USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 THR OG1 : rot -109:sc= 0.00501 USER MOD Set 1.2: A 14 THR OG1 : rot 10:sc= 0.913 USER MOD Set 2.1: A 9 ASN : amide:sc= -3.94! C(o=-3.9!,f=-3.4!) USER MOD Set 2.2: A 21 SER OG : rot -160:sc= 0 USER MOD Set 3.1: A 7 CYS SG : rot 158:sc= 0.505 USER MOD Set 3.2: A 10 CYS SG : rot -52:sc= -2.2 USER MOD Set 3.3: A 28 CYS SG : rot -124:sc= 0.883 USER MOD Set 3.4: A 31 CYS SG : rot 85:sc= 0.0322 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 82:sc= 0.402 USER MOD Single : A 11 GLN : amide:sc= -4.2! C(o=-4.2!,f=-3!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -131:sc= 0.355 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -2.61! K(o=-2.6!,f=-0.8) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 41 ASN : amide:sc= -1.72 K(o=-1.7,f=-3.2!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.56 K(o=-1.6,f=-4.8!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -6.486 10.488 14.790 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.312 9.911 15.896 1.00 0.00 C ATOM 1070 C ALA A 3 -8.801 9.930 15.533 1.00 0.00 C ATOM 1071 O ALA A 3 -9.386 10.974 15.322 1.00 0.00 O ATOM 1072 CB ALA A 3 -7.107 10.752 17.160 1.00 0.00 C ATOM 0 HA ALA A 3 -7.001 8.879 16.060 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.705 10.339 17.972 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.054 10.736 17.441 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.416 11.779 16.968 1.00 0.00 H new ATOM 1078 N GLY A 4 -9.424 8.783 15.493 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.885 8.728 15.181 1.00 0.00 C ATOM 1080 C GLY A 4 -11.124 8.751 13.670 1.00 0.00 C ATOM 1081 O GLY A 4 -12.230 8.549 13.213 1.00 0.00 O ATOM 0 H GLY A 4 -8.985 7.878 15.663 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.318 7.823 15.608 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.392 9.574 15.646 1.00 0.00 H new ATOM 1085 N THR A 5 -10.115 9.011 12.884 1.00 0.00 N ATOM 1086 CA THR A 5 -10.338 9.057 11.411 1.00 0.00 C ATOM 1087 C THR A 5 -10.622 7.657 10.881 1.00 0.00 C ATOM 1088 O THR A 5 -9.751 6.811 10.834 1.00 0.00 O ATOM 1089 CB THR A 5 -9.106 9.605 10.689 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.606 10.735 11.391 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.490 10.010 9.256 1.00 0.00 C ATOM 0 H THR A 5 -9.159 9.191 13.192 1.00 0.00 H new ATOM 0 HA THR A 5 -11.189 9.712 11.225 1.00 0.00 H new ATOM 0 HB THR A 5 -8.334 8.836 10.651 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.816 11.084 10.928 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.612 10.401 8.741 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.867 9.139 8.720 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.263 10.778 9.290 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.826 7.430 10.442 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.198 6.111 9.856 1.00 0.00 C ATOM 1101 C VAL A 6 -12.617 6.382 8.421 1.00 0.00 C ATOM 1102 O VAL A 6 -13.259 7.374 8.139 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.360 5.496 10.642 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.907 5.204 12.074 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.544 6.468 10.671 1.00 0.00 C ATOM 0 H VAL A 6 -12.583 8.114 10.464 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.365 5.409 9.897 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.669 4.570 10.158 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.733 4.766 12.635 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.070 4.506 12.056 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.595 6.132 12.553 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.366 6.023 11.232 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.239 7.398 11.150 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.870 6.675 9.652 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.263 5.543 7.500 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.658 5.809 6.101 1.00 0.00 C ATOM 1117 C CYS A 7 -14.171 5.867 6.003 1.00 0.00 C ATOM 1118 O CYS A 7 -14.866 4.909 6.272 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.116 4.692 5.230 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.521 5.001 3.496 1.00 0.00 S ATOM 0 H CYS A 7 -11.722 4.692 7.653 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.253 6.764 5.766 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.035 4.618 5.351 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.538 3.738 5.545 1.00 0.00 H new ATOM 0 HG CYS A 7 -11.703 4.337 2.734 1.00 0.00 H new ATOM 1125 N SER A 8 -14.683 6.987 5.614 1.00 0.00 N ATOM 1126 CA SER A 8 -16.146 7.126 5.489 1.00 0.00 C ATOM 1127 C SER A 8 -16.675 6.111 4.478 1.00 0.00 C ATOM 1128 O SER A 8 -17.734 5.544 4.656 1.00 0.00 O ATOM 1129 CB SER A 8 -16.472 8.534 5.015 1.00 0.00 C ATOM 1130 OG SER A 8 -16.081 9.465 6.017 1.00 0.00 O ATOM 0 H SER A 8 -14.146 7.820 5.375 1.00 0.00 H new ATOM 0 HA SER A 8 -16.615 6.945 6.456 1.00 0.00 H new ATOM 0 HB2 SER A 8 -15.952 8.746 4.081 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.539 8.625 4.813 1.00 0.00 H new ATOM 0 HG SER A 8 -15.122 9.648 5.937 1.00 0.00 H new ATOM 1136 N ASN A 9 -15.969 5.897 3.392 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.483 4.941 2.376 1.00 0.00 C ATOM 1138 C ASN A 9 -16.308 3.487 2.833 1.00 0.00 C ATOM 1139 O ASN A 9 -17.169 2.673 2.564 1.00 0.00 O ATOM 1140 CB ASN A 9 -15.738 5.149 1.055 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.157 6.486 0.441 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.192 7.026 0.781 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -15.404 7.040 -0.470 1.00 0.00 N ATOM 0 H ASN A 9 -15.075 6.337 3.173 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.548 5.131 2.243 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.662 5.136 1.226 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -15.961 4.334 0.366 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -15.684 7.924 -0.895 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.535 6.589 -0.757 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.209 3.117 3.490 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.051 1.670 3.897 1.00 0.00 C ATOM 1152 C CYS A 10 -14.634 1.498 5.367 1.00 0.00 C ATOM 1153 O CYS A 10 -14.215 0.426 5.759 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.060 0.946 2.965 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.338 1.311 3.396 1.00 0.00 S ATOM 0 H CYS A 10 -14.442 3.736 3.752 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.036 1.213 3.797 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.228 -0.129 3.021 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.247 1.245 1.934 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.171 2.598 3.463 1.00 0.00 H new ATOM 1160 N GLN A 11 -14.790 2.497 6.201 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.464 2.327 7.656 1.00 0.00 C ATOM 1162 C GLN A 11 -13.033 1.816 7.906 1.00 0.00 C ATOM 1163 O GLN A 11 -12.608 1.723 9.039 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.501 1.349 8.252 1.00 0.00 C ATOM 1165 CG GLN A 11 -15.088 0.865 9.648 1.00 0.00 C ATOM 1166 CD GLN A 11 -14.766 2.060 10.548 