Top-level directory holding ``inputs/`` and ``grid_search_results/``. + grid_search_results_path + Directory scanned by the script for ``refined.cif`` files. Also + receives the output ``rscc_results.csv``. + grid_search_inputs_path + Directory holding ``protein_configs.csv`` and the shared + ``base_map_dir``. + protein_configs_csv + Path to the one-row ``protein_configs.csv``. + selections + Selection strings configured in the CSV, in order. + groups + Occupancy pairs configured (one per group), in configuration order. + trials_per_group + Number of trial directories created under each protein directory. + """ + + root: Path + grid_search_results_path: Path + grid_search_inputs_path: Path + protein_configs_csv: Path + selections: tuple[str, ...] + groups: tuple[tuple[float, float], ...] + trials_per_group: int + + +def _occ_str(a: float, b: float) -> str: + """Mirror ``occupancy_to_str`` formatting for ``{A: a, B: b}`` pairs.""" + return f"{a}occA_{b}occB" + + +def _link(src: Path, dst: Path) -> None: + """Symlink ``src`` to ``dst``, creating parent dirs and replacing any + existing link. Uses a symlink so the CCP4 is not duplicated per + trial.""" + dst.parent.mkdir(parents=True, exist_ok=True) + if dst.exists() or dst.is_symlink(): + dst.unlink() + dst.symlink_to(src) + + +def _populate( + root: Path, + n_groups: int, + trials_per_group: int, + selections: Sequence[str], +) -> RsccFixture: + assert _REAL_CIF.exists(), _REAL_CIF + assert 1 <= n_groups <= len(_GROUP_CCP4) + assert trials_per_group >= 1 + assert len(selections) >= 1 + + group_entries = _GROUP_CCP4[:n_groups] + groups = tuple(occ for occ, _ in group_entries) + + inputs = root / "inputs" + base_map_dir_rel = Path("1vme_fixture_dir") + base_map_dir = inputs / base_map_dir_rel + + for (a, b), real_ccp4 in group_entries: + assert real_ccp4.exists(), real_ccp4 + s = _occ_str(a, b) + _link(real_ccp4, base_map_dir / f"{s}.ccp4") + _link(_REAL_CIF, base_map_dir / f"{s}.cif") + # Default ``occ_list`` in get_reference_structure_coords looks these up. + for s in ("1.0occA", "1.0occB"): + _link(_REAL_CIF, base_map_dir / f"{s}.cif") + + configs_csv = inputs / "protein_configs.csv" + configs_csv.parent.mkdir(parents=True, exist_ok=True) + configs_csv.write_text( + "protein,base_map_dir,selection,resolution,map_pattern,structure_pattern\n" + f"1vme,{base_map_dir_rel},{';'.join(selections)},{_REAL_RESOLUTION}," + "{occ_str}.ccp4,{occ_str}.cif\n" + ) + + # grid_search_results tree: protein_dir/model_dir/scaler_dir/trial_dir/refined.cif + results_root = root / "grid_search_results" + results_root.mkdir(parents=True, exist_ok=True) + for a, b in groups: + protein_dir = results_root / f"1vme_{_occ_str(a, b)}" + scaler_dir = protein_dir / "BOLTZ_2_bench" / "fk_steering" + for i in range(trials_per_group): + trial_dir = scaler_dir / f"ens2_gw{1.0 + i}" + _link(_REAL_CIF, trial_dir / "refined.cif") + + return RsccFixture( + root=root, + grid_search_results_path=results_root, + grid_search_inputs_path=inputs, + protein_configs_csv=configs_csv, + selections=tuple(selections), + groups=groups, + trials_per_group=trials_per_group, + ) + + +@pytest.fixture +def rscc_fixture_factory( + tmp_path: Path, +) -> Callable[..., RsccFixture]: + """Return a factory that builds an RSCC fixture under ``tmp_path``. + + Parameters: + + - ``n_groups`` (default 2): number of occupancy groups to create. + - ``trials_per_group`` (default 2): trial subdirectories per group. + - ``selections`` (default :data:`DEFAULT_SELECTIONS`): selection strings. + + Tests call the factory once to get a :class:`RsccFixture` whose paths + feed directly into an ``argparse.Namespace`` for the script. + """ + + def _factory( + *, + n_groups: int = 2, + trials_per_group: int = 2, + selections: Sequence[str] = DEFAULT_SELECTIONS, + ) -> RsccFixture: + return _populate(tmp_path, n_groups, trials_per_group, selections) + + return _factory diff --git a/tests/eval/test_rscc_grid_search_script.py b/tests/eval/test_rscc_grid_search_script.py new file mode 100644 index 00000000..7e52a714 --- /dev/null +++ b/tests/eval/test_rscc_grid_search_script.py @@ -0,0 +1,258 @@ +""" +Integration tests for ``scripts/eval/rscc_grid_search_script.py``. +""" + +from __future__ import annotations + +import argparse +import importlib.util +from pathlib import Path + +import numpy as np +import pandas as pd +import pytest + + +_SCRIPT_PATH = ( + Path(__file__).resolve().parents[2] / "scripts" / "eval" / "rscc_grid_search_script.py" +) + + +def _load_script(): + """Import the script module by path so tests don't require it to be + installed on ``sys.path``""" + spec = importlib.util.spec_from_file_location("rscc_grid_search_script", _SCRIPT_PATH) + assert spec is not None and spec.loader is not None + mod = importlib.util.module_from_spec(spec) + spec.loader.exec_module(mod) + return mod + + +@pytest.fixture +def rscc_script(): + return _load_script() + + +def _make_args(fx) -> argparse.Namespace: + return argparse.Namespace( + grid_search_results_path=fx.grid_search_results_path, + grid_search_inputs_path=fx.grid_search_inputs_path, + protein_configs_csv=fx.protein_configs_csv, + occupancies=None, + target_filename="refined.cif", + n_jobs=1, + ) + + +def _read_results(fx) -> pd.DataFrame: + return pd.read_csv(fx.grid_search_results_path / "rscc_results.csv") + + +@pytest.mark.slow +def test_main_end_to_end_produces_csv(rscc_fixture_factory, rscc_script): + """2 groups by 2 trials by 2 selections results in 8 success rows with non-NaN RSCC. + + This is a smoke test. + """ + fx = rscc_fixture_factory(n_groups=2, trials_per_group=2) + + rscc_script.main(_make_args(fx)) + + df = _read_results(fx) + assert len(df) == 2 * 2 * 2 + + expected_cols = { + "protein", + "altloc_occupancies", + "model", + "scaler", + "ensemble_size", + "trial_dir", + "refined_cif_path", + "protein_dir_name", + "selection", + "error", + "rscc", + "base_map_path", + } + assert expected_cols.issubset(df.columns) + + assert df["rscc"].notna().all(), "all RSCC values should be non-NaN on happy path" + assert df["error"].isna().all(), "no error rows expected on happy path" + assert set(df["selection"]) == set(fx.selections) + + +@pytest.mark.slow +def test_trial_parse_failure_emits_error_rows(rscc_fixture_factory, rscc_script, monkeypatch): + """ + Trial level ``parse`` failure results in one NaN-RSCC row per valid selection. + """ + fx = rscc_fixture_factory(n_groups=1, trials_per_group=1) + + real_parse = rscc_script.parse + + def flaky_parse(path, ccd_mirror_path=None): + if "refined" in str(path): + raise RuntimeError("simulated trial parse failure") + return real_parse(path, ccd_mirror_path=ccd_mirror_path) + + monkeypatch.setattr(rscc_script, "parse", flaky_parse) + + rscc_script.main(_make_args(fx)) + + df = _read_results(fx) + assert len(df) == len(fx.selections) + assert df["rscc"].isna().all() + assert df["error"].notna().all() + assert set(df["selection"]) == set(fx.selections) + + +@pytest.mark.slow +def test_per_selection_failure_isolated(rscc_fixture_factory, rscc_script, monkeypatch): + """One selection's RSCC raise must not abort the other selection's row.""" + fx = rscc_fixture_factory(n_groups=1, trials_per_group=1) + bad_selection = fx.selections[0] + + real_rscc = rscc_script.rscc + + def flaky_rscc(a, b, _sel=bad_selection): + if flaky_rscc.target_is_next: # type: ignore[attr-defined] + flaky_rscc.target_is_next = False # type: ignore[attr-defined] + raise RuntimeError("simulated rscc failure") + return real_rscc(a, b) + + # The selection loop calls rscc once per selection, in the order configured + # in the CSV. Fail on the first call (i.e. the first selection). + flaky_rscc.target_is_next = True # type: ignore[attr-defined] + + monkeypatch.setattr(rscc_script, "rscc", flaky_rscc) + + rscc_script.main(_make_args(fx)) + + df = _read_results(fx).set_index("selection") + assert len(df) == len(fx.selections) + assert np.isnan(df.loc[bad_selection, "rscc"]) + assert pd.notna(df.loc[bad_selection, "error"]) + + good_selection = fx.selections[1] + assert not np.isnan(df.loc[good_selection, "rscc"]) + assert pd.isna(df.loc[good_selection, "error"]) + + +@pytest.mark.slow +def test_selections_missing_from_ref_coords_produce_no_row(rscc_fixture_factory, rscc_script): + """Selections absent from the reference structure produce no output row. + + The valid selections still emit rows — the missing one is silently + skipped. Exercises the ``(protein, selection) not in ref_coords`` branch + at the per selection loop. + """ + selections = ( + "chain A and resi 326-339", + "chain A and resi 326-332", + "chain Z and resi 9999-10000", # no atoms in 1vme + ) + fx = rscc_fixture_factory(n_groups=1, trials_per_group=1, selections=selections) + + rscc_script.main(_make_args(fx)) + + df = _read_results(fx) + assert len(df) == 2 + assert set(df["selection"]) == {selections[0], selections[1]} + assert df["rscc"].notna().all() + + +@pytest.mark.slow +def test_caches_evict_on_group_transition(rscc_fixture_factory, rscc_script, monkeypatch): + """``build_density_transformer`` is called once per ``(protein, occ_key)`` + group, not once per trial. Cache should hit inside a group and evict on + transition.""" + fx = rscc_fixture_factory(n_groups=2, trials_per_group=2) + + real_build = rscc_script.build_density_transformer + calls: list[object] = [] + + def counting_build(base_xmap, *args, **kwargs): + calls.append(base_xmap) + return real_build(base_xmap, *args, **kwargs) + + monkeypatch.setattr(rscc_script, "build_density_transformer", counting_build) + + rscc_script.main(_make_args(fx)) + + assert len(calls) == 2, f"expected 2 builds (one per group), got {len(calls)}" + + +@pytest.mark.slow +def test_trials_grouped_by_sort_order(rscc_fixture_factory, rscc_script): + """Output rows for the same ``(protein, occ_key)`` are contiguous and + sorted, so trials aren't interleaved by filesystem scan order.""" + fx = rscc_fixture_factory( + n_groups=2, trials_per_group=2, selections=("chain A and resi 326-339",) + ) + + rscc_script.main(_make_args(fx)) + + df = _read_results(fx) + assert len(df) == 4 + + dir_names = df["protein_dir_name"].tolist() + assert dir_names == sorted(dir_names), ( + f"expected output sorted by (protein, occ_key); got {dir_names}" + ) + + # Same-group rows are contiguous (no interleaving). + group_blocks = [ + dir_names[i] for i in range(len(dir_names)) if i == 0 or dir_names[i] != dir_names[i - 1] + ] + assert len(group_blocks) == len(set(group_blocks)), ( + f"group boundaries repeat — rows are interleaved: {dir_names}" + ) + + +@pytest.mark.slow +def test_cached_base_map_unchanged_across_trials(rscc_fixture_factory, rscc_script, monkeypatch): + """The shared cached ``base_xmap`` must not be mutated across trials. + + The script relies on ``copy.copy(base_xmap)`` producing a wrapper whose + ``.array`` rebind doesn't touch the cached original. Snapshot both the + ``.array`` data and the metadata attributes the shallow copy shares by + reference (``origin``, ``resolution``, ``unit_cell``, ``grid_parameters``) + so that drift in *any* of them across trials is caught, not just inplace + mutation of ``.array``. + """ + fx = rscc_fixture_factory(n_groups=1, trials_per_group=2) + + real_build = rscc_script.build_density_transformer + snapshot: dict[str, object] = {} + + def capturing_build(base_xmap, *args, **kwargs): + if "xmap" not in snapshot: + snapshot["xmap"] = base_xmap + snapshot["initial_array"] = base_xmap.array.copy() + snapshot["initial_origin"] = np.asarray(base_xmap.origin).copy() + snapshot["initial_resolution"] = base_xmap.resolution + snapshot["initial_unit_cell"] = base_xmap.unit_cell + snapshot["initial_grid_parameters"] = base_xmap.grid_parameters + return real_build(base_xmap, *args, **kwargs) + + monkeypatch.setattr(rscc_script, "build_density_transformer", capturing_build) + + rscc_script.main(_make_args(fx)) + + xmap = snapshot["xmap"] + assert np.array_equal(xmap.array, snapshot["initial_array"]), ( # type: ignore[attr-defined] + "cached base_xmap.array was mutated across trials" + ) + assert np.array_equal( # type: ignore[attr-defined] + np.asarray(xmap.origin), snapshot["initial_origin"] + ), "cached base_xmap.origin drifted across trials" + assert xmap.resolution is snapshot["initial_resolution"], ( # type: ignore[attr-defined] + "cached base_xmap.resolution reference replaced" + ) + assert xmap.unit_cell is snapshot["initial_unit_cell"], ( # type: ignore[attr-defined] + "cached base_xmap.unit_cell reference replaced" + ) + assert xmap.grid_parameters is snapshot["initial_grid_parameters"], ( # type: ignore[attr-defined] + "cached base_xmap.grid_parameters reference replaced" + ) diff --git a/tests/resources/1vme/1VME_0.25occA_0.75occB_1.00A.ccp4 b/tests/resources/1vme/1VME_0.25occA_0.75occB_1.00A.ccp4 new file mode 100644 index 00000000..4d23ba87 Binary files /dev/null and b/tests/resources/1vme/1VME_0.25occA_0.75occB_1.00A.ccp4 differ diff --git a/tests/resources/1vme/1VME_0.5occA_0.5occB_1.00A.ccp4 b/tests/resources/1vme/1VME_0.5occA_0.5occB_1.00A.ccp4 new file mode 100644 index 00000000..9d4e854f Binary files /dev/null and b/tests/resources/1vme/1VME_0.5occA_0.5occB_1.00A.ccp4 differ diff --git a/tests/resources/1vme/1VME_single_001_density_input.cif b/tests/resources/1vme/1VME_single_001_density_input.cif new file mode 100644 index 00000000..563d781c --- /dev/null +++ b/tests/resources/1vme/1VME_single_001_density_input.cif @@ -0,0 +1,3580 @@ +data_structure +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A A HIS MSE 0 1 C N . . +2 covale sing A A MSE PRO 1 2 C N . . +3 covale sing A A VAL MSE 145 146 C N . . +4 covale sing A A MSE THR 146 147 C N . . +5 covale sing A A THR MSE 155 156 C N . . +6 covale sing A A MSE VAL 156 157 C N . . +7 covale sing A A SER MSE 262 263 C N . . +8 covale sing A A MSE TYR 263 264 C N . . +9 covale sing A A VAL MSE 270 271 C N . . +10 covale sing A A MSE LYS 271 272 C N . . +11 covale sing A A LEU MSE 325 326 C N . . +12 covale sing A A MSE ARG 326 327 C N . . +13 covale sing A A ASN MSE 380 381 C N . . +14 covale sing A A MSE ASP 381 382 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.occupancy +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +ATOM N N ' ' HIS A 1 -3 . -3 HIS A N 59.65 1.0 7.3190002 30.388 56.944 1 1 +ATOM C CA ' ' HIS A 1 -3 . -3 HIS A CA 62.62 1.0 8.204 29.503002 56.201004 1 2 +ATOM C C ' ' HIS A 1 -3 . -3 HIS A C 49.98 1.0 8.853 28.531002 57.205 1 3 +ATOM O O ' ' HIS A 1 -3 . -3 HIS A O 56.07 1.0 8.762 27.327002 57.029 1 4 +ATOM C CB ' ' HIS A 1 -3 . -3 HIS A CB 54.73 1.0 9.257001 30.297 55.395004 1 5 +ATOM N N ' ' HIS A 1 -2 . -2 HIS A N 39.66 1.0 9.471999 29.027 58.272003 1 6 +ATOM C CA ' ' HIS A 1 -2 . -2 HIS A CA 40.8 1.0 10.191001 28.152 59.188004 1 7 +ATOM C C ' ' HIS A 1 -2 . -2 HIS A C 43.35 1.0 9.325999 27.755001 60.376 1 8 +ATOM O O ' ' HIS A 1 -2 . -2 HIS A O 50.65 1.0 8.807 28.614002 61.093002 1 9 +ATOM C CB ' ' HIS A 1 -2 . -2 HIS A CB 40.66 1.0 11.500001 28.809002 59.637 1 10 +ATOM C CG ' ' HIS A 1 -2 . -2 HIS A CG 42.19 1.0 12.514001 28.813002 58.548004 1 11 +ATOM N ND1 ' ' HIS A 1 -2 . -2 HIS A ND1 54.11 1.0 12.750001 29.916 57.756004 1 12 +ATOM C CD2 ' ' HIS A 1 -2 . -2 HIS A CD2 45.42 1.0 13.251 27.808002 58.024002 1 13 +ATOM C CE1 ' ' HIS A 1 -2 . -2 HIS A CE1 48.93 1.0 13.636001 29.605001 56.826004 1 14 +ATOM N NE2 ' ' HIS A 1 -2 . -2 HIS A NE2 54.22 1.0 13.955001 28.330002 56.966003 1 15 +ATOM N N ' ' HIS A 1 -1 . -1 HIS A N 37.35 1.0 9.21 26.447002 60.608 1 16 +ATOM C CA ' ' HIS A 1 -1 . -1 HIS A CA 42.55 1.0 8.368 25.949001 61.691 1 17 +ATOM C C ' ' HIS A 1 -1 . -1 HIS A C 51.55 1.0 9.098001 25.802002 63.031998 1 18 +ATOM O O ' ' HIS A 1 -1 . -1 HIS A O 44.78 1.0 8.429 25.664001 64.067 1 19 +ATOM C CB ' ' HIS A 1 -1 . -1 HIS A CB 42.97 1.0 7.745 24.603 61.28 1 20 +ATOM C CG ' ' HIS A 1 -1 . -1 HIS A CG 42.9 1.0 6.8719997 24.698002 60.067 1 21 +ATOM N ND1 ' ' HIS A 1 -1 . -1 HIS A ND1 43.5 1.0 5.4969997 24.801003 60.139 1 22 +ATOM C CD2 ' ' HIS A 1 -1 . -1 HIS A CD2 41.69 1.0 7.184 24.738003 58.748 1 23 +ATOM C CE1 ' ' HIS A 1 -1 . -1 HIS A CE1 43.66 1.0 5.0 24.883001 58.919 1 24 +ATOM N NE2 ' ' HIS A 1 -1 . -1 HIS A NE2 48.52 1.0 6.0010004 24.859001 58.055 1 25 +ATOM N N ' ' HIS A 1 0 . 0 HIS A N 46.66 1.0 10.434001 25.845001 63.058 1 26 +ATOM C CA ' ' HIS A 1 0 . 0 HIS A CA 47.42 1.0 11.195001 25.623001 64.288 1 27 +ATOM C C ' ' HIS A 1 0 . 0 HIS A C 45.93 1.0 12.38 26.576 64.362 1 28 +ATOM O O ' ' HIS A 1 0 . 0 HIS A O 35.17 1.0 12.86 27.084002 63.346 1 29 +ATOM C CB ' ' HIS A 1 0 . 0 HIS A CB 46.18 1.0 11.714999 24.18 64.39 1 30 +ATOM C CG ' ' HIS A 1 0 . 0 HIS A CG 66.2 1.0 10.655 23.132002 64.201004 1 31 +ATOM N ND1 ' ' HIS A 1 0 . 0 HIS A ND1 68.38 1.0 9.572 22.997002 65.048004 1 32 +ATOM C CD2 ' ' HIS A 1 0 . 0 HIS A CD2 62.44 1.0 10.5199995 22.164001 63.262 1 33 +ATOM C CE1 ' ' HIS A 1 0 . 0 HIS A CE1 66.8 1.0 8.814 21.997002 64.634 1 34 +ATOM N NE2 ' ' HIS A 1 0 . 0 HIS A NE2 69.16 1.0 9.367 21.473001 63.553 1 35 +HETATM N N ' ' MSE A 1 1 . 1 MSE A N 41.54 1.0 12.870999 26.780003 65.581 1 36 +HETATM C C ' ' MSE A 1 1 . 1 MSE A C 37.66 1.0 15.301 26.831001 65.217 1 37 +HETATM O O ' ' MSE A 1 1 . 1 MSE A O 28.82 1.0 15.290999 25.613003 65.12 1 38 +HETATM C CA A MSE A 1 1 . 1 MSE A CA 42.2 0.5 14.106 27.547 65.827 1 39 +HETATM C CB A MSE A 1 1 . 1 MSE A CB 44.48 0.5 14.376 27.730001 67.318 1 40 +HETATM C CG A MSE A 1 1 . 1 MSE A CG 52.86 0.5 13.169999 27.721 68.239 1 41 +HETATM Se SE A MSE A 1 1 . 1 MSE A SE 85.0 0.5 13.751 27.719002 70.117004 1 42 +HETATM C CE A MSE A 1 1 . 1 MSE A CE 42.73 0.5 14.606 25.964 70.203 1 43 +HETATM C CA B MSE A 1 1 . 1 MSE A CA 42.2 0.5 14.091001 27.561 65.795 1 44 +HETATM C CB B MSE A 1 1 . 1 MSE A CB 44.47 0.5 14.286 27.821001 67.279 1 45 +HETATM C CG B MSE A 1 1 . 1 MSE A CG 53.92 0.5 13.199 28.701002 67.872 1 46 +HETATM Se SE B MSE A 1 1 . 1 MSE A SE 80.3 0.5 13.450999 30.542002 67.312004 1 47 +HETATM C CE B MSE A 1 1 . 1 MSE A CE 53.49 0.5 15.103 30.885002 68.362 1 48 +ATOM N N ' ' PRO A 1 2 . 2 PRO A N 35.32 1.0 16.339 27.572002 64.821 1 49 +ATOM C CA ' ' PRO A 1 2 . 2 PRO A CA 29.78 1.0 17.564 26.910002 64.339005 1 50 +ATOM C C ' ' PRO A 1 2 . 2 PRO A C 27.57 1.0 18.071 25.888 65.346 1 51 +ATOM O O ' ' PRO A 1 2 . 2 PRO A O 25.42 1.0 18.05 26.116001 66.548004 1 52 +ATOM C CB ' ' PRO A 1 2 . 2 PRO A CB 33.61 1.0 18.563 28.070002 64.19 1 53 +ATOM C CG ' ' PRO A 1 2 . 2 PRO A CG 37.78 1.0 17.655998 29.275002 63.864 1 54 +ATOM C CD ' ' PRO A 1 2 . 2 PRO A CD 39.73 1.0 16.441002 29.044003 64.751 1 55 +ATOM N N ' ' LYS A 1 3 . 3 LYS A N 24.03 1.0 18.512001 24.755001 64.839005 1 56 +ATOM C CA ' ' LYS A 1 3 . 3 LYS A CA 23.54 1.0 19.080002 23.707 65.677 1 57 +ATOM C C ' ' LYS A 1 3 . 3 LYS A C 24.82 1.0 20.426998 24.146002 66.246 1 58 +ATOM O O ' ' LYS A 1 3 . 3 LYS A O 21.57 1.0 21.286 24.670002 65.514 1 59 +ATOM C CB ' ' LYS A 1 3 . 3 LYS A CB 23.78 1.0 19.278 22.437 64.852 1 60 +ATOM C CG ' ' LYS A 1 3 . 3 LYS A CG 27.78 1.0 19.883 21.298 65.686005 1 61 +ATOM C CD ' ' LYS A 1 3 . 3 LYS A CD 31.6 1.0 19.990002 20.016003 64.857 1 62 +ATOM C CE ' ' LYS A 1 3 . 3 LYS A CE 47.63 1.0 20.261002 18.833002 65.804 1 63 +ATOM N NZ ' ' LYS A 1 3 . 3 LYS A NZ 44.39 1.0 20.312 17.475002 65.141 1 64 +ATOM N N ' ' ILE A 1 4 . 4 ILE A N 20.76 1.0 20.625 23.929 67.552 1 65 +ATOM C CA ' ' ILE A 1 4 . 4 ILE A CA 19.74 1.0 21.866001 24.314001 68.228004 1 66 +ATOM C C ' ' ILE A 1 4 . 4 ILE A C 25.01 1.0 22.511002 23.070002 68.817 1 67 +ATOM O O ' ' ILE A 1 4 . 4 ILE A O 26.36 1.0 21.819 22.209002 69.377 1 68 +ATOM C CB ' ' ILE A 1 4 . 4 ILE A CB 21.83 1.0 21.583 25.361 69.315 1 69 +ATOM C CG1 ' ' ILE A 1 4 . 4 ILE A CG1 26.56 1.0 21.205002 26.710001 68.642 1 70 +ATOM C CG2 ' ' ILE A 1 4 . 4 ILE A CG2 21.39 1.0 22.831001 25.497002 70.249 1 71 +ATOM C CD1 ' ' ILE A 1 4 . 4 ILE A CD1 33.33 1.0 20.619 27.691002 69.618004 1 72 +ATOM N N ' ' TRP A 1 5 . 5 TRP A N 20.02 1.0 23.823002 22.935001 68.643 1 73 +ATOM C CA ' ' TRP A 1 5 . 5 TRP A CA 20.62 1.0 24.539001 21.791 69.166 1 74 +ATOM C C ' ' TRP A 1 5 . 5 TRP A C 23.62 1.0 25.496998 22.341002 70.205 1 75 +ATOM O O ' ' TRP A 1 5 . 5 TRP A O 22.15 1.0 26.184998 23.330002 69.953 1 76 +ATOM C CB ' ' TRP A 1 5 . 5 TRP A CB 22.81 1.0 25.358997 21.064001 68.093 1 77 +ATOM C CG ' ' TRP A 1 5 . 5 TRP A CG 24.07 1.0 24.719002 20.683002 66.821 1 78 +ATOM C CD1 ' ' TRP A 1 5 . 5 TRP A CD1 20.55 1.0 24.175 21.508001 65.864 1 79 +ATOM C CD2 ' ' TRP A 1 5 . 5 TRP A CD2 26.91 1.0 24.641998 19.359001 66.303 1 80 +ATOM N NE1 ' ' TRP A 1 5 . 5 TRP A NE1 23.55 1.0 23.748001 20.756 64.804 1 81 +ATOM C CE2 ' ' TRP A 1 5 . 5 TRP A CE2 24.85 1.0 24.029999 19.437 65.044 1 82 +ATOM C CE3 ' ' TRP A 1 5 . 5 TRP A CE3 30.47 1.0 25.061 18.106 66.785 1 83 +ATOM C CZ2 ' ' TRP A 1 5 . 5 TRP A CZ2 31.0 1.0 23.786 18.313002 64.255005 1 84 +ATOM C CZ3 ' ' TRP A 1 5 . 5 TRP A CZ3 25.86 1.0 24.821999 16.989002 65.992004 1 85 +ATOM C CH2 ' ' TRP A 1 5 . 5 TRP A CH2 32.08 1.0 24.178001 17.105001 64.74 1 86 +ATOM N N ' ' THR A 1 6 . 6 THR A N 23.82 1.0 25.585 21.7 71.366005 1 87 +ATOM C CA ' ' THR A 1 6 . 6 THR A CA 20.57 1.0 26.564999 22.131 72.36 1 88 +ATOM C C ' ' THR A 1 6 . 6 THR A C 29.53 1.0 27.092999 20.844002 72.943 1 89 +ATOM O O ' ' THR A 1 6 . 6 THR A O 31.55 1.0 26.32 20.073002 73.503 1 90 +ATOM C CB ' ' THR A 1 6 . 6 THR A CB 35.25 1.0 25.969997 23.021002 73.463 1 91 +ATOM O OG1 ' ' THR A 1 6 . 6 THR A OG1 47.96 1.0 24.828999 22.381 74.024 1 92 +ATOM C CG2 ' ' THR A 1 6 . 6 THR A CG2 25.33 1.0 25.555 24.366001 72.942 1 93 +ATOM N N ' ' GLU A 1 7 . 7 GLU A N 25.06 1.0 28.370998 20.576 72.743004 1 94 +ATOM C CA ' ' GLU A 1 7 . 7 GLU A CA 29.68 1.0 28.869999 19.251001 73.025 1 95 +ATOM C C ' ' GLU A 1 7 . 7 GLU A C 27.58 1.0 30.327 19.348001 73.382 1 96 +ATOM O O ' ' GLU A 1 7 . 7 GLU A O 23.11 1.0 31.087997 20.075 72.754 1 97 +ATOM C CB ' ' GLU A 1 7 . 7 GLU A CB 32.43 1.0 28.679 18.336002 71.803 1 98 +ATOM C CG ' ' GLU A 1 7 . 7 GLU A CG 39.21 1.0 29.092 16.94 72.059 1 99 +ATOM C CD ' ' GLU A 1 7 . 7 GLU A CD 61.42 1.0 28.510998 15.981001 71.032 1 100 +ATOM O OE1 ' ' GLU A 1 7 . 7 GLU A OE1 55.97 1.0 27.351997 16.216002 70.616005 1 101 +ATOM O OE2 ' ' GLU A 1 7 . 7 GLU A OE2 60.8 1.0 29.210999 15.007002 70.646 1 102 +ATOM N N ' ' ARG A 1 8 . 8 ARG A N 23.94 1.0 30.737 18.599 74.394005 1 103 +ATOM C CA ' ' ARG A 1 8 . 8 ARG A CA 22.05 1.0 32.153 18.483002 74.635 1 104 +ATOM C C ' ' ARG A 1 8 . 8 ARG A C 24.98 1.0 32.737 17.559002 73.567 1 105 +ATOM O O ' ' ARG A 1 8 . 8 ARG A O 27.85 1.0 32.233997 16.449001 73.344 1 106 +ATOM C CB ' ' ARG A 1 8 . 8 ARG A CB 26.22 1.0 32.384 17.918001 76.057 1 107 +ATOM C CG ' ' ARG A 1 8 . 8 ARG A CG 27.23 1.0 33.816998 17.800001 76.408005 1 108 +ATOM C CD ' ' ARG A 1 8 . 8 ARG A CD 33.67 1.0 34.036 17.414001 77.952 1 109 +ATOM N NE ' ' ARG A 1 8 . 8 ARG A NE 44.15 1.0 33.215 16.276001 78.355 1 110 +ATOM N N ' ' ILE A 1 9 . 9 ILE A N 21.14 1.0 33.79 18.000002 72.888 1 111 +ATOM C CA ' ' ILE A 1 9 . 9 ILE A CA 23.34 1.0 34.355 17.195002 71.815 1 112 +ATOM C C ' ' ILE A 1 9 . 9 ILE A C 23.61 1.0 35.747997 16.711002 72.106 1 113 +ATOM O O ' ' ILE A 1 9 . 9 ILE A O 25.04 1.0 36.254997 15.870001 71.346 1 114 +ATOM C CB ' ' ILE A 1 9 . 9 ILE A CB 25.83 1.0 34.343998 17.95 70.465004 1 115 +ATOM C CG1 ' ' ILE A 1 9 . 9 ILE A CG1 24.9 1.0 34.972 19.337002 70.62 1 116 +ATOM C CG2 ' ' ILE A 1 9 . 9 ILE A CG2 23.71 1.0 32.86 17.983002 69.878 1 117 +ATOM C CD1 ' ' ILE A 1 9 . 9 ILE A CD1 23.48 1.0 35.217 20.093002 69.236 1 118 +ATOM N N ' ' PHE A 1 10 . 10 PHE A N 24.05 1.0 36.406998 17.228 73.151 1 119 +ATOM C CA ' ' PHE A 1 10 . 10 PHE A CA 25.97 1.0 37.695 16.714 73.551 1 120 +ATOM C C ' ' PHE A 1 10 . 10 PHE A C 30.91 1.0 37.73 16.770002 75.065 1 121 +ATOM O O ' ' PHE A 1 10 . 10 PHE A O 25.52 1.0 37.062 17.591002 75.68 1 122 +ATOM C CB ' ' PHE A 1 10 . 10 PHE A CB 24.11 1.0 38.909 17.483002 73.042 1 123 +ATOM C CG ' ' PHE A 1 10 . 10 PHE A CG 28.42 1.0 39.21 17.271002 71.585 1 124 +ATOM C CD1 ' ' PHE A 1 10 . 10 PHE A CD1 27.46 1.0 39.982998 16.205002 71.181 1 125 +ATOM C CD2 ' ' PHE A 1 10 . 10 PHE A CD2 27.76 1.0 38.661 18.135002 70.614 1 126 +ATOM C CE1 ' ' PHE A 1 10 . 10 PHE A CE1 34.05 1.0 40.279 16.003002 69.864 1 127 +ATOM C CE2 ' ' PHE A 1 10 . 10 PHE A CE2 27.11 1.0 38.944 17.926 69.261 1 128 +ATOM C CZ ' ' PHE A 1 10 . 10 PHE A CZ 31.39 1.0 39.749 16.853 68.893 1 129 +ATOM N N ' ' ASP A 1 11 . 11 ASP A N 31.32 1.0 38.51 15.8810005 75.65 1 130 +ATOM C CA ' ' ASP A 1 11 . 11 ASP A CA 38.56 1.0 38.566998 15.825001 77.1 1 131 +ATOM C C ' ' ASP A 1 11 . 11 ASP A C 30.99 1.0 39.77 16.545002 77.65 1 132 +ATOM O O ' ' ASP A 1 11 . 11 ASP A O 41.4 1.0 39.651 17.260002 78.64 1 133 +ATOM C CB ' ' ASP A 1 11 . 11 ASP A CB 42.15 1.0 38.552998 14.363001 77.562004 1 134 +ATOM C CG ' ' ASP A 1 11 . 11 ASP A CG 52.91 1.0 37.142 13.833002 77.717 1 135 +ATOM O OD1 ' ' ASP A 1 11 . 11 ASP A OD1 56.24 1.0 36.225998 14.668001 77.891 1 136 +ATOM O OD2 ' ' ASP A 1 11 . 11 ASP A OD2 73.26 1.0 36.944 12.596001 77.663 1 137 +ATOM N N ' ' ASP A 1 12 . 12 ASP A N 33.58 1.0 40.912 16.438002 76.975 1 138 +ATOM C CA ' ' ASP A 1 12 . 12 ASP A CA 42.03 1.0 42.127 17.129002 77.353004 1 139 +ATOM C C ' ' ASP A 1 12 . 12 ASP A C 41.69 1.0 42.818 17.580002 76.071 1 140 +ATOM O O ' ' ASP A 1 12 . 12 ASP A O 43.85 1.0 43.314 16.746002 75.299 1 141 +ATOM C CB ' ' ASP A 1 12 . 12 ASP A CB 48.21 1.0 43.026 16.208002 78.199 1 142 +ATOM C CG ' ' ASP A 1 12 . 12 ASP A CG 56.25 1.0 44.315998 16.872002 78.631004 1 143 +ATOM O OD1 ' ' ASP A 1 12 . 12 ASP A OD1 55.87 1.0 44.353 18.112001 78.751 1 144 +ATOM O OD2 ' ' ASP A 1 12 . 12 ASP A OD2 68.15 1.0 45.301 16.137001 78.863 1 145 +ATOM N N ' ' PRO A 1 13 . 13 PRO A N 39.11 1.0 42.814 18.885002 75.769005 1 146 +ATOM C CA ' ' PRO A 1 13 . 13 PRO A CA 35.88 1.0 42.14 19.975002 76.487 1 147 +ATOM C C ' ' PRO A 1 13 . 13 PRO A C 28.79 1.0 40.628998 19.776001 76.516 1 148 +ATOM O O ' ' PRO A 1 13 . 13 PRO A O 27.1 1.0 40.037 19.076002 75.672005 1 149 +ATOM C CB ' ' PRO A 1 13 . 13 PRO A CB 36.8 1.0 42.501 21.223001 75.663 1 150 +ATOM C CG ' ' PRO A 1 13 . 13 PRO A CG 37.27 1.0 43.586 20.786001 74.701004 1 151 +ATOM C CD ' ' PRO A 1 13 . 13 PRO A CD 33.65 1.0 43.379997 19.333 74.488 1 152 +ATOM N N ' ' GLU A 1 14 . 14 GLU A N 27.79 1.0 39.966 20.351002 77.497 1 153 +ATOM C CA ' ' GLU A 1 14 . 14 GLU A CA 27.53 1.0 38.523 20.263 77.555 1 154 +ATOM C C ' ' GLU A 1 14 . 14 GLU A C 21.32 1.0 37.953 21.294003 76.56 1 155 +ATOM O O ' ' GLU A 1 14 . 14 GLU A O 21.49 1.0 38.113 22.505001 76.758 1 156 +ATOM C CB ' ' GLU A 1 14 . 14 GLU A CB 24.99 1.0 38.057 20.551003 78.964005 1 157 +ATOM C CG ' ' GLU A 1 14 . 14 GLU A CG 29.93 1.0 36.561 20.285002 79.123 1 158 +ATOM C CD ' ' GLU A 1 14 . 14 GLU A CD 41.88 1.0 36.139 20.554 80.58 1 159 +ATOM O OE1 ' ' GLU A 1 14 . 14 GLU A OE1 48.17 1.0 37.011997 20.406002 81.481 1 160 +ATOM O OE2 ' ' GLU A 1 14 . 14 GLU A OE2 34.67 1.0 34.990997 20.957 80.836 1 161 +ATOM N N ' ' ILE A 1 15 . 15 ILE A N 23.58 1.0 37.34 20.816002 75.477 1 162 +ATOM C CA ' ' ILE A 1 15 . 15 ILE A CA 19.79 1.0 36.886997 21.696001 74.377 1 163 +ATOM C C ' ' ILE A 1 15 . 15 ILE A C 19.61 1.0 35.437 21.416 74.102 1 164 +ATOM O O ' ' ILE A 1 15 . 15 ILE A O 20.21 1.0 35.065 20.254002 73.927 1 165 +ATOM C CB ' ' ILE A 1 15 . 15 ILE A CB 19.94 1.0 37.704 21.456001 73.097 1 166 +ATOM C CG1 ' ' ILE A 1 15 . 15 ILE A CG1 25.81 1.0 39.159 21.867 73.386 1 167 +ATOM C CG2 ' ' ILE A 1 15 . 15 ILE A CG2 19.68 1.0 37.135998 22.302002 71.815 1 168 +ATOM C CD1 ' ' ILE A 1 15 . 15 ILE A CD1 24.86 1.0 40.129997 21.446001 72.296 1 169 +ATOM N N ' ' TYR A 1 16 . 16 TYR A N 18.23 1.0 34.607 22.488003 74.017 1 170 +ATOM C CA ' ' TYR A 1 16 . 16 TYR A CA 16.95 1.0 33.218998 22.383001 73.659004 1 171 +ATOM C C ' ' TYR A 1 16 . 16 TYR A C 17.91 1.0 33.049 23.027 72.28 1 172 +ATOM O O ' ' TYR A 1 16 . 16 TYR A O 18.82 1.0 33.690998 24.030003 72.009 1 173 +ATOM C CB ' ' TYR A 1 16 . 16 TYR A CB 22.8 1.0 32.358997 23.153002 74.669 1 174 +ATOM C CG ' ' TYR A 1 16 . 16 TYR A CG 25.74 1.0 32.385 22.469002 76.03 1 175 +ATOM C CD1 ' ' TYR A 1 16 . 16 TYR A CD1 28.29 1.0 33.459 22.649002 76.896 1 176 +ATOM C CD2 ' ' TYR A 1 16 . 16 TYR A CD2 26.53 1.0 31.329998 21.618002 76.393 1 177 +ATOM C CE1 ' ' TYR A 1 16 . 16 TYR A CE1 32.59 1.0 33.493 21.984001 78.152 1 178 +ATOM C CE2 ' ' TYR A 1 16 . 16 TYR A CE2 35.29 1.0 31.347 20.952002 77.641 1 179 +ATOM C CZ ' ' TYR A 1 16 . 16 TYR A CZ 35.17 1.0 32.427 21.158 78.494 1 180 +ATOM O OH ' ' TYR A 1 16 . 16 TYR A OH 40.35 1.0 32.462997 20.533 79.717 1 181 +ATOM N N ' ' VAL A 1 17 . 17 VAL A N 18.01 1.0 32.207 22.460001 71.432 1 182 +ATOM C CA ' ' VAL A 1 17 . 17 VAL A CA 17.07 1.0 31.73 23.198002 70.252 1 183 +ATOM C C ' ' VAL A 1 17 . 17 VAL A C 19.09 1.0 30.355 23.765001 70.557 1 184 +ATOM O O ' ' VAL A 1 17 . 17 VAL A O 21.54 1.0 29.529999 23.104 71.208 1 185 +ATOM C CB ' ' VAL A 1 17 . 17 VAL A CB 18.07 1.0 31.705997 22.301003 69.001 1 186 +ATOM C CG1 ' ' VAL A 1 17 . 17 VAL A CG1 22.38 1.0 30.82 21.02 69.195 1 187 +ATOM C CG2 ' ' VAL A 1 17 . 17 VAL A CG2 17.3 1.0 31.207 23.117 67.726 1 188 +ATOM N N ' ' LEU A 1 18 . 18 LEU A N 18.13 1.0 30.083 25.002003 70.056 1 189 +ATOM C CA ' ' LEU A 1 18 . 18 LEU A CA 14.38 1.0 28.773998 25.617 70.059 1 190 +ATOM C C ' ' LEU A 1 18 . 18 LEU A C 12.18 1.0 28.461998 25.835001 68.573 1 191 +ATOM O O ' ' LEU A 1 18 . 18 LEU A O 16.44 1.0 29.107998 26.684002 67.942 1 192 +ATOM C CB ' ' LEU A 1 18 . 18 LEU A CB 18.72 1.0 28.765 26.955002 70.788 1 193 +ATOM C CG ' ' LEU A 1 18 . 18 LEU A CG 23.54 1.0 29.27 26.763 72.268 1 194 +ATOM C CD1 ' ' LEU A 1 18 . 18 LEU A CD1 25.91 1.0 30.672 27.325 72.333 1 195 +ATOM C CD2 ' ' LEU A 1 18 . 18 LEU A CD2 35.46 1.0 28.343998 27.510002 73.217 1 196 +ATOM N N ' ' ARG A 1 19 . 19 ARG A N 15.22 1.0 27.557999 25.035002 68.036 1 197 +ATOM C CA ' ' ARG A 1 19 . 19 ARG A CA 17.44 1.0 27.25 25.125002 66.603004 1 198 +ATOM C C ' ' ARG A 1 19 . 19 ARG A C 17.32 1.0 25.794998 25.517002 66.42 1 199 +ATOM O O ' ' ARG A 1 19 . 19 ARG A O 18.87 1.0 24.886002 24.927002 67.041 1 200 +ATOM C CB ' ' ARG A 1 19 . 19 ARG A CB 16.56 1.0 27.568 23.760002 65.919 1 201 +ATOM C CG ' ' ARG A 1 19 . 19 ARG A CG 17.06 1.0 26.904 23.575 64.532 1 202 +ATOM C CD ' ' ARG A 1 19 . 19 ARG A CD 15.25 1.0 27.376 22.228 63.888 1 203 +ATOM N NE ' ' ARG A 1 19 . 19 ARG A NE 18.9 1.0 26.377998 21.884003 62.849 1 204 +ATOM C CZ ' ' ARG A 1 19 . 19 ARG A CZ 19.7 1.0 26.224998 20.670002 62.334 1 205 +ATOM N NH1 ' ' ARG A 1 19 . 19 ARG A NH1 19.41 1.0 27.133999 19.739002 62.529 1 206 +ATOM N NH2 ' ' ARG A 1 19 . 19 ARG A NH2 20.46 1.0 25.126999 20.398003 61.590004 1 207 +ATOM N N ' ' ILE A 1 20 . 20 ILE A N 15.77 1.0 25.528 26.467003 65.522 1 208 +ATOM C CA ' ' ILE A 1 20 . 20 ILE A CA 14.78 1.0 24.141998 26.759003 65.177 1 209 +ATOM C C ' ' ILE A 1 20 . 20 ILE A C 17.22 1.0 23.959 26.533 63.688004 1 210 +ATOM O O ' ' ILE A 1 20 . 20 ILE A O 15.97 1.0 24.862999 26.809002 62.902 1 211 +ATOM C CB ' ' ILE A 1 20 . 20 ILE A CB 17.05 1.0 23.709 28.184002 65.58 1 212 +ATOM C CG1 ' ' ILE A 1 20 . 20 ILE A CG1 20.66 1.0 22.209 28.409 65.238 1 213 +ATOM C CG2 ' ' ILE A 1 20 . 20 ILE A CG2 16.38 1.0 24.564 29.255001 64.875 1 214 +ATOM C CD1 ' ' ILE A 1 20 . 20 ILE A CD1 19.07 1.0 21.676998 29.644001 65.96 1 215 +ATOM N N ' ' ASP A 1 21 . 21 ASP A N 16.18 1.0 22.834 25.928001 63.319 1 216 +ATOM C CA ' ' ASP A 1 21 . 21 ASP A CA 14.78 1.0 22.596 25.530003 61.924004 1 217 +ATOM C C ' ' ASP A 1 21 . 21 ASP A C 22.48 1.0 21.701 26.596 61.300003 1 218 +ATOM O O ' ' ASP A 1 21 . 21 ASP A O 19.41 1.0 20.502998 26.640001 61.561005 1 219 +ATOM C CB ' ' ASP A 1 21 . 21 ASP A CB 15.12 1.0 21.955002 24.144001 61.895004 1 220 +ATOM C CG ' ' ASP A 1 21 . 21 ASP A CG 25.11 1.0 22.945 23.046001 62.228004 1 221 +ATOM O OD1 ' ' ASP A 1 21 . 21 ASP A OD1 22.43 1.0 24.152 23.367 62.380005 1 222 +ATOM O OD2 ' ' ASP A 1 21 . 21 ASP A OD2 22.75 1.0 22.522999 21.862001 62.29 1 223 +ATOM N N ' ' ASP A 1 22 . 22 ASP A N 17.09 1.0 22.283 27.455002 60.472 1 224 +ATOM C CA ' ' ASP A 1 22 . 22 ASP A CA 15.57 1.0 21.522 28.555 59.876 1 225 +ATOM C C ' ' ASP A 1 22 . 22 ASP A C 21.51 1.0 20.756 28.012001 58.681 1 226 +ATOM O O ' ' ASP A 1 22 . 22 ASP A O 17.04 1.0 21.327 27.810001 57.605003 1 227 +ATOM C CB ' ' ASP A 1 22 . 22 ASP A CB 18.08 1.0 22.467 29.679 59.446 1 228 +ATOM C CG ' ' ASP A 1 22 . 22 ASP A CG 18.87 1.0 21.733002 30.970001 59.118004 1 229 +ATOM O OD1 ' ' ASP A 1 22 . 22 ASP A OD1 22.65 1.0 20.473999 30.913002 59.083 1 230 +ATOM O OD2 ' ' ASP A 1 22 . 22 ASP A OD2 19.5 1.0 22.395 32.036003 58.912003 1 231 +ATOM N N ' ' ASP A 1 23 . 23 ASP A N 18.79 1.0 19.473999 27.723001 58.883003 1 232 +ATOM C CA ' ' ASP A 1 23 . 23 ASP A CA 23.53 1.0 18.603 27.318 57.791 1 233 +ATOM C C ' ' ASP A 1 23 . 23 ASP A C 23.45 1.0 17.682999 28.452002 57.369003 1 234 +ATOM O O ' ' ASP A 1 23 . 23 ASP A O 24.94 1.0 16.754002 28.232002 56.590004 1 235 +ATOM C CB ' ' ASP A 1 23 . 23 ASP A CB 25.18 1.0 17.812 26.056002 58.164 1 236 +ATOM C CG ' ' ASP A 1 23 . 23 ASP A CG 34.59 1.0 16.945 26.259003 59.387 1 237 +ATOM O OD1 ' ' ASP A 1 23 . 23 ASP A OD1 31.69 1.0 16.972 27.356 59.985 1 238 +ATOM O OD2 ' ' ASP A 1 23 . 23 ASP A OD2 44.05 1.0 16.245998 25.303001 59.775 1 239 +ATOM N N ' ' ARG A 1 24 . 24 ARG A N 18.19 1.0 17.904999 29.656002 57.888 1 240 +ATOM C CA ' ' ARG A 1 24 . 24 ARG A CA 20.65 1.0 17.220001 30.885002 57.507004 1 241 +ATOM C C ' ' ARG A 1 24 . 24 ARG A C 22.03 1.0 17.873001 31.537 56.300003 1 242 +ATOM O O ' ' ARG A 1 24 . 24 ARG A O 23.12 1.0 17.185001 31.990002 55.369003 1 243 +ATOM C CB ' ' ARG A 1 24 . 24 ARG A CB 28.55 1.0 17.215 31.875002 58.660004 1 244 +ATOM C CG ' ' ARG A 1 24 . 24 ARG A CG 35.8 1.0 15.962001 31.848001 59.513 1 245 +ATOM C CD ' ' ARG A 1 24 . 24 ARG A CD 40.56 1.0 15.881 30.612001 60.337997 1 246 +ATOM N NE ' ' ARG A 1 24 . 24 ARG A NE 45.66 1.0 14.742 30.637001 61.255005 1 247 +ATOM C CZ ' ' ARG A 1 24 . 24 ARG A CZ 44.96 1.0 14.265 29.561 61.868004 1 248 +ATOM N NH1 ' ' ARG A 1 24 . 24 ARG A NH1 35.97 1.0 14.790999 28.354002 61.662003 1 249 +ATOM N NH2 ' ' ARG A 1 24 . 24 ARG A NH2 45.8 1.0 13.223001 29.692001 62.691 1 250 +ATOM N N ' ' ILE A 1 25 . 25 ILE A N 20.76 1.0 19.2 31.584002 56.303 1 251 +ATOM C CA ' ' ILE A 1 25 . 25 ILE A CA 16.4 1.0 19.939999 32.228 55.216003 1 252 +ATOM C C ' ' ILE A 1 25 . 25 ILE A C 21.78 1.0 19.686 31.543001 53.892998 1 253 +ATOM O O ' ' ILE A 1 25 . 25 ILE A O 22.7 1.0 19.546001 30.315002 53.792 1 254 +ATOM C CB ' ' ILE A 1 25 . 25 ILE A CB 21.11 1.0 21.432999 32.264 55.584 1 255 +ATOM C CG1 ' ' ILE A 1 25 . 25 ILE A CG1 20.03 1.0 22.279999 33.087 54.597 1 256 +ATOM C CG2 ' ' ILE A 1 25 . 25 ILE A CG2 18.26 1.0 21.973 30.850002 55.655 1 257 +ATOM C CD1 ' ' ILE A 1 25 . 25 ILE A CD1 20.23 1.0 23.633 33.475002 55.258003 1 258 +ATOM N N ' ' ARG A 1 26 . 26 ARG A N 16.98 1.0 19.536999 32.354 52.854004 1 259 +ATOM C CA ' ' ARG A 1 26 . 26 ARG A CA 16.69 1.0 19.323002 31.849 51.501 1 260 +ATOM C C ' ' ARG A 1 26 . 26 ARG A C 16.51 1.0 20.5 32.13 50.568 1 261 +ATOM O O ' ' ARG A 1 26 . 26 ARG A O 15.82 1.0 20.803001 31.297 49.684998 1 262 +ATOM C CB ' ' ARG A 1 26 . 26 ARG A CB 19.87 1.0 18.068 32.507 50.915 1 263 +ATOM C CG ' ' ARG A 1 26 . 26 ARG A CG 28.15 1.0 16.793 32.132 51.764 1 264 +ATOM C CD ' ' ARG A 1 26 . 26 ARG A CD 33.39 1.0 15.488999 32.690002 51.112 1 265 +ATOM N NE ' ' ARG A 1 26 . 26 ARG A NE 46.66 1.0 15.308 31.993002 49.850998 1 266 +ATOM C CZ ' ' ARG A 1 26 . 26 ARG A CZ 61.4 1.0 14.62 32.482002 48.826004 1 267 +ATOM N NH1 ' ' ARG A 1 26 . 26 ARG A NH1 49.94 1.0 14.037999 33.676003 48.89 1 268 +ATOM N NH2 ' ' ARG A 1 26 . 26 ARG A NH2 51.8 1.0 14.537999 31.768002 47.704002 1 269 +ATOM N N ' ' TYR A 1 27 . 27 TYR A N 16.32 1.0 21.175 33.249 50.794 1 270 +ATOM C CA ' ' TYR A 1 27 . 27 TYR A CA 16.51 1.0 22.235 33.742 49.909004 1 271 +ATOM C C ' ' TYR A 1 27 . 27 TYR A C 16.34 1.0 23.429 34.071003 50.78 1 272 +ATOM O O ' ' TYR A 1 27 . 27 TYR A O 16.29 1.0 23.407001 35.082 51.489998 1 273 +ATOM C CB ' ' TYR A 1 27 . 27 TYR A CB 15.35 1.0 21.807 34.981003 49.166 1 274 +ATOM C CG ' ' TYR A 1 27 . 27 TYR A CG 16.05 1.0 20.494 34.719 48.419 1 275 +ATOM C CD1 ' ' TYR A 1 27 . 27 TYR A CD1 20.63 1.0 20.446999 33.871002 47.350998 1 276 +ATOM C CD2 ' ' TYR A 1 27 . 27 TYR A CD2 17.91 1.0 19.324001 35.324 48.861 1 277 +ATOM C CE1 ' ' TYR A 1 27 . 27 TYR A CE1 21.5 1.0 19.201 33.651 46.664 1 278 +ATOM C CE2 ' ' TYR A 1 27 . 27 TYR A CE2 22.79 1.0 18.105 35.147003 48.195 1 279 +ATOM C CZ ' ' TYR A 1 27 . 27 TYR A CZ 27.23 1.0 18.060001 34.281002 47.131004 1 280 +ATOM O OH ' ' TYR A 1 27 . 27 TYR A OH 28.72 1.0 16.879002 34.075 46.476997 1 281 +ATOM N N ' ' PHE A 1 28 . 28 PHE A N 14.67 1.0 24.48 33.266003 50.682 1 282 +ATOM C CA ' ' PHE A 1 28 . 28 PHE A CA 15.61 1.0 25.633999 33.525 51.536003 1 283 +ATOM C C ' ' PHE A 1 28 . 28 PHE A C 19.57 1.0 26.362999 34.752003 51.001 1 284 +ATOM O O ' ' PHE A 1 28 . 28 PHE A O 18.55 1.0 26.465 34.935 49.804 1 285 +ATOM C CB ' ' PHE A 1 28 . 28 PHE A CB 14.69 1.0 26.571999 32.32 51.552002 1 286 +ATOM C CG ' ' PHE A 1 28 . 28 PHE A CG 16.6 1.0 27.592999 32.418003 52.686005 1 287 +ATOM C CD1 ' ' PHE A 1 28 . 28 PHE A CD1 16.85 1.0 27.126999 32.374 53.982002 1 288 +ATOM C CD2 ' ' PHE A 1 28 . 28 PHE A CD2 16.35 1.0 28.941998 32.5 52.442 1 289 +ATOM C CE1 ' ' PHE A 1 28 . 28 PHE A CE1 16.08 1.0 28.003998 32.54 55.092003 1 290 +ATOM C CE2 ' ' PHE A 1 28 . 28 PHE A CE2 20.4 1.0 29.857998 32.574 53.513 1 291 +ATOM C CZ ' ' PHE A 1 28 . 28 PHE A CZ 16.56 1.0 29.397 32.584 54.841003 1 292 +ATOM N N ' ' GLU A 1 29 . 29 GLU A N 17.13 1.0 26.800999 35.626003 51.892 1 293 +ATOM C CA ' ' GLU A 1 29 . 29 GLU A CA 20.44 1.0 27.372997 36.906002 51.47 1 294 +ATOM C C ' ' GLU A 1 29 . 29 GLU A C 21.87 1.0 26.368 37.705 50.634003 1 295 +ATOM O O ' ' GLU A 1 29 . 29 GLU A O 19.18 1.0 26.776001 38.527 49.866005 1 296 +ATOM C CB ' ' GLU A 1 29 . 29 GLU A CB 20.22 1.0 28.681 36.722 50.656998 1 297 +ATOM C CG ' ' GLU A 1 29 . 29 GLU A CG 24.09 1.0 29.884998 36.094 51.487 1 298 +ATOM C CD ' ' GLU A 1 29 . 29 GLU A CD 31.94 1.0 31.166 35.873 50.64 1 299 +ATOM O OE1 ' ' GLU A 1 29 . 29 GLU A OE1 28.84 1.0 31.113998 35.828003 49.355003 1 300 +ATOM O OE2 ' ' GLU A 1 29 . 29 GLU A OE2 33.5 1.0 32.236 35.75 51.279 1 301 +ATOM N N ' ' ALA A 1 30 . 30 ALA A N 17.27 1.0 25.068 37.462 50.800003 1 302 +ATOM C CA ' ' ALA A 1 30 . 30 ALA A CA 17.53 1.0 24.002998 38.04 50.006004 1 303 +ATOM C C ' ' ALA A 1 30 . 30 ALA A C 22.99 1.0 24.152 37.755 48.510002 1 304 +ATOM O O ' ' ALA A 1 30 . 30 ALA A O 22.1 1.0 23.585 38.473 47.703003 1 305 +ATOM C CB ' ' ALA A 1 30 . 30 ALA A CB 19.6 1.0 23.904 39.576 50.253998 1 306 +ATOM N N ' ' VAL A 1 31 . 