diff --git a/notebooks/tutorials/benzene.sdf b/notebooks/tutorials/benzene.sdf
new file mode 100644
index 00000000..7db698ff
--- /dev/null
+++ b/notebooks/tutorials/benzene.sdf
@@ -0,0 +1,30 @@
+181L.lig
+ OpenBabel06212320143D
+
+ 12 12 0 0 0 0 0 0 0 0999 V2000
+ 25.9780 5.3270 4.7790 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 25.2390 4.6940 5.2400 H 0 0 0 0 0 0 0 0 0 0 0 0
+ 26.3950 5.0740 3.4990 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 25.9770 4.2470 2.9500 H 0 0 0 0 0 0 0 0 0 0 0 0
+ 27.3400 5.8600 2.9020 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 27.6820 5.6300 1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0
+ 27.8370 6.9210 3.5690 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 28.5640 7.5610 3.0980 H 0 0 0 0 0 0 0 0 0 0 0 0
+ 27.4200 7.1960 4.8560 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 27.8160 8.0500 5.3800 H 0 0 0 0 0 0 0 0 0 0 0 0
+ 26.4980 6.3790 5.4690 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 26.1870 6.5640 6.4830 H 0 0 0 0 0 0 0 0 0 0 0 0
+ 2 1 1 0 0 0 0
+ 3 1 2 0 0 0 0
+ 4 3 1 0 0 0 0
+ 5 3 1 0 0 0 0
+ 6 5 1 0 0 0 0
+ 7 5 2 0 0 0 0
+ 8 7 1 0 0 0 0
+ 9 7 1 0 0 0 0
+ 10 9 1 0 0 0 0
+ 11 1 1 0 0 0 0
+ 11 9 2 0 0 0 0
+ 12 11 1 0 0 0 0
+M END
+$$$$
diff --git a/notebooks/tutorials/benzene_lysozyme.png b/notebooks/tutorials/benzene_lysozyme.png
new file mode 100644
index 00000000..b204e3d5
Binary files /dev/null and b/notebooks/tutorials/benzene_lysozyme.png differ
diff --git a/notebooks/tutorials/lysozyme.pdb b/notebooks/tutorials/lysozyme.pdb
new file mode 100644
index 00000000..6b261a60
--- /dev/null
+++ b/notebooks/tutorials/lysozyme.pdb
@@ -0,0 +1,5733 @@
+COMPND MOL
+AUTHOR GENERATED BY OPEN BABEL 2.3.90
+ATOM 1 N MET A 1 43.996 -3.261 9.257 1.00 0.00 N1+
+ATOM 2 H1 MET A 1 43.262 -3.916 9.499 1.00 0.00 H
+ATOM 3 H2 MET A 1 44.711 -3.287 9.975 1.00 0.00 H
+ATOM 4 H3 MET A 1 44.405 -3.502 8.367 1.00 0.00 H
+ATOM 5 CA MET A 1 43.431 -1.911 9.226 1.00 0.00 C
+ATOM 6 HA MET A 1 43.998 -1.250 9.870 1.00 0.00 H
+ATOM 7 CB MET A 1 43.556 -1.361 7.782 1.00 0.00 C
+ATOM 8 HB2 MET A 1 44.591 -1.418 7.446 1.00 0.00 H
+ATOM 9 HB3 MET A 1 43.028 -2.070 7.149 1.00 0.00 H
+ATOM 10 CG MET A 1 42.925 -0.017 7.483 1.00 0.00 C
+ATOM 11 HG2 MET A 1 42.966 0.126 6.407 1.00 0.00 H
+ATOM 12 HG3 MET A 1 41.894 0.022 7.827 1.00 0.00 H
+ATOM 13 SD MET A 1 43.849 1.346 8.167 1.00 0.00 S
+ATOM 14 CE MET A 1 45.455 0.929 7.474 1.00 0.00 C
+ATOM 15 HE1 MET A 1 45.369 0.711 6.410 1.00 0.00 H
+ATOM 16 HE2 MET A 1 46.108 1.795 7.589 1.00 0.00 H
+ATOM 17 HE3 MET A 1 45.916 0.103 8.019 1.00 0.00 H
+ATOM 18 C MET A 1 42.003 -1.984 9.752 1.00 0.00 C
+ATOM 19 O MET A 1 41.329 -3.004 9.620 1.00 0.00 O
+ATOM 20 N ASN A 2 41.554 -0.901 10.345 1.00 0.00 N
+ATOM 21 H ASN A 2 42.152 -0.082 10.422 1.00 0.00 H
+ATOM 22 CA ASN A 2 40.203 -0.761 10.869 1.00 0.00 C
+ATOM 23 HA ASN A 2 39.496 -1.220 10.175 1.00 0.00 H
+ATOM 24 CB ASN A 2 40.070 -1.449 12.257 1.00 0.00 C
+ATOM 25 HB2 ASN A 2 39.050 -1.357 12.625 1.00 0.00 H
+ATOM 26 HB3 ASN A 2 40.273 -2.514 12.144 1.00 0.00 H
+ATOM 27 CG ASN A 2 40.986 -0.869 13.309 1.00 0.00 C
+ATOM 28 OD1 ASN A 2 40.905 0.318 13.629 1.00 0.00 O
+ATOM 29 ND2 ASN A 2 41.877 -1.702 13.831 1.00 0.00 N
+ATOM 30 HD21 ASN A 2 42.562 -1.299 14.456 1.00 0.00 H
+ATOM 31 HD22 ASN A 2 41.930 -2.667 13.567 1.00 0.00 H
+ATOM 32 C ASN A 2 39.881 0.724 10.954 1.00 0.00 C
+ATOM 33 O ASN A 2 40.746 1.576 10.735 1.00 0.00 O
+ATOM 34 N ILE A 3 38.616 0.998 11.280 1.00 0.00 N
+ATOM 35 H ILE A 3 37.980 0.240 11.470 1.00 0.00 H
+ATOM 36 CA ILE A 3 38.103 2.367 11.320 1.00 0.00 C
+ATOM 37 HA ILE A 3 38.170 2.744 10.299 1.00 0.00 H
+ATOM 38 CB ILE A 3 36.595 2.391 11.719 1.00 0.00 C
+ATOM 39 HB ILE A 3 36.052 1.758 11.015 1.00 0.00 H
+ATOM 40 CG2 ILE A 3 36.368 1.819 13.145 1.00 0.00 C
+ATOM 41 HG21 ILE A 3 36.840 2.450 13.900 1.00 0.00 H
+ATOM 42 HG22 ILE A 3 35.297 1.793 13.356 1.00 0.00 H
+ATOM 43 HG23 ILE A 3 36.755 0.805 13.229 1.00 0.00 H
+ATOM 44 CG1 ILE A 3 35.993 3.813 11.635 1.00 0.00 C
+ATOM 45 HG12 ILE A 3 34.924 3.732 11.824 1.00 0.00 H
+ATOM 46 HG13 ILE A 3 36.417 4.436 12.423 1.00 0.00 H
+ATOM 47 CD1 ILE A 3 36.180 4.534 10.286 1.00 0.00 C
+ATOM 48 HD11 ILE A 3 35.790 3.907 9.489 1.00 0.00 H
+ATOM 49 HD12 ILE A 3 35.634 5.477 10.299 1.00 0.00 H
+ATOM 50 HD13 ILE A 3 37.230 4.749 10.095 1.00 0.00 H
+ATOM 51 C ILE A 3 38.964 3.303 12.178 1.00 0.00 C
+ATOM 52 O ILE A 3 39.146 4.488 11.874 1.00 0.00 O
+ATOM 53 N PHE A 4 39.457 2.791 13.303 1.00 0.00 N
+ATOM 54 H PHE A 4 39.369 1.808 13.516 1.00 0.00 H
+ATOM 55 CA PHE A 4 40.242 3.641 14.189 1.00 0.00 C
+ATOM 56 HA PHE A 4 39.691 4.565 14.372 1.00 0.00 H
+ATOM 57 CB PHE A 4 40.520 2.986 15.537 1.00 0.00 C
+ATOM 58 HB2 PHE A 4 40.937 1.989 15.418 1.00 0.00 H
+ATOM 59 HB3 PHE A 4 41.258 3.583 16.075 1.00 0.00 H
+ATOM 60 CG PHE A 4 39.271 2.943 16.365 1.00 0.00 C
+ATOM 61 CD1 PHE A 4 38.869 4.038 17.136 1.00 0.00 C
+ATOM 62 HD1 PHE A 4 39.460 4.934 17.150 1.00 0.00 H
+ATOM 63 CE1 PHE A 4 37.722 3.972 17.933 1.00 0.00 C
+ATOM 64 HE1 PHE A 4 37.436 4.819 18.540 1.00 0.00 H
+ATOM 65 CZ PHE A 4 36.948 2.811 17.943 1.00 0.00 C
+ATOM 66 HZ PHE A 4 36.062 2.756 18.562 1.00 0.00 H
+ATOM 67 CE2 PHE A 4 37.328 1.721 17.150 1.00 0.00 C
+ATOM 68 HE2 PHE A 4 36.734 0.818 17.169 1.00 0.00 H
+ATOM 69 CD2 PHE A 4 38.499 1.783 16.387 1.00 0.00 C
+ATOM 70 HD2 PHE A 4 38.804 0.923 15.809 1.00 0.00 H
+ATOM 71 C PHE A 4 41.558 4.031 13.581 1.00 0.00 C
+ATOM 72 O PHE A 4 41.980 5.185 13.647 1.00 0.00 O
+ATOM 73 N GLU A 5 42.210 3.058 12.987 1.00 0.00 N
+ATOM 74 H GLU A 5 41.840 2.116 12.987 1.00 0.00 H
+ATOM 75 CA GLU A 5 43.474 3.368 12.358 1.00 0.00 C
+ATOM 76 HA GLU A 5 44.132 3.893 13.051 1.00 0.00 H
+ATOM 77 CB GLU A 5 44.166 2.092 11.881 1.00 0.00 C
+ATOM 78 HB2 GLU A 5 43.527 1.591 11.152 1.00 0.00 H
+ATOM 79 HB3 GLU A 5 45.103 2.359 11.390 1.00 0.00 H
+ATOM 80 CG GLU A 5 44.478 1.083 13.016 1.00 0.00 C
+ATOM 81 HG2 GLU A 5 45.108 1.593 13.748 1.00 0.00 H
+ATOM 82 HG3 GLU A 5 43.548 0.821 13.520 1.00 0.00 H
+ATOM 83 CD GLU A 5 45.167 -0.232 12.593 1.00 0.00 C
+ATOM 84 OE1 GLU A 5 45.151 -0.628 11.413 1.00 0.00 O1-
+ATOM 85 OE2 GLU A 5 45.725 -0.895 13.530 1.00 0.00 O
+ATOM 86 C GLU A 5 43.256 4.237 11.151 1.00 0.00 C
+ATOM 87 O GLU A 5 44.062 5.091 10.840 1.00 0.00 O
+ATOM 88 N MET A 6 42.174 3.990 10.442 1.00 0.00 N
+ATOM 89 H MET A 6 41.580 3.213 10.698 1.00 0.00 H
+ATOM 90 CA MET A 6 41.896 4.749 9.244 1.00 0.00 C
+ATOM 91 HA MET A 6 42.715 4.654 8.527 1.00 0.00 H
+ATOM 92 CB MET A 6 40.608 4.157 8.673 1.00 0.00 C
+ATOM 93 HB2 MET A 6 40.718 3.078 8.556 1.00 0.00 H
+ATOM 94 HB3 MET A 6 39.780 4.340 9.356 1.00 0.00 H
+ATOM 95 CG MET A 6 40.266 4.730 7.321 1.00 0.00 C
+ATOM 96 HG2 MET A 6 40.513 5.792 7.279 1.00 0.00 H
+ATOM 97 HG3 MET A 6 40.852 4.213 6.560 1.00 0.00 H
+ATOM 98 SD MET A 6 38.490 4.549 6.965 1.00 0.00 S
+ATOM 99 CE MET A 6 38.407 4.611 5.131 1.00 0.00 C
+ATOM 100 HE1 MET A 6 39.056 3.843 4.712 1.00 0.00 H
+ATOM 101 HE2 MET A 6 37.383 4.433 4.807 1.00 0.00 H
+ATOM 102 HE3 MET A 6 38.730 5.593 4.790 1.00 0.00 H
+ATOM 103 C MET A 6 41.693 6.206 9.611 1.00 0.00 C
+ATOM 104 O MET A 6 42.317 7.120 9.063 1.00 0.00 O
+ATOM 105 N LEU A 7 40.822 6.441 10.595 1.00 0.00 N
+ATOM 106 H LEU A 7 40.311 5.687 11.040 1.00 0.00 H
+ATOM 107 CA LEU A 7 40.599 7.835 10.992 1.00 0.00 C
+ATOM 108 HA LEU A 7 40.405 8.410 10.088 1.00 0.00 H
+ATOM 109 CB LEU A 7 39.395 7.950 11.919 1.00 0.00 C
+ATOM 110 HB2 LEU A 7 39.383 7.093 12.588 1.00 0.00 H
+ATOM 111 HB3 LEU A 7 39.476 8.859 12.521 1.00 0.00 H
+ATOM 112 CG LEU A 7 38.095 8.007 11.136 1.00 0.00 C
+ATOM 113 HG LEU A 7 38.099 7.215 10.386 1.00 0.00 H
+ATOM 114 CD1 LEU A 7 36.951 7.696 12.093 1.00 0.00 C
+ATOM 115 HD11 LEU A 7 36.930 8.444 12.886 1.00 0.00 H
+ATOM 116 HD12 LEU A 7 36.004 7.732 11.557 1.00 0.00 H
+ATOM 117 HD13 LEU A 7 37.086 6.708 12.529 1.00 0.00 H
+ATOM 118 CD2 LEU A 7 37.913 9.352 10.406 1.00 0.00 C
+ATOM 119 HD21 LEU A 7 38.700 9.517 9.672 1.00 0.00 H
+ATOM 120 HD22 LEU A 7 36.954 9.376 9.900 1.00 0.00 H
+ATOM 121 HD23 LEU A 7 37.938 10.166 11.133 1.00 0.00 H
+ATOM 122 C LEU A 7 41.819 8.521 11.620 1.00 0.00 C
+ATOM 123 O LEU A 7 42.031 9.735 11.485 1.00 0.00 O
+ATOM 124 N ARG A 8 42.607 7.746 12.357 1.00 0.00 N
+ATOM 125 H ARG A 8 42.355 6.771 12.486 1.00 0.00 H
+ATOM 126 CA ARG A 8 43.798 8.290 12.989 1.00 0.00 C
+ATOM 127 HA ARG A 8 43.517 9.169 13.576 1.00 0.00 H
+ATOM 128 CB ARG A 8 44.495 7.270 13.879 1.00 0.00 C
+ATOM 129 HB2 ARG A 8 43.905 7.090 14.779 1.00 0.00 H
+ATOM 130 HB3 ARG A 8 44.561 6.330 13.328 1.00 0.00 H
+ATOM 131 CG ARG A 8 45.913 7.700 14.229 1.00 0.00 C
+ATOM 132 HG2 ARG A 8 46.422 6.780 14.509 1.00 0.00 H
+ATOM 133 HG3 ARG A 8 46.495 8.032 13.383 1.00 0.00 H
+ATOM 134 CD ARG A 8 45.954 8.541 15.506 1.00 0.00 C
+ATOM 135 HD2 ARG A 8 45.228 9.353 15.405 1.00 0.00 H
+ATOM 136 HD3 ARG A 8 45.630 7.920 16.345 1.00 0.00 H
+ATOM 137 NE ARG A 8 47.266 9.141 15.812 1.00 0.00 N
+ATOM 138 HE ARG A 8 47.569 9.053 16.763 1.00 0.00 H
+ATOM 139 CZ ARG A 8 48.045 9.824 14.965 1.00 0.00 C
+ATOM 140 NH1 ARG A 8 47.724 10.018 13.685 1.00 0.00 N
+ATOM 141 HH11 ARG A 8 46.791 9.810 13.333 1.00 0.00 H
+ATOM 142 HH12 ARG A 8 48.347 10.468 13.046 1.00 0.00 H
+ATOM 143 NH2 ARG A 8 49.193 10.324 15.417 1.00 0.00 N
+ATOM 144 HH21 ARG A 8 49.485 10.152 16.355 1.00 0.00 H
+ATOM 145 HH22 ARG A 8 49.794 10.820 14.781 1.00 0.00 H
+ATOM 146 C ARG A 8 44.739 8.777 11.908 1.00 0.00 C
+ATOM 147 O ARG A 8 45.397 9.797 12.071 1.00 0.00 O
+ATOM 148 N ILE A 9 44.786 8.065 10.793 1.00 0.00 N
+ATOM 149 H ILE A 9 44.227 7.221 10.717 1.00 0.00 H
+ATOM 150 CA ILE A 9 45.576 8.479 9.661 1.00 0.00 C
+ATOM 151 HA ILE A 9 46.580 8.747 9.988 1.00 0.00 H
+ATOM 152 CB ILE A 9 45.697 7.364 8.603 1.00 0.00 C
+ATOM 153 HB ILE A 9 44.732 6.870 8.512 1.00 0.00 H
+ATOM 154 CG2 ILE A 9 46.047 7.935 7.205 1.00 0.00 C
+ATOM 155 HG21 ILE A 9 46.959 8.530 7.258 1.00 0.00 H
+ATOM 156 HG22 ILE A 9 46.196 7.138 6.481 1.00 0.00 H
+ATOM 157 HG23 ILE A 9 45.229 8.543 6.815 1.00 0.00 H
+ATOM 158 CG1 ILE A 9 46.743 6.315 8.997 1.00 0.00 C
+ATOM 159 HG12 ILE A 9 47.750 6.700 8.832 1.00 0.00 H
+ATOM 160 HG13 ILE A 9 46.632 6.076 10.056 1.00 0.00 H
+ATOM 161 CD1 ILE A 9 46.544 5.016 8.204 1.00 0.00 C
+ATOM 162 HD11 ILE A 9 46.727 5.159 7.140 1.00 0.00 H
+ATOM 163 HD12 ILE A 9 47.252 4.270 8.566 1.00 0.00 H
+ATOM 164 HD13 ILE A 9 45.534 4.632 8.355 1.00 0.00 H
+ATOM 165 C ILE A 9 44.962 9.729 9.035 1.00 0.00 C
+ATOM 166 O ILE A 9 45.663 10.696 8.744 1.00 0.00 O
+ATOM 167 N ASP A 10 43.657 9.754 8.828 1.00 0.00 N
+ATOM 168 H ASP A 10 43.084 8.945 9.043 1.00 0.00 H
+ATOM 169 CA ASP A 10 43.064 10.923 8.177 1.00 0.00 C
+ATOM 170 HA ASP A 10 43.675 11.187 7.315 1.00 0.00 H
+ATOM 171 CB ASP A 10 41.647 10.610 7.711 1.00 0.00 C
+ATOM 172 HB2 ASP A 10 41.104 10.075 8.492 1.00 0.00 H
+ATOM 173 HB3 ASP A 10 41.133 11.546 7.509 1.00 0.00 H
+ATOM 174 CG ASP A 10 41.675 9.835 6.429 1.00 0.00 C
+ATOM 175 OD1 ASP A 10 42.643 9.873 5.650 1.00 0.00 O1-
+ATOM 176 OD2 ASP A 10 40.706 9.049 6.316 1.00 0.00 O
+ATOM 177 C ASP A 10 43.016 12.209 9.022 1.00 0.00 C
+ATOM 178 O ASP A 10 43.014 13.331 8.489 1.00 0.00 O
+ATOM 179 N GLU A 11 42.953 12.056 10.337 1.00 0.00 N
+ATOM 180 H GLU A 11 42.814 11.127 10.714 1.00 0.00 H
+ATOM 181 CA GLU A 11 42.772 13.219 11.216 1.00 0.00 C
+ATOM 182 HA GLU A 11 42.446 14.088 10.642 1.00 0.00 H
+ATOM 183 CB GLU A 11 41.660 12.930 12.247 1.00 0.00 C
+ATOM 184 HB2 GLU A 11 41.982 12.072 12.834 1.00 0.00 H
+ATOM 185 HB3 GLU A 11 41.554 13.763 12.942 1.00 0.00 H
+ATOM 186 CG GLU A 11 40.300 12.572 11.625 1.00 0.00 C
+ATOM 187 HG2 GLU A 11 40.408 11.797 10.864 1.00 0.00 H
+ATOM 188 HG3 GLU A 11 39.665 12.165 12.415 1.00 0.00 H
+ATOM 189 CD GLU A 11 39.608 13.774 11.020 1.00 0.00 C
+ATOM 190 OE1 GLU A 11 40.145 14.897 11.220 1.00 0.00 O1-
+ATOM 191 OE2 GLU A 11 38.563 13.652 10.383 1.00 0.00 O
+ATOM 192 C GLU A 11 44.027 13.660 11.962 1.00 0.00 C
+ATOM 193 O GLU A 11 44.100 14.786 12.437 1.00 0.00 O
+ATOM 194 N GLY A 12 45.000 12.781 12.130 1.00 0.00 N
+ATOM 195 H GLY A 12 44.886 11.853 11.741 1.00 0.00 H
+ATOM 196 CA GLY A 12 46.187 13.129 12.903 1.00 0.00 C
+ATOM 197 HA2 GLY A 12 46.975 12.411 12.696 1.00 0.00 H
+ATOM 198 HA3 GLY A 12 46.533 14.121 12.613 1.00 0.00 H
+ATOM 199 C GLY A 12 45.861 13.121 14.385 1.00 0.00 C
+ATOM 200 O GLY A 12 44.793 12.691 14.796 1.00 0.00 O
+ATOM 201 N LEU A 13 46.801 13.572 15.197 1.00 0.00 N
+ATOM 202 H LEU A 13 47.628 13.992 14.803 1.00 0.00 H
+ATOM 203 CA LEU A 13 46.598 13.680 16.625 1.00 0.00 C
+ATOM 204 HA LEU A 13 45.531 13.747 16.849 1.00 0.00 H
+ATOM 205 CB LEU A 13 47.178 12.452 17.311 1.00 0.00 C
+ATOM 206 HB2 LEU A 13 46.526 11.599 17.121 1.00 0.00 H
+ATOM 207 HB3 LEU A 13 48.156 12.256 16.875 1.00 0.00 H
+ATOM 208 CG LEU A 13 47.388 12.632 18.821 1.00 0.00 C
+ATOM 209 HG LEU A 13 48.065 13.457 19.039 1.00 0.00 H
+ATOM 210 CD1 LEU A 13 46.083 12.823 19.548 1.00 0.00 C
+ATOM 211 HD11 LEU A 13 45.445 11.953 19.414 1.00 0.00 H
+ATOM 212 HD12 LEU A 13 46.263 12.940 20.613 1.00 0.00 H
+ATOM 213 HD13 LEU A 13 45.561 13.709 19.194 1.00 0.00 H
+ATOM 214 CD2 LEU A 13 47.985 11.364 19.381 1.00 0.00 C
+ATOM 215 HD21 LEU A 13 48.967 11.194 18.945 1.00 0.00 H
+ATOM 216 HD22 LEU A 13 48.087 11.537 20.446 1.00 0.00 H
+ATOM 217 HD23 LEU A 13 47.321 10.512 19.219 1.00 0.00 H
+ATOM 218 C LEU A 13 47.281 14.954 17.105 1.00 0.00 C
+ATOM 219 O LEU A 13 48.477 15.130 16.881 1.00 0.00 O
+ATOM 220 N ARG A 14 46.524 15.856 17.725 1.00 0.00 N
+ATOM 221 H ARG A 14 45.520 15.686 17.784 1.00 0.00 H
+ATOM 222 CA ARG A 14 47.053 17.100 18.266 1.00 0.00 C
+ATOM 223 HA ARG A 14 48.137 17.000 18.340 1.00 0.00 H
+ATOM 224 CB ARG A 14 46.785 18.301 17.384 1.00 0.00 C
+ATOM 225 HB2 ARG A 14 45.714 18.456 17.299 1.00 0.00 H
+ATOM 226 HB3 ARG A 14 47.250 19.183 17.825 1.00 0.00 H
+ATOM 227 CG ARG A 14 47.380 17.986 15.999 1.00 0.00 C
+ATOM 228 HG2 ARG A 14 48.385 17.576 16.106 1.00 0.00 H
+ATOM 229 HG3 ARG A 14 46.753 17.254 15.489 1.00 0.00 H
+ATOM 230 CD ARG A 14 47.484 19.196 15.111 1.00 0.00 C
+ATOM 231 HD2 ARG A 14 47.831 18.876 14.125 1.00 0.00 H
+ATOM 232 HD3 ARG A 14 46.485 19.626 15.007 1.00 0.00 H
+ATOM 233 NE ARG A 14 48.415 20.171 15.671 1.00 0.00 N
+ATOM 234 HE ARG A 14 49.032 19.865 16.402 1.00 0.00 H
+ATOM 235 CZ ARG A 14 48.512 21.414 15.228 1.00 0.00 C
+ATOM 236 NH1 ARG A 14 47.746 21.841 14.225 1.00 0.00 N
+ATOM 237 HH11 ARG A 14 47.107 21.192 13.797 1.00 0.00 H
+ATOM 238 HH12 ARG A 14 47.836 22.770 13.861 1.00 0.00 H
+ATOM 239 NH2 ARG A 14 49.395 22.222 15.797 1.00 0.00 N
+ATOM 240 HH21 ARG A 14 49.969 21.901 16.554 1.00 0.00 H
+ATOM 241 HH22 ARG A 14 49.513 23.155 15.450 1.00 0.00 H
+ATOM 242 C ARG A 14 46.554 17.291 19.656 1.00 0.00 C
+ATOM 243 O ARG A 14 45.369 17.181 19.892 1.00 0.00 O
+ATOM 244 N LEU A 15 47.476 17.561 20.575 1.00 0.00 N
+ATOM 245 H LEU A 15 48.450 17.599 20.315 1.00 0.00 H
+ATOM 246 CA LEU A 15 47.107 17.709 21.992 1.00 0.00 C
+ATOM 247 HA LEU A 15 46.148 17.214 22.153 1.00 0.00 H
+ATOM 248 CB LEU A 15 48.095 17.008 22.919 1.00 0.00 C
+ATOM 249 HB2 LEU A 15 49.068 17.493 22.836 1.00 0.00 H
+ATOM 250 HB3 LEU A 15 47.763 17.098 23.946 1.00 0.00 H
+ATOM 251 CG LEU A 15 48.236 15.517 22.563 1.00 0.00 C
+ATOM 252 HG LEU A 15 48.607 15.415 21.543 1.00 0.00 H
+ATOM 253 CD1 LEU A 15 49.273 14.868 23.479 1.00 0.00 C
+ATOM 254 HD11 LEU A 15 48.942 14.946 24.517 1.00 0.00 H
+ATOM 255 HD12 LEU A 15 49.394 13.817 23.220 1.00 0.00 H
+ATOM 256 HD13 LEU A 15 50.233 15.373 23.373 1.00 0.00 H
+ATOM 257 CD2 LEU A 15 46.903 14.756 22.671 1.00 0.00 C
+ATOM 258 HD21 LEU A 15 46.194 15.072 21.907 1.00 0.00 H
+ATOM 259 HD22 LEU A 15 47.084 13.690 22.561 1.00 0.00 H
+ATOM 260 HD23 LEU A 15 46.475 14.917 23.660 1.00 0.00 H
+ATOM 261 C LEU A 15 46.825 19.101 22.464 1.00 0.00 C
+ATOM 262 O LEU A 15 46.554 19.284 23.636 1.00 0.00 O
+ATOM 263 N LYS A 16 46.880 20.056 21.564 1.00 0.00 N
+ATOM 264 H LYS A 16 47.013 19.799 20.599 1.00 0.00 H
+ATOM 265 CA LYS A 16 46.616 21.439 21.871 1.00 0.00 C
+ATOM 266 HA LYS A 16 46.218 21.493 22.881 1.00 0.00 H
+ATOM 267 CB LYS A 16 47.933 22.225 21.721 1.00 0.00 C
+ATOM 268 HB2 LYS A 16 48.672 21.793 22.399 1.00 0.00 H
+ATOM 269 HB3 LYS A 16 48.309 22.119 20.703 1.00 0.00 H
+ATOM 270 CG LYS A 16 47.815 23.703 22.039 1.00 0.00 C
+ATOM 271 HG2 LYS A 16 48.818 24.131 22.074 1.00 0.00 H
+ATOM 272 HG3 LYS A 16 47.291 24.186 21.214 1.00 0.00 H
+ATOM 273 CD LYS A 16 47.101 23.989 23.354 1.00 0.00 C
+ATOM 274 HD2 LYS A 16 46.900 23.072 23.855 1.00 0.00 H
+ATOM 275 HD3 LYS A 16 47.843 24.470 23.991 1.00 0.00 H
+ATOM 276 CE LYS A 16 45.926 24.966 23.184 1.00 0.00 C
+ATOM 277 HE2 LYS A 16 45.912 25.287 22.137 1.00 0.00 H
+ATOM 278 HE3 LYS A 16 44.977 24.459 23.351 1.00 0.00 H
+ATOM 279 NZ LYS A 16 46.033 26.163 24.040 1.00 0.00 N1+
+ATOM 280 HZ1 LYS A 16 46.895 26.650 23.817 1.00 0.00 H
+ATOM 281 HZ2 LYS A 16 45.248 26.777 23.889 1.00 0.00 H
+ATOM 282 HZ3 LYS A 16 46.079 25.880 25.013 1.00 0.00 H
+ATOM 283 C LYS A 16 45.532 21.921 20.926 1.00 0.00 C
+ATOM 284 O LYS A 16 45.469 21.439 19.789 1.00 0.00 O
+ATOM 285 N ILE A 17 44.629 22.797 21.404 1.00 0.00 N
+ATOM 286 H ILE A 17 44.601 22.967 22.397 1.00 0.00 H
+ATOM 287 CA ILE A 17 43.559 23.299 20.521 1.00 0.00 C
+ATOM 288 HA ILE A 17 42.877 22.476 20.303 1.00 0.00 H
+ATOM 289 CB ILE A 17 42.758 24.433 21.180 1.00 0.00 C
+ATOM 290 HB ILE A 17 43.450 25.191 21.550 1.00 0.00 H
+ATOM 291 CG2 ILE A 17 41.777 25.113 20.197 1.00 0.00 C
+ATOM 292 HG21 ILE A 17 41.061 24.383 19.814 1.00 0.00 H
+ATOM 293 HG22 ILE A 17 41.239 25.938 20.659 1.00 0.00 H
+ATOM 294 HG23 ILE A 17 42.326 25.545 19.363 1.00 0.00 H
+ATOM 295 CG1 ILE A 17 41.982 23.843 22.346 1.00 0.00 C
+ATOM 296 HG12 ILE A 17 41.304 23.065 21.990 1.00 0.00 H
+ATOM 297 HG13 ILE A 17 42.672 23.397 23.060 1.00 0.00 H
+ATOM 298 CD1 ILE A 17 41.171 24.892 23.097 1.00 0.00 C
+ATOM 299 HD11 ILE A 17 40.333 25.255 22.502 1.00 0.00 H
+ATOM 300 HD12 ILE A 17 40.753 24.434 23.994 1.00 0.00 H
+ATOM 301 HD13 ILE A 17 41.810 25.723 23.395 1.00 0.00 H
+ATOM 302 C ILE A 17 44.152 23.772 19.195 1.00 0.00 C
+ATOM 303 O ILE A 17 45.177 24.470 19.188 1.00 0.00 O
+ATOM 304 N TYR A 18 43.553 23.378 18.075 1.00 0.00 N
+ATOM 305 H TYR A 18 42.716 22.803 18.096 1.00 0.00 H
+ATOM 306 CA TYR A 18 44.056 23.844 16.768 1.00 0.00 C
+ATOM 307 HA TYR A 18 44.589 24.785 16.900 1.00 0.00 H
+ATOM 308 CB TYR A 18 45.041 22.845 16.138 1.00 0.00 C
+ATOM 309 HB2 TYR A 18 45.482 23.293 15.247 1.00 0.00 H
+ATOM 310 HB3 TYR A 18 45.847 22.639 16.844 1.00 0.00 H
+ATOM 311 CG TYR A 18 44.365 21.562 15.774 1.00 0.00 C
+ATOM 312 CD1 TYR A 18 44.115 20.590 16.747 1.00 0.00 C
+ATOM 313 HD1 TYR A 18 44.421 20.755 17.765 1.00 0.00 H
+ATOM 314 CE1 TYR A 18 43.460 19.403 16.409 1.00 0.00 C
+ATOM 315 HE1 TYR A 18 43.289 18.631 17.142 1.00 0.00 H
+ATOM 316 CZ TYR A 18 43.035 19.203 15.084 1.00 0.00 C
+ATOM 317 OH TYR A 18 42.438 18.040 14.715 1.00 0.00 O
+ATOM 318 HH TYR A 18 42.320 17.424 15.437 1.00 0.00 H
+ATOM 319 CE2 TYR A 18 43.282 20.171 14.102 1.00 0.00 C
+ATOM 320 HE2 TYR A 18 42.949 19.996 13.089 1.00 0.00 H
+ATOM 321 CD2 TYR A 18 43.921 21.362 14.462 1.00 0.00 C
+ATOM 322 HD2 TYR A 18 44.087 22.113 13.705 1.00 0.00 H
+ATOM 323 C TYR A 18 42.875 24.151 15.847 1.00 0.00 C
+ATOM 324 O TYR A 18 41.750 23.810 16.194 1.00 0.00 O
+ATOM 325 N LYS A 19 43.105 24.797 14.701 1.00 0.00 N
+ATOM 326 H LYS A 19 44.045 24.979 14.392 1.00 0.00 H