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -15.573 2.955 10.701 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -13.613 2.112 11.158 1.00 0.00 N ATOM 0 H GLN A 11 -15.129 3.423 5.940 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.511 3.303 8.139 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -16.473 1.840 8.310 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.616 0.492 7.589 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -15.891 0.275 10.089 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -14.218 0.213 9.572 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -12.934 1.361 11.031 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -13.391 2.903 11.762 1.00 0.00 H new ATOM 1177 N THR A 12 -12.262 1.501 6.906 1.00 0.00 N ATOM 1178 CA THR A 12 -10.884 1.020 7.220 1.00 0.00 C ATOM 1179 C THR A 12 -10.168 2.096 8.054 1.00 0.00 C ATOM 1180 O THR A 12 -10.297 3.273 7.780 1.00 0.00 O ATOM 1181 CB THR A 12 -10.107 0.721 5.928 1.00 0.00 C ATOM 1182 OG1 THR A 12 -8.913 0.031 6.257 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.757 2.007 5.188 1.00 0.00 C ATOM 0 H THR A 12 -12.510 1.551 5.918 1.00 0.00 H new ATOM 0 HA THR A 12 -10.938 0.093 7.790 1.00 0.00 H new ATOM 0 HB THR A 12 -10.734 0.111 5.278 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.144 0.620 6.109 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.208 1.765 4.278 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.673 2.538 4.929 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.140 2.638 5.827 1.00 0.00 H new ATOM 1191 N SER A 13 -9.400 1.709 9.058 1.00 0.00 N ATOM 1192 CA SER A 13 -8.666 2.736 9.891 1.00 0.00 C ATOM 1193 C SER A 13 -7.193 2.728 9.481 1.00 0.00 C ATOM 1194 O SER A 13 -6.421 3.584 9.864 1.00 0.00 O ATOM 1195 CB SER A 13 -8.803 2.418 11.381 1.00 0.00 C ATOM 1196 OG SER A 13 -8.098 1.218 11.671 1.00 0.00 O ATOM 0 H SER A 13 -9.250 0.739 9.335 1.00 0.00 H new ATOM 0 HA SER A 13 -9.096 3.723 9.719 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.407 3.240 11.978 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.855 2.309 11.646 1.00 0.00 H new ATOM 0 HG SER A 13 -8.182 1.012 12.625 1.00 0.00 H new ATOM 1202 N THR A 14 -6.811 1.769 8.682 1.00 0.00 N ATOM 1203 CA THR A 14 -5.401 1.683 8.202 1.00 0.00 C ATOM 1204 C THR A 14 -5.354 2.183 6.769 1.00 0.00 C ATOM 1205 O THR A 14 -6.040 1.674 5.903 1.00 0.00 O ATOM 1206 CB THR A 14 -4.942 0.229 8.238 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.698 -0.527 7.301 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.154 -0.328 9.644 1.00 0.00 C ATOM 0 H THR A 14 -7.425 1.031 8.336 1.00 0.00 H new ATOM 0 HA THR A 14 -4.750 2.284 8.837 1.00 0.00 H new ATOM 0 HB THR A 14 -3.885 0.167 7.979 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.226 0.080 6.741 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.828 -1.368 9.677 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.574 0.257 10.358 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.211 -0.271 9.902 1.00 0.00 H new ATOM 1216 N THR A 15 -4.559 3.179 6.502 1.00 0.00 N ATOM 1217 CA THR A 15 -4.486 3.714 5.116 1.00 0.00 C ATOM 1218 C THR A 15 -3.073 4.194 4.834 1.00 0.00 C ATOM 1219 O THR A 15 -2.381 4.669 5.714 1.00 0.00 O ATOM 1220 CB THR A 15 -5.436 4.908 4.992 1.00 0.00 C ATOM 1221 OG1 THR A 15 -4.805 6.067 5.520 1.00 0.00 O ATOM 1222 CG2 THR A 15 -6.704 4.632 5.788 1.00 0.00 C ATOM 0 H THR A 15 -3.958 3.645 7.182 1.00 0.00 H new ATOM 0 HA THR A 15 -4.763 2.932 4.409 1.00 0.00 H new ATOM 0 HB THR A 15 -5.685 5.065 3.943 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.418 6.522 6.135 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.381 5.482 5.700 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.191 3.738 5.398 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.449 4.478 6.837 1.00 0.00 H new ATOM 1230 N THR A 16 -2.643 4.110 3.614 1.00 0.00 N ATOM 1231 CA THR A 16 -1.289 4.605 3.297 1.00 0.00 C ATOM 1232 C THR A 16 -1.341 6.130 3.358 1.00 0.00 C ATOM 1233 O THR A 16 -0.452 6.775 3.880 1.00 0.00 O ATOM 1234 CB THR A 16 -0.889 4.131 1.904 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.508 4.956 0.927 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.343 2.688 1.712 1.00 0.00 C ATOM 0 H THR A 16 -3.167 3.723 2.829 1.00 0.00 H new ATOM 0 HA THR A 16 -0.550 4.227 4.004 1.00 0.00 H new ATOM 0 HB THR A 16 0.194 4.191 1.795 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.250 4.653 0.032 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.058 2.346 0.717 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.870 2.055 2.462 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.426 2.630 1.819 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.406 6.710 2.857 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.551 8.196 2.916 1.00 0.00 C ATOM 1246 C LEU A 17 -4.028 8.537 3.106 1.00 0.00 C ATOM 1247 O LEU A 17 -4.881 8.033 2.403 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.025 8.848 1.619 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.449 10.248 1.898 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.258 10.170 2.889 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.000 10.877 0.558 1.00 0.00 C ATOM 0 H LEU A 17 -3.179 6.217 2.411 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.966 8.582 3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.255 8.216 1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.833 8.922 0.892 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.218 10.870 2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.131 11.172 3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.596 9.737 3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.529 9.546 2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.590 11.870 0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.237 10.248 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.856 10.956 -0.112 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.344 9.397 4.035 1.00 0.00 N ATOM 1264 CA TRP A 18 -5.764 9.767 4.239 1.00 0.00 C ATOM 1265 C TRP A 18 -6.175 10.766 3.163 1.00 0.00 C ATOM 1266 O TRP A 18 -5.530 11.774 2.957 1.00 0.00 O ATOM 1267 CB TRP A 18 -5.922 10.426 5.616 1.00 0.00 C ATOM 1268 CG TRP A 18 -5.960 9.370 6.673 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -4.992 9.142 7.589 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.002 8.389 6.928 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.381 8.084 8.391 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.611 7.589 8.024 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.238 8.122 6.319 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.417 6.561 8.500 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.051 7.085 6.796 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.642 6.307 7.884 1.00 0.00 C ATOM 0 H TRP A 18 -3.679 9.856 4.658 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.389 8.876 4.182 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.094 11.110 5.800 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -6.837 11.018 5.645 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.068 9.694 7.680 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -4.823 7.715 9.161 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.564 8.718 5.