31 VAL A N 18.82 1.0 24.883999 36.712 48.095 1 307 +ATOM C CA ' ' VAL A 1 31 . 31 VAL A CA 19.46 1.0 24.955002 36.370003 46.68 1 308 +ATOM C C ' ' VAL A 1 31 . 31 VAL A C 19.85 1.0 24.831001 34.867 46.409004 1 309 +ATOM O O ' ' VAL A 1 31 . 31 VAL A O 18.64 1.0 24.133 34.471 45.483 1 310 +ATOM C CB ' ' VAL A 1 31 . 31 VAL A CB 24.56 1.0 26.242 36.95 46.031998 1 311 +ATOM C CG1 ' ' VAL A 1 31 . 31 VAL A CG1 22.99 1.0 27.369 36.668003 46.746002 1 312 +ATOM C CG2 ' ' VAL A 1 31 . 31 VAL A CG2 27.37 1.0 26.472 36.427002 44.567 1 313 +ATOM N N ' ' TRP A 1 32 . 32 TRP A N 15.41 1.0 25.460999 33.984 47.197 1 314 +ATOM C CA ' ' TRP A 1 32 . 32 TRP A CA 17.07 1.0 25.600998 32.574 46.765 1 315 +ATOM C C ' ' TRP A 1 32 . 32 TRP A C 16.96 1.0 24.418999 31.735 47.238 1 316 +ATOM O O ' ' TRP A 1 32 . 32 TRP A O 17.07 1.0 24.196999 31.615002 48.434998 1 317 +ATOM C CB ' ' TRP A 1 32 . 32 TRP A CB 15.91 1.0 26.905998 31.956001 47.309 1 318 +ATOM C CG ' ' TRP A 1 32 . 32 TRP A CG 15.91 1.0 28.066998 32.872 47.03 1 319 +ATOM C CD1 ' ' TRP A 1 32 . 32 TRP A CD1 18.54 1.0 28.870998 33.495003 47.974 1 320 +ATOM C CD2 ' ' TRP A 1 32 . 32 TRP A CD2 15.88 1.0 28.543999 33.299 45.75 1 321 +ATOM N NE1 ' ' TRP A 1 32 . 32 TRP A NE1 18.51 1.0 29.816998 34.279003 47.342003 1 322 +ATOM C CE2 ' ' TRP A 1 32 . 32 TRP A CE2 16.64 1.0 29.61 34.199 45.987 1 323 +ATOM C CE3 ' ' TRP A 1 32 . 32 TRP A CE3 16.51 1.0 28.122997 33.062 44.405 1 324 +ATOM C CZ2 ' ' TRP A 1 32 . 32 TRP A CZ2 18.36 1.0 30.319 34.832 44.938004 1 325 +ATOM C CZ3 ' ' TRP A 1 32 . 32 TRP A CZ3 19.6 1.0 28.814999 33.701 43.357002 1 326 +ATOM C CH2 ' ' TRP A 1 32 . 32 TRP A CH2 20.49 1.0 29.897999 34.584 43.641 1 327 +ATOM N N ' ' GLU A 1 33 . 33 GLU A N 14.43 1.0 23.665 31.153002 46.307 1 328 +ATOM C CA ' ' GLU A 1 33 . 33 GLU A CA 15.0 1.0 22.483002 30.363 46.669 1 329 +ATOM C C ' ' GLU A 1 33 . 33 GLU A C 16.19 1.0 22.898998 29.12 47.453003 1 330 +ATOM O O ' ' GLU A 1 33 . 33 GLU A O 17.77 1.0 23.619 28.268002 46.928 1 331 +ATOM C CB ' ' GLU A 1 33 . 33 GLU A CB 20.66 1.0 21.756 29.925001 45.373 1 332 +ATOM C CG ' ' GLU A 1 33 . 33 GLU A CG 26.37 1.0 21.566002 31.134 44.465004 1 333 +ATOM C CD ' ' GLU A 1 33 . 33 GLU A CD 26.26 1.0 22.661999 31.412 43.35 1 334 +ATOM O OE1 ' ' GLU A 1 33 . 33 GLU A OE1 20.57 1.0 23.887001 31.297 43.524002 1 335 +ATOM O OE2 ' ' GLU A 1 33 . 33 GLU A OE2 25.76 1.0 22.242 31.884 42.228004 1 336 +ATOM N N ' ' ILE A 1 34 . 34 ILE A N 17.29 1.0 22.439 29.018002 48.707 1 337 +ATOM C CA ' ' ILE A 1 34 . 34 ILE A CA 13.48 1.0 22.702 27.847002 49.542 1 338 +ATOM C C ' ' ILE A 1 34 . 34 ILE A C 20.3 1.0 21.391998 27.379002 50.170998 1 339 +ATOM O O ' ' ILE A 1 34 . 34 ILE A O 18.39 1.0 21.173 27.519001 51.402 1 340 +ATOM C CB ' ' ILE A 1 34 . 34 ILE A CB 14.7 1.0 23.771 28.136002 50.646004 1 341 +ATOM C CG1 ' ' ILE A 1 34 . 34 ILE A CG1 14.08 1.0 23.539001 29.441002 51.419 1 342 +ATOM C CG2 ' ' ILE A 1 34 . 34 ILE A CG2 15.77 1.0 25.154 28.211002 49.994003 1 343 +ATOM C CD1 ' ' ILE A 1 34 . 34 ILE A CD1 15.38 1.0 24.306 29.527 52.843002 1 344 +ATOM N N ' ' PRO A 1 35 . 35 PRO A N 19.12 1.0 20.535 26.739002 49.415 1 345 +ATOM C CA ' ' PRO A 1 35 . 35 PRO A CA 21.26 1.0 19.347 26.111 50.045 1 346 +ATOM C C ' ' PRO A 1 35 . 35 PRO A C 21.43 1.0 19.717 25.068 51.096 1 347 +ATOM O O ' ' PRO A 1 35 . 35 PRO A O 22.83 1.0 18.901001 24.793001 51.985 1 348 +ATOM C CB ' ' PRO A 1 35 . 35 PRO A CB 28.29 1.0 18.59 25.480001 48.853004 1 349 +ATOM C CG ' ' PRO A 1 35 . 35 PRO A CG 26.51 1.0 19.592999 25.323002 47.766 1 350 +ATOM C CD ' ' PRO A 1 35 . 35 PRO A CD 18.64 1.0 20.653 26.434002 47.959 1 351 +ATOM N N ' ' GLU A 1 36 . 36 GLU A N 16.77 1.0 20.934002 24.542002 51.068 1 352 +ATOM C CA ' ' GLU A 1 36 . 36 GLU A CA 18.31 1.0 21.390999 23.568 52.072998 1 353 +ATOM C C ' ' GLU A 1 36 . 36 GLU A C 21.42 1.0 21.799 24.224003 53.375 1 354 +ATOM O O ' ' GLU A 1 36 . 36 GLU A O 18.98 1.0 21.985 23.524002 54.364 1 355 +ATOM C CB ' ' GLU A 1 36 . 36 GLU A CB 19.74 1.0 22.566002 22.737001 51.513 1 356 +ATOM C CG ' ' GLU A 1 36 . 36 GLU A CG 18.41 1.0 23.919998 23.505001 51.355003 1 357 +ATOM C CD ' ' GLU A 1 36 . 36 GLU A CD 24.3 1.0 24.098999 24.126001 49.947 1 358 +ATOM O OE1 ' ' GLU A 1 36 . 36 GLU A OE1 20.55 1.0 23.119999 24.694 49.403 1 359 +ATOM O OE2 ' ' GLU A 1 36 . 36 GLU A OE2 25.07 1.0 25.159 23.919003 49.326004 1 360 +ATOM N N ' ' GLY A 1 37 . 37 GLY A N 17.76 1.0 21.934002 25.552002 53.411003 1 361 +ATOM C CA ' ' GLY A 1 37 . 37 GLY A CA 16.21 1.0 22.282001 26.241001 54.654 1 362 +ATOM C C ' ' GLY A 1 37 . 37 GLY A C 15.76 1.0 23.747002 26.173 54.961998 1 363 +ATOM O O ' ' GLY A 1 37 . 37 GLY A O 16.5 1.0 24.564999 25.641003 54.197 1 364 +ATOM N N ' ' ILE A 1 38 . 38 ILE A N 17.03 1.0 24.092999 26.712002 56.149002 1 365 +ATOM C CA ' ' ILE A 1 38 . 38 ILE A CA 12.2 1.0 25.481998 26.738003 56.624 1 366 +ATOM C C ' ' ILE A 1 38 . 38 ILE A C 12.8 1.0 25.427998 26.781002 58.124 1 367 +ATOM O O ' ' ILE A 1 38 . 38 ILE A O 14.83 1.0 24.522 27.386002 58.71 1 368 +ATOM C CB ' ' ILE A 1 38 . 38 ILE A CB 13.37 1.0 26.253998 27.977001 56.025 1 369 +ATOM C CG1 ' ' ILE A 1 38 . 38 ILE A CG1 13.74 1.0 27.799 27.843002 56.239998 1 370 +ATOM C CG2 ' ' ILE A 1 38 . 38 ILE A CG2 15.47 1.0 25.693 29.338001 56.571 1 371 +ATOM C CD1 ' ' ILE A 1 38 . 38 ILE A CD1 14.86 1.0 28.603 29.088001 55.628 1 372 +ATOM N N ' ' SER A 1 39 . 39 SER A N 12.71 1.0 26.444 26.201 58.763 1 373 +ATOM C CA ' ' SER A 1 39 . 39 SER A CA 13.37 1.0 26.514 26.352001 60.211 1 374 +ATOM C C ' ' SER A 1 39 . 39 SER A C 14.9 1.0 27.536 27.436 60.605003 1 375 +ATOM O O ' ' SER A 1 39 . 39 SER A O 14.08 1.0 28.467999 27.739002 59.849 1 376 +ATOM C CB ' ' SER A 1 39 . 39 SER A CB 15.32 1.0 26.918999 25.021002 60.875 1 377 +ATOM O OG ' ' SER A 1 39 . 39 SER A OG 17.68 1.0 28.318 24.708 60.825005 1 378 +ATOM N N ' ' TYR A 1 40 . 40 TYR A N 13.25 1.0 27.393997 27.941002 61.823997 1 379 +ATOM C CA ' ' TYR A 1 40 . 40 TYR A CA 11.99 1.0 28.434998 28.754002 62.471 1 380 +ATOM C C ' ' TYR A 1 40 . 40 TYR A C 16.76 1.0 28.922 27.993002 63.705 1 381 +ATOM O O ' ' TYR A 1 40 . 40 TYR A O 15.43 1.0 28.096 27.636002 64.562004 1 382 +ATOM C CB ' ' TYR A 1 40 . 40 TYR A CB 15.25 1.0 27.967999 30.169003 62.894005 1 383 +ATOM C CG ' ' TYR A 1 40 . 40 TYR A CG 16.46 1.0 27.208 30.844002 61.762 1 384 +ATOM C CD1 ' ' TYR A 1 40 . 40 TYR A CD1 14.95 1.0 27.841 31.036001 60.556 1 385 +ATOM C CD2 ' ' TYR A 1 40 . 40 TYR A CD2 15.02 1.0 25.868 31.2 61.916 1 386 +ATOM C CE1 ' ' TYR A 1 40 . 40 TYR A CE1 14.83 1.0 27.098999 31.534 59.392 1 387 +ATOM C CE2 ' ' TYR A 1 40 . 40 TYR A CE2 17.86 1.0 25.134998 31.732002 60.846 1 388 +ATOM C CZ ' ' TYR A 1 40 . 40 TYR A CZ 15.01 1.0 25.764 31.881 59.590004 1 389 +ATOM O OH ' ' TYR A 1 40 . 40 TYR A OH 16.73 1.0 25.002998 32.318 58.503998 1 390 +ATOM N N ' ' ASN A 1 41 . 41 ASN A N 14.58 1.0 30.244 27.801003 63.812004 1 391 +ATOM C CA ' ' ASN A 1 41 . 41 ASN A CA 14.69 1.0 30.82 26.965 64.871 1 392 +ATOM C C ' ' ASN A 1 41 . 41 ASN A C 13.65 1.0 31.760998 27.840002 65.700005 1 393 +ATOM O O ' ' ASN A 1 41 . 41 ASN A O 15.71 1.0 32.749 28.404001 65.162 1 394 +ATOM C CB ' ' ASN A 1 41 . 41 ASN A CB 14.56 1.0 31.642998 25.785002 64.322 1 395 +ATOM C CG ' ' ASN A 1 41 . 41 ASN A CG 16.75 1.0 30.895 24.914001 63.326004 1 396 +ATOM O OD1 ' ' ASN A 1 41 . 41 ASN A OD1 17.63 1.0 29.652 24.899002 63.255005 1 397 +ATOM N ND2 ' ' ASN A 1 41 . 41 ASN A ND2 16.26 1.0 31.682 24.226002 62.475998 1 398 +ATOM N N ' ' ALA A 1 42 . 42 ALA A N 15.77 1.0 31.478 27.926003 67.0 1 399 +ATOM C CA ' ' ALA A 1 42 . 42 ALA A CA 14.26 1.0 32.397 28.541 67.958 1 400 +ATOM C C ' ' ALA A 1 42 . 42 ALA A C 13.35 1.0 32.842 27.481 68.939 1 401 +ATOM O O ' ' ALA A 1 42 . 42 ALA A O 14.54 1.0 32.26 26.377003 69.005005 1 402 +ATOM C CB ' ' ALA A 1 42 . 42 ALA A CB 17.53 1.0 31.708 29.685001 68.715004 1 403 +ATOM N N ' ' TYR A 1 43 . 43 TYR A N 14.63 1.0 33.89 27.799002 69.722 1 404 +ATOM C CA ' ' TYR A 1 43 . 43 TYR A CA 13.37 1.0 34.436 26.764002 70.599 1 405 +ATOM C C ' ' TYR A 1 43 . 43 TYR A C 16.29 1.0 34.774 27.383001 71.948 1 406 +ATOM O O ' ' TYR A 1 43 . 43 TYR A O 14.95 1.0 35.127 28.556002 72.047005 1 407 +ATOM C CB ' ' TYR A 1 43 . 43 TYR A CB 12.84 1.0 35.752 26.109001 70.009 1 408 +ATOM C CG ' ' TYR A 1 43 . 43 TYR A CG 16.12 1.0 35.485 25.468002 68.637 1 409 +ATOM C CD1 ' ' TYR A 1 43 . 43 TYR A CD1 16.78 1.0 35.527 26.252003 67.442 1 410 +ATOM C CD2 ' ' TYR A 1 43 . 43 TYR A CD2 14.2 1.0 35.128998 24.130001 68.559 1 411 +ATOM C CE1 ' ' TYR A 1 43 . 43 TYR A CE1 16.83 1.0 35.198997 25.665 66.218 1 412 +ATOM C CE2 ' ' TYR A 1 43 . 43 TYR A CE2 14.61 1.0 34.784 23.523003 67.325005 1 413 +ATOM C CZ ' ' TYR A 1 43 . 43 TYR A CZ 16.33 1.0 34.868 24.300001 66.162 1 414 +ATOM O OH ' ' TYR A 1 43 . 43 TYR A OH 17.03 1.0 34.554 23.707 64.96 1 415 +ATOM N N ' ' LEU A 1 44 . 44 LEU A N 15.63 1.0 34.704 26.551003 72.99 1 416 +ATOM C CA ' ' LEU A 1 44 . 44 LEU A CA 14.92 1.0 35.156 27.035002 74.301 1 417 +ATOM C C ' ' LEU A 1 44 . 44 LEU A C 16.8 1.0 36.161 26.046001 74.837 1 418 +ATOM O O ' ' LEU A 1 44 . 44 LEU A O 20.49 1.0 35.886997 24.847 74.883 1 419 +ATOM C CB ' ' LEU A 1 44 . 44 LEU A CB 17.33 1.0 33.969997 27.171001 75.257 1 420 +ATOM C CG ' ' LEU A 1 44 . 44 LEU A CG 21.39 1.0 34.367 27.629002 76.674 1 421 +ATOM C CD1 ' ' LEU A 1 44 . 44 LEU A CD1 22.37 1.0 34.582 29.174002 76.684 1 422 +ATOM C CD2 ' ' LEU A 1 44 . 44 LEU A CD2 23.15 1.0 33.240997 27.171001 77.595 1 423 +ATOM N N ' ' VAL A 1 45 . 45 VAL A N 19.68 1.0 37.305 26.555 75.267 1 424 +ATOM C CA ' ' VAL A 1 45 . 45 VAL A CA 20.44 1.0 38.362 25.736 75.811005 1 425 +ATOM C C ' ' VAL A 1 45 . 45 VAL A C 20.08 1.0 38.418 26.069 77.309 1 426 +ATOM O O ' ' VAL A 1 45 . 45 VAL A O 18.31 1.0 38.656 27.221 77.657 1 427 +ATOM C CB ' ' VAL A 1 45 . 45 VAL A CB 20.69 1.0 39.697998 26.039001 75.132 1 428 +ATOM C CG1 ' ' VAL A 1 45 . 45 VAL A CG1 20.83 1.0 40.772 24.957 75.555 1 429 +ATOM C CG2 ' ' VAL A 1 45 . 45 VAL A CG2 18.27 1.0 39.54 26.036001 73.547005 1 430 +ATOM N N ' ' LYS A 1 46 . 46 LYS A N 24.42 1.0 38.106 25.095001 78.16 1 431 +ATOM C CA ' ' LYS A 1 46 . 46 LYS A CA 22.15 1.0 38.135 25.299002 79.617004 1 432 +ATOM C C ' ' LYS A 1 46 . 46 LYS A C 22.38 1.0 39.457 24.766003 80.131004 1 433 +ATOM O O ' ' LYS A 1 46 . 46 LYS A O 23.67 1.0 39.738 23.575 79.974 1 434 +ATOM C CB ' ' LYS A 1 46 . 46 LYS A CB 24.09 1.0 36.952 24.603 80.292 1 435 +ATOM C CG ' ' LYS A 1 46 . 46 LYS A CG 26.03 1.0 35.625 25.106003 79.743004 1 436 +ATOM C CD ' ' LYS A 1 46 . 46 LYS A CD 31.48 1.0 34.432 24.484001 80.436005 1 437 +ATOM C CE ' ' LYS A 1 46 . 46 LYS A CE 36.47 1.0 34.057 25.285002 81.678 1 438 +ATOM N NZ ' ' LYS A 1 46 . 46 LYS A NZ 40.93 1.0 32.823997 24.679 82.232 1 439 +ATOM N N ' ' LEU A 1 47 . 47 LEU A N 22.98 1.0 40.288 25.651001 80.668 1 440 +ATOM C CA ' ' LEU A 1 47 . 47 LEU A CA 21.51 1.0 41.653 25.298 81.055 1 441 +ATOM C C ' ' LEU A 1 47 . 47 LEU A C 25.5 1.0 41.807 25.521002 82.539 1 442 +ATOM O O ' ' LEU A 1 47 . 47 LEU A O 26.11 1.0 40.87 25.902 83.241005 1 443 +ATOM C CB ' ' LEU A 1 47 . 47 LEU A CB 19.05 1.0 42.693 26.121002 80.294 1 444 +ATOM C CG ' ' LEU A 1 47 . 47 LEU A CG 20.34 1.0 42.467 25.918001 78.75 1 445 +ATOM C CD1 ' ' LEU A 1 47 . 47 LEU A CD1 26.31 1.0 43.291 26.933002 78.005005 1 446 +ATOM C CD2 ' ' LEU A 1 47 . 47 LEU A CD2 23.85 1.0 42.976997 24.525002 78.48 1 447 +ATOM N N ' ' ASN A 1 48 . 48 ASN A N 25.93 1.0 43.035 25.299002 82.99 1 448 +ATOM C CA ' ' ASN A 1 48 . 48 ASN A CA 24.0 1.0 43.396 25.497002 84.414 1 449 +ATOM C C ' ' ASN A 1 48 . 48 ASN A C 20.19 1.0 43.731 26.963001 84.632 1 450 +ATOM O O ' ' ASN A 1 48 . 48 ASN A O 28.06 1.0 44.833 27.403002 84.317 1 451 +ATOM C CB ' ' ASN A 1 48 . 48 ASN A CB 28.49 1.0 44.577 24.575 84.698 1 452 +ATOM C CG ' ' ASN A 1 48 . 48 ASN A CG 35.89 1.0 44.833 24.402 86.185 1 453 +ATOM O OD1 ' ' ASN A 1 48 . 48 ASN A OD1 31.77 1.0 43.999 24.785002 87.017 1 454 +ATOM N ND2 ' ' ASN A 1 48 . 48 ASN A ND2 37.0 1.0 45.953 23.772001 86.512 1 455 +ATOM N N ' ' GLY A 1 49 . 49 GLY A N 23.59 1.0 42.771 27.744001 85.157 1 456 +ATOM C CA ' ' GLY A 1 49 . 49 GLY A CA 24.9 1.0 42.940998 29.181002 85.315 1 457 +ATOM C C ' ' GLY A 1 49 . 49 GLY A C 28.66 1.0 42.541 30.039001 84.121 1 458 +ATOM O O ' ' GLY A 1 49 . 49 GLY A O 25.27 1.0 42.823997 31.245 84.116005 1 459 +ATOM N N ' ' ALA A 1 50 . 50 ALA A N 22.34 1.0 41.897 29.459002 83.104004 1 460 +ATOM C CA ' ' ALA A 1 50 . 50 ALA A CA 23.17 1.0 41.437 30.305 81.989 1 461 +ATOM C C ' ' ALA A 1 50 . 50 ALA A C 19.58 1.0 40.319 29.581001 81.288 1 462 +ATOM O O ' ' ALA A 1 50 . 50 ALA A O 22.33 1.0 40.257 28.353 81.313 1 463 +ATOM C CB ' ' ALA A 1 50 . 50 ALA A CB 20.7 1.0 42.559998 30.638 81.001 1 464 +ATOM N N ' ' ASN A 1 51 . 51 ASN A N 19.66 1.0 39.432 30.380001 80.626 1 465 +ATOM C CA ' ' ASN A 1 51 . 51 ASN A CA 23.76 1.0 38.37 29.864002 79.785 1 466 +ATOM C C ' ' ASN A 1 51 . 51 ASN A C 18.05 1.0 38.433 30.717001 78.520004 1 467 +ATOM O O ' ' ASN A 1 51 . 51 ASN A O 18.21 1.0 38.329998 31.951002 78.61 1 468 +ATOM C CB ' ' ASN A 1 51 . 51 ASN A CB 21.91 1.0 36.987 29.959002 80.469 1 469 +ATOM C CG ' ' ASN A 1 51 . 51 ASN A CG 28.26 1.0 36.906 29.085001 81.718 1 470 +ATOM O OD1 ' ' ASN A 1 51 . 51 ASN A OD1 25.02 1.0 36.989998 27.880001 81.605 1 471 +ATOM N ND2 ' ' ASN A 1 51 . 51 ASN A ND2 25.62 1.0 36.799 29.706001 82.931 1 472 +ATOM N N ' ' VAL A 1 52 . 52 VAL A N 19.11 1.0 38.726997 30.070002 77.392 1 473 +ATOM C CA ' ' VAL A 1 52 . 52 VAL A CA 14.75 1.0 39.04 30.751001 76.130005 1 474 +ATOM C C ' ' VAL A 1 52 . 52 VAL A C 17.05 1.0 37.874 30.516003 75.187004 1 475 +ATOM O O ' ' VAL A 1 52 . 52 VAL A O 16.8 1.0 37.555 29.369001 74.867004 1 476 +ATOM C CB ' ' VAL A 1 52 . 52 VAL A CB 17.0 1.0 40.34 30.241001 75.512 1 477 +ATOM C CG1 ' ' VAL A 1 52 . 52 VAL A CG1 19.51 1.0 40.704 31.043001 74.243004 1 478 +ATOM C CG2 ' ' VAL A 1 52 . 52 VAL A CG2 17.51 1.0 41.511997 30.331001 76.662 1 479 +ATOM N N ' ' LEU A 1 53 . 53 LEU A N 16.9 1.0 37.251 31.586002 74.76 1 480 +ATOM C CA ' ' LEU A 1 53 . 53 LEU A CA 15.75 1.0 36.225 31.455002 73.704 1 481 +ATOM C C ' ' LEU A 1 53 . 53 LEU A C 17.63 1.0 36.899998 31.651001 72.364 1 482 +ATOM O O ' ' LEU A 1 53 . 53 LEU A O 17.67 1.0 37.718998 32.549 72.213 1 483 +ATOM C CB ' ' LEU A 1 53 . 53 LEU A CB 16.27 1.0 35.174 32.518 73.956 1 484 +ATOM C CG ' ' LEU A 1 53 . 53 LEU A CG 21.03 1.0 34.132 32.609 72.848 1 485 +ATOM C CD1 ' ' LEU A 1 53 . 53 LEU A CD1 19.78 1.0 33.272 31.361002 72.973 1 486 +ATOM C CD2 ' ' LEU A 1 53 . 53 LEU A CD2 20.88 1.0 33.342 33.883003 73.223 1 487 +ATOM N N ' ' ILE A 1 54 . 54 ILE A N 16.47 1.0 36.531 30.828001 71.353004 1 488 +ATOM C CA ' ' ILE A 1 54 . 54 ILE A CA 13.82 1.0 37.175 30.921001 70.062004 1 489 +ATOM C C ' ' ILE A 1 54 . 54 ILE A C 15.64 1.0 36.042 31.140001 69.066 1 490 +ATOM O O ' ' ILE A 1 54 . 54 ILE A O 18.53 1.0 35.158 30.275002 68.926 1 491 +ATOM C CB ' ' ILE A 1 54 . 54 ILE A CB 15.63 1.0 37.999 29.662003 69.723 1 492 +ATOM C CG1 ' ' ILE A 1 54 . 54 ILE A CG1 19.51 1.0 39.115997 29.513 70.825005 1 493 +ATOM C CG2 ' ' ILE A 1 54 . 54 ILE A CG2 17.71 1.0 38.694 29.852001 68.335 1 494 +ATOM C CD1 ' ' ILE A 1 54 . 54 ILE A CD1 24.31 1.0 40.258 28.492 70.509 1 495 +ATOM N N ' ' ASP A 1 55 . 55 ASP A N 16.53 1.0 36.035 32.334 68.485 1 496 +ATOM C CA ' ' ASP A 1 55 . 55 ASP A CA 18.44 1.0 35.061 32.789 67.475 1 497 +ATOM C C ' ' ASP A 1 55 . 55 ASP A C 19.8 1.0 33.655 32.904003 68.067 1 498 +ATOM O O ' ' ASP A 1 55 . 55 ASP A O 20.36 1.0 33.513 33.034 69.281 1 499 +ATOM C CB ' ' ASP A 1 55 . 55 ASP A CB 21.25 1.0 35.174 31.889002 66.235 1 500 +ATOM C CG ' ' ASP A 1 55 . 55 ASP A CG 43.09 1.0 36.62 32.030003 65.535 1 501 +ATOM O OD1 ' ' ASP A 1 55 . 55 ASP A OD1 28.38 1.0 37.224 33.151 65.561005 1 502 +ATOM O OD2 ' ' ASP A 1 55 . 55 ASP A OD2 31.13 1.0 37.189 31.060001 64.955 1 503 +ATOM N N ' ' GLY A 1 56 . 56 GLY A N 18.71 1.0 32.607998 32.963 67.238 1 504 +ATOM C CA ' ' GLY A 1 56 . 56 GLY A CA 17.2 1.0 31.300999 33.362 67.753 1 505 +ATOM C C ' ' GLY A 1 56 . 56 GLY A C 14.92 1.0 30.280998 32.962 66.691 1 506 +ATOM O O ' ' GLY A 1 56 . 56 GLY A O 16.72 1.0 30.59 32.136 65.835 1 507 +ATOM N N ' ' TRP A 1 57 . 57 TRP A N 14.72 1.0 29.098999 33.584 66.754 1 508 +ATOM C CA ' ' TRP A 1 57 . 57 TRP A CA 15.46 1.0 28.051998 33.343002 65.74 1 509 +ATOM C C ' ' TRP A 1 57 . 57 TRP A C 18.59 1.0 27.668999 34.647003 65.091 1 510 +ATOM O O ' ' TRP A 1 57 . 57 TRP A O 19.39 1.0 27.906998 35.715 65.62 1 511 +ATOM C CB ' ' TRP A 1 57 . 57 TRP A CB 16.66 1.0 26.795998 32.730003 66.348 1 512 +ATOM C CG ' ' TRP A 1 57 . 57 TRP A CG 15.87 1.0 26.931 31.313002 66.866005 1 513 +ATOM C CD1 ' ' TRP A 1 57 . 57 TRP A CD1 16.02 1.0 28.0 30.454002 66.686005 1 514 +ATOM C CD2 ' ' TRP A 1 57 . 57 TRP A CD2 16.2 1.0 25.967 30.608002 67.678 1 515 +ATOM N NE1 ' ' TRP A 1 57 . 57 TRP A NE1 16.37 1.0 27.721 29.241001 67.31 1 516 +ATOM C CE2 ' ' TRP A 1 57 . 57 TRP A CE2 14.16 1.0 26.494 29.316002 67.932 1 517 +ATOM C CE3 ' ' TRP A 1 57 . 57 TRP A CE3 18.0 1.0 24.676998 30.940002 68.18 1 518 +ATOM C CZ2 ' ' TRP A 1 57 . 57 TRP A CZ2 15.45 1.0 25.805 28.334002 68.734 1 519 +ATOM C CZ3 ' ' TRP A 1 57 . 57 TRP A CZ3 18.59 1.0 23.997002 29.999 68.977 1 520 +ATOM C CH2 ' ' TRP A 1 57 . 57 TRP A CH2 18.31 1.0 24.564999 28.702002 69.242004 1 521 +ATOM N N ' ' LYS A 1 58 . 58 LYS A N 16.44 1.0 26.93 34.539 63.978004 1 522 +ATOM C CA ' ' LYS A 1 58 . 58 LYS A CA 18.11 1.0 26.397999 35.731003 63.314003 1 523 +ATOM C C ' ' LYS A 1 58 . 58 LYS A C 20.08 1.0 25.468998 36.493 64.25 1 524 +ATOM O O ' ' LYS A 1 58 . 58 LYS A O 18.19 1.0 24.806 35.903 65.109 1 525 +ATOM C CB ' ' LYS A 1 58 . 58 LYS A CB 16.54 1.0 25.688 35.267002 62.017 1 526 +ATOM C CG ' ' LYS A 1 58 . 58 LYS A CG 20.99 1.0 25.247997 36.323 60.996002 1 527 +ATOM C CD ' ' LYS A 1 58 . 58 LYS A CD 22.06 1.0 24.612999 35.492 59.836998 1 528 +ATOM C CE ' ' LYS A 1 58 . 58 LYS A CE 32.12 1.0 23.965 36.343002 58.732002 1 529 +ATOM N NZ ' ' LYS A 1 58 . 58 LYS A NZ 39.28 1.0 22.585999 36.599003 59.141 1 530 +ATOM N N ' ' GLY A 1 59 . 59 GLY A N 20.3 1.0 25.43 37.826 64.061005 1 531 +ATOM C CA ' ' GLY A 1 59 . 59 GLY A CA 21.64 1.0 24.824001 38.729 65.052 1 532 +ATOM C C ' ' GLY A 1 59 . 59 GLY A C 25.53 1.0 23.319 38.567 65.239 1 533 +ATOM O O ' ' GLY A 1 59 . 59 GLY A O 22.75 1.0 22.789001 38.850002 66.321 1 534 +ATOM N N ' ' ASN A 1 60 . 60 ASN A N 22.32 1.0 22.605999 38.106003 64.211 1 535 +ATOM C CA ' ' ASN A 1 60 . 60 ASN A CA 26.24 1.0 21.171001 37.887 64.425 1 536 +ATOM C C ' ' ASN A 1 60 . 60 ASN A C 23.56 1.0 20.905998 36.7 65.339005 1 537 +ATOM O O ' ' ASN A 1 60 . 60 ASN A O 27.83 1.0 19.786999 36.550003 65.832 1 538 +ATOM C CB ' ' ASN A 1 60 . 60 ASN A CB 25.68 1.0 20.405998 37.696003 63.075005 1 539 +ATOM C CG ' ' ASN A 1 60 . 60 ASN A CG 35.04 1.0 20.965 36.550003 62.225 1 540 +ATOM O OD1 ' ' ASN A 1 60 . 60 ASN A OD1 35.83 1.0 22.168999 36.455 62.003998 1 541 +ATOM N ND2 ' ' ASN A 1 60 . 60 ASN A ND2 35.41 1.0 20.074001 35.693 61.698997 1 542 +ATOM N N ' ' TYR A 1 61 . 61 TYR A N 21.67 1.0 21.939 35.916 65.697 1 543 +ATOM C CA ' ' TYR A 1 61 . 61 TYR A CA 17.55 1.0 21.79 34.845 66.653 1 544 +ATOM C C ' ' TYR A 1 61 . 61 TYR A C 18.29 1.0 22.559002 35.140003 67.962 1 545 +ATOM O O ' ' TYR A 1 61 . 61 TYR A O 22.4 1.0 22.867 34.213 68.688 1 546 +ATOM C CB ' ' TYR A 1 61 . 61 TYR A CB 19.89 1.0 22.258999 33.524002 66.05 1 547 +ATOM C CG ' ' TYR A 1 61 . 61 TYR A CG 21.32 1.0 21.474998 33.11 64.79 1 548 +ATOM C CD1 ' ' TYR A 1 61 . 61 TYR A CD1 23.37 1.0 20.088001 32.883003 64.861 1 549 +ATOM C CD2 ' ' TYR A 1 61 . 61 TYR A CD2 22.72 1.0 22.126 32.856003 63.590004 1 550 +ATOM C CE1 ' ' TYR A 1 61 . 61 TYR A CE1 28.53 1.0 19.358002 32.509003 63.767998 1 551 +ATOM C CE2 ' ' TYR A 1 61 . 61 TYR A CE2 24.48 1.0 21.362999 32.455 62.43 1 552 +ATOM C CZ ' ' TYR A 1 61 . 61 TYR A CZ 30.24 1.0 19.985 32.271 62.555 1 553 +ATOM O OH ' ' TYR A 1 61 . 61 TYR A OH 27.94 1.0 19.199001 31.852001 61.447 1 554 +ATOM N N ' ' ALA A 1 62 . 62 ALA A N 18.96 1.0 22.814999 36.412003 68.272 1 555 +ATOM C CA ' ' ALA A 1 62 . 62 ALA A CA 21.38 1.0 23.606998 36.763 69.473 1 556 +ATOM C C ' ' ALA A 1 62 . 62 ALA A C 25.73 1.0 22.936 36.285 70.753 1 557 +ATOM O O ' ' ALA A 1 62 . 62 ALA A O 26.93 1.0 23.594002 35.781002 71.666 1 558 +ATOM C CB ' ' ALA A 1 62 . 62 ALA A CB 19.36 1.0 23.830002 38.267002 69.522 1 559 +ATOM N N ' ' LYS A 1 63 . 63 LYS A N 22.82 1.0 21.623001 36.444 70.848 1 560 +ATOM C CA ' ' LYS A 1 63 . 63 LYS A CA 23.8 1.0 20.935001 36.021 72.051 1 561 +ATOM C C ' ' LYS A 1 63 . 63 LYS A C 27.13 1.0 20.979 34.511 72.22 1 562 +ATOM O O ' ' LYS A 1 63 . 63 LYS A O 26.3 1.0 21.202 34.004 73.33 1 563 +ATOM C CB ' ' LYS A 1 63 . 63 LYS A CB 33.23 1.0 19.480999 36.529003 72.007 1 564 +ATOM C CG ' ' LYS A 1 63 . 63 LYS A CG 37.64 1.0 18.668999 35.960003 73.179 1 565 +ATOM N N ' ' GLU A 1 64 . 64 GLU A N 23.99 1.0 20.748001 33.764 71.133 1 566 +ATOM C CA ' ' GLU A 1 64 . 64 GLU A CA 22.84 1.0 20.893002 32.316 71.204 1 567 +ATOM C C ' ' GLU A 1 64 . 64 GLU A C 21.99 1.0 22.312 31.898 71.586 1 568 +ATOM O O ' ' GLU A 1 64 . 64 GLU A O 22.62 1.0 22.499 30.875002 72.258 1 569 +ATOM C CB ' ' GLU A 1 64 . 64 GLU A CB 25.12 1.0 20.528 31.696001 69.853004 1 570 +ATOM C CG ' ' GLU A 1 64 . 64 GLU A CG 36.55 1.0 19.048 31.835001 69.496 1 571 +ATOM C CD ' ' GLU A 1 64 . 64 GLU A CD 37.44 1.0 18.654 33.148003 68.782 1 572 +ATOM O OE1 ' ' GLU A 1 64 . 64 GLU A OE1 30.49 1.0 19.383999 34.171 68.754 1 573 +ATOM O OE2 ' ' GLU A 1 64 . 64 GLU A OE2 44.11 1.0 17.54 33.155003 68.218 1 574 +ATOM N N ' ' PHE A 1 65 . 65 PHE A N 20.54 1.0 23.321 32.638 71.102 1 575 +ATOM C CA ' ' PHE A 1 65 . 65 PHE A CA 20.54 1.0 24.703999 32.329002 71.435 1 576 +ATOM C C ' ' PHE A 1 65 . 65 PHE A C 20.06 1.0 24.949001 32.489002 72.931 1 577 +ATOM O O ' ' PHE A 1 65 . 65 PHE A O 20.82 1.0 25.515 31.602001 73.562004 1 578 +ATOM C CB ' ' PHE A 1 65 . 65 PHE A CB 19.3 1.0 25.666 33.248 70.681 1 579 +ATOM C CG ' ' PHE A 1 65 . 65 PHE A CG 17.31 1.0 27.105 32.97 70.987 1 580 +ATOM C CD1 ' ' PHE A 1 65 . 65 PHE A CD1 20.7 1.0 27.704998 31.774002 70.538 1 581 +ATOM C CD2 ' ' PHE A 1 65 . 65 PHE A CD2 18.53 1.0 27.862 33.867 71.727 1 582 +ATOM C CE1 ' ' PHE A 1 65 . 65 PHE A CE1 23.87 1.0 29.04 31.454002 70.869 1 583 +ATOM C CE2 ' ' PHE A 1 65 . 65 PHE A CE2 23.45 1.0 29.193 33.546 72.063 1 584 +ATOM C CZ ' ' PHE A 1 65 . 65 PHE A CZ 22.42 1.0 29.787998 32.36 71.614 1 585 +ATOM N N ' ' ILE A 1 66 . 66 ILE A N 26.06 1.0 24.536999 33.619003 73.506004 1 586 +ATOM C CA ' ' ILE A 1 66 . 66 ILE A CA 23.06 1.0 24.82 33.819 74.942 1 587 +ATOM C C ' ' ILE A 1 66 . 66 ILE A C 25.09 1.0 24.07 32.804 75.781 1 588 +ATOM O O ' ' ILE A 1 66 . 66 ILE A O 28.45 1.0 24.574001 32.318 76.798004 1 589 +ATOM C CB ' ' ILE A 1 66 . 66 ILE A CB 29.33 1.0 24.495998 35.262 75.319 1 590 +ATOM C CG1 ' ' ILE A 1 66 . 66 ILE A CG1 26.58 1.0 25.600998 36.124 74.707 1 591 +ATOM C CG2 ' ' ILE A 1 66 . 66 ILE A CG2 37.32 1.0 24.485 35.399002 76.833 1 592 +ATOM C CD1 ' ' ILE A 1 66 . 66 ILE A CD1 37.58 1.0 25.193 37.463 74.607 1 593 +ATOM N N ' ' ASP A 1 67 . 67 ASP A N 25.61 1.0 22.858002 32.446003 75.365 1 594 +ATOM C C ' ' ASP A 1 67 . 67 ASP A C 33.07 1.0 22.813 30.066002 75.986 1 595 +ATOM O O ' ' ASP A 1 67 . 67 ASP A O 30.98 1.0 22.897999 29.343002 76.98 1 596 +ATOM C CA A ASP A 1 67 . 67 ASP A CA 28.51 0.5 22.109001 31.413002 76.07 1 597 +ATOM C CB A ASP A 1 67 . 67 ASP A CB 30.42 0.5 20.693 31.327002 75.497 1 598 +ATOM C CG A ASP A 1 67 . 67 ASP A CG 35.15 0.5 19.846 30.277 76.171 1 599 +ATOM O OD1 A ASP A 1 67 . 67 ASP A OD1 39.89 0.5 19.233002 30.592001 77.211 1 600 +ATOM O OD2 A ASP A 1 67 . 67 ASP A OD2 40.6 0.5 19.758999 29.145 75.643 1 601 +ATOM C CA B ASP A 1 67 . 67 ASP A CA 28.56 0.5 22.112 31.408 76.07 1 602 +ATOM C CB B ASP A 1 67 . 67 ASP A CB 30.48 0.5 20.696 31.281002 75.509 1 603 +ATOM C CG B ASP A 1 67 . 67 ASP A CG 33.58 0.5 19.801998 32.396 75.96 1 604 +ATOM O OD1 B ASP A 1 67 . 67 ASP A OD1 36.26 0.5 20.23 33.13 76.865 1 605 +ATOM O OD2 B ASP A 1 67 . 67 ASP A OD2 41.6 0.5 18.686 32.549 75.407 1 606 +ATOM N N ' ' ALA A 1 68 . 68 ALA A N 26.26 1.0 23.307999 29.701002 74.804 1 607 +ATOM C CA ' ' ALA A 1 68 . 68 ALA A CA 23.23 1.0 24.005001 28.421001 74.666 1 608 +ATOM C C ' ' ALA A 1 68 . 68 ALA A C 25.0 1.0 25.318 28.426003 75.458 1 609 +ATOM O O ' ' ALA A 1 68 . 68 ALA A O 26.3 1.0 25.68 27.427002 76.079 1 610 +ATOM C CB ' ' ALA A 1 68 . 68 ALA A CB 26.18 1.0 24.292 28.140001 73.169 1 611 +ATOM N N ' ' LEU A 1 69 . 69 LEU A N 20.92 1.0 26.038998 29.546001 75.432 1 612 +ATOM C CA ' ' LEU A 1 69 . 69 LEU A CA 23.66 1.0 27.329998 29.576002 76.096 1 613 +ATOM C C ' ' LEU A 1 69 . 69 LEU A C 29.62 1.0 27.122997 29.409 77.591 1 614 +ATOM O O ' ' LEU A 1 69 . 69 LEU A O 27.16 1.0 27.869999 28.681002 78.264 1 615 +ATOM C CB ' ' LEU A 1 69 . 69 LEU A CB 24.39 1.0 28.001999 30.902 75.798004 1 616 +ATOM C CG ' ' LEU A 1 69 . 69 LEU A CG 25.58 1.0 29.333 31.2 76.487 1 617 +ATOM C CD1 ' ' LEU A 1 69 . 69 LEU A CD1 23.65 1.0 30.377998 30.213001 76.03 1 618 +ATOM C CD2 ' ' LEU A 1 69 . 69 LEU A CD2 23.93 1.0 29.698997 32.598 76.071 1 619 +ATOM N N ' ' SER A 1 70 . 70 SER A N 28.13 1.0 26.097 30.077002 78.12 1 620 +ATOM C CA ' ' SER A 1 70 . 70 SER A CA 28.74 1.0 25.828999 30.068 79.557 1 621 +ATOM C C ' ' SER A 1 70 . 70 SER A C 32.0 1.0 25.479 28.68 80.08 1 622 +ATOM O O ' ' SER A 1 70 . 70 SER A O 36.42 1.0 25.536 28.457 81.297005 1 623 +ATOM C CB A SER A 1 70 . 70 SER A CB 27.54 0.5 24.699001 31.047 79.872 1 624 +ATOM O OG A SER A 1 70 . 70 SER A OG 27.69 0.5 25.015 32.350002 79.42 1 625 +ATOM C CB B SER A 1 70 . 70 SER A CB 27.58 0.5 24.702 31.027 79.874 1 626 +ATOM O OG B SER A 1 70 . 70 SER A OG 28.41 0.5 23.491001 30.348001 79.665 1 627 +ATOM N N ' ' LYS A 1 71 . 71 LYS A N 33.55 1.0 25.145 27.736002 79.212 1 628 +ATOM C CA ' ' LYS A 1 71 . 71 LYS A CA 37.44 1.0 24.89 26.384003 79.67 1 629 +ATOM C C ' ' LYS A 1 71 . 71 LYS A C 36.28 1.0 26.170998 25.617 79.897 1 630 +ATOM O O ' ' LYS A 1 71 . 71 LYS A O 36.01 1.0 26.159 24.626001 80.623 1 631 +ATOM C CB ' ' LYS A 1 71 . 71 LYS A CB 40.15 1.0 23.999 25.635002 78.672005 1 632 +ATOM C CG ' ' LYS A 1 71 . 71 LYS A CG 44.21 1.0 22.596 26.239002 78.521 1 633 +ATOM C CD ' ' LYS A 1 71 . 71 LYS A CD 52.98 1.0 21.942001 25.721 77.221 1 634 +ATOM C CE ' ' LYS A 1 71 . 71 LYS A CE 64.35 1.0 20.424 25.920002 77.167 1 635 +ATOM N NZ ' ' LYS A 1 71 . 71 LYS A NZ 65.44 1.0 19.981998 27.275002 77.596 1 636 +ATOM N N ' ' ILE A 1 72 . 72 ILE A N 29.57 1.0 27.293 26.037003 79.31 1 637 +ATOM C CA ' ' ILE A 1 72 . 72 ILE A CA 30.42 1.0 28.527 25.313002 79.545 1 638 +ATOM C C ' ' ILE A 1 72 . 72 ILE A C 30.98 1.0 29.486 26.076 80.408005 1 639 +ATOM O O ' ' ILE A 1 72 . 72 ILE A O 31.17 1.0 30.468998 25.484001 80.875 1 640 +ATOM C CB ' ' ILE A 1 72 . 72 ILE A CB 30.97 1.0 29.210999 24.869001 78.245 1 641 +ATOM C CG1 ' ' ILE A 1 72 . 72 ILE A CG1 32.25 1.0 29.55 26.037003 77.353004 1 642 +ATOM C CG2 ' ' ILE A 1 72 . 72 ILE A CG2 35.39 1.0 28.271 23.919003 77.488 1 643 +ATOM C CD1 ' ' ILE A 1 72 . 72 ILE A CD1 35.61 1.0 29.999 25.563002 75.983 1 644 +ATOM N N ' ' VAL A 1 73 . 73 VAL A N 29.38 1.0 29.268997 27.371002 80.613 1 645 +ATOM C CA ' ' VAL A 1 73 . 73 VAL A CA 28.37 1.0 30.175999 28.126001 81.457 1 646 +ATOM C C ' ' VAL A 1 73 . 73 VAL A C 31.26 1.0 29.444 29.37 81.931 1 647 +ATOM O O ' ' VAL A 1 73 . 73 VAL A O 31.9 1.0 28.598 29.914001 81.227 1 648 +ATOM C CB ' ' VAL A 1 73 . 73 VAL A CB 27.44 1.0 31.488998 28.478 80.708 1 649 +ATOM C CG1 ' ' VAL A 1 73 . 73 VAL A CG1 26.66 1.0 31.257 29.613 79.676 1 650 +ATOM C CG2 ' ' VAL A 1 73 . 73 VAL A CG2 33.21 1.0 32.6 28.888 81.736 1 651 +ATOM N N ' ' ASP A 1 74 . 74 ASP A N 26.9 1.0 29.758 29.807001 83.145004 1 652 +ATOM C CA ' ' ASP A 1 74 . 74 ASP A CA 22.29 1.0 29.335 31.121002 83.578 1 653 +ATOM C C ' ' ASP A 1 74 . 74 ASP A C 25.81 1.0 30.112 32.13 82.755005 1 654 +ATOM O O ' ' ASP A 1 74 . 74 ASP A O 31.51 1.0 31.344997 32.128002 82.812004 1 655 +ATOM C CB ' ' ASP A 1 74 . 74 ASP A CB 32.8 1.0 29.643997 31.289001 85.091 1 656 +ATOM C CG ' ' ASP A 1 74 . 74 ASP A CG 40.7 1.0 29.197998 32.628002 85.630005 1 657 +ATOM O OD1 ' ' ASP A 1 74 . 74 ASP A OD1 39.47 1.0 28.875 33.551003 84.817 1 658 +ATOM O OD2 ' ' ASP A 1 74 . 74 ASP A OD2 47.91 1.0 29.143997 32.751 86.880005 1 659 +ATOM N N ' ' PRO A 1 75 . 75 PRO A N 32.48 1.0 29.459 32.981003 81.952 1 660 +ATOM C CA ' ' PRO A 1 75 . 75 PRO A CA 28.25 1.0 30.222 33.917 81.109 1 661 +ATOM C C ' ' PRO A 1 75 . 75 PRO A C 28.21 1.0 31.155998 34.831 81.883 1 662 +ATOM O O ' ' PRO A 1 75 . 75 PRO A O 25.06 1.0 32.159 35.281002 81.324 1 663 +ATOM C CB ' ' PRO A 1 75 . 75 PRO A CB 29.38 1.0 29.133 34.739002 80.406 1 664 +ATOM C CG ' ' PRO A 1 75 . 75 PRO A CG 32.86 1.0 27.911999 33.792 80.396 1 665 +ATOM C CD ' ' PRO A 1 75 . 75 PRO A CD 33.57 1.0 28.011997 33.002003 81.681 1 666 +ATOM N N ' ' LYS A 1 76 . 76 LYS A N 30.03 1.0 30.861 35.131 83.164 1 667 +ATOM C CA ' ' LYS A 1 76 . 76 LYS A CA 30.52 1.0 31.807999 35.913002 83.975 1 668 +ATOM C C ' ' LYS A 1 76 . 76 LYS A C 28.6 1.0 33.152 35.211002 84.145004 1 669 +ATOM O O ' ' LYS A 1 76 . 76 LYS A O 32.21 1.0 34.134 35.851 84.518 1 670 +ATOM C CB ' ' LYS A 1 76 . 76 LYS A CB 30.91 1.0 31.182 36.215 85.356 1 671 +ATOM N N ' ' GLU A 1 77 . 77 GLU A N 26.36 1.0 33.232 33.91 83.915 1 672 +ATOM C CA ' ' GLU A 1 77 . 77 GLU A CA 28.58 1.0 34.496998 33.194 84.078 1 673 +ATOM C C ' ' GLU A 1 77 . 77 GLU A C 28.72 1.0 35.288 33.101 82.788 1 674 +ATOM O O ' ' GLU A 1 77 . 77 GLU A O 23.28 1.0 36.35 32.474003 82.763 1 675 +ATOM C CB ' ' GLU A 1 77 . 77 GLU A CB 31.24 1.0 34.219997 31.811 84.64 1 676 +ATOM C CG ' ' GLU A 1 77 . 77 GLU A CG 46.19 1.0 33.864 31.984001 86.141 1 677 +ATOM C CD ' ' GLU A 1 77 . 77 GLU A CD 57.87 1.0 33.53 30.704002 86.863 1 678 +ATOM O OE1 ' ' GLU A 1 77 . 77 GLU A OE1 61.26 1.0 33.468 29.630001 86.231 1 679 +ATOM O OE2 ' ' GLU A 1 77 . 77 GLU A OE2 71.4 1.0 33.315 30.778002 88.086 1 680 +ATOM N N ' ' ILE A 1 78 . 78 ILE A N 25.36 1.0 34.815998 33.729 81.706 1 681 +ATOM C CA ' ' ILE A 1 78 . 78 ILE A CA 19.91 1.0 35.634 33.779003 80.498 1 682 +ATOM C C ' ' ILE A 1 78 . 78 ILE A C 22.17 1.0 36.768997 34.765003 80.706 1 683 +ATOM O O ' ' ILE A 1 78 . 78 ILE A O 23.83 1.0 36.568 35.861 81.238 1 684 +ATOM C CB ' ' ILE A 1 78 . 78 ILE A CB 20.54 1.0 34.732998 34.168003 79.285 1 685 +ATOM C CG1 ' ' ILE A 1 78 . 78 ILE A CG1 23.24 1.0 33.758 33.025 79.107 1 686 +ATOM C CG2 ' ' ILE A 1 78 . 78 ILE A CG2 19.08 1.0 35.601997 34.403 78.056 1 687 +ATOM C CD1 ' ' ILE A 1 78 . 78 ILE A CD1 28.39 1.0 32.708 33.36 77.994 1 688 +ATOM N N ' ' THR A 1 79 . 79 THR A N 20.23 1.0 37.961998 34.407 80.255005 1 689 +ATOM C CA ' ' THR A 1 79 . 79 THR A CA 22.64 1.0 39.148 35.241 80.418 1 690 +ATOM C C ' ' THR A 1 79 . 79 THR A C 19.22 1.0 39.774 35.688 79.115 1 691 +ATOM O O ' ' THR A 1 79 . 79 THR A O 20.08 1.0 40.522 36.682003 79.094 1 692 +ATOM C CB ' ' THR A 1 79 . 79 THR A CB 25.31 1.0 40.231 34.471 81.232 1 693 +ATOM O OG1 ' ' THR A 1 79 . 79 THR A OG1 21.89 1.0 40.426 33.186 80.605 1 694 +ATOM C CG2 ' ' THR A 1 79 . 79 THR A CG2 27.95 1.0 39.78 34.234 82.664 1 695 +ATOM N N ' ' HIS A 1 80 . 80 HIS A N 19.57 1.0 39.524998 34.97 78.003 1 696 +ATOM C CA ' ' HIS A 1 80 . 80 HIS A CA 15.36 1.0 40.184998 35.237003 76.745 1 697 +ATOM C C ' ' HIS A 1 80 . 80 HIS A C 13.97 1.0 39.183 34.957 75.619 1 698 +ATOM O O ' ' HIS A 1 80 . 80 HIS A O 18.58 1.0 38.403 34.026 75.727 1 699 +ATOM C CB ' ' HIS A 1 80 . 80 HIS A CB 15.02 1.0 41.375 34.292 76.486 1 700 +ATOM C CG ' ' HIS A 1 80 . 80 HIS A CG 18.22 1.0 42.513 34.459 77.483 1 701 +ATOM N ND1 ' ' HIS A 1 80 . 80 HIS A ND1 25.49 1.0 42.452 33.957 78.749 1 702 +ATOM C CD2 ' ' HIS A 1 80 . 80 HIS A CD2 22.25 1.0 43.714 35.062 77.36 1 703 +ATOM C CE1 ' ' HIS A 1 80 . 80 HIS A CE1 20.37 1.0 43.572 34.279003 79.405 1 704 +ATOM N NE2 ' ' HIS A 1 80 . 80 HIS A NE2 20.85 1.0 44.377 34.908 78.563 1 705 +ATOM N N ' ' ILE A 1 81 . 81 ILE A N 17.93 1.0 39.211998 35.771 74.592 1 706 +ATOM C CA ' ' ILE A 1 81 . 81 ILE A CA 13.33 1.0 38.436 35.494003 73.379 1 707 +ATOM C C ' ' ILE A 1 81 . 81 ILE A C 18.27 1.0 39.43 35.569 72.239 1 708 +ATOM O O ' ' ILE A 1 81 . 81 ILE A O 19.54 1.0 40.106 36.591003 72.062004 1 709 +ATOM C CB ' ' ILE A 1 81 . 81 ILE A CB 18.75 1.0 37.28 36.497 73.173004 1 710 +ATOM C CG1 ' ' ILE A 1 81 . 81 ILE A CG1 19.0 1.0 36.285 36.444 74.363 1 711 +ATOM C CG2 ' ' ILE A 1 81 . 81 ILE A CG2 15.94 1.0 36.598 36.199 71.821 1 712 +ATOM C CD1 ' ' ILE A 1 81 . 81 ILE A CD1 20.2 1.0 35.218 37.559002 74.299 1 713 +ATOM N N ' ' ILE A 1 82 . 82 ILE A N 15.22 1.0 39.475998 34.517002 71.413 1 714 +ATOM C CA ' ' ILE A 1 82 . 82 ILE A CA 14.03 1.0 40.356 34.506 70.253 1 715 +ATOM C C ' ' ILE A 1 82 . 82 ILE A C 17.51 1.0 39.493 34.726 69.019005 1 716 +ATOM O O ' ' ILE A 1 82 . 82 ILE A O 17.49 1.0 38.527 34.015003 68.827 1 717 +ATOM C CB ' ' ILE A 1 82 . 82 ILE A CB 17.2 1.0 41.085 33.16 70.142 1 718 +ATOM C CG1 ' ' ILE A 1 82 . 82 ILE A CG1 17.13 1.0 42.062 33.072002 71.340004 1 719 +ATOM C CG2 ' ' ILE A 1 82 . 82 ILE A CG2 19.33 1.0 41.835 33.054 68.792 1 720 +ATOM C CD1 ' ' ILE A 1 82 . 82 ILE A CD1 21.72 1.0 42.723 31.616001 71.458 1 721 +ATOM N N ' ' VAL A 1 83 . 83 VAL A N 15.48 1.0 39.842 35.7 68.227 1 722 +ATOM C CA ' ' VAL A 1 83 . 83 VAL A CA 14.5 1.0 39.112 36.052002 66.987 1 723 +ATOM C C ' ' VAL A 1 83 . 83 VAL A C 18.21 1.0 40.034 35.695 65.827 1 724 +ATOM O O ' ' VAL A 1 83 . 83 VAL A O 17.66 1.0 40.913 36.479 65.464005 1 725 +ATOM C CB ' ' VAL A 1 83 . 83 VAL A CB 16.66 1.0 38.76 37.545002 67.015 1 726 +ATOM C CG1 ' ' VAL A 1 83 . 83 VAL A CG1 20.01 1.0 37.989 37.928 65.717 1 727 +ATOM C CG2 ' ' VAL A 1 83 . 83 VAL A CG2 19.84 1.0 37.899998 37.802002 68.266 1 728 +ATOM N N ' ' ASN A 1 84 . 84 ASN A N 16.7 1.0 39.858997 34.501003 65.227 1 729 +ATOM C CA ' ' ASN A 1 84 . 84 ASN A CA 16.24 1.0 40.69 34.121002 64.082 1 730 +ATOM C C ' ' ASN A 1 84 . 84 ASN A C 20.43 1.0 40.368 34.927002 62.823997 1 731 +ATOM O O ' ' ASN A 1 84 . 84 ASN A O 19.9 1.0 41.184998 35.021 61.906 1 732 +ATOM C CB ' ' ASN A 1 84 . 84 ASN A CB 17.96 1.0 40.424 32.652 63.731003 1 733 +ATOM C CG ' ' ASN A 1 84 . 84 ASN A CG 25.52 1.0 40.989 31.729002 64.78 1 734 +ATOM O OD1 ' ' ASN A 1 84 . 84 ASN A OD1 20.8 1.0 42.147 31.833002 65.113 1 735 +ATOM N ND2 ' ' ASN A 1 84 . 84 ASN A ND2 26.53 1.0 40.142998 30.844002 65.317 1 736 +ATOM N N ' ' HIS A 1 85 . 85 HIS A N 15.4 1.0 39.153 35.426003 62.742004 1 737 +ATOM C CA ' ' HIS A 1 85 . 85 HIS A CA 17.88 1.0 38.656 36.059002 61.539 1 738 +ATOM C C ' ' HIS A 1 85 . 85 HIS A C 20.88 1.0 37.510998 36.944 62.009003 1 739 +ATOM O O ' ' HIS A 1 85 . 85 HIS A O 20.48 1.0 36.665 36.489002 62.771004 1 740 +ATOM C CB ' ' HIS A 1 85 . 85 HIS A CB 18.39 1.0 38.208 34.97 60.531998 1 741 +ATOM C CG ' ' HIS A 1 85 . 85 HIS A CG 18.01 1.0 37.579998 35.494003 59.267998 1 742 +ATOM N ND1 ' ' HIS A 1 85 . 85 HIS A ND1 17.76 1.0 38.114998 36.549 58.553 1 743 +ATOM C CD2 ' ' HIS A 1 85 . 85 HIS A CD2 21.42 1.0 36.52 35.043003 58.541 1 744 +ATOM C CE1 ' ' HIS A 1 85 . 85 HIS A CE1 23.01 1.0 37.391 36.745003 57.462997 1 745 +ATOM N NE2 ' ' HIS A 1 85 . 85 HIS A NE2 17.77 1.0 36.422 35.854 57.446 1 746 +ATOM N N ' ' THR A 1 86 . 86 THR A N 18.74 1.0 37.495 38.206 61.584 1 747 +ATOM C CA ' ' THR A 1 86 . 86 THR A CA 16.66 1.0 36.556 39.176003 62.162003 1 748 +ATOM C C ' ' THR A 1 86 . 86 THR A C 19.16 1.0 35.274998 39.338 61.334 1 749 +ATOM O O ' ' THR A 1 86 . 86 THR A O 19.92 1.0 34.426 40.143 61.703003 1 750 +ATOM C CB ' ' THR A 1 86 . 86 THR A CB 20.01 1.0 37.21 40.557003 62.298004 1 751 +ATOM O OG1 ' ' THR A 1 86 . 86 THR A OG1 23.92 1.0 37.516 41.082 60.992004 1 752 +ATOM C CG2 ' ' THR A 1 86 . 86 THR A CG2 19.88 1.0 38.524 40.49 63.130005 1 753 +ATOM N N ' ' GLU A 1 87 . 87 GLU A N 18.52 1.0 35.075 38.557003 60.284004 1 754 +ATOM C CA ' ' GLU A 1 87 . 87 GLU A CA 18.97 1.0 33.876 38.779003 59.46 1 755 +ATOM C C ' ' GLU A 1 87 . 87 GLU A C 19.47 1.0 32.636997 38.534 60.334 1 756 +ATOM O O ' ' GLU A 1 87 . 87 GLU A O 18.57 1.0 32.658 37.657 61.203003 1 757 +ATOM C CB ' ' GLU A 1 87 . 87 GLU A CB 19.91 1.0 33.89 37.863003 58.238 1 758 +ATOM C CG ' ' GLU A 1 87 . 87 GLU A CG 20.17 1.0 32.711 38.156002 57.257004 1 759 +ATOM C CD ' ' GLU A 1 87 . 87 GLU A CD 31.37 1.0 32.812 37.414 55.974 1 760 +ATOM O OE1 ' ' GLU A 1 87 . 87 GLU A OE1 24.84 1.0 33.892 36.873 55.756004 1 761 +ATOM O OE2 ' ' GLU A 1 87 . 87 GLU A OE2 32.83 1.0 31.855 37.428 55.168 1 762 +ATOM N N ' ' PRO A 1 88 . 88 PRO A N 18.43 1.0 31.542 39.277 60.149002 1 763 +ATOM C CA ' ' PRO A 1 88 . 88 PRO A CA 16.67 1.0 30.454998 39.191 61.14 1 764 +ATOM C C ' ' PRO A 1 88 . 88 PRO A C 16.78 1.0 29.716 37.886 61.187004 1 765 +ATOM O O ' ' PRO A 1 88 . 88 PRO A O 20.88 1.0 28.901001 37.704002 62.134003 1 766 +ATOM C CB ' ' PRO A 1 88 . 88 PRO A CB 23.41 1.0 29.529999 40.372 60.739 1 767 +ATOM C CG ' ' PRO A 1 88 . 88 PRO A CG 24.85 1.0 30.521 41.396 60.272003 1 768 +ATOM C CD ' ' PRO A 1 88 . 88 PRO A CD 21.98 1.0 31.462997 40.58 59.417 1 769 +ATOM N N ' ' ASP A 1 89 . 89 ASP A N 15.22 1.0 29.915 36.934002 60.219 1 770 +ATOM C CA ' ' ASP A 1 89 . 89 ASP A CA 13.46 1.0 29.274998 35.636 60.484 1 771 +ATOM C C ' ' ASP A 1 89 . 89 ASP A C 18.3 1.0 29.940998 34.9 61.653 1 772 +ATOM O O ' ' ASP A 1 89 . 89 ASP A O 19.98 1.0 29.329998 33.977 62.224 1 773 +ATOM C CB ' ' ASP A 1 89 . 89 ASP A CB 19.63 1.0 29.287998 34.723 59.218002 1 774 +ATOM C CG ' ' ASP A 1 89 . 89 ASP A CG 27.17 1.0 30.679 34.596 58.533005 1 775 +ATOM O OD1 ' ' ASP A 1 89 . 89 ASP A OD1 21.94 1.0 31.451 35.59 58.485 1 776 +ATOM O OD2 ' ' ASP A 1 89 . 89 ASP A OD2 20.72 1.0 31.014 33.482002 58.007004 1 777 +ATOM N N ' ' HIS A 1 90 . 90 HIS A N 16.86 1.0 31.125 35.338 62.068 1 778 +ATOM C CA ' ' HIS A 1 90 . 90 HIS A CA 15.49 1.0 31.793 34.788002 63.244003 1 779 +ATOM C C ' ' HIS A 1 90 . 90 HIS A C 18.64 1.0 31.848999 35.77 64.396 1 780 +ATOM O O ' ' HIS A 1 90 . 90 HIS A O 20.9 1.0 31.927998 35.332 65.535 1 781 +ATOM C CB ' ' HIS A 1 90 . 90 HIS A CB 15.9 1.0 33.247997 34.338 62.913002 1 782 +ATOM C CG ' ' HIS A 1 90 . 90 HIS A CG 19.46 1.0 33.288998 33.423 61.725998 1 783 +ATOM N ND1 ' ' HIS A 1 90 . 90 HIS A ND1 19.17 1.0 32.954998 32.086002 61.817 1 784 +ATOM C CD2 ' ' HIS A 1 90 . 90 HIS A CD2 20.15 1.0 33.427 33.693 60.4 1 785 +ATOM C CE1 ' ' HIS A 1 90 . 90 HIS A CE1 17.47 1.0 32.922 31.552002 60.593002 1 786 +ATOM N NE2 ' ' HIS A 1 90 . 90 HIS A NE2 19.89 1.0 33.232998 32.503002 59.725 1 787 +ATOM N N ' ' SER A 1 91 . 91 SER A N 15.24 1.0 31.937 37.071003 64.129 1 788 +ATOM C CA ' ' SER A 1 91 . 91 SER A CA 19.59 1.0 32.148 38.051003 65.207 1 789 +ATOM C C ' ' SER A 1 91 . 91 SER A C 20.94 1.0 30.872997 38.795002 65.606 1 790 +ATOM O O ' ' SER A 1 91 . 