+ATOM 327 CA LYS A 19 42.001 25.012 13.771 1.00 0.00 C
+ATOM 328 HA LYS A 19 41.041 24.895 14.277 1.00 0.00 H
+ATOM 329 CB LYS A 19 41.993 26.368 13.119 1.00 0.00 C
+ATOM 330 HB2 LYS A 19 42.884 26.491 12.500 1.00 0.00 H
+ATOM 331 HB3 LYS A 19 41.116 26.401 12.479 1.00 0.00 H
+ATOM 332 CG LYS A 19 41.913 27.479 14.125 1.00 0.00 C
+ATOM 333 HG2 LYS A 19 41.139 27.271 14.866 1.00 0.00 H
+ATOM 334 HG3 LYS A 19 42.877 27.597 14.622 1.00 0.00 H
+ATOM 335 CD LYS A 19 41.557 28.741 13.374 1.00 0.00 C
+ATOM 336 HD2 LYS A 19 42.183 28.806 12.482 1.00 0.00 H
+ATOM 337 HD3 LYS A 19 40.524 28.693 13.053 1.00 0.00 H
+ATOM 338 CE LYS A 19 41.748 30.022 14.171 1.00 0.00 C
+ATOM 339 HE2 LYS A 19 41.055 30.000 15.021 1.00 0.00 H
+ATOM 340 HE3 LYS A 19 42.767 30.033 14.568 1.00 0.00 H
+ATOM 341 NZ LYS A 19 41.504 31.232 13.357 1.00 0.00 N1+
+ATOM 342 HZ1 LYS A 19 40.549 31.206 13.014 1.00 0.00 H
+ATOM 343 HZ2 LYS A 19 41.619 32.071 13.909 1.00 0.00 H
+ATOM 344 HZ3 LYS A 19 42.128 31.263 12.560 1.00 0.00 H
+ATOM 345 C LYS A 19 42.055 23.973 12.665 1.00 0.00 C
+ATOM 346 O LYS A 19 43.127 23.677 12.104 1.00 0.00 O
+ATOM 347 N ASP A 20 40.899 23.427 12.364 1.00 0.00 N
+ATOM 348 H ASP A 20 40.046 23.683 12.849 1.00 0.00 H
+ATOM 349 CA ASP A 20 40.827 22.428 11.342 1.00 0.00 C
+ATOM 350 HA ASP A 20 41.695 21.776 11.438 1.00 0.00 H
+ATOM 351 CB ASP A 20 39.627 21.532 11.561 1.00 0.00 C
+ATOM 352 HB2 ASP A 20 39.766 20.626 10.969 1.00 0.00 H
+ATOM 353 HB3 ASP A 20 39.603 21.216 12.598 1.00 0.00 H
+ATOM 354 CG ASP A 20 38.298 22.137 11.168 1.00 0.00 C
+ATOM 355 OD1 ASP A 20 38.277 23.337 10.772 1.00 0.00 O1-
+ATOM 356 OD2 ASP A 20 37.288 21.465 11.276 1.00 0.00 O
+ATOM 357 C ASP A 20 40.898 23.032 9.950 1.00 0.00 C
+ATOM 358 O ASP A 20 41.104 24.243 9.790 1.00 0.00 O
+ATOM 359 N THR A 21 40.658 22.197 8.936 1.00 0.00 N
+ATOM 360 H THR A 21 40.330 21.257 9.100 1.00 0.00 H
+ATOM 361 CA THR A 21 40.773 22.695 7.559 1.00 0.00 C
+ATOM 362 HA THR A 21 41.742 23.182 7.472 1.00 0.00 H
+ATOM 363 CB THR A 21 40.724 21.613 6.489 1.00 0.00 C
+ATOM 364 HB THR A 21 40.916 22.047 5.507 1.00 0.00 H
+ATOM 365 CG2 THR A 21 41.765 20.536 6.800 1.00 0.00 C
+ATOM 366 HG21 THR A 21 41.525 20.024 7.732 1.00 0.00 H
+ATOM 367 HG22 THR A 21 41.773 19.806 5.993 1.00 0.00 H
+ATOM 368 HG23 THR A 21 42.753 20.990 6.878 1.00 0.00 H
+ATOM 369 OG1 THR A 21 39.430 21.043 6.519 1.00 0.00 O
+ATOM 370 HG1 THR A 21 39.237 20.706 5.644 1.00 0.00 H
+ATOM 371 C THR A 21 39.762 23.752 7.248 1.00 0.00 C
+ATOM 372 O THR A 21 39.967 24.484 6.282 1.00 0.00 O
+ATOM 373 N GLU A 22 38.689 23.827 8.048 1.00 0.00 N
+ATOM 374 H GLU A 22 38.615 23.251 8.883 1.00 0.00 H
+ATOM 375 CA GLU A 22 37.653 24.849 7.855 1.00 0.00 C
+ATOM 376 HA GLU A 22 37.706 25.223 6.832 1.00 0.00 H
+ATOM 377 CB GLU A 22 36.251 24.299 8.050 1.00 0.00 C
+ATOM 378 HB2 GLU A 22 36.174 23.927 9.071 1.00 0.00 H
+ATOM 379 HB3 GLU A 22 35.503 25.083 7.931 1.00 0.00 H
+ATOM 380 CG GLU A 22 35.990 23.126 7.104 1.00 0.00 C
+ATOM 381 HG2 GLU A 22 36.850 22.463 7.002 1.00 0.00 H
+ATOM 382 HG3 GLU A 22 35.181 22.527 7.528 1.00 0.00 H
+ATOM 383 CD GLU A 22 35.528 23.625 5.758 1.00 0.00 C
+ATOM 384 OE1 GLU A 22 34.501 24.386 5.801 1.00 0.00 O1-
+ATOM 385 OE2 GLU A 22 36.102 23.267 4.710 1.00 0.00 O
+ATOM 386 C GLU A 22 37.851 26.058 8.752 1.00 0.00 C
+ATOM 387 O GLU A 22 37.083 27.010 8.689 1.00 0.00 O
+ATOM 388 N GLY A 23 38.914 26.017 9.557 1.00 0.00 N
+ATOM 389 H GLY A 23 39.464 25.163 9.570 1.00 0.00 H
+ATOM 390 CA GLY A 23 39.243 27.072 10.488 1.00 0.00 C
+ATOM 391 HA2 GLY A 23 40.313 27.047 10.664 1.00 0.00 H
+ATOM 392 HA3 GLY A 23 38.984 28.034 10.047 1.00 0.00 H
+ATOM 393 C GLY A 23 38.488 26.937 11.811 1.00 0.00 C
+ATOM 394 O GLY A 23 38.376 27.924 12.536 1.00 0.00 O
+ATOM 395 N TYR A 24 37.962 25.755 12.155 1.00 0.00 N
+ATOM 396 H TYR A 24 38.038 24.949 11.530 1.00 0.00 H
+ATOM 397 CA TYR A 24 37.227 25.613 13.424 1.00 0.00 C
+ATOM 398 HA TYR A 24 36.917 26.578 13.816 1.00 0.00 H
+ATOM 399 CB TYR A 24 36.070 24.654 13.334 1.00 0.00 C
+ATOM 400 HB2 TYR A 24 36.413 23.668 13.014 1.00 0.00 H
+ATOM 401 HB3 TYR A 24 35.597 24.574 14.309 1.00 0.00 H
+ATOM 402 CG TYR A 24 35.078 25.167 12.396 1.00 0.00 C
+ATOM 403 CD1 TYR A 24 34.720 26.512 12.471 1.00 0.00 C
+ATOM 404 HD1 TYR A 24 35.115 27.176 13.223 1.00 0.00 H
+ATOM 405 CE1 TYR A 24 33.776 27.020 11.586 1.00 0.00 C
+ATOM 406 HE1 TYR A 24 33.489 28.058 11.654 1.00 0.00 H
+ATOM 407 CZ TYR A 24 33.219 26.189 10.599 1.00 0.00 C
+ATOM 408 OH TYR A 24 32.281 26.692 9.737 1.00 0.00 O
+ATOM 409 HH TYR A 24 32.310 27.649 9.724 1.00 0.00 H
+ATOM 410 CE2 TYR A 24 33.593 24.838 10.523 1.00 0.00 C
+ATOM 411 HE2 TYR A 24 33.212 24.221 9.723 1.00 0.00 H
+ATOM 412 CD2 TYR A 24 34.520 24.328 11.435 1.00 0.00 C
+ATOM 413 HD2 TYR A 24 34.876 23.305 11.342 1.00 0.00 H
+ATOM 414 C TYR A 24 38.060 24.958 14.451 1.00 0.00 C
+ATOM 415 O TYR A 24 38.779 24.016 14.118 1.00 0.00 O
+ATOM 416 N TYR A 25 37.910 25.428 15.691 1.00 0.00 N
+ATOM 417 H TYR A 25 37.209 26.130 15.872 1.00 0.00 H
+ATOM 418 CA TYR A 25 38.669 24.888 16.821 1.00 0.00 C
+ATOM 419 HA TYR A 25 39.723 24.978 16.582 1.00 0.00 H
+ATOM 420 CB TYR A 25 38.377 25.697 18.079 1.00 0.00 C
+ATOM 421 HB2 TYR A 25 37.300 25.725 18.253 1.00 0.00 H
+ATOM 422 HB3 TYR A 25 38.843 25.204 18.933 1.00 0.00 H
+ATOM 423 CG TYR A 25 38.927 27.073 17.979 1.00 0.00 C
+ATOM 424 CD1 TYR A 25 40.307 27.257 17.857 1.00 0.00 C
+ATOM 425 HD1 TYR A 25 40.961 26.400 17.795 1.00 0.00 H
+ATOM 426 CE1 TYR A 25 40.837 28.553 17.832 1.00 0.00 C
+ATOM 427 HE1 TYR A 25 41.904 28.698 17.786 1.00 0.00 H
+ATOM 428 CZ TYR A 25 39.974 29.663 17.819 1.00 0.00 C
+ATOM 429 OH TYR A 25 40.470 30.930 17.827 1.00 0.00 O
+ATOM 430 HH TYR A 25 41.423 30.944 17.910 1.00 0.00 H
+ATOM 431 CE2 TYR A 25 38.590 29.474 17.935 1.00 0.00 C
+ATOM 432 HE2 TYR A 25 37.930 30.327 17.954 1.00 0.00 H
+ATOM 433 CD2 TYR A 25 38.072 28.178 18.015 1.00 0.00 C
+ATOM 434 HD2 TYR A 25 37.000 28.037 18.093 1.00 0.00 H
+ATOM 435 C TYR A 25 38.346 23.421 17.070 1.00 0.00 C
+ATOM 436 O TYR A 25 37.193 23.040 17.301 1.00 0.00 O
+ATOM 437 N THR A 26 39.417 22.661 17.084 1.00 0.00 N
+ATOM 438 H THR A 26 40.299 23.087 16.839 1.00 0.00 H
+ATOM 439 CA THR A 26 39.402 21.238 17.205 1.00 0.00 C
+ATOM 440 HA THR A 26 38.443 20.874 17.570 1.00 0.00 H
+ATOM 441 CB THR A 26 39.676 20.675 15.773 1.00 0.00 C
+ATOM 442 HB THR A 26 40.655 21.035 15.453 1.00 0.00 H
+ATOM 443 CG2 THR A 26 39.689 19.155 15.655 1.00 0.00 C
+ATOM 444 HG21 THR A 26 38.712 18.764 15.923 1.00 0.00 H
+ATOM 445 HG22 THR A 26 39.872 18.889 14.614 1.00 0.00 H
+ATOM 446 HG23 THR A 26 40.459 18.695 16.264 1.00 0.00 H
+ATOM 447 OG1 THR A 26 38.724 21.178 14.870 1.00 0.00 O
+ATOM 448 HG1 THR A 26 38.886 20.837 13.985 1.00 0.00 H
+ATOM 449 C THR A 26 40.519 20.837 18.150 1.00 0.00 C
+ATOM 450 O THR A 26 41.440 21.609 18.456 1.00 0.00 O
+ATOM 451 N ILE A 27 40.487 19.582 18.592 1.00 0.00 N
+ATOM 452 H ILE A 27 39.703 18.970 18.368 1.00 0.00 H
+ATOM 453 CA ILE A 27 41.578 19.064 19.401 1.00 0.00 C
+ATOM 454 HA ILE A 27 42.521 19.478 19.047 1.00 0.00 H
+ATOM 455 CB ILE A 27 41.415 19.426 20.910 1.00 0.00 C
+ATOM 456 HB ILE A 27 41.182 20.489 20.978 1.00 0.00 H
+ATOM 457 CG2 ILE A 27 40.216 18.610 21.449 1.00 0.00 C
+ATOM 458 HG21 ILE A 27 40.409 17.537 21.453 1.00 0.00 H
+ATOM 459 HG22 ILE A 27 40.032 18.907 22.476 1.00 0.00 H
+ATOM 460 HG23 ILE A 27 39.312 18.814 20.873 1.00 0.00 H
+ATOM 461 CG1 ILE A 27 42.736 19.172 21.698 1.00 0.00 C
+ATOM 462 HG12 ILE A 27 42.764 18.137 22.036 1.00 0.00 H
+ATOM 463 HG13 ILE A 27 43.575 19.314 21.016 1.00 0.00 H
+ATOM 464 CD1 ILE A 27 43.017 20.074 22.889 1.00 0.00 C
+ATOM 465 HD11 ILE A 27 42.264 19.895 23.655 1.00 0.00 H
+ATOM 466 HD12 ILE A 27 43.999 19.854 23.304 1.00 0.00 H
+ATOM 467 HD13 ILE A 27 42.974 21.115 22.586 1.00 0.00 H
+ATOM 468 C ILE A 27 41.612 17.558 19.205 1.00 0.00 C
+ATOM 469 O ILE A 27 40.645 16.958 18.727 1.00 0.00 O
+ATOM 470 N GLY A 28 42.715 16.946 19.573 1.00 0.00 N
+ATOM 471 H GLY A 28 43.518 17.466 19.901 1.00 0.00 H
+ATOM 472 CA GLY A 28 42.800 15.505 19.549 1.00 0.00 C
+ATOM 473 HA2 GLY A 28 43.696 15.190 20.080 1.00 0.00 H
+ATOM 474 HA3 GLY A 28 41.946 15.101 20.096 1.00 0.00 H
+ATOM 475 C GLY A 28 42.840 14.895 18.167 1.00 0.00 C
+ATOM 476 O GLY A 28 43.625 15.310 17.320 1.00 0.00 O
+ATOM 477 N ILE A 29 41.999 13.887 17.997 1.00 0.00 N
+ATOM 478 H ILE A 29 41.346 13.662 18.733 1.00 0.00 H
+ATOM 479 CA ILE A 29 41.849 13.188 16.731 1.00 0.00 C
+ATOM 480 HA ILE A 29 42.670 13.471 16.071 1.00 0.00 H
+ATOM 481 CB ILE A 29 41.941 11.669 16.877 1.00 0.00 C
+ATOM 482 HB ILE A 29 41.101 11.317 17.478 1.00 0.00 H
+ATOM 483 CG2 ILE A 29 41.890 11.027 15.485 1.00 0.00 C
+ATOM 484 HG21 ILE A 29 42.700 11.392 14.859 1.00 0.00 H
+ATOM 485 HG22 ILE A 29 41.985 9.946 15.584 1.00 0.00 H
+ATOM 486 HG23 ILE A 29 40.941 11.212 14.982 1.00 0.00 H
+ATOM 487 CG1 ILE A 29 43.266 11.299 17.568 1.00 0.00 C
+ATOM 488 HG12 ILE A 29 44.070 11.262 16.835 1.00 0.00 H
+ATOM 489 HG13 ILE A 29 43.540 12.042 18.309 1.00 0.00 H
+ATOM 490 CD1 ILE A 29 43.226 9.976 18.323 1.00 0.00 C
+ATOM 491 HD11 ILE A 29 42.997 9.161 17.637 1.00 0.00 H
+ATOM 492 HD12 ILE A 29 44.196 9.787 18.784 1.00 0.00 H
+ATOM 493 HD13 ILE A 29 42.467 10.016 19.104 1.00 0.00 H
+ATOM 494 C ILE A 29 40.572 13.647 16.034 1.00 0.00 C
+ATOM 495 O ILE A 29 39.550 12.958 15.954 1.00 0.00 O
+ATOM 496 N GLY A 30 40.661 14.876 15.537 1.00 0.00 N
+ATOM 497 H GLY A 30 41.553 15.339 15.560 1.00 0.00 H
+ATOM 498 CA GLY A 30 39.591 15.489 14.806 1.00 0.00 C
+ATOM 499 HA2 GLY A 30 39.935 16.433 14.388 1.00 0.00 H
+ATOM 500 HA3 GLY A 30 39.304 14.845 13.972 1.00 0.00 H
+ATOM 501 C GLY A 30 38.351 15.764 15.635 1.00 0.00 C
+ATOM 502 O GLY A 30 37.261 15.796 15.093 1.00 0.00 O
+ATOM 503 N HIE A 31 38.481 16.021 16.924 1.00 0.00 N
+ATOM 504 H HIE A 31 39.383 16.017 17.374 1.00 0.00 H
+ATOM 505 CA HIE A 31 37.275 16.317 17.705 1.00 0.00 C
+ATOM 506 HA HIE A 31 36.427 15.715 17.360 1.00 0.00 H
+ATOM 507 CB HIE A 31 37.539 15.915 19.168 1.00 0.00 C
+ATOM 508 HB2 HIE A 31 37.763 14.847 19.212 1.00 0.00 H
+ATOM 509 HB3 HIE A 31 38.380 16.468 19.576 1.00 0.00 H
+ATOM 510 CG HIE A 31 36.338 16.189 20.026 1.00 0.00 C
+ATOM 511 ND1 HIE A 31 35.296 15.289 20.110 1.00 0.00 N
+ATOM 512 CE1 HIE A 31 34.341 15.820 20.866 1.00 0.00 C
+ATOM 513 HE1 HIE A 31 33.388 15.340 21.049 1.00 0.00 H
+ATOM 514 NE2 HIE A 31 34.739 17.028 21.316 1.00 0.00 N
+ATOM 515 HE2 HIE A 31 34.157 17.682 21.818 1.00 0.00 H
+ATOM 516 CD2 HIE A 31 36.004 17.285 20.789 1.00 0.00 C
+ATOM 517 HD2 HIE A 31 36.576 18.196 20.870 1.00 0.00 H
+ATOM 518 C HIE A 31 36.908 17.809 17.626 1.00 0.00 C
+ATOM 519 O HIE A 31 37.565 18.641 18.261 1.00 0.00 O
+ATOM 520 N LEU A 32 35.855 18.159 16.870 1.00 0.00 N
+ATOM 521 H LEU A 32 35.375 17.440 16.349 1.00 0.00 H
+ATOM 522 CA LEU A 32 35.441 19.540 16.736 1.00 0.00 C
+ATOM 523 HA LEU A 32 36.300 20.108 16.375 1.00 0.00 H
+ATOM 524 CB LEU A 32 34.310 19.619 15.722 1.00 0.00 C
+ATOM 525 HB2 LEU A 32 34.680 19.325 14.738 1.00 0.00 H
+ATOM 526 HB3 LEU A 32 33.519 18.928 16.020 1.00 0.00 H
+ATOM 527 CG LEU A 32 33.745 21.035 15.676 1.00 0.00 C
+ATOM 528 HG LEU A 32 33.403 21.383 16.648 1.00 0.00 H
+ATOM 529 CD1 LEU A 32 34.793 21.992 15.128 1.00 0.00 C
+ATOM 530 HD11 LEU A 32 35.087 21.700 14.117 1.00 0.00 H
+ATOM 531 HD12 LEU A 32 34.366 22.990 15.105 1.00 0.00 H
+ATOM 532 HD13 LEU A 32 35.687 22.020 15.736 1.00 0.00 H
+ATOM 533 CD2 LEU A 32 32.530 21.068 14.768 1.00 0.00 C
+ATOM 534 HD21 LEU A 32 31.768 20.393 15.160 1.00 0.00 H
+ATOM 535 HD22 LEU A 32 32.135 22.078 14.732 1.00 0.00 H
+ATOM 536 HD23 LEU A 32 32.821 20.747 13.766 1.00 0.00 H
+ATOM 537 C LEU A 32 34.972 20.117 18.050 1.00 0.00 C
+ATOM 538 O LEU A 32 34.159 19.543 18.752 1.00 0.00 O
+ATOM 539 N LEU A 33 35.479 21.252 18.438 1.00 0.00 N
+ATOM 540 H LEU A 33 36.173 21.738 17.883 1.00 0.00 H
+ATOM 541 CA LEU A 33 35.012 21.771 19.702 1.00 0.00 C
+ATOM 542 HA LEU A 33 34.627 20.999 20.365 1.00 0.00 H
+ATOM 543 CB LEU A 33 36.119 22.497 20.455 1.00 0.00 C
+ATOM 544 HB2 LEU A 33 36.550 23.255 19.799 1.00 0.00 H
+ATOM 545 HB3 LEU A 33 35.707 23.011 21.326 1.00 0.00 H
+ATOM 546 CG LEU A 33 37.189 21.522 20.877 1.00 0.00 C
+ATOM 547 HG LEU A 33 37.446 20.811 20.093 1.00 0.00 H
+ATOM 548 CD1 LEU A 33 38.415 22.314 21.240 1.00 0.00 C
+ATOM 549 HD11 LEU A 33 38.182 23.041 22.020 1.00 0.00 H
+ATOM 550 HD12 LEU A 33 39.186 21.637 21.599 1.00 0.00 H
+ATOM 551 HD13 LEU A 33 38.790 22.829 20.355 1.00 0.00 H
+ATOM 552 CD2 LEU A 33 36.685 20.799 22.113 1.00 0.00 C
+ATOM 553 HD21 LEU A 33 35.802 20.204 21.888 1.00 0.00 H
+ATOM 554 HD22 LEU A 33 37.456 20.118 22.467 1.00 0.00 H
+ATOM 555 HD23 LEU A 33 36.445 21.509 22.904 1.00 0.00 H
+ATOM 556 C LEU A 33 33.879 22.718 19.495 1.00 0.00 C
+ATOM 557 O LEU A 33 32.886 22.676 20.214 1.00 0.00 O
+ATOM 558 N THR A 34 34.063 23.617 18.545 1.00 0.00 N
+ATOM 559 H THR A 34 34.915 23.602 17.995 1.00 0.00 H
+ATOM 560 CA THR A 34 33.071 24.637 18.294 1.00 0.00 C
+ATOM 561 HA THR A 34 32.091 24.160 18.296 1.00 0.00 H
+ATOM 562 CB THR A 34 33.048 25.747 19.387 1.00 0.00 C
+ATOM 563 HB THR A 34 32.865 25.279 20.352 1.00 0.00 H
+ATOM 564 CG2 THR A 34 34.314 26.599 19.505 1.00 0.00 C
+ATOM 565 HG21 THR A 34 34.504 27.142 18.579 1.00 0.00 H
+ATOM 566 HG22 THR A 34 34.209 27.311 20.323 1.00 0.00 H
+ATOM 567 HG23 THR A 34 35.163 25.948 19.710 1.00 0.00 H
+ATOM 568 OG1 THR A 34 31.980 26.631 19.124 1.00 0.00 O
+ATOM 569 HG1 THR A 34 31.761 26.995 19.988 1.00 0.00 H
+ATOM 570 C THR A 34 33.272 25.307 16.966 1.00 0.00 C
+ATOM 571 O THR A 34 34.394 25.456 16.484 1.00 0.00 O
+ATOM 572 N LYS A 35 32.159 25.751 16.390 1.00 0.00 N
+ATOM 573 H LYS A 35 31.277 25.654 16.874 1.00 0.00 H
+ATOM 574 CA LYS A 35 32.268 26.530 15.155 1.00 0.00 C
+ATOM 575 HA LYS A 35 33.188 26.266 14.627 1.00 0.00 H
+ATOM 576 CB LYS A 35 31.135 26.327 14.191 1.00 0.00 C
+ATOM 577 HB2 LYS A 35 30.188 26.406 14.727 1.00 0.00 H
+ATOM 578 HB3 LYS A 35 31.159 27.074 13.394 1.00 0.00 H
+ATOM 579 CG LYS A 35 31.285 24.953 13.567 1.00 0.00 C
+ATOM 580 HG2 LYS A 35 32.060 24.996 12.807 1.00 0.00 H
+ATOM 581 HG3 LYS A 35 31.591 24.226 14.318 1.00 0.00 H
+ATOM 582 CD LYS A 35 29.998 24.454 12.952 1.00 0.00 C
+ATOM 583 HD2 LYS A 35 29.298 24.197 13.748 1.00 0.00 H
+ATOM 584 HD3 LYS A 35 29.572 25.265 12.358 1.00 0.00 H
+ATOM 585 CE LYS A 35 30.212 23.251 12.040 1.00 0.00 C
+ATOM 586 HE2 LYS A 35 30.994 23.506 11.314 1.00 0.00 H
+ATOM 587 HE3 LYS A 35 30.587 22.414 12.639 1.00 0.00 H
+ATOM 588 NZ LYS A 35 28.956 22.884 11.335 1.00 0.00 N1+
+ATOM 589 HZ1 LYS A 35 28.664 23.656 10.749 1.00 0.00 H
+ATOM 590 HZ2 LYS A 35 29.132 22.086 10.734 1.00 0.00 H
+ATOM 591 HZ3 LYS A 35 28.222 22.654 11.991 1.00 0.00 H
+ATOM 592 C LYS A 35 32.423 27.990 15.453 1.00 0.00 C
+ATOM 593 O LYS A 35 32.685 28.798 14.579 1.00 0.00 O
+ATOM 594 N SER A 36 32.263 28.319 16.714 1.00 0.00 N
+ATOM 595 H SER A 36 32.154 27.584 17.399 1.00 0.00 H
+ATOM 596 CA SER A 36 32.416 29.657 17.171 1.00 0.00 C
+ATOM 597 HA SER A 36 31.700 30.186 16.555 1.00 0.00 H
+ATOM 598 CB SER A 36 31.910 29.865 18.595 1.00 0.00 C
+ATOM 599 HB2 SER A 36 30.824 29.967 18.592 1.00 0.00 H
+ATOM 600 HB3 SER A 36 32.184 29.007 19.200 1.00 0.00 H
+ATOM 601 OG SER A 36 32.516 30.988 19.208 1.00 0.00 O
+ATOM 602 HG SER A 36 32.157 31.044 20.099 1.00 0.00 H
+ATOM 603 C SER A 36 33.863 30.106 16.984 1.00 0.00 C
+ATOM 604 O SER A 36 34.862 29.373 17.149 1.00 0.00 O
+ATOM 605 N PRO A 37 33.940 31.380 16.650 1.00 0.00 N
+ATOM 606 CD PRO A 37 32.803 32.113 16.088 1.00 0.00 C
+ATOM 607 HD2 PRO A 37 32.085 32.391 16.860 1.00 0.00 H
+ATOM 608 HD3 PRO A 37 32.328 31.543 15.287 1.00 0.00 H
+ATOM 609 CG PRO A 37 33.380 33.352 15.453 1.00 0.00 C
+ATOM 610 HG2 PRO A 37 32.979 34.239 15.944 1.00 0.00 H
+ATOM 611 HG3 PRO A 37 33.134 33.381 14.391 1.00 0.00 H
+ATOM 612 CB PRO A 37 34.883 33.298 15.639 1.00 0.00 C
+ATOM 613 HB2 PRO A 37 35.217 34.187 16.178 1.00 0.00 H
+ATOM 614 HB3 PRO A 37 35.375 33.265 14.666 1.00 0.00 H
+ATOM 615 CA PRO A 37 35.196 32.026 16.409 1.00 0.00 C
+ATOM 616 HA PRO A 37 35.816 31.380 15.784 1.00 0.00 H
+ATOM 617 C PRO A 37 35.974 32.344 17.667 1.00 0.00 C
+ATOM 618 O PRO A 37 37.102 32.785 17.549 1.00 0.00 O
+ATOM 619 N SER A 38 35.404 32.130 18.851 1.00 0.00 N
+ATOM 620 H SER A 38 34.492 31.690 18.872 1.00 0.00 H
+ATOM 621 CA SER A 38 36.070 32.444 20.118 1.00 0.00 C
+ATOM 622 HA SER A 38 36.767 33.265 19.945 1.00 0.00 H
+ATOM 623 CB SER A 38 35.082 32.928 21.181 1.00 0.00 C
+ATOM 624 HB2 SER A 38 34.735 33.930 20.924 1.00 0.00 H
+ATOM 625 HB3 SER A 38 34.230 32.250 21.225 1.00 0.00 H
+ATOM 626 OG SER A 38 35.747 32.938 22.438 1.00 0.00 O
+ATOM 627 HG SER A 38 35.158 33.413 23.036 1.00 0.00 H
+ATOM 628 C SER A 38 36.852 31.284 20.700 1.00 0.00 C
+ATOM 629 O SER A 38 36.293 30.198 20.908 1.00 0.00 O
+ATOM 630 N LEU A 39 38.117 31.563 21.054 1.00 0.00 N
+ATOM 631 H LEU A 39 38.502 32.465 20.807 1.00 0.00 H
+ATOM 632 CA LEU A 39 38.969 30.565 21.665 1.00 0.00 C
+ATOM 633 HA LEU A 39 38.873 29.664 21.057 1.00 0.00 H
+ATOM 634 CB LEU A 39 40.434 31.015 21.631 1.00 0.00 C
+ATOM 635 HB2 LEU A 39 40.739 31.157 20.593 1.00 0.00 H
+ATOM 636 HB3 LEU A 39 40.517 31.974 22.146 1.00 0.00 H
+ATOM 637 CG LEU A 39 41.362 30.015 22.305 1.00 0.00 C
+ATOM 638 HG LEU A 39 41.094 29.875 23.351 1.00 0.00 H
+ATOM 639 CD1 LEU A 39 41.288 28.671 21.573 1.00 0.00 C
+ATOM 640 HD11 LEU A 39 41.489 28.806 20.511 1.00 0.00 H
+ATOM 641 HD12 LEU A 39 42.032 27.994 21.985 1.00 0.00 H
+ATOM 642 HD13 LEU A 39 40.320 28.202 21.701 1.00 0.00 H
+ATOM 643 CD2 LEU A 39 42.780 30.583 22.280 1.00 0.00 C
+ATOM 644 HD21 LEU A 39 42.807 31.537 22.807 1.00 0.00 H
+ATOM 645 HD22 LEU A 39 43.466 29.887 22.759 1.00 0.00 H
+ATOM 646 HD23 LEU A 39 43.099 30.742 21.249 1.00 0.00 H
+ATOM 647 C LEU A 39 38.497 30.213 23.070 1.00 0.00 C
+ATOM 648 O LEU A 39 38.643 29.099 23.562 1.00 0.00 O
+ATOM 649 N ASN A 40 37.886 31.185 23.714 1.00 0.00 N
+ATOM 650 H ASN A 40 37.724 32.064 23.243 1.00 0.00 H
+ATOM 651 CA ASN A 40 37.384 30.977 25.059 1.00 0.00 C
+ATOM 652 HA ASN A 40 38.162 30.525 25.679 1.00 0.00 H
+ATOM 653 CB ASN A 40 36.953 32.290 25.705 1.00 0.00 C
+ATOM 654 HB2 ASN A 40 36.150 32.759 25.140 1.00 0.00 H
+ATOM 655 HB3 ASN A 40 36.600 32.101 26.720 1.00 0.00 H
+ATOM 656 CG ASN A 40 38.145 33.200 25.793 1.00 0.00 C
+ATOM 657 OD1 ASN A 40 39.118 32.871 26.477 1.00 0.00 O
+ATOM 658 ND2 ASN A 40 38.110 34.284 25.018 1.00 0.00 N
+ATOM 659 HD21 ASN A 40 38.898 34.906 25.094 1.00 0.00 H
+ATOM 660 HD22 ASN A 40 37.297 34.530 24.489 1.00 0.00 H
+ATOM 661 C ASN A 40 36.229 30.051 25.036 1.00 0.00 C
+ATOM 662 O ASN A 40 36.133 29.181 25.871 1.00 0.00 O
+ATOM 663 N ALA A 41 35.362 30.256 24.056 1.00 0.00 N
+ATOM 664 H ALA A 41 35.544 30.960 23.354 1.00 0.00 H
+ATOM 665 CA ALA A 41 34.244 29.369 23.899 1.00 0.00 C
+ATOM 666 HA ALA A 41 33.667 29.345 24.826 1.00 0.00 H
+ATOM 667 CB ALA A 41 33.351 29.849 22.777 1.00 0.00 C
+ATOM 668 HB1 ALA A 41 33.895 29.861 21.833 1.00 0.00 H
+ATOM 669 HB2 ALA A 41 32.502 29.170 22.681 1.00 0.00 H
+ATOM 670 HB3 ALA A 41 32.978 30.849 23.001 1.00 0.00 H
+ATOM 671 C ALA A 41 34.772 27.966 23.644 1.00 0.00 C
+ATOM 672 O ALA A 41 34.236 27.003 24.181 1.00 0.00 O
+ATOM 673 N ALA A 42 35.870 27.879 22.885 1.00 0.00 N
+ATOM 674 H ALA A 42 36.197 28.711 22.409 1.00 0.00 H
+ATOM 675 CA ALA A 42 36.489 26.617 22.574 1.00 0.00 C
+ATOM 676 HA ALA A 42 35.728 25.930 22.197 1.00 0.00 H
+ATOM 677 CB ALA A 42 37.556 26.794 21.512 1.00 0.00 C