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.097 5.964 9.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.000 6.885 6.320 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.274 5.510 8.247 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.254 10.491 2.489 1.00 0.00 N ATOM 1288 CA ARG A 19 -7.756 11.407 1.424 1.00 0.00 C ATOM 1289 C ARG A 19 -9.074 12.024 1.872 1.00 0.00 C ATOM 1290 O ARG A 19 -9.579 11.740 2.940 1.00 0.00 O ATOM 1291 CB ARG A 19 -7.982 10.617 0.123 1.00 0.00 C ATOM 1292 CG ARG A 19 -6.653 10.456 -0.647 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.285 11.771 -1.358 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.398 11.486 -2.534 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.269 10.838 -2.411 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.793 10.529 -1.236 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.587 10.542 -3.479 1.00 0.00 N ATOM 0 H ARG A 19 -7.821 9.655 2.632 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.021 12.192 1.247 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.397 9.636 0.353 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.711 11.133 -0.501 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.858 10.172 0.042 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.743 9.652 -1.378 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.190 12.281 -1.689 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.778 12.441 -0.663 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.685 11.808 -3.458 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.303 10.793 -0.393 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.911 10.023 -1.160 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.935 10.815 -4.398 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.705 10.037 -3.397 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.642 12.844 1.037 1.00 0.00 N ATOM 1312 CA ARG A 20 -10.947 13.478 1.351 1.00 0.00 C ATOM 1313 C ARG A 20 -11.853 13.274 0.137 1.00 0.00 C ATOM 1314 O ARG A 20 -11.410 13.364 -0.991 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.737 14.972 1.600 1.00 0.00 C ATOM 1316 CG ARG A 20 -11.985 15.568 2.284 1.00 0.00 C ATOM 1317 CD ARG A 20 -11.784 15.610 3.802 1.00 0.00 C ATOM 1318 NE ARG A 20 -11.007 16.832 4.144 1.00 0.00 N ATOM 1319 CZ ARG A 20 -10.918 17.228 5.379 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -11.456 16.520 6.333 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -10.283 18.331 5.663 1.00 0.00 N ATOM 0 H ARG A 20 -9.248 13.106 0.133 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.395 13.038 2.242 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.859 15.126 2.227 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.548 15.484 0.657 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.171 16.573 1.906 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.863 14.969 2.042 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.748 15.620 4.311 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.255 14.719 4.138 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.542 17.361 3.406 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.947 15.654 6.111 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.385 16.832 7.302 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.857 18.881 4.917 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.212 18.644 6.631 1.00 0.00 H new ATOM 1335 N SER A 21 -13.111 12.995 0.348 1.00 0.00 N ATOM 1336 CA SER A 21 -14.035 12.781 -0.811 1.00 0.00 C ATOM 1337 C SER A 21 -14.689 14.123 -1.190 1.00 0.00 C ATOM 1338 O SER A 21 -14.703 15.049 -0.405 1.00 0.00 O ATOM 1339 CB SER A 21 -15.083 11.726 -0.423 1.00 0.00 C ATOM 1340 OG SER A 21 -14.770 10.503 -1.075 1.00 0.00 O ATOM 0 H SER A 21 -13.541 12.905 1.269 1.00 0.00 H new ATOM 0 HA SER A 21 -13.489 12.416 -1.681 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.093 11.585 0.658 1.00 0.00 H new ATOM 0 HB3 SER A 21 -16.080 12.062 -0.710 1.00 0.00 H new ATOM 0 HG SER A 21 -15.567 9.933 -1.102 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.204 14.238 -2.396 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.838 15.512 -2.853 1.00 0.00 C ATOM 1348 C PRO A 22 -16.936 16.003 -1.895 1.00 0.00 C ATOM 1349 O PRO A 22 -17.300 17.163 -1.897 1.00 0.00 O ATOM 1350 CB PRO A 22 -16.421 15.115 -4.230 1.00 0.00 C ATOM 1351 CG PRO A 22 -16.221 13.599 -4.420 1.00 0.00 C ATOM 1352 CD PRO A 22 -15.198 13.123 -3.385 1.00 0.00 C ATOM 0 HA PRO A 22 -15.135 16.344 -2.894 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.480 15.368 -4.281 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -15.923 15.667 -5.027 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -17.166 13.071 -4.292 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -15.870 13.385 -5.429 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.489 12.176 -2.931 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.212 12.976 -3.826 1.00 0.00 H new ATOM 1360 N MET A 23 -17.468 15.131 -1.080 1.00 0.00 N ATOM 1361 CA MET A 23 -18.542 15.548 -0.128 1.00 0.00 C ATOM 1362 C MET A 23 -17.918 16.017 1.190 1.00 0.00 C ATOM 1363 O MET A 23 -18.594 16.537 2.055 1.00 0.00 O ATOM 1364 CB MET A 23 -19.468 14.358 0.148 1.00 0.00 C ATOM 1365 CG MET A 23 -20.298 14.035 -1.102 1.00 0.00 C ATOM 1366 SD MET A 23 -19.274 13.128 -2.289 1.00 0.00 S ATOM 1367 CE MET A 23 -20.018 13.793 -3.799 1.00 0.00 C ATOM 0 H MET A 23 -17.206 14.147 -1.032 1.00 0.00 H new ATOM 0 HA MET A 23 -19.112 16.366 -0.569 1.00 0.00 H new ATOM 0 HB2 MET A 23 -18.879 13.488 0.438 1.00 0.00 H new ATOM 0 HB3 MET A 23 -20.129 14.588 0.984 1.00 0.00 H new ATOM 0 HG2 MET A 23 -21.170 13.441 -0.829 1.00 0.00 H new ATOM 0 HG3 MET A 23 -20.668 14.955 -1.554 1.00 0.00 H new ATOM 0 HE1 MET A 23 -19.526 13.358 -4.669 1.00 0.00 H new ATOM 0 HE2 MET A 23 -21.079 13.546 -3.821 1.00 0.00 H new ATOM 0 HE3 MET A 23 -19.897 14.876 -3.818 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.638 15.824 1.361 1.00 0.00 N ATOM 1378 CA GLY A 24 -15.977 16.241 2.636 1.00 0.00 C ATOM 1379 C GLY A 24 -16.011 15.062 3.605 1.00 0.00 C ATOM 1380 O GLY A 24 -16.021 15.225 4.810 1.00 0.00 O ATOM 0 H GLY A 24 -16.019 15.395 0.673 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.948 16.547 2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.491 17.100 3.066 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.045 13.869 3.074 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.097 12.645 3.921 1.00 0.00 C ATOM 1386 C ASP A 25 -14.693 11.989 3.989 1.00 0.00 C ATOM 1387 O ASP A 25 -14.171 11.579 2.972 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.063 11.667 3.252 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.471 12.265 3.257 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.577 13.478 3.176 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.418 11.501 3.344 1.00 0.00 O ATOM 0 H ASP A 25 -16.039 13.690 2.070 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.420 12.898 4.931 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.745 11.466 2.229 