91 SER A O 19.06 1.0 30.937 39.636 66.49 1 791 +ATOM C CB ' ' SER A 1 91 . 91 SER A CB 18.97 1.0 33.221 39.062 64.779 1 792 +ATOM O OG ' ' SER A 1 91 . 91 SER A OG 20.12 1.0 32.711998 39.827003 63.653 1 793 +ATOM N N ' ' GLY A 1 92 . 92 GLY A N 19.21 1.0 29.75 38.586002 64.906 1 794 +ATOM C CA ' ' GLY A 1 92 . 92 GLY A CA 21.04 1.0 28.571 39.378002 65.18 1 795 +ATOM C C ' ' GLY A 1 92 . 92 GLY A C 19.11 1.0 28.066998 39.260002 66.609 1 796 +ATOM O O ' ' GLY A 1 92 . 92 GLY A O 19.66 1.0 27.418 40.168003 67.109 1 797 +ATOM N N ' ' SER A 1 93 . 93 SER A N 19.3 1.0 28.335999 38.138 67.270004 1 798 +ATOM C CA ' ' SER A 1 93 . 93 SER A CA 18.98 1.0 27.905998 37.97 68.655 1 799 +ATOM C C ' ' SER A 1 93 . 93 SER A C 19.74 1.0 28.896 38.573 69.64 1 800 +ATOM O O ' ' SER A 1 93 . 93 SER A O 22.77 1.0 28.600998 38.573 70.831 1 801 +ATOM C CB ' ' SER A 1 93 . 93 SER A CB 18.71 1.0 27.698997 36.497 68.989 1 802 +ATOM O OG ' ' SER A 1 93 . 93 SER A OG 22.1 1.0 28.899998 35.773003 68.706 1 803 +ATOM N N ' ' LEU A 1 94 . 94 LEU A N 17.94 1.0 29.975998 39.18 69.168 1 804 +ATOM C CA ' ' LEU A 1 94 . 94 LEU A CA 21.06 1.0 31.015 39.562 70.151 1 805 +ATOM C C ' ' LEU A 1 94 . 94 LEU A C 22.09 1.0 30.572998 40.741 71.044 1 806 +ATOM O O ' ' LEU A 1 94 . 94 LEU A O 19.15 1.0 30.82 40.716003 72.268 1 807 +ATOM C CB ' ' LEU A 1 94 . 94 LEU A CB 17.84 1.0 32.322 39.871002 69.383 1 808 +ATOM C CG ' ' LEU A 1 94 . 94 LEU A CG 23.16 1.0 33.535 40.322002 70.222 1 809 +ATOM C CD1 ' ' LEU A 1 94 . 94 LEU A CD1 20.22 1.0 33.822998 39.203003 71.251 1 810 +ATOM C CD2 ' ' LEU A 1 94 . 94 LEU A CD2 22.34 1.0 34.687 40.524002 69.234 1 811 +ATOM N N ' ' PRO A 1 95 . 95 PRO A N 24.1 1.0 29.929 41.798 70.513 1 812 +ATOM C CA ' ' PRO A 1 95 . 95 PRO A CA 25.9 1.0 29.48 42.866 71.437004 1 813 +ATOM C C ' ' PRO A 1 95 . 95 PRO A C 25.43 1.0 28.592 42.362 72.558 1 814 +ATOM O O ' ' PRO A 1 95 . 95 PRO A O 24.1 1.0 28.764 42.753002 73.729004 1 815 +ATOM C CB ' ' PRO A 1 95 . 95 PRO A CB 26.76 1.0 28.717999 43.843002 70.511 1 816 +ATOM C CG ' ' PRO A 1 95 . 95 PRO A CG 26.75 1.0 29.383999 43.646004 69.152 1 817 +ATOM C CD ' ' PRO A 1 95 . 95 PRO A CD 19.39 1.0 29.737999 42.179 69.084 1 818 +ATOM N N ' ' ALA A 1 96 . 96 ALA A N 21.58 1.0 27.617 41.534 72.232 1 819 +ATOM C CA ' ' ALA A 1 96 . 96 ALA A CA 20.0 1.0 26.749 40.981003 73.265 1 820 +ATOM C C ' ' ALA A 1 96 . 96 ALA A C 25.67 1.0 27.501 40.07 74.215004 1 821 +ATOM O O ' ' ALA A 1 96 . 96 ALA A O 24.91 1.0 27.166 39.993 75.404 1 822 +ATOM C CB ' ' ALA A 1 96 . 96 ALA A CB 25.23 1.0 25.606998 40.193 72.651 1 823 +ATOM N N ' ' THR A 1 97 . 97 THR A N 18.32 1.0 28.459 39.317 73.694 1 824 +ATOM C CA ' ' THR A 1 97 . 97 THR A CA 22.25 1.0 29.304 38.494003 74.551 1 825 +ATOM C C ' ' THR A 1 97 . 97 THR A C 20.43 1.0 30.078999 39.352 75.536 1 826 +ATOM O O ' ' THR A 1 97 . 97 THR A O 27.58 1.0 30.085 39.07 76.74 1 827 +ATOM C CB ' ' THR A 1 97 . 97 THR A CB 23.42 1.0 30.251 37.65 73.683 1 828 +ATOM O OG1 ' ' THR A 1 97 . 97 THR A OG1 21.82 1.0 29.439 36.797 72.863 1 829 +ATOM C CG2 ' ' THR A 1 97 . 97 THR A CG2 18.8 1.0 31.165 36.727 74.586 1 830 +ATOM N N ' ' LEU A 1 98 . 98 LEU A N 21.4 1.0 30.737 40.399002 75.044 1 831 +ATOM C CA ' ' LEU A 1 98 . 98 LEU A CA 25.49 1.0 31.517998 41.277 75.922005 1 832 +ATOM C C ' ' LEU A 1 98 . 98 LEU A C 29.41 1.0 30.636997 41.898003 76.99 1 833 +ATOM O O ' ' LEU A 1 98 . 98 LEU A O 24.07 1.0 31.048 42.026 78.151 1 834 +ATOM C CB ' ' LEU A 1 98 . 98 LEU A CB 19.5 1.0 32.203 42.359 75.102 1 835 +ATOM C CG ' ' LEU A 1 98 . 98 LEU A CG 22.01 1.0 33.308 41.83 74.193 1 836 +ATOM C CD1 ' ' LEU A 1 98 . 98 LEU A CD1 25.13 1.0 33.913 42.949 73.363 1 837 +ATOM C CD2 ' ' LEU A 1 98 . 98 LEU A CD2 22.15 1.0 34.445 41.081 75.044 1 838 +ATOM N N ' ' LYS A 1 99 . 99 LYS A N 23.86 1.0 29.397999 42.225002 76.636 1 839 +ATOM C CA ' ' LYS A 1 99 . 99 LYS A CA 24.06 1.0 28.5 42.833 77.611 1 840 +ATOM C C ' ' LYS A 1 99 . 99 LYS A C 28.17 1.0 28.072998 41.824 78.67 1 841 +ATOM O O ' ' LYS A 1 99 . 99 LYS A O 28.75 1.0 28.043999 42.15 79.857 1 842 +ATOM C CB ' ' LYS A 1 99 . 99 LYS A CB 28.77 1.0 27.305 43.464 76.877 1 843 +ATOM C CG ' ' LYS A 1 99 . 99 LYS A CG 37.63 1.0 26.231998 44.014 77.788 1 844 +ATOM N N ' ' THR A 1 100 . 100 THR A N 21.94 1.0 27.847 40.57 78.289 1 845 +ATOM C CA ' ' THR A 1 100 . 100 THR A CA 23.86 1.0 27.384998 39.550003 79.232 1 846 +ATOM C C ' ' THR A 1 100 . 100 THR A C 28.68 1.0 28.516998 39.144 80.159004 1 847 +ATOM O O ' ' THR A 1 100 . 100 THR A O 29.23 1.0 28.287998 38.844 81.332 1 848 +ATOM C CB ' ' THR A 1 100 . 100 THR A CB 26.38 1.0 26.882 38.342003 78.451004 1 849 +ATOM O OG1 ' ' THR A 1 100 . 100 THR A OG1 31.98 1.0 25.905998 38.813 77.5 1 850 +ATOM C CG2 ' ' THR A 1 100 . 100 THR A CG2 28.38 1.0 26.231998 37.25 79.295 1 851 +ATOM N N ' ' ILE A 1 101 . 101 ILE A N 21.81 1.0 29.742 39.096 79.646 1 852 +ATOM C CA ' ' ILE A 1 101 . 101 ILE A CA 23.55 1.0 30.862999 38.758003 80.552 1 853 +ATOM C C ' ' ILE A 1 101 . 101 ILE A C 30.01 1.0 30.98 39.81 81.642 1 854 +ATOM O O ' ' ILE A 1 101 . 101 ILE A O 29.32 1.0 31.210999 39.488003 82.818 1 855 +ATOM C CB ' ' ILE A 1 101 . 101 ILE A CB 24.71 1.0 32.183 38.614002 79.754 1 856 +ATOM C CG1 ' ' ILE A 1 101 . 101 ILE A CG1 21.09 1.0 32.085 37.43 78.768 1 857 +ATOM C CG2 ' ' ILE A 1 101 . 101 ILE A CG2 22.88 1.0 33.437 38.476 80.699 1 858 +ATOM C CD1 ' ' ILE A 1 101 . 101 ILE A CD1 21.04 1.0 33.148 37.456 77.739 1 859 +ATOM N N ' ' GLY A 1 102 . 102 GLY A N 24.26 1.0 30.876999 41.077003 81.264 1 860 +ATOM C CA ' ' GLY A 1 102 . 102 GLY A CA 26.67 1.0 30.772 42.183002 82.21 1 861 +ATOM C C ' ' GLY A 1 102 . 102 GLY A C 30.57 1.0 32.078 42.673 82.782 1 862 +ATOM O O ' ' GLY A 1 102 . 102 GLY A O 29.18 1.0 32.069 43.583 83.62 1 863 +ATOM N N ' ' HIS A 1 103 . 103 HIS A N 26.02 1.0 33.207 42.118 82.369 1 864 +ATOM C CA ' ' HIS A 1 103 . 103 HIS A CA 26.69 1.0 34.502 42.664 82.756004 1 865 +ATOM C C ' ' HIS A 1 103 . 103 HIS A C 30.48 1.0 35.404 42.56 81.55 1 866 +ATOM O O ' ' HIS A 1 103 . 103 HIS A O 29.23 1.0 35.085 41.836002 80.593 1 867 +ATOM C CB ' ' HIS A 1 103 . 103 HIS A CB 26.48 1.0 35.078 41.914 83.978004 1 868 +ATOM C CG ' ' HIS A 1 103 . 103 HIS A CG 23.43 1.0 35.161 40.424004 83.812004 1 869 +ATOM N ND1 ' ' HIS A 1 103 . 103 HIS A ND1 24.82 1.0 36.173 39.811 83.094 1 870 +ATOM C CD2 ' ' HIS A 1 103 . 103 HIS A CD2 23.09 1.0 34.403 39.427002 84.324 1 871 +ATOM C CE1 ' ' HIS A 1 103 . 103 HIS A CE1 24.34 1.0 36.003998 38.502003 83.14 1 872 +ATOM N NE2 ' ' HIS A 1 103 . 103 HIS A NE2 24.98 1.0 34.94 38.244003 83.886 1 873 +ATOM N N ' ' ASP A 1 104 . 104 ASP A N 29.89 1.0 36.538 43.260002 81.617004 1 874 +ATOM C CA ' ' ASP A 1 104 . 104 ASP A CA 31.98 1.0 37.551 43.174004 80.571 1 875 +ATOM C C ' ' ASP A 1 104 . 104 ASP A C 29.58 1.0 38.036 41.735 80.407 1 876 +ATOM O O ' ' ASP A 1 104 . 104 ASP A O 28.1 1.0 38.147 40.957 81.374 1 877 +ATOM C CB ' ' ASP A 1 104 . 104 ASP A CB 46.26 1.0 38.75 44.078003 80.874 1 878 +ATOM C CG ' ' ASP A 1 104 . 104 ASP A CG 57.69 1.0 38.43 45.569 80.711 1 879 +ATOM O OD1 ' ' ASP A 1 104 . 104 ASP A OD1 56.15 1.0 37.437 45.929 80.034004 1 880 +ATOM O OD2 ' ' ASP A 1 104 . 104 ASP A OD2 63.96 1.0 39.195 46.382004 81.267 1 881 +ATOM N N ' ' VAL A 1 105 . 105 VAL A N 26.92 1.0 38.336 41.382 79.159004 1 882 +ATOM C CA ' ' VAL A 1 105 . 105 VAL A CA 26.78 1.0 38.927 40.088 78.845 1 883 +ATOM C C ' ' VAL A 1 105 . 105 VAL A C 22.85 1.0 40.029 40.396 77.85 1 884 +ATOM O O ' ' VAL A 1 105 . 105 VAL A O 25.84 1.0 40.05 41.464 77.24 1 885 +ATOM C CB ' ' VAL A 1 105 . 105 VAL A CB 28.58 1.0 37.92 39.068 78.25 1 886 +ATOM C CG1 ' ' VAL A 1 105 . 105 VAL A CG1 27.14 1.0 36.912 38.66 79.294 1 887 +ATOM C CG2 ' ' VAL A 1 105 . 105 VAL A CG2 27.45 1.0 37.21 39.682003 77.013 1 888 +ATOM N N ' ' GLU A 1 106 . 106 GLU A N 21.66 1.0 40.954998 39.457 77.678 1 889 +ATOM C CA ' ' GLU A 1 106 . 106 GLU A CA 20.69 1.0 41.978 39.65 76.641 1 890 +ATOM C C ' ' GLU A 1 106 . 106 GLU A C 22.0 1.0 41.395 39.164 75.335 1 891 +ATOM O O ' ' GLU A 1 106 . 106 GLU A O 21.46 1.0 41.001 37.996002 75.258 1 892 +ATOM C CB ' ' GLU A 1 106 . 106 GLU A CB 22.05 1.0 43.264 38.865 76.911 1 893 +ATOM C CG ' ' GLU A 1 106 . 106 GLU A CG 22.49 1.0 44.309 39.257 75.880005 1 894 +ATOM C CD ' ' GLU A 1 106 . 106 GLU A CD 33.77 1.0 45.670998 38.662003 76.108 1 895 +ATOM O OE1 ' ' GLU A 1 106 . 106 GLU A OE1 33.88 1.0 45.793 37.844 77.015 1 896 +ATOM O OE2 ' ' GLU A 1 106 . 106 GLU A OE2 39.04 1.0 46.599 39.017002 75.339005 1 897 +ATOM N N ' ' ILE A 1 107 . 107 ILE A N 21.37 1.0 41.365997 40.025 74.331 1 898 +ATOM C CA ' ' ILE A 1 107 . 107 ILE A CA 18.63 1.0 40.868 39.65 73.007 1 899 +ATOM C C ' ' ILE A 1 107 . 107 ILE A C 23.41 1.0 42.093 39.531002 72.125 1 900 +ATOM O O ' ' ILE A 1 107 . 107 ILE A O 22.9 1.0 42.917 40.440002 72.099 1 901 +ATOM C CB ' ' ILE A 1 107 . 107 ILE A CB 19.77 1.0 39.892 40.704002 72.47 1 902 +ATOM C CG1 ' ' ILE A 1 107 . 107 ILE A CG1 20.18 1.0 38.717 40.841003 73.455 1 903 +ATOM C CG2 ' ' ILE A 1 107 . 107 ILE A CG2 19.79 1.0 39.51 40.337 71.024 1 904 +ATOM C CD1 ' ' ILE A 1 107 . 107 ILE A CD1 24.52 1.0 37.716 42.038002 73.071 1 905 +ATOM N N ' ' ILE A 1 108 . 108 ILE A N 20.1 1.0 42.256 38.387 71.465004 1 906 +ATOM C CA ' ' ILE A 1 108 . 108 ILE A CA 16.18 1.0 43.438 38.120003 70.646 1 907 +ATOM C C ' ' ILE A 1 108 . 108 ILE A C 21.38 1.0 43.065 38.11 69.174 1 908 +ATOM O O ' ' ILE A 1 108 . 108 ILE A O 21.73 1.0 42.170998 37.357002 68.778 1 909 +ATOM C CB ' ' ILE A 1 108 . 108 ILE A CB 21.14 1.0 44.065 36.772003 71.074 1 910 +ATOM C CG1 ' ' ILE A 1 108 . 108 ILE A CG1 25.43 1.0 44.593 36.947002 72.522 1 911 +ATOM C CG2 ' ' ILE A 1 108 . 108 ILE A CG2 20.32 1.0 45.225998 36.397003 70.086 1 912 +ATOM C CD1 ' ' ILE A 1 108 . 108 ILE A CD1 27.29 1.0 44.891 35.651 73.249 1 913 +ATOM N N ' ' ALA A 1 109 . 109 ALA A N 16.51 1.0 43.799 38.850002 68.347 1 914 +ATOM C CA ' ' ALA A 1 109 . 109 ALA A CA 19.64 1.0 43.495 38.836002 66.908005 1 915 +ATOM C C ' ' ALA A 1 109 . 109 ALA A C 24.0 1.0 44.772 39.171 66.173004 1 916 +ATOM O O ' ' ALA A 1 109 . 109 ALA A O 24.3 1.0 45.778 39.555 66.792 1 917 +ATOM C CB ' ' ALA A 1 109 . 109 ALA A CB 19.86 1.0 42.396 39.852 66.561005 1 918 +ATOM N N ' ' SER A 1 110 . 110 SER A N 21.64 1.0 44.709 39.079002 64.85 1 919 +ATOM C CA ' ' SER A 1 110 . 110 SER A CA 22.08 1.0 45.819 39.497 63.994003 1 920 +ATOM C C ' ' SER A 1 110 . 110 SER A C 26.38 1.0 45.885998 41.019 63.918 1 921 +ATOM O O ' ' SER A 1 110 . 110 SER A O 23.42 1.0 45.014 41.734 64.409004 1 922 +ATOM C CB ' ' SER A 1 110 . 110 SER A CB 25.75 1.0 45.67 38.933002 62.579002 1 923 +ATOM O OG ' ' SER A 1 110 . 110 SER A OG 24.62 1.0 44.577 39.555 61.895004 1 924 +ATOM N N ' ' ASN A 1 111 . 111 ASN A N 26.05 1.0 46.934 41.531002 63.279 1 925 +ATOM C CA ' ' ASN A 1 111 . 111 ASN A CA 29.41 1.0 47.054 42.989002 63.206 1 926 +ATOM C C ' ' ASN A 1 111 . 111 ASN A C 26.77 1.0 45.867 43.592003 62.468002 1 927 +ATOM O O ' ' ASN A 1 111 . 111 ASN A O 27.24 1.0 45.243 44.553 62.93 1 928 +ATOM C CB ' ' ASN A 1 111 . 111 ASN A CB 32.0 1.0 48.343998 43.381 62.496002 1 929 +ATOM C CG ' ' ASN A 1 111 . 111 ASN A CG 39.01 1.0 48.593998 44.892002 62.595 1 930 +ATOM O OD1 ' ' ASN A 1 111 . 111 ASN A OD1 52.24 1.0 48.392 45.620003 61.64 1 931 +ATOM N ND2 ' ' ASN A 1 111 . 111 ASN A ND2 43.31 1.0 48.982 45.352 63.771004 1 932 +ATOM N N ' ' PHE A 1 112 . 112 PHE A N 24.41 1.0 45.528 43.015 61.329002 1 933 +ATOM C CA ' ' PHE A 1 112 . 112 PHE A CA 24.35 1.0 44.401 43.517002 60.569 1 934 +ATOM C C ' ' PHE A 1 112 . 112 PHE A C 23.87 1.0 43.093998 43.216003 61.281 1 935 +ATOM O O ' ' PHE A 1 112 . 112 PHE A O 24.45 1.0 42.166 44.036003 61.237 1 936 +ATOM C CB ' ' PHE A 1 112 . 112 PHE A CB 27.92 1.0 44.403 42.918003 59.173004 1 937 +ATOM C CG ' ' PHE A 1 112 . 112 PHE A CG 34.01 1.0 43.923 43.856003 58.15 1 938 +ATOM C CD1 ' ' PHE A 1 112 . 112 PHE A CD1 46.52 1.0 44.793 44.721 57.521004 1 939 +ATOM C CD2 ' ' PHE A 1 112 . 112 PHE A CD2 39.04 1.0 42.586 43.892002 57.827003 1 940 +ATOM C CE1 ' ' PHE A 1 112 . 112 PHE A CE1 46.92 1.0 44.334 45.596 56.559998 1 941 +ATOM C CE2 ' ' PHE A 1 112 . 112 PHE A CE2 49.39 1.0 42.11 44.765 56.853004 1 942 +ATOM C CZ ' ' PHE A 1 112 . 112 PHE A CZ 51.47 1.0 42.996 45.637 56.239 1 943 +ATOM N N ' ' GLY A 1 113 . 113 GLY A N 21.7 1.0 43.021 42.074 61.965004 1 944 +ATOM C CA ' ' GLY A 1 113 . 113 GLY A CA 20.19 1.0 41.864998 41.775 62.808 1 945 +ATOM C C ' ' GLY A 1 113 . 113 GLY A C 22.04 1.0 41.579 42.858 63.827003 1 946 +ATOM O O ' ' GLY A 1 113 . 113 GLY A O 21.54 1.0 40.438 43.285004 63.999 1 947 +ATOM N N ' ' LYS A 1 114 . 114 LYS A N 21.63 1.0 42.617 43.283 64.566 1 948 +ATOM C CA ' ' LYS A 1 114 . 114 LYS A CA 23.32 1.0 42.432 44.393 65.49 1 949 +ATOM C C ' ' LYS A 1 114 . 114 LYS A C 20.54 1.0 41.812 45.619003 64.822 1 950 +ATOM O O ' ' LYS A 1 114 . 114 LYS A O 24.58 1.0 40.893997 46.230003 65.383 1 951 +ATOM C CB ' ' LYS A 1 114 . 114 LYS A CB 23.26 1.0 43.772 44.75 66.134 1 952 +ATOM C CG ' ' LYS A 1 114 . 114 LYS A CG 27.06 1.0 43.670998 46.035004 66.945 1 953 +ATOM C CD ' ' LYS A 1 114 . 114 LYS A CD 28.16 1.0 44.91 46.186 67.775 1 954 +ATOM C CE ' ' LYS A 1 114 . 114 LYS A CE 32.87 1.0 44.739998 47.346 68.803 1 955 +ATOM N NZ ' ' LYS A 1 114 . 114 LYS A NZ 38.41 1.0 45.814 47.202003 69.856 1 956 +ATOM N N ' ' ARG A 1 115 . 115 ARG A N 21.22 1.0 42.333 46.031002 63.67 1 957 +ATOM C CA ' ' ARG A 1 115 . 115 ARG A CA 27.89 1.0 41.779 47.201 62.961998 1 958 +ATOM C C ' ' ARG A 1 115 . 115 ARG A C 27.75 1.0 40.308 47.015 62.620003 1 959 +ATOM O O ' ' ARG A 1 115 . 115 ARG A O 23.83 1.0 39.503998 47.959 62.72 1 960 +ATOM C CB ' ' ARG A 1 115 . 115 ARG A CB 28.71 1.0 42.584 47.45 61.678 1 961 +ATOM C CG ' ' ARG A 1 115 . 115 ARG A CG 37.97 1.0 44.065998 47.842003 62.028 1 962 +ATOM C CD ' ' ARG A 1 115 . 115 ARG A CD 45.13 1.0 45.018997 47.804 60.821 1 963 +ATOM N NE ' ' ARG A 1 115 . 115 ARG A NE 56.65 1.0 44.589 48.65 59.712997 1 964 +ATOM C CZ ' ' ARG A 1 115 . 115 ARG A CZ 76.23 1.0 45.261997 48.774002 58.575005 1 965 +ATOM N NH1 ' ' ARG A 1 115 . 115 ARG A NH1 74.02 1.0 46.423 48.157 58.386 1 966 +ATOM N NH2 ' ' ARG A 1 115 . 115 ARG A NH2 68.74 1.0 44.757 49.526 57.598 1 967 +ATOM N N ' ' LEU A 1 116 . 116 LEU A N 23.78 1.0 39.933 45.801003 62.196 1 968 +ATOM C CA ' ' LEU A 1 116 . 116 LEU A CA 21.03 1.0 38.548 45.558002 61.777 1 969 +ATOM C C ' ' LEU A 1 116 . 116 LEU A C 19.61 1.0 37.621 45.497 62.984 1 970 +ATOM O O ' ' LEU A 1 116 . 116 LEU A O 22.25 1.0 36.468998 45.959 62.899002 1 971 +ATOM C CB ' ' LEU A 1 116 . 116 LEU A CB 17.96 1.0 38.465 44.249 60.965004 1 972 +ATOM C CG ' ' LEU A 1 116 . 116 LEU A CG 23.82 1.0 39.135998 44.339 59.593002 1 973 +ATOM C CD1 ' ' LEU A 1 116 . 116 LEU A CD1 26.47 1.0 39.285 42.908 58.936005 1 974 +ATOM C CD2 ' ' LEU A 1 116 . 116 LEU A CD2 28.35 1.0 38.313 45.27 58.65 1 975 +ATOM N N ' ' LEU A 1 117 . 117 LEU A N 19.92 1.0 38.093 44.978 64.121 1 976 +ATOM C CA ' ' LEU A 1 117 . 117 LEU A CA 21.96 1.0 37.202 44.957 65.284004 1 977 +ATOM C C ' ' LEU A 1 117 . 117 LEU A C 21.28 1.0 36.927998 46.373 65.769005 1 978 +ATOM O O ' ' LEU A 1 117 . 117 LEU A O 22.56 1.0 35.863 46.644 66.328 1 979 +ATOM C CB ' ' LEU A 1 117 . 117 LEU A CB 22.11 1.0 37.79 44.143 66.447 1 980 +ATOM C CG ' ' LEU A 1 117 . 117 LEU A CG 19.68 1.0 37.892 42.629 66.15 1 981 +ATOM C CD1 ' ' LEU A 1 117 . 117 LEU A CD1 22.78 1.0 38.7 41.908 67.217 1 982 +ATOM C CD2 ' ' LEU A 1 117 . 117 LEU A CD2 21.88 1.0 36.479 42.023003 66.023 1 983 +ATOM N N ' ' GLU A 1 118 . 118 GLU A N 21.0 1.0 37.905 47.244003 65.629 1 984 +ATOM C CA ' ' GLU A 1 118 . 118 GLU A CA 24.54 1.0 37.663998 48.662003 65.956 1 985 +ATOM C C ' ' GLU A 1 118 . 118 GLU A C 25.23 1.0 36.677 49.275 64.965004 1 986 +ATOM O O ' ' GLU A 1 118 . 118 GLU A O 29.47 1.0 35.697 49.905003 65.366005 1 987 +ATOM C CB ' ' GLU A 1 118 . 118 GLU A CB 28.59 1.0 38.989998 49.421 65.942 1 988 +ATOM C CG ' ' GLU A 1 118 . 118 GLU A CG 40.26 1.0 38.834 50.903 66.417 1 989 +ATOM N N ' ' GLY A 1 119 . 119 GLY A N 25.54 1.0 36.864 49.012 63.673004 1 990 +ATOM C CA ' ' GLY A 1 119 . 119 GLY A CA 29.17 1.0 35.971 49.593002 62.656 1 991 +ATOM C C ' ' GLY A 1 119 . 119 GLY A C 32.81 1.0 34.547 49.081 62.748 1 992 +ATOM O O ' ' GLY A 1 119 . 119 GLY A O 28.7 1.0 33.593 49.854 62.65 1 993 +ATOM N N ' ' PHE A 1 120 . 120 PHE A N 24.79 1.0 34.381 47.769 62.944 1 994 +ATOM C CA ' ' PHE A 1 120 . 120 PHE A CA 22.04 1.0 33.052 47.174004 63.053 1 995 +ATOM C C ' ' PHE A 1 120 . 120 PHE A C 25.27 1.0 32.336 47.563004 64.337 1 996 +ATOM O O ' ' PHE A 1 120 . 120 PHE A O 23.79 1.0 31.133999 47.870003 64.326004 1 997 +ATOM C CB ' ' PHE A 1 120 . 120 PHE A CB 19.73 1.0 33.173 45.658 63.020004 1 998 +ATOM C CG ' ' PHE A 1 120 . 120 PHE A CG 29.76 1.0 33.517 45.101 61.631004 1 999 +ATOM C CD1 ' ' PHE A 1 120 . 120 PHE A CD1 41.33 1.0 33.149998 45.782 60.471 1 1000 +ATOM C CD2 ' ' PHE A 1 120 . 120 PHE A CD2 25.9 1.0 34.155 43.870003 61.510002 1 1001 +ATOM C CE1 ' ' PHE A 1 120 . 120 PHE A CE1 44.74 1.0 33.462997 45.258003 59.195 1 1002 +ATOM C CE2 ' ' PHE A 1 120 . 120 PHE A CE2 27.0 1.0 34.482998 43.337 60.25 1 1003 +ATOM C CZ ' ' PHE A 1 120 . 120 PHE A CZ 29.39 1.0 34.135998 44.025 59.087997 1 1004 +ATOM N N ' ' TYR A 1 121 . 121 TYR A N 22.47 1.0 33.031 47.431 65.483 1 1005 +ATOM C CA ' ' TYR A 1 121 . 121 TYR A CA 21.43 1.0 32.353 47.4 66.751 1 1006 +ATOM C C ' ' TYR A 1 121 . 121 TYR A C 22.7 1.0 32.881 48.424004 67.733 1 1007 +ATOM O O ' ' TYR A 1 121 . 121 TYR A O 25.37 1.0 32.339 48.501 68.839005 1 1008 +ATOM C CB ' ' TYR A 1 121 . 121 TYR A CB 22.8 1.0 32.503998 46.021004 67.395004 1 1009 +ATOM C CG ' ' TYR A 1 121 . 121 TYR A CG 23.37 1.0 32.079 44.9 66.461 1 1010 +ATOM C CD1 ' ' TYR A 1 121 . 121 TYR A CD1 23.74 1.0 30.772999 44.849003 65.987 1 1011 +ATOM C CD2 ' ' TYR A 1 121 . 121 TYR A CD2 20.85 1.0 32.969997 43.853 66.134 1 1012 +ATOM C CE1 ' ' TYR A 1 121 . 121 TYR A CE1 22.99 1.0 30.337997 43.821 65.129 1 1013 +ATOM C CE2 ' ' TYR A 1 121 . 121 TYR A CE2 20.43 1.0 32.541 42.760002 65.254 1 1014 +ATOM C CZ ' ' TYR A 1 121 . 121 TYR A CZ 20.06 1.0 31.237 42.785 64.774 1 1015 +ATOM O OH ' ' TYR A 1 121 . 121 TYR A OH 21.28 1.0 30.793999 41.785 63.968002 1 1016 +ATOM N N ' ' GLY A 1 122 . 122 GLY A N 22.91 1.0 33.913 49.186 67.377 1 1017 +ATOM C CA ' ' GLY A 1 122 . 122 GLY A CA 24.96 1.0 34.499 50.106003 68.374 1 1018 +ATOM C C ' ' GLY A 1 122 . 122 GLY A C 28.3 1.0 35.246 49.418 69.51 1 1019 +ATOM O O ' ' GLY A 1 122 . 122 GLY A O 27.31 1.0 35.543 50.043 70.553 1 1020 +ATOM N N ' ' ILE A 1 123 . 123 ILE A N 23.96 1.0 35.565 48.142002 69.343 1 1021 +ATOM C CA ' ' ILE A 1 123 . 123 ILE A CA 26.01 1.0 36.358997 47.417 70.351 1 1022 +ATOM C C ' ' ILE A 1 123 . 123 ILE A C 30.55 1.0 37.795 47.884003 70.248 1 1023 +ATOM O O ' ' ILE A 1 123 . 123 ILE A O 32.3 1.0 38.395 47.846 69.171 1 1024 +ATOM C CB ' ' ILE A 1 123 . 123 ILE A CB 24.74 1.0 36.243 45.895 70.131004 1 1025 +ATOM C CG1 ' ' ILE A 1 123 . 123 ILE A CG1 27.11 1.0 34.801 45.466003 70.384 1 1026 +ATOM C CG2 ' ' ILE A 1 123 . 123 ILE A CG2 30.1 1.0 37.267998 45.145 71.102 1 1027 +ATOM C CD1 ' ' ILE A 1 123 . 123 ILE A CD1 28.77 1.0 34.423 44.082 69.880005 1 1028 +ATOM N N ' ' LYS A 1 124 . 124 LYS A N 34.45 1.0 38.376 48.322002 71.368004 1 1029 +ATOM C CA ' ' LYS A 1 124 . 124 LYS A CA 43.82 1.0 39.651 49.022003 71.258 1 1030 +ATOM C C ' ' LYS A 1 124 . 124 LYS A C 46.46 1.0 40.821 48.238003 71.83 1 1031 +ATOM O O ' ' LYS A 1 124 . 124 LYS A O 51.28 1.0 41.941998 48.363003 71.332 1 1032 +ATOM C CB ' ' LYS A 1 124 . 124 LYS A CB 41.92 1.0 39.589 50.398003 71.962 1 1033 +ATOM C CG ' ' LYS A 1 124 . 124 LYS A CG 39.6 1.0 39.018997 51.539 71.089005 1 1034 +ATOM N N ' ' ASP A 1 125 . 125 ASP A N 34.19 1.0 40.603 47.443 72.859 1 1035 +ATOM C CA ' ' ASP A 1 125 . 125 ASP A CA 48.83 1.0 41.746998 46.885002 73.586 1 1036 +ATOM C C ' ' ASP A 1 125 . 125 ASP A C 44.21 1.0 41.923 45.458 73.077 1 1037 +ATOM O O ' ' ASP A 1 125 . 125 ASP A O 50.36 1.0 41.266 44.515 73.526 1 1038 +ATOM C CB ' ' ASP A 1 125 . 125 ASP A CB 52.1 1.0 41.529 46.984 75.082 1 1039 +ATOM C CG ' ' ASP A 1 125 . 125 ASP A CG 67.76 1.0 41.502 48.433002 75.557 1 1040 +ATOM O OD1 ' ' ASP A 1 125 . 125 ASP A OD1 61.9 1.0 42.405 49.217003 75.147 1 1041 +ATOM O OD2 ' ' ASP A 1 125 . 125 ASP A OD2 72.08 1.0 40.565998 48.789 76.315 1 1042 +ATOM N N ' ' VAL A 1 126 . 126 VAL A N 29.8 1.0 42.742 45.32 72.055 1 1043 +ATOM C CA ' ' VAL A 1 126 . 126 VAL A CA 30.58 1.0 42.934998 44.021004 71.428 1 1044 +ATOM C C ' ' VAL A 1 126 . 126 VAL A C 30.55 1.0 44.43 43.747 71.432 1 1045 +ATOM O O ' ' VAL A 1 126 . 126 VAL A O 32.23 1.0 45.228 44.625 71.071 1 1046 +ATOM C CB ' ' VAL A 1 126 . 126 VAL A CB 29.1 1.0 42.342 43.973 70.003 1 1047 +ATOM C CG1 ' ' VAL A 1 126 . 126 VAL A CG1 22.04 1.0 42.689 42.634003 69.258 1 1048 +ATOM C CG2 ' ' VAL A 1 126 . 126 VAL A CG2 20.85 1.0 40.8 44.189003 70.076004 1 1049 +ATOM N N ' ' THR A 1 127 . 127 THR A N 28.1 1.0 44.795998 42.534 71.83 1 1050 +ATOM C CA ' ' THR A 1 127 . 127 THR A CA 29.02 1.0 46.169 42.043003 71.713 1 1051 +ATOM C C ' ' THR A 1 127 . 127 THR A C 27.45 1.0 46.444 41.5 70.331 1 1052 +ATOM O O ' ' THR A 1 127 . 127 THR A O 27.77 1.0 45.791 40.54 69.916 1 1053 +ATOM C CB ' ' THR A 1 127 . 127 THR A CB 31.0 1.0 46.391 40.908 72.701004 1 1054 +ATOM O OG1 ' ' THR A 1 127 . 127 THR A OG1 27.67 1.0 46.100998 41.378002 73.99 1 1055 +ATOM C CG2 ' ' THR A 1 127 . 127 THR A CG2 31.05 1.0 47.815998 40.357002 72.592 1 1056 +ATOM N N ' ' VAL A 1 128 . 128 VAL A N 24.43 1.0 47.454 42.035 69.656 1 1057 +ATOM C CA ' ' VAL A 1 128 . 128 VAL A CA 25.66 1.0 47.821 41.557003 68.336 1 1058 +ATOM C C ' ' VAL A 1 128 . 128 VAL A C 30.92 1.0 48.816998 40.434002 68.512 1 1059 +ATOM O O ' ' VAL A 1 128 . 128 VAL A O 24.69 1.0 49.811 40.579002 69.238 1 1060 +ATOM C CB ' ' VAL A 1 128 . 128 VAL A CB 27.83 1.0 48.42 42.688004 67.494 1 1061 +ATOM C CG1 ' ' VAL A 1 128 . 128 VAL A CG1 27.36 1.0 49.008 42.116 66.221 1 1062 +ATOM C CG2 ' ' VAL A 1 128 . 128 VAL A CG2 28.35 1.0 47.343 43.797 67.24 1 1063 +ATOM N N ' ' VAL A 1 129 . 129 VAL A N 23.04 1.0 48.593998 39.326 67.836 1 1064 +ATOM C CA ' ' VAL A 1 129 . 129 VAL A CA 24.76 1.0 49.579998 38.257 67.817 1 1065 +ATOM C C ' ' VAL A 1 129 . 129 VAL A C 30.99 1.0 50.187 38.225002 66.425 1 1066 +ATOM O O ' ' VAL A 1 129 . 129 VAL A O 27.33 1.0 49.504997 38.492 65.432 1 1067 +ATOM C CB ' ' VAL A 1 129 . 129 VAL A CB 23.48 1.0 49.011997 36.885002 68.214005 1 1068 +ATOM C CG1 ' ' VAL A 1 129 . 129 VAL A CG1 23.44 1.0 48.754997 36.803 69.708 1 1069 +ATOM C CG2 ' ' VAL A 1 129 . 129 VAL A CG2 23.41 1.0 47.746 36.556 67.402 1 1070 +ATOM N N ' ' LYS A 1 130 . 130 LYS A N 31.09 1.0 51.48 37.916 66.36 1 1071 +ATOM C CA ' ' LYS A 1 130 . 130 LYS A CA 31.77 1.0 52.219997 37.847 65.121 1 1072 +ATOM C C ' ' LYS A 1 130 . 130 LYS A C 25.53 1.0 52.336 36.394 64.655 1 1073 +ATOM O O ' ' LYS A 1 130 . 130 LYS A O 27.35 1.0 52.092 35.447002 65.408005 1 1074 +ATOM C CB ' ' LYS A 1 130 . 130 LYS A CB 33.34 1.0 53.621998 38.458 65.324 1 1075 +ATOM C CG ' ' LYS A 1 130 . 130 LYS A CG 45.15 1.0 53.586 39.904 65.817 1 1076 +ATOM C CD ' ' LYS A 1 130 . 130 LYS A CD 51.51 1.0 55.002 40.487 65.985 1 1077 +ATOM N N ' ' ASP A 1 131 . 131 ASP A N 28.49 1.0 52.809998 36.247 63.426003 1 1078 +ATOM C CA ' ' ASP A 1 131 . 131 ASP A CA 30.96 1.0 52.911 34.942 62.776 1 1079 +ATOM C C ' ' ASP A 1 131 . 131 ASP A C 32.49 1.0 53.844997 34.030003 63.543 1 1080 +ATOM O O ' ' ASP A 1 131 . 131 ASP A O 30.21 1.0 54.999 34.388 63.805 1 1081 +ATOM C CB ' ' ASP A 1 131 . 131 ASP A CB 28.35 1.0 53.395 35.151 61.347 1 1082 +ATOM C CG ' ' ASP A 1 131 . 131 ASP A CG 34.93 1.0 53.161 33.948 60.461998 1 1083 +ATOM O OD1 ' ' ASP A 1 131 . 131 ASP A OD1 25.98 1.0 52.518997 32.956 60.903 1 1084 +ATOM O OD2 ' ' ASP A 1 131 . 131 ASP A OD2 38.34 1.0 53.639 34.010002 59.301003 1 1085 +ATOM N N ' ' GLY A 1 132 . 132 GLY A N 27.2 1.0 53.316998 32.901 64.003 1 1086 +ATOM C CA ' ' GLY A 1 132 . 132 GLY A CA 27.29 1.0 54.076 31.918001 64.75 1 1087 +ATOM C C ' ' GLY A 1 132 . 132 GLY A C 26.52 1.0 54.222 32.209 66.234 1 1088 +ATOM O O ' ' GLY A 1 132 . 132 GLY A O 28.63 1.0 54.819 31.403002 66.937004 1 1089 +ATOM N N ' ' GLU A 1 133 . 133 GLU A N 28.2 1.0 53.652 33.31 66.727 1 1090 +ATOM C CA ' ' GLU A 1 133 . 133 GLU A CA 27.33 1.0 53.746998 33.661003 68.136 1 1091 +ATOM C C ' ' GLU A 1 133 . 133 GLU A C 30.6 1.0 53.092 32.609 69.019005 1 1092 +ATOM O O ' ' GLU A 1 133 . 133 GLU A O 24.17 1.0 52.04 32.054 68.702 1 1093 +ATOM C CB ' ' GLU A 1 133 . 133 GLU A CB 26.96 1.0 53.096 35.04 68.393 1 1094 +ATOM C CG ' ' GLU A 1 133 . 133 GLU A CG 30.95 1.0 53.015 35.414 69.918 1 1095 +ATOM C CD ' ' GLU A 1 133 . 133 GLU A CD 37.23 1.0 52.740997 36.902 70.125 1 1096 +ATOM O OE1 ' ' GLU A 1 133 . 133 GLU A OE1 34.05 1.0 52.830997 37.663002 69.117004 1 1097 +ATOM O OE2 ' ' GLU A 1 133 . 133 GLU A OE2 39.06 1.0 52.431 37.296 71.278 1 1098 +ATOM N N ' ' GLU A 1 134 . 134 GLU A N 22.46 1.0 53.729 32.293003 70.14 1 1099 +ATOM C CA ' ' GLU A 1 134 . 134 GLU A CA 25.18 1.0 53.149998 31.342001 71.076004 1 1100 +ATOM C C ' ' GLU A 1 134 . 134 GLU A C 30.08 1.0 52.731 32.104 72.318 1 1101 +ATOM O O ' ' GLU A 1 134 . 134 GLU A O 34.56 1.0 53.37 33.095 72.686005 1 1102 +ATOM C CB ' ' GLU A 1 134 . 134 GLU A CB 27.09 1.0 54.148 30.243002 71.447 1 1103 +ATOM C CG ' ' GLU A 1 134 . 134 GLU A CG 36.46 1.0 54.53 29.426003 70.217 1 1104 +ATOM C CD ' ' GLU A 1 134 . 134 GLU A CD 51.07 1.0 55.725998 28.519001 70.412 1 1105 +ATOM O OE1 ' ' GLU A 1 134 . 134 GLU A OE1 48.56 1.0 56.169 28.356 71.562004 1 1106 +ATOM O OE2 ' ' GLU A 1 134 . 134 GLU A OE2 52.33 1.0 56.212997 27.960001 69.401 1 1107 +ATOM N N ' ' ARG A 1 135 . 135 ARG A N 26.74 1.0 51.675 31.630001 72.978004 1 1108 +ATOM C CA ' ' ARG A 1 135 . 135 ARG A CA 30.36 1.0 51.218 32.253002 74.228004 1 1109 +ATOM C C ' ' ARG A 1 135 . 135 ARG A C 29.84 1.0 50.872997 31.134 75.19 1 1110 +ATOM O O ' ' ARG A 1 135 . 135 ARG A O 26.72 1.0 50.204998 30.172 74.801 1 1111 +ATOM C CB ' ' ARG A 1 135 . 135 ARG A CB 27.41 1.0 49.983997 33.153 74.001 1 1112 +ATOM C CG ' ' ARG A 1 135 . 135 ARG A CG 33.41 1.0 50.294 34.404003 73.303 1 1113 +ATOM C CD ' ' ARG A 1 135 . 135 ARG A CD 40.83 1.0 50.932 35.416 74.241005 1 1114 +ATOM N NE ' ' ARG A 1 135 . 135 ARG A NE 54.09 1.0 50.051 35.653 75.384 1 1115 +ATOM C CZ ' ' ARG A 1 135 . 135 ARG A CZ 44.11 1.0 48.93 36.366 75.331 1 1116 +ATOM N NH1 ' ' ARG A 1 135 . 135 ARG A NH1 44.45 1.0 48.547 36.966003 74.219 1 1117 +ATOM N NH2 ' ' ARG A 1 135 . 135 ARG A NH2 37.81 1.0 48.163998 36.448 76.413 1 1118 +ATOM N N ' ' GLU A 1 136 . 136 GLU A N 27.15 1.0 51.358997 31.209002 76.437004 1 1119 +ATOM C CA ' ' GLU A 1 136 . 136 GLU A CA 21.09 1.0 50.961 30.246002 77.445 1 1120 +ATOM C C ' ' GLU A 1 136 . 136 GLU A C 28.4 1.0 49.7 30.755001 78.101 1 1121 +ATOM O O ' ' GLU A 1 136 . 136 GLU A O 29.7 1.0 49.679 31.887001 78.599 1 1122 +ATOM C CB ' ' GLU A 1 136 . 136 GLU A CB 26.34 1.0 52.061 30.070002 78.521 1 1123 +ATOM C CG ' ' GLU A 1 136 . 136 GLU A CG 37.08 1.0 51.774998 28.880001 79.41 1 1124 +ATOM N N ' ' ILE A 1 137 . 137 ILE A N 26.3 1.0 48.626 29.968002 78.029 1 1125 +ATOM C CA ' ' ILE A 1 137 . 137 ILE A CA 23.39 1.0 47.328 30.402 78.520004 1 1126 +ATOM C C ' ' ILE A 1 137 . 137 ILE A C 24.27 1.0 46.736 29.236002 79.265 1 1127 +ATOM O O ' ' ILE A 1 137 . 137 ILE A O 24.25 1.0 46.612 28.134 78.709 1 1128 +ATOM C CB ' ' ILE A 1 137 . 137 ILE A CB 23.07 1.0 46.344997 30.849 77.396 1 1129 +ATOM C CG1 ' ' ILE A 1 137 . 137 ILE A CG1 24.94 1.0 46.794 32.170002 76.794 1 1130 +ATOM C CG2 ' ' ILE A 1 137 . 137 ILE A CG2 25.46 1.0 44.961998 30.978 78.038 1 1131 +ATOM C CD1 ' ' ILE A 1 137 . 137 ILE A CD1 26.08 1.0 46.117 32.478 75.388 1 1132 +ATOM N N ' ' GLY A 1 138 . 138 GLY A N 24.38 1.0 46.384 29.446001 80.523 1 1133 +ATOM C CA ' ' GLY A 1 138 . 138 GLY A CA 25.41 1.0 45.719997 28.362001 81.207 1 1134 +ATOM C C ' ' GLY A 1 138 . 138 GLY A C 23.59 1.0 46.572998 27.107002 81.327 1 1135 +ATOM O O ' ' GLY A 1 138 . 138 GLY A O 26.47 1.0 46.021 26.014002 81.46 1 1136 +ATOM N N ' ' GLY A 1 139 . 139 GLY A N 27.07 1.0 47.904 27.239002 81.225 1 1137 +ATOM C CA ' ' GLY A 1 139 . 139 GLY A CA 30.01 1.0 48.783 26.068 81.340004 1 1138 +ATOM C C ' ' GLY A 1 139 . 139 GLY A C 32.78 1.0 49.058 25.347 80.039 1 1139 +ATOM O O ' ' GLY A 1 139 . 139 GLY A O 25.88 1.0 49.661 24.27 80.059 1 1140 +ATOM N N ' ' LYS A 1 140 . 140 LYS A N 29.72 1.0 48.583 25.875002 78.906 1 1141 +ATOM C CA ' ' LYS A 1 140 . 140 LYS A CA 27.58 1.0 48.758 25.238003 77.605 1 1142 +ATOM C C ' ' LYS A 1 140 . 140 LYS A C 26.77 1.0 49.36 26.254002 76.652 1 1143 +ATOM O O ' ' LYS A 1 140 . 140 LYS A O 28.29 1.0 49.19 27.454002 76.829 1 1144 +ATOM C CB ' ' LYS A 1 140 . 140 LYS A CB 28.38 1.0 47.427 24.718002 77.076004 1 1145 +ATOM C CG ' ' LYS A 1 140 . 140 LYS A CG 36.08 1.0 46.843 23.661001 77.995 1 1146 +ATOM C CD ' ' LYS A 1 140 . 140 LYS A CD 38.59 1.0 46.972 22.301003 77.417 1 1147 +ATOM C CE ' ' LYS A 1 140 . 140 LYS A CE 45.8 1.0 46.333 21.232002 78.271 1 1148 +ATOM N NZ ' ' LYS A 1 140 . 140 LYS A NZ 43.6 1.0 46.911 19.944 77.812004 1 1149 +ATOM N N ' ' LYS A 1 141 . 141 LYS A N 21.83 1.0 50.106 25.776001 75.661 1 1150 +ATOM C CA ' ' LYS A 1 141 . 141 LYS A CA 25.33 1.0 50.718998 26.647001 74.661 1 1151 +ATOM C C ' ' LYS A 1 141 . 141 LYS A C 23.13 1.0 49.773 26.787003 73.456 1 1152 +ATOM O O ' ' LYS A 1 141 . 141 LYS A O 24.41 1.0 49.479 25.792002 72.786 1 1153 +ATOM C CB ' ' LYS A 1 141 . 141 LYS A CB 27.36 1.0 52.048 26.043001 74.214005 1 1154 +ATOM C CG ' ' LYS A 1 141 . 141 LYS A CG 36.24 1.0 52.841 26.832 73.175 1 1155 +ATOM C CD ' ' LYS A 1 141 . 141 LYS A CD 44.59 1.0 53.938 25.948002 72.51 1 1156 +ATOM N N ' ' PHE A 1 142 . 142 PHE A N 22.69 1.0 49.364 28.021002 73.144005 1 1157 +ATOM C CA ' ' PHE A 1 142 . 142 PHE A CA 24.19 1.0 48.619 28.338001 71.921 1 1158 +ATOM C C ' ' PHE A 1 142 . 142 PHE A C 25.31 1.0 49.611 28.893002 70.914 1 1159 +ATOM O O ' ' PHE A 1 142 . 142 PHE A O 30.36 1.0 50.496998 29.666 71.264 1 1160 +ATOM C CB ' ' PHE A 1 142 . 142 PHE A CB 18.08 1.0 47.54 29.398003 72.177 1 1161 +ATOM C CG ' ' PHE A 1 142 . 142 PHE A CG 23.5 1.0 46.358997 28.904001 72.952 1 1162 +ATOM C CD1 ' ' PHE A 1 142 . 142 PHE A CD1 20.91 1.0 46.457 28.616001 74.297005 1 1163 +ATOM C CD2 ' ' PHE A 1 142 . 142 PHE A CD2 24.36 1.0 45.121 28.771002 72.342 1 1164 +ATOM C CE1 ' ' PHE A 1 142 . 142 PHE A CE1 17.69 1.0 45.364998 28.178001 75.023 1 1165 +ATOM C CE2 ' ' PHE A 1 142 . 142 PHE A CE2 19.8 1.0 44.016 28.320002 73.05 1 1166 +ATOM C CZ ' ' PHE A 1 142 . 142 PHE A CZ 19.83 1.0 44.125 28.044003 74.438 1 1167 +ATOM N N ' ' LYS A 1 143 . 143 LYS A N 17.79 1.0 49.496998 28.499 69.669 1 1168 +ATOM C CA ' ' LYS A 1 143 . 143 LYS A CA 17.16 1.0 50.358997 29.080002 68.667 1 1169 +ATOM C C ' ' LYS A 1 143 . 143 LYS A C 19.77 1.0 49.482 29.651001 67.558 1 1170 +ATOM O O ' ' LYS A 1 143 . 143 LYS A O 20.97 1.0 48.46 29.063002 67.249 1 1171 +ATOM C CB ' ' LYS A 1 143 . 143 LYS A CB 18.92 1.0 51.28 28.028002 68.099 1 1172 +ATOM C CG ' ' LYS A 1 143 . 143 LYS A CG 26.25 1.0 52.295 28.594002 67.119 1 1173 +ATOM C CD ' ' LYS A 1 143 . 143 LYS A CD 39.85 1.0 53.174 27.412003 66.630005 1 1174 +ATOM C CE ' ' LYS A 1 143 . 143 LYS A CE 47.33 1.0 54.211 27.894001 65.643 1 1175 +ATOM N NZ ' ' LYS A 1 143 . 143 LYS A NZ 41.07 1.0 55.247997 28.725002 66.384 1 1176 +ATOM N N ' ' PHE A 1 144 . 144 PHE A N 17.64 1.0 49.839 30.817001 67.059 1 1177 +ATOM C CA ' ' PHE A 1 144 . 144 PHE A CA 17.97 1.0 48.989 31.532001 66.062004 1 1178 +ATOM C C ' ' PHE A 1 144 . 144 PHE A C 23.91 1.0 49.731 31.594002 64.749 1 1179 +ATOM O O ' ' PHE A 1 144 . 144 PHE A O 26.21 1.0 50.877 32.045002 64.719 1 1180 +ATOM C CB ' ' PHE A 1 144 . 144 PHE A CB 18.79 1.0 48.676 32.93 66.584 1 1181 +ATOM C CG ' ' PHE A 1 144 . 144 PHE A CG 21.5 1.0 47.98 32.888 67.909004 1 1182 +ATOM C CD1 ' ' PHE A 1 144 . 144 PHE A CD1 20.66 1.0 46.617 32.699 67.945 1 1183 +ATOM C CD2 ' ' PHE A 1 144 . 144 PHE A CD2 21.98 1.0 48.705997 32.949 69.131004 1 1184 +ATOM C CE1 ' ' PHE A 1 144 . 144 PHE A CE1 23.76 1.0 45.93 32.615 69.121 1 1185 +ATOM C CE2 ' ' PHE A 1 144 . 144 PHE A CE2 22.07 1.0 48.02 32.878002 70.327 1 1186 +ATOM C CZ ' ' PHE A 1 144 . 144 PHE A CZ 22.52 1.0 46.626 32.681 70.337 1 1187 +ATOM N N ' ' VAL A 1 145 . 145 VAL A N 16.87 1.0 49.09 31.143002 63.67 1 1188 +ATOM C CA ' ' VAL A 1 145 . 145 VAL A CA 17.92 1.0 49.7 31.085001 62.357002 1 1189 +ATOM C C ' ' VAL A 1 145 . 145 VAL A C 23.71 1.0 48.864998 31.955002 61.426003 1 1190 +ATOM O O ' ' VAL A 1 145 . 145 VAL A O 19.02 1.0 47.651 31.746002 61.303 1 1191 +ATOM C CB ' ' VAL A 1 145 . 145 VAL A CB 23.18 1.0 49.781 29.646002 61.836998 1 1192 +ATOM C CG1 ' ' VAL A 1 145 . 145 VAL A CG1 23.32 1.0 50.426 29.650002 60.473 1 1193 +ATOM C CG2 ' ' VAL A 1 145 . 145 VAL A CG2 30.14 1.0 50.599 28.800001 62.802002 1 1194 +HETATM N N ' ' MSE A 1 146 . 146 MSE A N 24.48 1.0 49.496 32.926003 60.798004 1 1195 +HETATM C CA ' ' MSE A 1 146 . 146 MSE A CA 26.18 1.0 48.78 33.794003 59.873 1 1196 +HETATM C C ' ' MSE A 1 146 . 146 MSE A C 22.85 1.0 48.572998 33.049 58.568 1 1197 +HETATM O O ' ' MSE A 1 146 . 146 MSE A O 23.76 1.0 49.487 32.357002 58.052002 1 1198 +HETATM C CB ' ' MSE A 1 146 . 146 MSE A CB 27.55 1.0 49.561 35.089 59.587997 1 1199 +HETATM C CG ' ' MSE A 1 146 . 146 MSE A CG 32.43 1.0 50.024998 35.864002 60.807 1 1200 +HETATM Se SE ' ' MSE A 1 146 . 146 MSE A SE 40.04 1.0 48.534 36.406002 62.031 1 1201 +HETATM C CE ' ' MSE A 1 146 . 146 MSE A CE 29.22 1.0 48.889 35.153 63.514 1 1202 +ATOM N N ' ' THR A 1 147 . 147 THR A N 22.42 1.0 47.363 33.161003 57.995003 1 1203 +ATOM C CA ' ' THR A 1 147 . 147 THR A CA 23.95 1.0 47.062 32.489002 56.730003 1 1204 +ATOM C C ' ' THR A 1 147 . 147 THR A C 25.36 1.0 46.267998 33.496002 55.924004 1 1205 +ATOM O O ' ' THR A 1 147 . 147 THR A O 23.59 1.0 45.045998 33.370003 55.767 1 1206 +ATOM C CB ' ' THR A 1 147 . 147 THR A CB 30.14 1.0 46.292 31.168001 56.933 1 1207 +ATOM O OG1 ' ' THR A 1 147 . 147 THR A OG1 27.85 1.0 45.061 31.396002 57.655 1 1208 +ATOM C CG2 ' ' THR A 1 147 . 147 THR A CG2 25.09 1.0 47.167 30.150002 57.700005 1 1209 +ATOM N N ' ' PRO A 1 148 . 148 PRO A N 25.6 1.0 46.911 34.585003 55.505005 1 1210 +ATOM C CA ' ' PRO A 1 148 . 148 PRO A CA 23.9 1.0 46.142998 35.719 54.959 1 1211 +ATOM C C ' ' PRO A 1 148 . 148 PRO A C 22.47 1.0 45.445 35.366 53.656998 1 1212 +ATOM O O ' ' PRO A 1 148 . 148 PRO A O 24.49 1.0 45.853 34.476 52.901 1 1213 +ATOM C CB ' ' PRO A 1 148 . 148 PRO A CB 29.9 1.0 47.208 36.819 54.739998 1 1214 +ATOM C CG ' ' PRO A 1 148 . 148 PRO A CG 36.41 1.0 48.568 36.058002 54.772003 1 1215 +ATOM C CD ' ' PRO A 1 148 . 148 PRO A CD 32.48 1.0 48.333 34.923 55.732002 1 1216 +ATOM N N ' ' TRP A 1 149 . 149 TRP A N 19.95 1.0 44.378998 36.134003 53.405 1 1217 +ATOM C CA ' ' TRP A 1 149 . 149 TRP A CA 23.28 1.0 43.596 36.081 52.184998 1 1218 +ATOM C C ' ' TRP A 1 149 . 149 TRP A C 24.66 1.0 42.822998 34.781002 52.078003 1 1219 +ATOM O O ' ' TRP A 1 149 . 149 TRP A O 22.39 1.0 42.497997 34.344 50.982002 1 1220 +ATOM C CB ' ' TRP A 1 149 . 149 TRP A CB 27.36 1.0 44.482 36.328003 50.959 1 1221 +ATOM C CG ' ' TRP A 1 149 . 149 TRP A CG 29.52 1.0 45.026 37.769 51.053 1 1222 +ATOM C CD1 ' ' TRP A 1 149 . 149 TRP A CD1 31.53 1.0 46.325 38.177002 51.294 1 1223 +ATOM C CD2 ' ' TRP A 1 149 . 149 TRP A CD2 29.99 1.0 44.242 38.964 50.951004 1 1224 +ATOM N NE1 ' ' TRP A 1 149 . 149 TRP A NE1 30.76 1.0 46.375 39.571003 51.301003 1 1225 +ATOM C CE2 ' ' TRP A 1 149 . 149 TRP A CE2 34.48 1.0 45.113 40.064003 51.091003 1 1226 +ATOM C CE3 ' ' TRP A 1 149 . 149 TRP A CE3 29.28 1.0 42.893997 39.205 50.675003 1 1227 +ATOM C CZ2 ' ' TRP A 1 149 . 149 TRP A CZ2 36.49 1.0 44.665 41.393 50.996002 1 1228 +ATOM C CZ3 ' ' TRP A 1 149 . 149 TRP A CZ3 36.53 1.0 42.451 40.533 50.584 1 1229 +ATOM C CH2 ' ' TRP A 1 149 . 149 TRP A CH2 40.99 1.0 43.336 41.597 50.755005 1 1230 +ATOM N N ' ' LEU A 1 150 . 150 LEU A N 22.03 1.0 42.448997 34.214 53.241005 1 1231 +ATOM C CA ' ' LEU A 1 150 . 150 LEU A CA 23.55 1.0 41.577 33.044003 53.276 1 1232 +ATOM C C ' ' LEU A 1 150 . 150 LEU A C 20.13 1.0 40.329 33.311 54.100998 1 1233 +ATOM O O ' ' LEU A 1 150 . 150 LEU A O 26.12 1.0 40.066998 32.566 55.049004 1 1234 +ATOM C CB ' ' LEU A 1 150 . 150 LEU A CB 22.75 1.0 42.348 31.828001 53.850998 1 1235 +ATOM C CG ' ' LEU A 1 150 . 150 LEU A CG 23.0 1.0 43.533 31.287 52.991005 1 1236 +ATOM C CD1 ' ' LEU A 1 150 . 150 LEU A CD1 24.11 1.0 44.203 30.009 53.655 1 1237 +ATOM C CD2 ' ' LEU A 1 150 . 150 LEU A CD2 24.67 1.0 43.205997 30.994001 51.506004 1 1238 +ATOM N N ' ' HIS A 1 151 . 151 HIS A N 23.51 1.0 39.527 34.315002 53.753998 1 1239 +ATOM C CA ' ' HIS A 1 151 . 151 HIS A CA 22.82 1.0 39.629997 35.022003 52.478004 1 1240 +ATOM C C ' ' HIS A 1 151 . 151 HIS A C 21.19 1.0 39.867 36.546 52.688004 1 1241 +ATOM O O ' ' HIS A 1 151 . 151 HIS A O 22.41 1.0 39.697 37.321003 51.794 1 1242 +ATOM C CB ' ' HIS A 1 151 . 151 HIS A CB 26.2 1.0 38.355 34.799 51.711998 1 1243 +ATOM C CG ' ' HIS A 1 151 . 151 HIS A CG 25.86 1.0 37.159 35.211002 52.489998 1 1244 +ATOM N ND1 ' ' HIS A 1 151 . 151 HIS A ND1 33.78 1.0 36.431 36.335003 52.18 1 1245 +ATOM C CD2 ' ' HIS A 1 151 . 151 HIS A CD2 28.74 1.0 36.591 34.690002 53.603004 1 1246 +ATOM C CE1 ' ' HIS A 1 151 . 151 HIS A CE1 31.16 1.0 35.441998 36.478 53.04 1 1247 +ATOM N NE2 ' ' HIS A 1 151 . 151 HIS A NE2 29.11 1.0 35.517998 35.493 53.908005 1 1248 +ATOM N N ' ' TRP A 1 152 . 152 TRP A N 21.23 1.0 40.237 36.936 53.896004 1 1249 +ATOM C CA ' ' TRP A 1 152 . 152 TRP A CA 17.69 1.0 40.479 38.334 54.200005 1 1250 +ATOM C C ' ' TRP A 1 152 . 152 TRP A C 20.79 1.0 41.905 38.479 54.697 1 1251 +ATOM O O ' ' TRP A 1 152 . 152 TRP A O 21.64 1.0 42.554 37.491 55.059 1 1252 +ATOM C CB ' ' TRP A 1 152 . 152 TRP A CB 17.08 1.0 39.52 38.828003 55.298004 1 1253 +ATOM C CG ' ' TRP A 1 152 . 152 TRP A CG 20.93 1.0 38.145 39.275 54.888 1 1254 +ATOM C CD1 ' ' TRP A 1 152 . 152 TRP A CD1 23.12 1.0 37.555 39.155003 53.684998 1 1255 +ATOM C CD2 ' ' TRP A 1 152 . 152 TRP A CD2 21.17 1.0 37.193 39.909 55.752 1 1256 +ATOM N NE1 ' ' TRP A 1 152 . 152 TRP A NE1 22.8 1.0 36.267998 39.686 53.725998 1 1257 +ATOM C CE2 ' ' TRP A 1 152 . 152 TRP A CE2 20.98 1.0 36.027 40.135002 55.003998 1 1258 +ATOM C CE3 ' ' TRP A 1 152 . 152 TRP A CE3 20.9 1.0 37.218998 40.275 57.101997 1 1259 +ATOM C CZ2 ' ' TRP A 1 152 . 152 TRP A CZ2 23.35 1.0 34.884 40.783 55.553 1 1260 +ATOM C CZ3 ' ' TRP A 1 152 . 152 TRP A CZ3 22.3 1.0 36.113 40.914 57.647003 1 1261 +ATOM C CH2 ' ' TRP A 1 152 . 152 TRP A CH2 20.7 1.0 34.969997 41.18 56.878 1 1262 +ATOM N N ' ' PRO A 1 153 . 153 PRO A N 21.17 1.0 42.426 39.710003 54.748 1 1263 +ATOM C CA ' ' PRO A 1 153 . 153 PRO A CA 24.47 1.0 43.808 39.877003 55.195 1 1264 +ATOM C C ' ' PRO A 1 153 . 