+ATOM 678 HB1 ALA A 42 38.371 27.400 21.874 1.00 0.00 H
+ATOM 679 HB2 ALA A 42 37.945 25.816 21.230 1.00 0.00 H
+ATOM 680 HB3 ALA A 42 37.120 27.264 20.630 1.00 0.00 H
+ATOM 681 C ALA A 42 37.093 25.998 23.793 1.00 0.00 C
+ATOM 682 O ALA A 42 36.980 24.784 23.988 1.00 0.00 O
+ATOM 683 N LYS A 43 37.732 26.805 24.631 1.00 0.00 N
+ATOM 684 H LYS A 43 37.816 27.785 24.397 1.00 0.00 H
+ATOM 685 CA LYS A 43 38.330 26.277 25.859 1.00 0.00 C
+ATOM 686 HA LYS A 43 38.916 25.384 25.638 1.00 0.00 H
+ATOM 687 CB LYS A 43 39.195 27.302 26.540 1.00 0.00 C
+ATOM 688 HB2 LYS A 43 38.674 28.261 26.547 1.00 0.00 H
+ATOM 689 HB3 LYS A 43 39.368 27.005 27.578 1.00 0.00 H
+ATOM 690 CG LYS A 43 40.537 27.438 25.864 1.00 0.00 C
+ATOM 691 HG2 LYS A 43 41.148 26.570 26.116 1.00 0.00 H
+ATOM 692 HG3 LYS A 43 40.423 27.488 24.781 1.00 0.00 H
+ATOM 693 CD LYS A 43 41.222 28.715 26.345 1.00 0.00 C
+ATOM 694 HD2 LYS A 43 40.721 29.579 25.902 1.00 0.00 H
+ATOM 695 HD3 LYS A 43 41.092 28.784 27.428 1.00 0.00 H
+ATOM 696 CE LYS A 43 42.714 28.772 26.012 1.00 0.00 C
+ATOM 697 HE2 LYS A 43 43.003 27.809 25.585 1.00 0.00 H
+ATOM 698 HE3 LYS A 43 42.861 29.543 25.249 1.00 0.00 H
+ATOM 699 NZ LYS A 43 43.549 29.062 27.202 1.00 0.00 N1+
+ATOM 700 HZ1 LYS A 43 43.424 28.380 27.944 1.00 0.00 H
+ATOM 701 HZ2 LYS A 43 44.537 29.116 26.994 1.00 0.00 H
+ATOM 702 HZ3 LYS A 43 43.283 29.960 27.596 1.00 0.00 H
+ATOM 703 C LYS A 43 37.275 25.840 26.859 1.00 0.00 C
+ATOM 704 O LYS A 43 37.451 24.862 27.569 1.00 0.00 O
+ATOM 705 N SER A 44 36.133 26.495 26.839 1.00 0.00 N
+ATOM 706 H SER A 44 36.056 27.341 26.291 1.00 0.00 H
+ATOM 707 CA SER A 44 35.024 26.116 27.715 1.00 0.00 C
+ATOM 708 HA SER A 44 35.363 26.055 28.752 1.00 0.00 H
+ATOM 709 CB SER A 44 33.877 27.119 27.602 1.00 0.00 C
+ATOM 710 HB2 SER A 44 34.040 27.787 26.756 1.00 0.00 H
+ATOM 711 HB3 SER A 44 32.930 26.599 27.444 1.00 0.00 H
+ATOM 712 OG SER A 44 33.765 27.866 28.771 1.00 0.00 O
+ATOM 713 HG SER A 44 33.054 28.500 28.671 1.00 0.00 H
+ATOM 714 C SER A 44 34.451 24.772 27.325 1.00 0.00 C
+ATOM 715 O SER A 44 34.152 23.947 28.180 1.00 0.00 O
+ATOM 716 N GLU A 45 34.239 24.607 26.018 1.00 0.00 N
+ATOM 717 H GLU A 45 34.452 25.375 25.391 1.00 0.00 H
+ATOM 718 CA GLU A 45 33.712 23.383 25.442 1.00 0.00 C
+ATOM 719 HA GLU A 45 32.761 23.103 25.890 1.00 0.00 H
+ATOM 720 CB GLU A 45 33.607 23.487 23.904 1.00 0.00 C
+ATOM 721 HB2 GLU A 45 34.504 23.958 23.500 1.00 0.00 H
+ATOM 722 HB3 GLU A 45 33.547 22.482 23.483 1.00 0.00 H
+ATOM 723 CG GLU A 45 32.386 24.265 23.424 1.00 0.00 C
+ATOM 724 HG2 GLU A 45 32.462 25.296 23.764 1.00 0.00 H
+ATOM 725 HG3 GLU A 45 32.383 24.277 22.334 1.00 0.00 H
+ATOM 726 CD GLU A 45 31.083 23.654 23.928 1.00 0.00 C
+ATOM 727 OE1 GLU A 45 30.794 22.452 23.811 1.00 0.00 O1-
+ATOM 728 OE2 GLU A 45 30.264 24.474 24.423 1.00 0.00 O
+ATOM 729 C GLU A 45 34.711 22.298 25.734 1.00 0.00 C
+ATOM 730 O GLU A 45 34.333 21.210 26.126 1.00 0.00 O
+ATOM 731 N LEU A 46 36.004 22.595 25.617 1.00 0.00 N
+ATOM 732 H LEU A 46 36.298 23.497 25.260 1.00 0.00 H
+ATOM 733 CA LEU A 46 36.978 21.566 25.941 1.00 0.00 C
+ATOM 734 HA LEU A 46 36.761 20.712 25.299 1.00 0.00 H
+ATOM 735 CB LEU A 46 38.406 22.068 25.645 1.00 0.00 C
+ATOM 736 HB2 LEU A 46 38.464 22.346 24.592 1.00 0.00 H
+ATOM 737 HB3 LEU A 46 38.605 22.955 26.244 1.00 0.00 H
+ATOM 738 CG LEU A 46 39.485 21.019 25.952 1.00 0.00 C
+ATOM 739 HG LEU A 46 39.505 20.799 27.018 1.00 0.00 H
+ATOM 740 CD1 LEU A 46 39.214 19.724 25.175 1.00 0.00 C
+ATOM 741 HD11 LEU A 46 39.087 19.962 24.124 1.00 0.00 H
+ATOM 742 HD12 LEU A 46 40.054 19.045 25.297 1.00 0.00 H
+ATOM 743 HD13 LEU A 46 38.323 19.223 25.546 1.00 0.00 H
+ATOM 744 CD2 LEU A 46 40.857 21.590 25.554 1.00 0.00 C
+ATOM 745 HD21 LEU A 46 40.991 22.525 26.089 1.00 0.00 H
+ATOM 746 HD22 LEU A 46 41.640 20.897 25.855 1.00 0.00 H
+ATOM 747 HD23 LEU A 46 40.890 21.760 24.479 1.00 0.00 H
+ATOM 748 C LEU A 46 36.887 21.063 27.403 1.00 0.00 C
+ATOM 749 O LEU A 46 36.886 19.862 27.709 1.00 0.00 O
+ATOM 750 N ASP A 47 36.829 22.000 28.335 1.00 0.00 N
+ATOM 751 H ASP A 47 36.878 22.980 28.070 1.00 0.00 H
+ATOM 752 CA ASP A 47 36.815 21.647 29.738 1.00 0.00 C
+ATOM 753 HA ASP A 47 37.694 21.041 29.960 1.00 0.00 H
+ATOM 754 CB ASP A 47 36.900 22.931 30.559 1.00 0.00 C
+ATOM 755 HB2 ASP A 47 36.136 23.629 30.209 1.00 0.00 H
+ATOM 756 HB3 ASP A 47 36.669 22.692 31.598 1.00 0.00 H
+ATOM 757 CG ASP A 47 38.265 23.615 30.536 1.00 0.00 C
+ATOM 758 OD1 ASP A 47 39.329 23.091 30.164 1.00 0.00 O1-
+ATOM 759 OD2 ASP A 47 38.219 24.790 30.971 1.00 0.00 O
+ATOM 760 C ASP A 47 35.599 20.823 30.119 1.00 0.00 C
+ATOM 761 O ASP A 47 35.668 19.887 30.922 1.00 0.00 O
+ATOM 762 N LYS A 48 34.484 21.182 29.499 1.00 0.00 N
+ATOM 763 H LYS A 48 34.534 21.993 28.886 1.00 0.00 H
+ATOM 764 CA LYS A 48 33.220 20.500 29.657 1.00 0.00 C
+ATOM 765 HA LYS A 48 32.968 20.423 30.715 1.00 0.00 H
+ATOM 766 CB LYS A 48 32.188 21.377 28.927 1.00 0.00 C
+ATOM 767 HB2 LYS A 48 32.085 22.306 29.491 1.00 0.00 H
+ATOM 768 HB3 LYS A 48 32.557 21.633 27.934 1.00 0.00 H
+ATOM 769 CG LYS A 48 30.805 20.743 28.760 1.00 0.00 C
+ATOM 770 HG2 LYS A 48 30.846 19.975 27.987 1.00 0.00 H
+ATOM 771 HG3 LYS A 48 30.545 20.254 29.700 1.00 0.00 H
+ATOM 772 CD LYS A 48 29.672 21.737 28.440 1.00 0.00 C
+ATOM 773 HD2 LYS A 48 28.713 21.230 28.553 1.00 0.00 H
+ATOM 774 HD3 LYS A 48 29.702 22.532 29.188 1.00 0.00 H
+ATOM 775 CE LYS A 48 29.727 22.386 27.073 1.00 0.00 C
+ATOM 776 HE2 LYS A 48 29.057 23.251 27.038 1.00 0.00 H
+ATOM 777 HE3 LYS A 48 30.739 22.761 26.891 1.00 0.00 H
+ATOM 778 NZ LYS A 48 29.352 21.430 26.016 1.00 0.00 N1+
+ATOM 779 HZ1 LYS A 48 28.371 21.213 26.000 1.00 0.00 H
+ATOM 780 HZ2 LYS A 48 29.598 21.882 25.119 1.00 0.00 H
+ATOM 781 HZ3 LYS A 48 29.924 20.600 26.031 1.00 0.00 H
+ATOM 782 C LYS A 48 33.302 19.061 29.093 1.00 0.00 C
+ATOM 783 O LYS A 48 32.806 18.099 29.671 1.00 0.00 O
+ATOM 784 N ALA A 49 33.983 18.875 27.976 1.00 0.00 N
+ATOM 785 H ALA A 49 34.383 19.672 27.490 1.00 0.00 H
+ATOM 786 CA ALA A 49 34.103 17.541 27.398 1.00 0.00 C
+ATOM 787 HA ALA A 49 33.127 17.053 27.424 1.00 0.00 H
+ATOM 788 CB ALA A 49 34.528 17.630 25.936 1.00 0.00 C
+ATOM 789 HB1 ALA A 49 35.516 18.087 25.863 1.00 0.00 H
+ATOM 790 HB2 ALA A 49 34.564 16.630 25.501 1.00 0.00 H
+ATOM 791 HB3 ALA A 49 33.814 18.236 25.377 1.00 0.00 H
+ATOM 792 C ALA A 49 35.060 16.656 28.181 1.00 0.00 C
+ATOM 793 O ALA A 49 34.845 15.463 28.262 1.00 0.00 O
+ATOM 794 N ILE A 50 36.094 17.236 28.776 1.00 0.00 N
+ATOM 795 H ILE A 50 36.245 18.231 28.627 1.00 0.00 H
+ATOM 796 CA ILE A 50 37.094 16.481 29.513 1.00 0.00 C
+ATOM 797 HA ILE A 50 37.148 15.455 29.153 1.00 0.00 H
+ATOM 798 CB ILE A 50 38.453 17.174 29.383 1.00 0.00 C
+ATOM 799 HB ILE A 50 38.362 18.213 29.708 1.00 0.00 H
+ATOM 800 CG2 ILE A 50 39.537 16.509 30.236 1.00 0.00 C
+ATOM 801 HG21 ILE A 50 39.608 15.441 30.033 1.00 0.00 H
+ATOM 802 HG22 ILE A 50 40.505 16.969 30.033 1.00 0.00 H
+ATOM 803 HG23 ILE A 50 39.320 16.627 31.294 1.00 0.00 H
+ATOM 804 CG1 ILE A 50 38.846 17.165 27.910 1.00 0.00 C
+ATOM 805 HG12 ILE A 50 38.199 17.815 27.332 1.00 0.00 H
+ATOM 806 HG13 ILE A 50 39.862 17.543 27.815 1.00 0.00 H
+ATOM 807 CD1 ILE A 50 38.775 15.765 27.301 1.00 0.00 C
+ATOM 808 HD11 ILE A 50 37.746 15.456 27.115 1.00 0.00 H
+ATOM 809 HD12 ILE A 50 39.283 15.795 26.339 1.00 0.00 H
+ATOM 810 HD13 ILE A 50 39.288 15.027 27.913 1.00 0.00 H
+ATOM 811 C ILE A 50 36.731 16.364 30.955 1.00 0.00 C
+ATOM 812 O ILE A 50 37.111 15.416 31.614 1.00 0.00 O
+ATOM 813 N GLY A 51 35.987 17.313 31.467 1.00 0.00 N
+ATOM 814 H GLY A 51 35.699 18.101 30.901 1.00 0.00 H
+ATOM 815 CA GLY A 51 35.629 17.267 32.882 1.00 0.00 C
+ATOM 816 HA2 GLY A 51 34.741 17.881 33.025 1.00 0.00 H
+ATOM 817 HA3 GLY A 51 35.394 16.247 33.188 1.00 0.00 H
+ATOM 818 C GLY A 51 36.739 17.826 33.809 1.00 0.00 C
+ATOM 819 O GLY A 51 36.935 17.359 34.938 1.00 0.00 O
+ATOM 820 N ARG A 52 37.501 18.813 33.338 1.00 0.00 N
+ATOM 821 H ARG A 52 37.283 19.197 32.421 1.00 0.00 H
+ATOM 822 CA ARG A 52 38.522 19.459 34.150 1.00 0.00 C
+ATOM 823 HA ARG A 52 38.065 19.734 35.101 1.00 0.00 H
+ATOM 824 CB ARG A 52 39.742 18.584 34.428 1.00 0.00 C
+ATOM 825 HB2 ARG A 52 40.275 18.983 35.293 1.00 0.00 H
+ATOM 826 HB3 ARG A 52 39.406 17.586 34.710 1.00 0.00 H
+ATOM 827 CG ARG A 52 40.743 18.458 33.274 1.00 0.00 C
+ATOM 828 HG2 ARG A 52 40.199 18.288 32.350 1.00 0.00 H
+ATOM 829 HG3 ARG A 52 41.276 19.398 33.179 1.00 0.00 H
+ATOM 830 CD ARG A 52 41.690 17.279 33.525 1.00 0.00 C
+ATOM 831 HD2 ARG A 52 42.265 17.455 34.436 1.00 0.00 H
+ATOM 832 HD3 ARG A 52 41.086 16.384 33.686 1.00 0.00 H
+ATOM 833 NE ARG A 52 42.593 17.003 32.409 1.00 0.00 N
+ATOM 834 HE ARG A 52 42.512 16.108 31.907 1.00 0.00 H
+ATOM 835 CZ ARG A 52 43.507 17.865 32.019 1.00 0.00 C
+ATOM 836 NH1 ARG A 52 43.633 19.023 32.639 1.00 0.00 N
+ATOM 837 HH11 ARG A 52 43.014 19.274 33.385 1.00 0.00 H
+ATOM 838 HH12 ARG A 52 44.330 19.671 32.328 1.00 0.00 H
+ATOM 839 NH2 ARG A 52 44.307 17.578 31.017 1.00 0.00 N
+ATOM 840 HH21 ARG A 52 44.070 16.735 30.477 1.00 0.00 H
+ATOM 841 HH22 ARG A 52 44.882 18.278 30.589 1.00 0.00 H
+ATOM 842 C ARG A 52 38.949 20.692 33.466 1.00 0.00 C
+ATOM 843 O ARG A 52 38.611 20.924 32.317 1.00 0.00 O
+ATOM 844 N ASN A 53 39.706 21.456 34.212 1.00 0.00 N
+ATOM 845 H ASN A 53 39.886 21.177 35.162 1.00 0.00 H
+ATOM 846 CA ASN A 53 40.277 22.683 33.730 1.00 0.00 C
+ATOM 847 HA ASN A 53 39.565 23.208 33.082 1.00 0.00 H
+ATOM 848 CB ASN A 53 40.673 23.561 34.925 1.00 0.00 C
+ATOM 849 HB2 ASN A 53 40.298 23.139 35.856 1.00 0.00 H
+ATOM 850 HB3 ASN A 53 41.751 23.677 35.029 1.00 0.00 H
+ATOM 851 CG ASN A 53 40.055 24.922 34.789 1.00 0.00 C
+ATOM 852 OD1 ASN A 53 38.960 25.161 35.297 1.00 0.00 O
+ATOM 853 ND2 ASN A 53 40.726 25.784 34.040 1.00 0.00 N
+ATOM 854 HD21 ASN A 53 40.223 26.629 33.826 1.00 0.00 H
+ATOM 855 HD22 ASN A 53 41.580 25.533 33.592 1.00 0.00 H
+ATOM 856 C ASN A 53 41.501 22.302 32.946 1.00 0.00 C
+ATOM 857 O ASN A 53 42.507 21.910 33.533 1.00 0.00 O
+ATOM 858 N THR A 54 41.396 22.323 31.628 1.00 0.00 N
+ATOM 859 H THR A 54 40.497 22.569 31.221 1.00 0.00 H
+ATOM 860 CA THR A 54 42.471 21.840 30.764 1.00 0.00 C
+ATOM 861 HA THR A 54 43.008 21.044 31.266 1.00 0.00 H
+ATOM 862 CB THR A 54 41.912 21.244 29.462 1.00 0.00 C
+ATOM 863 HB THR A 54 42.733 20.842 28.874 1.00 0.00 H
+ATOM 864 CG2 THR A 54 40.927 20.105 29.778 1.00 0.00 C
+ATOM 865 HG21 THR A 54 40.039 20.481 30.279 1.00 0.00 H
+ATOM 866 HG22 THR A 54 40.617 19.641 28.843 1.00 0.00 H
+ATOM 867 HG23 THR A 54 41.411 19.350 30.393 1.00 0.00 H
+ATOM 868 OG1 THR A 54 41.277 22.280 28.709 1.00 0.00 O
+ATOM 869 HG1 THR A 54 40.450 22.513 29.207 1.00 0.00 H
+ATOM 870 C THR A 54 43.487 22.877 30.376 1.00 0.00 C
+ATOM 871 O THR A 54 44.667 22.570 30.185 1.00 0.00 O
+ATOM 872 N ASN A 55 42.996 24.085 30.188 1.00 0.00 N
+ATOM 873 H ASN A 55 41.995 24.224 30.293 1.00 0.00 H
+ATOM 874 CA ASN A 55 43.853 25.156 29.758 1.00 0.00 C
+ATOM 875 HA ASN A 55 43.271 26.076 29.816 1.00 0.00 H
+ATOM 876 CB ASN A 55 45.075 25.296 30.705 1.00 0.00 C
+ATOM 877 HB2 ASN A 55 44.741 25.266 31.742 1.00 0.00 H
+ATOM 878 HB3 ASN A 55 45.787 24.491 30.558 1.00 0.00 H
+ATOM 879 CG ASN A 55 45.894 26.571 30.534 1.00 0.00 C
+ATOM 880 OD1 ASN A 55 45.367 27.652 30.213 1.00 0.00 O
+ATOM 881 ND2 ASN A 55 47.200 26.434 30.760 1.00 0.00 N
+ATOM 882 HD21 ASN A 55 47.763 27.265 30.737 1.00 0.00 H
+ATOM 883 HD22 ASN A 55 47.572 25.546 31.047 1.00 0.00 H
+ATOM 884 C ASN A 55 44.243 24.949 28.297 1.00 0.00 C
+ATOM 885 O ASN A 55 45.300 25.404 27.851 1.00 0.00 O
+ATOM 886 N GLY A 56 43.375 24.263 27.540 1.00 0.00 N
+ATOM 887 H GLY A 56 42.558 23.844 27.983 1.00 0.00 H
+ATOM 888 CA GLY A 56 43.572 24.037 26.099 1.00 0.00 C
+ATOM 889 HA2 GLY A 56 42.610 23.816 25.644 1.00 0.00 H
+ATOM 890 HA3 GLY A 56 43.948 24.950 25.644 1.00 0.00 H
+ATOM 891 C GLY A 56 44.516 22.919 25.737 1.00 0.00 C
+ATOM 892 O GLY A 56 44.869 22.786 24.582 1.00 0.00 O
+ATOM 893 N VAL A 57 44.917 22.115 26.699 1.00 0.00 N
+ATOM 894 H VAL A 57 44.539 22.208 27.634 1.00 0.00 H
+ATOM 895 CA VAL A 57 45.826 21.005 26.447 1.00 0.00 C
+ATOM 896 HA VAL A 57 45.981 20.843 25.383 1.00 0.00 H
+ATOM 897 CB VAL A 57 47.132 21.356 27.122 1.00 0.00 C
+ATOM 898 HB VAL A 57 47.010 21.404 28.205 1.00 0.00 H
+ATOM 899 CG1 VAL A 57 48.172 20.304 26.763 1.00 0.00 C
+ATOM 900 HG11 VAL A 57 48.266 20.203 25.681 1.00 0.00 H
+ATOM 901 HG12 VAL A 57 49.138 20.596 27.174 1.00 0.00 H
+ATOM 902 HG13 VAL A 57 47.916 19.336 27.194 1.00 0.00 H
+ATOM 903 CG2 VAL A 57 47.587 22.724 26.615 1.00 0.00 C
+ATOM 904 HG21 VAL A 57 46.899 23.540 26.821 1.00 0.00 H
+ATOM 905 HG22 VAL A 57 48.507 22.967 27.147 1.00 0.00 H
+ATOM 906 HG23 VAL A 57 47.862 22.643 25.576 1.00 0.00 H
+ATOM 907 C VAL A 57 45.297 19.733 27.078 1.00 0.00 C
+ATOM 908 O VAL A 57 44.808 19.757 28.195 1.00 0.00 O
+ATOM 909 N ILE A 58 45.415 18.598 26.423 1.00 0.00 N
+ATOM 910 H ILE A 58 45.894 18.578 25.529 1.00 0.00 H
+ATOM 911 CA ILE A 58 44.908 17.345 26.965 1.00 0.00 C
+ATOM 912 HA ILE A 58 44.688 17.425 28.029 1.00 0.00 H
+ATOM 913 CB ILE A 58 43.629 16.870 26.248 1.00 0.00 C
+ATOM 914 HB ILE A 58 43.347 15.915 26.678 1.00 0.00 H
+ATOM 915 CG2 ILE A 58 42.436 17.812 26.497 1.00 0.00 C
+ATOM 916 HG21 ILE A 58 42.605 18.768 26.008 1.00 0.00 H
+ATOM 917 HG22 ILE A 58 41.517 17.360 26.130 1.00 0.00 H
+ATOM 918 HG23 ILE A 58 42.326 17.966 27.571 1.00 0.00 H
+ATOM 919 CG1 ILE A 58 43.883 16.641 24.747 1.00 0.00 C
+ATOM 920 HG12 ILE A 58 44.055 17.591 24.242 1.00 0.00 H
+ATOM 921 HG13 ILE A 58 44.756 16.011 24.602 1.00 0.00 H
+ATOM 922 CD1 ILE A 58 42.714 15.924 24.088 1.00 0.00 C
+ATOM 923 HD11 ILE A 58 41.830 16.561 24.061 1.00 0.00 H
+ATOM 924 HD12 ILE A 58 42.982 15.673 23.061 1.00 0.00 H
+ATOM 925 HD13 ILE A 58 42.487 15.008 24.630 1.00 0.00 H
+ATOM 926 C ILE A 58 45.973 16.296 26.811 1.00 0.00 C
+ATOM 927 O ILE A 58 46.950 16.483 26.089 1.00 0.00 O
+ATOM 928 N THR A 59 45.793 15.170 27.450 1.00 0.00 N
+ATOM 929 H THR A 59 44.957 15.005 28.012 1.00 0.00 H
+ATOM 930 CA THR A 59 46.791 14.147 27.309 1.00 0.00 C
+ATOM 931 HA THR A 59 47.786 14.546 27.115 1.00 0.00 H
+ATOM 932 CB THR A 59 46.824 13.341 28.596 1.00 0.00 C
+ATOM 933 HB THR A 59 47.673 12.657 28.574 1.00 0.00 H
+ATOM 934 CG2 THR A 59 46.939 14.248 29.816 1.00 0.00 C
+ATOM 935 HG21 THR A 59 46.035 14.840 29.964 1.00 0.00 H
+ATOM 936 HG22 THR A 59 47.084 13.631 30.702 1.00 0.00 H
+ATOM 937 HG23 THR A 59 47.798 14.910 29.707 1.00 0.00 H
+ATOM 938 OG1 THR A 59 45.630 12.594 28.666 1.00 0.00 O
+ATOM 939 HG1 THR A 59 45.635 12.076 29.479 1.00 0.00 H
+ATOM 940 C THR A 59 46.380 13.216 26.200 1.00 0.00 C
+ATOM 941 O THR A 59 45.267 13.311 25.736 1.00 0.00 O
+ATOM 942 N LYS A 60 47.249 12.285 25.814 1.00 0.00 N
+ATOM 943 H LYS A 60 48.135 12.243 26.291 1.00 0.00 H
+ATOM 944 CA LYS A 60 46.983 11.280 24.782 1.00 0.00 C
+ATOM 945 HA LYS A 60 46.726 11.784 23.852 1.00 0.00 H
+ATOM 946 CB LYS A 60 48.231 10.434 24.592 1.00 0.00 C
+ATOM 947 HB2 LYS A 60 49.070 11.104 24.396 1.00 0.00 H
+ATOM 948 HB3 LYS A 60 48.450 9.879 25.508 1.00 0.00 H
+ATOM 949 CG LYS A 60 48.073 9.444 23.438 1.00 0.00 C
+ATOM 950 HG2 LYS A 60 48.052 8.436 23.855 1.00 0.00 H
+ATOM 951 HG3 LYS A 60 47.138 9.600 22.898 1.00 0.00 H
+ATOM 952 CD LYS A 60 49.203 9.544 22.420 1.00 0.00 C
+ATOM 953 HD2 LYS A 60 49.058 10.418 21.808 1.00 0.00 H
+ATOM 954 HD3 LYS A 60 50.143 9.677 22.959 1.00 0.00 H
+ATOM 955 CE LYS A 60 49.363 8.273 21.579 1.00 0.00 C
+ATOM 956 HE2 LYS A 60 49.845 7.505 22.194 1.00 0.00 H
+ATOM 957 HE3 LYS A 60 48.352 7.896 21.363 1.00 0.00 H
+ATOM 958 NZ LYS A 60 50.100 8.484 20.306 1.00 0.00 N1+
+ATOM 959 HZ1 LYS A 60 51.045 8.788 20.503 1.00 0.00 H
+ATOM 960 HZ2 LYS A 60 50.144 7.598 19.813 1.00 0.00 H
+ATOM 961 HZ3 LYS A 60 49.609 9.166 19.752 1.00 0.00 H
+ATOM 962 C LYS A 60 45.813 10.378 25.110 1.00 0.00 C
+ATOM 963 O LYS A 60 44.984 10.068 24.246 1.00 0.00 O
+ATOM 964 N ASP A 61 45.761 9.984 26.380 1.00 0.00 N
+ATOM 965 H ASP A 61 46.552 10.112 26.985 1.00 0.00 H
+ATOM 966 CA ASP A 61 44.655 9.173 26.843 1.00 0.00 C
+ATOM 967 HA ASP A 61 44.592 8.263 26.240 1.00 0.00 H
+ATOM 968 CB ASP A 61 44.824 8.784 28.312 1.00 0.00 C
+ATOM 969 HB2 ASP A 61 44.947 9.683 28.921 1.00 0.00 H
+ATOM 970 HB3 ASP A 61 43.931 8.255 28.650 1.00 0.00 H
+ATOM 971 CG ASP A 61 46.017 7.882 28.502 1.00 0.00 C
+ATOM 972 OD1 ASP A 61 46.578 7.482 27.432 1.00 0.00 O1-
+ATOM 973 OD2 ASP A 61 46.388 7.598 29.647 1.00 0.00 O
+ATOM 974 C ASP A 61 43.328 9.915 26.704 1.00 0.00 C
+ATOM 975 O ASP A 61 42.325 9.312 26.329 1.00 0.00 O
+ATOM 976 N GLU A 62 43.286 11.211 27.061 1.00 0.00 N
+ATOM 977 H GLU A 62 44.132 11.672 27.379 1.00 0.00 H
+ATOM 978 CA GLU A 62 42.048 11.971 26.958 1.00 0.00 C
+ATOM 979 HA GLU A 62 41.242 11.467 27.490 1.00 0.00 H
+ATOM 980 CB GLU A 62 42.290 13.353 27.548 1.00 0.00 C
+ATOM 981 HB2 GLU A 62 43.192 13.776 27.116 1.00 0.00 H
+ATOM 982 HB3 GLU A 62 41.446 14.005 27.318 1.00 0.00 H
+ATOM 983 CG GLU A 62 42.443 13.252 29.067 1.00 0.00 C
+ATOM 984 HG2 GLU A 62 41.487 12.903 29.466 1.00 0.00 H
+ATOM 985 HG3 GLU A 62 43.182 12.496 29.329 1.00 0.00 H
+ATOM 986 CD GLU A 62 42.820 14.550 29.756 1.00 0.00 C
+ATOM 987 OE1 GLU A 62 43.457 15.460 29.203 1.00 0.00 O1-
+ATOM 988 OE2 GLU A 62 42.458 14.607 30.963 1.00 0.00 O
+ATOM 989 C GLU A 62 41.648 12.102 25.491 1.00 0.00 C
+ATOM 990 O GLU A 62 40.477 12.019 25.116 1.00 0.00 O
+ATOM 991 N ALA A 63 42.650 12.275 24.634 1.00 0.00 N
+ATOM 992 H ALA A 63 43.599 12.372 24.980 1.00 0.00 H
+ATOM 993 CA ALA A 63 42.358 12.331 23.222 1.00 0.00 C
+ATOM 994 HA ALA A 63 41.675 13.158 23.020 1.00 0.00 H
+ATOM 995 CB ALA A 63 43.656 12.534 22.449 1.00 0.00 C
+ATOM 996 HB1 ALA A 63 44.330 11.691 22.570 1.00 0.00 H
+ATOM 997 HB2 ALA A 63 43.427 12.643 21.389 1.00 0.00 H
+ATOM 998 HB3 ALA A 63 44.150 13.440 22.799 1.00 0.00 H
+ATOM 999 C ALA A 63 41.706 11.039 22.742 1.00 0.00 C
+ATOM 1000 O ALA A 63 40.730 11.073 21.980 1.00 0.00 O
+ATOM 1001 N GLU A 64 42.283 9.905 23.156 1.00 0.00 N
+ATOM 1002 H GLU A 64 43.114 9.942 23.742 1.00 0.00 H
+ATOM 1003 CA GLU A 64 41.817 8.620 22.693 1.00 0.00 C
+ATOM 1004 HA GLU A 64 41.694 8.653 21.610 1.00 0.00 H
+ATOM 1005 CB GLU A 64 42.843 7.551 23.026 1.00 0.00 C
+ATOM 1006 HB2 GLU A 64 43.291 7.772 23.996 1.00 0.00 H
+ATOM 1007 HB3 GLU A 64 42.362 6.571 23.068 1.00 0.00 H
+ATOM 1008 CG GLU A 64 43.884 7.541 21.903 1.00 0.00 C
+ATOM 1009 HG2 GLU A 64 43.437 7.100 21.008 1.00 0.00 H
+ATOM 1010 HG3 GLU A 64 44.167 8.569 21.658 1.00 0.00 H
+ATOM 1011 CD GLU A 64 45.142 6.787 22.272 1.00 0.00 C
+ATOM 1012 OE1 GLU A 64 45.272 6.330 23.414 1.00 0.00 O1-
+ATOM 1013 OE2 GLU A 64 46.020 6.720 21.341 1.00 0.00 O
+ATOM 1014 C GLU A 64 40.465 8.333 23.245 1.00 0.00 C
+ATOM 1015 O GLU A 64 39.623 7.697 22.616 1.00 0.00 O
+ATOM 1016 N LYS A 65 40.184 8.938 24.370 1.00 0.00 N
+ATOM 1017 H LYS A 65 40.920 9.422 24.880 1.00 0.00 H
+ATOM 1018 CA LYS A 65 38.861 8.745 24.945 1.00 0.00 C
+ATOM 1019 HA LYS A 65 38.619 7.684 24.889 1.00 0.00 H
+ATOM 1020 CB LYS A 65 38.821 9.166 26.405 1.00 0.00 C
+ATOM 1021 HB2 LYS A 65 39.605 8.626 26.939 1.00 0.00 H
+ATOM 1022 HB3 LYS A 65 39.002 10.238 26.502 1.00 0.00 H
+ATOM 1023 CG LYS A 65 37.459 8.815 26.995 1.00 0.00 C
+ATOM 1024 HG2 LYS A 65 36.686 9.473 26.596 1.00 0.00 H
+ATOM 1025 HG3 LYS A 65 37.219 7.790 26.701 1.00 0.00 H
+ATOM 1026 CD LYS A 65 37.432 8.890 28.512 1.00 0.00 C