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.058 10.714 3.781 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.074 11.869 5.155 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.724 11.226 5.234 1.00 0.00 C ATOM 1398 C PRO A 26 -12.703 9.850 4.546 1.00 0.00 C ATOM 1399 O PRO A 26 -13.570 9.027 4.770 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.509 11.103 6.756 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.527 12.022 7.453 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.644 12.346 6.451 1.00 0.00 C ATOM 0 HA PRO A 26 -11.944 11.794 4.726 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.644 10.070 7.078 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.492 11.390 7.022 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.938 11.533 8.336 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.043 12.938 7.792 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.572 11.831 6.699 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.868 13.412 6.426 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.714 9.593 3.721 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.638 8.261 3.032 1.00 0.00 C ATOM 1412 C VAL A 27 -10.197 7.755 2.986 1.00 0.00 C ATOM 1413 O VAL A 27 -9.254 8.515 3.088 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.183 8.368 1.598 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -13.715 8.346 1.623 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.688 9.670 0.957 1.00 0.00 C ATOM 0 H VAL A 27 -10.960 10.242 3.495 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.245 7.556 3.600 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.826 7.522 1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.097 8.422 0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.058 7.413 2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.081 9.187 2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.075 9.745 -0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.039 10.520 1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.598 9.672 0.932 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.020 6.468 2.793 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.649 5.908 2.691 1.00 0.00 C ATOM 1428 C CYS A 28 -8.170 6.118 1.248 1.00 0.00 C ATOM 1429 O CYS A 28 -8.966 6.253 0.340 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.648 4.415 3.094 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.481 3.375 1.859 1.00 0.00 S ATOM 0 H CYS A 28 -10.773 5.786 2.703 1.00 0.00 H new ATOM 0 HA CYS A 28 -7.966 6.413 3.374 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.620 4.075 3.221 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.143 4.300 4.058 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.434 2.700 2.431 1.00 0.00 H new ATOM 1436 N ASN A 29 -6.890 6.210 1.038 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.371 6.486 -0.339 1.00 0.00 C ATOM 1438 C ASN A 29 -7.022 5.589 -1.399 1.00 0.00 C ATOM 1439 O ASN A 29 -7.272 6.023 -2.506 1.00 0.00 O ATOM 1440 CB ASN A 29 -4.862 6.249 -0.367 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.328 6.573 -1.763 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.289 5.718 -2.625 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -3.909 7.781 -2.024 1.00 0.00 N ATOM 0 H ASN A 29 -6.175 6.107 1.758 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.614 7.522 -0.575 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.370 6.874 0.378 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.640 5.213 -0.111 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.549 8.007 -2.951 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.941 8.499 -1.301 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.283 4.354 -1.102 1.00 0.00 N ATOM 1451 CA ALA A 30 -7.891 3.472 -2.141 1.00 0.00 C ATOM 1452 C ALA A 30 -9.331 3.916 -2.489 1.00 0.00 C ATOM 1453 O ALA A 30 -9.676 4.049 -3.646 1.00 0.00 O ATOM 1454 CB ALA A 30 -7.891 2.037 -1.637 1.00 0.00 C ATOM 0 H ALA A 30 -7.107 3.915 -0.198 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.297 3.546 -3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.334 1.386 -2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.867 1.720 -1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.472 1.974 -0.717 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.183 4.120 -1.510 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.602 4.527 -1.818 1.00 0.00 C ATOM 1462 C CYS A 31 -11.642 5.830 -2.610 1.00 0.00 C ATOM 1463 O CYS A 31 -12.412 5.984 -3.522 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.383 4.771 -0.522 1.00 0.00 C ATOM 1465 SG CYS A 31 -12.815 3.208 0.254 1.00 0.00 S ATOM 0 H CYS A 31 -9.964 4.024 -0.518 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.044 3.716 -2.397 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.784 5.371 0.163 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.288 5.340 -0.737 1.00 0.00 H new ATOM 0 HG CYS A 31 -11.825 2.801 0.991 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.851 6.782 -2.246 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.906 8.078 -2.964 1.00 0.00 C ATOM 1472 C GLY A 32 -10.650 7.871 -4.453 1.00 0.00 C ATOM 1473 O GLY A 32 -11.353 8.394 -5.294 1.00 0.00 O ATOM 0 H GLY A 32 -10.171 6.726 -1.488 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.882 8.541 -2.817 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.163 8.761 -2.552 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.644 7.123 -4.785 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.333 6.894 -6.218 1.00 0.00 C ATOM 1479 C LEU A 33 -10.419 6.031 -6.864 1.00 0.00 C ATOM 1480 O LEU A 33 -10.976 6.379 -7.882 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.992 6.171 -6.305 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.907 7.029 -5.629 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.590 6.233 -5.522 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.685 8.327 -6.438 1.00 0.00 C ATOM 0 H LEU A 33 -9.021 6.658 -4.125 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.289 7.848 -6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.058 5.198 -5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.731 5.989 -7.347 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.236 7.292 -4.624 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.830 6.850 -5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.755 5.334 -4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.253 5.952 -6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.916 8.930 -5.955 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.366 8.075 -7.449 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.616 8.893 -6.481 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.734 4.909 -6.284 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.784 4.042 -6.885 1.00 0.00 C ATOM 1498 C TYR A 34 -13.102 4.809 -6.955 1.00 0.00 C ATOM 1499 O TYR A 34 -13.802 4.778 -7.947 1.00 0.00 O ATOM 1500 CB TYR A 34 -11.969 2.792 -6.026 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.053 1.932 -6.620 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.389 2.159 -6.275 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -12.723 0.910 -7.514 