153 PRO A C 25.42 1.0 43.979 39.594 56.654 1 1265 +ATOM O O ' ' PRO A 1 153 . 153 PRO A O 27.28 1.0 45.133 39.477 57.093002 1 1266 +ATOM C CB ' ' PRO A 1 153 . 153 PRO A CB 30.24 1.0 44.133 41.353 54.873 1 1267 +ATOM C CG ' ' PRO A 1 153 . 153 PRO A CG 32.11 1.0 42.802 42.034 54.585 1 1268 +ATOM C CD ' ' PRO A 1 153 . 153 PRO A CD 23.96 1.0 41.836 40.937 54.148003 1 1269 +ATOM N N ' ' ASP A 1 154 . 154 ASP A N 18.16 1.0 42.896 39.453003 57.437004 1 1270 +ATOM C CA ' ' ASP A 1 154 . 154 ASP A CA 19.87 1.0 43.017998 39.275 58.872 1 1271 +ATOM C C ' ' ASP A 1 154 . 154 ASP A C 22.19 1.0 43.113 37.825 59.301003 1 1272 +ATOM O O ' ' ASP A 1 154 . 154 ASP A O 23.82 1.0 43.233997 37.578003 60.489998 1 1273 +ATOM C CB ' ' ASP A 1 154 . 154 ASP A CB 20.19 1.0 41.834 39.927002 59.631004 1 1274 +ATOM C CG ' ' ASP A 1 154 . 154 ASP A CG 22.63 1.0 40.472 39.216003 59.349 1 1275 +ATOM O OD1 ' ' ASP A 1 154 . 154 ASP A OD1 24.95 1.0 40.364 38.377003 58.415 1 1276 +ATOM O OD2 ' ' ASP A 1 154 . 154 ASP A OD2 21.17 1.0 39.516 39.45 60.093002 1 1277 +ATOM N N ' ' THR A 1 155 . 155 THR A N 20.13 1.0 43.052998 36.866 58.383003 1 1278 +ATOM C CA ' ' THR A 1 155 . 155 THR A CA 16.63 1.0 42.696 35.513 58.777 1 1279 +ATOM C C ' ' THR A 1 155 . 155 THR A C 22.87 1.0 43.923 34.805 59.354004 1 1280 +ATOM O O ' ' THR A 1 155 . 155 THR A O 23.07 1.0 45.044 34.931 58.842003 1 1281 +ATOM C CB ' ' THR A 1 155 . 155 THR A CB 23.54 1.0 42.128 34.724003 57.586 1 1282 +ATOM O OG1 ' ' THR A 1 155 . 155 THR A OG1 30.33 1.0 42.996998 34.821003 56.454002 1 1283 +ATOM C CG2 ' ' THR A 1 155 . 155 THR A CG2 16.46 1.0 40.822998 35.371002 57.142998 1 1284 +HETATM N N ' ' MSE A 1 156 . 156 MSE A N 20.04 1.0 43.69 34.08 60.427002 1 1285 +HETATM C CA ' ' MSE A 1 156 . 156 MSE A CA 19.1 1.0 44.740997 33.267002 61.058 1 1286 +HETATM C C ' ' MSE A 1 156 . 156 MSE A C 19.08 1.0 44.097 31.976002 61.582 1 1287 +HETATM O O ' ' MSE A 1 156 . 156 MSE A O 19.38 1.0 42.857 31.826002 61.53 1 1288 +HETATM C CB ' ' MSE A 1 156 . 156 MSE A CB 17.78 1.0 45.392 34.052002 62.174004 1 1289 +HETATM C CG ' ' MSE A 1 156 . 156 MSE A CG 18.84 1.0 44.365997 34.492 63.253998 1 1290 +HETATM Se SE ' ' MSE A 1 156 . 156 MSE A SE 26.16 1.0 45.454 35.153 64.851 1 1291 +HETATM C CE ' ' MSE A 1 156 . 156 MSE A CE 16.68 1.0 44.195 34.969 66.147 1 1292 +ATOM N N ' ' VAL A 1 157 . 157 VAL A N 15.96 1.0 44.941998 31.036001 62.065002 1 1293 +ATOM C CA ' ' VAL A 1 157 . 157 VAL A CA 14.39 1.0 44.504997 29.773003 62.606003 1 1294 +ATOM C C ' ' VAL A 1 157 . 157 VAL A C 17.29 1.0 45.183 29.62 63.97 1 1295 +ATOM O O ' ' VAL A 1 157 . 157 VAL A O 20.07 1.0 46.281 30.133001 64.17 1 1296 +ATOM C CB ' ' VAL A 1 157 . 157 VAL A CB 20.39 1.0 44.874 28.580002 61.711 1 1297 +ATOM C CG1 ' ' VAL A 1 157 . 157 VAL A CG1 19.32 1.0 44.135998 28.690002 60.336998 1 1298 +ATOM C CG2 ' ' VAL A 1 157 . 157 VAL A CG2 22.73 1.0 46.288998 28.566002 61.488 1 1299 +ATOM N N ' ' THR A 1 158 . 158 THR A N 16.24 1.0 44.444 29.097002 64.92 1 1300 +ATOM C CA ' ' THR A 1 158 . 158 THR A CA 17.7 1.0 44.948997 28.927002 66.28 1 1301 +ATOM C C ' ' THR A 1 158 . 158 THR A C 18.91 1.0 45.258 27.457 66.491005 1 1302 +ATOM O O ' ' THR A 1 158 . 158 THR A O 17.69 1.0 44.425 26.604 66.219 1 1303 +ATOM C CB ' ' THR A 1 158 . 158 THR A CB 17.01 1.0 43.895 29.390001 67.286 1 1304 +ATOM O OG1 ' ' THR A 1 158 . 158 THR A OG1 22.99 1.0 43.751 30.812 67.112 1 1305 +ATOM C CG2 ' ' THR A 1 158 . 158 THR A CG2 20.56 1.0 44.473 29.152 68.734 1 1306 +ATOM N N ' ' TYR A 1 159 . 159 TYR A N 22.95 1.0 46.422 27.171001 67.049 1 1307 +ATOM C CA ' ' TYR A 1 159 . 159 TYR A CA 18.5 1.0 46.865997 25.800001 67.204 1 1308 +ATOM C C ' ' TYR A 1 159 . 159 TYR A C 19.83 1.0 47.034 25.529001 68.698 1 1309 +ATOM O O ' ' TYR A 1 159 . 159 TYR A O 19.93 1.0 47.71 26.295002 69.373 1 1310 +ATOM C CB ' ' TYR A 1 159 . 159 TYR A CB 22.48 1.0 48.198997 25.681002 66.494 1 1311 +ATOM C CG ' ' TYR A 1 159 . 159 TYR A CG 26.48 1.0 48.861 24.359001 66.626 1 1312 +ATOM C CD1 ' ' TYR A 1 159 . 159 TYR A CD1 32.47 1.0 48.503 23.339 65.748 1 1313 +ATOM C CD2 ' ' TYR A 1 159 . 159 TYR A CD2 30.55 1.0 49.85 24.132002 67.574 1 1314 +ATOM C CE1 ' ' TYR A 1 159 . 159 TYR A CE1 35.48 1.0 49.094997 22.118002 65.815 1 1315 +ATOM C CE2 ' ' TYR A 1 159 . 159 TYR A CE2 38.66 1.0 50.468998 22.890001 67.648 1 1316 +ATOM C CZ ' ' TYR A 1 159 . 159 TYR A CZ 34.48 1.0 50.084 21.904001 66.725 1 1317 +ATOM O OH ' ' TYR A 1 159 . 159 TYR A OH 38.7 1.0 50.631 20.631 66.726 1 1318 +ATOM N N ' ' LEU A 1 160 . 160 LEU A N 19.21 1.0 46.454 24.435001 69.192 1 1319 +ATOM C CA ' ' LEU A 1 160 . 160 LEU A CA 21.18 1.0 46.473 24.039001 70.597 1 1320 +ATOM C C ' ' LEU A 1 160 . 160 LEU A C 23.11 1.0 46.728 22.523003 70.649 1 1321 +ATOM O O ' ' LEU A 1 160 . 160 LEU A O 23.29 1.0 45.816998 21.743002 70.391 1 1322 +ATOM C CB ' ' LEU A 1 160 . 160 LEU A CB 17.96 1.0 45.12 24.394001 71.245 1 1323 +ATOM C CG ' ' LEU A 1 160 . 160 LEU A CG 25.71 1.0 44.952 24.058002 72.763 1 1324 +ATOM C CD1 ' ' LEU A 1 160 . 160 LEU A CD1 28.27 1.0 45.968998 24.769001 73.725 1 1325 +ATOM C CD2 ' ' LEU A 1 160 . 160 LEU A CD2 26.21 1.0 43.457 24.325 73.200005 1 1326 +ATOM N N ' ' ASP A 1 161 . 161 ASP A N 31.3 1.0 47.936 22.075 71.021 1 1327 +ATOM C CA ' ' ASP A 1 161 . 161 ASP A CA 26.65 1.0 48.145 20.609001 71.235 1 1328 +ATOM C C ' ' ASP A 1 161 . 161 ASP A C 25.74 1.0 47.733997 19.751001 70.027 1 1329 +ATOM O O ' ' ASP A 1 161 . 161 ASP A O 27.06 1.0 47.096 18.706001 70.17 1 1330 +ATOM C CB ' ' ASP A 1 161 . 161 ASP A CB 33.46 1.0 47.357 20.120003 72.455 1 1331 +ATOM C CG ' ' ASP A 1 161 . 161 ASP A CG 42.67 1.0 47.985 20.572002 73.803 1 1332 +ATOM O OD1 ' ' ASP A 1 161 . 161 ASP A OD1 36.68 1.0 49.017 21.308002 73.782 1 1333 +ATOM O OD2 ' ' ASP A 1 161 . 161 ASP A OD2 44.21 1.0 47.42 20.197002 74.864 1 1334 +ATOM N N ' ' GLY A 1 162 . 162 GLY A N 20.14 1.0 48.003998 20.219002 68.834 1 1335 +ATOM C CA ' ' GLY A 1 162 . 162 GLY A CA 24.2 1.0 47.618 19.452002 67.665 1 1336 +ATOM C C ' ' GLY A 1 162 . 162 GLY A C 21.03 1.0 46.222 19.750002 67.164 1 1337 +ATOM O O ' ' GLY A 1 162 . 162 GLY A O 22.51 1.0 45.843998 19.244001 66.098 1 1338 +ATOM N N ' ' ILE A 1 163 . 163 ILE A N 20.4 1.0 45.446 20.572002 67.883 1 1339 +ATOM C CA ' ' ILE A 1 163 . 163 ILE A CA 16.97 1.0 44.086998 20.911001 67.457 1 1340 +ATOM C C ' ' ILE A 1 163 . 163 ILE A C 19.04 1.0 44.155 22.287003 66.779 1 1341 +ATOM O O ' ' ILE A 1 163 . 163 ILE A O 20.47 1.0 44.619 23.258001 67.382 1 1342 +ATOM C CB ' ' ILE A 1 163 . 163 ILE A CB 23.18 1.0 43.139 20.889002 68.659004 1 1343 +ATOM C CG1 ' ' ILE A 1 163 . 163 ILE A CG1 28.96 1.0 43.128 19.473001 69.252 1 1344 +ATOM C CG2 ' ' ILE A 1 163 . 163 ILE A CG2 25.83 1.0 41.718 21.269001 68.252 1 1345 +ATOM C CD1 ' ' ILE A 1 163 . 163 ILE A CD1 31.07 1.0 42.524998 19.443 70.588 1 1346 +ATOM N N ' ' LEU A 1 164 . 164 LEU A N 18.64 1.0 43.656998 22.377003 65.544 1 1347 +ATOM C CA A LEU A 1 164 . 164 LEU A CA 20.21 0.5 43.697998 23.605001 64.777 1 1348 +ATOM C C A LEU A 1 164 . 164 LEU A C 17.87 0.5 42.291 24.197002 64.726 1 1349 +ATOM O O A LEU A 1 164 . 164 LEU A O 18.77 0.5 41.363 23.536001 64.229004 1 1350 +ATOM C CB A LEU A 1 164 . 164 LEU A CB 20.7 0.5 44.236 23.316002 63.375 1 1351 +ATOM C CG A LEU A 1 164 . 164 LEU A CG 17.74 0.5 44.511997 24.562 62.559998 1 1352 +ATOM C CD1 A LEU A 1 164 . 164 LEU A CD1 23.8 0.5 45.687 25.402 63.101997 1 1353 +ATOM C CD2 A LEU A 1 164 . 164 LEU A CD2 26.05 0.5 44.722 24.161001 61.092003 1 1354 +ATOM C CA B LEU A 1 164 . 164 LEU A CA 20.18 0.5 43.670998 23.601002 64.76 1 1355 +ATOM C C B LEU A 1 164 . 164 LEU A C 17.87 0.5 42.265 24.188002 64.767 1 1356 +ATOM O O B LEU A 1 164 . 164 LEU A O 18.81 0.5 41.311 23.514002 64.35 1 1357 +ATOM C CB B LEU A 1 164 . 164 LEU A CB 20.59 0.5 44.128 23.325 63.322998 1 1358 +ATOM C CG B LEU A 1 164 . 164 LEU A CG 21.63 0.5 45.614 23.191002 62.994003 1 1359 +ATOM C CD1 B LEU A 1 164 . 164 LEU A CD1 21.21 0.5 45.802 23.077002 61.472 1 1360 +ATOM C CD2 B LEU A 1 164 . 164 LEU A CD2 23.99 0.5 46.362 24.411001 63.525 1 1361 +ATOM N N ' ' PHE A 1 165 . 165 PHE A N 18.66 1.0 42.14 25.43 65.235 1 1362 +ATOM C CA ' ' PHE A 1 165 . 165 PHE A CA 19.07 1.0 40.886997 26.194 65.162 1 1363 +ATOM C C ' ' PHE A 1 165 . 165 PHE A C 19.46 1.0 41.035 27.119001 63.966003 1 1364 +ATOM O O ' ' PHE A 1 165 . 165 PHE A O 18.51 1.0 41.822 28.068 64.004 1 1365 +ATOM C CB ' ' PHE A 1 165 . 165 PHE A CB 18.81 1.0 40.618 27.002003 66.43 1 1366 +ATOM C CG ' ' PHE A 1 165 . 165 PHE A CG 20.72 1.0 40.481 26.158 67.663 1 1367 +ATOM C CD1 ' ' PHE A 1 165 . 165 PHE A CD1 21.05 1.0 41.627 25.819 68.449 1 1368 +ATOM C CD2 ' ' PHE A 1 165 . 165 PHE A CD2 16.05 1.0 39.261997 25.711002 68.049 1 1369 +ATOM C CE1 ' ' PHE A 1 165 . 165 PHE A CE1 24.21 1.0 41.479 25.067001 69.621 1 1370 +ATOM C CE2 ' ' PHE A 1 165 . 165 PHE A CE2 17.82 1.0 39.093998 24.925001 69.231 1 1371 +ATOM C CZ ' ' PHE A 1 165 . 165 PHE A CZ 22.18 1.0 40.204 24.61 70.008 1 1372 +ATOM N N ' ' SER A 1 166 . 166 SER A N 20.07 1.0 40.302 26.842003 62.891 1 1373 +ATOM C CA ' ' SER A 1 166 . 166 SER A CA 21.5 1.0 40.708 27.419003 61.621002 1 1374 +ATOM C C ' ' SER A 1 166 . 166 SER A C 24.9 1.0 39.665 28.313002 60.983 1 1375 +ATOM O O ' ' SER A 1 166 . 166 SER A O 20.94 1.0 39.920998 28.834002 59.897003 1 1376 +ATOM C CB ' ' SER A 1 166 . 166 SER A CB 20.51 1.0 41.129997 26.311 60.654 1 1377 +ATOM O OG ' ' SER A 1 166 . 166 SER A OG 21.11 1.0 40.03 25.428001 60.445 1 1378 +ATOM N N ' ' CYS A 1 167 . 167 CYS A N 20.7 1.0 38.548 28.573002 61.661003 1 1379 +ATOM C CA ' ' CYS A 1 167 . 167 CYS A CA 20.52 1.0 37.511997 29.471 61.142 1 1380 +ATOM C C ' ' CYS A 1 167 . 167 CYS A C 23.31 1.0 37.128998 29.152 59.705 1 1381 +ATOM O O ' ' CYS A 1 167 . 167 CYS A O 22.14 1.0 36.702 28.021002 59.447998 1 1382 +ATOM C CB ' ' CYS A 1 167 . 167 CYS A CB 28.06 1.0 37.966 30.913002 61.261 1 1383 +ATOM S SG ' ' CYS A 1 167 . 167 CYS A SG 32.78 1.0 36.476997 31.890001 61.498 1 1384 +ATOM N N ' ' ASP A 1 168 . 168 ASP A N 18.47 1.0 37.274998 30.093002 58.745003 1 1385 +ATOM C CA ' ' ASP A 1 168 . 168 ASP A CA 21.85 1.0 36.807 29.737001 57.395004 1 1386 +ATOM C C ' ' ASP A 1 168 . 168 ASP A C 18.19 1.0 37.666 28.687 56.714005 1 1387 +ATOM O O ' ' ASP A 1 168 . 168 ASP A O 18.97 1.0 37.236 28.072002 55.745003 1 1388 +ATOM C CB ' ' ASP A 1 168 . 168 ASP A CB 25.71 1.0 36.795998 30.956001 56.461 1 1389 +ATOM C CG ' ' ASP A 1 168 . 168 ASP A CG 22.9 1.0 35.591 31.824001 56.614 1 1390 +ATOM O OD1 ' ' ASP A 1 168 . 168 ASP A OD1 17.25 1.0 34.614 31.564001 57.346 1 1391 +ATOM O OD2 ' ' ASP A 1 168 . 168 ASP A OD2 25.83 1.0 35.643997 32.822002 55.9 1 1392 +ATOM N N ' ' VAL A 1 169 . 169 VAL A N 17.92 1.0 38.895 28.477001 57.156998 1 1393 +ATOM C CA ' ' VAL A 1 169 . 169 VAL A CA 17.91 1.0 39.76 27.527 56.456 1 1394 +ATOM C C ' ' VAL A 1 169 . 169 VAL A C 21.6 1.0 39.328 26.120003 56.835 1 1395 +ATOM O O ' ' VAL A 1 169 . 169 VAL A O 27.48 1.0 39.389 25.757002 58.006004 1 1396 +ATOM C CB ' ' VAL A 1 169 . 169 VAL A CB 22.53 1.0 41.224 27.752 56.853004 1 1397 +ATOM C CG1 ' ' VAL A 1 169 . 169 VAL A CG1 24.02 1.0 42.121998 26.705002 56.114998 1 1398 +ATOM C CG2 ' ' VAL A 1 169 . 169 VAL A CG2 22.39 1.0 41.618 29.190002 56.590004 1 1399 +ATOM N N ' ' GLY A 1 170 . 170 GLY A N 22.31 1.0 38.878 25.331001 55.870003 1 1400 +ATOM C CA ' ' GLY A 1 170 . 170 GLY A CA 21.33 1.0 38.315 24.053001 56.221 1 1401 +ATOM C C ' ' GLY A 1 170 . 170 GLY A C 21.18 1.0 36.802998 24.074001 56.342003 1 1402 +ATOM O O ' ' GLY A 1 170 . 170 GLY A O 22.17 1.0 36.217 23.043001 56.644005 1 1403 +ATOM N N ' ' GLY A 1 171 . 171 GLY A N 20.78 1.0 36.156998 25.226002 56.134003 1 1404 +ATOM C CA ' ' GLY A 1 171 . 171 GLY A CA 17.1 1.0 34.717 25.289001 56.207 1 1405 +ATOM C C ' ' GLY A 1 171 . 171 GLY A C 18.66 1.0 34.054 24.653002 54.988 1 1406 +ATOM O O ' ' GLY A 1 171 . 171 GLY A O 16.23 1.0 34.709 24.295002 53.999 1 1407 +ATOM N N ' ' GLY A 1 172 . 172 GLY A N 16.5 1.0 32.725 24.488003 55.093002 1 1408 +ATOM C CA ' ' GLY A 1 172 . 172 GLY A CA 15.13 1.0 31.878998 24.099003 53.975 1 1409 +ATOM C C ' ' GLY A 1 172 . 172 GLY A C 14.86 1.0 30.452 24.501001 54.242004 1 1410 +ATOM O O ' ' GLY A 1 172 . 172 GLY A O 17.03 1.0 30.078999 24.838001 55.39 1 1411 +ATOM N N ' ' TYR A 1 173 . 173 TYR A N 13.89 1.0 29.649998 24.504002 53.167 1 1412 +ATOM C CA ' ' TYR A 1 173 . 173 TYR A CA 11.98 1.0 28.215 24.674002 53.334 1 1413 +ATOM C C ' ' TYR A 1 173 . 173 TYR A C 17.52 1.0 27.659 23.313002 53.769005 1 1414 +ATOM O O ' ' TYR A 1 173 . 173 TYR A O 20.47 1.0 28.406998 22.323002 53.806 1 1415 +ATOM C CB ' ' TYR A 1 173 . 173 TYR A CB 11.79 1.0 27.549 25.053001 52.001 1 1416 +ATOM C CG ' ' TYR A 1 173 . 173 TYR A CG 13.39 1.0 28.050999 26.418001 51.451004 1 1417 +ATOM C CD1 ' ' TYR A 1 173 . 173 TYR A CD1 13.79 1.0 28.048 27.546001 52.265 1 1418 +ATOM C CD2 ' ' TYR A 1 173 . 173 TYR A CD2 15.28 1.0 28.408 26.556002 50.08 1 1419 +ATOM C CE1 ' ' TYR A 1 173 . 173 TYR A CE1 15.61 1.0 28.41 28.831001 51.729004 1 1420 +ATOM C CE2 ' ' TYR A 1 173 . 173 TYR A CE2 13.94 1.0 28.776001 27.780003 49.555 1 1421 +ATOM C CZ ' ' TYR A 1 173 . 173 TYR A CZ 17.32 1.0 28.813 28.910002 50.411003 1 1422 +ATOM O OH ' ' TYR A 1 173 . 173 TYR A OH 15.91 1.0 29.135998 30.143002 49.912003 1 1423 +ATOM N N ' ' LEU A 1 174 . 174 LEU A N 16.24 1.0 26.341 23.282001 53.989 1 1424 +ATOM C CA ' ' LEU A 1 174 . 174 LEU A CA 19.01 1.0 25.501 22.115002 54.333 1 1425 +ATOM C C ' ' LEU A 1 174 . 174 LEU A C 19.36 1.0 25.431 22.017002 55.862 1 1426 +ATOM O O ' ' LEU A 1 174 . 174 LEU A O 19.02 1.0 26.349998 22.475002 56.563004 1 1427 +ATOM C CB ' ' LEU A 1 174 . 174 LEU A CB 18.09 1.0 26.028 20.797 53.725 1 1428 +ATOM C CG ' ' LEU A 1 174 . 174 LEU A CG 24.82 1.0 25.118 19.536001 53.929 1 1429 +ATOM C CD1 ' ' LEU A 1 174 . 174 LEU A CD1 24.67 1.0 24.356998 19.183002 52.637 1 1430 +ATOM C CD2 ' ' LEU A 1 174 . 174 LEU A CD2 29.74 1.0 25.933998 18.351002 54.376 1 1431 +ATOM N N ' ' LEU A 1 175 . 175 LEU A N 19.28 1.0 24.331001 21.465 56.387 1 1432 +ATOM C CA ' ' LEU A 1 175 . 175 LEU A CA 20.8 1.0 24.124 21.277 57.83 1 1433 +ATOM C C ' ' LEU A 1 175 . 175 LEU A C 20.53 1.0 24.226002 19.777 58.08 1 1434 +ATOM O O ' ' LEU A 1 175 . 175 LEU A O 21.82 1.0 23.238998 19.047 57.906 1 1435 +ATOM C CB ' ' LEU A 1 175 . 175 LEU A CB 20.51 1.0 22.759998 21.819 58.245003 1 1436 +ATOM C CG ' ' LEU A 1 175 . 175 LEU A CG 20.33 1.0 22.516998 23.281002 57.859 1 1437 +ATOM C CD1 ' ' LEU A 1 175 . 175 LEU A CD1 18.73 1.0 21.098999 23.649002 58.225 1 1438 +ATOM C CD2 ' ' LEU A 1 175 . 175 LEU A CD2 20.82 1.0 23.513 24.169003 58.620003 1 1439 +ATOM N N ' ' PRO A 1 176 . 176 PRO A N 21.44 1.0 25.405998 19.261002 58.315002 1 1440 +ATOM C CA ' ' PRO A 1 176 . 176 PRO A CA 22.02 1.0 25.583 17.799002 58.385002 1 1441 +ATOM C C ' ' PRO A 1 176 . 176 PRO A C 22.28 1.0 24.777 17.183 59.529 1 1442 +ATOM O O ' ' PRO A 1 176 . 176 PRO A O 20.65 1.0 24.463001 17.836002 60.520004 1 1443 +ATOM C CB ' ' PRO A 1 176 . 176 PRO A CB 24.29 1.0 27.080997 17.629002 58.646004 1 1444 +ATOM C CG ' ' PRO A 1 176 . 176 PRO A CG 25.31 1.0 27.729 18.996002 58.267998 1 1445 +ATOM C CD ' ' PRO A 1 176 . 176 PRO A CD 21.11 1.0 26.653 19.997002 58.630005 1 1446 +ATOM N N ' ' GLU A 1 177 . 177 GLU A N 20.11 1.0 24.444 15.891001 59.377 1 1447 +ATOM C CA ' ' GLU A 1 177 . 177 GLU A CA 23.63 1.0 23.55 15.289001 60.369003 1 1448 +ATOM C C ' ' GLU A 1 177 . 177 GLU A C 26.27 1.0 24.310001 14.899002 61.614 1 1449 +ATOM O O ' ' GLU A 1 177 . 177 GLU A O 25.58 1.0 23.684002 14.464001 62.589005 1 1450 +ATOM C CB ' ' GLU A 1 177 . 177 GLU A CB 30.61 1.0 22.870998 14.044001 59.771004 1 1451 +ATOM C CG ' ' GLU A 1 177 . 177 GLU A CG 30.82 1.0 23.861 12.989002 59.389 1 1452 +ATOM C CD ' ' GLU A 1 177 . 177 GLU A CD 47.83 1.0 23.348999 11.976002 58.309 1 1453 +ATOM O OE1 ' ' GLU A 1 177 . 177 GLU A OE1 44.13 1.0 23.155998 12.345001 57.112 1 1454 +ATOM O OE2 ' ' GLU A 1 177 . 177 GLU A OE2 46.8 1.0 23.158 10.805002 58.669 1 1455 +ATOM N N ' ' ILE A 1 178 . 178 ILE A N 20.13 1.0 25.643997 14.984001 61.587997 1 1456 +ATOM C CA ' ' ILE A 1 178 . 178 ILE A CA 19.91 1.0 26.469997 14.754002 62.78 1 1457 +ATOM C C ' ' ILE A 1 178 . 178 ILE A C 21.95 1.0 27.508999 15.8810005 62.9 1 1458 +ATOM O O ' ' ILE A 1 178 . 178 ILE A O 21.21 1.0 27.636997 16.726002 62.003998 1 1459 +ATOM C CB ' ' ILE A 1 178 . 178 ILE A CB 25.37 1.0 27.176998 13.380001 62.760002 1 1460 +ATOM C CG1 ' ' ILE A 1 178 . 178 ILE A CG1 25.82 1.0 28.029 13.228001 61.503998 1 1461 +ATOM C CG2 ' ' ILE A 1 178 . 178 ILE A CG2 29.34 1.0 26.159 12.215002 62.839005 1 1462 +ATOM C CD1 ' ' ILE A 1 178 . 178 ILE A CD1 34.11 1.0 28.747997 11.933001 61.481003 1 1463 +ATOM N N ' ' LEU A 1 179 . 179 LEU A N 22.79 1.0 28.266998 15.892002 64.035 1 1464 +ATOM C CA ' ' LEU A 1 179 . 179 LEU A CA 21.92 1.0 29.266998 16.933 64.249 1 1465 +ATOM C C ' ' LEU A 1 179 . 179 LEU A C 25.72 1.0 30.537998 16.744001 63.456 1 1466 +ATOM O O ' ' LEU A 1 179 . 179 LEU A O 21.24 1.0 31.161999 17.746002 63.066 1 1467 +ATOM C CB ' ' LEU A 1 179 . 179 LEU A CB 20.52 1.0 29.682999 17.057001 65.729004 1 1468 +ATOM C CG ' ' LEU A 1 179 . 179 LEU A CG 24.73 1.0 28.652 17.748001 66.594 1 1469 +ATOM C CD1 ' ' LEU A 1 179 . 179 LEU A CD1 27.34 1.0 29.140999 17.743002 68.088 1 1470 +ATOM C CD2 ' ' LEU A 1 179 . 179 LEU A CD2 27.19 1.0 28.384998 19.184002 66.130005 1 1471 +ATOM N N ' ' ASP A 1 180 . 180 ASP A N 17.89 1.0 30.945 15.507002 63.172005 1 1472 +ATOM C CA ' ' ASP A 1 180 . 180 ASP A CA 20.21 1.0 32.349 15.272001 62.853004 1 1473 +ATOM C C ' ' ASP A 1 180 . 180 ASP A C 20.64 1.0 32.479 14.253002 61.738 1 1474 +ATOM O O ' ' ASP A 1 180 . 180 ASP A O 23.9 1.0 31.475998 13.732002 61.249 1 1475 +ATOM C CB ' ' ASP A 1 180 . 180 ASP A CB 26.84 1.0 33.105 14.840002 64.1 1 1476 +ATOM C CG ' ' ASP A 1 180 . 180 ASP A CG 38.2 1.0 32.726997 13.412001 64.559 1 1477 +ATOM O OD1 ' ' ASP A 1 180 . 180 ASP A OD1 39.07 1.0 31.622997 12.929001 64.239 1 1478 +ATOM O OD2 ' ' ASP A 1 180 . 180 ASP A OD2 42.51 1.0 33.545 12.778002 65.253 1 1479 +ATOM N N ' ' ASP A 1 181 . 181 ASP A N 20.82 1.0 33.736 14.005001 61.289 1 1480 +ATOM C CA ' ' ASP A 1 181 . 181 ASP A CA 24.22 1.0 34.04 13.128002 60.146004 1 1481 +ATOM C C ' ' ASP A 1 181 . 181 ASP A C 29.55 1.0 34.114 11.660002 60.511 1 1482 +ATOM O O ' ' ASP A 1 181 . 181 ASP A O 30.73 1.0 34.922 10.919001 59.947998 1 1483 +ATOM C CB ' ' ASP A 1 181 . 181 ASP A CB 20.99 1.0 35.354 13.531002 59.483 1 1484 +ATOM C CG ' ' ASP A 1 181 . 181 ASP A CG 23.61 1.0 36.593998 13.344002 60.434 1 1485 +ATOM O OD1 ' ' ASP A 1 181 . 181 ASP A OD1 24.92 1.0 36.427 13.370001 61.687004 1 1486 +ATOM O OD2 ' ' ASP A 1 181 . 181 ASP A OD2 24.54 1.0 37.697998 13.094002 59.884003 1 1487 +ATOM N N ' ' SER A 1 182 . 182 SER A N 30.48 1.0 33.27 11.188002 61.380005 1 1488 +ATOM C CA ' ' SER A 1 182 . 182 SER A CA 39.22 1.0 33.439 9.797001 61.784004 1 1489 +ATOM C C ' ' SER A 1 182 . 182 SER A C 46.09 1.0 32.742 8.817001 60.839005 1 1490 +ATOM O O ' ' SER A 1 182 . 182 SER A O 40.58 1.0 33.100998 7.630001 60.822998 1 1491 +ATOM C CB ' ' SER A 1 182 . 182 SER A CB 43.15 1.0 32.945 9.629002 63.242004 1 1492 +ATOM O OG ' ' SER A 1 182 . 182 SER A OG 35.95 1.0 31.615997 10.175001 63.416 1 1493 +ATOM N N ' ' ASN A 1 183 . 183 ASN A N 35.45 1.0 31.794998 9.280001 60.022003 1 1494 +ATOM C CA ' ' ASN A 1 183 . 183 ASN A CA 35.5 1.0 30.967999 8.430002 59.169 1 1495 +ATOM C C ' ' ASN A 1 183 . 183 ASN A C 41.55 1.0 31.257 8.706001 57.689003 1 1496 +ATOM O O ' ' ASN A 1 183 . 183 ASN A O 30.51 1.0 31.033 9.823002 57.195 1 1497 +ATOM C CB ' ' ASN A 1 183 . 183 ASN A CB 29.88 1.0 29.480999 8.641001 59.446 1 1498 +ATOM C CG ' ' ASN A 1 183 . 183 ASN A CG 39.38 1.0 28.601997 7.826002 58.502 1 1499 +ATOM O OD1 ' ' ASN A 1 183 . 183 ASN A OD1 33.58 1.0 28.286 8.249001 57.410004 1 1500 +ATOM N ND2 ' ' ASN A 1 183 . 183 ASN A ND2 45.18 1.0 28.217 6.6290016 58.936005 1 1501 +ATOM N N ' ' GLU A 1 184 . 184 GLU A N 37.62 1.0 31.682 7.665001 56.972 1 1502 +ATOM C CA ' ' GLU A 1 184 . 184 GLU A CA 34.75 1.0 32.154 7.837002 55.606003 1 1503 +ATOM C C ' ' GLU A 1 184 . 184 GLU A C 34.28 1.0 31.058998 8.363001 54.692 1 1504 +ATOM O O ' ' GLU A 1 184 . 184 GLU A O 29.84 1.0 31.322998 9.115002 53.744003 1 1505 +ATOM C CB ' ' GLU A 1 184 . 184 GLU A CB 39.57 1.0 32.687 6.5040016 55.063004 1 1506 +ATOM C CG ' ' GLU A 1 184 . 184 GLU A CG 34.6 1.0 33.063 6.571001 53.576004 1 1507 +ATOM C CD ' ' GLU A 1 184 . 184 GLU A CD 39.28 1.0 34.228 7.505001 53.341003 1 1508 +ATOM O OE1 ' ' GLU A 1 184 . 184 GLU A OE1 34.02 1.0 34.948997 7.830002 54.306 1 1509 +ATOM O OE2 ' ' GLU A 1 184 . 184 GLU A OE2 38.54 1.0 34.41 7.962002 52.197998 1 1510 +ATOM N N ' ' SER A 1 185 . 185 SER A N 36.09 1.0 29.828 7.941002 54.924004 1 1511 +ATOM C CA ' ' SER A 1 185 . 185 SER A CA 33.91 1.0 28.752998 8.353001 54.036003 1 1512 +ATOM C C ' ' SER A 1 185 . 185 SER A C 33.04 1.0 28.465 9.845001 54.184 1 1513 +ATOM O O ' ' SER A 1 185 . 185 SER A O 25.63 1.0 28.196999 10.561001 53.193 1 1514 +ATOM C CB ' ' SER A 1 185 . 185 SER A CB 36.58 1.0 27.528 7.5180016 54.366005 1 1515 +ATOM O OG ' ' SER A 1 185 . 185 SER A OG 44.58 1.0 26.478 7.825001 53.533005 1 1516 +ATOM N N ' ' VAL A 1 186 . 186 VAL A N 28.03 1.0 28.473 10.312002 55.424004 1 1517 +ATOM C CA ' ' VAL A 1 186 . 186 VAL A CA 29.29 1.0 28.292 11.744001 55.678 1 1518 +ATOM C C ' ' VAL A 1 186 . 186 VAL A C 23.87 1.0 29.392998 12.538002 54.987 1 1519 +ATOM O O ' ' VAL A 1 186 . 186 VAL A O 24.64 1.0 29.133999 13.575001 54.371002 1 1520 +ATOM C CB ' ' VAL A 1 186 . 186 VAL A CB 27.33 1.0 28.259998 12.010002 57.203003 1 1521 +ATOM C CG1 ' ' VAL A 1 186 . 186 VAL A CG1 25.82 1.0 28.273998 13.534002 57.476997 1 1522 +ATOM C CG2 ' ' VAL A 1 186 . 186 VAL A CG2 27.3 1.0 26.967 11.350002 57.797005 1 1523 +ATOM N N ' ' VAL A 1 187 . 187 VAL A N 23.13 1.0 30.629997 12.059002 55.076004 1 1524 +ATOM C CA ' ' VAL A 1 187 . 187 VAL A CA 22.79 1.0 31.772999 12.779001 54.533005 1 1525 +ATOM C C ' ' VAL A 1 187 . 187 VAL A C 27.15 1.0 31.666 12.878002 53.021004 1 1526 +ATOM O O ' ' VAL A 1 187 . 187 VAL A O 20.88 1.0 31.904 13.945002 52.436005 1 1527 +ATOM C CB ' ' VAL A 1 187 . 187 VAL A CB 25.28 1.0 33.093 12.102001 54.966003 1 1528 +ATOM C CG1 ' ' VAL A 1 187 . 187 VAL A CG1 22.92 1.0 34.264 12.617001 54.095 1 1529 +ATOM C CG2 ' ' VAL A 1 187 . 187 VAL A CG2 27.48 1.0 33.351997 12.311001 56.478004 1 1530 +ATOM N N ' ' GLU A 1 188 . 188 GLU A N 22.04 1.0 31.305 11.768002 52.356003 1 1531 +ATOM C CA ' ' GLU A 1 188 . 188 GLU A CA 21.97 1.0 31.21 11.791002 50.9 1 1532 +ATOM C C ' ' GLU A 1 188 . 188 GLU A C 22.12 1.0 30.112999 12.714001 50.411003 1 1533 +ATOM O O ' ' GLU A 1 188 . 188 GLU A O 21.29 1.0 30.280998 13.362001 49.363 1 1534 +ATOM C CB ' ' GLU A 1 188 . 188 GLU A CB 25.84 1.0 30.975998 10.388002 50.337997 1 1535 +ATOM C CG ' ' GLU A 1 188 . 188 GLU A CG 30.26 1.0 32.175 9.454002 50.642 1 1536 +ATOM C CD ' ' GLU A 1 188 . 188 GLU A CD 45.76 1.0 31.995998 8.050001 50.061005 1 1537 +ATOM O OE1 ' ' GLU A 1 188 . 188 GLU A OE1 48.37 1.0 31.061 7.863001 49.263 1 1538 +ATOM O OE2 ' ' GLU A 1 188 . 188 GLU A OE2 37.06 1.0 32.805 7.151001 50.409004 1 1539 +ATOM N N ' ' ARG A 1 189 . 189 ARG A N 20.24 1.0 28.983997 12.778002 51.127 1 1540 +ATOM C CA ' ' ARG A 1 189 . 189 ARG A CA 22.48 1.0 27.897999 13.688002 50.767998 1 1541 +ATOM C C ' ' ARG A 1 189 . 189 ARG A C 21.98 1.0 28.244999 15.137001 51.067 1 1542 +ATOM O O ' ' ARG A 1 189 . 189 ARG A O 20.5 1.0 27.73 16.045002 50.396004 1 1543 +ATOM C CB ' ' ARG A 1 189 . 189 ARG A CB 28.44 1.0 26.603 13.340002 51.499 1 1544 +ATOM C CG ' ' ARG A 1 189 . 189 ARG A CG 37.4 1.0 25.973999 12.035002 50.899002 1 1545 +ATOM C CD ' ' ARG A 1 189 . 189 ARG A CD 43.79 1.0 24.587002 11.693001 51.456 1 1546 +ATOM N NE ' ' ARG A 1 189 . 189 ARG A NE 43.34 1.0 24.457 11.886002 52.906 1 1547 +ATOM C CZ ' ' ARG A 1 189 . 189 ARG A CZ 45.4 1.0 24.584 10.922001 53.801003 1 1548 +ATOM N NH1 ' ' ARG A 1 189 . 189 ARG A NH1 55.96 1.0 24.845001 9.686001 53.443 1 1549 +ATOM N NH2 ' ' ARG A 1 189 . 189 ARG A NH2 42.95 1.0 24.446999 11.204002 55.092003 1 1550 +ATOM N N ' ' TYR A 1 190 . 190 TYR A N 19.81 1.0 29.162998 15.340002 52.0 1 1551 +ATOM C CA ' ' TYR A 1 190 . 190 TYR A CA 19.59 1.0 29.510998 16.69 52.456 1 1552 +ATOM C C ' ' TYR A 1 190 . 190 TYR A C 18.82 1.0 30.528 17.339 51.528 1 1553 +ATOM O O ' ' TYR A 1 190 . 190 TYR A O 17.12 1.0 30.468998 18.552002 51.277 1 1554 +ATOM C CB ' ' TYR A 1 190 . 190 TYR A CB 17.67 1.0 30.056 16.586002 53.866005 1 1555 +ATOM C CG ' ' TYR A 1 190 . 190 TYR A CG 17.92 1.0 30.667 17.857002 54.413002 1 1556 +ATOM C CD1 ' ' TYR A 1 190 . 190 TYR A CD1 20.02 1.0 29.869 18.993002 54.586998 1 1557 +ATOM C CD2 ' ' TYR A 1 190 . 190 TYR A CD2 18.41 1.0 32.009 17.903002 54.802002 1 1558 +ATOM C CE1 ' ' TYR A 1 190 . 190 TYR A CE1 20.01 1.0 30.399998 20.159 55.160004 1 1559 +ATOM C CE2 ' ' TYR A 1 190 . 190 TYR A CE2 17.15 1.0 32.541 19.087002 55.408005 1 1560 +ATOM C CZ ' ' TYR A 1 190 . 190 TYR A CZ 18.09 1.0 31.686 20.198002 55.539 1 1561 +ATOM O OH ' ' TYR A 1 190 . 190 TYR A OH 19.61 1.0 32.125 21.387001 56.067 1 1562 +ATOM N N ' ' LEU A 1 191 . 191 LEU A N 17.27 1.0 31.465 16.569002 50.989 1 1563 +ATOM C CA ' ' LEU A 1 191 . 191 LEU A CA 20.91 1.0 32.580997 17.208002 50.288002 1 1564 +ATOM C C ' ' LEU A 1 191 . 191 LEU A C 17.77 1.0 32.186 18.043001 49.059 1 1565 +ATOM O O ' ' LEU A 1 191 . 191 LEU A O 17.61 1.0 32.825 19.087002 48.851997 1 1566 +ATOM C CB ' ' LEU A 1 191 . 191 LEU A CB 20.27 1.0 33.642 16.144001 49.955 1 1567 +ATOM C CG ' ' LEU A 1 191 . 191 LEU A CG 21.63 1.0 34.501 15.683001 51.192 1 1568 +ATOM C CD1 ' ' LEU A 1 191 . 191 LEU A CD1 25.98 1.0 35.372997 14.500002 50.770004 1 1569 +ATOM C CD2 ' ' LEU A 1 191 . 191 LEU A CD2 22.76 1.0 35.36 16.795002 51.783005 1 1570 +ATOM N N ' ' PRO A 1 192 . 192 PRO A N 18.89 1.0 31.170998 17.709002 48.243004 1 1571 +ATOM C CA ' ' PRO A 1 192 . 192 PRO A CA 15.92 1.0 30.779 18.647001 47.160004 1 1572 +ATOM C C ' ' PRO A 1 192 . 192 PRO A C 16.57 1.0 30.337997 20.005001 47.697 1 1573 +ATOM O O ' ' PRO A 1 192 . 192 PRO A O 16.77 1.0 30.464 21.034 47.012 1 1574 +ATOM C CB ' ' PRO A 1 192 . 192 PRO A CB 20.35 1.0 29.597 17.930002 46.489998 1 1575 +ATOM C CG ' ' PRO A 1 192 . 192 PRO A CG 24.96 1.0 29.936 16.424002 46.786003 1 1576 +ATOM C CD ' ' PRO A 1 192 . 192 PRO A CD 21.74 1.0 30.41 16.439001 48.196 1 1577 +ATOM N N ' ' HIS A 1 193 . 193 HIS A N 15.23 1.0 29.759998 20.033 48.909004 1 1578 +ATOM C CA ' ' HIS A 1 193 . 193 HIS A CA 18.08 1.0 29.404 21.318 49.505005 1 1579 +ATOM C C ' ' HIS A 1 193 . 193 HIS A C 16.78 1.0 30.614998 22.046001 50.07 1 1580 +ATOM O O ' ' HIS A 1 193 . 193 HIS A O 15.86 1.0 30.559998 23.27 50.196 1 1581 +ATOM C CB ' ' HIS A 1 193 . 193 HIS A CB 17.52 1.0 28.347 21.125002 50.607002 1 1582 +ATOM C CG ' ' HIS A 1 193 . 193 HIS A CG 19.58 1.0 27.112 20.479 50.065002 1 1583 +ATOM N ND1 ' ' HIS A 1 193 . 193 HIS A ND1 23.03 1.0 26.089 21.210001 49.514 1 1584 +ATOM C CD2 ' ' HIS A 1 193 . 193 HIS A CD2 24.71 1.0 26.773998 19.173 49.92 1 1585 +ATOM C CE1 ' ' HIS A 1 193 . 193 HIS A CE1 24.6 1.0 25.14 20.386002 49.072998 1 1586 +ATOM N NE2 ' ' HIS A 1 193 . 193 HIS A NE2 26.06 1.0 25.531998 19.149002 49.294 1 1587 +ATOM N N ' ' VAL A 1 194 . 194 VAL A N 13.26 1.0 31.684998 21.318 50.367004 1 1588 +ATOM C CA ' ' VAL A 1 194 . 194 VAL A CA 15.3 1.0 32.968 21.981003 50.630005 1 1589 +ATOM C C ' ' VAL A 1 194 . 194 VAL A C 15.41 1.0 33.522 22.595001 49.332 1 1590 +ATOM O O ' ' VAL A 1 194 . 194 VAL A O 15.83 1.0 33.993 23.747002 49.328003 1 1591 +ATOM C CB ' ' VAL A 1 194 . 194 VAL A CB 14.67 1.0 33.965 20.974003 51.236 1 1592 +ATOM C CG1 ' ' VAL A 1 194 . 194 VAL A CG1 17.98 1.0 35.299 21.720001 51.505005 1 1593 +ATOM C CG2 ' ' VAL A 1 194 . 194 VAL A CG2 16.39 1.0 33.426 20.491001 52.589005 1 1594 +ATOM N N ' ' THR A 1 195 . 195 THR A N 15.31 1.0 33.424 21.861 48.208 1 1595 +ATOM C CA ' ' THR A 1 195 . 195 THR A CA 14.17 1.0 33.892 22.455002 46.947 1 1596 +ATOM C C ' ' THR A 1 195 . 195 THR A C 16.75 1.0 33.133 23.753002 46.648003 1 1597 +ATOM O O ' ' THR A 1 195 . 195 THR A O 13.59 1.0 33.746 24.767002 46.246002 1 1598 +ATOM C CB ' ' THR A 1 195 . 195 THR A CB 15.11 1.0 33.691998 21.442001 45.817 1 1599 +ATOM O OG1 ' ' THR A 1 195 . 195 THR A OG1 17.88 1.0 34.487 20.276001 46.174004 1 1600 +ATOM C CG2 ' ' THR A 1 195 . 195 THR A CG2 16.25 1.0 34.27 22.02 44.511 1 1601 +ATOM N N ' ' LYS A 1 196 . 196 LYS A N 15.08 1.0 31.799 23.729 46.849 1 1602 +ATOM C CA ' ' LYS A 1 196 . 196 LYS A CA 15.05 1.0 30.96 24.900002 46.568 1 1603 +ATOM C C ' ' LYS A 1 196 . 196 LYS A C 13.8 1.0 31.383 26.074001 47.429 1 1604 +ATOM O O ' ' LYS A 1 196 . 196 LYS A O 14.76 1.0 31.459 27.223001 46.96 1 1605 +ATOM C CB ' ' LYS A 1 196 . 196 LYS A CB 15.9 1.0 29.473 24.557001 46.813004 1 1606 +ATOM C CG ' ' LYS A 1 196 . 196 LYS A CG 16.04 1.0 28.481998 25.640001 46.341003 1 1607 +ATOM C CD ' ' LYS A 1 196 . 196 LYS A CD 19.67 1.0 27.027 25.063002 46.683 1 1608 +ATOM C CE ' ' LYS A 1 196 . 196 LYS A CE 24.61 1.0 25.994 26.083 46.697998 1 1609 +ATOM N NZ ' ' LYS A 1 196 . 196 LYS A NZ 21.3 1.0 24.647999 25.381 46.888 1 1610 +ATOM N N ' ' TYR A 1 197 . 197 TYR A N 11.53 1.0 31.675999 25.803001 48.692 1 1611 +ATOM C CA ' ' TYR A 1 197 . 197 TYR A CA 12.45 1.0 32.129997 26.858002 49.600998 1 1612 +ATOM C C ' ' TYR A 1 197 . 197 TYR A C 14.11 1.0 33.496998 27.401001 49.175003 1 1613 +ATOM O O ' ' TYR A 1 197 . 197 TYR A O 14.65 1.0 33.717 28.634 49.148003 1 1614 +ATOM C CB ' ' TYR A 1 197 . 197 TYR A CB 11.72 1.0 32.193 26.256 51.007004 1 1615 +ATOM C CG ' ' TYR A 1 197 . 197 TYR A CG 13.36 1.0 32.786 27.137001 52.031 1 1616 +ATOM C CD1 ' ' TYR A 1 197 . 197 TYR A CD1 18.0 1.0 31.954998 28.031002 52.730003 1 1617 +ATOM C CD2 ' ' TYR A 1 197 . 197 TYR A CD2 15.1 1.0 34.114998 27.078001 52.313004 1 1618 +ATOM C CE1 ' ' TYR A 1 197 . 197 TYR A CE1 18.15 1.0 32.503 28.882002 53.769005 1 1619 +ATOM C CE2 ' ' TYR A 1 197 . 197 TYR A CE2 21.12 1.0 34.631 27.882002 53.285004 1 1620 +ATOM C CZ ' ' TYR A 1 197 . 197 TYR A CZ 20.03 1.0 33.846 28.767002 53.987 1 1621 +ATOM O OH ' ' TYR A 1 197 . 197 TYR A OH 27.14 1.0 34.452 29.528002 54.985 1 1622 +ATOM N N ' ' ILE A 1 198 . 198 ILE A N 13.63 1.0 34.422 26.513 48.831 1 1623 +ATOM C CA ' ' ILE A 1 198 . 198 ILE A CA 13.23 1.0 35.765 26.970001 48.437004 1 1624 +ATOM C C ' ' ILE A 1 198 . 198 ILE A C 13.63 1.0 35.653 27.918001 47.245003 1 1625 +ATOM O O ' ' ILE A 1 198 . 198 ILE A O 16.5 1.0 36.195 29.022001 47.262 1 1626 +ATOM C CB ' ' ILE A 1 198 . 198 ILE A CB 16.53 1.0 36.665 25.768002 48.097 1 1627 +ATOM C CG1 ' ' ILE A 1 198 . 198 ILE A CG1 14.43 1.0 37.004997 24.947002 49.376 1 1628 +ATOM C CG2 ' ' ILE A 1 198 . 198 ILE A CG2 15.74 1.0 37.947998 26.252003 47.414 1 1629 +ATOM C CD1 ' ' ILE A 1 198 . 198 ILE A CD1 14.89 1.0 37.527 23.562 48.959 1 1630 +ATOM N N ' ' VAL A 1 199 . 199 VAL A N 13.0 1.0 34.944 27.506 46.197 1 1631 +ATOM C CA ' ' VAL A 1 199 . 199 VAL A CA 13.64 1.0 34.927 28.331001 44.985 1 1632 +ATOM C C ' ' VAL A 1 199 . 199 VAL A C 16.6 1.0 34.226997 29.649002 45.263 1 1633 +ATOM O O ' ' VAL A 1 199 . 199 VAL A O 18.85 1.0 34.733997 30.706001 44.9 1 1634 +ATOM C CB ' ' VAL A 1 199 . 199 VAL A CB 13.66 1.0 34.261997 27.611002 43.792 1 1635 +ATOM C CG1 ' ' VAL A 1 199 . 199 VAL A CG1 15.77 1.0 34.364 28.534 42.544 1 1636 +ATOM C CG2 ' ' VAL A 1 199 . 199 VAL A CG2 17.97 1.0 35.014 26.257002 43.542 1 1637 +ATOM N N ' ' THR A 1 200 . 200 THR A N 14.21 1.0 33.038 29.602001 45.888 1 1638 +ATOM C CA ' ' THR A 1 200 . 200 THR A CA 12.98 1.0 32.287 30.838001 46.069 1 1639 +ATOM C C ' ' THR A 1 200 . 200 THR A C 16.09 1.0 32.966 31.779001 47.071 1 1640 +ATOM O O ' ' THR A 1 200 . 200 THR A O 16.61 1.0 32.974 32.998 46.832 1 1641 +ATOM C CB ' ' THR A 1 200 . 200 THR A CB 15.33 1.0 30.846 30.579002 46.526 1 1642 +ATOM O OG1 ' ' THR A 1 200 . 200 THR A OG1 15.67 1.0 30.848999 29.771002 47.743004 1 1643 +ATOM C CG2 ' ' THR A 1 200 . 200 THR A CG2 14.96 1.0 30.004997 29.927002 45.405 1 1644 +ATOM N N ' ' VAL A 1 201 . 201 VAL A N 15.66 1.0 33.506 31.264002 48.191 1 1645 +ATOM C CA ' ' VAL A 1 201 . 201 VAL A CA 18.96 1.0 34.024 32.152 49.260002 1 1646 +ATOM C C ' ' VAL A 1 201 . 201 VAL A C 18.82 1.0 35.508 32.457 49.08 1 1647 +ATOM O O ' ' VAL A 1 201 . 201 VAL A O 20.92 1.0 35.920998 33.61 49.214005 1 1648 +ATOM C CB ' ' VAL A 1 201 . 201 VAL A CB 19.09 1.0 33.746 31.560001 50.67 1 1649 +ATOM C CG1 ' ' VAL A 1 201 . 201 VAL A CG1 21.81 1.0 34.281998 32.552002 51.788002 1 1650 +ATOM C CG2 ' ' VAL A 1 201 . 201 VAL A CG2 18.44 1.0 32.209 31.391 50.861 1 1651 +ATOM N N ' ' ILE A 1 202 . 202 ILE A N 15.69 1.0 36.314 31.472002 48.686005 1 1652 +ATOM C CA ' ' ILE A 1 202 . 202 ILE A CA 16.61 1.0 37.768997 31.624 48.633003 1 1653 +ATOM C C ' ' ILE A 1 202 . 202 ILE A C 17.71 1.0 38.306 31.599 47.206 1 1654 +ATOM O O ' ' ILE A 1 202 . 202 ILE A O 20.05 1.0 39.508 31.768002 47.010002 1 1655 +ATOM C CB ' ' ILE A 1 202 . 202 ILE A CB 17.89 1.0 38.422 30.508001 49.475 1 1656 +ATOM C CG1 ' ' ILE A 1 202 . 202 ILE A CG1 21.49 1.0 37.6 30.312 50.762 1 1657 +ATOM C CG2 ' ' ILE A 1 202 . 202 ILE A CG2 23.26 1.0 39.919 30.77 49.815002 1 1658 +ATOM C CD1 ' ' ILE A 1 202 . 202 ILE A CD1 28.49 1.0 38.0 29.039001 51.551003 1 1659 +ATOM N N ' ' GLY A 1 203 . 203 GLY A N 14.87 1.0 37.461 31.362001 46.184 1 1660 +ATOM C CA ' ' GLY A 1 203 . 203 GLY A CA 16.29 1.0 38.038998 31.023003 44.909004 1 1661 +ATOM C C ' ' GLY A 1 203 . 203 GLY A C 18.23 1.0 38.901 32.104 44.275 1 1662 +ATOM O O ' ' GLY A 1 203 . 203 GLY A O 17.31 1.0 39.802 31.794003 43.493004 1 1663 +ATOM N N ' ' HIS A 1 204 . 204 HIS A N 16.28 1.0 38.633 33.381 44.578003 1 1664 +ATOM C CA ' ' HIS A 1 204 . 204 HIS A CA 19.1 1.0 39.441998 34.425003 43.986 1 1665 +ATOM C C ' ' HIS A 1 204 . 204 HIS A C 25.35 1.0 40.874 34.306 44.491005 1 1666 +ATOM O O ' ' HIS A 1 204 . 204 HIS A O 23.51 1.0 41.827 34.705 43.812004 1 1667 +ATOM C CB ' ' HIS A 1 204 . 204 HIS A CB 21.56 1.0 38.871998 35.79 44.374 1 1668 +ATOM C CG ' ' HIS A 1 204 . 204 HIS A CG 25.93 1.0 39.527 36.926003 43.660004 1 1669 +ATOM N ND1 ' ' HIS A 1 204 . 204 HIS A ND1 29.58 1.0 39.524 37.045002 42.285004 1 1670 +ATOM C CD2 ' ' HIS A 1 204 . 204 HIS A CD2 33.96 1.0 40.203 38.009003 44.134003 1 1671 +ATOM C CE1 ' ' HIS A 1 204 . 204 HIS A CE1 35.71 1.0 40.174 38.146 41.938004 1 1672 +ATOM N NE2 ' ' HIS A 1 204 . 204 HIS A NE2 32.22 1.0 40.578 38.758003 43.04 1 1673 +ATOM N N ' ' TYR A 1 205 . 205 TYR A N 16.18 1.0 41.02 33.742 45.682 1 1674 +ATOM C CA ' ' TYR A 1 205 . 205 TYR A CA 19.48 1.0 42.293 33.638 46.383003 1 1675 +ATOM C C ' ' TYR A 1 205 . 205 TYR A C 20.38 1.0 42.797 32.2 46.385002 1 1676 +ATOM O O ' ' TYR A 1 205 . 205 TYR A O 21.71 1.0 43.523 31.801003 47.307 1 1677 +ATOM C CB ' ' TYR A 1 205 . 205 TYR A CB 21.92 1.0 42.125 34.171 47.819 1 1678 +ATOM C CG ' ' TYR A 1 205 . 205 TYR A CG 25.68 1.0 41.557 35.586002 47.872 1 1679 +ATOM C CD1 ' ' TYR A 1 205 . 205 TYR A CD1 23.53 1.0 42.343 36.688 47.53 1 1680 +ATOM C CD2 ' ' TYR A 1 205 . 205 TYR A CD2 29.21 1.0 40.219997 35.808002 48.216003 1 1681 +ATOM C CE1 ' ' TYR A 1 205 . 205 TYR A CE1 27.65 1.0 41.8 38.02 47.542 1 1682 +ATOM C CE2 ' ' TYR A 1 205 . 205 TYR A CE2 27.99 1.0 39.684 37.105003 48.253998 1 1683 +ATOM C CZ ' ' TYR A 1 205 . 205 TYR A CZ 31.18 1.0 40.496 38.189003 47.913002 1 1684 +ATOM O OH ' ' TYR A 1 205 . 205 TYR A OH 34.35 1.0 39.978 39.448 47.947 1 1685 +ATOM N N ' ' LYS A 1 206 . 206 LYS A N 19.17 1.0 42.39 31.387001 45.391 1 1686 +ATOM C CA ' ' LYS A 1 206 . 206 LYS A CA 20.71 1.0 42.684 29.959002 45.497 1 1687 +ATOM C C ' ' LYS A 1 206 . 206 LYS A C 26.08 1.0 44.195 29.708002 45.545 1 1688 +ATOM O O ' ' LYS A 1 206 . 206 LYS A O 23.08 1.0 44.628 28.695002 46.105003 1 1689 +ATOM C CB ' ' LYS A 1 206 . 206 LYS A CB 20.95 1.0 42.03 29.146002 44.370003 1 1690 +ATOM C CG ' ' LYS A 1 206 . 206 LYS A CG 22.16 1.0 42.533 29.427002 42.967003 1 1691 +ATOM C CD ' ' LYS A 1 206 . 206 LYS A CD 19.6 1.0 41.614998 28.667002 41.967003 1 1692 +ATOM C CE ' ' LYS A 1 206 . 206 LYS A CE 25.44 1.0 42.156 28.826002 40.558 1 1693 +ATOM N NZ ' ' LYS A 1 206 . 206 LYS A NZ 27.53 1.0 42.415 30.219002 40.200005 1 1694 +ATOM N N ' ' ASN A 1 207 . 207 ASN A N 22.61 1.0 45.021 30.619001 45.023003 1 1695 +ATOM C CA A ASN A 1 207 . 207 ASN A CA 26.45 0.5 46.48 30.488 45.190002 1 1696 +ATOM C C A ASN A 1 207 . 207 ASN A C 26.17 0.5 46.888 30.549002 46.653 1 1697 +ATOM O O A ASN A 1 207 . 207 ASN A O 28.25 0.5 47.872997 29.920002 47.067 1 1698 +ATOM C CB A ASN A 1 207 . 207 ASN A CB 28.69 0.5 47.202 31.585001 44.374 1 1699 +ATOM C CG A ASN A 1 207 . 207 ASN A CG 30.76 0.5 47.064 32.978 44.989998 1 1700 +ATOM O OD1 A ASN A 1 207 . 207 ASN A OD1 27.0 0.5 46.022 33.614002 44.883003 1 1701 +ATOM N ND2 A ASN A 1 207 . 207 ASN A ND2 35.66 0.5 48.135 33.462 45.639 1 1702 +ATOM C CA B ASN A 1 207 . 207 ASN A CA 26.5 0.5 46.457 30.368002 45.197 1 1703 +ATOM C C B ASN A 1 207 . 207 ASN A C 26.16 0.5 46.926 30.588001 46.637 1 1704 +ATOM O O B ASN A 1 207 . 207 ASN A O 28.04 0.5 47.983997 30.075 47.023003 1 1705 +ATOM C CB B ASN A 1 207 . 207 ASN A CB 29.39 0.5 47.251 31.220001 44.203003 1 1706 +ATOM C CG B ASN A 1 207 . 207 ASN A CG 30.27 0.5 47.100998 30.739002 42.751 1 1707 +ATOM O OD1 B ASN A 1 207 . 207 ASN A OD1 32.81 0.5 46.621998 29.619001 42.454002 1 1708 +ATOM N ND2 B ASN A 1 207 . 207 ASN A ND2 39.35 0.5 47.524 31.589 41.83 1 1709 +ATOM N N ' ' TYR A 1 208 . 208 TYR A N 24.0 1.0 46.184998 31.324001 47.464005 1 1710 +ATOM C CA ' ' TYR A 1 208 . 208 TYR A CA 23.1 1.0 46.55 31.374 48.882004 1 1711 +ATOM C C ' ' TYR A 1 208 . 208 TYR A C 24.97 1.0 46.111 30.111002 49.639 1 1712 +ATOM O O ' ' TYR A 1 208 . 208 TYR A O 23.13 1.0 46.608997 29.847002 50.742004 1 1713 +ATOM C CB ' ' TYR A 1 208 . 208 TYR A CB 25.86 1.0 45.93 32.591003 49.553 1 1714 +ATOM C CG ' ' TYR A 1 208 . 208 TYR A CG 27.25 1.0 46.576 33.884003 49.109 1 1715 +ATOM C CD1 ' ' TYR A 1 208 . 208 TYR A CD1 29.71 1.0 47.714 34.378002 49.772003 1 1716 +ATOM C CD2 ' ' TYR A 1 208 . 208 TYR A CD2 27.47 1.0 46.049 34.615 48.038002 1 1717 +ATOM C CE1 ' ' TYR A 1 208 . 208 TYR A CE1 34.12 1.0 48.322 35.572002 49.375 1 1718 +ATOM C CE2 ' ' TYR A 1 208 . 208 TYR A CE2 32.56 1.0 46.655 35.802002 47.635002 1 1719 +ATOM C CZ ' ' TYR A 1 208 . 208 TYR A CZ 43.06 1.0 47.788998 36.272003 48.302002 1 1720 +ATOM O OH ' ' TYR A 1 208 . 208 TYR A OH 48.08 1.0 48.372997 37.464 47.899002 1 1721 +ATOM N N ' ' ILE A 1 209 . 209 ILE A N 19.89 1.0 45.165 29.337002 49.11 1 1722 +ATOM C CA ' ' ILE A 1 209 . 209 ILE A CA 21.99 1.0 44.917 28.001001 49.672005 1 1723 +ATOM C C ' ' ILE A 1 209 . 209 ILE A C 23.44 1.0 46.172 27.149002 49.590004 1 1724 +ATOM O O ' ' ILE A 1 209 . 