+ATOM 1027 HD2 LYS A 65 38.420 8.658 28.918 1.00 0.00 H
+ATOM 1028 HD3 LYS A 65 37.179 9.915 28.794 1.00 0.00 H
+ATOM 1029 CE LYS A 65 36.429 7.907 29.100 1.00 0.00 C
+ATOM 1030 HE2 LYS A 65 35.528 7.927 28.475 1.00 0.00 H
+ATOM 1031 HE3 LYS A 65 36.853 6.898 29.053 1.00 0.00 H
+ATOM 1032 NZ LYS A 65 36.073 8.266 30.483 1.00 0.00 N1+
+ATOM 1033 HZ1 LYS A 65 35.650 9.189 30.486 1.00 0.00 H
+ATOM 1034 HZ2 LYS A 65 35.409 7.615 30.880 1.00 0.00 H
+ATOM 1035 HZ3 LYS A 65 36.895 8.296 31.075 1.00 0.00 H
+ATOM 1036 C LYS A 65 37.778 9.474 24.145 1.00 0.00 C
+ATOM 1037 O LYS A 65 36.718 8.915 23.849 1.00 0.00 O
+ATOM 1038 N LEU A 66 38.061 10.711 23.744 1.00 0.00 N
+ATOM 1039 H LEU A 66 38.959 11.113 23.998 1.00 0.00 H
+ATOM 1040 CA LEU A 66 37.138 11.472 22.896 1.00 0.00 C
+ATOM 1041 HA LEU A 66 36.161 11.548 23.371 1.00 0.00 H
+ATOM 1042 CB LEU A 66 37.670 12.875 22.547 1.00 0.00 C
+ATOM 1043 HB2 LEU A 66 38.663 12.787 22.105 1.00 0.00 H
+ATOM 1044 HB3 LEU A 66 37.011 13.335 21.806 1.00 0.00 H
+ATOM 1045 CG LEU A 66 37.754 13.783 23.774 1.00 0.00 C
+ATOM 1046 HG LEU A 66 38.362 13.324 24.550 1.00 0.00 H
+ATOM 1047 CD1 LEU A 66 38.377 15.120 23.401 1.00 0.00 C
+ATOM 1048 HD11 LEU A 66 37.791 15.587 22.609 1.00 0.00 H
+ATOM 1049 HD12 LEU A 66 38.390 15.785 24.263 1.00 0.00 H
+ATOM 1050 HD13 LEU A 66 39.397 14.963 23.054 1.00 0.00 H
+ATOM 1051 CD2 LEU A 66 36.367 14.038 24.334 1.00 0.00 C
+ATOM 1052 HD21 LEU A 66 35.958 13.132 24.775 1.00 0.00 H
+ATOM 1053 HD22 LEU A 66 36.424 14.788 25.122 1.00 0.00 H
+ATOM 1054 HD23 LEU A 66 35.705 14.404 23.547 1.00 0.00 H
+ATOM 1055 C LEU A 66 36.921 10.761 21.587 1.00 0.00 C
+ATOM 1056 O LEU A 66 35.813 10.726 21.061 1.00 0.00 O
+ATOM 1057 N PHE A 67 38.018 10.225 21.057 1.00 0.00 N
+ATOM 1058 H PHE A 67 38.917 10.379 21.500 1.00 0.00 H
+ATOM 1059 CA PHE A 67 37.969 9.536 19.782 1.00 0.00 C
+ATOM 1060 HA PHE A 67 37.566 10.224 19.036 1.00 0.00 H
+ATOM 1061 CB PHE A 67 39.396 9.139 19.408 1.00 0.00 C
+ATOM 1062 HB2 PHE A 67 40.009 10.040 19.423 1.00 0.00 H
+ATOM 1063 HB3 PHE A 67 39.785 8.469 20.173 1.00 0.00 H
+ATOM 1064 CG PHE A 67 39.605 8.477 18.042 1.00 0.00 C
+ATOM 1065 CD1 PHE A 67 38.899 8.922 16.912 1.00 0.00 C
+ATOM 1066 HD1 PHE A 67 38.174 9.722 16.995 1.00 0.00 H
+ATOM 1067 CE1 PHE A 67 39.121 8.346 15.659 1.00 0.00 C
+ATOM 1068 HE1 PHE A 67 38.558 8.694 14.803 1.00 0.00 H
+ATOM 1069 CZ PHE A 67 40.079 7.336 15.526 1.00 0.00 C
+ATOM 1070 HZ PHE A 67 40.279 6.908 14.557 1.00 0.00 H
+ATOM 1071 CE2 PHE A 67 40.851 6.928 16.620 1.00 0.00 C
+ATOM 1072 HE2 PHE A 67 41.613 6.168 16.503 1.00 0.00 H
+ATOM 1073 CD2 PHE A 67 40.587 7.484 17.880 1.00 0.00 C
+ATOM 1074 HD2 PHE A 67 41.165 7.162 18.735 1.00 0.00 H
+ATOM 1075 C PHE A 67 37.046 8.334 19.872 1.00 0.00 C
+ATOM 1076 O PHE A 67 36.180 8.144 19.016 1.00 0.00 O
+ATOM 1077 N ASN A 68 37.212 7.523 20.920 1.00 0.00 N
+ATOM 1078 H ASN A 68 37.978 7.696 21.561 1.00 0.00 H
+ATOM 1079 CA ASN A 68 36.332 6.361 21.126 1.00 0.00 C
+ATOM 1080 HA ASN A 68 36.408 5.682 20.277 1.00 0.00 H
+ATOM 1081 CB ASN A 68 36.663 5.613 22.428 1.00 0.00 C
+ATOM 1082 HB2 ASN A 68 36.815 6.324 23.238 1.00 0.00 H
+ATOM 1083 HB3 ASN A 68 35.831 4.960 22.692 1.00 0.00 H
+ATOM 1084 CG ASN A 68 37.882 4.727 22.276 1.00 0.00 C
+ATOM 1085 OD1 ASN A 68 37.996 4.030 21.281 1.00 0.00 O
+ATOM 1086 ND2 ASN A 68 38.816 4.747 23.224 1.00 0.00 N
+ATOM 1087 HD21 ASN A 68 39.632 4.199 23.012 1.00 0.00 H
+ATOM 1088 HD22 ASN A 68 38.844 5.475 23.909 1.00 0.00 H
+ATOM 1089 C ASN A 68 34.893 6.821 21.185 1.00 0.00 C
+ATOM 1090 O ASN A 68 33.974 6.262 20.554 1.00 0.00 O
+ATOM 1091 N GLN A 69 34.685 7.887 21.950 1.00 0.00 N
+ATOM 1092 H GLN A 69 35.446 8.375 22.408 1.00 0.00 H
+ATOM 1093 CA GLN A 69 33.322 8.367 22.035 1.00 0.00 C
+ATOM 1094 HA GLN A 69 32.678 7.543 22.345 1.00 0.00 H
+ATOM 1095 CB GLN A 69 33.138 9.505 23.028 1.00 0.00 C
+ATOM 1096 HB2 GLN A 69 33.824 10.295 22.723 1.00 0.00 H
+ATOM 1097 HB3 GLN A 69 32.112 9.877 22.983 1.00 0.00 H
+ATOM 1098 CG GLN A 69 33.445 9.030 24.449 1.00 0.00 C
+ATOM 1099 HG2 GLN A 69 32.642 8.372 24.783 1.00 0.00 H
+ATOM 1100 HG3 GLN A 69 34.379 8.477 24.485 1.00 0.00 H
+ATOM 1101 CD GLN A 69 33.551 10.198 25.402 1.00 0.00 C
+ATOM 1102 OE1 GLN A 69 33.650 9.997 26.605 1.00 0.00 O
+ATOM 1103 NE2 GLN A 69 33.526 11.423 24.901 1.00 0.00 N
+ATOM 1104 HE21 GLN A 69 33.595 12.178 25.556 1.00 0.00 H
+ATOM 1105 HE22 GLN A 69 33.490 11.593 23.907 1.00 0.00 H
+ATOM 1106 C GLN A 69 32.816 8.836 20.705 1.00 0.00 C
+ATOM 1107 O GLN A 69 31.663 8.607 20.396 1.00 0.00 O
+ATOM 1108 N ASP A 70 33.627 9.530 19.930 1.00 0.00 N
+ATOM 1109 H ASP A 70 34.531 9.838 20.271 1.00 0.00 H
+ATOM 1110 CA ASP A 70 33.154 10.045 18.664 1.00 0.00 C
+ATOM 1111 HA ASP A 70 32.209 10.569 18.821 1.00 0.00 H
+ATOM 1112 CB ASP A 70 34.151 11.053 18.090 1.00 0.00 C
+ATOM 1113 HB2 ASP A 70 35.146 10.604 18.072 1.00 0.00 H
+ATOM 1114 HB3 ASP A 70 33.862 11.291 17.065 1.00 0.00 H
+ATOM 1115 CG ASP A 70 34.187 12.352 18.873 1.00 0.00 C
+ATOM 1116 OD1 ASP A 70 33.238 12.706 19.597 1.00 0.00 O1-
+ATOM 1117 OD2 ASP A 70 35.252 13.009 18.679 1.00 0.00 O
+ATOM 1118 C ASP A 70 32.892 8.953 17.640 1.00 0.00 C
+ATOM 1119 O ASP A 70 31.988 9.100 16.831 1.00 0.00 O
+ATOM 1120 N VAL A 71 33.684 7.883 17.629 1.00 0.00 N
+ATOM 1121 H VAL A 71 34.451 7.844 18.297 1.00 0.00 H
+ATOM 1122 CA VAL A 71 33.468 6.803 16.667 1.00 0.00 C
+ATOM 1123 HA VAL A 71 33.365 7.246 15.677 1.00 0.00 H
+ATOM 1124 CB VAL A 71 34.645 5.827 16.617 1.00 0.00 C
+ATOM 1125 HB VAL A 71 34.876 5.460 17.618 1.00 0.00 H
+ATOM 1126 CG1 VAL A 71 34.250 4.630 15.712 1.00 0.00 C
+ATOM 1127 HG11 VAL A 71 33.922 4.987 14.736 1.00 0.00 H
+ATOM 1128 HG12 VAL A 71 35.119 3.984 15.589 1.00 0.00 H
+ATOM 1129 HG13 VAL A 71 33.463 4.037 16.177 1.00 0.00 H
+ATOM 1130 CG2 VAL A 71 35.878 6.533 16.028 1.00 0.00 C
+ATOM 1131 HG21 VAL A 71 36.163 7.381 16.646 1.00 0.00 H
+ATOM 1132 HG22 VAL A 71 36.716 5.839 15.990 1.00 0.00 H
+ATOM 1133 HG23 VAL A 71 35.662 6.896 15.024 1.00 0.00 H
+ATOM 1134 C VAL A 71 32.148 6.115 16.975 1.00 0.00 C
+ATOM 1135 O VAL A 71 31.274 5.927 16.110 1.00 0.00 O
+ATOM 1136 N ASP A 72 31.990 5.798 18.253 1.00 0.00 N
+ATOM 1137 H ASP A 72 32.716 6.041 18.922 1.00 0.00 H
+ATOM 1138 CA ASP A 72 30.786 5.184 18.727 1.00 0.00 C
+ATOM 1139 HA ASP A 72 30.687 4.209 18.247 1.00 0.00 H
+ATOM 1140 CB ASP A 72 30.931 4.985 20.254 1.00 0.00 C
+ATOM 1141 HB2 ASP A 72 31.883 4.496 20.465 1.00 0.00 H
+ATOM 1142 HB3 ASP A 72 30.918 5.953 20.758 1.00 0.00 H
+ATOM 1143 CG ASP A 72 29.820 4.104 20.816 1.00 0.00 C
+ATOM 1144 OD1 ASP A 72 29.399 3.224 20.032 1.00 0.00 O1-
+ATOM 1145 OD2 ASP A 72 29.368 4.236 21.955 1.00 0.00 O
+ATOM 1146 C ASP A 72 29.559 6.035 18.346 1.00 0.00 C
+ATOM 1147 O ASP A 72 28.543 5.559 17.837 1.00 0.00 O
+ATOM 1148 N ALA A 73 29.629 7.343 18.560 1.00 0.00 N
+ATOM 1149 H ALA A 73 30.474 7.757 18.953 1.00 0.00 H
+ATOM 1150 CA ALA A 73 28.478 8.172 18.229 1.00 0.00 C
+ATOM 1151 HA ALA A 73 27.601 7.761 18.729 1.00 0.00 H
+ATOM 1152 CB ALA A 73 28.672 9.608 18.734 1.00 0.00 C
+ATOM 1153 HB1 ALA A 73 29.537 10.059 18.242 1.00 0.00 H
+ATOM 1154 HB2 ALA A 73 27.787 10.206 18.517 1.00 0.00 H
+ATOM 1155 HB3 ALA A 73 28.851 9.603 19.810 1.00 0.00 H
+ATOM 1156 C ALA A 73 28.175 8.198 16.739 1.00 0.00 C
+ATOM 1157 O ALA A 73 27.017 8.308 16.320 1.00 0.00 O
+ATOM 1158 N ALA A 74 29.212 8.147 15.912 1.00 0.00 N
+ATOM 1159 H ALA A 74 30.161 8.132 16.280 1.00 0.00 H
+ATOM 1160 CA ALA A 74 28.988 8.202 14.470 1.00 0.00 C
+ATOM 1161 HA ALA A 74 28.377 9.079 14.248 1.00 0.00 H
+ATOM 1162 CB ALA A 74 30.294 8.343 13.682 1.00 0.00 C
+ATOM 1163 HB1 ALA A 74 30.942 7.488 13.876 1.00 0.00 H
+ATOM 1164 HB2 ALA A 74 30.086 8.404 12.613 1.00 0.00 H
+ATOM 1165 HB3 ALA A 74 30.817 9.248 13.995 1.00 0.00 H
+ATOM 1166 C ALA A 74 28.224 6.990 13.989 1.00 0.00 C
+ATOM 1167 O ALA A 74 27.242 7.103 13.247 1.00 0.00 O
+ATOM 1168 N VAL A 75 28.708 5.843 14.428 1.00 0.00 N
+ATOM 1169 H VAL A 75 29.520 5.849 15.046 1.00 0.00 H
+ATOM 1170 CA VAL A 75 28.081 4.608 14.069 1.00 0.00 C
+ATOM 1171 HA VAL A 75 28.093 4.466 12.987 1.00 0.00 H
+ATOM 1172 CB VAL A 75 28.782 3.438 14.759 1.00 0.00 C
+ATOM 1173 HB VAL A 75 28.889 3.607 15.831 1.00 0.00 H
+ATOM 1174 CG1 VAL A 75 27.984 2.148 14.500 1.00 0.00 C
+ATOM 1175 HG11 VAL A 75 27.820 1.999 13.432 1.00 0.00 H
+ATOM 1176 HG12 VAL A 75 28.543 1.300 14.895 1.00 0.00 H
+ATOM 1177 HG13 VAL A 75 27.027 2.166 15.022 1.00 0.00 H
+ATOM 1178 CG2 VAL A 75 30.144 3.277 14.116 1.00 0.00 C
+ATOM 1179 HG21 VAL A 75 30.753 4.168 14.266 1.00 0.00 H
+ATOM 1180 HG22 VAL A 75 30.663 2.433 14.570 1.00 0.00 H
+ATOM 1181 HG23 VAL A 75 30.020 3.096 13.052 1.00 0.00 H
+ATOM 1182 C VAL A 75 26.640 4.644 14.515 1.00 0.00 C
+ATOM 1183 O VAL A 75 25.729 4.383 13.726 1.00 0.00 O
+ATOM 1184 N ARG A 76 26.443 4.947 15.808 1.00 0.00 N
+ATOM 1185 H ARG A 76 27.245 5.129 16.413 1.00 0.00 H
+ATOM 1186 CA ARG A 76 25.087 4.942 16.357 1.00 0.00 C
+ATOM 1187 HA ARG A 76 24.650 3.972 16.112 1.00 0.00 H
+ATOM 1188 CB ARG A 76 25.058 5.079 17.897 1.00 0.00 C
+ATOM 1189 HB2 ARG A 76 25.900 5.703 18.192 1.00 0.00 H
+ATOM 1190 HB3 ARG A 76 24.143 5.594 18.192 1.00 0.00 H
+ATOM 1191 CG ARG A 76 25.075 3.709 18.613 1.00 0.00 C
+ATOM 1192 HG2 ARG A 76 24.137 3.183 18.430 1.00 0.00 H
+ATOM 1193 HG3 ARG A 76 25.883 3.117 18.178 1.00 0.00 H
+ATOM 1194 CD ARG A 76 25.334 3.781 20.130 1.00 0.00 C
+ATOM 1195 HD2 ARG A 76 24.400 4.043 20.623 1.00 0.00 H
+ATOM 1196 HD3 ARG A 76 25.635 2.790 20.479 1.00 0.00 H
+ATOM 1197 NE ARG A 76 26.405 4.745 20.448 1.00 0.00 N
+ATOM 1198 HE ARG A 76 27.347 4.481 20.156 1.00 0.00 H
+ATOM 1199 CZ ARG A 76 26.279 5.835 21.224 1.00 0.00 C
+ATOM 1200 NH1 ARG A 76 25.141 6.112 21.855 1.00 0.00 N
+ATOM 1201 HH11 ARG A 76 24.448 5.392 21.868 1.00 0.00 H
+ATOM 1202 HH12 ARG A 76 25.159 6.823 22.561 1.00 0.00 H
+ATOM 1203 NH2 ARG A 76 27.313 6.660 21.378 1.00 0.00 N
+ATOM 1204 HH21 ARG A 76 28.206 6.260 21.119 1.00 0.00 H
+ATOM 1205 HH22 ARG A 76 27.335 7.397 22.053 1.00 0.00 H
+ATOM 1206 C ARG A 76 24.190 5.924 15.600 1.00 0.00 C
+ATOM 1207 O ARG A 76 23.006 5.687 15.350 1.00 0.00 O
+ATOM 1208 N GLY A 77 24.771 7.029 15.173 1.00 0.00 N
+ATOM 1209 H GLY A 77 25.748 7.200 15.387 1.00 0.00 H
+ATOM 1210 CA GLY A 77 24.035 8.024 14.411 1.00 0.00 C
+ATOM 1211 HA2 GLY A 77 23.148 8.344 14.957 1.00 0.00 H
+ATOM 1212 HA3 GLY A 77 24.673 8.895 14.249 1.00 0.00 H
+ATOM 1213 C GLY A 77 23.600 7.523 13.050 1.00 0.00 C
+ATOM 1214 O GLY A 77 22.529 7.840 12.575 1.00 0.00 O
+ATOM 1215 N ILE A 78 24.451 6.755 12.398 1.00 0.00 N
+ATOM 1216 H ILE A 78 25.380 6.616 12.786 1.00 0.00 H
+ATOM 1217 CA ILE A 78 24.121 6.143 11.123 1.00 0.00 C
+ATOM 1218 HA ILE A 78 23.836 6.899 10.389 1.00 0.00 H
+ATOM 1219 CB ILE A 78 25.343 5.335 10.626 1.00 0.00 C
+ATOM 1220 HB ILE A 78 25.806 4.785 11.434 1.00 0.00 H
+ATOM 1221 CG2 ILE A 78 24.866 4.300 9.601 1.00 0.00 C
+ATOM 1222 HG21 ILE A 78 24.300 4.773 8.798 1.00 0.00 H
+ATOM 1223 HG22 ILE A 78 25.724 3.797 9.174 1.00 0.00 H
+ATOM 1224 HG23 ILE A 78 24.277 3.505 10.057 1.00 0.00 H
+ATOM 1225 CG1 ILE A 78 26.407 6.277 10.012 1.00 0.00 C
+ATOM 1226 HG12 ILE A 78 25.986 6.770 9.137 1.00 0.00 H
+ATOM 1227 HG13 ILE A 78 26.655 7.053 10.736 1.00 0.00 H
+ATOM 1228 CD1 ILE A 78 27.709 5.573 9.615 1.00 0.00 C
+ATOM 1229 HD11 ILE A 78 27.553 4.880 8.791 1.00 0.00 H
+ATOM 1230 HD12 ILE A 78 28.430 6.323 9.288 1.00 0.00 H
+ATOM 1231 HD13 ILE A 78 28.118 5.043 10.475 1.00 0.00 H
+ATOM 1232 C ILE A 78 22.931 5.170 11.318 1.00 0.00 C
+ATOM 1233 O ILE A 78 21.942 5.168 10.571 1.00 0.00 O
+ATOM 1234 N LEU A 79 23.017 4.350 12.373 1.00 0.00 N
+ATOM 1235 H LEU A 79 23.862 4.373 12.937 1.00 0.00 H
+ATOM 1236 CA LEU A 79 21.994 3.330 12.627 1.00 0.00 C
+ATOM 1237 HA LEU A 79 21.803 2.810 11.689 1.00 0.00 H
+ATOM 1238 CB LEU A 79 22.457 2.309 13.668 1.00 0.00 C
+ATOM 1239 HB2 LEU A 79 22.643 2.826 14.610 1.00 0.00 H
+ATOM 1240 HB3 LEU A 79 21.668 1.572 13.828 1.00 0.00 H
+ATOM 1241 CG LEU A 79 23.735 1.587 13.231 1.00 0.00 C
+ATOM 1242 HG LEU A 79 24.541 2.295 13.067 1.00 0.00 H
+ATOM 1243 CD1 LEU A 79 24.171 0.613 14.300 1.00 0.00 C
+ATOM 1244 HD11 LEU A 79 23.403 -0.145 14.461 1.00 0.00 H
+ATOM 1245 HD12 LEU A 79 25.098 0.126 13.996 1.00 0.00 H
+ATOM 1246 HD13 LEU A 79 24.355 1.146 15.232 1.00 0.00 H
+ATOM 1247 CD2 LEU A 79 23.522 0.791 11.948 1.00 0.00 C
+ATOM 1248 HD21 LEU A 79 23.333 1.452 11.104 1.00 0.00 H
+ATOM 1249 HD22 LEU A 79 24.427 0.231 11.712 1.00 0.00 H
+ATOM 1250 HD23 LEU A 79 22.695 0.090 12.060 1.00 0.00 H
+ATOM 1251 C LEU A 79 20.661 3.900 13.017 1.00 0.00 C
+ATOM 1252 O LEU A 79 19.652 3.218 12.935 1.00 0.00 O
+ATOM 1253 N ARG A 80 20.665 5.151 13.444 1.00 0.00 N
+ATOM 1254 H ARG A 80 21.558 5.623 13.527 1.00 0.00 H
+ATOM 1255 CA ARG A 80 19.452 5.855 13.839 1.00 0.00 C
+ATOM 1256 HA ARG A 80 18.675 5.153 14.146 1.00 0.00 H
+ATOM 1257 CB ARG A 80 19.733 6.862 14.960 1.00 0.00 C
+ATOM 1258 HB2 ARG A 80 20.593 7.477 14.689 1.00 0.00 H
+ATOM 1259 HB3 ARG A 80 18.870 7.527 15.029 1.00 0.00 H
+ATOM 1260 CG ARG A 80 19.958 6.280 16.354 1.00 0.00 C
+ATOM 1261 HG2 ARG A 80 19.239 5.470 16.484 1.00 0.00 H
+ATOM 1262 HG3 ARG A 80 20.945 5.852 16.475 1.00 0.00 H
+ATOM 1263 CD ARG A 80 19.673 7.310 17.461 1.00 0.00 C
+ATOM 1264 HD2 ARG A 80 18.951 8.055 17.120 1.00 0.00 H
+ATOM 1265 HD3 ARG A 80 19.190 6.774 18.280 1.00 0.00 H
+ATOM 1266 NE ARG A 80 20.873 7.961 18.018 1.00 0.00 N
+ATOM 1267 HE ARG A 80 21.305 7.505 18.801 1.00 0.00 H
+ATOM 1268 CZ ARG A 80 21.425 9.110 17.591 1.00 0.00 C
+ATOM 1269 NH1 ARG A 80 20.945 9.811 16.563 1.00 0.00 N
+ATOM 1270 HH11 ARG A 80 20.195 9.417 16.024 1.00 0.00 H
+ATOM 1271 HH12 ARG A 80 21.398 10.631 16.199 1.00 0.00 H
+ATOM 1272 NH2 ARG A 80 22.502 9.561 18.222 1.00 0.00 N
+ATOM 1273 HH21 ARG A 80 22.933 9.033 18.953 1.00 0.00 H
+ATOM 1274 HH22 ARG A 80 22.953 10.385 17.863 1.00 0.00 H
+ATOM 1275 C ARG A 80 18.876 6.657 12.695 1.00 0.00 C
+ATOM 1276 O ARG A 80 17.783 7.186 12.799 1.00 0.00 O
+ATOM 1277 N ASN A 81 19.635 6.840 11.635 1.00 0.00 N
+ATOM 1278 H ASN A 81 20.557 6.427 11.589 1.00 0.00 H
+ATOM 1279 CA ASN A 81 19.165 7.615 10.520 1.00 0.00 C
+ATOM 1280 HA ASN A 81 18.444 8.351 10.883 1.00 0.00 H
+ATOM 1281 CB ASN A 81 20.299 8.434 9.927 1.00 0.00 C
+ATOM 1282 HB2 ASN A 81 20.804 8.960 10.738 1.00 0.00 H
+ATOM 1283 HB3 ASN A 81 21.028 7.786 9.470 1.00 0.00 H
+ATOM 1284 CG ASN A 81 19.790 9.438 8.932 1.00 0.00 C
+ATOM 1285 OD1 ASN A 81 18.920 9.144 8.113 1.00 0.00 O
+ATOM 1286 ND2 ASN A 81 20.318 10.639 9.011 1.00 0.00 N
+ATOM 1287 HD21 ASN A 81 20.004 11.357 8.390 1.00 0.00 H
+ATOM 1288 HD22 ASN A 81 20.813 10.878 9.875 1.00 0.00 H
+ATOM 1289 C ASN A 81 18.459 6.725 9.504 1.00 0.00 C
+ATOM 1290 O ASN A 81 18.976 5.734 8.991 1.00 0.00 O
+ATOM 1291 N ALA A 82 17.226 7.081 9.205 1.00 0.00 N
+ATOM 1292 H ALA A 82 16.805 7.863 9.687 1.00 0.00 H
+ATOM 1293 CA ALA A 82 16.427 6.293 8.281 1.00 0.00 C
+ATOM 1294 HA ALA A 82 16.473 5.249 8.597 1.00 0.00 H
+ATOM 1295 CB ALA A 82 14.966 6.709 8.299 1.00 0.00 C
+ATOM 1296 HB1 ALA A 82 14.861 7.741 7.962 1.00 0.00 H
+ATOM 1297 HB2 ALA A 82 14.387 6.054 7.647 1.00 0.00 H
+ATOM 1298 HB3 ALA A 82 14.573 6.623 9.313 1.00 0.00 H
+ATOM 1299 C ALA A 82 16.941 6.341 6.871 1.00 0.00 C
+ATOM 1300 O ALA A 82 16.705 5.411 6.109 1.00 0.00 O
+ATOM 1301 N LYS A 83 17.621 7.422 6.513 1.00 0.00 N
+ATOM 1302 H LYS A 83 17.811 8.138 7.207 1.00 0.00 H
+ATOM 1303 CA LYS A 83 18.194 7.543 5.184 1.00 0.00 C
+ATOM 1304 HA LYS A 83 17.524 7.160 4.415 1.00 0.00 H
+ATOM 1305 CB LYS A 83 18.594 8.988 4.912 1.00 0.00 C
+ATOM 1306 HB2 LYS A 83 18.824 9.536 5.818 1.00 0.00 H
+ATOM 1307 HB3 LYS A 83 19.506 9.008 4.310 1.00 0.00 H
+ATOM 1308 CG LYS A 83 17.565 9.766 4.120 1.00 0.00 C
+ATOM 1309 HG2 LYS A 83 17.902 10.795 3.986 1.00 0.00 H
+ATOM 1310 HG3 LYS A 83 17.478 9.302 3.137 1.00 0.00 H
+ATOM 1311 CD LYS A 83 16.209 9.759 4.812 1.00 0.00 C
+ATOM 1312 HD2 LYS A 83 15.958 8.785 5.223 1.00 0.00 H
+ATOM 1313 HD3 LYS A 83 16.245 10.469 5.641 1.00 0.00 H
+ATOM 1314 CE LYS A 83 15.056 10.136 3.874 1.00 0.00 C
+ATOM 1315 HE2 LYS A 83 14.172 10.332 4.491 1.00 0.00 H
+ATOM 1316 HE3 LYS A 83 15.312 11.072 3.368 1.00 0.00 H
+ATOM 1317 NZ LYS A 83 14.740 9.100 2.894 1.00 0.00 N1+
+ATOM 1318 HZ1 LYS A 83 14.477 8.234 3.350 1.00 0.00 H
+ATOM 1319 HZ2 LYS A 83 13.976 9.391 2.296 1.00 0.00 H
+ATOM 1320 HZ3 LYS A 83 15.547 8.920 2.306 1.00 0.00 H
+ATOM 1321 C LYS A 83 19.457 6.724 5.066 1.00 0.00 C
+ATOM 1322 O LYS A 83 19.771 6.147 4.041 1.00 0.00 O
+ATOM 1323 N LEU A 84 20.233 6.744 6.120 1.00 0.00 N
+ATOM 1324 H LEU A 84 19.935 7.260 6.934 1.00 0.00 H
+ATOM 1325 CA LEU A 84 21.545 6.135 6.100 1.00 0.00 C
+ATOM 1326 HA LEU A 84 21.976 6.238 5.104 1.00 0.00 H
+ATOM 1327 CB LEU A 84 22.459 6.862 7.107 1.00 0.00 C
+ATOM 1328 HB2 LEU A 84 22.108 6.691 8.118 1.00 0.00 H
+ATOM 1329 HB3 LEU A 84 23.455 6.432 7.038 1.00 0.00 H
+ATOM 1330 CG LEU A 84 22.536 8.349 6.781 1.00 0.00 C
+ATOM 1331 HG LEU A 84 21.547 8.799 6.846 1.00 0.00 H
+ATOM 1332 CD1 LEU A 84 23.423 9.101 7.767 1.00 0.00 C
+ATOM 1333 HD11 LEU A 84 24.442 8.720 7.724 1.00 0.00 H
+ATOM 1334 HD12 LEU A 84 23.427 10.164 7.522 1.00 0.00 H
+ATOM 1335 HD13 LEU A 84 23.042 8.989 8.783 1.00 0.00 H
+ATOM 1336 CD2 LEU A 84 23.052 8.541 5.352 1.00 0.00 C
+ATOM 1337 HD21 LEU A 84 22.313 8.245 4.610 1.00 0.00 H
+ATOM 1338 HD22 LEU A 84 23.252 9.601 5.190 1.00 0.00 H
+ATOM 1339 HD23 LEU A 84 23.983 7.993 5.204 1.00 0.00 H
+ATOM 1340 C LEU A 84 21.572 4.663 6.363 1.00 0.00 C
+ATOM 1341 O LEU A 84 22.271 3.929 5.705 1.00 0.00 O
+ATOM 1342 N LYS A 85 20.856 4.237 7.372 1.00 0.00 N
+ATOM 1343 H LYS A 85 20.339 4.903 7.941 1.00 0.00 H
+ATOM 1344 CA LYS A 85 20.916 2.862 7.802 1.00 0.00 C
+ATOM 1345 HA LYS A 85 21.899 2.707 8.251 1.00 0.00 H
+ATOM 1346 CB LYS A 85 19.882 2.691 8.892 1.00 0.00 C
+ATOM 1347 HB2 LYS A 85 20.104 3.383 9.706 1.00 0.00 H
+ATOM 1348 HB3 LYS A 85 18.871 2.888 8.550 1.00 0.00 H
+ATOM 1349 CG LYS A 85 19.975 1.285 9.428 1.00 0.00 C
+ATOM 1350 HG2 LYS A 85 19.770 0.562 8.639 1.00 0.00 H
+ATOM 1351 HG3 LYS A 85 20.985 1.113 9.805 1.00 0.00 H
+ATOM 1352 CD LYS A 85 18.986 1.002 10.533 1.00 0.00 C
+ATOM 1353 HD2 LYS A 85 19.114 1.729 11.313 1.00 0.00 H
+ATOM 1354 HD3 LYS A 85 17.967 1.089 10.156 1.00 0.00 H
+ATOM 1355 CE LYS A 85 19.220 -0.392 11.118 1.00 0.00 C
+ATOM 1356 HE2 LYS A 85 20.291 -0.514 11.306 1.00 0.00 H
+ATOM 1357 HE3 LYS A 85 18.705 -0.444 12.080 1.00 0.00 H
+ATOM 1358 NZ LYS A 85 18.745 -1.479 10.254 1.00 0.00 N1+
+ATOM 1359 HZ1 LYS A 85 19.354 -1.543 9.425 1.00 0.00 H
+ATOM 1360 HZ2 LYS A 85 18.885 -2.381 10.686 1.00 0.00 H
+ATOM 1361 HZ3 LYS A 85 17.794 -1.371 9.946 1.00 0.00 H
+ATOM 1362 C LYS A 85 20.784 1.802 6.722 1.00 0.00 C
+ATOM 1363 O LYS A 85 21.521 0.823 6.686 1.00 0.00 O
+ATOM 1364 N PRO A 86 19.813 1.959 5.841 1.00 0.00 N
+ATOM 1365 CD PRO A 86 18.766 2.985 5.749 1.00 0.00 C
+ATOM 1366 HD2 PRO A 86 19.187 3.936 5.432 1.00 0.00 H
+ATOM 1367 HD3 PRO A 86 18.208 3.106 6.672 1.00 0.00 H
+ATOM 1368 CG PRO A 86 17.808 2.506 4.668 1.00 0.00 C
+ATOM 1369 HG2 PRO A 86 17.693 3.272 3.900 1.00 0.00 H
+ATOM 1370 HG3 PRO A 86 16.836 2.286 5.112 1.00 0.00 H
+ATOM 1371 CB PRO A 86 18.398 1.232 4.064 1.00 0.00 C
+ATOM 1372 HB2 PRO A 86 18.628 1.400 3.010 1.00 0.00 H
+ATOM 1373 HB3 PRO A 86 17.686 0.410 4.151 1.00 0.00 H
+ATOM 1374 CA PRO A 86 19.655 0.918 4.858 1.00 0.00 C
+ATOM 1375 HA PRO A 86 19.532 -0.047 5.352 1.00 0.00 H
+ATOM 1376 C PRO A 86 20.852 0.838 3.945 1.00 0.00 C