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.397 1.361 -6.827 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -13.730 0.112 -8.067 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.068 0.337 -7.723 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.064 -0.449 -8.266 1.00 0.00 O ATOM 0 H TYR A 34 -10.313 4.555 -5.425 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.479 3.751 -7.890 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.035 2.233 -5.972 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.231 3.074 -5.006 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.642 2.949 -5.584 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.690 0.736 -7.778 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.429 1.535 -6.562 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.475 -0.677 -8.759 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.666 -1.111 -8.869 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.449 5.493 -5.906 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.721 6.258 -5.901 1.00 0.00 C ATOM 1519 C TYR A 35 -14.662 7.365 -6.955 1.00 0.00 C ATOM 1520 O TYR A 35 -15.567 7.552 -7.721 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.933 6.883 -4.516 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.379 7.280 -4.359 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -17.303 6.365 -3.838 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -16.791 8.558 -4.731 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.645 6.733 -3.692 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.133 8.930 -4.586 1.00 0.00 C ATOM 1527 CZ TYR A 35 -19.062 8.018 -4.067 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.387 8.385 -3.933 1.00 0.00 O ATOM 0 H TYR A 35 -12.903 5.555 -5.047 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.548 5.586 -6.131 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.653 6.172 -3.738 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.290 7.755 -4.397 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.980 5.376 -3.549 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.076 9.261 -5.131 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -19.359 6.028 -3.291 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -18.453 9.921 -4.874 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.503 9.309 -4.238 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.610 8.117 -6.997 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.538 9.214 -8.003 1.00 0.00 C ATOM 1540 C LYS A 36 -13.635 8.649 -9.428 1.00 0.00 C ATOM 1541 O LYS A 36 -14.283 9.223 -10.281 1.00 0.00 O ATOM 1542 CB LYS A 36 -12.208 9.956 -7.817 1.00 0.00 C ATOM 1543 CG LYS A 36 -12.052 11.052 -8.874 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.751 11.822 -8.615 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.530 10.930 -8.905 1.00 0.00 C ATOM 1546 NZ LYS A 36 -8.360 11.788 -9.256 1.00 0.00 N ATOM 0 H LYS A 36 -12.798 8.027 -6.386 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.373 9.900 -7.858 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.166 10.395 -6.820 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.379 9.252 -7.890 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.036 10.612 -9.871 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.904 11.731 -8.839 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.717 12.712 -9.244 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.723 12.162 -7.580 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.298 10.318 -8.033 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.752 10.246 -9.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.535 11.186 -9.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.585 12.353 -10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.144 12.423 -8.461 1.00 0.00 H new ATOM 1560 N LEU A 37 -12.995 7.549 -9.706 1.00 0.00 N ATOM 1561 CA LEU A 37 -13.062 6.984 -11.090 1.00 0.00 C ATOM 1562 C LEU A 37 -14.460 6.421 -11.400 1.00 0.00 C ATOM 1563 O LEU A 37 -14.941 6.565 -12.506 1.00 0.00 O ATOM 1564 CB LEU A 37 -11.993 5.879 -11.249 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.669 6.477 -11.762 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.215 7.640 -10.871 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.589 5.392 -11.754 1.00 0.00 C ATOM 0 H LEU A 37 -12.431 7.017 -9.043 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.865 7.788 -11.799 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.828 5.384 -10.292 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.349 5.118 -11.944 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.826 6.850 -12.774 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.278 8.046 -11.252 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.977 8.420 -10.874 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.067 7.282 -9.852 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.650 5.811 -12.116 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.453 5.021 -10.738 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.894 4.570 -12.402 1.00 0.00 H new ATOM 1579 N HIS A 38 -15.103 5.758 -10.463 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.456 5.162 -10.752 1.00 0.00 C ATOM 1581 C HIS A 38 -17.558 5.790 -9.887 1.00 0.00 C ATOM 1582 O HIS A 38 -18.719 5.494 -10.073 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.398 3.657 -10.490 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.381 3.035 -11.404 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.732 2.499 -12.633 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -14.025 2.855 -11.290 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.611 2.025 -13.204 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.541 2.217 -12.428 1.00 0.00 N ATOM 0 H HIS A 38 -14.754 5.603 -9.517 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.702 5.364 -11.795 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -16.134 3.467 -9.450 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.377 3.209 -10.657 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.425 3.162 -10.446 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.579 1.547 -14.172 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -12.576 1.953 -12.627 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.232 6.662 -8.967 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.272 7.323 -8.111 1.00 0.00 C ATOM 1598 C GLN A 39 -19.377 6.337 -7.697 1.00 0.00 C ATOM 1599 O GLN A 39 -20.554 6.597 -7.828 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.816 8.552 -8.849 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.682 9.403 -7.913 1.00 0.00 C ATOM 1602 CD GLN A 39 -20.041 10.721 -8.598 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -19.778 10.904 -9.771 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -20.637 11.656 -7.909 1.00 0.00 N ATOM 0 H GLN A 39 -16.274 6.950 -8.767 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.819 7.657 -7.178 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -17.988 9.150 -9.231 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -19.404 8.235 -9.710 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -20.590 