209 ILE A O 21.65 1.0 46.558 26.455002 50.547005 1 1725 +ATOM C CB ' ' ILE A 1 209 . 209 ILE A CB 20.6 1.0 43.745 27.317001 48.941 1 1726 +ATOM C CG1 ' ' ILE A 1 209 . 209 ILE A CG1 19.32 1.0 42.506 28.137001 49.184998 1 1727 +ATOM C CG2 ' ' ILE A 1 209 . 209 ILE A CG2 22.6 1.0 43.635 25.793001 49.406998 1 1728 +ATOM C CD1 ' ' ILE A 1 209 . 209 ILE A CD1 22.0 1.0 41.26 27.614002 48.336 1 1729 +ATOM N N ' ' LEU A 1 210 . 210 LEU A N 25.8 1.0 46.807 27.136002 48.422005 1 1730 +ATOM C CA ' ' LEU A 1 210 . 210 LEU A CA 21.25 1.0 48.023 26.341002 48.287003 1 1731 +ATOM C C ' ' LEU A 1 210 . 210 LEU A C 26.12 1.0 49.115997 26.834002 49.251 1 1732 +ATOM O O ' ' LEU A 1 210 . 210 LEU A O 25.74 1.0 49.759 26.033 49.940002 1 1733 +ATOM C CB ' ' LEU A 1 210 . 210 LEU A CB 25.75 1.0 48.527 26.389002 46.839005 1 1734 +ATOM C CG ' ' LEU A 1 210 . 210 LEU A CG 27.65 1.0 47.409 26.04 45.811005 1 1735 +ATOM C CD1 ' ' LEU A 1 210 . 210 LEU A CD1 32.24 1.0 47.946 26.106003 44.378998 1 1736 +ATOM C CD2 ' ' LEU A 1 210 . 210 LEU A CD2 28.9 1.0 46.919 24.621002 46.165 1 1737 +ATOM N N ' ' GLU A 1 211 . 211 GLU A N 25.71 1.0 49.323997 28.155003 49.337997 1 1738 +ATOM C CA ' ' GLU A 1 211 . 211 GLU A CA 25.39 1.0 50.333 28.652 50.289 1 1739 +ATOM C C ' ' GLU A 1 211 . 211 GLU A C 28.22 1.0 49.962997 28.307001 51.726997 1 1740 +ATOM O O ' ' GLU A 1 211 . 211 GLU A O 25.08 1.0 50.830997 27.917002 52.529 1 1741 +ATOM C CB ' ' GLU A 1 211 . 211 GLU A CB 30.91 1.0 50.492 30.169003 50.135002 1 1742 +ATOM C CG ' ' GLU A 1 211 . 211 GLU A CG 38.91 1.0 51.033 30.602001 48.795998 1 1743 +ATOM N N ' ' GLY A 1 212 . 212 GLY A N 23.26 1.0 48.68 28.474 52.087997 1 1744 +ATOM C CA ' ' GLY A 1 212 . 212 GLY A CA 25.46 1.0 48.251 28.183002 53.447 1 1745 +ATOM C C ' ' GLY A 1 212 . 212 GLY A C 21.92 1.0 48.357998 26.707 53.794 1 1746 +ATOM O O ' ' GLY A 1 212 . 212 GLY A O 24.48 1.0 48.792 26.349003 54.904 1 1747 +ATOM N N ' ' ALA A 1 213 . 213 ALA A N 20.39 1.0 48.03 25.834002 52.857002 1 1748 +ATOM C CA ' ' ALA A 1 213 . 213 ALA A CA 24.71 1.0 48.179 24.418001 53.156998 1 1749 +ATOM C C ' ' ALA A 1 213 . 213 ALA A C 26.53 1.0 49.648 24.080002 53.414 1 1750 +ATOM O O ' ' ALA A 1 213 . 213 ALA A O 29.91 1.0 49.961 23.257002 54.264 1 1751 +ATOM C CB ' ' ALA A 1 213 . 213 ALA A CB 23.8 1.0 47.628 23.565002 52.017 1 1752 +ATOM N N ' ' GLU A 1 214 . 214 GLU A N 28.31 1.0 50.559 24.704002 52.675003 1 1753 +ATOM C CA ' ' GLU A 1 214 . 214 GLU A CA 32.84 1.0 51.975 24.417002 52.891 1 1754 +ATOM C C ' ' GLU A 1 214 . 214 GLU A C 30.83 1.0 52.424 24.911001 54.251 1 1755 +ATOM O O ' ' GLU A 1 214 . 214 GLU A O 32.04 1.0 53.186 24.240002 54.968002 1 1756 +ATOM C CB ' ' GLU A 1 214 . 214 GLU A CB 35.53 1.0 52.759 25.078001 51.767998 1 1757 +ATOM C CG ' ' GLU A 1 214 . 214 GLU A CG 53.97 1.0 54.263 25.185001 51.955 1 1758 +ATOM C CD ' ' GLU A 1 214 . 214 GLU A CD 66.43 1.0 54.94 25.393002 50.613 1 1759 +ATOM O OE1 ' ' GLU A 1 214 . 214 GLU A OE1 71.8 1.0 54.365997 24.908 49.604004 1 1760 +ATOM O OE2 ' ' GLU A 1 214 . 214 GLU A OE2 60.9 1.0 56.007 26.050001 50.561005 1 1761 +ATOM N N ' ' LYS A 1 215 . 215 LYS A N 29.27 1.0 51.968 26.101002 54.625 1 1762 +ATOM C CA ' ' LYS A 1 215 . 215 LYS A CA 26.54 1.0 52.302998 26.621002 55.938004 1 1763 +ATOM C C ' ' LYS A 1 215 . 215 LYS A C 27.89 1.0 51.752 25.734001 57.039 1 1764 +ATOM O O ' ' LYS A 1 215 . 215 LYS A O 29.13 1.0 52.420998 25.511002 58.062004 1 1765 +ATOM C CB ' ' LYS A 1 215 . 215 LYS A CB 29.96 1.0 51.784 28.055 56.036003 1 1766 +ATOM C CG ' ' LYS A 1 215 . 215 LYS A CG 36.79 1.0 52.367 28.896002 57.1 1 1767 +ATOM C CD ' ' LYS A 1 215 . 215 LYS A CD 32.86 1.0 52.052 30.350002 56.744003 1 1768 +ATOM C CE ' ' LYS A 1 215 . 215 LYS A CE 31.88 1.0 52.585 31.255001 57.832 1 1769 +ATOM N NZ ' ' LYS A 1 215 . 215 LYS A NZ 36.8 1.0 52.135 32.657 57.682 1 1770 +ATOM N N ' ' LEU A 1 216 . 216 LEU A N 23.22 1.0 50.54 25.199001 56.872 1 1771 +ATOM C CA ' ' LEU A 1 216 . 216 LEU A CA 26.38 1.0 49.961 24.445002 57.989 1 1772 +ATOM C C ' ' LEU A 1 216 . 216 LEU A C 33.62 1.0 50.543 23.038002 58.079002 1 1773 +ATOM O O ' ' LEU A 1 216 . 216 LEU A O 30.38 1.0 50.434998 22.405003 59.142 1 1774 +ATOM C CB ' ' LEU A 1 216 . 216 LEU A CB 25.98 1.0 48.444 24.324001 57.832 1 1775 +ATOM C CG ' ' LEU A 1 216 . 216 LEU A CG 25.82 1.0 47.649 25.649002 57.961998 1 1776 +ATOM C CD1 ' ' LEU A 1 216 . 216 LEU A CD1 34.85 1.0 46.163998 25.289001 57.779 1 1777 +ATOM C CD2 ' ' LEU A 1 216 . 216 LEU A CD2 29.73 1.0 47.979 26.417002 59.279 1 1778 +ATOM N N ' ' SER A 1 217 . 217 SER A N 32.31 1.0 51.106 22.551003 56.96 1 1779 +ATOM C CA ' ' SER A 1 217 . 217 SER A CA 36.89 1.0 51.646 21.193 56.881004 1 1780 +ATOM C C ' ' SER A 1 217 . 217 SER A C 32.19 1.0 52.806 20.992 57.836998 1 1781 +ATOM O O ' ' SER A 1 217 . 217 SER A O 33.37 1.0 53.027 19.857002 58.302002 1 1782 +ATOM C CB ' ' SER A 1 217 . 217 SER A CB 35.05 1.0 52.113 20.879002 55.447998 1 1783 +ATOM O OG ' ' SER A 1 217 . 217 SER A OG 38.17 1.0 53.381 21.492 55.197 1 1784 +ATOM N N ' ' SER A 1 218 . 218 SER A N 28.47 1.0 53.551 22.060001 58.151 1 1785 +ATOM C C ' ' SER A 1 218 . 218 SER A C 33.95 1.0 54.187 21.692001 60.534004 1 1786 +ATOM O O ' ' SER A 1 218 . 218 SER A O 36.41 1.0 55.01 21.305 61.363 1 1787 +ATOM C CA A SER A 1 218 . 218 SER A CA 35.28 0.5 54.649 21.949001 59.105003 1 1788 +ATOM C CB A SER A 1 218 . 218 SER A CB 38.3 0.5 55.502 23.220001 59.093002 1 1789 +ATOM O OG A SER A 1 218 . 218 SER A OG 36.09 0.5 56.011997 23.476002 57.802002 1 1790 +ATOM C CA B SER A 1 218 . 218 SER A CA 35.29 0.5 54.648 21.982002 59.109 1 1791 +ATOM C CB B SER A 1 218 . 218 SER A CB 38.3 0.5 55.44 23.295002 59.095 1 1792 +ATOM O OG B SER A 1 218 . 218 SER A OG 39.07 0.5 54.586 24.409 59.331 1 1793 +ATOM N N ' ' LEU A 1 219 . 219 LEU A N 27.9 1.0 52.909 21.907001 60.851997 1 1794 +ATOM C CA ' ' LEU A 1 219 . 219 LEU A CA 32.34 1.0 52.399998 21.688002 62.211 1 1795 +ATOM C C ' ' LEU A 1 219 . 219 LEU A C 27.49 1.0 51.947998 20.240002 62.327003 1 1796 +ATOM O O ' ' LEU A 1 219 . 219 LEU A O 28.67 1.0 51.511997 19.642002 61.357002 1 1797 +ATOM C CB ' ' LEU A 1 219 . 219 LEU A CB 32.45 1.0 51.176 22.576 62.526 1 1798 +ATOM C CG ' ' LEU A 1 219 . 219 LEU A CG 33.83 1.0 51.246998 24.106003 62.422005 1 1799 +ATOM C CD1 ' ' LEU A 1 219 . 219 LEU A CD1 30.7 1.0 49.853 24.821001 62.454002 1 1800 +ATOM C CD2 ' ' LEU A 1 219 . 219 LEU A CD2 27.96 1.0 52.163998 24.574001 63.541 1 1801 +ATOM N N ' ' LYS A 1 220 . 220 LYS A N 30.14 1.0 52.016 19.699001 63.539 1 1802 +ATOM C CA ' ' LYS A 1 220 . 220 LYS A CA 23.74 1.0 51.389 18.406002 63.809 1 1803 +ATOM C C ' ' LYS A 1 220 . 220 LYS A C 26.85 1.0 49.892998 18.617 63.898003 1 1804 +ATOM O O ' ' LYS A 1 220 . 220 LYS A O 27.76 1.0 49.433 19.318 64.785 1 1805 +ATOM C CB ' ' LYS A 1 220 . 220 LYS A CB 28.13 1.0 51.940998 17.878002 65.134 1 1806 +ATOM C CG ' ' LYS A 1 220 . 220 LYS A CG 28.14 1.0 51.083 16.800001 65.748 1 1807 +ATOM C CD ' ' LYS A 1 220 . 220 LYS A CD 31.14 1.0 51.322 15.543001 65.034004 1 1808 +ATOM C CE ' ' LYS A 1 220 . 220 LYS A CE 29.39 1.0 50.976997 14.340002 65.915 1 1809 +ATOM N NZ ' ' LYS A 1 220 . 220 LYS A NZ 22.66 1.0 51.049 13.087002 65.101 1 1810 +ATOM N N ' ' ILE A 1 221 . 221 ILE A N 24.29 1.0 49.105 18.056002 62.992004 1 1811 +ATOM C CA ' ' ILE A 1 221 . 221 ILE A CA 21.62 1.0 47.677998 18.337002 62.995003 1 1812 +ATOM C C ' ' ILE A 1 221 . 221 ILE A C 22.79 1.0 46.965 17.065 63.368004 1 1813 +ATOM O O ' ' ILE A 1 221 . 221 ILE A O 28.39 1.0 46.920998 16.124 62.572998 1 1814 +ATOM C CB ' ' ILE A 1 221 . 221 ILE A CB 29.77 1.0 47.168 18.827002 61.632004 1 1815 +ATOM C CG1 ' ' ILE A 1 221 . 221 ILE A CG1 29.94 1.0 47.877 20.130001 61.241005 1 1816 +ATOM C CG2 ' ' ILE A 1 221 . 221 ILE A CG2 28.07 1.0 45.634 18.991001 61.715004 1 1817 +ATOM C CD1 ' ' ILE A 1 221 . 221 ILE A CD1 33.75 1.0 47.673 20.504002 59.745003 1 1818 +ATOM N N ' ' LYS A 1 222 . 222 LYS A N 17.68 1.0 46.342 17.072002 64.518 1 1819 +ATOM C CA ' ' LYS A 1 222 . 222 LYS A CA 24.48 1.0 45.533 15.953001 64.96 1 1820 +ATOM C C ' ' LYS A 1 222 . 222 LYS A C 21.19 1.0 44.054 16.153002 64.701004 1 1821 +ATOM O O ' ' LYS A 1 222 . 222 LYS A O 21.76 1.0 43.342 15.158001 64.546 1 1822 +ATOM C CB ' ' LYS A 1 222 . 222 LYS A CB 22.41 1.0 45.732998 15.724001 66.453 1 1823 +ATOM C CG ' ' LYS A 1 222 . 222 LYS A CG 23.27 1.0 47.142998 15.329002 66.819 1 1824 +ATOM C CD ' ' LYS A 1 222 . 222 LYS A CD 25.62 1.0 47.135 15.181002 68.399 1 1825 +ATOM C CE ' ' LYS A 1 222 . 222 LYS A CE 44.43 1.0 48.461 14.7160015 68.98 1 1826 +ATOM N NZ ' ' LYS A 1 222 . 222 LYS A NZ 38.76 1.0 48.256 14.391001 70.442 1 1827 +ATOM N N ' ' ALA A 1 223 . 223 ALA A N 19.51 1.0 43.59 17.416002 64.602 1 1828 +ATOM C CA ' ' ALA A 1 223 . 223 ALA A CA 17.8 1.0 42.167 17.653002 64.364 1 1829 +ATOM C C ' ' ALA A 1 223 . 223 ALA A C 17.3 1.0 42.031998 19.055002 63.813004 1 1830 +ATOM O O ' ' ALA A 1 223 . 223 ALA A O 19.11 1.0 42.835 19.935001 64.141 1 1831 +ATOM C CB ' ' ALA A 1 223 . 223 ALA A CB 19.89 1.0 41.329 17.512001 65.639 1 1832 +ATOM N N ' ' LEU A 1 224 . 224 LEU A N 16.54 1.0 41.024998 19.232002 62.954002 1 1833 +ATOM C CA ' ' LEU A 1 224 . 224 LEU A CA 19.51 1.0 40.765 20.538002 62.368004 1 1834 +ATOM C C ' ' LEU A 1 224 . 224 LEU A C 17.66 1.0 39.321 20.905003 62.708 1 1835 +ATOM O O ' ' LEU A 1 224 . 224 LEU A O 19.79 1.0 38.384 20.159 62.385002 1 1836 +ATOM C CB ' ' LEU A 1 224 . 224 LEU A CB 19.87 1.0 41.015 20.503002 60.856003 1 1837 +ATOM C CG ' ' LEU A 1 224 . 224 LEU A CG 26.74 1.0 41.003 21.907001 60.263 1 1838 +ATOM C CD1 ' ' LEU A 1 224 . 224 LEU A CD1 33.66 1.0 42.038 22.007002 59.159004 1 1839 +ATOM C CD2 ' ' LEU A 1 224 . 224 LEU A CD2 28.94 1.0 39.591 22.176003 59.741005 1 1840 +ATOM N N ' ' LEU A 1 225 . 225 LEU A N 17.14 1.0 39.147 22.042002 63.364998 1 1841 +ATOM C CA ' ' LEU A 1 225 . 225 LEU A CA 14.89 1.0 37.87 22.518002 63.902 1 1842 +ATOM C C ' ' LEU A 1 225 . 225 LEU A C 14.48 1.0 37.538 23.84 63.22 1 1843 +ATOM O O ' ' LEU A 1 225 . 225 LEU A O 15.33 1.0 37.95 24.926003 63.692 1 1844 +ATOM C CB ' ' LEU A 1 225 . 225 LEU A CB 16.15 1.0 38.023 22.722 65.419 1 1845 +ATOM C CG ' ' LEU A 1 225 . 225 LEU A CG 20.86 1.0 37.892 21.503002 66.366005 1 1846 +ATOM C CD1 ' ' LEU A 1 225 . 225 LEU A CD1 21.52 1.0 38.708 20.287003 65.888 1 1847 +ATOM C CD2 ' ' LEU A 1 225 . 225 LEU A CD2 17.07 1.0 38.232998 21.889002 67.863 1 1848 +ATOM N N ' ' PRO A 1 226 . 226 PRO A N 16.15 1.0 36.792 23.816002 62.123 1 1849 +ATOM C CA ' ' PRO A 1 226 . 226 PRO A CA 16.22 1.0 36.527 25.041 61.380005 1 1850 +ATOM C C ' ' PRO A 1 226 . 226 PRO A C 16.04 1.0 35.309998 25.805 61.892998 1 1851 +ATOM O O ' ' PRO A 1 226 . 226 PRO A O 15.33 1.0 34.573997 25.366001 62.783005 1 1852 +ATOM C CB ' ' PRO A 1 226 . 226 PRO A CB 15.67 1.0 36.240997 24.531002 59.948997 1 1853 +ATOM C CG ' ' PRO A 1 226 . 226 PRO A CG 20.87 1.0 35.561 23.188002 60.176003 1 1854 +ATOM C CD ' ' PRO A 1 226 . 226 PRO A CD 18.26 1.0 36.195 22.617 61.520004 1 1855 +ATOM N N ' ' GLY A 1 227 . 227 GLY A N 14.37 1.0 35.099 26.998001 61.301003 1 1856 +ATOM C CA ' ' GLY A 1 227 . 227 GLY A CA 12.62 1.0 34.028 27.876001 61.756004 1 1857 +ATOM C C ' ' GLY A 1 227 . 227 GLY A C 14.01 1.0 32.715 27.595001 61.03 1 1858 +ATOM O O ' ' GLY A 1 227 . 227 GLY A O 15.2 1.0 31.669998 28.186 61.368004 1 1859 +ATOM N N ' ' HIS A 1 228 . 228 HIS A N 15.43 1.0 32.763 26.728 60.036003 1 1860 +ATOM C CA ' ' HIS A 1 228 . 228 HIS A CA 14.32 1.0 31.535 26.310001 59.342003 1 1861 +ATOM C C ' ' HIS A 1 228 . 228 HIS A C 14.33 1.0 31.592999 24.815002 59.045 1 1862 +ATOM O O ' ' HIS A 1 228 . 228 HIS A O 20.33 1.0 32.641 24.325 58.622 1 1863 +ATOM C CB ' ' HIS A 1 228 . 228 HIS A CB 12.99 1.0 31.341 26.984001 57.959 1 1864 +ATOM C CG ' ' HIS A 1 228 . 228 HIS A CG 14.51 1.0 31.36 28.462002 58.001 1 1865 +ATOM N ND1 ' ' HIS A 1 228 . 228 HIS A ND1 13.81 1.0 30.328 29.208002 58.536003 1 1866 +ATOM C CD2 ' ' HIS A 1 228 . 228 HIS A CD2 15.56 1.0 32.267 29.337002 57.520004 1 1867 +ATOM C CE1 ' ' HIS A 1 228 . 228 HIS A CE1 14.81 1.0 30.621998 30.504002 58.422005 1 1868 +ATOM N NE2 ' ' HIS A 1 228 . 228 HIS A NE2 16.13 1.0 31.791 30.593002 57.803 1 1869 +ATOM N N ' ' GLY A 1 229 . 229 GLY A N 15.29 1.0 30.460999 24.126001 59.160004 1 1870 +ATOM C CA ' ' GLY A 1 229 . 229 GLY A CA 13.99 1.0 30.406998 22.754002 58.674004 1 1871 +ATOM C C ' ' GLY A 1 229 . 229 GLY A C 17.64 1.0 30.990997 21.721 59.639 1 1872 +ATOM O O ' ' GLY A 1 229 . 229 GLY A O 19.3 1.0 31.069 21.924002 60.849 1 1873 +ATOM N N ' ' LEU A 1 230 . 230 LEU A N 16.31 1.0 31.439999 20.609001 59.069 1 1874 +ATOM C CA ' ' LEU A 1 230 . 230 LEU A CA 19.25 1.0 31.939999 19.451 59.835 1 1875 +ATOM C C ' ' LEU A 1 230 . 230 LEU A C 19.44 1.0 33.271 19.710001 60.535004 1 1876 +ATOM O O ' ' LEU A 1 230 . 230 LEU A O 17.37 1.0 34.184998 20.376001 60.014 1 1877 +ATOM C CB ' ' LEU A 1 230 . 230 LEU A CB 22.14 1.0 32.136997 18.288002 58.864 1 1878 +ATOM C CG ' ' LEU A 1 230 . 230 LEU A CG 27.86 1.0 31.829998 16.853 59.271004 1 1879 +ATOM C CD1 ' ' LEU A 1 230 . 230 LEU A CD1 18.91 1.0 30.355 16.792002 59.64 1 1880 +ATOM C CD2 ' ' LEU A 1 230 . 230 LEU A CD2 26.38 1.0 32.173 15.916002 58.052002 1 1881 +ATOM N N ' ' ILE A 1 231 . 231 ILE A N 18.47 1.0 33.447 19.070002 61.725998 1 1882 +ATOM C CA ' ' ILE A 1 231 . 231 ILE A CA 18.26 1.0 34.721 19.014002 62.412003 1 1883 +ATOM C C ' ' ILE A 1 231 . 231 ILE A C 19.37 1.0 35.475998 17.740002 62.011 1 1884 +ATOM O O ' ' ILE A 1 231 . 231 ILE A O 21.13 1.0 34.871998 16.691002 61.837997 1 1885 +ATOM C CB ' ' ILE A 1 231 . 231 ILE A CB 19.08 1.0 34.453 19.045002 63.940002 1 1886 +ATOM C CG1 ' ' ILE A 1 231 . 231 ILE A CG1 23.53 1.0 33.809998 20.366001 64.342 1 1887 +ATOM C CG2 ' ' ILE A 1 231 . 231 ILE A CG2 27.05 1.0 35.684 18.704002 64.722 1 1888 +ATOM C CD1 ' ' ILE A 1 231 . 231 ILE A CD1 32.12 1.0 33.001 20.305 65.621 1 1889 +ATOM N N ' ' TRP A 1 232 . 232 TRP A N 17.22 1.0 36.777 17.819002 61.843002 1 1890 +ATOM C CA ' ' TRP A 1 232 . 232 TRP A CA 17.98 1.0 37.576 16.711002 61.293 1 1891 +ATOM C C ' ' TRP A 1 232 . 232 TRP A C 19.36 1.0 38.509 16.255001 62.441 1 1892 +ATOM O O ' ' TRP A 1 232 . 232 TRP A O 22.53 1.0 39.586998 16.796001 62.631004 1 1893 +ATOM C CB ' ' TRP A 1 232 . 232 TRP A CB 19.61 1.0 38.377 17.144001 60.099 1 1894 +ATOM C CG ' ' TRP A 1 232 . 232 TRP A CG 19.79 1.0 37.447998 17.516 58.944 1 1895 +ATOM C CD1 ' ' TRP A 1 232 . 232 TRP A CD1 23.7 1.0 36.698997 18.69 58.814003 1 1896 +ATOM C CD2 ' ' TRP A 1 232 . 232 TRP A CD2 21.05 1.0 37.121 16.7 57.805 1 1897 +ATOM N NE1 ' ' TRP A 1 232 . 232 TRP A NE1 20.86 1.0 35.952 18.641 57.603004 1 1898 +ATOM C CE2 ' ' TRP A 1 232 . 232 TRP A CE2 20.13 1.0 36.207 17.444002 56.987 1 1899 +ATOM C CE3 ' ' TRP A 1 232 . 232 TRP A CE3 20.5 1.0 37.547 15.434002 57.362 1 1900 +ATOM C CZ2 ' ' TRP A 1 232 . 232 TRP A CZ2 21.37 1.0 35.69 16.943 55.772003 1 1901 +ATOM C CZ3 ' ' TRP A 1 232 . 232 TRP A CZ3 24.52 1.0 37.055 14.938002 56.15 1 1902 +ATOM C CH2 ' ' TRP A 1 232 . 232 TRP A CH2 21.88 1.0 36.127 15.692001 55.374 1 1903 +ATOM N N ' ' LYS A 1 233 . 233 LYS A N 22.52 1.0 38.061 15.260002 63.188004 1 1904 +ATOM C CA ' ' LYS A 1 233 . 233 LYS A CA 26.64 1.0 38.899 14.676001 64.243004 1 1905 +ATOM C C ' ' LYS A 1 233 . 233 LYS A C 29.49 1.0 39.659 13.458002 63.758003 1 1906 +ATOM O O ' ' LYS A 1 233 . 233 LYS A O 30.88 1.0 40.71 13.117001 64.311005 1 1907 +ATOM C CB ' ' LYS A 1 233 . 233 LYS A CB 25.88 1.0 38.036 14.224001 65.408005 1 1908 +ATOM C CG ' ' LYS A 1 233 . 233 LYS A CG 34.68 1.0 37.452 15.351002 66.176 1 1909 +ATOM C CD ' ' LYS A 1 233 . 233 LYS A CD 40.58 1.0 37.085 14.962002 67.62 1 1910 +ATOM C CE ' ' LYS A 1 233 . 233 LYS A CE 43.56 1.0 35.693 14.401001 67.771 1 1911 +ATOM N NZ ' ' LYS A 1 233 . 233 LYS A NZ 43.26 1.0 35.431 14.128002 69.268 1 1912 +ATOM N N ' ' LYS A 1 234 . 234 LYS A N 26.38 1.0 39.108997 12.752001 62.788002 1 1913 +ATOM C CA ' ' LYS A 1 234 . 234 LYS A CA 29.78 1.0 39.712997 11.487001 62.4 1 1914 +ATOM C C ' ' LYS A 1 234 . 234 LYS A C 37.25 1.0 40.757 11.684002 61.315002 1 1915 +ATOM O O ' ' LYS A 1 234 . 234 LYS A O 31.94 1.0 41.89 11.224001 61.441 1 1916 +ATOM C CB ' ' LYS A 1 234 . 234 LYS A CB 28.4 1.0 38.604 10.5320015 61.989 1 1917 +ATOM C CG ' ' LYS A 1 234 . 234 LYS A CG 39.27 1.0 39.051 9.106001 61.601997 1 1918 +ATOM C CD ' ' LYS A 1 234 . 234 LYS A CD 43.08 1.0 37.869 8.311001 61.006004 1 1919 +ATOM N N ' ' ASP A 1 235 . 235 ASP A N 31.35 1.0 40.422 12.421001 60.266 1 1920 +ATOM C CA ' ' ASP A 1 235 . 235 ASP A CA 28.01 1.0 41.274 12.514002 59.087997 1 1921 +ATOM C C ' ' ASP A 1 235 . 235 ASP A C 24.47 1.0 41.3 13.950001 58.563004 1 1922 +ATOM O O ' ' ASP A 1 235 . 235 ASP A O 28.24 1.0 40.786 14.229002 57.472 1 1923 +ATOM C CB ' ' ASP A 1 235 . 235 ASP A CB 33.27 1.0 40.731 11.551001 58.024002 1 1924 +ATOM C CG ' ' ASP A 1 235 . 235 ASP A CG 38.89 1.0 41.711998 11.285002 56.937004 1 1925 +ATOM O OD1 ' ' ASP A 1 235 . 235 ASP A OD1 45.49 1.0 42.834 11.804001 57.037003 1 1926 +ATOM O OD2 ' ' ASP A 1 235 . 235 ASP A OD2 44.7 1.0 41.364998 10.552002 55.996002 1 1927 +ATOM N N ' ' PRO A 1 236 . 236 PRO A N 26.9 1.0 41.876 14.889002 59.312004 1 1928 +ATOM C CA ' ' PRO A 1 236 . 236 PRO A CA 25.0 1.0 41.948997 16.273 58.799004 1 1929 +ATOM C C ' ' PRO A 1 236 . 236 PRO A C 27.07 1.0 42.795 16.420002 57.569 1 1930 +ATOM O O ' ' PRO A 1 236 . 236 PRO A O 25.07 1.0 42.612 17.390001 56.822998 1 1931 +ATOM C CB ' ' PRO A 1 236 . 236 PRO A CB 24.23 1.0 42.556 17.067001 59.969 1 1932 +ATOM C CG ' ' PRO A 1 236 . 236 PRO A CG 26.11 1.0 43.27 15.976002 60.828003 1 1933 +ATOM C CD ' ' PRO A 1 236 . 236 PRO A CD 22.85 1.0 42.433 14.774002 60.687004 1 1934 +ATOM N N ' ' GLN A 1 237 . 237 GLN A N 21.02 1.0 43.725998 15.505001 57.318 1 1935 +ATOM C CA ' ' GLN A 1 237 . 237 GLN A CA 28.28 1.0 44.502 15.608002 56.090004 1 1936 +ATOM C C ' ' GLN A 1 237 . 237 GLN A C 23.98 1.0 43.621998 15.427002 54.869003 1 1937 +ATOM O O ' ' GLN A 1 237 . 237 GLN A O 24.67 1.0 43.943 15.918001 53.774002 1 1938 +ATOM C CB ' ' GLN A 1 237 . 237 GLN A CB 33.53 1.0 45.586998 14.534002 56.079002 1 1939 +ATOM C CG ' ' GLN A 1 237 . 237 GLN A CG 41.83 1.0 46.679 14.934002 55.135002 1 1940 +ATOM C CD ' ' GLN A 1 237 . 237 GLN A CD 51.38 1.0 47.406998 16.177002 55.619003 1 1941 +ATOM O OE1 ' ' GLN A 1 237 . 237 GLN A OE1 60.33 1.0 47.844997 16.243002 56.773003 1 1942 +ATOM N NE2 ' ' GLN A 1 237 . 237 GLN A NE2 53.99 1.0 47.5 17.183 54.756004 1 1943 +ATOM N N ' ' ARG A 1 238 . 238 ARG A N 21.85 1.0 42.593998 14.595001 55.002 1 1944 +ATOM C CA ' ' ARG A 1 238 . 238 ARG A CA 24.04 1.0 41.682 14.388002 53.892998 1 1945 +ATOM C C ' ' ARG A 1 238 . 238 ARG A C 22.64 1.0 41.024998 15.699001 53.478004 1 1946 +ATOM O O ' ' ARG A 1 238 . 238 ARG A O 21.68 1.0 40.802 15.937002 52.28 1 1947 +ATOM C CB ' ' ARG A 1 238 . 238 ARG A CB 25.1 1.0 40.61 13.372002 54.284004 1 1948 +ATOM C CG ' ' ARG A 1 238 . 238 ARG A CG 28.82 1.0 39.604 13.082001 53.100998 1 1949 +ATOM C CD ' ' ARG A 1 238 . 238 ARG A CD 29.62 1.0 38.607998 11.984001 53.502 1 1950 +ATOM N NE ' ' ARG A 1 238 . 238 ARG A NE 27.35 1.0 37.714 11.541002 52.434 1 1951 +ATOM C CZ ' ' ARG A 1 238 . 238 ARG A CZ 29.11 1.0 36.797 10.600002 52.598 1 1952 +ATOM N NH1 ' ' ARG A 1 238 . 238 ARG A NH1 35.4 1.0 36.695 9.931002 53.732002 1 1953 +ATOM N NH2 ' ' ARG A 1 238 . 238 ARG A NH2 32.39 1.0 35.929 10.365002 51.622 1 1954 +ATOM N N ' ' LEU A 1 239 . 239 LEU A N 20.39 1.0 40.628 16.513002 54.46 1 1955 +ATOM C CA ' ' LEU A 1 239 . 239 LEU A CA 20.6 1.0 40.038998 17.821001 54.142998 1 1956 +ATOM C C ' ' LEU A 1 239 . 239 LEU A C 22.46 1.0 41.072998 18.743002 53.514 1 1957 +ATOM O O ' ' LEU A 1 239 . 239 LEU A O 19.01 1.0 40.783 19.457 52.543 1 1958 +ATOM C CB ' ' LEU A 1 239 . 239 LEU A CB 20.2 1.0 39.439 18.422 55.419 1 1959 +ATOM C CG ' ' LEU A 1 239 . 239 LEU A CG 20.67 1.0 38.947 19.868002 55.294 1 1960 +ATOM C CD1 ' ' LEU A 1 239 . 239 LEU A CD1 21.49 1.0 37.658 19.923 54.406 1 1961 +ATOM C CD2 ' ' LEU A 1 239 . 239 LEU A CD2 24.83 1.0 38.679 20.448002 56.622 1 1962 +ATOM N N ' ' LEU A 1 240 . 240 LEU A N 18.12 1.0 42.278 18.810001 54.075005 1 1963 +ATOM C CA ' ' LEU A 1 240 . 240 LEU A CA 19.03 1.0 43.309 19.655003 53.461998 1 1964 +ATOM C C ' ' LEU A 1 240 . 240 LEU A C 21.99 1.0 43.62 19.222 52.041 1 1965 +ATOM O O ' ' LEU A 1 240 . 240 LEU A O 21.13 1.0 43.821 20.077002 51.178 1 1966 +ATOM C CB ' ' LEU A 1 240 . 240 LEU A CB 23.17 1.0 44.599 19.633001 54.299004 1 1967 +ATOM C CG ' ' LEU A 1 240 . 240 LEU A CG 29.83 1.0 44.339 20.169003 55.711 1 1968 +ATOM C CD1 ' ' LEU A 1 240 . 240 LEU A CD1 36.59 1.0 45.604 19.938002 56.592003 1 1969 +ATOM C CD2 ' ' LEU A 1 240 . 240 LEU A CD2 32.49 1.0 44.003 21.668001 55.719 1 1970 +ATOM N N ' ' ASN A 1 241 . 241 ASN A N 20.04 1.0 43.708 17.905 51.777 1 1971 +ATOM C CA ' ' ASN A 1 241 . 241 ASN A CA 18.9 1.0 43.975 17.453001 50.424004 1 1972 +ATOM C C ' ' ASN A 1 241 . 241 ASN A C 17.47 1.0 42.835 17.849 49.501 1 1973 +ATOM O O ' ' ASN A 1 241 . 241 ASN A O 18.16 1.0 43.072 18.119001 48.326004 1 1974 +ATOM C CB ' ' ASN A 1 241 . 241 ASN A CB 24.53 1.0 44.14 15.925001 50.344 1 1975 +ATOM C CG ' ' ASN A 1 241 . 241 ASN A CG 38.09 1.0 45.51 15.4660015 50.823997 1 1976 +ATOM O OD1 ' ' ASN A 1 241 . 241 ASN A OD1 38.31 1.0 46.399998 16.289001 50.996002 1 1977 +ATOM N ND2 ' ' ASN A 1 241 . 241 ASN A ND2 36.06 1.0 45.693 14.155001 50.985 1 1978 +ATOM N N ' ' HIS A 1 242 . 242 HIS A N 18.31 1.0 41.586998 17.824001 50.016 1 1979 +ATOM C CA ' ' HIS A 1 242 . 242 HIS A CA 17.24 1.0 40.454998 18.209002 49.161003 1 1980 +ATOM C C ' ' HIS A 1 242 . 242 HIS A C 16.73 1.0 40.555 19.698002 48.817 1 1981 +ATOM O O ' ' HIS A 1 242 . 242 HIS A O 17.12 1.0 40.263 20.109001 47.702003 1 1982 +ATOM C CB ' ' HIS A 1 242 . 242 HIS A CB 15.77 1.0 39.149 17.908 49.902 1 1983 +ATOM C CG ' ' HIS A 1 242 . 242 HIS A CG 18.6 1.0 37.918 18.235 49.101997 1 1984 +ATOM N ND1 ' ' HIS A 1 242 . 242 HIS A ND1 20.99 1.0 37.492 17.431002 48.078003 1 1985 +ATOM C CD2 ' ' HIS A 1 242 . 242 HIS A CD2 20.54 1.0 37.086 19.316002 49.104004 1 1986 +ATOM C CE1 ' ' HIS A 1 242 . 242 HIS A CE1 19.93 1.0 36.431 17.981 47.466003 1 1987 +ATOM N NE2 ' ' HIS A 1 242 . 242 HIS A NE2 19.29 1.0 36.161 19.129002 48.073997 1 1988 +ATOM N N ' ' TYR A 1 243 . 243 TYR A N 16.09 1.0 40.884 20.521002 49.797005 1 1989 +ATOM C CA ' ' TYR A 1 243 . 243 TYR A CA 17.62 1.0 41.075 21.962002 49.543 1 1990 +ATOM C C ' ' TYR A 1 243 . 243 TYR A C 20.4 1.0 42.119 22.174002 48.462997 1 1991 +ATOM O O ' ' TYR A 1 243 . 243 TYR A O 16.52 1.0 41.958 23.012001 47.565002 1 1992 +ATOM C CB ' ' TYR A 1 243 . 243 TYR A CB 15.32 1.0 41.518997 22.684002 50.843002 1 1993 +ATOM C CG ' ' TYR A 1 243 . 243 TYR A CG 15.74 1.0 40.363 23.414001 51.541 1 1994 +ATOM C CD1 ' ' TYR A 1 243 . 243 TYR A CD1 15.62 1.0 39.321 22.696001 52.072 1 1995 +ATOM C CD2 ' ' TYR A 1 243 . 243 TYR A CD2 16.33 1.0 40.322998 24.807001 51.608 1 1996 +ATOM C CE1 ' ' TYR A 1 243 . 243 TYR A CE1 14.83 1.0 38.214 23.356003 52.652 1 1997 +ATOM C CE2 ' ' TYR A 1 243 . 243 TYR A CE2 17.88 1.0 39.247997 25.480001 52.212997 1 1998 +ATOM C CZ ' ' TYR A 1 243 . 243 TYR A CZ 17.05 1.0 38.217 24.735 52.737 1 1999 +ATOM O OH ' ' TYR A 1 243 . 243 TYR A OH 18.14 1.0 37.11 25.342003 53.29 1 2000 +ATOM N N ' ' VAL A 1 244 . 244 VAL A N 18.58 1.0 43.243 21.448002 48.572 1 2001 +ATOM C CA ' ' VAL A 1 244 . 244 VAL A CA 18.86 1.0 44.315 21.618002 47.576004 1 2002 +ATOM C C ' ' VAL A 1 244 . 244 VAL A C 20.45 1.0 43.862 21.125002 46.215004 1 2003 +ATOM O O ' ' VAL A 1 244 . 244 VAL A O 19.83 1.0 44.141 21.758001 45.188004 1 2004 +ATOM C CB ' ' VAL A 1 244 . 244 VAL A CB 22.32 1.0 45.593 20.882002 48.059998 1 2005 +ATOM C CG1 ' ' VAL A 1 244 . 244 VAL A CG1 23.71 1.0 46.611 20.77 46.897003 1 2006 +ATOM C CG2 ' ' VAL A 1 244 . 244 VAL A CG2 19.85 1.0 46.169 21.652 49.262 1 2007 +ATOM N N ' ' SER A 1 245 . 245 SER A N 18.74 1.0 43.156998 19.992 46.178 1 2008 +ATOM C CA ' ' SER A 1 245 . 245 SER A CA 20.42 1.0 42.718998 19.451 44.905 1 2009 +ATOM C C ' ' SER A 1 245 . 245 SER A C 20.34 1.0 41.76 20.408 44.208 1 2010 +ATOM O O ' ' SER A 1 245 . 245 SER A O 20.64 1.0 41.767 20.506 42.969 1 2011 +ATOM C CB A SER A 1 245 . 245 SER A CB 23.2 0.5 42.079998 18.087002 45.101997 1 2012 +ATOM O OG A SER A 1 245 . 245 SER A OG 24.61 0.5 41.665 17.608002 43.847 1 2013 +ATOM C CB B SER A 1 245 . 245 SER A CB 23.2 0.5 42.071 18.068 45.106003 1 2014 +ATOM O OG B SER A 1 245 . 245 SER A OG 21.66 0.5 40.724 18.115002 45.600998 1 2015 +ATOM N N ' ' VAL A 1 246 . 246 VAL A N 15.39 1.0 40.868 21.052002 44.97 1 2016 +ATOM C CA ' ' VAL A 1 246 . 246 VAL A CA 16.38 1.0 39.94 22.047 44.349 1 2017 +ATOM C C ' ' VAL A 1 246 . 246 VAL A C 14.97 1.0 40.733997 23.280003 43.876 1 2018 +ATOM O O ' ' VAL A 1 246 . 246 VAL A O 18.59 1.0 40.503998 23.810001 42.779 1 2019 +ATOM C CB ' ' VAL A 1 246 . 246 VAL A CB 17.27 1.0 38.843 22.465 45.35 1 2020 +ATOM C CG1 ' ' VAL A 1 246 . 246 VAL A CG1 14.94 1.0 37.947 23.679 44.778 1 2021 +ATOM C CG2 ' ' VAL A 1 246 . 246 VAL A CG2 15.35 1.0 37.927998 21.260002 45.681 1 2022 +ATOM N N ' ' ALA A 1 247 . 247 ALA A N 14.9 1.0 41.68 23.743002 44.691 1 2023 +ATOM C CA ' ' ALA A 1 247 . 247 ALA A CA 17.5 1.0 42.458 24.93 44.336998 1 2024 +ATOM C C ' ' ALA A 1 247 . 247 ALA A C 21.42 1.0 43.295998 24.686 43.098 1 2025 +ATOM O O ' ' ALA A 1 247 . 247 ALA A O 21.06 1.0 43.445 25.592003 42.256004 1 2026 +ATOM C CB ' ' ALA A 1 247 . 247 ALA A CB 19.54 1.0 43.36 25.358002 45.512 1 2027 +ATOM N N ' ' LYS A 1 248 . 248 LYS A N 18.44 1.0 43.760998 23.447002 42.913002 1 2028 +ATOM C CA ' ' LYS A 1 248 . 248 LYS A CA 20.27 1.0 44.531998 23.088001 41.719 1 2029 +ATOM C C ' ' LYS A 1 248 . 248 LYS A C 20.5 1.0 43.652 22.749 40.54 1 2030 +ATOM O O ' ' LYS A 1 248 . 248 LYS A O 23.76 1.0 44.170998 22.640001 39.424004 1 2031 +ATOM C CB ' ' LYS A 1 248 . 248 LYS A CB 20.33 1.0 45.432 21.867 41.962997 1 2032 +ATOM C CG ' ' LYS A 1 248 . 248 LYS A CG 24.77 1.0 46.635998 22.236 42.925003 1 2033 +ATOM C CD ' ' LYS A 1 248 . 248 LYS A CD 34.5 1.0 47.46 20.974003 43.200005 1 2034 +ATOM C CE ' ' LYS A 1 248 . 248 LYS A CE 43.84 1.0 48.696 21.395 44.035004 1 2035 +ATOM N NZ ' ' LYS A 1 248 . 248 LYS A NZ 65.98 1.0 49.584 20.254002 44.442 1 2036 +ATOM N N ' ' GLY A 1 249 . 249 GLY A N 19.87 1.0 42.36 22.495003 40.755005 1 2037 +ATOM C CA ' ' GLY A 1 249 . 249 GLY A CA 17.14 1.0 41.524 22.132002 39.631004 1 2038 +ATOM C C ' ' GLY A 1 249 . 249 GLY A C 21.68 1.0 41.785 20.722 39.148003 1 2039 +ATOM O O ' ' GLY A 1 249 . 249 GLY A O 22.0 1.0 41.624 20.446001 37.962997 1 2040 +ATOM N N ' ' ASP A 1 250 . 250 ASP A N 21.48 1.0 42.108997 19.791 40.037003 1 2041 +ATOM C CA ' ' ASP A 1 250 . 250 ASP A CA 22.47 1.0 42.266 18.394001 39.601997 1 2042 +ATOM C C ' ' ASP A 1 250 . 250 ASP A C 22.39 1.0 40.982 17.839 38.969 1 2043 +ATOM O O ' ' ASP A 1 250 . 250 ASP A O 21.78 1.0 39.918 17.858002 39.614 1 2044 +ATOM C CB ' ' ASP A 1 250 . 250 ASP A CB 24.83 1.0 42.604 17.481 40.759003 1 2045 +ATOM C CG ' ' ASP A 1 250 . 250 ASP A CG 35.43 1.0 43.995 17.694002 41.253998 1 2046 +ATOM O OD1 ' ' ASP A 1 250 . 250 ASP A OD1 31.49 1.0 44.781 18.400002 40.581 1 2047 +ATOM O OD2 ' ' ASP A 1 250 . 250 ASP A OD2 31.89 1.0 44.271 17.191002 42.340004 1 2048 +ATOM N N ' ' PRO A 1 251 . 251 PRO A N 25.92 1.0 41.04 17.306002 37.748 1 2049 +ATOM C CA ' ' PRO A 1 251 . 251 PRO A CA 21.82 1.0 39.795 16.967001 37.036003 1 2050 +ATOM C C ' ' PRO A 1 251 . 251 PRO A C 26.34 1.0 39.294 15.558001 37.316 1 2051 +ATOM O O ' ' PRO A 1 251 . 251 PRO A O 29.02 1.0 40.049 14.648001 37.672005 1 2052 +ATOM C CB ' ' PRO A 1 251 . 251 PRO A CB 28.14 1.0 40.177 17.111002 35.555 1 2053 +ATOM C CG ' ' PRO A 1 251 . 251 PRO A CG 30.95 1.0 41.592 16.729002 35.525 1 2054 +ATOM C CD ' ' PRO A 1 251 . 251 PRO A CD 27.33 1.0 42.181 17.371002 36.814003 1 2055 +ATOM N N ' ' LYS A 1 252 . 252 LYS A N 26.77 1.0 37.973 15.427002 37.22 1 2056 +ATOM C CA ' ' LYS A 1 252 . 252 LYS A CA 30.43 1.0 37.291 14.152002 37.270004 1 2057 +ATOM C C ' ' LYS A 1 252 . 252 LYS A C 30.51 1.0 37.119 13.650002 35.826004 1 2058 +ATOM O O ' ' LYS A 1 252 . 252 LYS A O 23.66 1.0 36.538998 14.3480015 34.972 1 2059 +ATOM C CB ' ' LYS A 1 252 . 252 LYS A CB 30.53 1.0 35.957 14.337002 37.993004 1 2060 +ATOM C CG ' ' LYS A 1 252 . 252 LYS A CG 37.7 1.0 34.985 13.173002 37.920998 1 2061 +ATOM C CD ' ' LYS A 1 252 . 252 LYS A CD 44.56 1.0 33.830997 13.442001 38.9 1 2062 +ATOM C CE ' ' LYS A 1 252 . 252 LYS A CE 55.24 1.0 32.628998 12.580002 38.618004 1 2063 +ATOM N NZ ' ' LYS A 1 252 . 252 LYS A NZ 71.17 1.0 33.001 11.138002 38.550003 1 2064 +ATOM N N ' ' LYS A 1 253 . 253 LYS A N 30.77 1.0 37.669 12.460001 35.531 1 2065 +ATOM C CA ' ' LYS A 1 253 . 253 LYS A CA 33.5 1.0 37.642 11.957001 34.145004 1 2066 +ATOM C C ' ' LYS A 1 253 . 253 LYS A C 23.36 1.0 36.222 11.951002 33.596 1 2067 +ATOM O O ' ' LYS A 1 253 . 253 LYS A O 29.82 1.0 35.273 11.553001 34.278 1 2068 +ATOM C CB ' ' LYS A 1 253 . 253 LYS A CB 32.83 1.0 38.216 10.533001 34.043 1 2069 +ATOM N N ' ' GLY A 1 254 . 254 GLY A N 26.51 1.0 36.091 12.395002 32.350998 1 2070 +ATOM C CA ' ' GLY A 1 254 . 254 GLY A CA 28.96 1.0 34.822998 12.423002 31.654999 1 2071 +ATOM C C ' ' GLY A 1 254 . 254 GLY A C 28.82 1.0 33.905 13.590002 32.003 1 2072 +ATOM O O ' ' GLY A 1 254 . 254 GLY A O 26.38 1.0 32.877 13.746002 31.351997 1 2073 +ATOM N N ' ' LYS A 1 255 . 255 LYS A N 25.43 1.0 34.222 14.406002 33.035004 1 2074 +ATOM C CA ' ' LYS A 1 255 . 255 LYS A CA 23.76 1.0 33.315998 15.496002 33.416 1 2075 +ATOM C C ' ' LYS A 1 255 . 255 LYS A C 25.3 1.0 33.497997 16.684002 32.489 1 2076 +ATOM O O ' ' LYS A 1 255 . 255 LYS A O 21.18 1.0 34.604 17.204002 32.343002 1 2077 +ATOM C CB ' ' LYS A 1 255 . 255 LYS A CB 20.75 1.0 33.548 15.921001 34.868004 1 2078 +ATOM C CG ' ' LYS A 1 255 . 255 LYS A CG 21.32 1.0 32.559998 17.005001 35.275 1 2079 +ATOM C CD ' ' LYS A 1 255 . 255 LYS A CD 27.23 1.0 32.642 17.229002 36.755005 1 2080 +ATOM C CE ' ' LYS A 1 255 . 255 LYS A CE 19.95 1.0 31.702 18.322002 37.156998 1 2081 +ATOM N NZ ' ' LYS A 1 255 . 255 LYS A NZ 25.0 1.0 31.690998 18.425001 38.64 1 2082 +ATOM N N ' ' VAL A 1 256 . 256 VAL A N 22.5 1.0 32.424 17.105001 31.813004 1 2083 +ATOM C CA ' ' VAL A 1 256 . 256 VAL A CA 20.93 1.0 32.451 18.316002 31.023003 1 2084 +ATOM C C ' ' VAL A 1 256 . 256 VAL A C 25.59 1.0 31.273998 19.160002 31.476997 1 2085 +ATOM O O ' ' VAL A 1 256 . 256 VAL A O 23.72 1.0 30.147999 18.670002 31.497002 1 2086 +ATOM C CB ' ' VAL A 1 256 . 256 VAL A CB 20.83 1.0 32.353 18.042002 29.502998 1 2087 +ATOM C CG1 ' ' VAL A 1 256 . 256 VAL A CG1 21.44 1.0 32.222 19.388 28.704002 1 2088 +ATOM C CG2 ' ' VAL A 1 256 . 256 VAL A CG2 24.94 1.0 33.599 17.252 29.045998 1 2089 +ATOM N N ' ' THR A 1 257 . 257 THR A N 19.52 1.0 31.515999 20.425001 31.823997 1 2090 +ATOM C CA ' ' THR A 1 257 . 257 THR A CA 16.53 1.0 30.411 21.307001 32.229004 1 2091 +ATOM C C ' ' THR A 1 257 . 257 THR A C 17.82 1.0 30.008 22.217003 31.077003 1 2092 +ATOM O O ' ' THR A 1 257 . 257 THR A O 19.77 1.0 30.863998 22.877003 30.461998 1 2093 +ATOM C CB ' ' THR A 1 257 . 257 THR A CB 20.04 1.0 30.849998 22.117 33.446 1 2094 +ATOM O OG1 ' ' THR A 1 257 . 257 THR A OG1 22.45 1.0 31.004997 21.190002 34.528 1 2095 +ATOM C CG2 ' ' THR A 1 257 . 257 THR A CG2 19.14 1.0 29.75 23.163002 33.822998 1 2096 +ATOM N N ' ' VAL A 1 258 . 258 VAL A N 15.57 1.0 28.71 22.209002 30.745003 1 2097 +ATOM C CA ' ' VAL A 1 258 . 258 VAL A CA 18.7 1.0 28.156998 22.875002 29.577003 1 2098 +ATOM C C ' ' VAL A 1 258 . 258 VAL A C 18.99 1.0 27.283 24.006 30.098 1 2099 +ATOM O O ' ' VAL A 1 258 . 258 VAL A O 20.03 1.0 26.333 23.754002 30.841003 1 2100 +ATOM C CB ' ' VAL A 1 258 . 258 VAL A CB 17.26 1.0 27.330997 21.910002 28.716003 1 2101 +ATOM C CG1 ' ' VAL A 1 258 . 258 VAL A CG1 18.24 1.0 26.812 22.625002 27.462997 1 2102 +ATOM C CG2 ' ' VAL A 1 258 . 258 VAL A CG2 20.95 1.0 28.186 20.641003 28.323997 1 2103 +ATOM N N ' ' ILE A 1 259 . 259 ILE A N 16.67 1.0 27.566998 25.238003 29.691002 1 2104 +ATOM C CA ' ' ILE A 1 259 . 259 ILE A CA 16.17 1.0 26.871998 26.399002 30.246002 1 2105 +ATOM C C ' ' ILE A 1 259 . 259 ILE A C 16.76 1.0 26.386997 27.239002 29.086998 1 2106 +ATOM O O ' ' ILE A 1 259 . 259 ILE A O 20.0 1.0 27.202 27.671001 28.261002 1 2107 +ATOM C CB ' ' ILE A 1 259 . 259 ILE A CB 15.55 1.0 27.801998 27.241001 31.14 1 2108 +ATOM C CG1 ' ' ILE A 1 259 . 259 ILE A CG1 16.49 1.0 28.335999 26.408 32.28 1 2109 +ATOM C CG2 ' ' ILE A 1 259 . 259 ILE A CG2 16.89 1.0 27.084 28.573002 31.556 1 2110 +ATOM C CD1 ' ' ILE A 1 259 . 259 ILE A CD1 17.0 1.0 29.723 26.95 32.817 1 2111 +ATOM N N ' ' TYR A 1 260 . 260 TYR A N 15.82 1.0 25.084 27.470001 28.999 1 2112 +ATOM C CA ' ' TYR A 1 260 . 260 TYR A CA 16.05 1.0 24.596 28.230001 27.821 1 2113 +ATOM C C ' ' TYR A 1 260 . 260 TYR A C 19.22 1.0 23.303001 28.960001 28.122002 1 2114 +ATOM O O ' ' TYR A 1 260 . 260 TYR A O 18.95 1.0 22.592 28.657001 29.098 1 2115 +ATOM C CB ' ' TYR A 1 260 . 260 TYR A CB 17.63 1.0 24.372002 27.358002 26.57 1 2116 +ATOM C CG ' ' TYR A 1 260 . 260 TYR A CG 16.46 1.0 23.332 26.302002 26.714005 1 2117 +ATOM C CD1 ' ' TYR A 1 260 . 260 TYR A CD1 22.76 1.0 23.636002 25.053001 27.275002 1 2118 +ATOM C CD2 ' ' TYR A 1 260 . 260 TYR A CD2 18.28 1.0 22.059002 26.503002 26.169998 1 2119 +ATOM C CE1 ' ' TYR A 1 260 . 260 TYR A CE1 24.67 1.0 22.691002 24.047 27.354004 1 2120 +ATOM C CE2 ' ' TYR A 1 260 . 260 TYR A CE2 24.44 1.0 21.111 25.453001 26.210999 1 2121 +ATOM C CZ ' ' TYR A 1 260 . 260 TYR A CZ 28.72 1.0 21.455002 24.242 26.766998 1 2122 +ATOM O OH ' ' TYR A 1 260 . 260 TYR A OH 29.99 1.0 20.536999 23.236 26.862999 1 2123 +ATOM N N ' ' ASP A 1 261 . 261 ASP A N 18.67 1.0 23.036 29.964 27.285004 1 2124 +ATOM C CA ' ' ASP A 1 261 . 261 ASP A CA 19.67 1.0 21.764 30.653002 27.295998 1 2125 +ATOM C C ' ' ASP A 1 261 . 261 ASP A C 22.26 1.0 21.106998 30.398003 25.951004 1 2126 +ATOM O O ' ' ASP A 1 261 . 261 ASP A O 20.92 1.0 21.775002 30.261002 24.922005 1 2127 +ATOM C CB ' ' ASP A 1 261 . 261 ASP A CB 22.75 1.0 21.922 32.162003 27.573997 1 2128 +ATOM C CG ' ' ASP A 1 261 . 261 ASP A CG 31.88 1.0 22.844002 32.890003 26.508003 1 2129 +ATOM O OD1 ' ' ASP A 1 261 . 261 ASP A OD1 44.28 1.0 23.501 32.295002 25.654 1 2130 +ATOM O OD2 ' ' ASP A 1 261 . 261 ASP A OD2 39.22 1.0 22.997002 34.074 26.637001 1 2131 +ATOM N N ' ' SER A 1 262 . 262 SER A N 19.03 1.0 19.823002 30.241001 25.987 1 2132 +ATOM C CA ' ' SER A 1 262 . 262 SER A CA 20.0 1.0 19.049 30.010002 24.759003 1 2133 +ATOM C C ' ' SER A 1 262 . 262 SER A C 26.15 1.0 17.856998 30.928001 24.843002 1 2134 +ATOM O O ' ' SER A 1 262 . 262 SER A O 21.22 1.0 16.934002 30.660002 25.616005 1 2135 +ATOM C CB ' ' SER A 1 262 . 262 SER A CB 22.48 1.0 18.611 28.550001 24.642998 1 2136 +ATOM O OG ' ' SER A 1 262 . 262 SER A OG 26.29 1.0 17.932999 28.260002 23.376 1 2137 +HETATM N N ' ' MSE A 1 263 . 263 MSE A N 28.89 1.0 17.882 31.993002 24.043 1 2138 +HETATM C CA ' ' MSE A 1 263 . 263 MSE A CA 39.53 1.0 16.796001 32.971 23.995003 1 2139 +HETATM C C ' ' MSE A 1 263 . 263 MSE A C 36.21 1.0 15.574 32.444 23.271 1 2140 +HETATM O O ' ' MSE A 1 263 . 263 MSE A O 42.24 1.0 14.47 32.596 23.756 1 2141 +HETATM C CB ' ' MSE A 1 263 . 263 MSE A CB 37.17 1.0 17.298 34.264 23.344002 1 2142 +HETATM C CG ' ' MSE A 1 263 . 263 MSE A CG 33.83 1.0 18.136002 35.050003 24.296001 1 2143 +HETATM Se SE ' ' MSE A 1 263 . 263 MSE A SE 56.74 1.0 19.081001 36.651 23.651001 1 2144 +HETATM C CE ' ' MSE A 1 263 . 263 MSE A CE 38.97 1.0 17.36 37.509003 23.594002 1 2145 +ATOM N N ' ' TYR A 1 264 . 264 TYR A N 27.59 1.0 15.758 31.77 22.117 1 2146 +ATOM C CA ' ' TYR A 1 264 . 264 TYR A CA 33.94 1.0 14.651 31.346 21.302002 1 2147 +ATOM C C ' ' TYR A 1 264 . 264 TYR A C 33.14 1.0 14.693 29.876001 20.949001 1 2148 +ATOM O O ' ' TYR A 1 264 . 264 TYR A O 38.58 1.0 13.81 29.412003 20.238003 1 2149 +ATOM C CB ' ' TYR A 1 264 . 264 TYR A CB 30.43 1.0 14.626 32.18 19.997002 1 2150 +ATOM C CG ' ' TYR A 1 264 . 264 TYR A CG 30.97 1.0 14.922 33.669003 20.232002 1 2151 +ATOM C CD1 ' ' TYR A 1 264 . 264 TYR A CD1 31.51 1.0 13.991 34.496002 20.872002 1 2152 +ATOM C CD2 ' ' TYR A 1 264 . 264 TYR A CD2 34.17 1.0 16.095001 34.247 19.761002 1 2153 +ATOM C CE1 ' ' TYR A 1 264 . 264 TYR A CE1 29.74 1.0 14.219001 35.833 21.07 1 2154 +ATOM C CE2 ' ' TYR A 1 264 . 264 TYR A CE2 39.51 1.0 16.369999 35.602 19.973 1 2155 +ATOM C CZ ' ' TYR A 1 264 . 264 TYR A CZ 48.72 1.0 15.432 36.4 20.623001 1 2156 +ATOM O OH ' ' TYR A 1 264 . 264 TYR A OH 36.97 1.0 15.731999 37.751 20.816002 1 2157 +ATOM N N ' ' GLY A 1 265 . 265 GLY A N 31.51 1.0 15.728 29.132002 21.358002 1 2158 +ATOM C CA ' ' GLY A 1 265 . 265 GLY A CA 27.0 1.0 15.809001 27.717001 21.02 1 2159 +ATOM C C ' ' GLY A 1 265 . 265 GLY A C 29.45 1.0 16.842999 27.36 19.978 1 2160 +ATOM O O ' ' GLY A 1 265 . 265 GLY A O 29.76 1.0 17.102001 26.163002 19.766003 1 2161 +ATOM N N ' ' PHE A 1 266 . 266 PHE A N 24.61 1.0 17.466 28.347002 19.336002 1 2162 +ATOM C CA ' ' PHE A 1 266 . 266 PHE A CA 25.43 1.0 18.527 28.019001 18.388 1 2163 +ATOM C C ' ' PHE A 1 266 . 266 PHE A C 22.72 1.0 19.779999 27.528002 19.095001 1 2164 +ATOM O O ' ' PHE A 1 266 . 266 PHE A O 26.96 1.0 20.416 26.562 18.654 1 2165 +ATOM C CB ' ' PHE A 1 266 . 266 PHE A CB 22.78 1.0 18.830002 29.231 17.532001 1 2166 +ATOM C CG ' ' PHE A 1 266 . 266 PHE A CG 28.8 1.0 17.669998 29.559002 16.597 1 2167 +ATOM C CD1 ' ' PHE A 1 266 . 266 PHE A CD1 30.13 1.0 17.467999 28.798 15.445 1 2168 +ATOM C CD2 ' ' PHE A 1 266 . 266 PHE A CD2 30.07 1.0 16.754002 30.573002 16.916 1 2169 +ATOM C CE1 ' ' PHE A 1 266 . 266 PHE A CE1 38.11 1.0 16.369 29.069002 14.604 1 2170 +ATOM C CE2 ' ' PHE A 1 266 . 266 PHE A CE2 32.64 1.0 15.636001 30.840002 16.077 1 2171 +ATOM C CZ ' ' PHE A 1 266 . 266 PHE A CZ 34.05 1.0 15.467999 30.093002 14.9260025 1 2172 +ATOM N N ' ' VAL A 1 267 . 267 VAL A N 22.51 1.0 20.178001 28.195002 20.171001 1 2173 +ATOM C CA ' ' VAL A 1 267 . 267 VAL A CA 18.77 1.0 21.317001 27.687 20.924 1 2174 +ATOM C C ' ' VAL A 1 267 . 267 VAL A C 23.16 1.0 20.997002 26.311 21.479 1 2175 +ATOM O O ' ' VAL A 1 267 . 267 VAL A O 22.42 1.0 21.830002 25.377003 21.438 1 2176 +ATOM C CB ' ' VAL A 1 267 . 267 VAL A CB 18.46 1.0 21.702 28.676003 22.047 1 2177 +ATOM C CG1 ' ' VAL A 1 267 . 267 VAL A CG1 19.46 1.0 22.884998 28.090002 22.945 1 2178 +ATOM C CG2 ' ' VAL A 1 267 . 267 VAL A CG2 21.79 1.0 22.126 29.996002 21.446003 1 2179 +ATOM N N ' ' GLU A 1 268 . 268 GLU A N 23.4 1.0 19.809002 26.188002 22.088001 1 2180 +ATOM C CA ' ' GLU A 1 268 . 268 GLU A CA 26.52 1.0 19.355999 24.914001 22.647 1 2181 +ATOM C C ' ' GLU A 1 268 . 268 GLU A C 29.86 1.0 19.530998 23.794003 21.638 1 2182 +ATOM O O ' ' GLU A 1 268 . 268 GLU A O 27.47 1.0 19.999 22.697002 21.983002 1 2183 +ATOM C CB ' ' GLU A 1 268 . 268 GLU A CB 29.64 1.0 17.872002 25.011002 23.064003 1 2184 +ATOM C CG ' ' GLU A 1 268 . 