+ATOM 1377 O PRO A 86 21.185 -0.232 3.447 1.00 0.00 O
+ATOM 1378 N VAL A 87 21.494 1.971 3.693 1.00 0.00 N
+ATOM 1379 H VAL A 87 21.214 2.839 4.129 1.00 0.00 H
+ATOM 1380 CA VAL A 87 22.667 1.934 2.826 1.00 0.00 C
+ATOM 1381 HA VAL A 87 22.422 1.367 1.929 1.00 0.00 H
+ATOM 1382 CB VAL A 87 23.131 3.348 2.375 1.00 0.00 C
+ATOM 1383 HB VAL A 87 23.509 3.887 3.242 1.00 0.00 H
+ATOM 1384 CG1 VAL A 87 24.283 3.238 1.344 1.00 0.00 C
+ATOM 1385 HG11 VAL A 87 23.929 2.715 0.457 1.00 0.00 H
+ATOM 1386 HG12 VAL A 87 24.604 4.238 1.053 1.00 0.00 H
+ATOM 1387 HG13 VAL A 87 25.132 2.696 1.758 1.00 0.00 H
+ATOM 1388 CG2 VAL A 87 21.949 4.159 1.822 1.00 0.00 C
+ATOM 1389 HG21 VAL A 87 21.174 4.279 2.577 1.00 0.00 H
+ATOM 1390 HG22 VAL A 87 22.297 5.150 1.555 1.00 0.00 H
+ATOM 1391 HG23 VAL A 87 21.526 3.668 0.947 1.00 0.00 H
+ATOM 1392 C VAL A 87 23.803 1.219 3.533 1.00 0.00 C
+ATOM 1393 O VAL A 87 24.490 0.339 3.031 1.00 0.00 O
+ATOM 1394 N TYR A 88 24.014 1.653 4.746 1.00 0.00 N
+ATOM 1395 H TYR A 88 23.409 2.371 5.127 1.00 0.00 H
+ATOM 1396 CA TYR A 88 25.062 1.103 5.557 1.00 0.00 C
+ATOM 1397 HA TYR A 88 26.037 1.298 5.114 1.00 0.00 H
+ATOM 1398 CB TYR A 88 24.930 1.808 6.915 1.00 0.00 C
+ATOM 1399 HB2 TYR A 88 24.949 2.882 6.812 1.00 0.00 H
+ATOM 1400 HB3 TYR A 88 23.968 1.561 7.364 1.00 0.00 H
+ATOM 1401 CG TYR A 88 26.013 1.438 7.872 1.00 0.00 C
+ATOM 1402 CD1 TYR A 88 27.259 2.076 7.813 1.00 0.00 C
+ATOM 1403 HD1 TYR A 88 27.425 2.851 7.077 1.00 0.00 H
+ATOM 1404 CE1 TYR A 88 28.284 1.717 8.696 1.00 0.00 C
+ATOM 1405 HE1 TYR A 88 29.247 2.193 8.627 1.00 0.00 H
+ATOM 1406 CZ TYR A 88 28.047 0.720 9.649 1.00 0.00 C
+ATOM 1407 OH TYR A 88 29.050 0.329 10.482 1.00 0.00 O
+ATOM 1408 HH TYR A 88 29.814 0.903 10.406 1.00 0.00 H
+ATOM 1409 CE2 TYR A 88 26.823 0.034 9.661 1.00 0.00 C
+ATOM 1410 HE2 TYR A 88 26.669 -0.764 10.370 1.00 0.00 H
+ATOM 1411 CD2 TYR A 88 25.791 0.417 8.798 1.00 0.00 C
+ATOM 1412 HD2 TYR A 88 24.843 -0.112 8.819 1.00 0.00 H
+ATOM 1413 C TYR A 88 24.869 -0.406 5.723 1.00 0.00 C
+ATOM 1414 O TYR A 88 25.811 -1.200 5.637 1.00 0.00 O
+ATOM 1415 N ASP A 89 23.631 -0.828 5.963 1.00 0.00 N
+ATOM 1416 H ASP A 89 22.880 -0.164 6.113 1.00 0.00 H
+ATOM 1417 CA ASP A 89 23.367 -2.263 6.157 1.00 0.00 C
+ATOM 1418 HA ASP A 89 24.016 -2.650 6.944 1.00 0.00 H
+ATOM 1419 CB ASP A 89 21.897 -2.508 6.513 1.00 0.00 C
+ATOM 1420 HB2 ASP A 89 21.253 -1.840 5.939 1.00 0.00 H
+ATOM 1421 HB3 ASP A 89 21.630 -3.536 6.261 1.00 0.00 H
+ATOM 1422 CG ASP A 89 21.657 -2.333 8.001 1.00 0.00 C
+ATOM 1423 OD1 ASP A 89 22.675 -2.135 8.747 1.00 0.00 O1-
+ATOM 1424 OD2 ASP A 89 20.500 -2.293 8.403 1.00 0.00 O
+ATOM 1425 C ASP A 89 23.707 -3.052 4.916 1.00 0.00 C
+ATOM 1426 O ASP A 89 24.082 -4.224 4.959 1.00 0.00 O
+ATOM 1427 N SER A 90 23.622 -2.393 3.781 1.00 0.00 N
+ATOM 1428 H SER A 90 23.348 -1.417 3.773 1.00 0.00 H
+ATOM 1429 CA SER A 90 23.894 -3.084 2.526 1.00 0.00 C
+ATOM 1430 HA SER A 90 23.440 -4.073 2.587 1.00 0.00 H
+ATOM 1431 CB SER A 90 23.219 -2.383 1.370 1.00 0.00 C
+ATOM 1432 HB2 SER A 90 23.160 -3.062 0.518 1.00 0.00 H
+ATOM 1433 HB3 SER A 90 22.207 -2.094 1.659 1.00 0.00 H
+ATOM 1434 OG SER A 90 23.953 -1.250 1.001 1.00 0.00 O
+ATOM 1435 HG SER A 90 23.335 -0.574 0.722 1.00 0.00 H
+ATOM 1436 C SER A 90 25.352 -3.297 2.194 1.00 0.00 C
+ATOM 1437 O SER A 90 25.683 -4.103 1.302 1.00 0.00 O
+ATOM 1438 N LEU A 91 26.219 -2.532 2.855 1.00 0.00 N
+ATOM 1439 H LEU A 91 25.852 -1.898 3.557 1.00 0.00 H
+ATOM 1440 CA LEU A 91 27.649 -2.537 2.583 1.00 0.00 C
+ATOM 1441 HA LEU A 91 27.809 -2.632 1.511 1.00 0.00 H
+ATOM 1442 CB LEU A 91 28.258 -1.200 3.070 1.00 0.00 C
+ATOM 1443 HB2 LEU A 91 28.038 -1.098 4.131 1.00 0.00 H
+ATOM 1444 HB3 LEU A 91 29.340 -1.216 2.949 1.00 0.00 H
+ATOM 1445 CG LEU A 91 27.683 0.030 2.361 1.00 0.00 C
+ATOM 1446 HG LEU A 91 26.619 0.043 2.415 1.00 0.00 H
+ATOM 1447 CD1 LEU A 91 28.251 1.313 2.960 1.00 0.00 C
+ATOM 1448 HD11 LEU A 91 29.335 1.332 2.863 1.00 0.00 H
+ATOM 1449 HD12 LEU A 91 27.828 2.179 2.450 1.00 0.00 H
+ATOM 1450 HD13 LEU A 91 27.986 1.373 4.014 1.00 0.00 H
+ATOM 1451 CD2 LEU A 91 28.078 -0.004 0.891 1.00 0.00 C
+ATOM 1452 HD21 LEU A 91 27.581 -0.827 0.384 1.00 0.00 H
+ATOM 1453 HD22 LEU A 91 27.735 0.914 0.415 1.00 0.00 H
+ATOM 1454 HD23 LEU A 91 29.158 -0.077 0.781 1.00 0.00 H
+ATOM 1455 C LEU A 91 28.426 -3.651 3.251 1.00 0.00 C
+ATOM 1456 O LEU A 91 28.074 -4.103 4.337 1.00 0.00 O
+ATOM 1457 N ASP A 92 29.552 -4.009 2.638 1.00 0.00 N
+ATOM 1458 H ASP A 92 29.851 -3.553 1.784 1.00 0.00 H
+ATOM 1459 CA ASP A 92 30.497 -4.901 3.277 1.00 0.00 C
+ATOM 1460 HA ASP A 92 29.967 -5.735 3.740 1.00 0.00 H
+ATOM 1461 CB ASP A 92 31.459 -5.449 2.254 1.00 0.00 C
+ATOM 1462 HB2 ASP A 92 32.178 -6.113 2.737 1.00 0.00 H
+ATOM 1463 HB3 ASP A 92 30.904 -6.036 1.520 1.00 0.00 H
+ATOM 1464 CG ASP A 92 32.193 -4.320 1.561 1.00 0.00 C
+ATOM 1465 OD1 ASP A 92 31.582 -3.869 0.531 1.00 0.00 O1-
+ATOM 1466 OD2 ASP A 92 33.309 -3.945 1.968 1.00 0.00 O
+ATOM 1467 C ASP A 92 31.286 -4.151 4.380 1.00 0.00 C
+ATOM 1468 O ASP A 92 31.232 -2.929 4.528 1.00 0.00 O
+ATOM 1469 N ALA A 93 32.049 -4.879 5.196 1.00 0.00 N
+ATOM 1470 H ALA A 93 32.128 -5.872 5.037 1.00 0.00 H
+ATOM 1471 CA ALA A 93 32.773 -4.289 6.318 1.00 0.00 C
+ATOM 1472 HA ALA A 93 32.022 -3.812 6.948 1.00 0.00 H
+ATOM 1473 CB ALA A 93 33.404 -5.396 7.194 1.00 0.00 C
+ATOM 1474 HB1 ALA A 93 34.206 -5.894 6.647 1.00 0.00 H
+ATOM 1475 HB2 ALA A 93 33.817 -4.952 8.101 1.00 0.00 H
+ATOM 1476 HB3 ALA A 93 32.648 -6.131 7.473 1.00 0.00 H
+ATOM 1477 C ALA A 93 33.761 -3.144 5.953 1.00 0.00 C
+ATOM 1478 O ALA A 93 33.842 -2.130 6.673 1.00 0.00 O
+ATOM 1479 N VAL A 94 34.505 -3.284 4.855 1.00 0.00 N
+ATOM 1480 H VAL A 94 34.348 -4.061 4.224 1.00 0.00 H
+ATOM 1481 CA VAL A 94 35.461 -2.255 4.471 1.00 0.00 C
+ATOM 1482 HA VAL A 94 36.083 -2.004 5.331 1.00 0.00 H
+ATOM 1483 CB VAL A 94 36.364 -2.770 3.362 1.00 0.00 C
+ATOM 1484 HB VAL A 94 35.788 -3.098 2.497 1.00 0.00 H
+ATOM 1485 CG1 VAL A 94 37.355 -1.672 2.948 1.00 0.00 C
+ATOM 1486 HG11 VAL A 94 37.899 -1.296 3.814 1.00 0.00 H
+ATOM 1487 HG12 VAL A 94 38.068 -2.083 2.237 1.00 0.00 H
+ATOM 1488 HG13 VAL A 94 36.831 -0.851 2.462 1.00 0.00 H
+ATOM 1489 CG2 VAL A 94 37.151 -3.943 3.955 1.00 0.00 C
+ATOM 1490 HG21 VAL A 94 36.490 -4.772 4.207 1.00 0.00 H
+ATOM 1491 HG22 VAL A 94 37.853 -4.309 3.204 1.00 0.00 H
+ATOM 1492 HG23 VAL A 94 37.706 -3.627 4.837 1.00 0.00 H
+ATOM 1493 C VAL A 94 34.731 -0.984 4.083 1.00 0.00 C
+ATOM 1494 O VAL A 94 35.012 0.136 4.540 1.00 0.00 O
+ATOM 1495 N ARG A 95 33.701 -1.158 3.270 1.00 0.00 N
+ATOM 1496 H ARG A 95 33.486 -2.085 2.897 1.00 0.00 H
+ATOM 1497 CA ARG A 95 32.963 0.026 2.839 1.00 0.00 C
+ATOM 1498 HA ARG A 95 33.697 0.773 2.533 1.00 0.00 H
+ATOM 1499 CB ARG A 95 32.081 -0.191 1.612 1.00 0.00 C
+ATOM 1500 HB2 ARG A 95 31.327 -0.940 1.854 1.00 0.00 H
+ATOM 1501 HB3 ARG A 95 31.582 0.744 1.357 1.00 0.00 H
+ATOM 1502 CG ARG A 95 32.896 -0.684 0.414 1.00 0.00 C
+ATOM 1503 HG2 ARG A 95 33.614 0.082 0.130 1.00 0.00 H
+ATOM 1504 HG3 ARG A 95 33.439 -1.595 0.663 1.00 0.00 H
+ATOM 1505 CD ARG A 95 31.958 -0.981 -0.749 1.00 0.00 C
+ATOM 1506 HD2 ARG A 95 31.328 -1.841 -0.541 1.00 0.00 H
+ATOM 1507 HD3 ARG A 95 31.285 -0.129 -0.858 1.00 0.00 H
+ATOM 1508 NE ARG A 95 32.660 -1.121 -2.023 1.00 0.00 N
+ATOM 1509 HE ARG A 95 32.825 -0.292 -2.579 1.00 0.00 H
+ATOM 1510 CZ ARG A 95 33.070 -2.282 -2.525 1.00 0.00 C
+ATOM 1511 NH1 ARG A 95 32.919 -3.428 -1.859 1.00 0.00 N
+ATOM 1512 HH11 ARG A 95 32.508 -3.417 -0.918 1.00 0.00 H
+ATOM 1513 HH12 ARG A 95 33.353 -4.266 -2.182 1.00 0.00 H
+ATOM 1514 NH2 ARG A 95 33.668 -2.290 -3.708 1.00 0.00 N
+ATOM 1515 HH21 ARG A 95 33.732 -1.425 -4.228 1.00 0.00 H
+ATOM 1516 HH22 ARG A 95 34.148 -3.101 -4.047 1.00 0.00 H
+ATOM 1517 C ARG A 95 32.239 0.660 3.976 1.00 0.00 C
+ATOM 1518 O ARG A 95 32.089 1.869 4.000 1.00 0.00 O
+ATOM 1519 N ARG A 96 31.782 -0.110 4.958 1.00 0.00 N
+ATOM 1520 H ARG A 96 31.863 -1.121 4.888 1.00 0.00 H
+ATOM 1521 CA ARG A 96 31.144 0.527 6.112 1.00 0.00 C
+ATOM 1522 HA ARG A 96 30.272 1.109 5.809 1.00 0.00 H
+ATOM 1523 CB ARG A 96 30.757 -0.541 7.117 1.00 0.00 C
+ATOM 1524 HB2 ARG A 96 31.542 -1.289 7.205 1.00 0.00 H
+ATOM 1525 HB3 ARG A 96 30.607 -0.085 8.096 1.00 0.00 H
+ATOM 1526 CG ARG A 96 29.464 -1.197 6.708 1.00 0.00 C
+ATOM 1527 HG2 ARG A 96 28.654 -0.466 6.743 1.00 0.00 H
+ATOM 1528 HG3 ARG A 96 29.555 -1.545 5.684 1.00 0.00 H
+ATOM 1529 CD ARG A 96 29.091 -2.397 7.585 1.00 0.00 C
+ATOM 1530 HD2 ARG A 96 29.931 -3.092 7.618 1.00 0.00 H
+ATOM 1531 HD3 ARG A 96 28.863 -2.040 8.591 1.00 0.00 H
+ATOM 1532 NE ARG A 96 27.918 -3.072 6.999 1.00 0.00 N
+ATOM 1533 HE ARG A 96 27.620 -2.797 6.068 1.00 0.00 H
+ATOM 1534 CZ ARG A 96 27.230 -4.059 7.538 1.00 0.00 C
+ATOM 1535 NH1 ARG A 96 27.592 -4.521 8.707 1.00 0.00 N
+ATOM 1536 HH11 ARG A 96 28.358 -4.084 9.174 1.00 0.00 H
+ATOM 1537 HH12 ARG A 96 27.044 -5.238 9.134 1.00 0.00 H
+ATOM 1538 NH2 ARG A 96 26.180 -4.590 6.921 1.00 0.00 N
+ATOM 1539 HH21 ARG A 96 25.879 -4.225 6.023 1.00 0.00 H
+ATOM 1540 HH22 ARG A 96 25.606 -5.287 7.348 1.00 0.00 H
+ATOM 1541 C ARG A 96 32.120 1.495 6.782 1.00 0.00 C
+ATOM 1542 O ARG A 96 31.730 2.553 7.258 1.00 0.00 O
+ATOM 1543 N ALA A 97 33.396 1.125 6.831 1.00 0.00 N
+ATOM 1544 H ALA A 97 33.682 0.234 6.441 1.00 0.00 H
+ATOM 1545 CA ALA A 97 34.386 2.000 7.436 1.00 0.00 C
+ATOM 1546 HA ALA A 97 34.070 2.229 8.454 1.00 0.00 H
+ATOM 1547 CB ALA A 97 35.730 1.295 7.518 1.00 0.00 C
+ATOM 1548 HB1 ALA A 97 36.137 1.127 6.522 1.00 0.00 H
+ATOM 1549 HB2 ALA A 97 36.424 1.926 8.072 1.00 0.00 H
+ATOM 1550 HB3 ALA A 97 35.620 0.341 8.034 1.00 0.00 H
+ATOM 1551 C ALA A 97 34.482 3.329 6.686 1.00 0.00 C
+ATOM 1552 O ALA A 97 34.556 4.391 7.305 1.00 0.00 O
+ATOM 1553 N ALA A 98 34.425 3.289 5.349 1.00 0.00 N
+ATOM 1554 H ALA A 98 34.392 2.386 4.888 1.00 0.00 H
+ATOM 1555 CA ALA A 98 34.438 4.514 4.527 1.00 0.00 C
+ATOM 1556 HA ALA A 98 35.327 5.103 4.748 1.00 0.00 H
+ATOM 1557 CB ALA A 98 34.405 4.159 3.034 1.00 0.00 C
+ATOM 1558 HB1 ALA A 98 33.521 3.571 2.795 1.00 0.00 H
+ATOM 1559 HB2 ALA A 98 34.388 5.066 2.432 1.00 0.00 H
+ATOM 1560 HB3 ALA A 98 35.290 3.584 2.775 1.00 0.00 H
+ATOM 1561 C ALA A 98 33.211 5.371 4.855 1.00 0.00 C
+ATOM 1562 O ALA A 98 33.294 6.593 4.933 1.00 0.00 O
+ATOM 1563 N ALA A 99 32.068 4.724 5.074 1.00 0.00 N
+ATOM 1564 H ALA A 99 32.032 3.721 4.929 1.00 0.00 H
+ATOM 1565 CA ALA A 99 30.843 5.430 5.421 1.00 0.00 C
+ATOM 1566 HA ALA A 99 30.634 6.204 4.682 1.00 0.00 H
+ATOM 1567 CB ALA A 99 29.649 4.446 5.466 1.00 0.00 C
+ATOM 1568 HB1 ALA A 99 29.811 3.664 6.202 1.00 0.00 H
+ATOM 1569 HB2 ALA A 99 28.747 4.988 5.739 1.00 0.00 H
+ATOM 1570 HB3 ALA A 99 29.504 3.994 4.485 1.00 0.00 H
+ATOM 1571 C ALA A 99 30.973 6.123 6.776 1.00 0.00 C
+ATOM 1572 O ALA A 99 30.505 7.236 6.979 1.00 0.00 O
+ATOM 1573 N ILE A 100 31.611 5.459 7.733 1.00 0.00 N
+ATOM 1574 H ILE A 100 31.963 4.529 7.541 1.00 0.00 H
+ATOM 1575 CA ILE A 100 31.796 6.053 9.054 1.00 0.00 C
+ATOM 1576 HA ILE A 100 30.835 6.438 9.401 1.00 0.00 H
+ATOM 1577 CB ILE A 100 32.275 5.008 10.089 1.00 0.00 C
+ATOM 1578 HB ILE A 100 33.170 4.537 9.683 1.00 0.00 H
+ATOM 1579 CG2 ILE A 100 32.678 5.663 11.437 1.00 0.00 C
+ATOM 1580 HG21 ILE A 100 31.830 6.222 11.837 1.00 0.00 H
+ATOM 1581 HG22 ILE A 100 32.982 4.920 12.169 1.00 0.00 H
+ATOM 1582 HG23 ILE A 100 33.514 6.347 11.298 1.00 0.00 H
+ATOM 1583 CG1 ILE A 100 31.208 3.901 10.289 1.00 0.00 C
+ATOM 1584 HG12 ILE A 100 30.376 4.312 10.859 1.00 0.00 H
+ATOM 1585 HG13 ILE A 100 30.821 3.575 9.330 1.00 0.00 H
+ATOM 1586 CD1 ILE A 100 31.754 2.682 11.022 1.00 0.00 C
+ATOM 1587 HD11 ILE A 100 32.125 2.941 12.011 1.00 0.00 H
+ATOM 1588 HD12 ILE A 100 30.965 1.944 11.135 1.00 0.00 H
+ATOM 1589 HD13 ILE A 100 32.565 2.239 10.443 1.00 0.00 H
+ATOM 1590 C ILE A 100 32.751 7.248 8.954 1.00 0.00 C
+ATOM 1591 O ILE A 100 32.510 8.324 9.544 1.00 0.00 O
+ATOM 1592 N ASN A 101 33.819 7.070 8.171 1.00 0.00 N
+ATOM 1593 H ASN A 101 33.990 6.167 7.743 1.00 0.00 H
+ATOM 1594 CA ASN A 101 34.764 8.153 7.961 1.00 0.00 C
+ATOM 1595 HA ASN A 101 35.267 8.368 8.903 1.00 0.00 H
+ATOM 1596 CB ASN A 101 35.780 7.680 6.919 1.00 0.00 C
+ATOM 1597 HB2 ASN A 101 36.083 6.660 7.155 1.00 0.00 H
+ATOM 1598 HB3 ASN A 101 35.350 7.678 5.920 1.00 0.00 H
+ATOM 1599 CG ASN A 101 37.017 8.535 6.886 1.00 0.00 C
+ATOM 1600 OD1 ASN A 101 36.911 9.745 6.742 1.00 0.00 O
+ATOM 1601 ND2 ASN A 101 38.193 7.934 7.007 1.00 0.00 N
+ATOM 1602 HD21 ASN A 101 39.053 8.469 6.815 1.00 0.00 H
+ATOM 1603 HD22 ASN A 101 38.276 6.945 7.162 1.00 0.00 H
+ATOM 1604 C ASN A 101 34.068 9.433 7.487 1.00 0.00 C
+ATOM 1605 O ASN A 101 34.273 10.523 8.022 1.00 0.00 O
+ATOM 1606 N MET A 102 33.194 9.301 6.495 1.00 0.00 N
+ATOM 1607 H MET A 102 33.047 8.395 6.066 1.00 0.00 H
+ATOM 1608 CA MET A 102 32.514 10.470 5.976 1.00 0.00 C
+ATOM 1609 HA MET A 102 33.259 11.218 5.697 1.00 0.00 H
+ATOM 1610 CB MET A 102 31.697 10.126 4.726 1.00 0.00 C
+ATOM 1611 HB2 MET A 102 31.067 9.259 4.930 1.00 0.00 H
+ATOM 1612 HB3 MET A 102 31.040 10.972 4.528 1.00 0.00 H
+ATOM 1613 CG MET A 102 32.509 9.862 3.456 1.00 0.00 C
+ATOM 1614 HG2 MET A 102 33.232 10.664 3.299 1.00 0.00 H
+ATOM 1615 HG3 MET A 102 33.038 8.917 3.579 1.00 0.00 H
+ATOM 1616 SD MET A 102 31.419 9.748 2.015 1.00 0.00 S
+ATOM 1617 CE MET A 102 30.902 11.474 1.740 1.00 0.00 C
+ATOM 1618 HE1 MET A 102 31.780 12.095 1.555 1.00 0.00 H
+ATOM 1619 HE2 MET A 102 30.250 11.525 0.868 1.00 0.00 H
+ATOM 1620 HE3 MET A 102 30.363 11.854 2.606 1.00 0.00 H
+ATOM 1621 C MET A 102 31.602 11.125 7.013 1.00 0.00 C
+ATOM 1622 O MET A 102 31.544 12.336 7.139 1.00 0.00 O
+ATOM 1623 N VAL A 103 30.887 10.326 7.775 1.00 0.00 N
+ATOM 1624 H VAL A 103 30.973 9.322 7.671 1.00 0.00 H
+ATOM 1625 CA VAL A 103 30.009 10.900 8.793 1.00 0.00 C
+ATOM 1626 HA VAL A 103 29.395 11.691 8.357 1.00 0.00 H
+ATOM 1627 CB VAL A 103 29.090 9.840 9.397 1.00 0.00 C
+ATOM 1628 HB VAL A 103 29.647 8.931 9.626 1.00 0.00 H
+ATOM 1629 CG1 VAL A 103 28.433 10.365 10.666 1.00 0.00 C
+ATOM 1630 HG11 VAL A 103 27.934 11.316 10.480 1.00 0.00 H
+ATOM 1631 HG12 VAL A 103 27.693 9.644 11.016 1.00 0.00 H
+ATOM 1632 HG13 VAL A 103 29.160 10.482 11.471 1.00 0.00 H
+ATOM 1633 CG2 VAL A 103 27.946 9.525 8.447 1.00 0.00 C
+ATOM 1634 HG21 VAL A 103 28.370 9.164 7.512 1.00 0.00 H
+ATOM 1635 HG22 VAL A 103 27.308 8.754 8.871 1.00 0.00 H
+ATOM 1636 HG23 VAL A 103 27.355 10.419 8.246 1.00 0.00 H
+ATOM 1637 C VAL A 103 30.846 11.548 9.894 1.00 0.00 C
+ATOM 1638 O VAL A 103 30.481 12.588 10.408 1.00 0.00 O
+ATOM 1639 N PHE A 104 31.966 10.952 10.276 1.00 0.00 N
+ATOM 1640 H PHE A 104 32.244 10.080 9.844 1.00 0.00 H
+ATOM 1641 CA PHE A 104 32.803 11.501 11.317 1.00 0.00 C
+ATOM 1642 HA PHE A 104 32.243 11.603 12.248 1.00 0.00 H
+ATOM 1643 CB PHE A 104 33.998 10.537 11.532 1.00 0.00 C
+ATOM 1644 HB2 PHE A 104 33.604 9.551 11.781 1.00 0.00 H
+ATOM 1645 HB3 PHE A 104 34.555 10.438 10.602 1.00 0.00 H
+ATOM 1646 CG PHE A 104 34.974 10.957 12.623 1.00 0.00 C
+ATOM 1647 CD1 PHE A 104 35.946 11.936 12.385 1.00 0.00 C
+ATOM 1648 HD1 PHE A 104 36.008 12.455 11.440 1.00 0.00 H
+ATOM 1649 CE1 PHE A 104 36.817 12.291 13.423 1.00 0.00 C
+ATOM 1650 HE1 PHE A 104 37.530 13.091 13.271 1.00 0.00 H
+ATOM 1651 CZ PHE A 104 36.772 11.638 14.664 1.00 0.00 C
+ATOM 1652 HZ PHE A 104 37.426 11.949 15.463 1.00 0.00 H
+ATOM 1653 CE2 PHE A 104 35.840 10.629 14.899 1.00 0.00 C
+ATOM 1654 HE2 PHE A 104 35.788 10.143 15.862 1.00 0.00 H
+ATOM 1655 CD2 PHE A 104 34.950 10.307 13.868 1.00 0.00 C
+ATOM 1656 HD2 PHE A 104 34.207 9.545 14.053 1.00 0.00 H
+ATOM 1657 C PHE A 104 33.284 12.883 10.898 1.00 0.00 C
+ATOM 1658 O PHE A 104 33.343 13.839 11.656 1.00 0.00 O
+ATOM 1659 N GLN A 105 33.582 13.002 9.624 1.00 0.00 N
+ATOM 1660 H GLN A 105 33.592 12.166 9.050 1.00 0.00 H
+ATOM 1661 CA GLN A 105 34.101 14.233 9.075 1.00 0.00 C
+ATOM 1662 HA GLN A 105 34.836 14.633 9.778 1.00 0.00 H
+ATOM 1663 CB GLN A 105 34.849 13.954 7.741 1.00 0.00 C
+ATOM 1664 HB2 GLN A 105 35.603 13.186 7.910 1.00 0.00 H
+ATOM 1665 HB3 GLN A 105 34.139 13.574 7.005 1.00 0.00 H
+ATOM 1666 CG GLN A 105 35.547 15.212 7.162 1.00 0.00 C
+ATOM 1667 HG2 GLN A 105 34.820 16.017 7.074 1.00 0.00 H
+ATOM 1668 HG3 GLN A 105 36.307 15.538 7.873 1.00 0.00 H
+ATOM 1669 CD GLN A 105 36.214 15.086 5.771 1.00 0.00 C
+ATOM 1670 OE1 GLN A 105 36.148 14.071 5.069 1.00 0.00 O
+ATOM 1671 NE2 GLN A 105 36.845 16.177 5.327 1.00 0.00 N
+ATOM 1672 HE21 GLN A 105 37.050 16.236 4.352 1.00 0.00 H
+ATOM 1673 HE22 GLN A 105 36.840 16.999 5.915 1.00 0.00 H
+ATOM 1674 C GLN A 105 33.056 15.306 8.870 1.00 0.00 C
+ATOM 1675 O GLN A 105 33.298 16.464 9.153 1.00 0.00 O
+ATOM 1676 N MET A 106 31.930 14.963 8.275 1.00 0.00 N
+ATOM 1677 H MET A 106 31.779 13.992 8.027 1.00 0.00 H
+ATOM 1678 CA MET A 106 30.956 15.970 7.874 1.00 0.00 C
+ATOM 1679 HA MET A 106 31.331 16.956 8.148 1.00 0.00 H
+ATOM 1680 CB MET A 106 30.838 16.034 6.332 1.00 0.00 C
+ATOM 1681 HB2 MET A 106 30.328 16.961 6.067 1.00 0.00 H
+ATOM 1682 HB3 MET A 106 31.853 16.113 5.949 1.00 0.00 H
+ATOM 1683 CG MET A 106 30.119 14.906 5.634 1.00 0.00 C
+ATOM 1684 HG2 MET A 106 30.525 13.950 5.927 1.00 0.00 H
+ATOM 1685 HG3 MET A 106 29.064 14.958 5.895 1.00 0.00 H
+ATOM 1686 SD MET A 106 30.301 15.092 3.852 1.00 0.00 S
+ATOM 1687 CE MET A 106 32.060 14.820 3.639 1.00 0.00 C
+ATOM 1688 HE1 MET A 106 32.355 13.902 4.150 1.00 0.00 H
+ATOM 1689 HE2 MET A 106 32.239 14.695 2.574 1.00 0.00 H
+ATOM 1690 HE3 MET A 106 32.641 15.659 4.016 1.00 0.00 H
+ATOM 1691 C MET A 106 29.629 15.903 8.569 1.00 0.00 C
+ATOM 1692 O MET A 106 28.735 16.690 8.286 1.00 0.00 O
+ATOM 1693 N GLY A 107 29.462 14.970 9.470 1.00 0.00 N
+ATOM 1694 H GLY A 107 30.190 14.295 9.683 1.00 0.00 H
+ATOM 1695 CA GLY A 107 28.210 14.908 10.152 1.00 0.00 C
+ATOM 1696 HA2 GLY A 107 28.347 14.303 11.050 1.00 0.00 H
+ATOM 1697 HA3 GLY A 107 27.870 15.898 10.457 1.00 0.00 H
+ATOM 1698 C GLY A 107 27.165 14.274 9.293 1.00 0.00 C
+ATOM 1699 O GLY A 107 27.223 14.207 8.068 1.00 0.00 O
+ATOM 1700 N GLU A 108 26.203 13.748 10.003 1.00 0.00 N
+ATOM 1701 H GLU A 108 26.243 13.790 11.010 1.00 0.00 H
+ATOM 1702 CA GLU A 108 25.135 12.971 9.383 1.00 0.00 C
+ATOM 1703 HA GLU A 108 25.631 12.236 8.747 1.00 0.00 H
+ATOM 1704 CB GLU A 108 24.385 12.146 10.424 1.00 0.00 C
+ATOM 1705 HB2 GLU A 108 24.390 11.114 10.066 1.00 0.00 H
+ATOM 1706 HB3 GLU A 108 24.981 12.197 11.338 1.00 0.00 H
+ATOM 1707 CG GLU A 108 22.937 12.554 10.694 1.00 0.00 C
+ATOM 1708 HG2 GLU A 108 22.904 13.559 11.122 1.00 0.00 H
+ATOM 1709 HG3 GLU A 108 22.353 12.525 9.771 1.00 0.00 H
+ATOM 1710 CD GLU A 108 22.404 11.543 11.666 1.00 0.00 C
+ATOM 1711 OE1 GLU A 108 23.311 10.976 12.369 1.00 0.00 O1-
+ATOM 1712 OE2 GLU A 108 21.186 11.302 11.706 1.00 0.00 O
+ATOM 1713 C GLU A 108 24.298 13.777 8.438 1.00 0.00 C
+ATOM 1714 O GLU A 108 23.718 13.310 7.466 1.00 0.00 O
+ATOM 1715 N THR A 109 24.326 15.038 8.726 1.00 0.00 N
+ATOM 1716 H THR A 109 24.859 15.355 9.522 1.00 0.00 H
+ATOM 1717 CA THR A 109 23.658 16.013 7.953 1.00 0.00 C
+ATOM 1718 HA THR A 109 22.637 15.713 7.714 1.00 0.00 H
+ATOM 1719 CB THR A 109 23.693 17.305 8.739 1.00 0.00 C
+ATOM 1720 HB THR A 109 23.604 18.165 8.074 1.00 0.00 H
+ATOM 1721 CG2 THR A 109 22.498 17.280 9.682 1.00 0.00 C
+ATOM 1722 HG21 THR A 109 22.557 16.423 10.355 1.00 0.00 H
+ATOM 1723 HG22 THR A 109 22.482 18.195 10.272 1.00 0.00 H
+ATOM 1724 HG23 THR A 109 21.571 17.222 9.110 1.00 0.00 H