8.861 -7.649 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -19.146 9.599 -6.984 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -20.858 11.502 -6.925 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -20.882 12.540 -8.355 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.983 5.207 -7.164 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.959 4.189 -6.688 1.00 0.00 C ATOM 1615 C VAL A 40 -19.344 3.463 -5.488 1.00 0.00 C ATOM 1616 O VAL A 40 -18.140 3.387 -5.349 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.254 3.169 -7.784 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.156 3.787 -8.854 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -18.944 2.698 -8.411 1.00 0.00 C ATOM 0 H VAL A 40 -18.005 4.946 -7.038 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.891 4.684 -6.414 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.770 2.315 -7.346 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.359 3.049 -9.630 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.095 4.103 -8.400 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.658 4.650 -9.296 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.156 1.970 -9.194 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.420 3.551 -8.842 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.320 2.237 -7.646 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.157 2.923 -4.626 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.615 2.195 -3.437 1.00 0.00 C ATOM 1631 C ASN A 41 -19.326 0.738 -3.823 1.00 0.00 C ATOM 1632 O ASN A 41 -20.097 0.124 -4.533 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.651 2.227 -2.309 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.968 1.623 -2.809 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.036 0.448 -3.110 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -23.024 2.385 -2.910 1.00 0.00 N ATOM 0 H ASN A 41 -21.175 2.952 -4.690 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.695 2.673 -3.101 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.285 1.667 -1.448 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.812 3.253 -1.977 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.906 1.993 -3.242 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.967 3.372 -2.657 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.218 0.177 -3.372 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.874 -1.245 -3.726 1.00 0.00 C ATOM 1645 C ARG A 42 -17.789 -2.094 -2.435 1.00 0.00 C ATOM 1646 O ARG A 42 -17.447 -1.582 -1.388 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.510 -1.266 -4.434 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.558 -0.266 -3.757 1.00 0.00 C ATOM 1649 CD ARG A 42 -14.102 -0.629 -4.073 1.00 0.00 C ATOM 1650 NE ARG A 42 -13.188 0.298 -3.346 1.00 0.00 N ATOM 1651 CZ ARG A 42 -11.937 -0.024 -3.169 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -11.500 -1.189 -3.558 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -11.127 0.812 -2.583 1.00 0.00 N ATOM 0 H ARG A 42 -17.538 0.645 -2.773 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.642 -1.656 -4.381 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.086 -2.269 -4.396 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.632 -1.011 -5.487 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.773 0.745 -4.104 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.717 -0.273 -2.679 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.901 -1.659 -3.779 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.925 -0.564 -5.146 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.542 1.185 -2.987 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.137 -1.851 -4.002 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.521 -1.439 -3.419 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.472 1.717 -2.263 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.148 0.561 -2.444 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.092 -3.380 -2.496 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.024 -4.245 -1.276 1.00 0.00 C ATOM 1669 C PRO A 43 -16.632 -4.230 -0.612 1.00 0.00 C ATOM 1670 O PRO A 43 -15.619 -4.079 -1.264 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.384 -5.643 -1.828 1.00 0.00 C ATOM 1672 CG PRO A 43 -18.530 -5.541 -3.362 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.516 -4.056 -3.756 1.00 0.00 C ATOM 0 HA PRO A 43 -18.691 -3.906 -0.483 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -17.609 -6.364 -1.568 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -19.313 -5.999 -1.382 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -17.716 -6.072 -3.856 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -19.459 -6.010 -3.686 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -17.821 -3.861 -4.572 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.498 -3.716 -4.086 1.00 0.00 H new ATOM 1681 N LEU A 44 -16.594 -4.373 0.688 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.297 -4.356 1.431 1.00 0.00 C ATOM 1683 C LEU A 44 -14.481 -5.609 1.133 1.00 0.00 C ATOM 1684 O LEU A 44 -13.291 -5.647 1.361 1.00 0.00 O ATOM 1685 CB LEU A 44 -15.576 -4.285 2.941 1.00 0.00 C ATOM 1686 CG LEU A 44 -15.916 -2.846 3.332 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.288 -2.460 2.773 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -15.933 -2.712 4.857 1.00 0.00 C ATOM 0 H LEU A 44 -17.418 -4.503 1.275 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.727 -3.484 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -16.402 -4.948 3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -14.705 -4.628 3.499 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.159 -2.181 2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.521 -1.434 3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.274 -2.542 1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.047 -3.129 3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.176 -1.685 5.129 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -16.683 -3.385 5.273 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -14.952 -2.971 5.256 1.00 0.00 H new ATOM 1700 N THR A 45 -15.112 -6.641 0.658 1.00 0.00 N ATOM 1701 CA THR A 45 -14.374 -7.901 0.370 1.00 0.00 C ATOM 1702 C THR A 45 -13.054 -7.588 -0.345 1.00 0.00 C ATOM 1703 O THR A 45 -12.168 -8.416 -0.418 1.00 0.00 O ATOM 1704 CB THR A 45 -15.233 -8.791 -0.531 1.00 0.00 C ATOM 1705 OG1 THR A 45 -15.496 -8.109 -1.749 1.00 0.00 O ATOM 1706 CG2 THR A 45 -16.554 -9.111 0.170 1.00 0.00 C ATOM 0 H THR A 45 -16.111 -6.668 0.455 1.00 0.00 H new ATOM 0 HA THR A 45 -14.160 -8.412 1.309 1.00 0.00 H new ATOM 0 HB THR A 45 -14.702 -9.720 -0.738 1.00 0.00 H new ATOM 0 HG1 THR A 45 -16.045 -8.676 -2.330 1.00 0.00 H new ATOM 0 HG21 THR A 45 -17.163 -9.745 -0.474 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.352 -9.632 1.106 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.089 -8.185 0.378 1.00 0.00 H new ATOM 1714 N MET A 46 -12.918 -6.405 -0.890 1.00 0.00 N ATOM 1715 CA MET A 46 -11.653 -6.066 -1.613 1.00 0.00 C ATOM 1716 C MET A 46 -10.546 -5.672 -0.626 1.00 0.00 C ATOM 1717 O MET A 46 -9.393 -6.010 -0.805 1.00 0.00 O ATOM 1718 CB MET A 46 -11.914 -4.911 -2.578 1.00 0.00 C ATOM 1719 CG MET A 46 -10.677 -4.689 -3.451 1.00 0.00 C ATOM 1720 SD MET A 46 -11.115 -3.647 -4.863 1.00 0.00 S ATOM 1721 CE MET A 46 -9.433 -3.297 -5.432 1.00 0.00 C ATOM 0 H MET A 46 -13.620 -5.666 -0.867 1.00 0.00 H new ATOM 0 HA MET A 46 -11.323 -6.945 -2.166 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.779 -5.133 -3.203 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.148 -4.003 -2.022 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.887 -4.216 -2.868 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.287 -5.646 -3.798 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.473 -2.656 -6.313 1.00 0.00 H new ATOM 0 HE2 MET A 46 -8.879 -2.792 -4.641 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.933 -4.232 -5.686 1.00 0.00 H new ATOM 1731 N ARG A 47 -10.888 -4.950 0.402 1.00 0.00 N ATOM 1732 CA ARG A 47 -9.871 -4.507 1.401 1.00 0.00 C ATOM 1733 C ARG A 47 -9.487 -5.673 2.322 1.00 0.00 C ATOM 1734 O ARG A 47 -10.168 -6.676 2.398 1.00 0.00 O ATOM 1735 CB ARG A 47 -10.469 -3.358 2.240 1.00 0.00 C ATOM 1736 CG ARG A 47 -10.259 -1.975 1.540 1.00 0.00 C ATOM 1737 CD ARG A 47 -11.600 -1.255 1.323 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.209 -1.761 0.055 1.00 0.00 N ATOM 1739 CZ ARG A 47 -13.456 -1.507 -0.233 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -14.174 -0.765 0.561 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -13.980 -1.986 -1.330 1.00 0.00 N ATOM 0 H ARG A 47 -11.841 -4.643 0.597 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.975 -4.166 0.882 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.534 -3.533 2.393 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.003 -3.344 3.225 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.603 -1.352 2.148 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.762 -2.121 0.581 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.269 -1.438 2.164 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.447 -0.177 1.266 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.644 -2.311 -0.592 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -13.762 -0.380 1.411 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -15.149 -0.568 0.333 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.414 -2.557 -1.958 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -14.955 -1.789 -1.558 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.394 -5.526 3.032 1.00 0.00 N ATOM 1756 CA LYS A 48 -7.934 -6.592 3.975 1.00 0.00 C ATOM 1757 C LYS A 48 -7.544 -5.928 5.300 1.00 0.00 C ATOM 1758 O LYS A 48 -7.297 -4.740 5.355 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.724 -7.321 3.385 1.00 0.00 C ATOM 1760 CG LYS A 48 -7.144 -8.068 2.119 1.00 0.00 C ATOM 1761 CD LYS A 48 -5.936 -8.798 1.527 1.00 0.00 C ATOM 1762 CE LYS A 48 -6.367 -9.574 0.283 1.00 0.00 C ATOM 1763 NZ LYS A 48 -5.160 -10.059 -0.446 1.00 0.00 N ATOM 0 H LYS A 48 -7.794 -4.702 2.997 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.732 -7.317 4.139 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.934 -6.607 3.153 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.317 -8.021 4.115 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.934 -8.782 2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.551 -7.368 1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.156 -8.082 1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.512 -9.479 2.265 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.996 -10.418 0.568 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.965 -8.936 -0.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.454 -10.587 -1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.576 -9.247 -0.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.606 -10.682 0.176 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.509 -6.679 6.370 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.162 -6.091 7.699 1.00 0.00 C ATOM 1779 C ASP A 49 -5.992 -5.102 7.575 1.00 0.00 C ATOM 1780 O ASP A 49 -6.191 -3.906 7.491 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.789 -7.219 8.668 1.00 0.00 C ATOM 1782 CG ASP A 49 -8.018 -8.096 8.919 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -8.277 -8.966 8.103 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -8.687 -7.877 9.915 1.00 0.00 O ATOM 0 H ASP A 49 -7.707 -7.680 6.381 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.027 -5.547 8.078 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.979 -7.818 8.252 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.427 -6.802 9.608 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.779 -5.580 7.589 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.608 -4.651 7.504 1.00 0.00 C ATOM 1791 C GLY A 50 -3.517 -4.021 6.109 1.00 0.00 C ATOM 1792 O GLY A 50 -4.379 -4.204 5.274 1.00 0.00 O ATOM 0 H GLY A 50 -4.544 -6.570 7.655 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.703 -3.868 8.257 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.689 -5.195 7.724 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.467 -3.277 5.853 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.306 -2.636 4.520 1.00 0.00 C ATOM 1798 C ILE A 51 -1.625 -3.616 3.567 1.00 0.00 C ATOM 1799 O ILE A 51 -0.686 -4.301 3.919 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.451 -1.373 4.666 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.069 -0.476 5.760 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.387 -0.618 3.324 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.596 0.971 5.597 1.00 0.00 C ATOM 0 H ILE A 51 -1.715 -3.089 6.516 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.283 -2.365 4.120 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.435 -1.646 4.951 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.157 -0.518 5.702 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.788 -0.848 6.745 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.777 0.278 3.439 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.945 -1.263 2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.394 -0.334 3.018 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.041 1.589 6.376 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.510 1.010 5.679 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.900 1.345 4.619 1.00 0.00 H new ATOM 1815 N GLN A 52 -2.090 -3.669 2.355 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.477 -4.583 1.358 1.00 0.00 C ATOM 1817 C GLN A 52 -0.175 -3.946 0.867 1.00 0.00 C ATOM 1818 O GLN A 52 -0.046 -2.742 0.853 1.00 0.00 O ATOM 1819 CB GLN A 52 -2.449 -4.754 0.185 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.686 -5.512 0.659 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.683 -5.637 -0.496 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -5.592 -6.440 -0.443 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -4.554 -4.864 -1.543 1.00 0.00 N ATOM 0 H GLN A 52 -2.874 -3.115 2.009 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.269 -5.559 1.798 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.735 -3.779 -0.210 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.965 -5.297 -0.627 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.404 -6.502 