268 GLU A CG 31.08 1.0 17.207 23.624 23.378002 1 2185 +ATOM C CD ' ' GLU A 1 268 . 268 GLU A CD 43.51 1.0 17.875 22.907001 24.538002 1 2186 +ATOM O OE1 ' ' GLU A 1 268 . 268 GLU A OE1 46.37 1.0 18.404999 23.615002 25.402 1 2187 +ATOM O OE2 ' ' GLU A 1 268 . 268 GLU A OE2 49.03 1.0 17.874 21.645 24.621002 1 2188 +ATOM N N ' ' ASN A 1 269 . 269 ASN A N 27.63 1.0 19.133999 24.053001 20.382 1 2189 +ATOM C CA ' ' ASN A 1 269 . 269 ASN A CA 30.63 1.0 19.151001 22.985 19.394001 1 2190 +ATOM C C ' ' ASN A 1 269 . 269 ASN A C 30.36 1.0 20.560001 22.478 19.175003 1 2191 +ATOM O O ' ' ASN A 1 269 . 269 ASN A O 29.32 1.0 20.803001 21.263 19.161 1 2192 +ATOM C CB A ASN A 1 269 . 269 ASN A CB 30.87 0.5 18.529 23.431002 18.075 1 2193 +ATOM C CG A ASN A 1 269 . 269 ASN A CG 31.54 0.5 18.605999 22.339 17.034 1 2194 +ATOM O OD1 A ASN A 1 269 . 269 ASN A OD1 36.17 0.5 19.588001 22.246002 16.295002 1 2195 +ATOM N ND2 A ASN A 1 269 . 269 ASN A ND2 35.24 0.5 17.596 21.475002 17.0 1 2196 +ATOM C CB B ASN A 1 269 . 269 ASN A CB 30.86 0.5 18.549 23.498001 18.082 1 2197 +ATOM C CG B ASN A 1 269 . 269 ASN A CG 34.71 0.5 17.057999 23.503002 18.118 1 2198 +ATOM O OD1 B ASN A 1 269 . 269 ASN A OD1 39.03 0.5 16.469002 22.732002 18.876 1 2199 +ATOM N ND2 B ASN A 1 269 . 269 ASN A ND2 34.88 0.5 16.418 24.361 17.300003 1 2200 +ATOM N N ' ' VAL A 1 270 . 270 VAL A N 23.1 1.0 21.501 23.408 19.004002 1 2201 +ATOM C CA ' ' VAL A 1 270 . 270 VAL A CA 28.16 1.0 22.897 23.054 18.84 1 2202 +ATOM C C ' ' VAL A 1 270 . 270 VAL A C 28.79 1.0 23.463001 22.412003 20.115002 1 2203 +ATOM O O ' ' VAL A 1 270 . 270 VAL A O 26.63 1.0 24.217 21.427002 20.054 1 2204 +ATOM C CB ' ' VAL A 1 270 . 270 VAL A CB 29.04 1.0 23.675 24.322002 18.446003 1 2205 +ATOM C CG1 ' ' VAL A 1 270 . 270 VAL A CG1 29.04 1.0 25.211998 24.092003 18.625 1 2206 +ATOM C CG2 ' ' VAL A 1 270 . 270 VAL A CG2 35.22 1.0 23.272999 24.757002 17.016003 1 2207 +HETATM N N ' ' MSE A 1 271 . 271 MSE A N 23.85 1.0 23.146 22.968002 21.289001 1 2208 +HETATM C CA ' ' MSE A 1 271 . 271 MSE A CA 26.22 1.0 23.743 22.418001 22.501 1 2209 +HETATM C C ' ' MSE A 1 271 . 271 MSE A C 25.89 1.0 23.262001 20.978 22.725002 1 2210 +HETATM O O ' ' MSE A 1 271 . 271 MSE A O 21.69 1.0 23.987999 20.135002 23.23 1 2211 +HETATM C CB ' ' MSE A 1 271 . 271 MSE A CB 21.27 1.0 23.41 23.29 23.725002 1 2212 +HETATM C CG ' ' MSE A 1 271 . 271 MSE A CG 21.48 1.0 23.962002 24.666 23.652 1 2213 +HETATM Se SE ' ' MSE A 1 271 . 271 MSE A SE 38.76 1.0 25.929 24.447002 24.183002 1 2214 +HETATM C CE ' ' MSE A 1 271 . 271 MSE A CE 9.76 1.0 26.202 24.841002 22.436 1 2215 +ATOM N N ' ' LYS A 1 272 . 272 LYS A N 26.7 1.0 22.021 20.701 22.336002 1 2216 +ATOM C CA ' ' LYS A 1 272 . 272 LYS A CA 30.67 1.0 21.488998 19.36 22.52 1 2217 +ATOM C C ' ' LYS A 1 272 . 272 LYS A C 24.64 1.0 22.285 18.357002 21.701 1 2218 +ATOM O O ' ' LYS A 1 272 . 272 LYS A O 28.66 1.0 22.55 17.228 22.156002 1 2219 +ATOM C CB ' ' LYS A 1 272 . 272 LYS A CB 36.6 1.0 20.015 19.298 22.108002 1 2220 +ATOM C CG ' ' LYS A 1 272 . 272 LYS A CG 34.75 1.0 19.487 17.849 22.193 1 2221 +ATOM N N ' ' LYS A 1 273 . 273 LYS A N 28.57 1.0 22.685001 18.760002 20.503002 1 2222 +ATOM C CA ' ' LYS A 1 273 . 273 LYS A CA 28.41 1.0 23.498001 17.899002 19.655003 1 2223 +ATOM C C ' ' LYS A 1 273 . 273 LYS A C 31.69 1.0 24.898998 17.755001 20.221 1 2224 +ATOM O O ' ' LYS A 1 273 . 273 LYS A O 29.81 1.0 25.466 16.658 20.226002 1 2225 +ATOM C CB ' ' LYS A 1 273 . 273 LYS A CB 30.8 1.0 23.539001 18.472002 18.243 1 2226 +ATOM C CG ' ' LYS A 1 273 . 273 LYS A CG 32.47 1.0 22.191002 18.276001 17.43 1 2227 +ATOM C CD ' ' LYS A 1 273 . 273 LYS A CD 44.6 1.0 22.271 19.099 16.153 1 2228 +ATOM C CE ' ' LYS A 1 273 . 273 LYS A CE 56.4 1.0 20.888 19.496002 15.611 1 2229 +ATOM N NZ ' ' LYS A 1 273 . 273 LYS A NZ 52.59 1.0 19.990002 18.337002 15.491001 1 2230 +ATOM N N ' ' ALA A 1 274 . 274 ALA A N 27.41 1.0 25.473999 18.857002 20.703003 1 2231 +ATOM C CA ' ' ALA A 1 274 . 274 ALA A CA 25.71 1.0 26.785 18.794 21.356003 1 2232 +ATOM C C ' ' ALA A 1 274 . 274 ALA A C 25.89 1.0 26.757 17.86 22.547 1 2233 +ATOM O O ' ' ALA A 1 274 . 274 ALA A O 25.93 1.0 27.665 17.019001 22.719002 1 2234 +ATOM C CB ' ' ALA A 1 274 . 274 ALA A CB 26.95 1.0 27.198997 20.197002 21.786 1 2235 +ATOM N N ' ' ILE A 1 275 . 275 ILE A N 22.84 1.0 25.703999 17.951002 23.368 1 2236 +ATOM C CA ' ' ILE A 1 275 . 275 ILE A CA 24.3 1.0 25.624 17.096 24.551003 1 2237 +ATOM C C ' ' ILE A 1 275 . 275 ILE A C 30.06 1.0 25.473 15.633001 24.144001 1 2238 +ATOM O O ' ' ILE A 1 275 . 275 ILE A O 26.41 1.0 26.136997 14.753002 24.700005 1 2239 +ATOM C CB ' ' ILE A 1 275 . 275 ILE A CB 22.74 1.0 24.471 17.554 25.450005 1 2240 +ATOM C CG1 ' ' ILE A 1 275 . 275 ILE A CG1 26.36 1.0 24.827 18.941002 26.075005 1 2241 +ATOM C CG2 ' ' ILE A 1 275 . 275 ILE A CG2 28.21 1.0 24.196 16.489002 26.510002 1 2242 +ATOM C CD1 ' ' ILE A 1 275 . 275 ILE A CD1 26.97 1.0 23.625 19.732002 26.651001 1 2243 +ATOM N N ' ' ASP A 1 276 . 276 ASP A N 25.09 1.0 24.588001 15.3410015 23.172 1 2244 +ATOM C CA ' ' ASP A 1 276 . 276 ASP A CA 29.32 1.0 24.459 13.944002 22.734001 1 2245 +ATOM C C ' ' ASP A 1 276 . 276 ASP A C 28.6 1.0 25.767998 13.426001 22.155003 1 2246 +ATOM O O ' ' ASP A 1 276 . 276 ASP A O 30.2 1.0 26.161999 12.278002 22.400002 1 2247 +ATOM C CB ' ' ASP A 1 276 . 276 ASP A CB 32.03 1.0 23.323002 13.816002 21.719002 1 2248 +ATOM C CG ' ' ASP A 1 276 . 276 ASP A CG 47.03 1.0 21.953 14.050001 22.359001 1 2249 +ATOM O OD1 ' ' ASP A 1 276 . 276 ASP A OD1 49.06 1.0 21.813 13.814001 23.585003 1 2250 +ATOM O OD2 ' ' ASP A 1 276 . 276 ASP A OD2 45.01 1.0 21.027 14.484001 21.641003 1 2251 +ATOM N N ' ' SER A 1 277 . 277 SER A N 24.34 1.0 26.483997 14.263002 21.424 1 2252 +ATOM C CA ' ' SER A 1 277 . 277 SER A CA 28.35 1.0 27.784 13.838001 20.93 1 2253 +ATOM C C ' ' SER A 1 277 . 277 SER A C 32.51 1.0 28.751 13.499001 22.086002 1 2254 +ATOM O O ' ' SER A 1 277 . 277 SER A O 27.79 1.0 29.439 12.463001 22.069 1 2255 +ATOM C CB ' ' SER A 1 277 . 277 SER A CB 30.95 1.0 28.350998 14.947002 20.061 1 2256 +ATOM O OG ' ' SER A 1 277 . 277 SER A OG 34.23 1.0 29.651001 14.582001 19.637001 1 2257 +ATOM N N ' ' LEU A 1 278 . 278 LEU A N 27.2 1.0 28.783 14.336002 23.121002 1 2258 +ATOM C CA ' ' LEU A 1 278 . 278 LEU A CA 26.65 1.0 29.642998 14.047001 24.262001 1 2259 +ATOM C C ' ' LEU A 1 278 . 278 LEU A C 30.0 1.0 29.243 12.732002 24.912003 1 2260 +ATOM O O ' ' LEU A 1 278 . 278 LEU A O 32.17 1.0 30.101997 11.949001 25.309998 1 2261 +ATOM C CB ' ' LEU A 1 278 . 278 LEU A CB 26.46 1.0 29.554 15.192001 25.300003 1 2262 +ATOM C CG ' ' LEU A 1 278 . 278 LEU A CG 27.81 1.0 30.203999 16.515001 24.995003 1 2263 +ATOM C CD1 ' ' LEU A 1 278 . 278 LEU A CD1 21.93 1.0 29.670998 17.594002 26.001 1 2264 +ATOM C CD2 ' ' LEU A 1 278 . 278 LEU A CD2 29.31 1.0 31.703999 16.260002 25.182 1 2265 +ATOM N N ' ' LYS A 1 279 . 279 LYS A N 29.57 1.0 27.940998 12.486002 25.067001 1 2266 +ATOM C CA ' ' LYS A 1 279 . 279 LYS A CA 32.64 1.0 27.529 11.270002 25.753998 1 2267 +ATOM C C ' ' LYS A 1 279 . 279 LYS A C 40.65 1.0 27.918 10.041002 24.934998 1 2268 +ATOM O O ' ' LYS A 1 279 . 279 LYS A O 38.51 1.0 28.374 9.029001 25.483002 1 2269 +ATOM C CB ' ' LYS A 1 279 . 279 LYS A CB 34.29 1.0 26.027 11.290001 25.996002 1 2270 +ATOM C CG ' ' LYS A 1 279 . 279 LYS A CG 37.14 1.0 25.578 12.174002 27.145004 1 2271 +ATOM C CD ' ' LYS A 1 279 . 279 LYS A CD 37.9 1.0 24.102001 12.397001 26.995003 1 2272 +ATOM C CE ' ' LYS A 1 279 . 279 LYS A CE 48.41 1.0 23.501999 12.908001 28.258003 1 2273 +ATOM N NZ ' ' LYS A 1 279 . 279 LYS A NZ 59.1 1.0 22.029999 13.044001 28.044998 1 2274 +ATOM N N ' ' GLU A 1 280 . 280 GLU A N 34.78 1.0 27.765999 10.1310005 23.618 1 2275 +ATOM C CA ' ' GLU A 1 280 . 280 GLU A CA 36.9 1.0 28.14 9.043001 22.726002 1 2276 +ATOM C C ' ' GLU A 1 280 . 280 GLU A C 47.24 1.0 29.626 8.748001 22.801003 1 2277 +ATOM O O ' ' GLU A 1 280 . 280 GLU A O 45.57 1.0 30.026001 7.614002 22.529 1 2278 +ATOM C CB ' ' GLU A 1 280 . 280 GLU A CB 34.83 1.0 27.717 9.387001 21.294003 1 2279 +ATOM N N ' ' LYS A 1 281 . 281 LYS A N 40.89 1.0 30.448997 9.708002 23.234001 1 2280 +ATOM C CA ' ' LYS A 1 281 . 281 LYS A CA 36.9 1.0 31.888 9.508001 23.272 1 2281 +ATOM C C ' ' LYS A 1 281 . 281 LYS A C 37.34 1.0 32.415 9.207001 24.673004 1 2282 +ATOM O O ' ' LYS A 1 281 . 281 LYS A O 44.41 1.0 33.628 9.268002 24.895004 1 2283 +ATOM C CB ' ' LYS A 1 281 . 281 LYS A CB 37.62 1.0 32.599 10.705002 22.678001 1 2284 +ATOM C CG ' ' LYS A 1 281 . 281 LYS A CG 36.55 1.0 32.357998 10.898001 21.206001 1 2285 +ATOM C CD ' ' LYS A 1 281 . 281 LYS A CD 36.01 1.0 33.1 12.123001 20.762001 1 2286 +ATOM C CE ' ' LYS A 1 281 . 281 LYS A CE 42.19 1.0 32.592 12.629002 19.421001 1 2287 +ATOM N NZ ' ' LYS A 1 281 . 281 LYS A NZ 58.94 1.0 32.938 11.665001 18.355 1 2288 +ATOM N N ' ' GLY A 1 282 . 282 GLY A N 32.01 1.0 31.537998 8.862001 25.618004 1 2289 +ATOM C CA ' ' GLY A 1 282 . 282 GLY A CA 35.5 1.0 31.966 8.422001 26.922005 1 2290 +ATOM C C ' ' GLY A 1 282 . 282 GLY A C 38.28 1.0 31.923 9.492001 27.998001 1 2291 +ATOM O O ' ' GLY A 1 282 . 282 GLY A O 37.21 1.0 32.003 9.148001 29.184998 1 2292 +ATOM N N ' ' PHE A 1 283 . 283 PHE A N 33.78 1.0 31.759998 10.773001 27.623001 1 2293 +ATOM C CA ' ' PHE A 1 283 . 283 PHE A CA 32.74 1.0 31.75 11.834002 28.626 1 2294 +ATOM C C ' ' PHE A 1 283 . 283 PHE A C 32.64 1.0 30.441998 11.870001 29.400002 1 2295 +ATOM O O ' ' PHE A 1 283 . 283 PHE A O 31.54 1.0 29.420998 11.315001 28.982002 1 2296 +ATOM C CB ' ' PHE A 1 283 . 283 PHE A CB 29.32 1.0 31.983997 13.178001 27.962997 1 2297 +ATOM C CG ' ' PHE A 1 283 . 283 PHE A CG 31.81 1.0 33.322 13.302002 27.359001 1 2298 +ATOM C CD1 ' ' PHE A 1 283 . 283 PHE A CD1 33.39 1.0 34.406 13.730001 28.130005 1 2299 +ATOM C CD2 ' ' PHE A 1 283 . 283 PHE A CD2 36.88 1.0 33.524 13.007002 26.015999 1 2300 +ATOM C CE1 ' ' PHE A 1 283 . 283 PHE A CE1 39.36 1.0 35.659 13.864002 27.587997 1 2301 +ATOM C CE2 ' ' PHE A 1 283 . 283 PHE A CE2 39.71 1.0 34.797 13.121002 25.466003 1 2302 +ATOM C CZ ' ' PHE A 1 283 . 283 PHE A CZ 41.26 1.0 35.867 13.564001 26.262001 1 2303 +ATOM N N ' ' THR A 1 284 . 284 THR A N 27.67 1.0 30.471 12.548002 30.555 1 2304 +ATOM C CA ' ' THR A 1 284 . 284 THR A CA 30.94 1.0 29.274998 12.726002 31.376 1 2305 +ATOM C C ' ' THR A 1 284 . 284 THR A C 29.31 1.0 29.054 14.228001 31.557 1 2306 +ATOM O O ' ' THR A 1 284 . 284 THR A O 26.13 1.0 29.638 14.854002 32.452003 1 2307 +ATOM C CB ' ' THR A 1 284 . 284 THR A CB 33.14 1.0 29.406998 12.003002 32.722 1 2308 +ATOM O OG1 ' ' THR A 1 284 . 284 THR A OG1 37.38 1.0 29.695 10.613001 32.489 1 2309 +ATOM C CG2 ' ' THR A 1 284 . 284 THR A CG2 34.51 1.0 28.103 12.133001 33.572 1 2310 +ATOM N N ' ' PRO A 1 285 . 285 PRO A N 28.6 1.0 28.235 14.840002 30.721 1 2311 +ATOM C CA ' ' PRO A 1 285 . 285 PRO A CA 24.36 1.0 28.042 16.301 30.809998 1 2312 +ATOM C C ' ' PRO A 1 285 . 285 PRO A C 28.29 1.0 27.267998 16.684002 32.061005 1 2313 +ATOM O O ' ' PRO A 1 285 . 285 PRO A O 25.16 1.0 26.417 15.936001 32.545998 1 2314 +ATOM C CB ' ' PRO A 1 285 . 285 PRO A CB 27.93 1.0 27.249 16.634 29.544998 1 2315 +ATOM C CG ' ' PRO A 1 285 . 285 PRO A CG 33.0 1.0 27.425999 15.421001 28.646004 1 2316 +ATOM C CD ' ' PRO A 1 285 . 285 PRO A CD 28.43 1.0 27.529999 14.245001 29.581001 1 2317 +ATOM N N ' ' VAL A 1 286 . 286 VAL A N 20.69 1.0 27.605 17.853 32.619003 1 2318 +ATOM C CA ' ' VAL A 1 286 . 286 VAL A CA 19.37 1.0 26.809998 18.520002 33.642998 1 2319 +ATOM C C ' ' VAL A 1 286 . 286 VAL A C 22.7 1.0 26.316998 19.819 32.983 1 2320 +ATOM O O ' ' VAL A 1 286 . 286 VAL A O 19.74 1.0 27.133 20.596 32.491005 1 2321 +ATOM C CB ' ' VAL A 1 286 . 286 VAL A CB 25.1 1.0 27.661 18.822002 34.887 1 2322 +ATOM C CG1 ' ' VAL A 1 286 . 286 VAL A CG1 24.35 1.0 26.826 19.559002 35.887 1 2323 +ATOM C CG2 ' ' VAL A 1 286 . 286 VAL A CG2 27.04 1.0 28.120998 17.508001 35.522003 1 2324 +ATOM N N ' ' VAL A 1 287 . 287 VAL A N 16.9 1.0 25.004997 20.029001 32.885002 1 2325 +ATOM C CA ' ' VAL A 1 287 . 287 VAL A CA 15.46 1.0 24.487999 21.059002 31.981003 1 2326 +ATOM C C ' ' VAL A 1 287 . 287 VAL A C 18.42 1.0 23.786999 22.144001 32.78 1 2327 +ATOM O O ' ' VAL A 1 287 . 287 VAL A O 21.02 1.0 22.905998 21.857002 33.601997 1 2328 +ATOM C CB ' ' VAL A 1 287 . 287 VAL A CB 19.8 1.0 23.536999 20.442001 30.937004 1 2329 +ATOM C CG1 ' ' VAL A 1 287 . 287 VAL A CG1 20.91 1.0 23.161 21.493002 29.943 1 2330 +ATOM C CG2 ' ' VAL A 1 287 . 287 VAL A CG2 24.92 1.0 24.230999 19.259003 30.230003 1 2331 +ATOM N N ' ' TYR A 1 288 . 288 TYR A N 14.48 1.0 24.103 23.397001 32.472 1 2332 +ATOM C CA ' ' TYR A 1 288 . 288 TYR A CA 17.7 1.0 23.432999 24.544003 33.07 1 2333 +ATOM C C ' ' TYR A 1 288 . 288 TYR A C 23.18 1.0 22.900002 25.427002 31.968002 1 2334 +ATOM O O ' ' TYR A 1 288 . 288 TYR A O 19.35 1.0 23.682 25.935001 31.154999 1 2335 +ATOM C CB ' ' TYR A 1 288 . 288 TYR A CB 17.47 1.0 24.435001 25.324001 33.892 1 2336 +ATOM C CG ' ' TYR A 1 288 . 288 TYR A CG 18.1 1.0 24.813 24.565002 35.096 1 2337 +ATOM C CD1 ' ' TYR A 1 288 . 288 TYR A CD1 19.52 1.0 23.921001 24.456001 36.162003 1 2338 +ATOM C CD2 ' ' TYR A 1 288 . 288 TYR A CD2 19.7 1.0 26.048 23.904001 35.172005 1 2339 +ATOM C CE1 ' ' TYR A 1 288 . 288 TYR A CE1 26.33 1.0 24.314 23.745003 37.328003 1 2340 +ATOM C CE2 ' ' TYR A 1 288 . 288 TYR A CE2 18.88 1.0 26.427998 23.183002 36.33 1 2341 +ATOM C CZ ' ' TYR A 1 288 . 288 TYR A CZ 22.59 1.0 25.536 23.102001 37.377 1 2342 +ATOM O OH ' ' TYR A 1 288 . 288 TYR A OH 23.9 1.0 25.898998 22.408 38.545 1 2343 +ATOM N N ' ' LYS A 1 289 . 289 LYS A N 18.52 1.0 21.584 25.568 31.906998 1 2344 +ATOM C CA ' ' LYS A 1 289 . 289 LYS A CA 18.4 1.0 20.898998 26.236 30.781998 1 2345 +ATOM C C ' ' LYS A 1 289 . 289 LYS A C 18.55 1.0 20.153 27.453001 31.318 1 2346 +ATOM O O ' ' LYS A 1 289 . 289 LYS A O 18.9 1.0 19.338001 27.318 32.257004 1 2347 +ATOM C CB ' ' LYS A 1 289 . 289 LYS A CB 17.78 1.0 19.897 25.243002 30.107002 1 2348 +ATOM C CG ' ' LYS A 1 289 . 289 LYS A CG 28.92 1.0 19.005001 25.945002 29.109001 1 2349 +ATOM C CD ' ' LYS A 1 289 . 289 LYS A CD 36.67 1.0 18.006 25.033 28.402 1 2350 +ATOM C CE ' ' LYS A 1 289 . 289 LYS A CE 33.78 1.0 17.526001 25.810001 27.134003 1 2351 +ATOM N NZ ' ' LYS A 1 289 . 289 LYS A NZ 48.33 1.0 16.333 25.308002 26.380005 1 2352 +ATOM N N ' ' PHE A 1 290 . 290 PHE A N 15.26 1.0 20.402 28.638 30.747002 1 2353 +ATOM C CA ' ' PHE A 1 290 . 290 PHE A CA 12.1 1.0 19.562 29.800001 31.058998 1 2354 +ATOM C C ' ' PHE A 1 290 . 290 PHE A C 16.93 1.0 18.519001 29.878002 29.932999 1 2355 +ATOM O O ' ' PHE A 1 290 . 290 PHE A O 20.2 1.0 18.895 30.122002 28.798004 1 2356 +ATOM C CB ' ' PHE A 1 290 . 290 PHE A CB 14.37 1.0 20.293 31.114002 31.049004 1 2357 +ATOM C CG ' ' PHE A 1 290 . 290 PHE A CG 19.11 1.0 21.3 31.252 32.161003 1 2358 +ATOM C CD1 ' ' PHE A 1 290 . 290 PHE A CD1 20.09 1.0 20.91 31.756 33.42 1 2359 +ATOM C CD2 ' ' PHE A 1 290 . 290 PHE A CD2 20.6 1.0 22.592 30.792002 31.967003 1 2360 +ATOM C CE1 ' ' PHE A 1 290 . 290 PHE A CE1 25.76 1.0 21.852001 31.878002 34.466003 1 2361 +ATOM C CE2 ' ' PHE A 1 290 . 290 PHE A CE2 21.32 1.0 23.556 30.906002 33.051003 1 2362 +ATOM C CZ ' ' PHE A 1 290 . 290 PHE A CZ 22.14 1.0 23.16 31.465002 34.281 1 2363 +ATOM N N ' ' SER A 1 291 . 291 SER A N 15.52 1.0 17.242 29.697002 30.262001 1 2364 +ATOM C CA ' ' SER A 1 291 . 291 SER A CA 15.77 1.0 16.228 29.793001 29.172005 1 2365 +ATOM C C ' ' SER A 1 291 . 291 SER A C 19.62 1.0 15.078 30.673 29.613998 1 2366 +ATOM O O ' ' SER A 1 291 . 291 SER A O 18.46 1.0 15.1050005 31.274002 30.688004 1 2367 +ATOM C CB ' ' SER A 1 291 . 291 SER A CB 17.14 1.0 15.676999 28.412003 28.848 1 2368 +ATOM O OG ' ' SER A 1 291 . 291 SER A OG 22.4 1.0 14.9210005 27.980001 29.974998 1 2369 +ATOM N N ' ' ASP A 1 292 . 292 ASP A N 20.31 1.0 14.022 30.735 28.817001 1 2370 +ATOM C CA ' ' ASP A 1 292 . 292 ASP A CA 17.58 1.0 12.903001 31.546001 29.279999 1 2371 +ATOM C C ' ' ASP A 1 292 . 292 ASP A C 20.98 1.0 12.068 30.832 30.344002 1 2372 +ATOM O O ' ' ASP A 1 292 . 292 ASP A O 19.49 1.0 11.183 31.45 30.922005 1 2373 +ATOM C CB ' ' ASP A 1 292 . 292 ASP A CB 20.65 1.0 12.06 32.002003 28.030998 1 2374 +ATOM C CG ' ' ASP A 1 292 . 292 ASP A CG 31.69 1.0 11.415 30.861002 27.264 1 2375 +ATOM O OD1 ' ' ASP A 1 292 . 292 ASP A OD1 31.07 1.0 11.206 29.810001 27.857002 1 2376 +ATOM O OD2 ' ' ASP A 1 292 . 292 ASP A OD2 34.61 1.0 11.080001 31.050001 26.020004 1 2377 +ATOM N N ' ' GLU A 1 293 . 293 GLU A N 18.62 1.0 12.422999 29.595001 30.728004 1 2378 +ATOM C CA ' ' GLU A 1 293 . 293 GLU A CA 22.64 1.0 11.738999 28.887001 31.795998 1 2379 +ATOM C C ' ' GLU A 1 293 . 293 GLU A C 25.18 1.0 12.639001 28.487001 32.975998 1 2380 +ATOM O O ' ' GLU A 1 293 . 293 GLU A O 28.03 1.0 12.118001 28.229002 34.062004 1 2381 +ATOM C CB ' ' GLU A 1 293 . 293 GLU A CB 26.91 1.0 11.098001 27.604002 31.241005 1 2382 +ATOM C CG ' ' GLU A 1 293 . 293 GLU A CG 32.53 1.0 9.818999 27.941002 30.437004 1 2383 +ATOM C CD ' ' GLU A 1 293 . 293 GLU A CD 42.36 1.0 9.059001 26.692001 29.958 1 2384 +ATOM O OE1 ' ' GLU A 1 293 . 293 GLU A OE1 54.26 1.0 9.283999 25.598001 30.513 1 2385 +ATOM O OE2 ' ' GLU A 1 293 . 293 GLU A OE2 51.98 1.0 8.222 26.809002 29.044998 1 2386 +ATOM N N ' ' GLU A 1 294 . 294 GLU A N 20.64 1.0 13.95 28.483002 32.811005 1 2387 +ATOM C CA ' ' GLU A 1 294 . 294 GLU A CA 21.3 1.0 14.824 27.966002 33.864 1 2388 +ATOM C C ' ' GLU A 1 294 . 294 GLU A C 22.0 1.0 16.026001 28.874 34.036003 1 2389 +ATOM O O ' ' GLU A 1 294 . 294 GLU A O 18.74 1.0 16.530998 29.462002 33.084 1 2390 +ATOM C CB ' ' GLU A 1 294 . 294 GLU A CB 29.22 1.0 15.2890005 26.52 33.525 1 2391 +ATOM N N ' ' ARG A 1 295 . 295 ARG A N 20.22 1.0 16.499 28.942001 35.267998 1 2392 +ATOM C CA ' ' ARG A 1 295 . 295 ARG A CA 21.01 1.0 17.641998 29.781002 35.550003 1 2393 +ATOM C C ' ' ARG A 1 295 . 295 ARG A C 26.83 1.0 18.486 29.027 36.567 1 2394 +ATOM O O ' ' ARG A 1 295 . 295 ARG A O 29.39 1.0 18.0 28.746002 37.648003 1 2395 +ATOM C CB ' ' ARG A 1 295 . 295 ARG A CB 23.26 1.0 17.174 31.098001 36.128 1 2396 +ATOM C CG ' ' ARG A 1 295 . 295 ARG A CG 36.35 1.0 18.344002 31.905 36.648003 1 2397 +ATOM C CD ' ' ARG A 1 295 . 295 ARG A CD 38.66 1.0 17.922 33.25 36.809998 1 2398 +ATOM N NE ' ' ARG A 1 295 . 295 ARG A NE 44.77 1.0 17.284 33.609 35.551003 1 2399 +ATOM C CZ ' ' ARG A 1 295 . 295 ARG A CZ 46.56 1.0 16.893002 34.839 35.291 1 2400 +ATOM N NH1 ' ' ARG A 1 295 . 295 ARG A NH1 40.29 1.0 16.922 35.769 36.239998 1 2401 +ATOM N NH2 ' ' ARG A 1 295 . 295 ARG A NH2 33.79 1.0 16.528 35.154003 34.042 1 2402 +ATOM N N ' ' PRO A 1 296 . 296 PRO A N 19.04 1.0 19.689 28.623001 36.253998 1 2403 +ATOM C CA ' ' PRO A 1 296 . 296 PRO A CA 20.04 1.0 20.516998 27.960001 37.272003 1 2404 +ATOM C C ' ' PRO A 1 296 . 296 PRO A C 18.72 1.0 21.015 28.922 38.336 1 2405 +ATOM O O ' ' PRO A 1 296 . 296 PRO A O 16.7 1.0 21.145 30.132002 38.126 1 2406 +ATOM C CB ' ' PRO A 1 296 . 296 PRO A CB 23.29 1.0 21.706001 27.433002 36.458 1 2407 +ATOM C CG ' ' PRO A 1 296 . 296 PRO A CG 34.0 1.0 21.744 28.278002 35.279 1 2408 +ATOM C CD ' ' PRO A 1 296 . 296 PRO A CD 24.67 1.0 20.303001 28.533 34.922005 1 2409 +ATOM N N ' ' ALA A 1 297 . 297 ALA A N 18.93 1.0 21.402 28.341002 39.472 1 2410 +ATOM C CA ' ' ALA A 1 297 . 297 ALA A CA 20.35 1.0 22.108002 29.107002 40.498 1 2411 +ATOM C C ' ' ALA A 1 297 . 297 ALA A C 15.4 1.0 23.595001 29.276001 40.136 1 2412 +ATOM O O ' ' ALA A 1 297 . 297 ALA A O 15.08 1.0 24.269001 28.299002 39.784004 1 2413 +ATOM C CB ' ' ALA A 1 297 . 297 ALA A CB 19.29 1.0 21.999 28.379002 41.843002 1 2414 +ATOM N N ' ' ILE A 1 298 . 298 ILE A N 17.63 1.0 24.131 30.489002 40.295998 1 2415 +ATOM C CA ' ' ILE A 1 298 . 298 ILE A CA 15.93 1.0 25.550999 30.662003 39.964005 1 2416 +ATOM C C ' ' ILE A 1 298 . 298 ILE A C 13.88 1.0 26.439 29.856 40.920998 1 2417 +ATOM O O ' ' ILE A 1 298 . 298 ILE A O 14.65 1.0 27.501 29.372002 40.522003 1 2418 +ATOM C CB ' ' ILE A 1 298 . 298 ILE A CB 17.77 1.0 25.918 32.169003 39.956 1 2419 +ATOM C CG1 ' ' ILE A 1 298 . 298 ILE A CG1 17.19 1.0 27.362999 32.399002 39.561005 1 2420 +ATOM C CG2 ' ' ILE A 1 298 . 298 ILE A CG2 22.18 1.0 25.668999 32.802002 41.322 1 2421 +ATOM C CD1 ' ' ILE A 1 298 . 298 ILE A CD1 24.17 1.0 27.687 31.857002 38.190002 1 2422 +ATOM N N ' ' SER A 1 299 . 299 SER A N 14.53 1.0 26.015 29.672 42.165 1 2423 +ATOM C CA ' ' SER A 1 299 . 299 SER A CA 14.93 1.0 26.864998 28.925001 43.089005 1 2424 +ATOM C C ' ' SER A 1 299 . 299 SER A C 18.85 1.0 26.992 27.458002 42.626 1 2425 +ATOM O O ' ' SER A 1 299 . 299 SER A O 16.06 1.0 28.022999 26.824001 42.867004 1 2426 +ATOM C CB ' ' SER A 1 299 . 299 SER A CB 13.08 1.0 26.286999 29.017002 44.512 1 2427 +ATOM O OG ' ' SER A 1 299 . 299 SER A OG 16.13 1.0 24.999 28.294003 44.483 1 2428 +ATOM N N ' ' GLU A 1 300 . 300 GLU A N 15.17 1.0 25.96 26.915 41.954002 1 2429 +ATOM C CA ' ' GLU A 1 300 . 300 GLU A CA 20.9 1.0 26.054 25.532001 41.471 1 2430 +ATOM C C ' ' GLU A 1 300 . 300 GLU A C 16.82 1.0 26.948997 25.416 40.242004 1 2431 +ATOM O O ' ' GLU A 1 300 . 300 GLU A O 17.73 1.0 27.703 24.444 40.099 1 2432 +ATOM C CB ' ' GLU A 1 300 . 300 GLU A CB 20.89 1.0 24.667 24.990002 41.135002 1 2433 +ATOM C CG ' ' GLU A 1 300 . 300 GLU A CG 26.4 1.0 23.798 24.858002 42.369003 1 2434 +ATOM C CD ' ' GLU A 1 300 . 300 GLU A CD 35.96 1.0 24.328 23.856003 43.350998 1 2435 +ATOM O OE1 ' ' GLU A 1 300 . 300 GLU A OE1 37.96 1.0 24.805 22.782001 42.936005 1 2436 +ATOM O OE2 ' ' GLU A 1 300 . 300 GLU A OE2 39.66 1.0 24.194 24.114002 44.547005 1 2437 +ATOM N N ' ' ILE A 1 301 . 301 ILE A N 17.27 1.0 26.864998 26.385002 39.334 1 2438 +ATOM C CA ' ' ILE A 1 301 . 301 ILE A CA 15.48 1.0 27.794998 26.437 38.209 1 2439 +ATOM C C ' ' ILE A 1 301 . 301 ILE A C 16.25 1.0 29.224998 26.472 38.716003 1 2440 +ATOM O O ' ' ILE A 1 301 . 301 ILE A O 16.02 1.0 30.104 25.726002 38.253 1 2441 +ATOM C CB ' ' ILE A 1 301 . 301 ILE A CB 14.12 1.0 27.493 27.687 37.354004 1 2442 +ATOM C CG1 ' ' ILE A 1 301 . 301 ILE A CG1 17.38 1.0 26.106998 27.536001 36.695 1 2443 +ATOM C CG2 ' ' ILE A 1 301 . 301 ILE A CG2 18.57 1.0 28.613998 27.865002 36.253 1 2444 +ATOM C CD1 ' ' ILE A 1 301 . 301 ILE A CD1 15.93 1.0 25.690998 28.765001 35.880005 1 2445 +ATOM N N ' ' LEU A 1 302 . 302 LEU A N 14.94 1.0 29.492 27.365002 39.693 1 2446 +ATOM C CA ' ' LEU A 1 302 . 302 LEU A CA 16.02 1.0 30.862999 27.533 40.128998 1 2447 +ATOM C C ' ' LEU A 1 302 . 302 LEU A C 19.97 1.0 31.399998 26.266003 40.783005 1 2448 +ATOM O O ' ' LEU A 1 302 . 302 LEU A O 17.41 1.0 32.569 25.905003 40.593002 1 2449 +ATOM C CB ' ' LEU A 1 302 . 302 LEU A CB 12.72 1.0 30.992 28.711002 41.139 1 2450 +ATOM C CG ' ' LEU A 1 302 . 302 LEU A CG 19.25 1.0 30.721 30.081001 40.437004 1 2451 +ATOM C CD1 ' ' LEU A 1 302 . 302 LEU A CD1 16.96 1.0 30.709 31.162003 41.556 1 2452 +ATOM C CD2 ' ' LEU A 1 302 . 302 LEU A CD2 20.06 1.0 31.91 30.386002 39.489 1 2453 +ATOM N N ' ' LYS A 1 303 . 303 LYS A N 14.91 1.0 30.568 25.607002 41.569 1 2454 +ATOM C CA ' ' LYS A 1 303 . 303 LYS A CA 15.12 1.0 30.992 24.375002 42.237 1 2455 +ATOM C C ' ' LYS A 1 303 . 303 LYS A C 17.02 1.0 31.482998 23.318 41.263 1 2456 +ATOM O O ' ' LYS A 1 303 . 303 LYS A O 17.72 1.0 32.342 22.500002 41.625 1 2457 +ATOM C CB ' ' LYS A 1 303 . 303 LYS A CB 17.12 1.0 29.806 23.854 43.059998 1 2458 +ATOM C CG ' ' LYS A 1 303 . 303 LYS A CG 30.19 1.0 29.737999 22.339 43.276 1 2459 +ATOM C CD ' ' LYS A 1 303 . 303 LYS A CD 33.91 1.0 28.295998 21.986 43.697 1 2460 +ATOM C CE ' ' LYS A 1 303 . 303 LYS A CE 31.35 1.0 27.527 21.004002 42.813004 1 2461 +ATOM N NZ ' ' LYS A 1 303 . 303 LYS A NZ 40.18 1.0 26.752998 21.665 41.658005 1 2462 +ATOM N N ' ' ASP A 1 304 . 304 ASP A N 15.79 1.0 30.947998 23.284 40.056 1 2463 +ATOM C CA ' ' ASP A 1 304 . 304 ASP A CA 18.27 1.0 31.280998 22.216002 39.128998 1 2464 +ATOM C C ' ' ASP A 1 304 . 304 ASP A C 19.87 1.0 32.482998 22.504002 38.25 1 2465 +ATOM O O ' ' ASP A 1 304 . 304 ASP A O 19.44 1.0 32.968 21.574001 37.6 1 2466 +ATOM C CB ' ' ASP A 1 304 . 304 ASP A CB 15.69 1.0 30.063 21.901001 38.232002 1 2467 +ATOM C CG ' ' ASP A 1 304 . 304 ASP A CG 27.08 1.0 29.156998 20.887001 38.917 1 2468 +ATOM O OD1 ' ' ASP A 1 304 . 304 ASP A OD1 24.29 1.0 29.686 19.928001 39.523003 1 2469 +ATOM O OD2 ' ' ASP A 1 304 . 304 ASP A OD2 25.51 1.0 27.952 21.091002 38.956 1 2470 +ATOM N N ' ' ILE A 1 305 . 305 ILE A N 16.14 1.0 33.062 23.703001 38.322998 1 2471 +ATOM C CA ' ' ILE A 1 305 . 305 ILE A CA 18.5 1.0 34.17 24.041 37.425003 1 2472 +ATOM C C ' ' ILE A 1 305 . 305 ILE A C 16.5 1.0 35.441998 23.300001 37.831 1 2473 +ATOM O O ' ' ILE A 1 305 . 305 ILE A O 17.93 1.0 36.142 22.778002 36.934 1 2474 +ATOM C CB ' ' ILE A 1 305 . 305 ILE A CB 18.39 1.0 34.422 25.567001 37.380005 1 2475 +ATOM C CG1 ' ' ILE A 1 305 . 305 ILE A CG1 23.28 1.0 33.169 26.358002 36.978004 1 2476 +ATOM C CG2 ' ' ILE A 1 305 . 305 ILE A CG2 13.56 1.0 35.628 25.989002 36.418 1 2477 +ATOM C CD1 ' ' ILE A 1 305 . 305 ILE A CD1 24.78 1.0 32.785 26.122002 35.68 1 2478 +ATOM N N ' ' PRO A 1 306 . 306 PRO A N 16.61 1.0 35.86 23.329002 39.096 1 2479 +ATOM C CA ' ' PRO A 1 306 . 306 PRO A CA 19.52 1.0 37.228 22.879002 39.403 1 2480 +ATOM C C ' ' PRO A 1 306 . 306 PRO A C 19.18 1.0 37.527 21.464 38.926003 1 2481 +ATOM O O ' ' PRO A 1 306 . 306 PRO A O 19.43 1.0 38.649 21.198002 38.434 1 2482 +ATOM C CB ' ' PRO A 1 306 . 306 PRO A CB 19.11 1.0 37.284 22.928001 40.934 1 2483 +ATOM C CG ' ' PRO A 1 306 . 306 PRO A CG 16.57 1.0 36.358997 24.038002 41.336998 1 2484 +ATOM C CD ' ' PRO A 1 306 . 306 PRO A CD 14.79 1.0 35.188 23.906002 40.295 1 2485 +ATOM N N ' ' ASP A 1 307 . 307 ASP A N 17.31 1.0 36.572998 20.549002 39.034004 1 2486 +ATOM C CA ' ' ASP A 1 307 . 307 ASP A CA 18.66 1.0 36.92 19.174002 38.641 1 2487 +ATOM C C ' ' ASP A 1 307 . 307 ASP A C 19.74 1.0 36.398 18.832 37.253998 1 2488 +ATOM O O ' ' ASP A 1 307 . 307 ASP A O 19.72 1.0 36.467 17.681002 36.831 1 2489 +ATOM C CB ' ' ASP A 1 307 . 307 ASP A CB 25.17 1.0 36.499 18.162 39.704002 1 2490 +ATOM C CG ' ' ASP A 1 307 . 307 ASP A CG 29.81 1.0 35.01 17.997002 39.841003 1 2491 +ATOM O OD1 ' ' ASP A 1 307 . 307 ASP A OD1 29.73 1.0 34.242 18.843002 39.355003 1 2492 +ATOM O OD2 ' ' ASP A 1 307 . 307 ASP A OD2 35.73 1.0 34.587997 17.015001 40.503998 1 2493 +ATOM N N ' ' SER A 1 308 . 308 SER A N 18.11 1.0 35.978 19.833 36.501 1 2494 +ATOM C CA ' ' SER A 1 308 . 308 SER A CA 19.13 1.0 35.646 19.586002 35.101997 1 2495 +ATOM C C ' ' SER A 1 308 . 308 SER A C 21.9 1.0 36.913998 19.337002 34.295998 1 2496 +ATOM O O ' ' SER A 1 308 . 308 SER A O 20.97 1.0 37.871998 20.085001 34.410004 1 2497 +ATOM C CB ' ' SER A 1 308 . 308 SER A CB 18.36 1.0 34.947998 20.812 34.526 1 2498 +ATOM O OG ' ' SER A 1 308 . 308 SER A OG 20.16 1.0 33.639 20.859001 35.038002 1 2499 +ATOM N N ' ' GLU A 1 309 . 309 GLU A N 19.13 1.0 36.883 18.363 33.39 1 2500 +ATOM C CA ' ' GLU A 1 309 . 309 GLU A CA 23.18 1.0 37.985 18.28 32.42 1 2501 +ATOM C C ' ' GLU A 1 309 . 309 GLU A C 24.29 1.0 37.979 19.427002 31.437004 1 2502 +ATOM O O ' ' GLU A 1 309 . 309 GLU A O 21.85 1.0 39.051 19.803001 30.924004 1 2503 +ATOM C CB ' ' GLU A 1 309 . 309 GLU A CB 21.97 1.0 37.927998 16.995 31.598999 1 2504 +ATOM C CG ' ' GLU A 1 309 . 309 GLU A CG 34.27 1.0 38.326 15.765001 32.402 1 2505 +ATOM C CD ' ' GLU A 1 309 . 309 GLU A CD 42.55 1.0 38.826 14.645002 31.493004 1 2506 +ATOM O OE1 ' ' GLU A 1 309 . 309 GLU A OE1 57.21 1.0 40.0 14.698002 31.055 1 2507 +ATOM O OE2 ' ' GLU A 1 309 . 309 GLU A OE2 43.02 1.0 38.018997 13.748001 31.178001 1 2508 +ATOM N N ' ' ALA A 1 310 . 310 ALA A N 21.39 1.0 36.784 19.95 31.098999 1 2509 +ATOM C CA ' ' ALA A 1 310 . 310 ALA A CA 21.06 1.0 36.629997 20.95 30.061005 1 2510 +ATOM C C ' ' ALA A 1 310 . 310 ALA A C 21.12 1.0 35.295 21.666 30.286003 1 2511 +ATOM O O ' ' ALA A 1 310 . 310 ALA A O 19.42 1.0 34.412 21.139002 30.976997 1 2512 +ATOM C CB ' ' ALA A 1 310 . 310 ALA A CB 24.46 1.0 36.629997 20.308002 28.656998 1 2513 +ATOM N N ' ' LEU A 1 311 . 311 LEU A N 21.03 1.0 35.162 22.864002 29.701004 1 2514 +ATOM C CA ' ' LEU A 1 311 . 311 LEU A CA 18.44 1.0 33.911 23.627003 29.711998 1 2515 +ATOM C C ' ' LEU A 1 311 . 311 LEU A C 19.95 1.0 33.458 23.826 28.269005 1 2516 +ATOM O O ' ' LEU A 1 311 . 311 LEU A O 20.02 1.0 34.294 23.978 27.368004 1 2517 +ATOM C CB ' ' LEU A 1 311 . 311 LEU A CB 16.93 1.0 34.079998 25.025002 30.382004 1 2518 +ATOM C CG ' ' LEU A 1 311 . 311 LEU A CG 21.31 1.0 34.760998 25.047 31.761002 1 2519 +ATOM C CD1 ' ' LEU A 1 311 . 311 LEU A CD1 19.95 1.0 34.766 26.524002 32.277 1 2520 +ATOM C CD2 ' ' LEU A 1 311 . 311 LEU A CD2 25.46 1.0 33.962997 24.189001 32.697998 1 2521 +ATOM N N ' ' ILE A 1 312 . 312 ILE A N 16.17 1.0 32.142 23.890001 28.052002 1 2522 +ATOM C CA ' ' ILE A 1 312 . 312 ILE A CA 16.33 1.0 31.598999 24.336002 26.757004 1 2523 +ATOM C C ' ' ILE A 1 312 . 312 ILE A C 21.1 1.0 30.618 25.449001 27.039001 1 2524 +ATOM O O ' ' ILE A 1 312 . 312 ILE A O 20.4 1.0 29.743 25.300001 27.914001 1 2525 +ATOM C CB ' ' ILE A 1 312 . 312 ILE A CB 19.04 1.0 30.883 23.189001 26.019005 1 2526 +ATOM C CG1 ' ' ILE A 1 312 . 312 ILE A CG1 22.26 1.0 31.911 22.057001 25.767998 1 2527 +ATOM C CG2 ' ' ILE A 1 312 . 312 ILE A CG2 19.33 1.0 30.216 23.727001 24.745003 1 2528 +ATOM C CD1 ' ' ILE A 1 312 . 312 ILE A CD1 29.36 1.0 31.264 20.976002 24.970001 1 2529 +ATOM N N ' ' PHE A 1 313 . 313 PHE A N 17.72 1.0 30.773998 26.571001 26.332 1 2530 +ATOM C CA ' ' PHE A 1 313 . 313 PHE A CA 17.89 1.0 29.874 27.701002 26.444 1 2531 +ATOM C C ' ' PHE A 1 313 . 313 PHE A C 23.36 1.0 29.047 27.817001 25.18 1 2532 +ATOM O O ' ' PHE A 1 313 . 313 PHE A O 22.93 1.0 29.572998 27.62 24.072002 1 2533 +ATOM C CB ' ' PHE A 1 313 . 313 PHE A CB 18.91 1.0 30.648998 29.002 26.648003 1 2534 +ATOM C CG ' ' PHE A 1 313 . 313 PHE A CG 21.28 1.0 31.375 29.047 27.987999 1 2535 +ATOM C CD1 ' ' PHE A 1 313 . 313 PHE A CD1 24.33 1.0 30.659 29.329002 29.133003 1 2536 +ATOM C CD2 ' ' PHE A 1 313 . 313 PHE A CD2 26.44 1.0 32.736 28.826002 28.067001 1 2537 +ATOM C CE1 ' ' PHE A 1 313 . 313 PHE A CE1 23.78 1.0 31.276001 29.418001 30.358002 1 2538 +ATOM C CE2 ' ' PHE A 1 313 . 313 PHE A CE2 23.0 1.0 33.418 28.875002 29.354004 1 2539 +ATOM C CZ ' ' PHE A 1 313 . 313 PHE A CZ 23.33 1.0 32.674 29.169003 30.480003 1 2540 +ATOM N N ' ' GLY A 1 314 . 314 GLY A N 17.95 1.0 27.763 28.098001 25.353004 1 2541 +ATOM C CA ' ' GLY A 1 314 . 314 GLY A CA 19.33 1.0 26.901001 28.433002 24.210003 1 2542 +ATOM C C ' ' GLY A 1 314 . 314 GLY A C 23.36 1.0 26.325 29.818 24.431 1 2543 +ATOM O O ' ' GLY A 1 314 . 314 GLY A O 22.55 1.0 25.670998 30.055 25.459 1 2544 +ATOM N N ' ' VAL A 1 315 . 315 VAL A N 19.45 1.0 26.535 30.763 23.505001 1 2545 +ATOM C CA ' ' VAL A 1 315 . 315 VAL A CA 19.73 1.0 26.342 32.174 23.807003 1 2546 +ATOM C C ' ' VAL A 1 315 . 315 VAL A C 23.98 1.0 25.370998 32.802002 22.773003 1 2547 +ATOM O O ' ' VAL A 1 315 . 315 VAL A O 26.69 1.0 25.638 32.741 21.572002 1 2548 +ATOM C CB ' ' VAL A 1 315 . 315 VAL A CB 29.82 1.0 27.684998 32.912003 23.778 1 2549 +ATOM C CG1 ' ' VAL A 1 315 . 315 VAL A CG1 32.91 1.0 27.494999 34.337 24.184002 1 2550 +ATOM C CG2 ' ' VAL A 1 315 . 315 VAL A CG2 33.03 1.0 28.71 32.221 24.692001 1 2551 +ATOM N N A SER A 1 316 . 316 SER A N 23.93 0.5 24.403 33.59 23.263 1 2552 +ATOM C CA A SER A 1 316 . 316 SER A CA 26.88 0.5 23.577 34.495003 22.448002 1 2553 +ATOM C C A SER A 1 316 . 316 SER A C 27.35 0.5 24.202 35.885002 22.333 1 2554 +ATOM O O A SER A 1 316 . 316 SER A O 24.73 0.5 24.738998 36.43 23.303001 1 2555 +ATOM C CB A SER A 1 316 . 316 SER A CB 26.3 0.5 22.182999 34.678 23.064003 1 2556 +ATOM O OG A SER A 1 316 . 316 SER A OG 29.91 0.5 21.491001 33.443 23.097 1 2557 +ATOM N N B SER A 1 316 . 316 SER A N 22.86 0.5 24.172 33.158 23.219002 1 2558 +ATOM C CA B SER A 1 316 . 316 SER A CA 25.54 0.5 23.244999 33.920002 22.388 1 2559 +ATOM C C B SER A 1 316 . 316 SER A C 27.25 0.5 23.792 35.319 22.182003 1 2560 +ATOM O O B SER A 1 316 . 316 SER A O 25.76 0.5 24.338001 35.931 23.107002 1 2561 +ATOM C CB B SER A 1 316 . 316 SER A CB 29.32 0.5 21.880001 34.018 23.067001 1 2562 +ATOM O OG B SER A 1 316 . 316 SER A OG 28.86 0.5 21.299 32.729 23.209 1 2563 +ATOM N N A THR A 1 317 . 317 THR A N 25.15 0.5 24.055 36.504 21.164001 1 2564 +ATOM C CA A THR A 1 317 . 317 THR A CA 26.05 0.5 24.381 37.926003 21.085003 1 2565 +ATOM C C A THR A 1 317 . 317 THR A C 26.03 0.5 23.206001 38.749 21.596 1 2566 +ATOM O O A THR A 1 317 . 317 THR A O 26.05 0.5 22.04 38.412003 21.368 1 2567 +ATOM C CB A THR A 1 317 . 317 THR A CB 27.78 0.5 24.713001 38.362 19.652 1 2568 +ATOM O OG1 A THR A 1 317 . 317 THR A OG1 30.63 0.5 23.592 38.085003 18.791 1 2569 +ATOM C CG2 A THR A 1 317 . 317 THR A CG2 29.25 0.5 25.922 37.646 19.145 1 2570 +ATOM N N B THR A 1 317 . 317 THR A N 22.77 0.5 23.657001 35.835003 20.969002 1 2571 +ATOM C CA B THR A 1 317 . 317 THR A CA 26.23 0.5 24.139 37.185 20.741001 1 2572 +ATOM C C B THR A 1 317 . 317 THR A C 25.87 0.5 23.034 38.058002 20.14 1 2573 +ATOM O O B THR A 1 317 . 317 THR A O 24.31 0.5 22.394001 38.833 20.861 1 2574 +ATOM C CB B THR A 1 317 . 317 THR A CB 28.5 0.5 25.41 37.166 19.866001 1 2575 +ATOM O OG1 B THR A 1 317 . 317 THR A OG1 23.87 0.5 25.11 36.618 18.580002 1 2576 +ATOM C CG2 B THR A 1 317 . 317 THR A CG2 26.67 0.5 26.550999 36.312 20.542 1 2577 +ATOM N N A TYR A 1 318 . 318 TYR A N 23.48 0.5 23.515999 39.851 22.276001 1 2578 +ATOM C CA A TYR A 1 318 . 318 TYR A CA 26.03 0.5 22.458 40.705 22.804 1 2579 +ATOM C C A TYR A 1 318 . 318 TYR A C 28.02 0.5 22.915 42.161003 22.777 1 2580 +ATOM O O A TYR A 1 318 . 318 TYR A O 28.21 0.5 23.923 42.505 23.398003 1 2581 +ATOM C CB A TYR A 1 318 . 318 TYR A CB 26.13 0.5 22.078999 40.246002 24.209 1 2582 +ATOM C CG A TYR A 1 318 . 318 TYR A CG 22.26 0.5 20.902 40.906002 24.851997 1 2583 +ATOM C CD1 A TYR A 1 318 . 318 TYR A CD1 31.38 0.5 19.611 40.517002 24.517998 1 2584 +ATOM C CD2 A TYR A 1 318 . 318 TYR A CD2 28.18 0.5 21.057999 41.902 25.813004 1 2585 +ATOM C CE1 A TYR A 1 318 . 318 TYR A CE1 26.85 0.5 18.501 41.108 25.105003 1 2586 +ATOM C CE2 A TYR A 1 318 . 318 TYR A CE2 27.19 0.5 19.952 42.491 26.438004 1 2587 +ATOM C CZ A TYR A 1 318 . 318 TYR A CZ 31.9 0.5 18.682 42.092003 26.066002 1 2588 +ATOM O OH A TYR A 1 318 . 318 TYR A OH 28.07 0.5 17.559002 42.659 26.61 1 2589 +ATOM N N B TYR A 1 318 . 318 TYR A N 27.61 0.5 22.794998 37.931 18.832 1 2590 +ATOM C CA B TYR A 1 318 . 318 TYR A CA 28.22 0.5 21.837002 38.774002 18.124 1 2591 +ATOM C C B TYR A 1 318 . 318 TYR A C 27.83 0.5 22.148998 40.257 18.288002 1 2592 +ATOM O O B TYR A 1 318 . 318 TYR A O 27.02 0.5 23.063 40.769 17.644001 1 2593 +ATOM C CB B TYR A 1 318 . 318 TYR A CB 23.49 0.5 20.421001 38.458 18.598 1 2594 +ATOM C CG B TYR A 1 318 . 318 TYR A CG 24.5 0.5 20.108002 36.965 18.581001 1 2595 +ATOM C CD1 B TYR A 1 318 . 318 TYR A CD1 22.13 0.5 19.727001 36.353 17.397 1 2596 +ATOM C CD2 B TYR A 1 318 . 318 TYR A CD2 21.54 0.5 20.195 36.177002 19.734001 1 2597 +ATOM C CE1 B TYR A 1 318 . 318 TYR A CE1 18.57 0.5 19.436 35.036003 17.339 1 2598 +ATOM C CE2 B TYR A 1 318 . 318 TYR A CE2 23.3 0.5 19.897999 34.803 19.679 1 2599 +ATOM C CZ B TYR A 1 318 . 318 TYR A CZ 21.74 0.5 19.5 34.257 18.464 1 2600 +ATOM O OH B TYR A 1 318 . 318 TYR A OH 23.43 0.5 19.198002 32.919003 18.336002 1 2601 +ATOM N N A GLU A 1 319 . 319 GLU A N 27.25 0.5 22.179 43.001 22.035 1 2602 +ATOM C CA A GLU A 1 319 . 319 GLU A CA 26.72 0.5 22.473 44.434002 21.839 1 2603 +ATOM C C A GLU A 1 319 . 319 GLU A C 31.39 0.5 23.870998 44.571 21.251 1 2604 +ATOM O O A GLU A 1 319 . 319 GLU A O 30.79 0.5 24.096 44.075 20.135002 1 2605 +ATOM C CB A GLU A 1 319 . 319 GLU A CB 28.53 0.5 22.23 45.212 23.132 1 2606 +ATOM C CG A GLU A 1 319 . 319 GLU A CG 26.64 0.5 20.794998 45.506 23.374 1 2607 +ATOM C CD A GLU A 1 319 . 319 GLU A CD 33.67 0.5 20.477001 45.968002 24.773003 1 2608 +ATOM O OE1 A GLU A 1 319 . 319 GLU A OE1 26.43 0.5 21.394001 46.149002 25.61 1 2609 +ATOM O OE2 A GLU A 1 319 . 319 GLU A OE2 31.19 0.5 19.278 46.142002 25.035004 1 2610 +ATOM N N B GLU A 1 319 . 319 GLU A N 24.61 0.5 21.367 40.951 19.119 1 2611 +ATOM C CA B GLU A 1 319 . 319 GLU A CA 27.37 0.5 21.5 42.385002 19.303001 1 2612 +ATOM C C B GLU A 1 319 . 319 GLU A C 30.33 0.5 22.783 42.765 20.061 1 2613 +ATOM O O B GLU A 1 319 . 319 GLU A O 30.41 0.5 23.335 43.855003 19.850002 1 2614 +ATOM C CB B GLU A 1 319 . 319 GLU A CB 31.24 0.5 20.243 42.903 20.025002 1 2615 +ATOM C CG B GLU A 1 319 . 319 GLU A CG 30.67 0.5 19.699001 42.087 21.222 1 2616 +ATOM C CD B GLU A 1 319 . 319 GLU A CD 34.34 0.5 18.696999 40.921 20.905003 1 2617 +ATOM O OE1 B GLU A 1 319 . 319 GLU A OE1 41.5 0.5 19.147 39.814003 20.605 1 2618 +ATOM O OE2 B GLU A 1 319 . 319 GLU A OE2 35.19 0.5 17.455002 41.037003 21.043 1 2619 +ATOM N N A ALA A 1 320 . 320 ALA A N 31.32 0.5 24.807 45.245003 21.919003 1 2620 +ATOM C CA A ALA A 1 320 . 320 ALA A CA 38.76 0.5 26.188 45.33 21.475002 1 2621 +ATOM C C A ALA A 1 320 . 320 ALA A C 38.43 0.5 27.078 44.224003 22.042 1 2622 +ATOM O O A ALA A 1 320 . 320 ALA A O 42.06 0.5 28.231998 44.093002 21.609001 1 2623 +ATOM C CB A ALA A 1 320 . 320 ALA A CB 41.55 0.5 26.777 46.696 21.858002 1 2624 +ATOM N N B ALA A 1 320 . 320 ALA A N 26.41 0.5 23.283 41.897003 20.929 1 2625 +ATOM C CA B ALA A 1 320 . 320 ALA A CA 27.27 0.5 24.444 42.227 21.765 1 2626 +ATOM C C B ALA A 1 320 . 320 ALA A C 27.55 0.5 25.408 41.044003 21.775002 1 2627 +ATOM O O B ALA A 1 320 . 320 ALA A O 27.13 0.5 25.049 39.936 21.385002 1 2628 +ATOM C CB B ALA A 1 320 . 320 ALA A CB 28.22 0.5 24.019001 42.591003 23.191002 1 2629 +ATOM N N A GLU A 1 321 . 321 GLU A N 33.32 0.5 26.566998 43.415 22.971 1 2630 +ATOM C CA A GLU A 1 321 . 321 GLU A CA 32.75 0.5 27.406998 42.598 23.844002 1 2631 +ATOM C C A GLU A 1 321 . 321 GLU A C 30.09 0.5 26.898998 41.165 23.854 1 2632 +ATOM O O A GLU A 1 321 . 321 GLU A O 28.41 0.5 26.509998 40.653 22.800003 1 2633 +ATOM C CB A GLU A 1 321 . 321 GLU A CB 28.14 0.5 27.392998 43.189003 25.231003 1 2634 +ATOM C CG A GLU A 1 321 . 321 GLU A CG 41.96 0.5 27.856998 44.649002 25.269005 1 2635 +ATOM C CD A GLU A 1 321 . 321 GLU A CD 49.25 0.5 27.357998 45.394 26.5 1 2636 +ATOM O OE1 A GLU A 1 321 . 321 GLU A OE1 42.15 0.5 26.641998 44.775 27.322998 1 2637 +ATOM O OE2 A GLU A 1 321 . 321 GLU A OE2 50.25 0.5 27.668 46.602 26.637001 1 2638 +ATOM N N B GLU A 1 321 . 321 GLU A N 28.35 0.5 26.640999 41.255 22.254002 1 2639 +ATOM C CA B GLU A 1 321 . 321 GLU A CA 27.83 0.5 27.604 40.141003 22.249 1 2640 +ATOM C C B GLU A 1 321 . 321 GLU A C 27.86 0.5 27.41 39.203003 23.437 1 2641 +ATOM O O B GLU A 1 321 . 321 GLU A O 26.8 0.5 27.523998 37.971 23.305 1 2642 +ATOM C CB B GLU A 1 321 . 321 GLU A CB 31.43 0.5 29.041 40.672 22.242 1 2643 +ATOM C CG B GLU A 1 321 . 321 GLU A CG 33.61 0.5 29.471 41.284 20.915 1 2644 +ATOM C CD B GLU A 1 321 . 