+ATOM 1725 OG1 THR A 109 24.923 17.357 9.463 1.00 0.00 O
+ATOM 1726 HG1 THR A 109 24.871 18.125 10.036 1.00 0.00 H
+ATOM 1727 C THR A 109 24.399 16.221 6.684 1.00 0.00 C
+ATOM 1728 O THR A 109 23.810 16.166 5.609 1.00 0.00 O
+ATOM 1729 N GLY A 110 25.692 16.489 6.831 1.00 0.00 N
+ATOM 1730 H GLY A 110 26.102 16.511 7.756 1.00 0.00 H
+ATOM 1731 CA GLY A 110 26.523 16.718 5.681 1.00 0.00 C
+ATOM 1732 HA2 GLY A 110 26.247 17.659 5.204 1.00 0.00 H
+ATOM 1733 HA3 GLY A 110 27.567 16.762 5.987 1.00 0.00 H
+ATOM 1734 C GLY A 110 26.358 15.591 4.671 1.00 0.00 C
+ATOM 1735 O GLY A 110 26.186 15.822 3.470 1.00 0.00 O
+ATOM 1736 N VAL A 111 26.368 14.368 5.179 1.00 0.00 N
+ATOM 1737 H VAL A 111 26.507 14.260 6.180 1.00 0.00 H
+ATOM 1738 CA VAL A 111 26.296 13.186 4.332 1.00 0.00 C
+ATOM 1739 HA VAL A 111 26.979 13.313 3.490 1.00 0.00 H
+ATOM 1740 CB VAL A 111 26.745 12.005 5.146 1.00 0.00 C
+ATOM 1741 HB VAL A 111 26.216 11.950 6.099 1.00 0.00 H
+ATOM 1742 CG1 VAL A 111 26.514 10.722 4.366 1.00 0.00 C
+ATOM 1743 HG11 VAL A 111 26.998 10.768 3.389 1.00 0.00 H
+ATOM 1744 HG12 VAL A 111 26.932 9.898 4.938 1.00 0.00 H
+ATOM 1745 HG13 VAL A 111 25.453 10.505 4.251 1.00 0.00 H
+ATOM 1746 CG2 VAL A 111 28.229 12.219 5.379 1.00 0.00 C
+ATOM 1747 HG21 VAL A 111 28.375 12.976 6.142 1.00 0.00 H
+ATOM 1748 HG22 VAL A 111 28.658 11.302 5.779 1.00 0.00 H
+ATOM 1749 HG23 VAL A 111 28.756 12.476 4.460 1.00 0.00 H
+ATOM 1750 C VAL A 111 24.938 12.940 3.730 1.00 0.00 C
+ATOM 1751 O VAL A 111 24.814 12.477 2.591 1.00 0.00 O
+ATOM 1752 N ALA A 112 23.915 13.246 4.512 1.00 0.00 N
+ATOM 1753 H ALA A 112 24.078 13.603 5.448 1.00 0.00 H
+ATOM 1754 CA ALA A 112 22.553 13.071 4.080 1.00 0.00 C
+ATOM 1755 HA ALA A 112 22.410 12.010 3.873 1.00 0.00 H
+ATOM 1756 CB ALA A 112 21.583 13.439 5.202 1.00 0.00 C
+ATOM 1757 HB1 ALA A 112 21.730 14.476 5.503 1.00 0.00 H
+ATOM 1758 HB2 ALA A 112 20.560 13.313 4.847 1.00 0.00 H
+ATOM 1759 HB3 ALA A 112 21.734 12.778 6.054 1.00 0.00 H
+ATOM 1760 C ALA A 112 22.286 13.800 2.750 1.00 0.00 C
+ATOM 1761 O ALA A 112 21.321 13.478 2.059 1.00 0.00 O
+ATOM 1762 N GLY A 113 23.176 14.741 2.364 1.00 0.00 N
+ATOM 1763 H GLY A 113 23.917 14.967 3.015 1.00 0.00 H
+ATOM 1764 CA GLY A 113 23.145 15.513 1.087 1.00 0.00 C
+ATOM 1765 HA2 GLY A 113 22.107 15.725 0.828 1.00 0.00 H
+ATOM 1766 HA3 GLY A 113 23.652 16.464 1.248 1.00 0.00 H
+ATOM 1767 C GLY A 113 23.814 14.839 -0.153 1.00 0.00 C
+ATOM 1768 O GLY A 113 23.920 15.362 -1.280 1.00 0.00 O
+ATOM 1769 N PHE A 114 24.305 13.635 0.043 1.00 0.00 N
+ATOM 1770 H PHE A 114 24.283 13.244 0.980 1.00 0.00 H
+ATOM 1771 CA PHE A 114 24.906 12.841 -1.005 1.00 0.00 C
+ATOM 1772 HA PHE A 114 25.171 13.461 -1.863 1.00 0.00 H
+ATOM 1773 CB PHE A 114 26.201 12.185 -0.484 1.00 0.00 C
+ATOM 1774 HB2 PHE A 114 26.018 11.720 0.484 1.00 0.00 H
+ATOM 1775 HB3 PHE A 114 26.480 11.380 -1.160 1.00 0.00 H
+ATOM 1776 CG PHE A 114 27.382 13.111 -0.379 1.00 0.00 C
+ATOM 1777 CD1 PHE A 114 27.414 14.143 0.562 1.00 0.00 C
+ATOM 1778 HD1 PHE A 114 26.599 14.280 1.259 1.00 0.00 H
+ATOM 1779 CE1 PHE A 114 28.512 15.000 0.620 1.00 0.00 C
+ATOM 1780 HE1 PHE A 114 28.525 15.791 1.357 1.00 0.00 H
+ATOM 1781 CZ PHE A 114 29.585 14.839 -0.262 1.00 0.00 C
+ATOM 1782 HZ PHE A 114 30.434 15.501 -0.204 1.00 0.00 H
+ATOM 1783 CE2 PHE A 114 29.575 13.801 -1.198 1.00 0.00 C
+ATOM 1784 HE2 PHE A 114 30.401 13.673 -1.887 1.00 0.00 H
+ATOM 1785 CD2 PHE A 114 28.472 12.945 -1.240 1.00 0.00 C
+ATOM 1786 HD2 PHE A 114 28.414 12.190 -2.001 1.00 0.00 H
+ATOM 1787 C PHE A 114 23.878 11.803 -1.494 1.00 0.00 C
+ATOM 1788 O PHE A 114 24.186 10.655 -1.812 1.00 0.00 O
+ATOM 1789 N THR A 115 22.630 12.214 -1.559 1.00 0.00 N
+ATOM 1790 H THR A 115 22.425 13.143 -1.219 1.00 0.00 H
+ATOM 1791 CA THR A 115 21.511 11.356 -1.945 1.00 0.00 C
+ATOM 1792 HA THR A 115 21.277 10.677 -1.127 1.00 0.00 H
+ATOM 1793 CB THR A 115 20.309 12.241 -2.202 1.00 0.00 C
+ATOM 1794 HB THR A 115 20.599 13.191 -2.653 1.00 0.00 H
+ATOM 1795 CG2 THR A 115 19.395 11.482 -3.133 1.00 0.00 C
+ATOM 1796 HG21 THR A 115 19.200 10.470 -2.776 1.00 0.00 H
+ATOM 1797 HG22 THR A 115 18.435 11.997 -3.133 1.00 0.00 H
+ATOM 1798 HG23 THR A 115 19.713 11.502 -4.173 1.00 0.00 H
+ATOM 1799 OG1 THR A 115 19.656 12.446 -0.991 1.00 0.00 O
+ATOM 1800 HG1 THR A 115 19.064 13.191 -1.107 1.00 0.00 H
+ATOM 1801 C THR A 115 21.764 10.501 -3.184 1.00 0.00 C
+ATOM 1802 O THR A 115 21.494 9.298 -3.205 1.00 0.00 O
+ATOM 1803 N ASN A 116 22.254 11.123 -4.252 1.00 0.00 N
+ATOM 1804 H ASN A 116 22.440 12.113 -4.214 1.00 0.00 H
+ATOM 1805 CA ASN A 116 22.535 10.357 -5.482 1.00 0.00 C
+ATOM 1806 HA ASN A 116 21.637 9.767 -5.678 1.00 0.00 H
+ATOM 1807 CB ASN A 116 22.724 11.260 -6.748 1.00 0.00 C
+ATOM 1808 HB2 ASN A 116 23.639 11.841 -6.627 1.00 0.00 H
+ATOM 1809 HB3 ASN A 116 22.826 10.635 -7.634 1.00 0.00 H
+ATOM 1810 CG ASN A 116 21.542 12.203 -6.965 1.00 0.00 C
+ATOM 1811 OD1 ASN A 116 20.432 11.914 -6.537 1.00 0.00 O
+ATOM 1812 ND2 ASN A 116 21.773 13.394 -7.489 1.00 0.00 N
+ATOM 1813 HD21 ASN A 116 20.974 14.002 -7.536 1.00 0.00 H
+ATOM 1814 HD22 ASN A 116 22.694 13.688 -7.749 1.00 0.00 H
+ATOM 1815 C ASN A 116 23.659 9.313 -5.319 1.00 0.00 C
+ATOM 1816 O ASN A 116 23.588 8.189 -5.835 1.00 0.00 O
+ATOM 1817 N SER A 117 24.715 9.656 -4.591 1.00 0.00 N
+ATOM 1818 H SER A 117 24.812 10.593 -4.226 1.00 0.00 H
+ATOM 1819 CA SER A 117 25.794 8.718 -4.370 1.00 0.00 C
+ATOM 1820 HA SER A 117 26.181 8.349 -5.320 1.00 0.00 H
+ATOM 1821 CB SER A 117 26.917 9.384 -3.598 1.00 0.00 C
+ATOM 1822 HB2 SER A 117 26.556 9.736 -2.632 1.00 0.00 H
+ATOM 1823 HB3 SER A 117 27.713 8.656 -3.434 1.00 0.00 H
+ATOM 1824 OG SER A 117 27.430 10.465 -4.334 1.00 0.00 O
+ATOM 1825 HG SER A 117 28.290 10.720 -3.996 1.00 0.00 H
+ATOM 1826 C SER A 117 25.330 7.547 -3.523 1.00 0.00 C
+ATOM 1827 O SER A 117 25.740 6.414 -3.758 1.00 0.00 O
+ATOM 1828 N LEU A 118 24.509 7.855 -2.513 1.00 0.00 N
+ATOM 1829 H LEU A 118 24.275 8.833 -2.349 1.00 0.00 H
+ATOM 1830 CA LEU A 118 24.008 6.834 -1.590 1.00 0.00 C
+ATOM 1831 HA LEU A 118 24.859 6.333 -1.130 1.00 0.00 H
+ATOM 1832 CB LEU A 118 23.115 7.429 -0.468 1.00 0.00 C
+ATOM 1833 HB2 LEU A 118 22.301 7.974 -0.946 1.00 0.00 H
+ATOM 1834 HB3 LEU A 118 22.666 6.617 0.092 1.00 0.00 H
+ATOM 1835 CG LEU A 118 23.813 8.392 0.511 1.00 0.00 C
+ATOM 1836 HG LEU A 118 24.388 9.123 -0.038 1.00 0.00 H
+ATOM 1837 CD1 LEU A 118 22.773 9.143 1.367 1.00 0.00 C
+ATOM 1838 HD11 LEU A 118 22.201 8.435 1.965 1.00 0.00 H
+ATOM 1839 HD12 LEU A 118 23.290 9.841 2.025 1.00 0.00 H
+ATOM 1840 HD13 LEU A 118 22.101 9.711 0.728 1.00 0.00 H
+ATOM 1841 CD2 LEU A 118 24.808 7.651 1.407 1.00 0.00 C
+ATOM 1842 HD21 LEU A 118 25.589 7.191 0.806 1.00 0.00 H
+ATOM 1843 HD22 LEU A 118 25.276 8.357 2.095 1.00 0.00 H
+ATOM 1844 HD23 LEU A 118 24.296 6.882 1.985 1.00 0.00 H
+ATOM 1845 C LEU A 118 23.253 5.782 -2.373 1.00 0.00 C
+ATOM 1846 O LEU A 118 23.433 4.571 -2.246 1.00 0.00 O
+ATOM 1847 N ARG A 119 22.413 6.253 -3.256 1.00 0.00 N
+ATOM 1848 H ARG A 119 22.245 7.254 -3.296 1.00 0.00 H
+ATOM 1849 CA ARG A 119 21.632 5.327 -4.060 1.00 0.00 C
+ATOM 1850 HA ARG A 119 21.067 4.666 -3.397 1.00 0.00 H
+ATOM 1851 CB ARG A 119 20.665 6.161 -4.861 1.00 0.00 C
+ATOM 1852 HB2 ARG A 119 19.983 6.663 -4.172 1.00 0.00 H
+ATOM 1853 HB3 ARG A 119 21.232 6.936 -5.381 1.00 0.00 H
+ATOM 1854 CG ARG A 119 19.842 5.418 -5.898 1.00 0.00 C
+ATOM 1855 HG2 ARG A 119 20.499 4.872 -6.574 1.00 0.00 H
+ATOM 1856 HG3 ARG A 119 19.171 4.714 -5.404 1.00 0.00 H
+ATOM 1857 CD ARG A 119 19.024 6.434 -6.731 1.00 0.00 C
+ATOM 1858 HD2 ARG A 119 18.316 6.935 -6.067 1.00 0.00 H
+ATOM 1859 HD3 ARG A 119 19.690 7.200 -7.132 1.00 0.00 H
+ATOM 1860 NE ARG A 119 18.272 5.791 -7.838 1.00 0.00 N
+ATOM 1861 HE ARG A 119 17.321 5.531 -7.628 1.00 0.00 H
+ATOM 1862 CZ ARG A 119 18.725 5.507 -9.079 1.00 0.00 C
+ATOM 1863 NH1 ARG A 119 19.953 5.831 -9.478 1.00 0.00 N
+ATOM 1864 HH11 ARG A 119 20.542 6.336 -8.838 1.00 0.00 H
+ATOM 1865 HH12 ARG A 119 20.226 5.706 -10.435 1.00 0.00 H
+ATOM 1866 NH2 ARG A 119 17.907 4.914 -9.945 1.00 0.00 N
+ATOM 1867 HH21 ARG A 119 16.968 4.675 -9.677 1.00 0.00 H
+ATOM 1868 HH22 ARG A 119 18.226 4.697 -10.870 1.00 0.00 H
+ATOM 1869 C ARG A 119 22.516 4.447 -4.922 1.00 0.00 C
+ATOM 1870 O ARG A 119 22.250 3.263 -5.057 1.00 0.00 O
+ATOM 1871 N MET A 120 23.576 5.024 -5.499 1.00 0.00 N
+ATOM 1872 H MET A 120 23.753 6.008 -5.335 1.00 0.00 H
+ATOM 1873 CA MET A 120 24.508 4.258 -6.302 1.00 0.00 C
+ATOM 1874 HA MET A 120 23.977 3.699 -7.067 1.00 0.00 H
+ATOM 1875 CB MET A 120 25.536 5.141 -7.009 1.00 0.00 C
+ATOM 1876 HB2 MET A 120 25.886 5.921 -6.332 1.00 0.00 H
+ATOM 1877 HB3 MET A 120 26.388 4.533 -7.313 1.00 0.00 H
+ATOM 1878 CG MET A 120 24.971 5.763 -8.281 1.00 0.00 C
+ATOM 1879 HG2 MET A 120 24.909 5.019 -9.077 1.00 0.00 H
+ATOM 1880 HG3 MET A 120 23.979 6.160 -8.069 1.00 0.00 H
+ATOM 1881 SD MET A 120 26.028 7.125 -8.790 1.00 0.00 S
+ATOM 1882 CE MET A 120 24.925 8.235 -9.673 1.00 0.00 C
+ATOM 1883 HE1 MET A 120 24.127 8.561 -9.005 1.00 0.00 H
+ATOM 1884 HE2 MET A 120 25.490 9.100 -10.017 1.00 0.00 H
+ATOM 1885 HE3 MET A 120 24.501 7.719 -10.535 1.00 0.00 H
+ATOM 1886 C MET A 120 25.233 3.244 -5.459 1.00 0.00 C
+ATOM 1887 O MET A 120 25.463 2.127 -5.888 1.00 0.00 O
+ATOM 1888 N LEU A 121 25.611 3.622 -4.257 1.00 0.00 N
+ATOM 1889 H LEU A 121 25.471 4.581 -3.951 1.00 0.00 H
+ATOM 1890 CA LEU A 121 26.308 2.675 -3.398 1.00 0.00 C
+ATOM 1891 HA LEU A 121 27.160 2.246 -3.925 1.00 0.00 H
+ATOM 1892 CB LEU A 121 26.777 3.410 -2.137 1.00 0.00 C
+ATOM 1893 HB2 LEU A 121 25.949 3.991 -1.730 1.00 0.00 H
+ATOM 1894 HB3 LEU A 121 27.066 2.677 -1.382 1.00 0.00 H
+ATOM 1895 CG LEU A 121 27.977 4.348 -2.386 1.00 0.00 C
+ATOM 1896 HG LEU A 121 27.775 4.996 -3.235 1.00 0.00 H
+ATOM 1897 CD1 LEU A 121 28.233 5.224 -1.156 1.00 0.00 C
+ATOM 1898 HD11 LEU A 121 28.434 4.605 -0.282 1.00 0.00 H
+ATOM 1899 HD12 LEU A 121 29.081 5.886 -1.335 1.00 0.00 H
+ATOM 1900 HD13 LEU A 121 27.357 5.843 -0.962 1.00 0.00 H
+ATOM 1901 CD2 LEU A 121 29.268 3.585 -2.659 1.00 0.00 C
+ATOM 1902 HD21 LEU A 121 29.166 3.002 -3.570 1.00 0.00 H
+ATOM 1903 HD22 LEU A 121 30.079 4.298 -2.808 1.00 0.00 H
+ATOM 1904 HD23 LEU A 121 29.509 2.934 -1.820 1.00 0.00 H
+ATOM 1905 C LEU A 121 25.373 1.510 -3.018 1.00 0.00 C
+ATOM 1906 O LEU A 121 25.719 0.322 -3.021 1.00 0.00 O
+ATOM 1907 N GLN A 122 24.131 1.894 -2.751 1.00 0.00 N
+ATOM 1908 H GLN A 122 23.905 2.882 -2.696 1.00 0.00 H
+ATOM 1909 CA GLN A 122 23.164 0.914 -2.367 1.00 0.00 C
+ATOM 1910 HA GLN A 122 23.552 0.373 -1.503 1.00 0.00 H
+ATOM 1911 CB GLN A 122 21.865 1.579 -1.951 1.00 0.00 C
+ATOM 1912 HB2 GLN A 122 22.073 2.196 -1.075 1.00 0.00 H
+ATOM 1913 HB3 GLN A 122 21.486 2.222 -2.745 1.00 0.00 H
+ATOM 1914 CG GLN A 122 20.795 0.531 -1.598 1.00 0.00 C
+ATOM 1915 HG2 GLN A 122 20.275 0.213 -2.502 1.00 0.00 H
+ATOM 1916 HG3 GLN A 122 21.283 -0.343 -1.165 1.00 0.00 H
+ATOM 1917 CD GLN A 122 19.768 1.024 -0.576 1.00 0.00 C
+ATOM 1918 OE1 GLN A 122 19.553 2.232 -0.413 1.00 0.00 O
+ATOM 1919 NE2 GLN A 122 19.103 0.084 0.096 1.00 0.00 N
+ATOM 1920 HE21 GLN A 122 18.459 0.406 0.795 1.00 0.00 H
+ATOM 1921 HE22 GLN A 122 19.280 -0.890 -0.059 1.00 0.00 H
+ATOM 1922 C GLN A 122 22.990 -0.091 -3.475 1.00 0.00 C
+ATOM 1923 O GLN A 122 22.884 -1.291 -3.237 1.00 0.00 O
+ATOM 1924 N GLN A 123 23.027 0.396 -4.699 1.00 0.00 N
+ATOM 1925 H GLN A 123 23.083 1.398 -4.831 1.00 0.00 H
+ATOM 1926 CA GLN A 123 22.888 -0.505 -5.835 1.00 0.00 C
+ATOM 1927 HA GLN A 123 22.134 -1.269 -5.636 1.00 0.00 H
+ATOM 1928 CB GLN A 123 22.486 0.311 -7.037 1.00 0.00 C
+ATOM 1929 HB2 GLN A 123 23.210 1.122 -7.110 1.00 0.00 H
+ATOM 1930 HB3 GLN A 123 22.554 -0.287 -7.947 1.00 0.00 H
+ATOM 1931 CG GLN A 123 21.056 0.810 -6.957 1.00 0.00 C
+ATOM 1932 HG2 GLN A 123 20.360 -0.017 -7.103 1.00 0.00 H
+ATOM 1933 HG3 GLN A 123 20.858 1.281 -5.994 1.00 0.00 H
+ATOM 1934 CD GLN A 123 20.894 1.830 -8.050 1.00 0.00 C
+ATOM 1935 OE1 GLN A 123 20.075 1.666 -8.935 1.00 0.00 O
+ATOM 1936 NE2 GLN A 123 21.769 2.829 -8.069 1.00 0.00 N
+ATOM 1937 HE21 GLN A 123 21.731 3.455 -8.848 1.00 0.00 H
+ATOM 1938 HE22 GLN A 123 22.366 2.958 -7.265 1.00 0.00 H
+ATOM 1939 C GLN A 123 24.175 -1.206 -6.216 1.00 0.00 C
+ATOM 1940 O GLN A 123 24.172 -1.953 -7.204 1.00 0.00 O
+ATOM 1941 N LYS A 124 25.286 -0.914 -5.501 1.00 0.00 N
+ATOM 1942 H LYS A 124 25.193 -0.323 -4.683 1.00 0.00 H
+ATOM 1943 CA LYS A 124 26.591 -1.510 -5.785 1.00 0.00 C
+ATOM 1944 HA LYS A 124 27.268 -1.032 -5.077 1.00 0.00 H
+ATOM 1945 CB LYS A 124 26.699 -3.024 -5.484 1.00 0.00 C
+ATOM 1946 HB2 LYS A 124 26.150 -3.588 -6.241 1.00 0.00 H
+ATOM 1947 HB3 LYS A 124 27.746 -3.322 -5.532 1.00 0.00 H
+ATOM 1948 CG LYS A 124 26.140 -3.365 -4.103 1.00 0.00 C
+ATOM 1949 HG2 LYS A 124 26.568 -2.665 -3.385 1.00 0.00 H
+ATOM 1950 HG3 LYS A 124 25.059 -3.224 -4.101 1.00 0.00 H
+ATOM 1951 CD LYS A 124 26.438 -4.792 -3.638 1.00 0.00 C
+ATOM 1952 HD2 LYS A 124 25.881 -5.485 -4.272 1.00 0.00 H
+ATOM 1953 HD3 LYS A 124 27.500 -5.003 -3.776 1.00 0.00 H
+ATOM 1954 CE LYS A 124 26.071 -5.074 -2.165 1.00 0.00 C
+ATOM 1955 HE2 LYS A 124 24.993 -4.923 -2.045 1.00 0.00 H
+ATOM 1956 HE3 LYS A 124 26.278 -6.125 -1.946 1.00 0.00 H
+ATOM 1957 NZ LYS A 124 26.787 -4.219 -1.219 1.00 0.00 N1+
+ATOM 1958 HZ1 LYS A 124 26.595 -3.245 -1.417 1.00 0.00 H
+ATOM 1959 HZ2 LYS A 124 26.432 -4.378 -0.274 1.00 0.00 H
+ATOM 1960 HZ3 LYS A 124 27.783 -4.392 -1.229 1.00 0.00 H
+ATOM 1961 C LYS A 124 27.203 -1.153 -7.145 1.00 0.00 C
+ATOM 1962 O LYS A 124 28.002 -1.908 -7.714 1.00 0.00 O
+ATOM 1963 N ARG A 125 26.906 0.035 -7.632 1.00 0.00 N
+ATOM 1964 H ARG A 125 26.303 0.644 -7.090 1.00 0.00 H
+ATOM 1965 CA ARG A 125 27.505 0.517 -8.863 1.00 0.00 C
+ATOM 1966 HA ARG A 125 27.798 -0.288 -9.539 1.00 0.00 H
+ATOM 1967 CB ARG A 125 26.454 1.395 -9.520 1.00 0.00 C
+ATOM 1968 HB2 ARG A 125 26.143 2.147 -8.790 1.00 0.00 H
+ATOM 1969 HB3 ARG A 125 26.903 1.921 -10.365 1.00 0.00 H
+ATOM 1970 CG ARG A 125 25.235 0.635 -10.030 1.00 0.00 C
+ATOM 1971 HG2 ARG A 125 25.471 0.201 -11.003 1.00 0.00 H
+ATOM 1972 HG3 ARG A 125 24.945 -0.163 -9.346 1.00 0.00 H
+ATOM 1973 CD ARG A 125 24.074 1.630 -10.149 1.00 0.00 C
+ATOM 1974 HD2 ARG A 125 23.386 1.438 -9.335 1.00 0.00 H
+ATOM 1975 HD3 ARG A 125 24.453 2.646 -10.014 1.00 0.00 H
+ATOM 1976 NE ARG A 125 23.353 1.634 -11.419 1.00 0.00 N
+ATOM 1977 HE ARG A 125 23.702 2.262 -12.136 1.00 0.00 H
+ATOM 1978 CZ ARG A 125 22.401 0.754 -11.724 1.00 0.00 C
+ATOM 1979 NH1 ARG A 125 22.065 -0.245 -10.909 1.00 0.00 N
+ATOM 1980 HH11 ARG A 125 22.598 -0.371 -10.069 1.00 0.00 H
+ATOM 1981 HH12 ARG A 125 21.345 -0.897 -11.155 1.00 0.00 H
+ATOM 1982 NH2 ARG A 125 21.790 0.867 -12.888 1.00 0.00 N
+ATOM 1983 HH21 ARG A 125 22.145 1.532 -13.554 1.00 0.00 H
+ATOM 1984 HH22 ARG A 125 21.118 0.183 -13.177 1.00 0.00 H
+ATOM 1985 C ARG A 125 28.757 1.319 -8.465 1.00 0.00 C
+ATOM 1986 O ARG A 125 28.718 2.555 -8.366 1.00 0.00 O
+ATOM 1987 N TRP A 126 29.837 0.611 -8.121 1.00 0.00 N
+ATOM 1988 H TRP A 126 29.784 -0.399 -8.130 1.00 0.00 H
+ATOM 1989 CA TRP A 126 31.008 1.264 -7.533 1.00 0.00 C
+ATOM 1990 HA TRP A 126 30.608 1.791 -6.668 1.00 0.00 H
+ATOM 1991 CB TRP A 126 32.013 0.289 -6.919 1.00 0.00 C
+ATOM 1992 HB2 TRP A 126 32.663 -0.086 -7.712 1.00 0.00 H
+ATOM 1993 HB3 TRP A 126 32.634 0.838 -6.215 1.00 0.00 H
+ATOM 1994 CG TRP A 126 31.421 -0.874 -6.200 1.00 0.00 C
+ATOM 1995 CD1 TRP A 126 31.545 -2.187 -6.540 1.00 0.00 C
+ATOM 1996 HD1 TRP A 126 32.107 -2.538 -7.401 1.00 0.00 H
+ATOM 1997 NE1 TRP A 126 30.897 -2.985 -5.648 1.00 0.00 N
+ATOM 1998 HE1 TRP A 126 30.844 -3.991 -5.719 1.00 0.00 H
+ATOM 1999 CE2 TRP A 126 30.325 -2.196 -4.692 1.00 0.00 C
+ATOM 2000 CZ2 TRP A 126 29.600 -2.546 -3.566 1.00 0.00 C
+ATOM 2001 HZ2 TRP A 126 29.418 -3.581 -3.325 1.00 0.00 H
+ATOM 2002 CH2 TRP A 126 29.101 -1.514 -2.788 1.00 0.00 C
+ATOM 2003 HH2 TRP A 126 28.510 -1.732 -1.912 1.00 0.00 H
+ATOM 2004 CZ3 TRP A 126 29.391 -0.163 -3.103 1.00 0.00 C
+ATOM 2005 HZ3 TRP A 126 29.001 0.619 -2.467 1.00 0.00 H
+ATOM 2006 CE3 TRP A 126 30.160 0.182 -4.214 1.00 0.00 C
+ATOM 2007 HE3 TRP A 126 30.388 1.213 -4.444 1.00 0.00 H
+ATOM 2008 CD2 TRP A 126 30.623 -0.848 -5.034 1.00 0.00 C
+ATOM 2009 C TRP A 126 31.691 2.379 -8.307 1.00 0.00 C
+ATOM 2010 O TRP A 126 31.993 3.431 -7.748 1.00 0.00 O
+ATOM 2011 N ASP A 127 31.984 2.153 -9.569 1.00 0.00 N
+ATOM 2012 H ASP A 127 31.867 1.233 -9.964 1.00 0.00 H
+ATOM 2013 CA ASP A 127 32.685 3.161 -10.333 1.00 0.00 C
+ATOM 2014 HA ASP A 127 33.578 3.470 -9.789 1.00 0.00 H
+ATOM 2015 CB ASP A 127 33.139 2.546 -11.649 1.00 0.00 C
+ATOM 2016 HB2 ASP A 127 32.304 2.021 -12.118 1.00 0.00 H
+ATOM 2017 HB3 ASP A 127 33.438 3.358 -12.315 1.00 0.00 H
+ATOM 2018 CG ASP A 127 34.328 1.586 -11.498 1.00 0.00 C
+ATOM 2019 OD1 ASP A 127 34.677 1.038 -10.435 1.00 0.00 O1-
+ATOM 2020 OD2 ASP A 127 34.968 1.417 -12.559 1.00 0.00 O
+ATOM 2021 C ASP A 127 31.831 4.397 -10.526 1.00 0.00 C
+ATOM 2022 O ASP A 127 32.294 5.525 -10.412 1.00 0.00 O
+ATOM 2023 N GLU A 128 30.542 4.202 -10.709 1.00 0.00 N
+ATOM 2024 H GLU A 128 30.171 3.268 -10.784 1.00 0.00 H
+ATOM 2025 CA GLU A 128 29.697 5.357 -10.888 1.00 0.00 C
+ATOM 2026 HA GLU A 128 30.133 5.996 -11.657 1.00 0.00 H
+ATOM 2027 CB GLU A 128 28.322 4.942 -11.358 1.00 0.00 C
+ATOM 2028 HB2 GLU A 128 27.820 4.383 -10.566 1.00 0.00 H
+ATOM 2029 HB3 GLU A 128 27.739 5.835 -11.588 1.00 0.00 H
+ATOM 2030 CG GLU A 128 28.426 4.053 -12.611 1.00 0.00 C
+ATOM 2031 HG2 GLU A 128 28.884 4.632 -13.416 1.00 0.00 H
+ATOM 2032 HG3 GLU A 128 29.066 3.191 -12.412 1.00 0.00 H
+ATOM 2033 CD GLU A 128 27.091 3.501 -13.094 1.00 0.00 C
+ATOM 2034 OE1 GLU A 128 26.043 4.089 -12.653 1.00 0.00 O1-
+ATOM 2035 OE2 GLU A 128 27.073 2.518 -13.855 1.00 0.00 O
+ATOM 2036 C GLU A 128 29.560 6.189 -9.632 1.00 0.00 C
+ATOM 2037 O GLU A 128 29.543 7.435 -9.680 1.00 0.00 O
+ATOM 2038 N ALA A 129 29.453 5.481 -8.497 1.00 0.00 N
+ATOM 2039 H ALA A 129 29.397 4.467 -8.531 1.00 0.00 H
+ATOM 2040 CA ALA A 129 29.354 6.189 -7.237 1.00 0.00 C
+ATOM 2041 HA ALA A 129 28.498 6.865 -7.257 1.00 0.00 H
+ATOM 2042 CB ALA A 129 29.192 5.181 -6.093 1.00 0.00 C
+ATOM 2043 HB1 ALA A 129 30.057 4.518 -6.052 1.00 0.00 H
+ATOM 2044 HB2 ALA A 129 29.111 5.719 -5.148 1.00 0.00 H
+ATOM 2045 HB3 ALA A 129 28.301 4.578 -6.239 1.00 0.00 H
+ATOM 2046 C ALA A 129 30.611 7.007 -7.003 1.00 0.00 C
+ATOM 2047 O ALA A 129 30.549 8.117 -6.476 1.00 0.00 O
+ATOM 2048 N ALA A 130 31.754 6.432 -7.381 1.00 0.00 N
+ATOM 2049 H ALA A 130 31.724 5.513 -7.813 1.00 0.00 H
+ATOM 2050 CA ALA A 130 33.050 7.054 -7.165 1.00 0.00 C
+ATOM 2051 HA ALA A 130 33.153 7.300 -6.109 1.00 0.00 H
+ATOM 2052 CB ALA A 130 34.182 6.111 -7.576 1.00 0.00 C
+ATOM 2053 HB1 ALA A 130 34.081 5.825 -8.622 1.00 0.00 H
+ATOM 2054 HB2 ALA A 130 35.144 6.601 -7.435 1.00 0.00 H
+ATOM 2055 HB3 ALA A 130 34.145 5.212 -6.959 1.00 0.00 H
+ATOM 2056 C ALA A 130 33.113 8.334 -7.948 1.00 0.00 C
+ATOM 2057 O ALA A 130 33.567 9.367 -7.490 1.00 0.00 O
+ATOM 2058 N VAL A 131 32.624 8.261 -9.156 1.00 0.00 N
+ATOM 2059 H VAL A 131 32.298 7.366 -9.521 1.00 0.00 H
+ATOM 2060 CA VAL A 131 32.582 9.438 -9.960 1.00 0.00 C
+ATOM 2061 HA VAL A 131 33.569 9.901 -9.995 1.00 0.00 H
+ATOM 2062 CB VAL A 131 32.165 9.041 -11.376 1.00 0.00 C
+ATOM 2063 HB VAL A 131 31.332 8.338 -11.377 1.00 0.00 H
+ATOM 2064 CG1 VAL A 131 31.794 10.280 -12.155 1.00 0.00 C
+ATOM 2065 HG11 VAL A 131 32.593 11.022 -12.105 1.00 0.00 H