1.018 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.147 -4.989 1.496 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.790 -4.189 -1.588 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.217 -4.936 -2.315 1.00 0.00 H new ATOM 1832 N THR A 53 0.809 -4.729 0.501 1.00 0.00 N ATOM 1833 CA THR A 53 2.103 -4.127 0.037 1.00 0.00 C ATOM 1834 C THR A 53 2.682 -4.919 -1.129 1.00 0.00 C ATOM 1835 O THR A 53 2.392 -6.083 -1.326 1.00 0.00 O ATOM 1836 CB THR A 53 3.109 -4.092 1.183 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.403 -3.820 0.663 1.00 0.00 O ATOM 1838 CG2 THR A 53 3.116 -5.431 1.911 1.00 0.00 C ATOM 0 H THR A 53 0.777 -5.748 0.502 1.00 0.00 H new ATOM 0 HA THR A 53 1.902 -3.109 -0.298 1.00 0.00 H new ATOM 0 HB THR A 53 2.827 -3.310 1.888 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.052 -3.795 1.397 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.837 -5.397 2.728 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.123 -5.632 2.312 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.393 -6.222 1.215 1.00 0.00 H new ATOM 1846 N ARG A 54 3.505 -4.268 -1.904 1.00 0.00 N ATOM 1847 CA ARG A 54 4.139 -4.928 -3.088 1.00 0.00 C ATOM 1848 C ARG A 54 5.586 -4.462 -3.212 1.00 0.00 C ATOM 1849 O ARG A 54 5.989 -3.484 -2.615 1.00 0.00 O ATOM 1850 CB ARG A 54 3.396 -4.532 -4.373 1.00 0.00 C ATOM 1851 CG ARG A 54 1.970 -5.100 -4.386 1.00 0.00 C ATOM 1852 CD ARG A 54 1.983 -6.576 -4.803 1.00 0.00 C ATOM 1853 NE ARG A 54 0.582 -7.034 -5.004 1.00 0.00 N ATOM 1854 CZ ARG A 54 0.341 -8.132 -5.667 1.00 0.00 C ATOM 1855 NH1 ARG A 54 1.328 -8.857 -6.115 1.00 0.00 N ATOM 1856 NH2 ARG A 54 -0.891 -8.506 -5.870 1.00 0.00 N ATOM 0 H ARG A 54 3.771 -3.293 -1.768 1.00 0.00 H new ATOM 0 HA ARG A 54 4.094 -6.009 -2.952 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.359 -3.446 -4.455 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.944 -4.898 -5.241 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.523 -4.999 -3.397 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.350 -4.527 -5.075 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.556 -6.703 -5.721 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.470 -7.179 -4.037 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.191 -6.489 -4.623 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.291 -8.566 -5.948 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.137 -9.715 -6.633 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.661 -7.941 -5.511 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.085 -9.363 -6.388 1.00 0.00 H new ATOM 1870 N ASN A 55 6.363 -5.145 -4.005 1.00 0.00 N ATOM 1871 CA ASN A 55 7.776 -4.727 -4.192 1.00 0.00 C ATOM 1872 C ASN A 55 7.776 -3.308 -4.761 1.00 0.00 C ATOM 1873 O ASN A 55 7.004 -2.983 -5.641 1.00 0.00 O ATOM 1874 CB ASN A 55 8.469 -5.679 -5.169 1.00 0.00 C ATOM 1875 CG ASN A 55 8.673 -7.042 -4.506 1.00 0.00 C ATOM 1876 OD1 ASN A 55 9.233 -7.130 -3.432 1.00 0.00 O ATOM 1877 ND2 ASN A 55 8.237 -8.117 -5.103 1.00 0.00 N ATOM 0 H ASN A 55 6.080 -5.973 -4.530 1.00 0.00 H new ATOM 0 HA ASN A 55 8.311 -4.753 -3.243 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.868 -5.790 -6.072 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.430 -5.265 -5.475 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.367 -9.030 -4.668 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.767 -8.044 -6.005 1.00 0.00 H new ATOM 1884 N ARG A 56 8.617 -2.455 -4.250 1.00 0.00 N ATOM 1885 CA ARG A 56 8.643 -1.049 -4.745 1.00 0.00 C ATOM 1886 C ARG A 56 9.009 -1.012 -6.227 1.00 0.00 C ATOM 1887 O ARG A 56 9.978 -1.605 -6.654 1.00 0.00 O ATOM 1888 CB ARG A 56 9.681 -0.248 -3.960 1.00 0.00 C ATOM 1889 CG ARG A 56 9.278 -0.200 -2.489 1.00 0.00 C ATOM 1890 CD ARG A 56 10.159 0.805 -1.750 1.00 0.00 C ATOM 1891 NE ARG A 56 9.912 0.703 -0.286 1.00 0.00 N ATOM 1892 CZ ARG A 56 10.771 1.210 0.553 1.00 0.00 C ATOM 1893 NH1 ARG A 56 11.846 1.800 0.106 1.00 0.00 N ATOM 1894 NH2 ARG A 56 10.556 1.125 1.837 1.00 0.00 N ATOM 0 H ARG A 56 9.288 -2.669 -3.512 1.00 0.00 H new ATOM 0 HA ARG A 56 7.652 -0.615 -4.608 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.665 -0.706 -4.064 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.756 0.763 -4.361 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.230 0.084 -2.398 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.381 -1.188 -2.041 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.210 0.611 -1.966 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.944 1.816 -2.096 1.00 0.00 H new ATOM 0 HE ARG A 56 9.073 0.238 0.060 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.013 1.864 -0.898 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.519 2.197 0.761 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.716 0.662 2.184 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.228 1.522 2.494 1.00 0.00 H new ATOM 1908 N LYS A 57 8.239 -0.314 -7.014 1.00 0.00 N ATOM 1909 CA LYS A 57 8.538 -0.231 -8.467 1.00 0.00 C ATOM 1910 C LYS A 57 9.911 0.403 -8.683 1.00 0.00 C ATOM 1911 O LYS A 57 10.599 0.756 -7.747 1.00 0.00 O ATOM 1912 CB LYS A 57 7.477 0.608 -9.154 1.00 0.00 C ATOM 1913 CG LYS A 57 7.425 1.984 -8.519 1.00 0.00 C ATOM 1914 CD LYS A 57 6.263 2.743 -9.142 1.00 0.00 C ATOM 1915 CE LYS A 57 6.273 4.198 -8.677 1.00 0.00 C ATOM 1916 NZ LYS A 57 5.297 4.979 -9.490 1.00 0.00 N ATOM 0 H LYS A 57 7.414 0.203 -6.711 1.00 0.00 H new ATOM 0 HA LYS A 57 8.540 -1.236 -8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.701 0.696 -10.217 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.505 0.122 -9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.292 1.902 -7.440 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.361 2.517 -8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.333 2.701 -10.229 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.320 2.271 -8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.013 4.256 -7.620 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.273 4.619 -8.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.300 5.971 -9.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.565 4.932 -10.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.345 4.580 -9.367 1.00 0.00 H new ATOM 1930 N VAL A 58 10.314 0.547 -9.916 1.00 0.00 N ATOM 1931 CA VAL A 58 11.639 1.153 -10.204 1.00 0.00 C ATOM 1932 C VAL A 58 11.730 2.515 -9.523 1.00 0.00 C ATOM 1933 O VAL A 58 10.727 3.124 -9.207 1.00 0.00 O ATOM 1934 CB VAL A 58 11.784 1.334 -11.712 1.00 0.00 C ATOM 1935 CG1 VAL A 58 11.820 -0.038 -12.386 1.00 0.00 C ATOM 1936 CG2 VAL A 58 10.596 2.138 -12.247 1.00 0.00 C ATOM 0 H VAL A 58 9.778 0.269 -10.738 1.00 0.00 H new ATOM 0 HA VAL A 58 12.431 0.505 -9.830 1.00 0.00 H new ATOM 0 HB VAL A 58 12.709 1.869 -11.928 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.924 0.089 -13.464 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.667 -0.609 -12.005 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.895 -0.573 -12.171 1.00 0.00 H new ATOM 0 HG21 VAL A 58 10.700 2.267 -13.324 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.670 1.605 -12.033 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.572 3.115 -11.765 1.00 0.00 H new