321 GLU A CD 35.56 0.5 29.577 40.269 19.795002 1 2645 +ATOM O OE1 B GLU A 1 321 . 321 GLU A OE1 36.73 0.5 29.573997 39.062 20.07 1 2646 +ATOM O OE2 B GLU A 1 321 . 321 GLU A OE2 39.18 0.5 29.665 40.670002 18.614002 1 2647 +ATOM N N A ILE A 1 322 . 322 ILE A N 25.1 0.5 26.874 40.512 25.020004 1 2648 +ATOM C CA A ILE A 1 322 . 322 ILE A CA 25.9 0.5 26.2 39.214 25.124 1 2649 +ATOM C C A ILE A 1 322 . 322 ILE A C 25.16 0.5 25.080997 39.24 26.156998 1 2650 +ATOM O O A ILE A 1 322 . 322 ILE A O 25.47 0.5 24.862 40.24 26.845001 1 2651 +ATOM C CB A ILE A 1 322 . 322 ILE A CB 26.16 0.5 27.168999 38.062 25.422005 1 2652 +ATOM C CG1 A ILE A 1 322 . 322 ILE A CG1 27.75 0.5 27.898998 38.246002 26.752998 1 2653 +ATOM C CG2 A ILE A 1 322 . 322 ILE A CG2 31.26 0.5 28.14 37.906002 24.284 1 2654 +ATOM C CD1 A ILE A 1 322 . 322 ILE A CD1 25.48 0.5 28.698997 36.993 27.173004 1 2655 +ATOM N N B ILE A 1 322 . 322 ILE A N 23.46 0.5 27.139 39.771 24.601997 1 2656 +ATOM C CA B ILE A 1 322 . 322 ILE A CA 25.93 0.5 26.96 39.017002 25.825005 1 2657 +ATOM C C B ILE A 1 322 . 322 ILE A C 25.65 0.5 25.712997 39.528 26.525002 1 2658 +ATOM O O B ILE A 1 322 . 322 ILE A O 26.17 0.5 25.658 40.692 26.944 1 2659 +ATOM C CB B ILE A 1 322 . 322 ILE A CB 25.44 0.5 28.18 39.148003 26.75 1 2660 +ATOM C CG1 B ILE A 1 322 . 322 ILE A CG1 30.0 0.5 29.466 38.969 25.936005 1 2661 +ATOM C CG2 B ILE A 1 322 . 322 ILE A CG2 25.19 0.5 28.091 38.105003 27.856003 1 2662 +ATOM C CD1 B ILE A 1 322 . 322 ILE A CD1 33.2 0.5 30.743 39.233 26.738998 1 2663 +ATOM N N A HIS A 1 323 . 323 HIS A N 24.26 0.5 24.353 38.139 26.239998 1 2664 +ATOM C CA A HIS A 1 323 . 323 HIS A CA 26.22 0.5 23.227001 38.021 27.160004 1 2665 +ATOM C C A HIS A 1 323 . 323 HIS A C 23.97 0.5 23.668999 38.307003 28.590004 1 2666 +ATOM O O A HIS A 1 323 . 323 HIS A O 25.76 0.5 24.728 37.809002 29.017998 1 2667 +ATOM C CB A HIS A 1 323 . 323 HIS A CB 26.17 0.5 22.662998 36.614002 27.049004 1 2668 +ATOM C CG A HIS A 1 323 . 323 HIS A CG 31.14 0.5 21.383999 36.374 27.793 1 2669 +ATOM N ND1 A HIS A 1 323 . 323 HIS A ND1 21.86 0.5 21.321999 36.223 29.169998 1 2670 +ATOM C CD2 A HIS A 1 323 . 323 HIS A CD2 23.39 0.5 20.112 36.263 27.335 1 2671 +ATOM C CE1 A HIS A 1 323 . 323 HIS A CE1 26.16 0.5 20.060001 36.021 29.515999 1 2672 +ATOM N NE2 A HIS A 1 323 . 323 HIS A NE2 23.45 0.5 19.310001 36.038002 28.418 1 2673 +ATOM N N B HIS A 1 323 . 323 HIS A N 25.53 0.5 24.747002 38.652 26.700005 1 2674 +ATOM C CA B HIS A 1 323 . 323 HIS A CA 25.03 0.5 23.526001 38.992 27.403 1 2675 +ATOM C C B HIS A 1 323 . 323 HIS A C 25.24 0.5 23.756 39.024002 28.910004 1 2676 +ATOM O O B HIS A 1 323 . 323 HIS A O 26.16 0.5 24.812 38.600002 29.422005 1 2677 +ATOM C CB B HIS A 1 323 . 323 HIS A CB 26.65 0.5 22.442001 38.014 26.950005 1 2678 +ATOM C CG B HIS A 1 323 . 323 HIS A CG 30.77 0.5 22.132 36.938 27.940002 1 2679 +ATOM N ND1 B HIS A 1 323 . 323 HIS A ND1 33.42 0.5 20.846 36.486 28.159004 1 2680 +ATOM C CD2 B HIS A 1 323 . 323 HIS A CD2 27.55 0.5 22.93 36.212 28.756004 1 2681 +ATOM C CE1 B HIS A 1 323 . 323 HIS A CE1 25.53 0.5 20.865002 35.567 29.100998 1 2682 +ATOM N NE2 B HIS A 1 323 . 323 HIS A NE2 26.49 0.5 22.117 35.38 29.474998 1 2683 +ATOM C C ' ' PRO A 1 324 . 324 PRO A C 23.84 1.0 23.550999 38.54 31.773003 1 2684 +ATOM O O ' ' PRO A 1 324 . 324 PRO A O 20.3 1.0 24.48 38.653 32.561005 1 2685 +ATOM N N A PRO A 1 324 . 324 PRO A N 23.25 0.5 22.882 39.088 29.353004 1 2686 +ATOM C CA A PRO A 1 324 . 324 PRO A CA 24.6 0.5 23.32 39.598 30.683998 1 2687 +ATOM C CB A PRO A 1 324 . 324 PRO A CB 25.43 0.5 22.161 40.512 31.100998 1 2688 +ATOM C CG A PRO A 1 324 . 324 PRO A CG 25.43 0.5 21.484001 40.88 29.830002 1 2689 +ATOM C CD A PRO A 1 324 . 324 PRO A CD 26.26 0.5 21.698002 39.801003 28.828003 1 2690 +ATOM N N B PRO A 1 324 . 324 PRO A N 22.66 0.5 22.812 39.582 29.675003 1 2691 +ATOM C CA B PRO A 1 324 . 324 PRO A CA 25.28 0.5 23.112 39.800003 31.079002 1 2692 +ATOM C CB B PRO A 1 324 . 324 PRO A CB 23.23 0.5 21.800999 40.355003 31.655998 1 2693 +ATOM C CG B PRO A 1 324 . 324 PRO A CG 26.91 0.5 21.227001 41.097 30.493004 1 2694 +ATOM C CD B PRO A 1 324 . 324 PRO A CD 25.53 0.5 21.582 40.293003 29.265 1 2695 +ATOM N N ' ' LEU A 1 325 . 325 LEU A N 23.55 1.0 22.810001 37.431 31.705002 1 2696 +ATOM C CA ' ' LEU A 1 325 . 325 LEU A CA 23.3 1.0 23.158 36.385002 32.683 1 2697 +ATOM C C ' ' LEU A 1 325 . 325 LEU A C 21.59 1.0 24.407001 35.623 32.273003 1 2698 +ATOM O O ' ' LEU A 1 325 . 325 LEU A O 23.01 1.0 25.126 35.121002 33.159004 1 2699 +ATOM C CB ' ' LEU A 1 325 . 325 LEU A CB 20.55 1.0 22.019001 35.408 32.903 1 2700 +ATOM C CG ' ' LEU A 1 325 . 325 LEU A CG 26.39 1.0 20.71 36.131 33.302002 1 2701 +ATOM C CD1 ' ' LEU A 1 325 . 325 LEU A CD1 28.61 1.0 19.608002 35.132 33.313004 1 2702 +ATOM C CD2 ' ' LEU A 1 325 . 325 LEU A CD2 31.73 1.0 20.901001 36.698 34.677002 1 2703 +HETATM N N ' ' MSE A 1 326 . 326 MSE A N 21.47 1.0 24.694 35.525 30.982002 1 2704 +HETATM C C ' ' MSE A 1 326 . 326 MSE A C 22.03 1.0 27.118 35.843002 30.904 1 2705 +HETATM O O ' ' MSE A 1 326 . 326 MSE A O 21.17 1.0 28.203999 35.391003 31.258003 1 2706 +HETATM C CA A MSE A 1 326 . 326 MSE A CA 21.64 0.5 25.952 34.939003 30.515999 1 2707 +HETATM C CB A MSE A 1 326 . 326 MSE A CB 23.83 0.5 25.913998 34.751003 29.013 1 2708 +HETATM C CG A MSE A 1 326 . 326 MSE A CG 24.44 0.5 27.194 34.193 28.413002 1 2709 +HETATM Se SE A MSE A 1 326 . 326 MSE A SE 33.87 0.5 27.793999 32.493 29.228004 1 2710 +HETATM C CE A MSE A 1 326 . 326 MSE A CE 23.68 0.5 26.204998 31.369001 28.995003 1 2711 +HETATM C CA B MSE A 1 326 . 326 MSE A CA 21.66 0.5 25.951 34.897003 30.582 1 2712 +HETATM C CB B MSE A 1 326 . 326 MSE A CB 23.9 0.5 25.920998 34.523003 29.108002 1 2713 +HETATM C CG B MSE A 1 326 . 326 MSE A CG 21.65 0.5 25.084 33.24 28.789001 1 2714 +HETATM Se SE B MSE A 1 326 . 326 MSE A SE 25.71 0.5 25.667 31.551003 29.664001 1 2715 +HETATM C CE B MSE A 1 326 . 326 MSE A CE 21.37 0.5 27.145 31.050001 28.441002 1 2716 +ATOM N N ' ' ARG A 1 327 . 327 ARG A N 18.03 1.0 26.905998 37.156002 30.811005 1 2717 +ATOM C CA ' ' ARG A 1 327 . 327 ARG A CA 20.07 1.0 27.941998 38.083 31.269005 1 2718 +ATOM C C ' ' ARG A 1 327 . 327 ARG A C 19.2 1.0 28.226997 37.871002 32.746002 1 2719 +ATOM O O ' ' ARG A 1 327 . 327 ARG A O 18.99 1.0 29.398998 37.775 33.159004 1 2720 +ATOM C CB ' ' ARG A 1 327 . 327 ARG A CB 20.93 1.0 27.533 39.526 30.998001 1 2721 +ATOM C CG ' ' ARG A 1 327 . 327 ARG A CG 22.9 1.0 28.659 40.479 31.468002 1 2722 +ATOM C CD ' ' ARG A 1 327 . 327 ARG A CD 24.99 1.0 28.128998 41.911003 31.524002 1 2723 +ATOM N NE ' ' ARG A 1 327 . 327 ARG A NE 22.57 1.0 27.161999 42.119003 32.598 1 2724 +ATOM C CZ ' ' ARG A 1 327 . 327 ARG A CZ 24.73 1.0 25.916 42.549004 32.432 1 2725 +ATOM N NH1 ' ' ARG A 1 327 . 327 ARG A NH1 24.7 1.0 25.433998 42.854 31.223999 1 2726 +ATOM N NH2 ' ' ARG A 1 327 . 327 ARG A NH2 23.48 1.0 25.132 42.677002 33.493004 1 2727 +ATOM N N ' ' PHE A 1 328 . 328 PHE A N 17.54 1.0 27.158 37.835003 33.575005 1 2728 +ATOM C CA ' ' PHE A 1 328 . 328 PHE A CA 23.23 1.0 27.341 37.66 35.007004 1 2729 +ATOM C C ' ' PHE A 1 328 . 328 PHE A C 19.63 1.0 28.071999 36.351 35.291 1 2730 +ATOM O O ' ' PHE A 1 328 . 328 PHE A O 17.51 1.0 29.002998 36.311 36.107002 1 2731 +ATOM C CB ' ' PHE A 1 328 . 328 PHE A CB 19.31 1.0 25.961998 37.66 35.698997 1 2732 +ATOM C CG ' ' PHE A 1 328 . 328 PHE A CG 22.19 1.0 26.054 37.494003 37.175003 1 2733 +ATOM C CD1 ' ' PHE A 1 328 . 328 PHE A CD1 20.45 1.0 26.135998 38.581 37.989998 1 2734 +ATOM C CD2 ' ' PHE A 1 328 . 328 PHE A CD2 27.64 1.0 25.990997 36.214 37.773003 1 2735 +ATOM C CE1 ' ' PHE A 1 328 . 328 PHE A CE1 25.9 1.0 26.246998 38.440002 39.408005 1 2736 +ATOM C CE2 ' ' PHE A 1 328 . 328 PHE A CE2 23.32 1.0 26.07 36.069 39.142 1 2737 +ATOM C CZ ' ' PHE A 1 328 . 328 PHE A CZ 26.9 1.0 26.196999 37.161003 39.978004 1 2738 +ATOM N N ' ' THR A 1 329 . 329 THR A N 17.29 1.0 27.658 35.279003 34.618004 1 2739 +ATOM C CA ' ' THR A 1 329 . 329 THR A CA 18.48 1.0 28.276001 33.969 34.843002 1 2740 +ATOM C C ' ' THR A 1 329 . 329 THR A C 15.28 1.0 29.75 33.984 34.436005 1 2741 +ATOM O O ' ' THR A 1 329 . 329 THR A O 15.37 1.0 30.626 33.542 35.195 1 2742 +ATOM C CB ' ' THR A 1 329 . 329 THR A CB 16.71 1.0 27.469997 32.899002 34.081 1 2743 +ATOM O OG1 ' ' THR A 1 329 . 329 THR A OG1 18.76 1.0 26.117 32.870003 34.585 1 2744 +ATOM C CG2 ' ' THR A 1 329 . 329 THR A CG2 17.22 1.0 28.16 31.514002 34.230003 1 2745 +ATOM N N ' ' LEU A 1 330 . 330 LEU A N 16.76 1.0 30.058998 34.527 33.25 1 2746 +ATOM C CA ' ' LEU A 1 330 . 330 LEU A CA 17.26 1.0 31.473 34.586002 32.847 1 2747 +ATOM C C ' ' LEU A 1 330 . 330 LEU A C 19.66 1.0 32.313 35.438 33.784004 1 2748 +ATOM O O ' ' LEU A 1 330 . 330 LEU A O 19.08 1.0 33.453 35.072002 34.094 1 2749 +ATOM C CB ' ' LEU A 1 330 . 330 LEU A CB 18.15 1.0 31.619999 35.107002 31.436005 1 2750 +ATOM C CG ' ' LEU A 1 330 . 330 LEU A CG 22.41 1.0 31.158 34.099003 30.386002 1 2751 +ATOM C CD1 ' ' LEU A 1 330 . 330 LEU A CD1 30.25 1.0 31.050999 34.778 29.006004 1 2752 +ATOM C CD2 ' ' LEU A 1 330 . 330 LEU A CD2 29.8 1.0 32.047 32.859 30.334 1 2753 +ATOM N N ' ' LEU A 1 331 . 331 LEU A N 16.26 1.0 31.792 36.574 34.235 1 2754 +ATOM C CA ' ' LEU A 1 331 . 331 LEU A CA 16.95 1.0 32.578 37.386 35.148003 1 2755 +ATOM C C ' ' LEU A 1 331 . 331 LEU A C 17.5 1.0 32.837997 36.643 36.466003 1 2756 +ATOM O O ' ' LEU A 1 331 . 331 LEU A O 16.71 1.0 33.913998 36.788002 37.050003 1 2757 +ATOM C CB ' ' LEU A 1 331 . 331 LEU A CB 18.23 1.0 31.888 38.718002 35.453003 1 2758 +ATOM C CG ' ' LEU A 1 331 . 331 LEU A CG 17.85 1.0 31.882 39.702003 34.283005 1 2759 +ATOM C CD1 ' ' LEU A 1 331 . 331 LEU A CD1 21.34 1.0 31.126 40.968002 34.642 1 2760 +ATOM C CD2 ' ' LEU A 1 331 . 331 LEU A CD2 23.83 1.0 33.316998 40.010002 33.798004 1 2761 +ATOM N N ' ' GLU A 1 332 . 332 GLU A N 15.98 1.0 31.843998 35.902 36.971 1 2762 +ATOM C CA ' ' GLU A 1 332 . 332 GLU A CA 17.5 1.0 32.072998 35.195 38.255005 1 2763 +ATOM C C ' ' GLU A 1 332 . 332 GLU A C 17.44 1.0 33.010998 34.003002 38.066 1 2764 +ATOM O O ' ' GLU A 1 332 . 332 GLU A O 17.8 1.0 33.806 33.68 38.948997 1 2765 +ATOM C CB ' ' GLU A 1 332 . 332 GLU A CB 21.81 1.0 30.733997 34.721 38.85 1 2766 +ATOM C CG ' ' GLU A 1 332 . 332 GLU A CG 21.86 1.0 29.837997 35.898003 39.271004 1 2767 +ATOM C CD ' ' GLU A 1 332 . 332 GLU A CD 25.63 1.0 30.611 36.904003 40.119003 1 2768 +ATOM O OE1 ' ' GLU A 1 332 . 332 GLU A OE1 26.62 1.0 31.381 36.496002 41.041 1 2769 +ATOM O OE2 ' ' GLU A 1 332 . 332 GLU A OE2 25.26 1.0 30.511997 38.138 39.844 1 2770 +ATOM N N ' ' ILE A 1 333 . 333 ILE A N 16.25 1.0 32.925 33.329002 36.929 1 2771 +ATOM C CA ' ' ILE A 1 333 . 333 ILE A CA 15.85 1.0 33.891 32.253002 36.626 1 2772 +ATOM C C ' ' ILE A 1 333 . 333 ILE A C 18.41 1.0 35.29 32.826 36.526 1 2773 +ATOM O O ' ' ILE A 1 333 . 333 ILE A O 18.9 1.0 36.263 32.267002 37.068 1 2774 +ATOM C CB ' ' ILE A 1 333 . 333 ILE A CB 18.99 1.0 33.481 31.521002 35.316 1 2775 +ATOM C CG1 ' ' ILE A 1 333 . 333 ILE A CG1 17.04 1.0 32.25 30.654001 35.541 1 2776 +ATOM C CG2 ' ' ILE A 1 333 . 333 ILE A CG2 20.83 1.0 34.726997 30.655003 34.786003 1 2777 +ATOM C CD1 ' ' ILE A 1 333 . 333 ILE A CD1 17.69 1.0 31.711998 30.048 34.198997 1 2778 +ATOM N N ' ' ILE A 1 334 . 334 ILE A N 18.57 1.0 35.431 33.980003 35.877 1 2779 +ATOM C CA ' ' ILE A 1 334 . 334 ILE A CA 18.05 1.0 36.765 34.589 35.831 1 2780 +ATOM C C ' ' ILE A 1 334 . 334 ILE A C 20.33 1.0 37.245 34.997 37.222 1 2781 +ATOM O O ' ' ILE A 1 334 . 334 ILE A O 21.37 1.0 38.431 34.833 37.567 1 2782 +ATOM C CB ' ' ILE A 1 334 . 334 ILE A CB 25.06 1.0 36.765 35.776 34.856003 1 2783 +ATOM C CG1 ' ' ILE A 1 334 . 334 ILE A CG1 25.55 1.0 36.559998 35.216 33.441 1 2784 +ATOM C CG2 ' ' ILE A 1 334 . 334 ILE A CG2 28.39 1.0 38.036 36.646 35.053 1 2785 +ATOM C CD1 ' ' ILE A 1 334 . 334 ILE A CD1 32.21 1.0 36.12 36.343002 32.483 1 2786 +ATOM N N ' ' ASP A 1 335 . 335 ASP A N 19.21 1.0 36.336998 35.495003 38.064003 1 2787 +ATOM C CA ' ' ASP A 1 335 . 335 ASP A CA 20.12 1.0 36.729 35.954002 39.398003 1 2788 +ATOM C C ' ' ASP A 1 335 . 335 ASP A C 20.64 1.0 37.058 34.805 40.343002 1 2789 +ATOM O O ' ' ASP A 1 335 . 335 ASP A O 19.86 1.0 37.952 34.938 41.168 1 2790 +ATOM C CB ' ' ASP A 1 335 . 335 ASP A CB 17.61 1.0 35.61 36.808002 40.019005 1 2791 +ATOM C CG ' ' ASP A 1 335 . 335 ASP A CG 33.74 1.0 36.09 37.54 41.235 1 2792 +ATOM O OD1 ' ' ASP A 1 335 . 335 ASP A OD1 33.14 1.0 37.065 38.306 41.116005 1 2793 +ATOM O OD2 ' ' ASP A 1 335 . 335 ASP A OD2 30.23 1.0 35.521 37.33 42.307 1 2794 +ATOM N N ' ' LYS A 1 336 . 336 LYS A N 17.05 1.0 36.342 33.681 40.259003 1 2795 +ATOM C CA ' ' LYS A 1 336 . 336 LYS A CA 15.1 1.0 36.401 32.663002 41.309 1 2796 +ATOM C C ' ' LYS A 1 336 . 336 LYS A C 14.72 1.0 36.967 31.349 40.836 1 2797 +ATOM O O ' ' LYS A 1 336 . 336 LYS A O 16.5 1.0 37.337997 30.518002 41.678 1 2798 +ATOM C CB ' ' LYS A 1 336 . 336 LYS A CB 17.25 1.0 34.990997 32.379 41.881004 1 2799 +ATOM C CG ' ' LYS A 1 336 . 336 LYS A CG 20.94 1.0 34.232 33.588 42.454002 1 2800 +ATOM C CD ' ' LYS A 1 336 . 336 LYS A CD 19.9 1.0 34.744 33.984 43.821 1 2801 +ATOM C CE ' ' LYS A 1 336 . 336 LYS A CE 22.97 1.0 33.826 35.061 44.433 1 2802 +ATOM N NZ ' ' LYS A 1 336 . 336 LYS A NZ 26.16 1.0 34.363 35.249 45.868004 1 2803 +ATOM N N ' ' ALA A 1 337 . 337 ALA A N 14.66 1.0 36.944 31.080002 39.533005 1 2804 +ATOM C CA ' ' ALA A 1 337 . 337 ALA A CA 15.61 1.0 37.215 29.723001 39.041 1 2805 +ATOM C C ' ' ALA A 1 337 . 337 ALA A C 15.95 1.0 38.059998 29.812 37.761 1 2806 +ATOM O O ' ' ALA A 1 337 . 337 ALA A O 16.54 1.0 37.725998 29.228 36.729004 1 2807 +ATOM C CB ' ' ALA A 1 337 . 337 ALA A CB 15.67 1.0 35.912 28.933002 38.808 1 2808 +ATOM N N ' ' ASN A 1 338 . 338 ASN A N 16.57 1.0 39.168 30.548 37.839005 1 2809 +ATOM C CA ' ' ASN A 1 338 . 338 ASN A CA 18.53 1.0 40.008 30.837002 36.664 1 2810 +ATOM C C ' ' ASN A 1 338 . 338 ASN A C 18.82 1.0 41.047 29.729002 36.583 1 2811 +ATOM O O ' ' ASN A 1 338 . 338 ASN A O 19.43 1.0 42.01 29.746002 37.350998 1 2812 +ATOM C CB ' ' ASN A 1 338 . 338 ASN A CB 18.54 1.0 40.686 32.193 36.855003 1 2813 +ATOM C CG ' ' ASN A 1 338 . 338 ASN A CG 24.76 1.0 41.496998 32.613003 35.601997 1 2814 +ATOM O OD1 ' ' ASN A 1 338 . 338 ASN A OD1 24.96 1.0 41.343 32.021 34.549004 1 2815 +ATOM N ND2 ' ' ASN A 1 338 . 338 ASN A ND2 31.87 1.0 42.371998 33.591003 35.757004 1 2816 +ATOM N N ' ' TYR A 1 339 . 339 TYR A N 15.47 1.0 40.816998 28.730001 35.755005 1 2817 +ATOM C CA ' ' TYR A 1 339 . 339 TYR A CA 17.81 1.0 41.638 27.528002 35.711998 1 2818 +ATOM C C ' ' TYR A 1 339 . 339 TYR A C 23.54 1.0 42.173 27.310001 34.300003 1 2819 +ATOM O O ' ' TYR A 1 339 . 339 TYR A O 18.98 1.0 41.516 27.628002 33.306 1 2820 +ATOM C CB ' ' TYR A 1 339 . 339 TYR A CB 16.73 1.0 40.843998 26.240002 36.096 1 2821 +ATOM C CG ' ' TYR A 1 339 . 339 TYR A CG 14.77 1.0 40.433 26.166 37.549004 1 2822 +ATOM C CD1 ' ' TYR A 1 339 . 339 TYR A CD1 18.27 1.0 41.362 25.721 38.539 1 2823 +ATOM C CD2 ' ' TYR A 1 339 . 339 TYR A CD2 18.12 1.0 39.129997 26.529001 37.951004 1 2824 +ATOM C CE1 ' ' TYR A 1 339 . 339 TYR A CE1 18.4 1.0 40.983997 25.623001 39.872 1 2825 +ATOM C CE2 ' ' TYR A 1 339 . 339 TYR A CE2 14.99 1.0 38.733997 26.443 39.295 1 2826 +ATOM C CZ ' ' TYR A 1 339 . 339 TYR A CZ 15.85 1.0 39.694 25.976002 40.255005 1 2827 +ATOM O OH ' ' TYR A 1 339 . 339 TYR A OH 18.03 1.0 39.392998 25.869001 41.583 1 2828 +ATOM N N ' ' GLU A 1 340 . 340 GLU A N 18.93 1.0 43.336 26.661001 34.211998 1 2829 +ATOM C CA ' ' GLU A 1 340 . 340 GLU A CA 19.76 1.0 43.896 26.322002 32.880005 1 2830 +ATOM C C ' ' GLU A 1 340 . 340 GLU A C 25.93 1.0 43.249 25.04 32.328003 1 2831 +ATOM O O ' ' GLU A 1 340 . 340 GLU A O 25.07 1.0 43.779 23.93 32.437004 1 2832 +ATOM C CB ' ' GLU A 1 340 . 340 GLU A CB 23.6 1.0 45.434 26.185001 32.986 1 2833 +ATOM C CG ' ' GLU A 1 340 . 340 GLU A CG 28.53 1.0 46.092 25.989002 31.585999 1 2834 +ATOM C CD ' ' GLU A 1 340 . 340 GLU A CD 37.42 1.0 47.631 25.93 31.674004 1 2835 +ATOM O OE1 ' ' GLU A 1 340 . 340 GLU A OE1 36.65 1.0 48.159 26.359001 32.72 1 2836 +ATOM O OE2 ' ' GLU A 1 340 . 340 GLU A OE2 31.3 1.0 48.294 25.448002 30.721 1 2837 +ATOM N N ' ' LYS A 1 341 . 341 LYS A N 17.93 1.0 42.066998 25.187 31.738998 1 2838 +ATOM C CA ' ' LYS A 1 341 . 341 LYS A CA 17.96 1.0 41.315 24.062 31.207 1 2839 +ATOM C C ' ' LYS A 1 341 . 341 LYS A C 17.01 1.0 40.884 24.378002 29.789001 1 2840 +ATOM O O ' ' LYS A 1 341 . 341 LYS A O 19.64 1.0 40.663 25.539001 29.452003 1 2841 +ATOM C CB ' ' LYS A 1 341 . 341 LYS A CB 20.64 1.0 40.033 23.785002 32.022003 1 2842 +ATOM C CG ' ' LYS A 1 341 . 341 LYS A CG 20.06 1.0 40.371998 23.308002 33.515 1 2843 +ATOM C CD ' ' LYS A 1 341 . 341 LYS A CD 19.53 1.0 39.124 23.305 34.396004 1 2844 +ATOM C CE ' ' LYS A 1 341 . 341 LYS A CE 20.13 1.0 39.446 22.897001 35.82 1 2845 +ATOM N NZ ' ' LYS A 1 341 . 341 LYS A NZ 19.35 1.0 39.84 21.444 35.915 1 2846 +ATOM N N ' ' PRO A 1 342 . 342 PRO A N 15.71 1.0 40.705997 23.357002 28.973999 1 2847 +ATOM C CA ' ' PRO A 1 342 . 342 PRO A CA 21.42 1.0 40.261997 23.600002 27.603004 1 2848 +ATOM C C ' ' PRO A 1 342 . 342 PRO A C 22.19 1.0 38.783 23.912003 27.598 1 2849 +ATOM O O ' ' PRO A 1 342 . 342 PRO A O 21.82 1.0 38.024 23.391003 28.428001 1 2850 +ATOM C CB ' ' PRO A 1 342 . 342 PRO A CB 23.94 1.0 40.551 22.267002 26.904 1 2851 +ATOM C CG ' ' PRO A 1 342 . 342 PRO A CG 26.4 1.0 40.422 21.236 27.947998 1 2852 +ATOM C CD ' ' PRO A 1 342 . 342 PRO A CD 21.34 1.0 41.008 21.928001 29.218002 1 2853 +ATOM N N ' ' VAL A 1 343 . 343 VAL A N 22.69 1.0 38.371 24.693 26.585 1 2854 +ATOM C CA ' ' VAL A 1 343 . 343 VAL A CA 18.67 1.0 36.999 25.216002 26.458 1 2855 +ATOM C C ' ' VAL A 1 343 . 343 VAL A C 23.63 1.0 36.635 25.183002 24.986 1 2856 +ATOM O O ' ' VAL A 1 343 . 343 VAL A O 20.9 1.0 37.483997 25.433002 24.119 1 2857 +ATOM C CB ' ' VAL A 1 343 . 343 VAL A CB 18.74 1.0 36.923 26.681002 26.998001 1 2858 +ATOM C CG1 ' ' VAL A 1 343 . 343 VAL A CG1 25.69 1.0 35.619 27.376001 26.723 1 2859 +ATOM C CG2 ' ' VAL A 1 343 . 343 VAL A CG2 19.65 1.0 37.175 26.7 28.529999 1 2860 +ATOM N N ' ' LEU A 1 344 . 344 LEU A N 17.6 1.0 35.371 24.881 24.703003 1 2861 +ATOM C CA ' ' LEU A 1 344 . 344 LEU A CA 22.1 1.0 34.784 25.127003 23.369 1 2862 +ATOM C C ' ' LEU A 1 344 . 344 LEU A C 22.44 1.0 33.799 26.281002 23.493 1 2863 +ATOM O O ' ' LEU A 1 344 . 344 LEU A O 20.02 1.0 33.078 26.377003 24.5 1 2864 +ATOM C CB ' ' LEU A 1 344 . 344 LEU A CB 21.15 1.0 34.028 23.896002 22.892002 1 2865 +ATOM C CG ' ' LEU A 1 344 . 344 LEU A CG 27.19 1.0 34.801 22.620003 22.691002 1 2866 +ATOM C CD1 ' ' LEU A 1 344 . 344 LEU A CD1 21.83 1.0 33.857998 21.486 22.218002 1 2867 +ATOM C CD2 ' ' LEU A 1 344 . 344 LEU A CD2 28.66 1.0 35.91 22.884003 21.674 1 2868 +ATOM N N ' ' VAL A 1 345 . 345 VAL A N 21.12 1.0 33.759 27.184002 22.508 1 2869 +ATOM C CA ' ' VAL A 1 345 . 345 VAL A CA 21.39 1.0 32.759 28.235 22.507 1 2870 +ATOM C C ' ' VAL A 1 345 . 345 VAL A C 23.03 1.0 31.877998 28.054 21.258 1 2871 +ATOM O O ' ' VAL A 1 345 . 345 VAL A O 22.3 1.0 32.393997 27.846 20.150002 1 2872 +ATOM C CB ' ' VAL A 1 345 . 345 VAL A CB 23.66 1.0 33.39 29.644001 22.563 1 2873 +ATOM C CG1 ' ' VAL A 1 345 . 345 VAL A CG1 24.68 1.0 32.281998 30.755001 22.523003 1 2874 +ATOM C CG2 ' ' VAL A 1 345 . 345 VAL A CG2 23.44 1.0 34.287 29.827002 23.856003 1 2875 +ATOM N N ' ' PHE A 1 346 . 346 PHE A N 20.43 1.0 30.562 28.050001 21.451 1 2876 +ATOM C CA ' ' PHE A 1 346 . 346 PHE A CA 20.4 1.0 29.584 28.045002 20.348 1 2877 +ATOM C C ' ' PHE A 1 346 . 346 PHE A C 24.69 1.0 28.82 29.334002 20.502003 1 2878 +ATOM O O ' ' PHE A 1 346 . 346 PHE A O 23.56 1.0 28.392998 29.668001 21.618 1 2879 +ATOM C CB ' ' PHE A 1 346 . 346 PHE A CB 22.94 1.0 28.613998 26.872002 20.470001 1 2880 +ATOM C CG ' ' PHE A 1 346 . 346 PHE A CG 26.83 1.0 29.217 25.532001 20.256 1 2881 +ATOM C CD1 ' ' PHE A 1 346 . 346 PHE A CD1 26.32 1.0 30.008 24.933002 21.236 1 2882 +ATOM C CD2 ' ' PHE A 1 346 . 346 PHE A CD2 26.55 1.0 28.999 24.857002 19.066002 1 2883 +ATOM C CE1 ' ' PHE A 1 346 . 346 PHE A CE1 31.68 1.0 30.531998 23.682001 21.026001 1 2884 +ATOM C CE2 ' ' PHE A 1 346 . 346 PHE A CE2 29.94 1.0 29.535 23.614002 18.856003 1 2885 +ATOM C CZ ' ' PHE A 1 346 . 346 PHE A CZ 34.53 1.0 30.299 23.02 19.846 1 2886 +ATOM N N ' ' GLY A 1 347 . 347 GLY A N 24.19 1.0 28.647 30.092001 19.407001 1 2887 +ATOM C CA ' ' GLY A 1 347 . 347 GLY A CA 21.45 1.0 28.125 31.412 19.600002 1 2888 +ATOM C C ' ' GLY A 1 347 . 347 GLY A C 32.35 1.0 27.301998 31.821001 18.385002 1 2889 +ATOM O O ' ' GLY A 1 347 . 347 GLY A O 25.91 1.0 27.600998 31.396002 17.275002 1 2890 +ATOM N N ' ' VAL A 1 348 . 348 VAL A N 31.78 1.0 26.215 32.552002 18.618 1 2891 +ATOM C CA ' ' VAL A 1 348 . 348 VAL A CA 33.42 1.0 25.416 33.109 17.522 1 2892 +ATOM C C ' ' VAL A 1 348 . 348 VAL A C 34.16 1.0 26.165 34.277 16.889 1 2893 +ATOM O O ' ' VAL A 1 348 . 348 VAL A O 37.35 1.0 26.702 35.123 17.59 1 2894 +ATOM C CB ' ' VAL A 1 348 . 348 VAL A CB 30.13 1.0 24.066002 33.571003 18.076 1 2895 +ATOM C CG1 ' ' VAL A 1 348 . 348 VAL A CG1 33.83 1.0 23.297 34.414 16.959 1 2896 +ATOM C CG2 ' ' VAL A 1 348 . 348 VAL A CG2 28.83 1.0 23.249 32.292 18.511002 1 2897 +ATOM N N ' ' HIS A 1 349 . 349 HIS A N 45.38 1.0 26.197998 34.344 15.560001 1 2898 +ATOM C CA ' ' HIS A 1 349 . 349 HIS A CA 51.87 1.0 26.746998 35.529003 14.889999 1 2899 +ATOM C C ' ' HIS A 1 349 . 349 HIS A C 48.27 1.0 25.645 36.582 14.826 1 2900 +ATOM O O ' ' HIS A 1 349 . 349 HIS A O 49.49 1.0 24.715 36.475002 14.018002 1 2901 +ATOM C CB ' ' HIS A 1 349 . 349 HIS A CB 55.99 1.0 27.244999 35.192 13.483002 1 2902 +ATOM C CG ' ' HIS A 1 349 . 349 HIS A CG 65.86 1.0 28.0 36.309002 12.826 1 2903 +ATOM N ND1 ' ' HIS A 1 349 . 349 HIS A ND1 82.28 1.0 28.675999 36.15 11.632999 1 2904 +ATOM C CD2 ' ' HIS A 1 349 . 349 HIS A CD2 63.68 1.0 28.204998 37.595 13.205002 1 2905 +ATOM C CE1 ' ' HIS A 1 349 . 349 HIS A CE1 80.22 1.0 29.261997 37.289 11.306 1 2906 +ATOM N NE2 ' ' HIS A 1 349 . 349 HIS A NE2 72.63 1.0 28.990997 38.182003 12.241001 1 2907 +ATOM N N ' ' GLY A 1 350 . 350 GLY A N 35.58 1.0 25.737999 37.584 15.695 1 2908 +ATOM C CA ' ' GLY A 1 350 . 350 GLY A CA 38.47 1.0 24.813 38.691 15.726002 1 2909 +ATOM C C ' ' GLY A 1 350 . 350 GLY A C 41.85 1.0 25.267998 39.921 14.939003 1 2910 +ATOM O O ' ' GLY A 1 350 . 350 GLY A O 43.09 1.0 26.139 39.869003 14.069 1 2911 +ATOM N N ' ' TRP A 1 351 . 351 TRP A N 36.83 1.0 24.630001 41.037003 15.243 1 2912 +ATOM C CA ' ' TRP A 1 351 . 351 TRP A CA 35.8 1.0 24.869999 42.31 14.574001 1 2913 +ATOM C C ' ' TRP A 1 351 . 351 TRP A C 42.38 1.0 25.218998 43.366 15.601002 1 2914 +ATOM O O ' ' TRP A 1 351 . 351 TRP A O 41.37 1.0 24.995998 44.558002 15.394001 1 2915 +ATOM C CB ' ' TRP A 1 351 . 351 TRP A CB 39.51 1.0 23.654999 42.72 13.7369995 1 2916 +ATOM C CG ' ' TRP A 1 351 . 351 TRP A CG 36.3 1.0 22.407001 42.859 14.566002 1 2917 +ATOM C CD1 ' ' TRP A 1 351 . 351 TRP A CD1 33.79 1.0 22.022 43.941 15.274002 1 2918 +ATOM C CD2 ' ' TRP A 1 351 . 351 TRP A CD2 35.12 1.0 21.418999 41.859 14.790001 1 2919 +ATOM N NE1 ' ' TRP A 1 351 . 351 TRP A NE1 33.83 1.0 20.835999 43.691 15.947002 1 2920 +ATOM C CE2 ' ' TRP A 1 351 . 351 TRP A CE2 33.68 1.0 20.446 42.415 15.667999 1 2921 +ATOM C CE3 ' ' TRP A 1 351 . 351 TRP A CE3 34.8 1.0 21.272999 40.536003 14.367001 1 2922 +ATOM C CZ2 ' ' TRP A 1 351 . 351 TRP A CZ2 31.11 1.0 19.300999 41.715 16.077 1 2923 +ATOM C CZ3 ' ' TRP A 1 351 . 351 TRP A CZ3 34.52 1.0 20.140999 39.819 14.791 1 2924 +ATOM C CH2 ' ' TRP A 1 351 . 351 TRP A CH2 32.74 1.0 19.173 40.414 15.637001 1 2925 +ATOM N N ' ' ALA A 1 352 . 352 ALA A N 40.34 1.0 25.793999 42.922 16.720001 1 2926 +ATOM C CA ' ' ALA A 1 352 . 352 ALA A CA 51.33 1.0 26.273998 43.845 17.743 1 2927 +ATOM C C ' ' ALA A 1 352 . 352 ALA A C 48.21 1.0 27.34 44.789 17.179 1 2928 +ATOM O O ' ' ALA A 1 352 . 352 ALA A O 47.31 1.0 28.073997 44.431 16.244 1 2929 +ATOM C CB ' ' ALA A 1 352 . 352 ALA A CB 39.38 1.0 26.84 43.067 18.931 1 2930 +ATOM N N ' ' PRO A 1 353 . 353 PRO A N 51.33 1.0 27.405998 46.019 17.696003 1 2931 +ATOM C CA ' ' PRO A 1 353 . 353 PRO A CA 65.2 1.0 28.518997 46.914 17.358002 1 2932 +ATOM C C ' ' PRO A 1 353 . 353 PRO A C 64.1 1.0 29.862 46.22 17.554 1 2933 +ATOM O O ' ' PRO A 1 353 . 353 PRO A O 59.99 1.0 30.076 45.507004 18.536 1 2934 +ATOM C CB ' ' PRO A 1 353 . 353 PRO A CB 62.1 1.0 28.341 48.081 18.34 1 2935 +ATOM C CG ' ' PRO A 1 353 . 353 PRO A CG 56.28 1.0 26.854 48.127003 18.615002 1 2936 +ATOM C CD ' ' PRO A 1 353 . 353 PRO A CD 57.29 1.0 26.314 46.724003 18.398003 1 2937 +ATOM N N ' ' SER A 1 354 . 354 SER A N 63.92 1.0 30.777 46.439003 16.61 1 2938 +ATOM C CA ' ' SER A 1 354 . 354 SER A CA 68.22 1.0 32.09 45.81 16.705002 1 2939 +ATOM C C ' ' SER A 1 354 . 354 SER A C 66.96 1.0 32.842 46.245003 17.957 1 2940 +ATOM O O ' ' SER A 1 354 . 354 SER A O 69.68 1.0 33.714 45.507004 18.432003 1 2941 +ATOM C CB ' ' SER A 1 354 . 354 SER A CB 72.74 1.0 32.905 46.127003 15.451 1 2942 +ATOM O OG ' ' SER A 1 354 . 354 SER A OG 74.66 1.0 32.815 47.510002 15.163002 1 2943 +ATOM N N ' ' ALA A 1 355 . 355 ALA A N 68.57 1.0 32.516 47.419003 18.509003 1 2944 +ATOM C CA ' ' ALA A 1 355 . 355 ALA A CA 62.46 1.0 33.108997 47.853 19.77 1 2945 +ATOM C C ' ' ALA A 1 355 . 355 ALA A C 64.12 1.0 32.804 46.897003 20.924 1 2946 +ATOM O O ' ' ALA A 1 355 . 355 ALA A O 51.37 1.0 33.538 46.897003 21.922 1 2947 +ATOM C CB ' ' ALA A 1 355 . 355 ALA A CB 54.49 1.0 32.621 49.258003 20.113003 1 2948 +ATOM N N B GLU A 1 356 . 356 GLU A N 52.06 0.5 31.752998 46.077003 20.816002 1 2949 +ATOM C CA B GLU A 1 356 . 356 GLU A CA 46.21 0.5 31.374 45.218002 21.931 1 2950 +ATOM C C B GLU A 1 356 . 356 GLU A C 31.78 0.5 32.287 44.001 22.024002 1 2951 +ATOM C CB B GLU A 1 356 . 356 GLU A CB 38.28 0.5 29.909 44.79 21.817001 1 2952 +ATOM C CG B GLU A 1 356 . 356 GLU A CG 39.79 0.5 28.926998 45.879 22.246002 1 2953 +ATOM C CD B GLU A 1 356 . 356 GLU A CD 40.9 0.5 27.506 45.363003 22.453003 1 2954 +ATOM O OE1 B GLU A 1 356 . 356 GLU A OE1 38.49 0.5 27.307999 44.123 22.414001 1 2955 +ATOM O OE2 B GLU A 1 356 . 356 GLU A OE2 41.02 0.5 26.580997 46.199 22.643002 1 2956 +ATOM N N ' ' ARG A 1 357 . 357 ARG A N 47.98 1.0 32.812 43.812 23.241001 1 2957 +ATOM C CA ' ' ARG A 1 357 . 357 ARG A CA 46.78 1.0 33.642998 42.652 23.558002 1 2958 +ATOM C C ' ' ARG A 1 357 . 357 ARG A C 44.02 1.0 32.825 41.372 23.476002 1 2959 +ATOM O O ' ' ARG A 1 357 . 357 ARG A O 39.46 1.0 31.696999 41.294003 23.979 1 2960 +ATOM C CB ' ' ARG A 1 357 . 357 ARG A CB 46.53 1.0 34.253998 42.775 24.956001 1 2961 +ATOM N N ' ' THR A 1 358 . 358 THR A N 41.34 1.0 33.384 40.371002 22.835003 1 2962 +ATOM C CA ' ' THR A 1 358 . 358 THR A CA 53.14 1.0 32.693 39.100002 22.726002 1 2963 +ATOM C C ' ' THR A 1 358 . 358 THR A C 49.36 1.0 33.006 38.227 23.952 1 2964 +ATOM O O ' ' THR A 1 358 . 358 THR A O 44.44 1.0 34.002 38.426003 24.665 1 2965 +ATOM C CB ' ' THR A 1 358 . 358 THR A CB 50.04 1.0 33.091 38.385002 21.432003 1 2966 +ATOM O OG1 ' ' THR A 1 358 . 358 THR A OG1 58.93 1.0 34.5 38.105003 21.483002 1 2967 +ATOM C CG2 ' ' THR A 1 358 . 358 THR A CG2 47.67 1.0 32.781 39.262 20.167 1 2968 +ATOM N N ' ' ALA A 1 359 . 359 ALA A N 44.14 1.0 32.119 37.260002 24.197002 1 2969 +ATOM C CA ' ' ALA A 1 359 . 359 ALA A CA 53.97 1.0 32.420998 36.209 25.168999 1 2970 +ATOM C C ' ' ALA A 1 359 . 359 ALA A C 46.49 1.0 33.814 35.629 24.938004 1 2971 +ATOM O O ' ' ALA A 1 359 . 359 ALA A O 42.61 1.0 34.545 35.338 25.89 1 2972 +ATOM C CB ' ' ALA A 1 359 . 359 ALA A CB 40.97 1.0 31.367 35.103 25.084 1 2973 +ATOM N N ' ' GLY A 1 360 . 360 GLY A N 50.91 1.0 34.204 35.480003 23.669003 1 2974 +ATOM C CA ' ' GLY A 1 360 . 360 GLY A CA 48.34 1.0 35.526 34.962 23.361 1 2975 +ATOM C C ' ' GLY A 1 360 . 360 GLY A C 41.76 1.0 36.662 35.848 23.841 1 2976 +ATOM O O ' ' GLY A 1 360 . 360 GLY A O 43.32 1.0 37.651 35.354 24.396004 1 2977 +ATOM N N ' ' GLU A 1 361 . 361 GLU A N 38.15 1.0 36.568 37.162003 23.628002 1 2978 +ATOM C CA ' ' GLU A 1 361 . 361 GLU A CA 36.22 1.0 37.718998 37.956 24.028 1 2979 +ATOM C C ' ' GLU A 1 361 . 361 GLU A C 45.72 1.0 37.765 38.182003 25.534004 1 2980 +ATOM O O ' ' GLU A 1 361 . 361 GLU A O 38.08 1.0 38.843998 38.460003 26.087997 1 2981 +ATOM C CB ' ' GLU A 1 361 . 361 GLU A CB 52.23 1.0 37.767 39.29 23.289001 1 2982 +ATOM C CG ' ' GLU A 1 361 . 361 GLU A CG 67.81 1.0 36.46 39.99 23.11 1 2983 +ATOM C CD ' ' GLU A 1 361 . 361 GLU A CD 68.33 1.0 36.547 41.087 22.063 1 2984 +ATOM O OE1 ' ' GLU A 1 361 . 361 GLU A OE1 84.91 1.0 37.515 41.88 22.108002 1 2985 +ATOM O OE2 ' ' GLU A 1 361 . 361 GLU A OE2 56.58 1.0 35.659 41.146 21.190002 1 2986 +ATOM N N ' ' LEU A 1 362 . 362 LEU A N 40.94 1.0 36.62 38.074 26.207 1 2987 +ATOM C CA ' ' LEU A 1 362 . 362 LEU A CA 43.86 1.0 36.627 38.069 27.667 1 2988 +ATOM C C ' ' LEU A 1 362 . 362 LEU A C 33.18 1.0 37.294 36.804 28.193 1 2989 +ATOM O O ' ' LEU A 1 362 . 362 LEU A O 36.57 1.0 38.169 36.864002 29.069 1 2990 +ATOM C CB ' ' LEU A 1 362 . 362 LEU A CB 39.12 1.0 35.197 38.201 28.165 1 2991 +ATOM C CG ' ' LEU A 1 362 . 362 LEU A CG 47.61 1.0 34.923 38.432003 29.634003 1 2992 +ATOM C CD1 ' ' LEU A 1 362 . 362 LEU A CD1 48.94 1.0 35.872997 39.497 30.201004 1 2993 +ATOM C CD2 ' ' LEU A 1 362 . 362 LEU A CD2 40.84 1.0 33.445 38.866 29.755005 1 2994 +ATOM N N ' ' LEU A 1 363 . 363 LEU A N 32.38 1.0 36.941998 35.653 27.608002 1 2995 +ATOM C CA ' ' LEU A 1 363 . 363 LEU A CA 33.77 1.0 37.586998 34.385002 27.946 1 2996 +ATOM C C ' ' LEU A 1 363 . 363 LEU A C 31.67 1.0 39.077 34.373 27.601997 1 2997 +ATOM O O ' ' LEU A 1 363 . 363 LEU A O 30.88 1.0 39.86 33.704002 28.271004 1 2998 +ATOM C CB ' ' LEU A 1 363 . 363 LEU A CB 31.2 1.0 36.878 33.25 27.210999 1 2999 +ATOM C CG ' ' LEU A 1 363 . 363 LEU A CG 41.07 1.0 35.59 32.803 27.904999 1 3000 +ATOM C CD1 ' ' LEU A 1 363 . 363 LEU A CD1 40.89 1.0 34.753998 31.898 26.96 1 3001 +ATOM C CD2 ' ' LEU A 1 363 . 363 LEU A CD2 35.75 1.0 35.916 32.120003 29.271004 1 3002 +ATOM N N ' ' LYS A 1 364 . 364 LYS A N 29.18 1.0 39.489998 35.103 26.572998 1 3003 +ATOM C CA ' ' LYS A 1 364 . 364 LYS A CA 29.86 1.0 40.879997 35.036003 26.124 1 3004 +ATOM C C ' ' LYS A 1 364 . 364 LYS A C 30.53 1.0 41.84 35.633003 27.134003 1 3005 +ATOM O O ' ' LYS A 1 364 . 364 LYS A O 25.39 1.0 43.04 35.345 27.067001 1 3006 +ATOM C CB ' ' LYS A 1 364 . 364 LYS A CB 33.49 1.0 41.021 35.739002 24.760002 1 3007 +ATOM C CG ' ' LYS A 1 364 . 364 LYS A CG 34.35 1.0 40.622997 34.805 23.537003 1 3008 +ATOM C CD ' ' LYS A 1 364 . 364 LYS A CD 37.42 1.0 40.605 35.592003 22.215 1 3009 +ATOM C CE ' ' LYS A 1 364 . 364 LYS A CE 38.91 1.0 40.399 34.637 21.032001 1 3010 +ATOM N NZ ' ' LYS A 1 364 . 364 LYS A NZ 45.83 1.0 40.175 35.397003 19.748001 1 3011 +ATOM N N ' ' GLU A 1 365 . 365 GLU A N 30.53 1.0 41.364 36.428 28.090004 1 3012 +ATOM C CA ' ' GLU A 1 365 . 365 GLU A CA 29.51 1.0 42.276 36.956 29.107002 1 3013 +ATOM C C ' ' GLU A 1 365 . 365 GLU A C 29.56 1.0 42.443 36.042 30.323997 1 3014 +ATOM O O ' ' GLU A 1 365 . 365 GLU A O 33.69 1.0 43.182 36.4 31.252998 1 3015 +ATOM C CB ' ' GLU A 1 365 . 365 GLU A CB 33.45 1.0 41.807 38.334 29.580002 1 3016 +ATOM C CG ' ' GLU A 1 365 . 365 GLU A CG 33.93 1.0 41.694 39.301003 28.420998 1 3017 +ATOM C CD ' ' GLU A 1 365 . 365 GLU A CD 46.64 1.0 40.911 40.557003 28.746002 1 3018 +ATOM O OE1 ' ' GLU A 1 365 . 365 GLU A OE1 49.08 1.0 40.135 40.549004 29.720001 1 3019 +ATOM O OE2 ' ' GLU A 1 365 . 365 GLU A OE2 35.39 1.0 41.078 41.554 27.999 1 3020 +ATOM N N ' ' THR A 1 366 . 366 THR A N 26.84 1.0 41.779 34.896 30.347 1 3021 +ATOM C CA ' ' THR A 1 366 . 366 THR A CA 31.23 1.0 41.793 34.0 31.484001 1 3022 +ATOM C C ' ' THR A 1 366 . 366 THR A C 24.34 1.0 42.822998 32.914 31.241005 1 3023 +ATOM O O ' ' THR A 1 366 . 366 THR A O 22.4 1.0 43.497997 32.886 30.220001 1 3024 +ATOM C CB ' ' THR A 1 366 . 366 THR A CB 22.62 1.0 40.413998 33.388 31.706001 1 3025 +ATOM O OG1 ' ' THR A 1 366 . 366 THR A OG1 27.18 1.0 40.119 32.466003 30.652 1 3026 +ATOM C CG2 ' ' THR A 1 366 . 366 THR A CG2 32.5 1.0 39.386997 34.531002 31.581001 1 3027 +ATOM N N ' ' LYS A 1 367 . 367 LYS A N 24.32 1.0 42.919 31.999 32.196 1 3028 +ATOM C CA ' ' LYS A 1 367 . 367 LYS A CA 26.0 1.0 43.75 30.820002 32.006004 1 3029 +ATOM C C ' ' LYS A 1 367 . 367 LYS A C 23.05 1.0 43.091 29.767002 31.128998 1 3030 +ATOM O O ' ' LYS A 1 367 . 367 LYS A O 20.85 1.0 43.767998 28.834002 30.656998 1 3031 +ATOM C CB ' ' LYS A 1 367 . 367 LYS A CB 20.01 1.0 44.096 30.277 33.398003 1 3032 +ATOM C CG ' ' LYS A 1 367 . 367 LYS A CG 26.84 1.0 44.918 31.138 34.25 1 3033 +ATOM C CD ' ' LYS A 1 367 . 367 LYS A CD 28.96 1.0 45.18 30.350002 35.558 1 3034 +ATOM C CE ' ' LYS A 1 367 . 367 LYS A CE 36.47 1.0 45.919 31.184002 36.566 1 3035 +ATOM N NZ ' ' LYS A 1 367 . 367 LYS A NZ 36.61 1.0 46.343 30.260002 37.691 1 3036 +ATOM N N ' ' PHE A 1 368 . 368 PHE A N 18.29 1.0 41.792 29.901001 30.779999 1 3037 +ATOM C CA ' ' PHE A 1 368 . 368 PHE A CA 20.99 1.0 41.196 28.86 29.978004 1 3038 +ATOM C C ' ' PHE A 1 368 . 368 PHE A C 23.51 1.0 41.807 28.837002 28.576004 1 3039 +ATOM O O ' ' PHE A 1 368 . 368 PHE A O 24.79 1.0 42.274998 29.851002 28.078003 1 3040 +ATOM C CB ' ' PHE A 1 368 . 368 PHE A CB 23.7 1.0 39.667 29.059002 29.89 1 3041 +ATOM C CG ' ' PHE A 1 368 . 368 PHE A CG 19.22 1.0 38.996998 28.817001 31.220001 1 3042 +ATOM C CD1 ' ' PHE A 1 368 . 368 PHE A CD1 20.85 1.0 38.704998 27.518002 31.593002 1 3043 +ATOM C CD2 ' ' PHE A 1 368 . 368 PHE A CD2 21.93 1.0 38.679 29.882002 32.065002 1 3044 +ATOM C CE1 ' ' PHE A 1 368 . 368 PHE A CE1 21.26 1.0 38.115997 27.264002 32.829002 1 3045 +ATOM C CE2 ' ' PHE A 1 368 . 368 PHE A CE2 24.41 1.0 38.05 29.639002 33.309998 1 3046 +ATOM C CZ ' ' PHE A 1 368 . 368 PHE A CZ 18.81 1.0 37.795 28.312 33.68 1 3047 +ATOM N N ' ' ARG A 1 369 . 369 ARG A N 21.53 1.0 41.864 27.656002 27.992004 1 3048 +ATOM C CA ' ' ARG A 1 369 . 369 ARG A CA 27.38 1.0 42.374 27.469002 26.618004 1 3049 +ATOM C C ' ' ARG A 1 369 . 369 ARG A C 21.15 1.0 41.216 27.222002 25.662003 1 3050 +ATOM O O ' ' ARG A 1 369 . 369 ARG A O 25.42 1.0 40.712997 26.098001 25.594002 1 3051 +ATOM C CB ' ' ARG A 1 369 . 369 ARG A CB 29.69 1.0 43.34 26.296001 26.577003 1 3052 +ATOM C CG ' ' ARG A 1 369 . 369 ARG A CG 51.34 1.0 44.417 26.481003 27.710999 1 3053 +ATOM C CD ' ' ARG A 1 369 . 369 ARG A CD 56.07 1.0 45.598 25.465 27.700005 1 3054 +ATOM N NE ' ' ARG A 1 369 . 369 ARG A NE 55.48 1.0 45.167 24.074001 27.720001 1 3055 +ATOM C CZ ' ' ARG A 1 369 . 369 ARG A CZ 61.07 1.0 44.959 23.368002 26.617004 1 3056 +ATOM N NH1 ' ' ARG A 1 369 . 369 ARG A NH1 53.97 1.0 45.111 23.912003 25.418 1 3057 +ATOM N NH2 ' ' ARG A 1 369 . 369 ARG A NH2 60.83 1.0 44.587997 22.092003 26.719002 1 3058 +ATOM N N ' ' ILE A 1 370 . 370 ILE A N 24.93 1.0 40.843 28.225002 24.875 1 3059 +ATOM C CA ' ' ILE A 1 370 . 370 ILE A CA 25.66 1.0 39.745 28.035002 23.916 1 3060 +ATOM C C ' ' ILE A 1 370 . 370 ILE A C 25.0 1.0 40.247997 27.274002 22.709 1 3061 +ATOM O O ' ' ILE A 1 370 . 370 ILE A O 30.97 1.0 41.125 27.759 22.008 1 3062 +ATOM C CB ' ' ILE A 1 370 . 370 ILE A CB 30.07 1.0 39.141 29.363 23.478 1 3063 +ATOM C CG1 ' ' ILE A 1 370 . 370 ILE A CG1 32.2 1.0 38.739998 30.179 24.689003 1 3064 +ATOM C CG2 ' ' ILE A 1 370 . 370 ILE A CG2 31.91 1.0 37.939 29.079002 22.526001 1 3065 +ATOM C CD1 ' ' ILE A 1 370 . 370 ILE A CD1 46.33 1.0 38.254997 31.549002 24.298 1 3066 +ATOM N N ' ' LEU A 1 371 . 371 LEU A N 25.95 1.0 39.718 26.081001 22.490002 1 3067 +ATOM C CA ' ' LEU A 1 371 . 371 LEU A CA 26.7 1.0 40.198997 25.201 21.435001 1 3068 +ATOM C C ' ' LEU A 1 371 . 371 LEU A C 35.15 1.0 39.673 25.633001 20.086002 1 3069 +ATOM O O ' ' LEU A 1 371 . 371 LEU A O 30.33 1.0 40.398 25.549002 19.082 1 3070 +ATOM C CB ' ' LEU A 1 371 . 371 LEU A CB 29.62 1.0 39.765 23.771002 21.666 1 3071 +ATOM C CG ' ' LEU A 1 371 . 371 LEU A CG 26.25 1.0 40.225998 23.097 22.942001 1 3072 +ATOM C CD1 ' ' LEU A 1 371 . 371 LEU A CD1 31.87 1.0 39.844997 21.678001 22.904 1 3073 +ATOM C CD2 ' ' LEU A 1 371 . 371 LEU A CD2 34.15 1.0 41.754997 23.249 23.141003 1 3074 +ATOM N N ' ' SER A 1 372 . 372 SER A N 28.45 1.0 38.420998 26.093002 20.052002 1 3075 +ATOM C CA ' ' SER A 1 372 . 372 SER A CA 29.01 1.0 37.776 26.505001 18.809002 1 3076 +ATOM C C ' ' SER A 1 372 . 372 SER A C 36.43 1.0 36.522 27.303001 19.143002 1 3077 +ATOM O O ' ' SER A 1 372 . 372 SER A O 27.22 1.0 35.975 27.211002 20.256 1 3078 +ATOM C CB ' ' SER A 1 372 . 372 SER A CB 36.85 1.0 37.411 25.321001 17.902 1 3079 +ATOM O OG ' ' SER A 1 372 . 372 SER A OG 33.75 1.0 36.333 24.502003 18.382 1 3080 +ATOM N N ' ' PHE A 1 373 . 373 PHE A N 31.71 1.0 36.09 28.097002 18.164001 1 3081 +ATOM C CA ' ' PHE A 1 373 . 373 PHE A CA 30.96 1.0 34.79 28.765001 18.155003 1 3082 +ATOM C C ' ' PHE A 1 373 . 373 PHE A C 35.15 1.0 33.937 28.192001 17.023003 1 3083 +ATOM O O ' ' PHE A 1 373 . 373 PHE A O 31.25 1.0 34.432 27.959002 15.903 1 3084 +ATOM C CB A PHE A 1 373 . 373 PHE A CB 33.58 0.5 34.934 30.272001 18.008 1 3085 +ATOM C CG A PHE A 1 373 . 373 PHE A CG 33.79 0.5 33.627 30.977001 17.853 1 3086 +ATOM C CD1 A PHE A 1 373 . 373 PHE A CD1 27.56 0.5 32.908 31.394001 18.970001 1 3087 +ATOM C CD2 A PHE A 1 373 . 373 PHE A CD2 30.02 0.5 33.093 31.204002 16.583 1 3088 +ATOM C CE1 A PHE A 1 373 . 373 PHE A CE1 29.14 0.5 31.683998 32.059002 18.817001 1 3089 +ATOM C CE2 A PHE A 1 373 . 373 PHE A CE2 33.03 0.5 31.870998 31.839 16.436 1 3090 +ATOM C CZ A PHE A 1 373 . 373 PHE A CZ 29.98 0.5 31.168999 32.269 17.559002 1 3091 +ATOM C CB B PHE A 1 373 . 373 PHE A CB 33.59 0.5 34.926 30.281002 17.953003 1 3092 +ATOM C CG B PHE A 1 373 . 373 PHE A CG 34.49 0.5 35.697 31.009 19.035 1 3093 +ATOM C CD1 B PHE A 1 373 . 373 PHE A CD1 35.33 0.5 37.083 31.004002 19.056 1 3094 +ATOM C CD2 B PHE A 1 373 . 373 PHE A CD2 33.91 0.5 35.033 31.756 20.0 1 3095 +ATOM C CE1 B PHE A 1 373 . 373 PHE A CE1 35.4 0.5 37.783 31.705002 20.036 1 3096 +ATOM C CE2 B PHE A 1 373 . 373 PHE A CE2 32.92 0.5 35.736 32.448 20.981003 1 3097 +ATOM C CZ B PHE A 1 373 . 373 PHE A CZ 32.39 0.5 37.107998 32.420002 20.995003 1 3098 +ATOM N N ' ' THR A 1 374 . 374 THR A N 30.37 1.0 32.663 27.938002 17.309002 1 3099 +ATOM C CA ' ' THR A 1 374 . 374 THR A CA 29.26 1.0 31.758 27.36 16.319 1 3100 +ATOM C C ' ' THR A 1 374 . 374 THR A C 38.32 1.0 30.501 28.222002 16.215 1 3101 +ATOM O O ' ' THR A 1 374 . 374 THR A O 26.21 1.0 29.898998 28.595001 17.227001 1 3102 +ATOM C CB ' ' THR A 1 374 . 374 THR A CB 32.01 1.0 31.376 25.923 16.668 1 3103 +ATOM O OG1 ' ' THR A 1 374 . 374 THR A OG1 36.41 1.0 32.538 25.099003 16.727001 1 3104 +ATOM C CG2 ' ' THR A 1 374 . 374 THR A CG2 36.08 1.0 30.413998 25.327002 15.602001 1 3105 +ATOM N N ' ' GLU A 1 375 . 375 GLU A N 33.64 1.0 30.084 28.531002 14.998001 1 3106 +ATOM C CA ' ' GLU A 1 375 . 375 GLU A CA 35.56 1.0 28.979 29.464 14.842003 1 3107 +ATOM C C ' ' GLU A 1 375 . 