+ATOM 2066 HG12 VAL A 131 31.631 10.005 -13.198 1.00 0.00 H
+ATOM 2067 HG13 VAL A 131 30.863 10.707 -11.786 1.00 0.00 H
+ATOM 2068 CG2 VAL A 131 33.382 8.433 -12.073 1.00 0.00 C
+ATOM 2069 HG21 VAL A 131 33.699 7.533 -11.546 1.00 0.00 H
+ATOM 2070 HG22 VAL A 131 33.116 8.142 -13.090 1.00 0.00 H
+ATOM 2071 HG23 VAL A 131 34.212 9.139 -12.104 1.00 0.00 H
+ATOM 2072 C VAL A 131 31.632 10.470 -9.355 1.00 0.00 C
+ATOM 2073 O VAL A 131 31.930 11.652 -9.261 1.00 0.00 O
+ATOM 2074 N ASN A 132 30.441 10.053 -8.964 1.00 0.00 N
+ATOM 2075 H ASN A 132 30.191 9.071 -9.058 1.00 0.00 H
+ATOM 2076 CA ASN A 132 29.496 11.005 -8.385 1.00 0.00 C
+ATOM 2077 HA ASN A 132 29.353 11.827 -9.085 1.00 0.00 H
+ATOM 2078 CB ASN A 132 28.150 10.299 -8.155 1.00 0.00 C
+ATOM 2079 HB2 ASN A 132 27.858 9.752 -9.052 1.00 0.00 H
+ATOM 2080 HB3 ASN A 132 28.253 9.572 -7.349 1.00 0.00 H
+ATOM 2081 CG ASN A 132 27.050 11.258 -7.778 1.00 0.00 C
+ATOM 2082 OD1 ASN A 132 26.685 11.476 -6.622 1.00 0.00 O
+ATOM 2083 ND2 ASN A 132 26.533 11.913 -8.791 1.00 0.00 N
+ATOM 2084 HD21 ASN A 132 25.860 12.612 -8.549 1.00 0.00 H
+ATOM 2085 HD22 ASN A 132 26.826 11.692 -9.719 1.00 0.00 H
+ATOM 2086 C ASN A 132 30.034 11.615 -7.073 1.00 0.00 C
+ATOM 2087 O ASN A 132 29.919 12.819 -6.809 1.00 0.00 O
+ATOM 2088 N LEU A 133 30.661 10.793 -6.229 1.00 0.00 N
+ATOM 2089 H LEU A 133 30.754 9.810 -6.446 1.00 0.00 H
+ATOM 2090 CA LEU A 133 31.149 11.314 -4.940 1.00 0.00 C
+ATOM 2091 HA LEU A 133 30.302 11.708 -4.381 1.00 0.00 H
+ATOM 2092 CB LEU A 133 31.871 10.210 -4.116 1.00 0.00 C
+ATOM 2093 HB2 LEU A 133 32.551 9.681 -4.785 1.00 0.00 H
+ATOM 2094 HB3 LEU A 133 32.475 10.677 -3.345 1.00 0.00 H
+ATOM 2095 CG LEU A 133 30.929 9.189 -3.450 1.00 0.00 C
+ATOM 2096 HG LEU A 133 30.176 8.829 -4.145 1.00 0.00 H
+ATOM 2097 CD1 LEU A 133 31.741 8.006 -2.902 1.00 0.00 C
+ATOM 2098 HD11 LEU A 133 32.481 8.360 -2.185 1.00 0.00 H
+ATOM 2099 HD12 LEU A 133 31.070 7.303 -2.408 1.00 0.00 H
+ATOM 2100 HD13 LEU A 133 32.242 7.497 -3.724 1.00 0.00 H
+ATOM 2101 CD2 LEU A 133 30.232 9.867 -2.277 1.00 0.00 C
+ATOM 2102 HD21 LEU A 133 29.650 10.697 -2.642 1.00 0.00 H
+ATOM 2103 HD22 LEU A 133 29.568 9.154 -1.788 1.00 0.00 H
+ATOM 2104 HD23 LEU A 133 30.959 10.228 -1.549 1.00 0.00 H
+ATOM 2105 C LEU A 133 32.116 12.488 -5.112 1.00 0.00 C
+ATOM 2106 O LEU A 133 32.203 13.386 -4.276 1.00 0.00 O
+ATOM 2107 N ALA A 134 32.877 12.428 -6.196 1.00 0.00 N
+ATOM 2108 H ALA A 134 32.772 11.634 -6.814 1.00 0.00 H
+ATOM 2109 CA ALA A 134 33.928 13.409 -6.499 1.00 0.00 C
+ATOM 2110 HA ALA A 134 34.491 13.591 -5.583 1.00 0.00 H
+ATOM 2111 CB ALA A 134 34.900 12.792 -7.512 1.00 0.00 C
+ATOM 2112 HB1 ALA A 134 34.389 12.620 -8.460 1.00 0.00 H
+ATOM 2113 HB2 ALA A 134 35.736 13.474 -7.673 1.00 0.00 H
+ATOM 2114 HB3 ALA A 134 35.281 11.842 -7.137 1.00 0.00 H
+ATOM 2115 C ALA A 134 33.387 14.770 -6.953 1.00 0.00 C
+ATOM 2116 O ALA A 134 34.070 15.798 -6.908 1.00 0.00 O
+ATOM 2117 N LYS A 135 32.139 14.795 -7.380 1.00 0.00 N
+ATOM 2118 H LYS A 135 31.574 13.953 -7.332 1.00 0.00 H
+ATOM 2119 CA LYS A 135 31.529 16.054 -7.795 1.00 0.00 C
+ATOM 2120 HA LYS A 135 32.275 16.735 -8.209 1.00 0.00 H
+ATOM 2121 CB LYS A 135 30.416 15.849 -8.818 1.00 0.00 C
+ATOM 2122 HB2 LYS A 135 29.667 15.186 -8.375 1.00 0.00 H
+ATOM 2123 HB3 LYS A 135 29.946 16.806 -9.052 1.00 0.00 H
+ATOM 2124 CG LYS A 135 30.918 15.206 -10.107 1.00 0.00 C
+ATOM 2125 HG2 LYS A 135 31.436 15.964 -10.696 1.00 0.00 H
+ATOM 2126 HG3 LYS A 135 31.608 14.386 -9.905 1.00 0.00 H
+ATOM 2127 CD LYS A 135 29.718 14.657 -10.871 1.00 0.00 C
+ATOM 2128 HD2 LYS A 135 29.637 13.587 -10.672 1.00 0.00 H
+ATOM 2129 HD3 LYS A 135 28.810 15.131 -10.489 1.00 0.00 H
+ATOM 2130 CE LYS A 135 29.757 14.896 -12.373 1.00 0.00 C
+ATOM 2131 HE2 LYS A 135 30.152 15.903 -12.544 1.00 0.00 H
+ATOM 2132 HE3 LYS A 135 30.457 14.183 -12.822 1.00 0.00 H
+ATOM 2133 NZ LYS A 135 28.417 14.783 -12.966 1.00 0.00 N1+
+ATOM 2134 HZ1 LYS A 135 27.779 15.437 -12.531 1.00 0.00 H
+ATOM 2135 HZ2 LYS A 135 28.455 14.988 -13.958 1.00 0.00 H
+ATOM 2136 HZ3 LYS A 135 28.067 13.840 -12.848 1.00 0.00 H
+ATOM 2137 C LYS A 135 30.955 16.700 -6.562 1.00 0.00 C
+ATOM 2138 O LYS A 135 29.748 16.638 -6.378 1.00 0.00 O
+ATOM 2139 N SER A 136 31.811 17.178 -5.656 1.00 0.00 N
+ATOM 2140 H SER A 136 32.813 17.121 -5.822 1.00 0.00 H
+ATOM 2141 CA SER A 136 31.324 17.709 -4.397 1.00 0.00 C
+ATOM 2142 HA SER A 136 30.363 18.202 -4.538 1.00 0.00 H
+ATOM 2143 CB SER A 136 31.171 16.566 -3.391 1.00 0.00 C
+ATOM 2144 HB2 SER A 136 30.832 16.956 -2.431 1.00 0.00 H
+ATOM 2145 HB3 SER A 136 30.440 15.842 -3.756 1.00 0.00 H
+ATOM 2146 OG SER A 136 32.457 15.925 -3.238 1.00 0.00 O
+ATOM 2147 HG SER A 136 32.417 15.074 -3.720 1.00 0.00 H
+ATOM 2148 C SER A 136 32.316 18.701 -3.828 1.00 0.00 C
+ATOM 2149 O SER A 136 33.516 18.639 -4.108 1.00 0.00 O
+ATOM 2150 N ARG A 137 31.801 19.597 -2.983 1.00 0.00 N
+ATOM 2151 H ARG A 137 30.801 19.621 -2.845 1.00 0.00 H
+ATOM 2152 CA ARG A 137 32.655 20.530 -2.308 1.00 0.00 C
+ATOM 2153 HA ARG A 137 33.189 21.154 -3.030 1.00 0.00 H
+ATOM 2154 CB ARG A 137 31.834 21.364 -1.359 1.00 0.00 C
+ATOM 2155 HB2 ARG A 137 31.194 22.035 -1.934 1.00 0.00 H
+ATOM 2156 HB3 ARG A 137 31.213 20.730 -0.722 1.00 0.00 H
+ATOM 2157 CG ARG A 137 32.796 22.163 -0.496 1.00 0.00 C
+ATOM 2158 HG2 ARG A 137 33.424 21.542 0.141 1.00 0.00 H
+ATOM 2159 HG3 ARG A 137 33.421 22.775 -1.150 1.00 0.00 H
+ATOM 2160 CD ARG A 137 32.023 23.042 0.435 1.00 0.00 C
+ATOM 2161 HD2 ARG A 137 31.119 23.392 -0.068 1.00 0.00 H
+ATOM 2162 HD3 ARG A 137 31.710 22.482 1.318 1.00 0.00 H
+ATOM 2163 NE ARG A 137 32.805 24.214 0.780 1.00 0.00 N
+ATOM 2164 HE ARG A 137 32.772 25.007 0.164 1.00 0.00 H
+ATOM 2165 CZ ARG A 137 33.620 24.303 1.808 1.00 0.00 C
+ATOM 2166 NH1 ARG A 137 33.758 23.286 2.640 1.00 0.00 N
+ATOM 2167 HH11 ARG A 137 33.237 22.443 2.580 1.00 0.00 H
+ATOM 2168 HH12 ARG A 137 34.394 23.409 3.443 1.00 0.00 H
+ATOM 2169 NH2 ARG A 137 34.294 25.429 2.003 1.00 0.00 N
+ATOM 2170 HH21 ARG A 137 34.242 26.211 1.383 1.00 0.00 H
+ATOM 2171 HH22 ARG A 137 34.859 25.469 2.845 1.00 0.00 H
+ATOM 2172 C ARG A 137 33.693 19.776 -1.497 1.00 0.00 C
+ATOM 2173 O ARG A 137 34.863 20.128 -1.495 1.00 0.00 O
+ATOM 2174 N TRP A 138 33.218 18.717 -0.818 1.00 0.00 N
+ATOM 2175 H TRP A 138 32.245 18.488 -0.929 1.00 0.00 H
+ATOM 2176 CA TRP A 138 34.053 17.823 0.014 1.00 0.00 C
+ATOM 2177 HA TRP A 138 34.337 18.307 0.948 1.00 0.00 H
+ATOM 2178 CB TRP A 138 33.256 16.541 0.295 1.00 0.00 C
+ATOM 2179 HB2 TRP A 138 32.436 16.787 0.971 1.00 0.00 H
+ATOM 2180 HB3 TRP A 138 32.815 16.184 -0.634 1.00 0.00 H
+ATOM 2181 CG TRP A 138 34.051 15.413 0.898 1.00 0.00 C
+ATOM 2182 CD1 TRP A 138 34.713 15.428 2.093 1.00 0.00 C
+ATOM 2183 HD1 TRP A 138 34.790 16.293 2.738 1.00 0.00 H
+ATOM 2184 NE1 TRP A 138 35.270 14.192 2.350 1.00 0.00 N
+ATOM 2185 HE1 TRP A 138 35.708 13.942 3.237 1.00 0.00 H
+ATOM 2186 CE2 TRP A 138 34.904 13.310 1.359 1.00 0.00 C
+ATOM 2187 CZ2 TRP A 138 35.126 11.944 1.223 1.00 0.00 C
+ATOM 2188 HZ2 TRP A 138 35.683 11.389 1.963 1.00 0.00 H
+ATOM 2189 CH2 TRP A 138 34.610 11.341 0.077 1.00 0.00 C
+ATOM 2190 HH2 TRP A 138 34.775 10.285 -0.084 1.00 0.00 H
+ATOM 2191 CZ3 TRP A 138 33.866 12.072 -0.869 1.00 0.00 C
+ATOM 2192 HZ3 TRP A 138 33.470 11.570 -1.733 1.00 0.00 H
+ATOM 2193 CE3 TRP A 138 33.592 13.419 -0.697 1.00 0.00 C
+ATOM 2194 HE3 TRP A 138 33.009 13.958 -1.428 1.00 0.00 H
+ATOM 2195 CD2 TRP A 138 34.145 14.063 0.405 1.00 0.00 C
+ATOM 2196 C TRP A 138 35.330 17.433 -0.718 1.00 0.00 C
+ATOM 2197 O TRP A 138 36.456 17.615 -0.255 1.00 0.00 O
+ATOM 2198 N TYR A 139 35.147 16.965 -1.936 1.00 0.00 N
+ATOM 2199 H TYR A 139 34.213 16.860 -2.315 1.00 0.00 H
+ATOM 2200 CA TYR A 139 36.261 16.526 -2.726 1.00 0.00 C
+ATOM 2201 HA TYR A 139 36.840 15.777 -2.188 1.00 0.00 H
+ATOM 2202 CB TYR A 139 35.682 15.931 -3.988 1.00 0.00 C
+ATOM 2203 HB2 TYR A 139 35.079 15.058 -3.732 1.00 0.00 H
+ATOM 2204 HB3 TYR A 139 35.033 16.650 -4.486 1.00 0.00 H
+ATOM 2205 CG TYR A 139 36.759 15.528 -4.923 1.00 0.00 C
+ATOM 2206 CD1 TYR A 139 37.357 14.287 -4.728 1.00 0.00 C
+ATOM 2207 HD1 TYR A 139 37.039 13.666 -3.902 1.00 0.00 H
+ATOM 2208 CE1 TYR A 139 38.334 13.831 -5.603 1.00 0.00 C
+ATOM 2209 HE1 TYR A 139 38.775 12.859 -5.458 1.00 0.00 H
+ATOM 2210 CZ TYR A 139 38.716 14.656 -6.664 1.00 0.00 C
+ATOM 2211 OH TYR A 139 39.673 14.186 -7.502 1.00 0.00 O
+ATOM 2212 HH TYR A 139 39.643 13.228 -7.483 1.00 0.00 H
+ATOM 2213 CE2 TYR A 139 38.110 15.901 -6.885 1.00 0.00 C
+ATOM 2214 HE2 TYR A 139 38.398 16.506 -7.731 1.00 0.00 H
+ATOM 2215 CD2 TYR A 139 37.118 16.337 -6.007 1.00 0.00 C
+ATOM 2216 HD2 TYR A 139 36.608 17.279 -6.175 1.00 0.00 H
+ATOM 2217 C TYR A 139 37.173 17.671 -3.105 1.00 0.00 C
+ATOM 2218 O TYR A 139 38.389 17.535 -3.103 1.00 0.00 O
+ATOM 2219 N ASN A 140 36.587 18.805 -3.473 1.00 0.00 N
+ATOM 2220 H ASN A 140 35.576 18.844 -3.539 1.00 0.00 H
+ATOM 2221 CA ASN A 140 37.392 19.956 -3.881 1.00 0.00 C
+ATOM 2222 HA ASN A 140 38.163 19.608 -4.569 1.00 0.00 H
+ATOM 2223 CB ASN A 140 36.520 20.984 -4.608 1.00 0.00 C
+ATOM 2224 HB2 ASN A 140 35.599 21.162 -4.055 1.00 0.00 H
+ATOM 2225 HB3 ASN A 140 37.060 21.926 -4.705 1.00 0.00 H
+ATOM 2226 CG ASN A 140 36.188 20.469 -5.986 1.00 0.00 C
+ATOM 2227 OD1 ASN A 140 35.094 19.970 -6.247 1.00 0.00 O
+ATOM 2228 ND2 ASN A 140 37.179 20.489 -6.856 1.00 0.00 N
+ATOM 2229 HD21 ASN A 140 36.968 20.136 -7.771 1.00 0.00 H
+ATOM 2230 HD22 ASN A 140 38.068 20.874 -6.598 1.00 0.00 H
+ATOM 2231 C ASN A 140 38.144 20.597 -2.723 1.00 0.00 C
+ATOM 2232 O ASN A 140 39.210 21.155 -2.909 1.00 0.00 O
+ATOM 2233 N GLN A 141 37.616 20.511 -1.521 1.00 0.00 N
+ATOM 2234 H GLN A 141 36.707 20.073 -1.417 1.00 0.00 H
+ATOM 2235 CA GLN A 141 38.278 21.092 -0.371 1.00 0.00 C
+ATOM 2236 HA GLN A 141 38.819 21.988 -0.677 1.00 0.00 H
+ATOM 2237 CB GLN A 141 37.246 21.468 0.692 1.00 0.00 C
+ATOM 2238 HB2 GLN A 141 36.638 20.599 0.952 1.00 0.00 H
+ATOM 2239 HB3 GLN A 141 37.756 21.818 1.591 1.00 0.00 H
+ATOM 2240 CG GLN A 141 36.342 22.586 0.149 1.00 0.00 C
+ATOM 2241 HG2 GLN A 141 35.714 22.215 -0.652 1.00 0.00 H
+ATOM 2242 HG3 GLN A 141 35.707 22.909 0.963 1.00 0.00 H
+ATOM 2243 CD GLN A 141 37.084 23.803 -0.375 1.00 0.00 C
+ATOM 2244 OE1 GLN A 141 36.780 24.327 -1.451 1.00 0.00 O
+ATOM 2245 NE2 GLN A 141 38.013 24.308 0.418 1.00 0.00 N
+ATOM 2246 HE21 GLN A 141 38.529 25.093 0.060 1.00 0.00 H
+ATOM 2247 HE22 GLN A 141 38.222 23.893 1.313 1.00 0.00 H
+ATOM 2248 C GLN A 141 39.315 20.185 0.240 1.00 0.00 C
+ATOM 2249 O GLN A 141 40.375 20.664 0.625 1.00 0.00 O
+ATOM 2250 N THR A 142 39.027 18.894 0.364 1.00 0.00 N
+ATOM 2251 H THR A 142 38.124 18.540 0.062 1.00 0.00 H
+ATOM 2252 CA THR A 142 39.987 17.964 0.948 1.00 0.00 C
+ATOM 2253 HA THR A 142 40.950 18.441 1.109 1.00 0.00 H
+ATOM 2254 CB THR A 142 39.578 17.456 2.325 1.00 0.00 C
+ATOM 2255 HB THR A 142 40.293 16.709 2.672 1.00 0.00 H
+ATOM 2256 CG2 THR A 142 39.544 18.623 3.303 1.00 0.00 C
+ATOM 2257 HG21 THR A 142 38.773 19.342 3.020 1.00 0.00 H
+ATOM 2258 HG22 THR A 142 39.321 18.251 4.303 1.00 0.00 H
+ATOM 2259 HG23 THR A 142 40.511 19.126 3.323 1.00 0.00 H
+ATOM 2260 OG1 THR A 142 38.281 16.895 2.271 1.00 0.00 O
+ATOM 2261 HG1 THR A 142 38.259 16.187 2.910 1.00 0.00 H
+ATOM 2262 C THR A 142 40.167 16.818 -0.006 1.00 0.00 C
+ATOM 2263 O THR A 142 39.796 15.666 0.233 1.00 0.00 O
+ATOM 2264 N PRO A 143 40.811 17.144 -1.106 1.00 0.00 N
+ATOM 2265 CD PRO A 143 41.421 18.463 -1.342 1.00 0.00 C
+ATOM 2266 HD2 PRO A 143 42.046 18.818 -0.523 1.00 0.00 H
+ATOM 2267 HD3 PRO A 143 40.654 19.187 -1.608 1.00 0.00 H
+ATOM 2268 CG PRO A 143 42.282 18.282 -2.575 1.00 0.00 C
+ATOM 2269 HG2 PRO A 143 43.322 18.160 -2.270 1.00 0.00 H
+ATOM 2270 HG3 PRO A 143 42.192 19.134 -3.251 1.00 0.00 H
+ATOM 2271 CB PRO A 143 41.806 16.996 -3.240 1.00 0.00 C
+ATOM 2272 HB2 PRO A 143 42.646 16.436 -3.652 1.00 0.00 H
+ATOM 2273 HB3 PRO A 143 41.114 17.252 -4.045 1.00 0.00 H
+ATOM 2274 CA PRO A 143 41.035 16.189 -2.182 1.00 0.00 C
+ATOM 2275 HA PRO A 143 40.076 15.891 -2.604 1.00 0.00 H
+ATOM 2276 C PRO A 143 41.785 14.875 -1.802 1.00 0.00 C
+ATOM 2277 O PRO A 143 41.425 13.765 -2.207 1.00 0.00 O
+ATOM 2278 N ASN A 144 42.887 14.962 -1.070 1.00 0.00 N
+ATOM 2279 H ASN A 144 43.235 15.873 -0.811 1.00 0.00 H
+ATOM 2280 CA ASN A 144 43.660 13.748 -0.777 1.00 0.00 C
+ATOM 2281 HA ASN A 144 43.846 13.212 -1.712 1.00 0.00 H
+ATOM 2282 CB ASN A 144 45.017 14.086 -0.154 1.00 0.00 C
+ATOM 2283 HB2 ASN A 144 44.875 14.725 0.717 1.00 0.00 H
+ATOM 2284 HB3 ASN A 144 45.502 13.165 0.171 1.00 0.00 H
+ATOM 2285 CG ASN A 144 45.975 14.764 -1.132 1.00 0.00 C
+ATOM 2286 OD1 ASN A 144 45.870 14.647 -2.347 1.00 0.00 O
+ATOM 2287 ND2 ASN A 144 46.912 15.521 -0.598 1.00 0.00 N
+ATOM 2288 HD21 ASN A 144 47.511 15.998 -1.253 1.00 0.00 H
+ATOM 2289 HD22 ASN A 144 47.022 15.638 0.391 1.00 0.00 H
+ATOM 2290 C ASN A 144 42.911 12.803 0.128 1.00 0.00 C
+ATOM 2291 O ASN A 144 42.895 11.603 -0.089 1.00 0.00 O
+ATOM 2292 N ARG A 145 42.257 13.342 1.140 1.00 0.00 N
+ATOM 2293 H ARG A 145 42.241 14.344 1.261 1.00 0.00 H
+ATOM 2294 CA ARG A 145 41.459 12.487 1.999 1.00 0.00 C
+ATOM 2295 HA ARG A 145 42.046 11.646 2.372 1.00 0.00 H
+ATOM 2296 CB ARG A 145 40.894 13.304 3.157 1.00 0.00 C
+ATOM 2297 HB2 ARG A 145 41.696 13.874 3.630 1.00 0.00 H
+ATOM 2298 HB3 ARG A 145 40.134 14.002 2.801 1.00 0.00 H
+ATOM 2299 CG ARG A 145 40.294 12.345 4.210 1.00 0.00 C
+ATOM 2300 HG2 ARG A 145 39.621 11.627 3.741 1.00 0.00 H
+ATOM 2301 HG3 ARG A 145 41.100 11.803 4.699 1.00 0.00 H
+ATOM 2302 CD ARG A 145 39.513 13.104 5.223 1.00 0.00 C
+ATOM 2303 HD2 ARG A 145 40.235 13.770 5.696 1.00 0.00 H
+ATOM 2304 HD3 ARG A 145 38.773 13.720 4.709 1.00 0.00 H
+ATOM 2305 NE ARG A 145 38.809 12.258 6.159 1.00 0.00 N
+ATOM 2306 HE ARG A 145 38.416 11.364 5.901 1.00 0.00 H
+ATOM 2307 CZ ARG A 145 38.685 12.658 7.403 1.00 0.00 C
+ATOM 2308 NH1 ARG A 145 39.210 13.799 7.788 1.00 0.00 N
+ATOM 2309 HH11 ARG A 145 39.905 14.271 7.262 1.00 0.00 H
+ATOM 2310 HH12 ARG A 145 39.079 14.031 8.780 1.00 0.00 H
+ATOM 2311 NH2 ARG A 145 38.028 11.944 8.278 1.00 0.00 N
+ATOM 2312 HH21 ARG A 145 37.548 11.103 7.984 1.00 0.00 H
+ATOM 2313 HH22 ARG A 145 38.004 12.320 9.232 1.00 0.00 H
+ATOM 2314 C ARG A 145 40.270 11.913 1.217 1.00 0.00 C
+ATOM 2315 O ARG A 145 39.970 10.720 1.277 1.00 0.00 O
+ATOM 2316 N ALA A 146 39.551 12.771 0.486 1.00 0.00 N
+ATOM 2317 H ALA A 146 39.760 13.763 0.485 1.00 0.00 H
+ATOM 2318 CA ALA A 146 38.410 12.290 -0.269 1.00 0.00 C
+ATOM 2319 HA ALA A 146 37.700 11.860 0.437 1.00 0.00 H
+ATOM 2320 CB ALA A 146 37.695 13.444 -0.974 1.00 0.00 C
+ATOM 2321 HB1 ALA A 146 38.358 13.910 -1.703 1.00 0.00 H
+ATOM 2322 HB2 ALA A 146 36.802 13.069 -1.477 1.00 0.00 H
+ATOM 2323 HB3 ALA A 146 37.390 14.192 -0.241 1.00 0.00 H
+ATOM 2324 C ALA A 146 38.812 11.160 -1.220 1.00 0.00 C
+ATOM 2325 O ALA A 146 38.086 10.173 -1.352 1.00 0.00 O
+ATOM 2326 N LYS A 147 39.972 11.314 -1.888 1.00 0.00 N
+ATOM 2327 H LYS A 147 40.457 12.204 -1.804 1.00 0.00 H
+ATOM 2328 CA LYS A 147 40.509 10.295 -2.807 1.00 0.00 C
+ATOM 2329 HA LYS A 147 39.769 10.108 -3.588 1.00 0.00 H
+ATOM 2330 CB LYS A 147 41.858 10.618 -3.470 1.00 0.00 C
+ATOM 2331 HB2 LYS A 147 42.513 11.089 -2.735 1.00 0.00 H
+ATOM 2332 HB3 LYS A 147 42.339 9.709 -3.836 1.00 0.00 H
+ATOM 2333 CG LYS A 147 41.630 11.550 -4.655 1.00 0.00 C
+ATOM 2334 HG2 LYS A 147 41.259 10.975 -5.505 1.00 0.00 H
+ATOM 2335 HG3 LYS A 147 40.841 12.248 -4.371 1.00 0.00 H
+ATOM 2336 CD LYS A 147 42.830 12.390 -5.094 1.00 0.00 C
+ATOM 2337 HD2 LYS A 147 43.413 12.672 -4.215 1.00 0.00 H
+ATOM 2338 HD3 LYS A 147 43.467 11.786 -5.743 1.00 0.00 H
+ATOM 2339 CE LYS A 147 42.386 13.685 -5.787 1.00 0.00 C
+ATOM 2340 HE2 LYS A 147 41.301 13.664 -5.911 1.00 0.00 H
+ATOM 2341 HE3 LYS A 147 42.600 14.519 -5.111 1.00 0.00 H
+ATOM 2342 NZ LYS A 147 43.036 13.917 -7.096 1.00 0.00 N1+
+ATOM 2343 HZ1 LYS A 147 42.839 13.159 -7.736 1.00 0.00 H
+ATOM 2344 HZ2 LYS A 147 42.674 14.772 -7.503 1.00 0.00 H
+ATOM 2345 HZ3 LYS A 147 44.038 14.000 -6.984 1.00 0.00 H
+ATOM 2346 C LYS A 147 40.669 8.985 -2.093 1.00 0.00 C
+ATOM 2347 O LYS A 147 40.325 7.943 -2.654 1.00 0.00 O
+ATOM 2348 N ARG A 148 41.198 9.020 -0.868 1.00 0.00 N
+ATOM 2349 H ARG A 148 41.445 9.904 -0.435 1.00 0.00 H
+ATOM 2350 CA ARG A 148 41.365 7.753 -0.162 1.00 0.00 C
+ATOM 2351 HA ARG A 148 41.897 7.038 -0.789 1.00 0.00 H
+ATOM 2352 CB ARG A 148 42.103 7.916 1.154 1.00 0.00 C
+ATOM 2353 HB2 ARG A 148 41.601 8.647 1.791 1.00 0.00 H
+ATOM 2354 HB3 ARG A 148 42.097 6.952 1.657 1.00 0.00 H
+ATOM 2355 CG ARG A 148 43.547 8.319 0.951 1.00 0.00 C
+ATOM 2356 HG2 ARG A 148 44.008 7.652 0.225 1.00 0.00 H
+ATOM 2357 HG3 ARG A 148 43.614 9.331 0.564 1.00 0.00 H
+ATOM 2358 CD ARG A 148 44.334 8.208 2.243 1.00 0.00 C
+ATOM 2359 HD2 ARG A 148 44.119 7.248 2.719 1.00 0.00 H
+ATOM 2360 HD3 ARG A 148 45.400 8.200 2.010 1.00 0.00 H
+ATOM 2361 NE ARG A 148 44.033 9.300 3.192 1.00 0.00 N
+ATOM 2362 HE ARG A 148 43.370 9.129 3.953 1.00 0.00 H
+ATOM 2363 CZ ARG A 148 44.625 10.511 3.189 1.00 0.00 C
+ATOM 2364 NH1 ARG A 148 45.543 10.849 2.288 1.00 0.00 N
+ATOM 2365 HH11 ARG A 148 45.853 10.122 1.665 1.00 0.00 H
+ATOM 2366 HH12 ARG A 148 46.066 11.688 2.412 1.00 0.00 H
+ATOM 2367 NH2 ARG A 148 44.273 11.422 4.084 1.00 0.00 N
+ATOM 2368 HH21 ARG A 148 43.655 11.045 4.817 1.00 0.00 H
+ATOM 2369 HH22 ARG A 148 44.786 12.259 4.259 1.00 0.00 H
+ATOM 2370 C ARG A 148 40.019 7.123 0.170 1.00 0.00 C
+ATOM 2371 O ARG A 148 39.841 5.921 0.032 1.00 0.00 O
+ATOM 2372 N VAL A 149 39.056 7.947 0.607 1.00 0.00 N
+ATOM 2373 H VAL A 149 39.254 8.931 0.757 1.00 0.00 H
+ATOM 2374 CA VAL A 149 37.769 7.366 1.008 1.00 0.00 C
+ATOM 2375 HA VAL A 149 37.939 6.523 1.679 1.00 0.00 H
+ATOM 2376 CB VAL A 149 36.915 8.412 1.750 1.00 0.00 C
+ATOM 2377 HB VAL A 149 36.825 9.311 1.140 1.00 0.00 H
+ATOM 2378 CG1 VAL A 149 35.519 7.874 2.053 1.00 0.00 C
+ATOM 2379 HG11 VAL A 149 35.588 6.975 2.662 1.00 0.00 H
+ATOM 2380 HG12 VAL A 149 34.965 8.629 2.605 1.00 0.00 H
+ATOM 2381 HG13 VAL A 149 34.974 7.661 1.135 1.00 0.00 H
+ATOM 2382 CG2 VAL A 149 37.578 8.776 3.088 1.00 0.00 C
+ATOM 2383 HG21 VAL A 149 38.562 9.214 2.926 1.00 0.00 H
+ATOM 2384 HG22 VAL A 149 36.964 9.504 3.621 1.00 0.00 H
+ATOM 2385 HG23 VAL A 149 37.684 7.889 3.714 1.00 0.00 H
+ATOM 2386 C VAL A 149 37.059 6.817 -0.227 1.00 0.00 C
+ATOM 2387 O VAL A 149 36.481 5.720 -0.232 1.00 0.00 O
+ATOM 2388 N ILE A 150 37.113 7.611 -1.301 1.00 0.00 N
+ATOM 2389 H ILE A 150 37.596 8.498 -1.239 1.00 0.00 H
+ATOM 2390 CA ILE A 150 36.503 7.240 -2.582 1.00 0.00 C
+ATOM 2391 HA ILE A 150 35.449 7.031 -2.393 1.00 0.00 H
+ATOM 2392 CB ILE A 150 36.558 8.340 -3.650 1.00 0.00 C
+ATOM 2393 HB ILE A 150 37.587 8.685 -3.760 1.00 0.00 H
+ATOM 2394 CG2 ILE A 150 36.063 7.783 -4.989 1.00 0.00 C
+ATOM 2395 HG21 ILE A 150 35.067 7.356 -4.867 1.00 0.00 H
+ATOM 2396 HG22 ILE A 150 36.015 8.564 -5.745 1.00 0.00 H
+ATOM 2397 HG23 ILE A 150 36.738 7.026 -5.385 1.00 0.00 H
+ATOM 2398 CG1 ILE A 150 35.659 9.510 -3.225 1.00 0.00 C
+ATOM 2399 HG12 ILE A 150 34.617 9.192 -3.257 1.00 0.00 H
+ATOM 2400 HG13 ILE A 150 35.863 9.805 -2.200 1.00 0.00 H
+ATOM 2401 CD1 ILE A 150 35.814 10.735 -4.113 1.00 0.00 C
+ATOM 2402 HD11 ILE A 150 35.456 10.543 -5.122 1.00 0.00 H
+ATOM 2403 HD12 ILE A 150 35.218 11.550 -3.701 1.00 0.00 H
+ATOM 2404 HD13 ILE A 150 36.858 11.046 -4.141 1.00 0.00 H
+ATOM 2405 C ILE A 150 37.096 5.959 -3.105 1.00 0.00 C