375 GLU A C 37.2 1.0 27.640999 28.723001 14.915001 1 3108 +ATOM O O ' ' GLU A 1 375 . 375 GLU A O 36.6 1.0 27.488998 27.661001 14.315002 1 3109 +ATOM C CB ' ' GLU A 1 375 . 375 GLU A CB 35.57 1.0 29.092999 30.209002 13.518002 1 3110 +ATOM C CG ' ' GLU A 1 375 . 375 GLU A CG 48.12 1.0 27.929 31.171001 13.311001 1 3111 +ATOM C CD ' ' GLU A 1 375 . 375 GLU A CD 62.18 1.0 27.913998 31.765001 11.901001 1 3112 +ATOM O OE1 ' ' GLU A 1 375 . 375 GLU A OE1 72.13 1.0 28.842999 31.462002 11.118 1 3113 +ATOM O OE2 ' ' GLU A 1 375 . 375 GLU A OE2 65.68 1.0 26.978 32.533 11.581001 1 3114 +ATOM N N ' ' ILE A 1 376 . 376 ILE A N 34.04 1.0 26.701 29.261002 15.696003 1 3115 +ATOM C CA ' ' ILE A 1 376 . 376 ILE A CA 33.23 1.0 25.348999 28.721 15.817001 1 3116 +ATOM C C ' ' ILE A 1 376 . 376 ILE A C 29.93 1.0 24.515 29.478 14.805 1 3117 +ATOM O O ' ' ILE A 1 376 . 376 ILE A O 32.89 1.0 24.418999 30.705002 14.903 1 3118 +ATOM C CB ' ' ILE A 1 376 . 376 ILE A CB 35.98 1.0 24.780998 28.920002 17.241001 1 3119 +ATOM C CG1 ' ' ILE A 1 376 . 376 ILE A CG1 31.2 1.0 25.565998 28.104002 18.272 1 3120 +ATOM C CG2 ' ' ILE A 1 376 . 376 ILE A CG2 29.82 1.0 23.27 28.505001 17.314003 1 3121 +ATOM C CD1 ' ' ILE A 1 376 . 376 ILE A CD1 30.49 1.0 25.357998 28.651001 19.734001 1 3122 +ATOM N N ' ' LYS A 1 377 . 377 LYS A N 35.36 1.0 24.008999 28.766003 13.807003 1 3123 +ATOM C CA ' ' LYS A 1 377 . 377 LYS A CA 42.9 1.0 23.175999 29.312 12.749001 1 3124 +ATOM C C ' ' LYS A 1 377 . 377 LYS A C 49.22 1.0 21.778 28.712002 12.839001 1 3125 +ATOM O O ' ' LYS A 1 377 . 377 LYS A O 44.04 1.0 21.588001 27.596 13.346001 1 3126 +ATOM C CB ' ' LYS A 1 377 . 377 LYS A CB 45.22 1.0 23.764 28.996002 11.361 1 3127 +ATOM C CG ' ' LYS A 1 377 . 377 LYS A CG 44.14 1.0 25.179 29.458002 11.145 1 3128 +ATOM C CD ' ' LYS A 1 377 . 377 LYS A CD 54.54 1.0 25.633 29.082 9.736 1 3129 +ATOM C CE ' ' LYS A 1 377 . 377 LYS A CE 66.94 1.0 26.919998 29.810001 9.349003 1 3130 +ATOM N NZ ' ' LYS A 1 377 . 377 LYS A NZ 69.49 1.0 27.182999 29.769001 7.8740005 1 3131 +ATOM N N ' ' GLY A 1 378 . 378 GLY A N 41.2 1.0 20.794998 29.434002 12.285999 1 3132 +ATOM C CA ' ' GLY A 1 378 . 378 GLY A CA 33.98 1.0 19.446 28.897001 12.268002 1 3133 +ATOM C C ' ' GLY A 1 378 . 378 GLY A C 55.81 1.0 19.34 27.782001 11.252003 1 3134 +ATOM O O ' ' GLY A 1 378 . 378 GLY A O 54.86 1.0 19.826 26.672 11.505001 1 3135 +ATOM N N ' ' SER A 1 379 . 379 SER A N 40.16 1.0 18.693 28.067001 10.107002 1 3136 +ATOM C CA ' ' SER A 1 379 . 379 SER A CA 56.68 1.0 18.780998 27.276001 8.877003 1 3137 +ATOM C C ' ' SER A 1 379 . 379 SER A C 53.07 1.0 20.223999 27.026001 8.429001 1 3138 +ATOM O O ' ' SER A 1 379 . 379 SER A O 70.27 1.0 21.161 27.501001 9.077 1 3139 +ATOM C CB ' ' SER A 1 379 . 379 SER A CB 50.21 1.0 18.028 28.001001 7.738003 1 3140 +ATOM O OG ' ' SER A 1 379 . 379 SER A OG 45.46 1.0 18.726002 29.205002 7.3860016 1 3141 +ATOM N N ' ' ASN A 1 380 . 380 ASN A N 49.45 1.0 20.411999 26.241001 7.3759995 1 3142 +ATOM C CA ' ' ASN A 1 380 . 380 ASN A CA 58.93 1.0 21.674 26.130001 6.6119995 1 3143 +ATOM C C ' ' ASN A 1 380 . 380 ASN A C 70.49 1.0 22.904999 25.849003 7.493 1 3144 +ATOM O O ' ' ASN A 1 380 . 380 ASN A O 68.68 1.0 24.056 26.118002 7.111 1 3145 +ATOM C CB ' ' ASN A 1 380 . 380 ASN A CB 62.79 1.0 21.893002 27.368002 5.731003 1 3146 +ATOM C CG ' ' ASN A 1 380 . 380 ASN A CG 75.41 1.0 22.528 28.559002 6.477001 1 3147 +ATOM O OD1 ' ' ASN A 1 380 . 380 ASN A OD1 55.65 1.0 22.051998 28.999 7.526001 1 3148 +ATOM N ND2 ' ' ASN A 1 380 . 380 ASN A ND2 81.89 1.0 23.608002 29.103 5.899002 1 3149 +HETATM N N ' ' MSE A 1 381 . 381 MSE A N 54.04 1.0 22.712002 25.251001 8.653 1 3150 +HETATM C CA ' ' MSE A 1 381 . 381 MSE A CA 62.91 1.0 23.891998 24.991001 9.436001 1 3151 +HETATM C C ' ' MSE A 1 381 . 381 MSE A C 61.63 1.0 24.460999 23.612001 9.184002 1 3152 +HETATM O O ' ' MSE A 1 381 . 381 MSE A O 55.1 1.0 23.735 22.613003 9.059002 1 3153 +HETATM C CB ' ' MSE A 1 381 . 381 MSE A CB 43.93 1.0 23.652 25.157001 10.927002 1 3154 +HETATM C CG ' ' MSE A 1 381 . 381 MSE A CG 65.37 1.0 24.995998 25.212002 11.589001 1 3155 +HETATM Se SE ' ' MSE A 1 381 . 381 MSE A SE 52.18 1.0 24.848999 25.252003 13.491001 1 3156 +HETATM C CE ' ' MSE A 1 381 . 381 MSE A CE 53.93 1.0 23.755001 23.640001 13.667 1 3157 +ATOM N N ' ' ASP A 1 382 . 382 ASP A N 62.47 1.0 25.79 23.579002 9.127003 1 3158 +ATOM C CA ' ' ASP A 1 382 . 382 ASP A CA 57.85 1.0 26.537998 22.341002 8.971001 1 3159 +ATOM C C ' ' ASP A 1 382 . 382 ASP A C 50.91 1.0 26.647999 21.684002 10.343002 1 3160 +ATOM O O ' ' ASP A 1 382 . 382 ASP A O 49.97 1.0 27.568 21.948002 11.1119995 1 3161 +ATOM C CB ' ' ASP A 1 382 . 382 ASP A CB 52.62 1.0 27.904 22.627003 8.349003 1 3162 +ATOM C CG ' ' ASP A 1 382 . 382 ASP A CG 51.06 1.0 28.596 21.371002 7.8770027 1 3163 +ATOM O OD1 ' ' ASP A 1 382 . 382 ASP A OD1 44.53 1.0 28.006 20.269001 8.030003 1 3164 +ATOM O OD2 ' ' ASP A 1 382 . 382 ASP A OD2 60.63 1.0 29.726997 21.481003 7.3600006 1 3165 +ATOM N N ' ' GLU A 1 383 . 383 GLU A N 48.01 1.0 25.709 20.783 10.641003 1 3166 +ATOM C CA ' ' GLU A 1 383 . 383 GLU A CA 47.59 1.0 25.799 20.030003 11.884003 1 3167 +ATOM C C ' ' GLU A 1 383 . 383 GLU A C 46.71 1.0 27.115997 19.284 12.031002 1 3168 +ATOM O O ' ' GLU A 1 383 . 383 GLU A O 40.22 1.0 27.443 18.87 13.150002 1 3169 +ATOM C CB ' ' GLU A 1 383 . 383 GLU A CB 43.99 1.0 24.655998 19.031002 11.999001 1 3170 +ATOM N N ' ' ARG A 1 384 . 384 ARG A N 37.01 1.0 27.869 19.072002 10.935001 1 3171 +ATOM C CA ' ' ARG A 1 384 . 384 ARG A CA 44.37 1.0 29.128998 18.346 11.071003 1 3172 +ATOM C C ' ' ARG A 1 384 . 384 ARG A C 41.04 1.0 30.168 19.170002 11.826 1 3173 +ATOM O O ' ' ARG A 1 384 . 384 ARG A O 40.93 1.0 31.139 18.607002 12.34 1 3174 +ATOM C CB ' ' ARG A 1 384 . 384 ARG A CB 42.51 1.0 29.665 17.937002 9.698002 1 3175 +ATOM C CG ' ' ARG A 1 384 . 384 ARG A CG 52.82 1.0 28.855999 16.858002 8.967003 1 3176 +ATOM C CD ' ' ARG A 1 384 . 384 ARG A CD 53.47 1.0 29.478 16.635002 7.583 1 3177 +ATOM N NE ' ' ARG A 1 384 . 384 ARG A NE 62.06 1.0 29.619 17.908 6.8860016 1 3178 +ATOM C CZ ' ' ARG A 1 384 . 384 ARG A CZ 73.12 1.0 30.16 18.064001 5.6830025 1 3179 +ATOM N NH1 ' ' ARG A 1 384 . 384 ARG A NH1 61.96 1.0 30.648998 17.033 5.0 1 3180 +ATOM N NH2 ' ' ARG A 1 384 . 384 ARG A NH2 65.89 1.0 30.219997 19.287003 5.1539993 1 3181 +ATOM N N ' ' LYS A 1 385 . 385 LYS A N 37.12 1.0 29.974998 20.484001 11.913002 1 3182 +ATOM C CA ' ' LYS A 1 385 . 385 LYS A CA 40.94 1.0 30.881 21.322002 12.692001 1 3183 +ATOM C C ' ' LYS A 1 385 . 385 LYS A C 36.27 1.0 30.696 21.138 14.199001 1 3184 +ATOM O O ' ' LYS A 1 385 . 385 LYS A O 39.2 1.0 31.621998 21.419003 14.968002 1 3185 +ATOM C CB ' ' LYS A 1 385 . 385 LYS A CB 42.86 1.0 30.684998 22.774002 12.313 1 3186 +ATOM C CG ' ' LYS A 1 385 . 385 LYS A CG 47.47 1.0 31.136997 23.062 10.8880005 1 3187 +ATOM C CD ' ' LYS A 1 385 . 385 LYS A CD 40.53 1.0 31.208 24.552002 10.639999 1 3188 +ATOM C CE ' ' LYS A 1 385 . 385 LYS A CE 56.61 1.0 31.815998 24.854 9.27 1 3189 +ATOM N NZ ' ' LYS A 1 385 . 385 LYS A NZ 67.38 1.0 33.151 24.177002 9.086002 1 3190 +ATOM N N ' ' ILE A 1 386 . 386 ILE A N 38.41 1.0 29.538998 20.644001 14.632999 1 3191 +ATOM C CA ' ' ILE A 1 386 . 386 ILE A CA 38.74 1.0 29.349998 20.338001 16.047 1 3192 +ATOM C C ' ' ILE A 1 386 . 386 ILE A C 42.59 1.0 30.166 19.117 16.408 1 3193 +ATOM O O ' ' ILE A 1 386 . 386 ILE A O 32.24 1.0 30.974998 19.144001 17.336002 1 3194 +ATOM C CB ' ' ILE A 1 386 . 386 ILE A CB 33.97 1.0 27.861 20.123001 16.366001 1 3195 +ATOM C CG1 ' ' ILE A 1 386 . 386 ILE A CG1 36.51 1.0 27.07 21.395 16.039001 1 3196 +ATOM C CG2 ' ' ILE A 1 386 . 386 ILE A CG2 34.1 1.0 27.672 19.625002 17.835003 1 3197 +ATOM C CD1 ' ' ILE A 1 386 . 386 ILE A CD1 40.75 1.0 25.536999 21.163002 15.954002 1 3198 +ATOM N N ' ' GLU A 1 387 . 387 GLU A N 37.54 1.0 29.999 18.043001 15.634003 1 3199 +ATOM C CA ' ' GLU A 1 387 . 387 GLU A CA 37.85 1.0 30.767998 16.826002 15.846001 1 3200 +ATOM C C ' ' GLU A 1 387 . 387 GLU A C 36.04 1.0 32.264 17.102001 15.722 1 3201 +ATOM O O ' ' GLU A 1 387 . 387 GLU A O 39.56 1.0 33.07 16.550001 16.474003 1 3202 +ATOM C CB ' ' GLU A 1 387 . 387 GLU A CB 45.36 1.0 30.301998 15.774002 14.829002 1 3203 +ATOM C CG ' ' GLU A 1 387 . 387 GLU A CG 56.73 1.0 31.217 14.586002 14.670002 1 3204 +ATOM C CD ' ' GLU A 1 387 . 387 GLU A CD 70.61 1.0 31.189999 13.668001 15.873001 1 3205 +ATOM O OE1 ' ' GLU A 1 387 . 387 GLU A OE1 66.35 1.0 30.163998 13.666002 16.608002 1 3206 +ATOM O OE2 ' ' GLU A 1 387 . 387 GLU A OE2 69.54 1.0 32.203 12.956001 16.067001 1 3207 +ATOM N N ' ' GLU A 1 388 . 388 GLU A N 34.92 1.0 32.653 18.002 14.818001 1 3208 +ATOM C CA ' ' GLU A 1 388 . 388 GLU A CA 36.18 1.0 34.068 18.339 14.700001 1 3209 +ATOM C C ' ' GLU A 1 388 . 388 GLU A C 39.72 1.0 34.606 18.922 16.007 1 3210 +ATOM O O ' ' GLU A 1 388 . 388 GLU A O 35.24 1.0 35.718 18.592001 16.434002 1 3211 +ATOM C CB ' ' GLU A 1 388 . 388 GLU A CB 40.12 1.0 34.246998 19.337002 13.576 1 3212 +ATOM C CG ' ' GLU A 1 388 . 388 GLU A CG 50.52 1.0 35.613 19.953001 13.417999 1 3213 +ATOM C CD ' ' GLU A 1 388 . 388 GLU A CD 75.57 1.0 35.764 20.718002 12.087002 1 3214 +ATOM O OE1 ' ' GLU A 1 388 . 388 GLU A OE1 73.12 1.0 34.744 21.253002 11.576 1 3215 +ATOM O OE2 ' ' GLU A 1 388 . 388 GLU A OE2 88.57 1.0 36.899998 20.776001 11.5510025 1 3216 +ATOM N N ' ' ALA A 1 389 . 389 ALA A N 33.43 1.0 33.84 19.822002 16.637001 1 3217 +ATOM C CA ' ' ALA A 1 389 . 389 ALA A CA 27.09 1.0 34.298 20.463001 17.867 1 3218 +ATOM C C ' ' ALA A 1 389 . 389 ALA A C 27.99 1.0 34.409 19.462002 19.005001 1 3219 +ATOM O O ' ' ALA A 1 389 . 389 ALA A O 30.31 1.0 35.416 19.447002 19.763 1 3220 +ATOM C CB ' ' ALA A 1 389 . 389 ALA A CB 33.26 1.0 33.343 21.620003 18.183002 1 3221 +ATOM N N ' ' ILE A 1 390 . 390 ILE A N 24.83 1.0 33.403 18.608002 19.159 1 3222 +ATOM C CA ' ' ILE A 1 390 . 390 ILE A CA 28.33 1.0 33.468 17.635002 20.234001 1 3223 +ATOM C C ' ' ILE A 1 390 . 390 ILE A C 36.98 1.0 34.635 16.680002 19.998001 1 3224 +ATOM O O ' ' ILE A 1 390 . 390 ILE A O 30.67 1.0 35.333 16.286001 20.940002 1 3225 +ATOM C CB ' ' ILE A 1 390 . 390 ILE A CB 28.24 1.0 32.124 16.884 20.394001 1 3226 +ATOM C CG1 ' ' ILE A 1 390 . 390 ILE A CG1 29.66 1.0 30.948997 17.851002 20.612 1 3227 +ATOM C CG2 ' ' ILE A 1 390 . 390 ILE A CG2 31.65 1.0 32.18 15.927002 21.556 1 3228 +ATOM C CD1 ' ' ILE A 1 390 . 390 ILE A CD1 30.57 1.0 31.086998 18.838001 21.759003 1 3229 +ATOM N N ' ' SER A 1 391 . 391 SER A N 35.89 1.0 34.898 16.322002 18.735 1 3230 +ATOM C CA ' ' SER A 1 391 . 391 SER A CA 36.06 1.0 36.029 15.428001 18.473 1 3231 +ATOM C C ' ' SER A 1 391 . 391 SER A C 33.13 1.0 37.350998 16.111002 18.774002 1 3232 +ATOM O O ' ' SER A 1 391 . 391 SER A O 34.85 1.0 38.291 15.467001 19.272 1 3233 +ATOM C CB ' ' SER A 1 391 . 391 SER A CB 39.17 1.0 35.999 14.948002 17.027 1 3234 +ATOM O OG ' ' SER A 1 391 . 391 SER A OG 40.83 1.0 34.885998 14.088001 16.883 1 3235 +ATOM N N ' ' LEU A 1 392 . 392 LEU A N 29.1 1.0 37.44 17.409002 18.487 1 3236 +ATOM C CA ' ' LEU A 1 392 . 392 LEU A CA 31.16 1.0 38.653 18.148 18.816002 1 3237 +ATOM C C ' ' LEU A 1 392 . 392 LEU A C 33.73 1.0 38.915 18.141 20.326 1 3238 +ATOM O O ' ' LEU A 1 392 . 392 LEU A O 32.9 1.0 40.059 17.927002 20.79 1 3239 +ATOM C CB ' ' LEU A 1 392 . 392 LEU A CB 33.51 1.0 38.502 19.571001 18.309002 1 3240 +ATOM C CG ' ' LEU A 1 392 . 392 LEU A CG 36.43 1.0 39.654 20.563002 18.524002 1 3241 +ATOM C CD1 ' ' LEU A 1 392 . 392 LEU A CD1 42.97 1.0 40.847 20.118002 17.711002 1 3242 +ATOM C CD2 ' ' LEU A 1 392 . 392 LEU A CD2 40.89 1.0 39.217 21.933002 18.063 1 3243 +ATOM N N ' ' LEU A 1 393 . 393 LEU A N 29.26 1.0 37.854 18.342001 21.111 1 3244 +ATOM C CA ' ' LEU A 1 393 . 393 LEU A CA 30.23 1.0 37.979 18.288002 22.566002 1 3245 +ATOM C C ' ' LEU A 1 393 . 393 LEU A C 29.35 1.0 38.426 16.911001 23.025002 1 3246 +ATOM O O ' ' LEU A 1 393 . 393 LEU A O 30.35 1.0 39.29 16.776001 23.905003 1 3247 +ATOM C CB ' ' LEU A 1 393 . 393 LEU A CB 28.86 1.0 36.621998 18.652002 23.188 1 3248 +ATOM C CG ' ' LEU A 1 393 . 393 LEU A CG 25.13 1.0 36.566998 18.682001 24.711998 1 3249 +ATOM C CD1 ' ' LEU A 1 393 . 393 LEU A CD1 24.9 1.0 37.626 19.711002 25.244003 1 3250 +ATOM C CD2 ' ' LEU A 1 393 . 393 LEU A CD2 23.11 1.0 35.11 19.061 25.141998 1 3251 +ATOM N N ' ' LYS A 1 394 . 394 LYS A N 31.8 1.0 37.821 15.864002 22.457 1 3252 +ATOM C CA ' ' LYS A 1 394 . 394 LYS A CA 34.11 1.0 38.184 14.508001 22.845001 1 3253 +ATOM C C ' ' LYS A 1 394 . 394 LYS A C 37.18 1.0 39.659 14.257002 22.581001 1 3254 +ATOM O O ' ' LYS A 1 394 . 394 LYS A O 39.11 1.0 40.372997 13.739002 23.446003 1 3255 +ATOM C CB ' ' LYS A 1 394 . 394 LYS A CB 36.34 1.0 37.327 13.487001 22.095001 1 3256 +ATOM C CG ' ' LYS A 1 394 . 394 LYS A CG 43.45 1.0 37.471 12.082001 22.663002 1 3257 +ATOM C CD ' ' LYS A 1 394 . 394 LYS A CD 48.68 1.0 36.986 11.071001 21.676003 1 3258 +ATOM C CE ' ' LYS A 1 394 . 394 LYS A CE 61.13 1.0 37.187 9.641001 22.18 1 3259 +ATOM N NZ ' ' LYS A 1 394 . 394 LYS A NZ 60.3 1.0 36.336 9.340002 23.368 1 3260 +ATOM N N ' ' LYS A 1 395 . 395 LYS A N 35.87 1.0 40.146 14.692001 21.420002 1 3261 +ATOM C CA ' ' LYS A 1 395 . 395 LYS A CA 39.12 1.0 41.559 14.507002 21.092003 1 3262 +ATOM C C ' ' LYS A 1 395 . 395 LYS A C 43.81 1.0 42.451 15.308001 22.041 1 3263 +ATOM O O ' ' LYS A 1 395 . 395 LYS A O 38.4 1.0 43.509 14.826002 22.48 1 3264 +ATOM C CB ' ' LYS A 1 395 . 395 LYS A CB 46.81 1.0 41.802998 14.899002 19.64 1 3265 +ATOM C CG ' ' LYS A 1 395 . 395 LYS A CG 53.57 1.0 43.211 14.643002 19.152 1 3266 +ATOM C CD ' ' LYS A 1 395 . 395 LYS A CD 59.31 1.0 43.279 14.819002 17.638 1 3267 +ATOM C CE ' ' LYS A 1 395 . 395 LYS A CE 58.19 1.0 44.66 14.483002 17.094002 1 3268 +ATOM N NZ ' ' LYS A 1 395 . 395 LYS A NZ 67.15 1.0 45.676 15.377001 17.699001 1 3269 +ATOM N N ' ' GLU A 1 396 . 396 GLU A N 33.57 1.0 42.027 16.519001 22.394001 1 3270 +ATOM C CA ' ' GLU A 1 396 . 396 GLU A CA 37.81 1.0 42.795998 17.326002 23.334 1 3271 +ATOM C C ' ' GLU A 1 396 . 396 GLU A C 34.88 1.0 42.854 16.680002 24.719002 1 3272 +ATOM O O ' ' GLU A 1 396 . 396 GLU A O 43.39 1.0 43.872997 16.765001 25.406998 1 3273 +ATOM C CB ' ' GLU A 1 396 . 396 GLU A CB 43.38 1.0 42.190998 18.728 23.41 1 3274 +ATOM C CG ' ' GLU A 1 396 . 396 GLU A CG 53.22 1.0 43.013 19.684002 24.232002 1 3275 +ATOM C CD ' ' GLU A 1 396 . 396 GLU A CD 72.19 1.0 44.215 20.255001 23.465 1 3276 +ATOM O OE1 ' ' GLU A 1 396 . 396 GLU A OE1 69.38 1.0 44.264 20.134003 22.219002 1 3277 +ATOM O OE2 ' ' GLU A 1 396 . 396 GLU A OE2 78.27 1.0 45.11 20.84 24.118 1 3278 +ATOM N N ' ' LEU A 1 397 . 397 LEU A N 30.79 1.0 41.781998 16.024002 25.150002 1 3279 +ATOM C CA ' ' LEU A 1 397 . 397 LEU A CA 41.71 1.0 41.777 15.435001 26.483002 1 3280 +ATOM C C ' ' LEU A 1 397 . 397 LEU A C 46.4 1.0 42.493 14.102001 26.516998 1 3281 +ATOM O O ' ' LEU A 1 397 . 397 LEU A O 41.58 1.0 42.822 13.625002 27.606003 1 3282 +ATOM C CB ' ' LEU A 1 397 . 397 LEU A CB 32.26 1.0 40.344997 15.262001 27.013 1 3283 +ATOM C CG ' ' LEU A 1 397 . 397 LEU A CG 33.63 1.0 39.718998 16.648 27.232002 1 3284 +ATOM C CD1 ' ' LEU A 1 397 . 397 LEU A CD1 34.38 1.0 38.257 16.537 27.521004 1 3285 +ATOM C CD2 ' ' LEU A 1 397 . 397 LEU A CD2 27.28 1.0 40.466 17.365002 28.408005 1 3286 +ATOM N N ' ' GLU A 1 398 . 398 GLU A N 43.47 1.0 42.725998 13.491001 25.361 1 3287 +ATOM C CA ' ' GLU A 1 398 . 398 GLU A CA 53.99 1.0 43.408 12.196001 25.302002 1 3288 +ATOM C C ' ' GLU A 1 398 . 398 GLU A C 58.29 1.0 44.923 12.404001 25.390999 1 3289 +ATOM O O ' ' GLU A 1 398 . 398 GLU A O 64.59 1.0 45.488 12.508001 26.474998 1 3290 +ATOM C CB ' ' GLU A 1 398 . 398 GLU A CB 45.75 1.0 43.075 11.442001 24.011002 1 3291 +ATOM C CG ' ' GLU A 1 398 . 398 GLU A CG 57.56 1.0 41.69 10.871002 23.911 1 3292 +ATOM C CD ' ' GLU A 1 398 . 398 GLU A CD 69.81 1.0 41.363 10.398001 22.472 1 3293 +ATOM O OE1 ' ' GLU A 1 398 . 398 GLU A OE1 66.12 1.0 42.122997 10.731001 21.524002 1 3294 +ATOM O OE2 ' ' GLU A 1 398 . 398 GLU A OE2 77.92 1.0 40.339 9.706001 22.286 1 3295 +HETATM Cl CL ' ' CL A 1 399 . 399 CL A CL 19.59 1.0 27.384998 41.435 35.755005 1 3296 +HETATM Cl CL ' ' CL A 1 400 . 400 CL A CL 26.08 1.0 18.557 31.093002 20.803001 1 3297 +HETATM O O ' ' FEO A 1 401 . 401 FEO A O 19.49 1.0 33.542 34.307003 57.484 1 3298 +HETATM Fe FE1 ' ' FEO A 1 401 . 401 FEO A FE1 41.16 1.0 34.753 34.854 56.155 1 3299 +HETATM Fe FE2 ' ' FEO A 1 401 . 401 FEO A FE2 16.03 1.0 32.865997 32.508003 57.638 1 3300 +HETATM C C1 ' ' EDO A 1 402 . 402 EDO A C1 54.07 1.0 38.862 33.141003 86.536 1 3301 +HETATM C C2 ' ' EDO A 1 402 . 402 EDO A C2 53.04 1.0 37.654 33.783 87.197 1 3302 +HETATM O O1 ' ' EDO A 1 402 . 402 EDO A O1 55.53 1.0 38.836 31.726002 86.668 1 3303 +HETATM O O2 ' ' EDO A 1 402 . 402 EDO A O2 46.01 1.0 38.089 34.703003 88.173004 1 3304 +HETATM C C1 ' ' EDO A 1 403 . 403 EDO A C1 49.8 1.0 20.938 34.617 12.98 1 3305 +HETATM C C2 ' ' EDO A 1 403 . 403 EDO A C2 46.41 1.0 20.539001 33.366 13.762001 1 3306 +HETATM O O1 ' ' EDO A 1 403 . 403 EDO A O1 45.53 1.0 20.675999 34.421 11.585003 1 3307 +HETATM O O2 ' ' EDO A 1 403 . 403 EDO A O2 43.75 1.0 20.999 32.208 13.074001 1 3308 +HETATM O O ' ' HOH A 1 404 . 404 HOH A O 16.23 1.0 28.083 24.426003 57.237 1 3309 +HETATM O O ' ' HOH A 1 405 . 405 HOH A O 18.38 1.0 34.433 21.11 57.405 1 3310 +HETATM O O ' ' HOH A 1 406 . 406 HOH A O 22.3 1.0 40.182 31.909 40.58 1 3311 +HETATM O O ' ' HOH A 1 407 . 407 HOH A O 21.94 1.0 29.975998 20.329002 62.980003 1 3312 +HETATM O O ' ' HOH A 1 408 . 408 HOH A O 24.25 1.0 32.724 32.472 55.340004 1 3313 +HETATM O O ' ' HOH A 1 409 . 409 HOH A O 22.3 1.0 20.809002 38.974003 47.535004 1 3314 +HETATM O O ' ' HOH A 1 410 . 410 HOH A O 20.84 1.0 42.273 37.985 63.424004 1 3315 +HETATM O O ' ' HOH A 1 411 . 411 HOH A O 22.1 1.0 38.195 28.078001 42.956 1 3316 +HETATM O O ' ' HOH A 1 412 . 412 HOH A O 21.13 1.0 39.202 19.654001 41.606003 1 3317 +HETATM O O ' ' HOH A 1 413 . 413 HOH A O 23.75 1.0 32.434 30.916 64.266 1 3318 +HETATM O O ' ' HOH A 1 414 . 414 HOH A O 24.23 1.0 24.695 14.8480015 56.561005 1 3319 +HETATM O O ' ' HOH A 1 415 . 415 HOH A O 25.44 1.0 44.943 26.220001 36.599 1 3320 +HETATM O O ' ' HOH A 1 416 . 416 HOH A O 24.43 1.0 37.059 34.629 46.834 1 3321 +HETATM O O ' ' HOH A 1 417 . 417 HOH A O 23.08 1.0 21.741001 20.922 54.884003 1 3322 +HETATM O O ' ' HOH A 1 418 . 418 HOH A O 24.22 1.0 26.864998 35.707 54.695 1 3323 +HETATM O O ' ' HOH A 1 419 . 419 HOH A O 23.47 1.0 37.767998 27.600002 64.308 1 3324 +HETATM O O ' ' HOH A 1 420 . 420 HOH A O 22.89 1.0 26.5 41.041 69.617004 1 3325 +HETATM O O ' ' HOH A 1 421 . 421 HOH A O 25.63 1.0 26.542 39.489002 62.219 1 3326 +HETATM O O ' ' HOH A 1 422 . 422 HOH A O 26.78 1.0 20.571 18.972002 58.928 1 3327 +HETATM O O ' ' HOH A 1 423 . 423 HOH A O 25.96 1.0 18.505001 24.672 61.913002 1 3328 +HETATM O O ' ' HOH A 1 424 . 424 HOH A O 29.36 1.0 42.783 41.671 25.873001 1 3329 +HETATM O O ' ' HOH A 1 425 . 425 HOH A O 25.98 1.0 35.399998 28.942001 64.673004 1 3330 +HETATM O O ' ' HOH A 1 426 . 426 HOH A O 23.0 1.0 30.974998 36.149002 70.553 1 3331 +HETATM O O ' ' HOH A 1 427 . 427 HOH A O 26.45 1.0 33.649998 25.203001 19.161 1 3332 +HETATM O O ' ' HOH A 1 428 . 428 HOH A O 26.21 1.0 21.006 34.288002 59.058 1 3333 +HETATM O O ' ' HOH A 1 429 . 429 HOH A O 26.73 1.0 14.369 29.922 26.002998 1 3334 +HETATM O O ' ' HOH A 1 430 . 430 HOH A O 26.23 1.0 47.332 31.966002 53.024002 1 3335 +HETATM O O ' ' HOH A 1 431 . 431 HOH A O 29.92 1.0 20.527 20.491001 61.177002 1 3336 +HETATM O O ' ' HOH A 1 432 . 432 HOH A O 30.11 1.0 34.239998 35.794003 49.325005 1 3337 +HETATM O O ' ' HOH A 1 433 . 433 HOH A O 28.81 1.0 41.982 20.11 34.364998 1 3338 +HETATM O O ' ' HOH A 1 434 . 434 HOH A O 28.09 1.0 27.901001 14.182001 66.209 1 3339 +HETATM O O ' ' HOH A 1 435 . 435 HOH A O 32.08 1.0 49.285 39.809002 62.871002 1 3340 +HETATM O O ' ' HOH A 1 436 . 436 HOH A O 31.67 1.0 46.423 37.387 58.509003 1 3341 +HETATM O O ' ' HOH A 1 437 . 437 HOH A O 26.87 1.0 38.249 26.434002 83.426 1 3342 +HETATM O O ' ' HOH A 1 438 . 438 HOH A O 28.84 1.0 41.452 19.007002 31.590004 1 3343 +HETATM O O ' ' HOH A 1 439 . 439 HOH A O 29.55 1.0 34.198997 20.612001 41.082 1 3344 +HETATM O O ' ' HOH A 1 440 . 440 HOH A O 30.38 1.0 34.167 36.247 67.197 1 3345 +HETATM O O ' ' HOH A 1 441 . 441 HOH A O 29.43 1.0 40.808 14.482002 50.002 1 3346 +HETATM O O ' ' HOH A 1 442 . 442 HOH A O 35.28 1.0 15.595 27.459002 24.559998 1 3347 +HETATM O O ' ' HOH A 1 443 . 443 HOH A O 31.89 1.0 41.611 13.987001 66.857 1 3348 +HETATM O O ' ' HOH A 1 444 . 444 HOH A O 34.41 1.0 45.545998 26.922 40.981003 1 3349 +HETATM O O ' ' HOH A 1 445 . 445 HOH A O 27.93 1.0 35.672 35.285 65.194 1 3350 +HETATM O O ' ' HOH A 1 446 . 446 HOH A O 31.76 1.0 44.661 13.160002 58.746002 1 3351 +HETATM O O ' ' HOH A 1 447 . 447 HOH A O 29.96 1.0 38.793 32.413002 58.559998 1 3352 +HETATM O O ' ' HOH A 1 448 . 448 HOH A O 36.27 1.0 44.172 34.872 33.795998 1 3353 +HETATM O O ' ' HOH A 1 449 . 449 HOH A O 32.47 1.0 8.318 29.303001 28.161003 1 3354 +HETATM O O ' ' HOH A 1 450 . 450 HOH A O 35.17 1.0 26.557 15.070002 54.753 1 3355 +HETATM O O ' ' HOH A 1 451 . 451 HOH A O 30.8 1.0 32.339 34.843002 54.160004 1 3356 +HETATM O O ' ' HOH A 1 452 . 452 HOH A O 34.62 1.0 45.209 16.919 46.809 1 3357 +HETATM O O ' ' HOH A 1 453 . 453 HOH A O 32.86 1.0 23.222 18.159002 34.134003 1 3358 +HETATM O O ' ' HOH A 1 454 . 454 HOH A O 34.83 1.0 18.355999 22.04 61.084 1 3359 +HETATM O O ' ' HOH A 1 455 . 455 HOH A O 32.52 1.0 44.195 33.039 43.340004 1 3360 +HETATM O O ' ' HOH A 1 456 . 456 HOH A O 30.77 1.0 32.892998 38.214 42.415 1 3361 +HETATM O O ' ' HOH A 1 457 . 457 HOH A O 36.6 1.0 41.508 34.342003 40.835 1 3362 +HETATM O O ' ' HOH A 1 458 . 458 HOH A O 33.92 1.0 50.423 15.865002 61.275 1 3363 +HETATM O O ' ' HOH A 1 459 . 459 HOH A O 34.71 1.0 44.665 28.215002 38.447998 1 3364 +HETATM O O ' ' HOH A 1 460 . 460 HOH A O 31.29 1.0 20.279999 29.027 72.875 1 3365 +HETATM O O ' ' HOH A 1 461 . 461 HOH A O 40.78 1.0 12.262 33.194 24.714005 1 3366 +HETATM O O ' ' HOH A 1 462 . 462 HOH A O 28.79 1.0 18.877998 29.730001 48.455 1 3367 +HETATM O O ' ' HOH A 1 463 . 463 HOH A O 35.3 1.0 46.216 29.376001 29.545998 1 3368 +HETATM O O ' ' HOH A 1 464 . 464 HOH A O 31.91 1.0 23.66 19.731003 71.822 1 3369 +HETATM O O ' ' HOH A 1 465 . 465 HOH A O 31.47 1.0 21.091 25.405003 39.575005 1 3370 +HETATM O O ' ' HOH A 1 466 . 466 HOH A O 28.27 1.0 41.193 31.299002 59.519005 1 3371 +HETATM O O ' ' HOH A 1 467 . 467 HOH A O 31.28 1.0 33.475 35.730003 69.925 1 3372 +HETATM O O ' ' HOH A 1 468 . 468 HOH A O 36.08 1.0 31.469997 27.414001 12.585003 1 3373 +HETATM O O ' ' HOH A 1 469 . 469 HOH A O 35.8 1.0 50.566998 22.900002 75.53 1 3374 +HETATM O O ' ' HOH A 1 470 . 470 HOH A O 31.6 1.0 26.099998 34.635002 57.225998 1 3375 +HETATM O O ' ' HOH A 1 471 . 471 HOH A O 34.03 1.0 22.573002 16.682001 56.104004 1 3376 +HETATM O O ' ' HOH A 1 472 . 472 HOH A O 36.39 1.0 40.691998 47.193 68.447 1 3377 +HETATM O O ' ' HOH A 1 473 . 473 HOH A O 35.66 1.0 36.051 22.871002 16.052002 1 3378 +HETATM O O ' ' HOH A 1 475 . 475 HOH A O 34.41 1.0 53.753998 20.727001 65.647 1 3379 +HETATM O O ' ' HOH A 1 476 . 476 HOH A O 36.53 1.0 47.286 41.24 59.904 1 3380 +HETATM O O ' ' HOH A 1 477 . 477 HOH A O 32.63 1.0 56.354 33.382 70.645004 1 3381 +HETATM O O ' ' HOH A 1 478 . 478 HOH A O 36.22 1.0 32.211998 13.108002 47.587997 1 3382 +HETATM O O ' ' HOH A 1 479 . 479 HOH A O 34.49 1.0 42.992 42.473 74.886 1 3383 +HETATM O O ' ' HOH A 1 480 . 480 HOH A O 30.97 1.0 33.776 42.398003 78.268 1 3384 +HETATM O O ' ' HOH A 1 481 . 481 HOH A O 37.37 1.0 38.909 15.447002 41.062004 1 3385 +HETATM O O ' ' HOH A 1 482 . 482 HOH A O 36.1 1.0 36.118 15.359001 41.795 1 3386 +HETATM O O ' ' HOH A 1 483 . 483 HOH A O 31.33 1.0 41.329 21.386002 79.923004 1 3387 +HETATM O O ' ' HOH A 1 484 . 484 HOH A O 35.42 1.0 26.454998 42.671 65.768 1 3388 +HETATM O O ' ' HOH A 1 485 . 485 HOH A O 35.55 1.0 44.962997 31.248001 41.041 1 3389 +HETATM O O ' ' HOH A 1 486 . 486 HOH A O 35.39 1.0 37.64 39.192 38.684998 1 3390 +HETATM O O ' ' HOH A 1 487 . 487 HOH A O 36.78 1.0 48.55 15.712002 52.273003 1 3391 +HETATM O O ' ' HOH A 1 489 . 489 HOH A O 38.2 1.0 38.818 10.934002 37.642 1 3392 +HETATM O O ' ' HOH A 1 490 . 490 HOH A O 33.84 1.0 44.853 30.569002 27.626 1 3393 +HETATM O O ' ' HOH A 1 491 . 491 HOH A O 34.57 1.0 28.871998 16.845001 75.659004 1 3394 +HETATM O O ' ' HOH A 1 492 . 492 HOH A O 39.64 1.0 47.690998 26.609001 35.523003 1 3395 +HETATM O O ' ' HOH A 1 493 . 493 HOH A O 34.0 1.0 35.517998 39.293003 37.156998 1 3396 +HETATM O O ' ' HOH A 1 494 . 494 HOH A O 31.23 1.0 42.1 37.852 81.116005 1 3397 +HETATM O O ' ' HOH A 1 495 . 495 HOH A O 34.16 1.0 26.165 15.625002 48.107002 1 3398 +HETATM O O ' ' HOH A 1 496 . 496 HOH A O 35.89 1.0 16.992 22.767002 58.676003 1 3399 +HETATM O O ' ' HOH A 1 497 . 497 HOH A O 36.6 1.0 18.883999 24.538002 55.127 1 3400 +HETATM O O ' ' HOH A 1 498 . 498 HOH A O 40.31 1.0 20.602001 14.964001 62.625 1 3401 +HETATM O O ' ' HOH A 1 499 . 499 HOH A O 34.25 1.0 35.551 11.908001 63.910004 1 3402 +HETATM O O ' ' HOH A 1 500 . 500 HOH A O 36.16 1.0 19.623001 37.217003 68.695 1 3403 +HETATM O O ' ' HOH A 1 501 . 501 HOH A O 34.94 1.0 24.924 36.018 25.903 1 3404 +HETATM O O ' ' HOH A 1 502 . 502 HOH A O 37.63 1.0 31.333 28.149002 84.973 1 3405 +HETATM O O ' ' HOH A 1 503 . 503 HOH A O 38.06 1.0 18.824001 19.373001 18.68 1 3406 +HETATM O O ' ' HOH A 1 504 . 504 HOH A O 45.23 1.0 29.808998 37.042 22.185001 1 3407 +HETATM O O ' ' HOH A 1 505 . 505 HOH A O 37.12 1.0 30.488998 14.324001 35.096 1 3408 +HETATM O O ' ' HOH A 1 506 . 506 HOH A O 41.12 1.0 43.197 33.417 38.926003 1 3409 +HETATM O O ' ' HOH A 1 507 . 507 HOH A O 38.71 1.0 53.201 38.644 61.816 1 3410 +HETATM O O ' ' HOH A 1 508 . 508 HOH A O 33.7 1.0 29.579998 45.124 74.271 1 3411 +HETATM O O ' ' HOH A 1 509 . 509 HOH A O 37.65 1.0 26.612 42.486 28.522003 1 3412 +HETATM O O ' ' HOH A 1 510 . 510 HOH A O 37.49 1.0 37.008 11.082001 57.646004 1 3413 +HETATM O O ' ' HOH A 1 511 . 511 HOH A O 41.51 1.0 21.495998 31.053001 9.571003 1 3414 +HETATM O O ' ' HOH A 1 512 . 512 HOH A O 37.86 1.0 40.238 36.158 39.121002 1 3415 +HETATM O O ' ' HOH A 1 513 . 513 HOH A O 35.95 1.0 50.023 23.114002 72.362 1 3416 +HETATM O O ' ' HOH A 1 514 . 514 HOH A O 40.45 1.0 41.945 16.119001 31.836998 1 3417 +HETATM O O ' ' HOH A 1 515 . 515 HOH A O 35.49 1.0 46.542 32.082 81.758 1 3418 +HETATM O O ' ' HOH A 1 516 . 516 HOH A O 36.22 1.0 41.371 15.080002 47.327003 1 3419 +HETATM O O ' ' HOH A 1 517 . 517 HOH A O 42.99 1.0 24.213001 15.174002 52.705 1 3420 +HETATM O O ' ' HOH A 1 518 . 518 HOH A O 40.0 1.0 24.884998 32.922 13.583 1 3421 +HETATM O O ' ' HOH A 1 519 . 519 HOH A O 38.79 1.0 11.192 30.920002 20.682003 1 3422 +HETATM O O ' ' HOH A 1 520 . 520 HOH A O 44.97 1.0 32.154 9.865002 31.853004 1 3423 +HETATM O O ' ' HOH A 1 521 . 521 HOH A O 41.92 1.0 38.266 12.518002 49.649002 1 3424 +HETATM O O ' ' HOH A 1 522 . 522 HOH A O 36.76 1.0 43.465 23.252003 36.5 1 3425 +HETATM O O ' ' HOH A 1 523 . 523 HOH A O 39.24 1.0 49.033 44.21 70.891 1 3426 +HETATM O O ' ' HOH A 1 525 . 525 HOH A O 35.87 1.0 24.898998 22.046001 45.808 1 3427 +HETATM O O ' ' HOH A 1 526 . 526 HOH A O 41.11 1.0 44.284 33.550003 82.595 1 3428 +HETATM O O ' ' HOH A 1 527 . 527 HOH A O 40.61 1.0 32.222 16.263002 40.861 1 3429 +HETATM O O ' ' HOH A 1 528 . 528 HOH A O 38.92 1.0 16.928001 28.795002 50.003 1 3430 +HETATM O O ' ' HOH A 1 530 . 530 HOH A O 42.4 1.0 49.622997 34.614002 78.301 1 3431 +HETATM O O ' ' HOH A 1 531 . 531 HOH A O 40.23 1.0 17.172 35.084 66.286 1 3432 +HETATM O O ' ' HOH A 1 533 . 533 HOH A O 48.09 1.0 48.132 31.579002 32.029 1 3433 +HETATM O O ' ' HOH A 1 534 . 534 HOH A O 37.92 1.0 18.870998 28.165 52.731003 1 3434 +HETATM O O ' ' HOH A 1 535 . 535 HOH A O 36.89 1.0 42.101997 49.276 67.814 1 3435 +HETATM O O ' ' HOH A 1 536 . 536 HOH A O 41.08 1.0 45.996998 17.702002 44.221 1 3436 +HETATM O O ' ' HOH A 1 537 . 537 HOH A O 38.86 1.0 25.571999 30.300001 83.625 1 3437 +HETATM O O ' ' HOH A 1 538 . 538 HOH A O 46.46 1.0 20.437 23.685001 37.275 1 3438 +HETATM O O ' ' HOH A 1 539 . 539 HOH A O 43.03 1.0 46.184998 33.767002 32.285004 1 3439 +HETATM O O ' ' HOH A 1 540 . 540 HOH A O 39.47 1.0 25.855 14.463001 34.764 1 3440 +HETATM O O ' ' HOH A 1 541 . 541 HOH A O 37.06 1.0 42.094997 32.188 27.109001 1 3441 +HETATM O O ' ' HOH A 1 542 . 542 HOH A O 36.34 1.0 26.911 20.726002 46.322 1 3442 +HETATM O O ' ' HOH A 1 543 . 543 HOH A O 40.72 1.0 45.291 19.859001 38.549004 1 3443 +HETATM O O ' ' HOH A 1 544 . 544 HOH A O 34.46 1.0 45.261997 23.414001 81.462 1 3444 +HETATM O O ' ' HOH A 1 545 . 545 HOH A O 38.0 1.0 34.985 44.263 77.543 1 3445 +HETATM O O ' ' HOH A 1 546 . 546 HOH A O 44.18 1.0 22.597 20.617 36.359 1 3446 +HETATM O O ' ' HOH A 1 547 . 547 HOH A O 42.86 1.0 14.660001 24.938002 61.816 1 3447 +HETATM O O ' ' HOH A 1 548 . 548 HOH A O 39.88 1.0 30.162998 34.647003 20.986 1 3448 +HETATM O O ' ' HOH A 1 549 . 549 HOH A O 45.58 1.0 30.370998 47.399002 70.020004 1 3449 +HETATM O O ' ' HOH A 1 550 . 550 HOH A O 44.08 1.0 47.48 22.654001 29.871002 1 3450 +HETATM O O ' ' HOH A 1 551 . 551 HOH A O 37.85 1.0 52.801 33.608 77.256004 1 3451 +HETATM O O ' ' HOH A 1 552 . 552 HOH A O 42.3 1.0 29.288998 5.2490005 56.014 1 3452 +HETATM O O ' ' HOH A 1 553 . 553 HOH A O 44.04 1.0 20.236 20.359001 25.858002 1 3453 +HETATM O O ' ' HOH A 1 554 . 554 HOH A O 38.62 1.0 42.264 30.932001 24.645004 1 3454 +HETATM O O ' ' HOH A 1 555 . 555 HOH A O 43.3 1.0 33.737 15.548002 46.317 1 3455 +HETATM O O ' ' HOH A 1 556 . 556 HOH A O 46.14 1.0 37.869 17.54 15.038002 1 3456 +HETATM O O ' ' HOH A 1 557 . 557 HOH A O 38.93 1.0 19.629002 21.257002 28.600998 1 3457 +HETATM O O ' ' HOH A 1 558 . 558 HOH A O 42.49 1.0 30.132 42.824 25.673004 1 3458 +HETATM O O ' ' HOH A 1 559 . 559 HOH A O 39.56 1.0 20.061 23.804 33.775 1 3459 +HETATM O O ' ' HOH A 1 560 . 560 HOH A O 46.12 1.0 25.904999 17.7 46.389 1 3460 +HETATM O O ' ' HOH A 1 562 . 562 HOH A O 42.96 1.0 17.82 28.691002 67.903 1 3461 +HETATM O O ' ' HOH A 1 563 . 563 HOH A O 39.16 1.0 22.223999 22.565002 47.567 1 3462 +HETATM O O ' ' HOH A 1 564 . 564 HOH A O 45.47 1.0 37.163 40.532 34.931 1 3463 +HETATM O O ' ' HOH A 1 565 . 565 HOH A O 42.54 1.0 37.253 44.754 84.137 1 3464 +HETATM O O ' ' HOH A 1 566 . 566 HOH A O 42.55 1.0 18.543999 25.117 33.869003 1 3465 +HETATM O O ' ' HOH A 1 567 . 567 HOH A O 41.86 1.0 46.309998 16.548002 71.953 1 3466 +HETATM O O ' ' HOH A 1 568 . 568 HOH A O 42.01 1.0 32.341 12.124001 35.104004 1 3467 +HETATM O O ' ' HOH A 1 569 . 569 HOH A O 43.83 1.0 30.259998 15.928001 39.170998 1 3468 +HETATM O O ' ' HOH A 1 570 . 570 HOH A O 40.61 1.0 28.424 47.882004 65.239 1 3469 +HETATM O O ' ' HOH A 1 571 . 571 HOH A O 39.66 1.0 31.451 5.000002 58.111 1 3470 +HETATM O O ' ' HOH A 1 572 . 572 HOH A O 42.26 1.0 43.291 33.342003 85.951004 1 3471 +HETATM O O ' ' HOH A 1 573 . 573 HOH A O 43.76 1.0 39.754997 38.510002 82.391 1 3472 +HETATM O O ' ' HOH A 1 574 . 574 HOH A O 53.48 1.0 31.739998 14.333002 71.373 1 3473 +HETATM O O ' ' HOH A 1 575 . 575 HOH A O 45.54 1.0 51.177998 18.240002 59.122 1 3474 +HETATM O O ' ' HOH A 1 576 . 576 HOH A O 39.84 1.0 42.364 14.285002 38.919 1 3475 +HETATM O O ' ' HOH A 1 577 . 577 HOH A O 45.32 1.0 32.61 5.253002 62.295 1 3476 +HETATM O O ' ' HOH A 1 579 . 579 HOH A O 49.07 1.0 41.267 41.278 46.349 1 3477 +HETATM O O ' ' HOH A 1 580 . 580 HOH A O 43.86 1.0 43.487 35.912003 82.691 1 3478 +HETATM O O ' ' HOH A 1 581 . 581 HOH A O 43.15 1.0 28.821999 26.974003 12.057003 1 3479 +HETATM O O ' ' HOH A 1 582 . 582 HOH A O 40.53 1.0 20.275002 35.229 76.012 1 3480 +HETATM O O ' ' HOH A 1 583 . 583 HOH A O 42.6 1.0 28.134998 44.627003 81.003 1 3481 +HETATM O O ' ' HOH A 1 584 . 584 HOH A O 44.09 1.0 33.612 23.288002 14.688 1 3482 +HETATM O O ' ' HOH A 1 586 . 586 HOH A O 51.66 1.0 30.214 14.838001 75.047005 1 3483 +HETATM O O ' ' HOH A 1 587 . 587 HOH A O 42.25 1.0 47.443 15.372002 60.012 1 3484 +HETATM O O ' ' HOH A 1 588 . 588 HOH A O 42.12 1.0 42.382 35.924 84.786 1 3485 +HETATM O O ' ' HOH A 1 589 . 589 HOH A O 40.72 1.0 24.083 42.417 69.749 1 3486 +HETATM O O ' ' HOH A 1 590 . 590 HOH A O 47.39 1.0 21.684002 16.654001 53.939003 1 3487 +HETATM O O ' ' HOH A 1 592 . 592 HOH A O 48.74 1.0 12.474 29.901001 23.975002 1 3488 +HETATM O O ' ' HOH A 1 593 . 593 HOH A O 49.18 1.0 20.772 26.167002 73.684 1 3489 +HETATM O O ' ' HOH A 1 596 . 596 HOH A O 46.16 1.0 36.932 15.585001 13.331001 1 3490 +HETATM O O ' ' HOH A 1 597 . 597 HOH A O 48.72 1.0 40.964 18.538002 80.897 1 3491 +HETATM O O ' ' HOH A 1 599 . 599 HOH A O 44.77 1.0 49.757 32.861 52.950005 1 3492 +HETATM O O ' ' HOH A 1 600 . 600 HOH A O 45.18 1.0 40.045 16.484001 16.111 1 3493 +HETATM O O ' ' HOH A 1 602 . 602 HOH A O 38.02 1.0 54.029 30.604002 61.348 1 3494 +HETATM O O ' ' HOH A 1 603 . 603 HOH A O 48.45 1.0 12.286 25.060001 60.653 1 3495 +HETATM O O ' ' HOH A 1 604 . 604 HOH A O 44.85 1.0 33.27 17.590002 44.998 1 3496 +HETATM O O ' ' HOH A 1 605 . 605 HOH A O 41.9 1.0 38.222 14.857002 48.075005 1 3497 +HETATM O O ' ' HOH A 1 606 . 606 HOH A O 42.33 1.0 34.926 11.263002 48.803 1 3498 +HETATM O O ' ' HOH A 1 607 . 607 HOH A O 46.4 1.0 36.333 38.037003 50.072 1 3499 +HETATM O O ' ' HOH A 1 608 . 608 HOH A O 50.28 1.0 38.469997 23.280003 14.57 1 3500 +HETATM O O ' ' HOH A 1 609 . 609 HOH A O 45.47 1.0 21.042 15.113001 19.510002 1 3501 +HETATM O O ' ' HOH A 1 611 . 611 HOH A O 45.07 1.0 54.344997 36.023003 72.868004 1 3502 +HETATM O O ' ' HOH A 1 612 . 612 HOH A O 50.22 1.0 31.293 45.975002 72.362 1 3503 +HETATM O O ' ' HOH A 1 613 . 613 HOH A O 46.54 1.0 44.002 15.696001 29.556 1 3504 +HETATM O O ' ' HOH A 1 614 . 614 HOH A O 49.61 1.0 34.705997 9.692001 36.600998 1 3505 +HETATM O O ' ' HOH A 1 615 . 615 HOH A O 45.72 1.0 40.62 14.255001 74.683 1 3506 +HETATM O O ' ' HOH A 1 618 . 618 HOH A O 41.71 1.0 14.244 28.913002 37.461 1 3507 +HETATM O O ' ' HOH A 1 619 . 619 HOH A O 57.99 1.0 51.982998 43.372 63.716003 1 3508 +HETATM O O ' ' HOH A 1 620 . 620 HOH A O 50.23 1.0 23.867 16.992 49.688004 1 3509 +HETATM O O ' ' HOH A 1 621 . 621 HOH A O 41.33 1.0 51.32 39.752003 71.173004 1 3510 +HETATM O O ' ' HOH A 1 622 . 622 HOH A O 50.62 1.0 18.576 15.200001 22.671001 1 3511 +HETATM O O ' ' HOH A 1 623 . 623 HOH A O 45.79 1.0 50.673 38.104 73.263 1 3512 +HETATM O O ' ' HOH A 1 624 . 624 HOH A O 59.33 1.0 40.524998 25.222 16.306 1 3513 +HETATM O O ' ' HOH A 1 625 . 625 HOH A O 49.05 1.0 24.355999 32.664 83.395004 1 3514 +HETATM O O ' ' HOH A 1 626 . 626 HOH A O 45.43 1.0 49.614 29.238 81.924 1 3515 +HETATM O O ' ' HOH A 1 627 . 627 HOH A O 45.25 1.0 40.496 38.734 37.999 1 3516 +HETATM O O ' ' HOH A 1 631 . 631 HOH A O 56.79 1.0 52.166 43.115 66.24 1 3517 +HETATM O O ' ' HOH A 1 632 . 632 HOH A O 45.89 1.0 21.025002 29.191002 79.163 1 3518 +HETATM O O ' ' HOH A 1 636 . 636 HOH A O 50.29 1.0 47.739998 40.616 56.475 1 3519 +HETATM O O ' ' HOH A 1 637 . 637 HOH A O 54.86 1.0 46.257 17.089 74.439 1 3520 +# +_cell.length_a 55.242 +_cell.length_b 95.831 +_cell.length_c 90.13 +_cell.angle_alpha 90.0 +_cell.angle_beta 95.43 +_cell.angle_gamma 90.0 +# diff --git a/tests/utils/test_density_utils.py b/tests/utils/test_density_utils.py index 9178cff1..d50155f7 100644 --- a/tests/utils/test_density_utils.py +++ b/tests/utils/test_density_utils.py @@ -10,8 +10,10 @@ from sampleworks.core.forward_models.xray.real_space_density_deps.qfit.volume import XMap from sampleworks.core.rewards.real_space_density import extract_density_inputs_from_atomarray from sampleworks.utils.density_utils import ( + build_density_transformer, compute_density_from_atomarray, create_synthetic_grid, + run_density_transformer, ) @@ -472,3 +474,76 @@ def test_stack_density_matches_manual_weighted_sum( expected = sum(per_model_densities) torch.testing.assert_close(density_stack, expected, rtol=1e-4, atol=1e-6) + + +@pytest.mark.slow +@pytest.mark.gpu +class TestSplitDensityHelpers: + """Tests for build_density_transformer and run_density_transformer.""" + + def test_split_helpers_match_wrapper(self, simple_atom_array: AtomArray, device: torch.device): + """ + Split helpers must produce the same density as the wrapper. + """ + xmap = create_synthetic_grid(simple_atom_array, resolution=2.0) + + ref_density, _ = compute_density_from_atomarray( + simple_atom_array, xmap=xmap, em_mode=False, device=device + ) + transformer, _ = build_density_transformer(xmap, em_mode=False, device=device) + new_density = run_density_transformer(transformer, simple_atom_array) + + torch.testing.assert_close(ref_density, new_density) + + def test_split_helpers_match_wrapper_on_stack( + self, simple_atom_array_stack: AtomArrayStack, device: torch.device + ): + """ + Split helpers must produce the same density as the wrapper when called + directly with an AtomArrayStack. This is the shape that the RSCC + grid-search refactor relies on when caching a transformer across trials. + """ + xmap = create_synthetic_grid(simple_atom_array_stack, resolution=2.0) + + ref_density, _ = compute_density_from_atomarray( + simple_atom_array_stack, xmap=xmap, em_mode=False, device=device + ) + transformer, _ = build_density_transformer(xmap, em_mode=False, device=device) + new_density = run_density_transformer(transformer, simple_atom_array_stack) + + torch.testing.assert_close(ref_density, new_density) + + def test_transformer_reuse_produces_identical_density( + self, simple_atom_array: AtomArray, device: torch.device + ): + """ + Running the same transformer twice on the same input should produce the same results. + """ + xmap = create_synthetic_grid(simple_atom_array, resolution=2.0) + transformer, _ = build_density_transformer(xmap, em_mode=False, device=device) + + density_1 = run_density_transformer(transformer, simple_atom_array) + density_2 = run_density_transformer(transformer, simple_atom_array) + + torch.testing.assert_close(density_1, density_2) + + def test_transformer_reuse_across_different_structures( + self, simple_atom_array: AtomArray, device: torch.device + ): + """ + Different atom arrays through the same transformer produce distinct + but deterministic densities + """ + xmap = create_synthetic_grid(simple_atom_array, resolution=2.0) + transformer, _ = build_density_transformer(xmap, em_mode=False, device=device) + + # Shift coords to make a different structure but reuse the grid. + shifted = simple_atom_array.copy() + shifted.coord = shifted.coord + 0.5 + + density_orig = run_density_transformer(transformer, simple_atom_array) + density_shifted = run_density_transformer(transformer, shifted) + density_orig_again = run_density_transformer(transformer, simple_atom_array) + + assert not torch.allclose(density_orig, density_shifted) + torch.testing.assert_close(density_orig, density_orig_again)