+ATOM 2406 O ILE A 150 36.363 5.125 -3.641 1.00 0.00 O
+ATOM 2407 N THR A 151 38.415 5.789 -2.993 1.00 0.00 N
+ATOM 2408 H THR A 151 39.006 6.544 -2.654 1.00 0.00 H
+ATOM 2409 CA THR A 151 39.036 4.545 -3.482 1.00 0.00 C
+ATOM 2410 HA THR A 151 38.778 4.378 -4.526 1.00 0.00 H
+ATOM 2411 CB THR A 151 40.549 4.644 -3.344 1.00 0.00 C
+ATOM 2412 HB THR A 151 40.805 4.960 -2.333 1.00 0.00 H
+ATOM 2413 CG2 THR A 151 41.212 3.299 -3.636 1.00 0.00 C
+ATOM 2414 HG21 THR A 151 40.863 2.897 -4.586 1.00 0.00 H
+ATOM 2415 HG22 THR A 151 42.292 3.439 -3.687 1.00 0.00 H
+ATOM 2416 HG23 THR A 151 41.019 2.582 -2.837 1.00 0.00 H
+ATOM 2417 OG1 THR A 151 41.025 5.611 -4.269 1.00 0.00 O
+ATOM 2418 HG1 THR A 151 41.899 5.877 -3.970 1.00 0.00 H
+ATOM 2419 C THR A 151 38.551 3.347 -2.671 1.00 0.00 C
+ATOM 2420 O THR A 151 38.413 2.230 -3.148 1.00 0.00 O
+ATOM 2421 N THR A 152 38.319 3.593 -1.409 1.00 0.00 N
+ATOM 2422 H THR A 152 38.549 4.499 -1.017 1.00 0.00 H
+ATOM 2423 CA THR A 152 37.850 2.571 -0.506 1.00 0.00 C
+ATOM 2424 HA THR A 152 38.511 1.705 -0.566 1.00 0.00 H
+ATOM 2425 CB THR A 152 37.901 3.124 0.949 1.00 0.00 C
+ATOM 2426 HB THR A 152 37.237 3.973 1.064 1.00 0.00 H
+ATOM 2427 CG2 THR A 152 37.453 2.061 1.940 1.00 0.00 C
+ATOM 2428 HG21 THR A 152 38.108 1.192 1.863 1.00 0.00 H
+ATOM 2429 HG22 THR A 152 37.506 2.453 2.955 1.00 0.00 H
+ATOM 2430 HG23 THR A 152 36.426 1.755 1.740 1.00 0.00 H
+ATOM 2431 OG1 THR A 152 39.238 3.535 1.244 1.00 0.00 O
+ATOM 2432 HG1 THR A 152 39.270 3.778 2.169 1.00 0.00 H
+ATOM 2433 C THR A 152 36.446 2.128 -0.941 1.00 0.00 C
+ATOM 2434 O THR A 152 36.109 0.949 -0.959 1.00 0.00 O
+ATOM 2435 N PHE A 153 35.582 3.074 -1.295 1.00 0.00 N
+ATOM 2436 H PHE A 153 35.818 4.057 -1.222 1.00 0.00 H
+ATOM 2437 CA PHE A 153 34.241 2.644 -1.691 1.00 0.00 C
+ATOM 2438 HA PHE A 153 33.809 1.951 -0.972 1.00 0.00 H
+ATOM 2439 CB PHE A 153 33.329 3.867 -1.849 1.00 0.00 C
+ATOM 2440 HB2 PHE A 153 33.880 4.667 -2.347 1.00 0.00 H
+ATOM 2441 HB3 PHE A 153 32.509 3.596 -2.517 1.00 0.00 H
+ATOM 2442 CG PHE A 153 32.677 4.394 -0.588 1.00 0.00 C
+ATOM 2443 CD1 PHE A 153 31.806 3.611 0.192 1.00 0.00 C
+ATOM 2444 HD1 PHE A 153 31.604 2.593 -0.101 1.00 0.00 H
+ATOM 2445 CE1 PHE A 153 31.151 4.137 1.320 1.00 0.00 C
+ATOM 2446 HE1 PHE A 153 30.477 3.521 1.898 1.00 0.00 H
+ATOM 2447 CZ PHE A 153 31.392 5.461 1.697 1.00 0.00 C
+ATOM 2448 HZ PHE A 153 30.891 5.885 2.553 1.00 0.00 H
+ATOM 2449 CE2 PHE A 153 32.262 6.241 0.924 1.00 0.00 C
+ATOM 2450 HE2 PHE A 153 32.442 7.268 1.207 1.00 0.00 H
+ATOM 2451 CD2 PHE A 153 32.897 5.720 -0.211 1.00 0.00 C
+ATOM 2452 HD2 PHE A 153 33.554 6.349 -0.794 1.00 0.00 H
+ATOM 2453 C PHE A 153 34.297 1.966 -3.048 1.00 0.00 C
+ATOM 2454 O PHE A 153 33.550 1.043 -3.367 1.00 0.00 O
+ATOM 2455 N ARG A 154 35.213 2.465 -3.885 1.00 0.00 N
+ATOM 2456 H ARG A 154 35.744 3.289 -3.615 1.00 0.00 H
+ATOM 2457 CA ARG A 154 35.364 1.896 -5.222 1.00 0.00 C
+ATOM 2458 HA ARG A 154 34.375 1.907 -5.678 1.00 0.00 H
+ATOM 2459 CB ARG A 154 36.303 2.653 -6.163 1.00 0.00 C
+ATOM 2460 HB2 ARG A 154 36.260 3.713 -5.910 1.00 0.00 H
+ATOM 2461 HB3 ARG A 154 37.328 2.312 -6.018 1.00 0.00 H
+ATOM 2462 CG ARG A 154 35.864 2.519 -7.642 1.00 0.00 C
+ATOM 2463 HG2 ARG A 154 35.910 1.465 -7.917 1.00 0.00 H
+ATOM 2464 HG3 ARG A 154 34.830 2.846 -7.757 1.00 0.00 H
+ATOM 2465 CD ARG A 154 36.736 3.296 -8.637 1.00 0.00 C
+ATOM 2466 HD2 ARG A 154 36.718 2.791 -9.606 1.00 0.00 H
+ATOM 2467 HD3 ARG A 154 36.279 4.276 -8.785 1.00 0.00 H
+ATOM 2468 NE ARG A 154 38.102 3.501 -8.148 1.00 0.00 N
+ATOM 2469 HE ARG A 154 38.260 4.308 -7.571 1.00 0.00 H
+ATOM 2470 CZ ARG A 154 39.136 2.685 -8.378 1.00 0.00 C
+ATOM 2471 NH1 ARG A 154 39.005 1.580 -9.101 1.00 0.00 N
+ATOM 2472 HH11 ARG A 154 38.099 1.366 -9.495 1.00 0.00 H
+ATOM 2473 HH12 ARG A 154 39.783 0.993 -9.322 1.00 0.00 H
+ATOM 2474 NH2 ARG A 154 40.330 2.976 -7.868 1.00 0.00 N
+ATOM 2475 HH21 ARG A 154 40.438 3.774 -7.272 1.00 0.00 H
+ATOM 2476 HH22 ARG A 154 41.092 2.333 -7.986 1.00 0.00 H
+ATOM 2477 C ARG A 154 35.814 0.474 -5.208 1.00 0.00 C
+ATOM 2478 O ARG A 154 35.257 -0.311 -5.956 1.00 0.00 O
+ATOM 2479 N THR A 155 36.844 0.181 -4.410 1.00 0.00 N
+ATOM 2480 H THR A 155 37.285 0.915 -3.862 1.00 0.00 H
+ATOM 2481 CA THR A 155 37.460 -1.135 -4.396 1.00 0.00 C
+ATOM 2482 HA THR A 155 37.274 -1.631 -5.349 1.00 0.00 H
+ATOM 2483 CB THR A 155 38.993 -1.010 -4.240 1.00 0.00 C
+ATOM 2484 HB THR A 155 39.422 -2.013 -4.254 1.00 0.00 H
+ATOM 2485 CG2 THR A 155 39.579 -0.241 -5.412 1.00 0.00 C
+ATOM 2486 HG21 THR A 155 39.219 0.787 -5.418 1.00 0.00 H
+ATOM 2487 HG22 THR A 155 40.665 -0.230 -5.316 1.00 0.00 H
+ATOM 2488 HG23 THR A 155 39.314 -0.733 -6.347 1.00 0.00 H
+ATOM 2489 OG1 THR A 155 39.348 -0.393 -3.005 1.00 0.00 O
+ATOM 2490 HG1 THR A 155 40.164 -0.812 -2.688 1.00 0.00 H
+ATOM 2491 C THR A 155 36.990 -2.075 -3.325 1.00 0.00 C
+ATOM 2492 O THR A 155 37.144 -3.269 -3.467 1.00 0.00 O
+ATOM 2493 N GLY A 156 36.527 -1.574 -2.207 1.00 0.00 N
+ATOM 2494 H GLY A 156 36.491 -0.570 -2.058 1.00 0.00 H
+ATOM 2495 CA GLY A 156 36.216 -2.457 -1.123 1.00 0.00 C
+ATOM 2496 HA2 GLY A 156 35.648 -1.912 -0.371 1.00 0.00 H
+ATOM 2497 HA3 GLY A 156 35.636 -3.315 -1.460 1.00 0.00 H
+ATOM 2498 C GLY A 156 37.499 -2.960 -0.468 1.00 0.00 C
+ATOM 2499 O GLY A 156 37.442 -3.965 0.211 1.00 0.00 O
+ATOM 2500 N THR A 157 38.654 -2.287 -0.629 1.00 0.00 N
+ATOM 2501 H THR A 157 38.654 -1.425 -1.159 1.00 0.00 H
+ATOM 2502 CA THR A 157 39.914 -2.721 -0.004 1.00 0.00 C
+ATOM 2503 HA THR A 157 39.747 -3.544 0.691 1.00 0.00 H
+ATOM 2504 CB THR A 157 40.957 -3.143 -1.063 1.00 0.00 C
+ATOM 2505 HB THR A 157 41.810 -3.580 -0.543 1.00 0.00 H
+ATOM 2506 CG2 THR A 157 40.421 -4.194 -2.022 1.00 0.00 C
+ATOM 2507 HG21 THR A 157 39.598 -3.794 -2.611 1.00 0.00 H
+ATOM 2508 HG22 THR A 157 41.218 -4.508 -2.698 1.00 0.00 H
+ATOM 2509 HG23 THR A 157 40.071 -5.062 -1.462 1.00 0.00 H
+ATOM 2510 OG1 THR A 157 41.425 -2.005 -1.785 1.00 0.00 O
+ATOM 2511 HG1 THR A 157 42.108 -2.328 -2.408 1.00 0.00 H
+ATOM 2512 C THR A 157 40.548 -1.566 0.735 1.00 0.00 C
+ATOM 2513 O THR A 157 40.154 -0.434 0.566 1.00 0.00 O
+ATOM 2514 N TRP A 158 41.592 -1.819 1.505 1.00 0.00 N
+ATOM 2515 H TRP A 158 41.877 -2.773 1.634 1.00 0.00 H
+ATOM 2516 CA TRP A 158 42.319 -0.751 2.209 1.00 0.00 C
+ATOM 2517 HA TRP A 158 41.666 0.106 2.389 1.00 0.00 H
+ATOM 2518 CB TRP A 158 42.865 -1.263 3.548 1.00 0.00 C
+ATOM 2519 HB2 TRP A 158 43.545 -2.098 3.369 1.00 0.00 H
+ATOM 2520 HB3 TRP A 158 43.429 -0.473 4.046 1.00 0.00 H
+ATOM 2521 CG TRP A 158 41.807 -1.681 4.500 1.00 0.00 C
+ATOM 2522 CD1 TRP A 158 41.516 -2.960 4.827 1.00 0.00 C
+ATOM 2523 HD1 TRP A 158 41.987 -3.836 4.398 1.00 0.00 H
+ATOM 2524 NE1 TRP A 158 40.513 -2.989 5.762 1.00 0.00 N
+ATOM 2525 HE1 TRP A 158 40.103 -3.834 6.137 1.00 0.00 H
+ATOM 2526 CE2 TRP A 158 40.105 -1.710 6.078 1.00 0.00 C
+ATOM 2527 CZ2 TRP A 158 39.096 -1.258 6.929 1.00 0.00 C
+ATOM 2528 HZ2 TRP A 158 38.486 -1.955 7.483 1.00 0.00 H
+ATOM 2529 CH2 TRP A 158 38.924 0.105 7.058 1.00 0.00 C
+ATOM 2530 HH2 TRP A 158 38.198 0.498 7.749 1.00 0.00 H
+ATOM 2531 CZ3 TRP A 158 39.727 0.979 6.322 1.00 0.00 C
+ATOM 2532 HZ3 TRP A 158 39.572 2.041 6.427 1.00 0.00 H
+ATOM 2533 CE3 TRP A 158 40.685 0.535 5.419 1.00 0.00 C
+ATOM 2534 HE3 TRP A 158 41.271 1.243 4.849 1.00 0.00 H
+ATOM 2535 CD2 TRP A 158 40.924 -0.843 5.313 1.00 0.00 C
+ATOM 2536 C TRP A 158 43.503 -0.266 1.401 1.00 0.00 C
+ATOM 2537 O TRP A 158 44.387 0.340 1.972 1.00 0.00 O
+ATOM 2538 N ASP A 159 43.589 -0.553 0.116 1.00 0.00 N
+ATOM 2539 H ASP A 159 42.818 -0.982 -0.383 1.00 0.00 H
+ATOM 2540 CA ASP A 159 44.787 -0.140 -0.605 1.00 0.00 C
+ATOM 2541 HA ASP A 159 45.640 -0.679 -0.248 1.00 0.00 H
+ATOM 2542 CB ASP A 159 44.701 -0.545 -2.068 1.00 0.00 C
+ATOM 2543 HB2 ASP A 159 43.855 -0.033 -2.530 1.00 0.00 H
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+ATOM 2545 CG ASP A 159 44.542 -2.041 -2.253 1.00 0.00 C
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+ATOM 2549 O ASP A 159 46.363 1.639 -0.394 1.00 0.00 O
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+ATOM 2573 OH TYR A 161 40.629 7.271 4.231 1.00 0.00 O
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+ATOM 2577 CD2 TYR A 161 43.635 5.352 5.244 1.00 0.00 C
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+ATOM 2579 C TYR A 161 46.910 2.639 3.548 1.00 0.00 C
+ATOM 2580 O TYR A 161 47.493 2.728 4.630 1.00 0.00 O
+ATOM 2581 N LYS A 162 47.432 1.956 2.532 1.00 0.00 N
+ATOM 2582 H LYS A 162 47.053 2.030 1.593 1.00 0.00 H
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+ATOM 2584 HA LYS A 162 49.071 1.403 3.733 1.00 0.00 H
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+ATOM 2586 HB2 LYS A 162 48.479 -0.375 1.433 1.00 0.00 H
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+ATOM 2591 CD LYS A 162 47.091 -2.263 2.809 1.00 0.00 C
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+ATOM 2593 HD3 LYS A 162 46.226 -2.583 3.390 1.00 0.00 H
+ATOM 2594 CE LYS A 162 46.761 -2.359 1.314 1.00 0.00 C
+ATOM 2595 HE2 LYS A 162 46.414 -1.368 1.054 1.00 0.00 H
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+ATOM 2597 NZ LYS A 162 45.736 -3.377 0.982 1.00 0.00 N1+
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+ATOM 2601 C LYS A 162 49.826 1.936 1.920 1.00 0.00 C
+ATOM 2602 O LYS A 162 50.879 2.196 2.517 1.00 0.00 O1-
+ATOM 2603 OXT LYS A 162 49.718 2.064 0.697 1.00 0.00 O
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+END
diff --git a/notebooks/tutorials/protein_ligand_complex.ipynb b/notebooks/tutorials/protein_ligand_complex.ipynb
new file mode 100644
index 00000000..ed90ff0b
--- /dev/null
+++ b/notebooks/tutorials/protein_ligand_complex.ipynb
@@ -0,0 +1,304 @@
+{
+ "cells": [
+ {
+ "attachments": {},
+ "cell_type": "markdown",
+ "metadata": {
+ "id": "a1WqSEhzrRKO"
+ },
+ "source": [
+ "# Protein Ligand Complex\n",
+ "\n",
+ "In this notebook we will demonstrate one way of setting up a simulation of a protein-ligand complex in OpenMM.\n",
+ "\n",
+ "We will use the OpenMM package [openmmforcefields](https://github.com/openmm/openmmforcefields) and an external package called Open Force Field toolkit ([openff-toolkit](https://github.com/openforcefield/openff-toolkit)).\n",
+ "\n",
+ "We will cover the following steps:\n",
+ "\n",
+ " - Loading in the ligand with `openff-toolkit`.\n",
+ " - Parameterising the ligand force-field with `openmmforcefields`.\n",
+ " - Combining the topologies.\n",
+ " - Solvating and simulating.\n",
+ "\n",
+ "*Note this notebook is based on the [openff-toolkit example](https://github.com/openforcefield/openff-toolkit/blob/stable/examples/toolkit_showcase/toolkit_showcase.ipynb) . We would like to give credit to the Open ForceField Authors.*\n",
+ "\n",
+ "\n",
+ "\n",
+ "## Extra packages\n",
+ "\n",
+ "\n",
+ "We will need to install the additional python packages:\n",
+ "\n",
+ " - openmmforcefields\n",
+ " - github: https://github.com/openmm/openmmforcefields\n",
+ " - conda-forge: https://anaconda.org/conda-forge/openmmforcefields\n",
+ " - openff-toolkit\n",
+ " - github: https://github.com/openforcefield/openff-toolkit\n",
+ " - conda-forge: https://anaconda.org/conda-forge/openff-toolkit\n",
+ "\n",
+ "Both of these will be installed if you install openmmforcefields from conda-forge.\n"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": null,
+ "metadata": {
+ "id": "T_-_BLwFrRKT"
+ },
+ "outputs": [],
+ "source": [
+ "!mamba install -y -c conda-forge openmmforcefields"
+ ]
+ },
+ {
+ "attachments": {},
+ "cell_type": "markdown",
+ "metadata": {
+ "id": "gcfdPKeSrRKU"
+ },
+ "source": [
+ "## Imports\n",
+ "\n",
+ "We need to be careful with the imports here because OpenMM and OpenFF have some objects with the same names. For this reason we no longer use the wildcard imports and adopt a more typical Python programming approach."
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": null,
+ "metadata": {
+ "id": "kDHjxL6wrRKU"
+ },
+ "outputs": [],
+ "source": [
+ "# OpenMM imports\n",
+ "import openmm.app as app\n",
+ "import openmm as mm\n",
+ "import openmm.unit as unit\n",
+ "\n",
+ "# OpenMM-forcefields imports\n",
+ "from openmmforcefields.generators import SMIRNOFFTemplateGenerator\n",
+ "\n",
+ "# OpenFF-toolkit imports\n",
+ "from openff.toolkit import Molecule\n",
+ "from openff.toolkit import Topology as offTopology\n",
+ "from openff.units.openmm import to_openmm as offquantity_to_openmm\n",
+ "\n",
+ "# other imports\n",
+ "from sys import stdout"
+ ]
+ },
+ {
+ "attachments": {},
+ "cell_type": "markdown",
+ "metadata": {
+ "id": "rnEI4Fc-rRKU"
+ },
+ "source": [
+ "## System\n",
+ "\n",
+ "Our example system will be a complex of a benzene ligand and a lysozyme protein. The lysozyme is an antimicrobial protein that has been extensively studied by MD simulations. We can download the files from the github repo."
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": null,
+ "metadata": {
+ "id": "XWgLx3XYrRKV"
+ },
+ "outputs": [],
+ "source": [
+ "# get the files\n",
+ "!wget https://raw.githubusercontent.com/openmm/openmm_workshop_july2023/main/section_1/benzene.sdf\n",
+ "!wget https://raw.githubusercontent.com/openmm/openmm_workshop_july2023/main/section_1/lysozyme.pdb"
+ ]
+ },
+ {
+ "attachments": {},
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "The benzene-lysozyme complex in shown in the figure below.\n",
+ "\n",
+ "\n",
+ "**Figure.** Benzene-lysozyme complex.\n",
+ "\n",
+ "Note that the files we are using have already been cleaned up (see [PDBFixer](https://github.com/openmm/pdbfixer) for more info). Additionally, the ligand is aligned with the protein and in an appropriate binding site. This is something you would need to do with a docking program before using OpenMM!"
+ ]
+ },
+ {
+ "attachments": {},
+ "cell_type": "markdown",
+ "metadata": {
+ "id": "ME4FZlXwrRKV"
+ },
+ "source": [
+ "## Load in the molecules\n",
+ "\n",
+ "The protein is a PDB file so we can load it as before with `PDBFile`. The benzene molecule is in SDF file format for which OpenMM does not have loaders. We need to use OpenFF toolkit to load it."
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": null,
+ "metadata": {
+ "id": "mUZqalWTrRKW"
+ },
+ "outputs": [],
+ "source": [
+ "protein_path = 'lysozyme.pdb'\n",
+ "ligand_path = 'benzene.sdf'\n",
+ "\n",
+ "# Load a molecule from a SDF file\n",
+ "ligand = Molecule.from_file(ligand_path)\n",
+ "\n",
+ "# Load in the protein from a PDB file\n",
+ "protein_pdb = app.PDBFile(protein_path)"
+ ]
+ },
+ {
+ "attachments": {},
+ "cell_type": "markdown",
+ "metadata": {
+ "id": "kKdc9iyurRKW"
+ },
+ "source": [
+ "### Creating the ForceField\n",
+ "\n",
+ "\n",
+ "We now need to define the forcefield to use. For the protein we can use the standard forcefields already available in OpenMM. For the benzene molecule we will need to generate a forcefield template for it.\n",
+ "\n",
+ "We can do this using the residue template generators for small molecules from the [openmmforcefields](https://github.com/openmm/openmmforcefields) package. There is a choice between the [Amber GAFF small molecule force field](http://ambermd.org/antechamber/gaff.html) or the [Open Force Field Initiative force fields](https://github.com/openforcefield/openff-forcefields).\n",
+ "\n",
+ "For this example we will use [OpenFF SMIRNOFF](https://docs.openforcefield.org/projects/toolkit/en/stable/users/smirnoff.html).\n"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": null,
+ "metadata": {
+ "id": "j6dzzVydrRKW"
+ },
+ "outputs": [],
+ "source": [
+ "# Create the SMIRNOFF template generator with the default installed force field\n",
+ "smirnoff = SMIRNOFFTemplateGenerator(molecules=ligand)\n",
+ "\n",
+ "# we can check which version of the force field is being used\n",
+ "print(smirnoff.smirnoff_filename)\n",
+ "\n",
+ "# Create an OpenMM ForceField object with AMBER ff14SB and TIP3P\n",
+ "ff = app.ForceField('amber/protein.ff14SB.xml', 'amber/tip3p_standard.xml')\n",
+ "\n",
+ "# add in the SMIRNOFF template generator\n",
+ "ff.registerTemplateGenerator(smirnoff.generator)"
+ ]
+ },
+ {
+ "attachments": {},
+ "cell_type": "markdown",
+ "metadata": {
+ "id": "lD_4s8narRKW"
+ },
+ "source": [
+ "### Combine topologies and solvate\n",
+ "\n",
+ "\n",
+ "We can convert from the OpenFF format topology to an OpenMM format topology and then use the OpenMM Modeller to combine the ligand and protein into a single topology. Once combined we can solvate as before."
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": null,
+ "metadata": {
+ "id": "ty2DhYkMrRKW"
+ },
+ "outputs": [],
+ "source": [
+ "# make an OpenMM Modeller object with the protein\n",
+ "modeller = app.Modeller(protein_pdb.topology, protein_pdb.positions)\n",
+ "\n",
+ "# make an OpenFF Topology of the ligand\n",
+ "ligand_off_topology = offTopology.from_molecules(molecules=[ligand])\n",
+ "\n",
+ "# convert it to an OpenMM Topology\n",
+ "ligand_omm_topology = ligand_off_topology.to_openmm()\n",
+ "\n",
+ "# get the positions of the ligand\n",
+ "ligand_positions = offquantity_to_openmm(ligand.conformers[0])\n",
+ "\n",
+ "# add the ligand to the Modeller\n",
+ "modeller.add(ligand_omm_topology, ligand_positions)\n",
+ "\n",
+ "# solvate\n",
+ "modeller.addSolvent(ff, padding=1.0*unit.nanometer, ionicStrength=0.15*unit.molar)\n"
+ ]
+ },
+ {
+ "attachments": {},
+ "cell_type": "markdown",
+ "metadata": {
+ "id": "Vi8r-JjurRKX"
+ },
+ "source": [
+ "## Simulate\n",
+ "\n",
+ "We can now simulate in the NVT ensemble. See the previous tutorial \"Protein in water\" for more explanation of this final step."
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": null,
+ "metadata": {
+ "id": "cWmDX1ZkrRKX"
+ },
+ "outputs": [],
+ "source": [
+ "system = ff.createSystem(modeller.topology, nonbondedMethod=app.PME, constraints=app.HBonds)\n",
+ "integrator = mm.LangevinMiddleIntegrator(300*unit.kelvin, 1/unit.picosecond, 0.002*unit.picoseconds)\n",
+ "simulation = app.Simulation(modeller.topology, system, integrator)\n",
+ "\n",
+ "simulation.context.setPositions(modeller.positions)\n",
+ "\n",
+ "simulation.minimizeEnergy(maxIterations=100)\n",
+ "\n",
+ "simulation.context.setVelocitiesToTemperature(300*unit.kelvin)\n",
+ "\n",
+ "simulation.reporters.append(app.PDBReporter('traj.pdb', 1000))\n",
+ "\n",
+ "simulation.reporters.append(app.StateDataReporter(stdout, 100, step=True,\n",
+ " potentialEnergy=True, temperature=True, speed=True))\n",
+ "\n",
+ "print(\"Running simulation...\")\n",
+ "simulation.step(1000)"
+ ]
+ }
+ ],
+ "metadata": {
+ "colab": {
+ "provenance": []
+ },
+ "kernelspec": {
+ "display_name": "openff",
+ "language": "python",
+ "name": "python3"
+ },
+ "language_info": {
+ "codemirror_mode": {
+ "name": "ipython",
+ "version": 3
+ },
+ "file_extension": ".py",
+ "mimetype": "text/x-python",
+ "name": "python",
+ "nbconvert_exporter": "python",
+ "pygments_lexer": "ipython3",
+ "version": "3.10.8"
+ },
+ "nbsphinx": {
+ "execute": "never"
+ },
+ "orig_nbformat": 4
+ },
+ "nbformat": 4,
+ "nbformat_minor": 0
+}
diff --git a/tutorials.md b/tutorials.md
index 7e8a48fc..76bde600 100644
--- a/tutorials.md
+++ b/tutorials.md
@@ -11,6 +11,7 @@ glob: True
caption: Basic Tutorials
---
notebooks/tutorials/protein_in_water
+notebooks/tutorials/protein_ligand_complex
:::
## Coarse-graining