USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=18 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 7 CYS SG : rot 158:sc= 0.244 USER MOD Set 1.2: A 10 CYS SG : rot -52:sc= -2.66 USER MOD Set 1.3: A 28 CYS SG : rot -122:sc= 0.251 USER MOD Set 1.4: A 31 CYS SG : rot 150:sc= -0.691 USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= -0.131 USER MOD Set 2.2: A 29 ASN : amide:sc= -8.88! C(o=-9!,f=-12!) USER MOD Set 3.1: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 14 THR OG1 : rot 10:sc= 0.92 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 75:sc= 0.379 USER MOD Single : A 9 ASN : amide:sc= -2.56 X(o=-2.6,f=-2.7!) USER MOD Single : A 11 GLN : amide:sc= -3.36! C(o=-3.4!,f=-3.6!) USER MOD Single : A 13 SER OG : rot 180:sc= 0.00183 USER MOD Single : A 15 THR OG1 : rot -139:sc= 1.5 USER MOD Single : A 21 SER OG : rot 180:sc= -0.366 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) 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= -0.427 X(o=-0.43,f=-0.012) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 41 ASN : amide:sc= -0.749 K(o=-0.75,f=-2.5!) USER MOD Single : A 45 THR OG1 : rot -40:sc= 0.0791 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= -0.0141 (180deg=-0.313) USER MOD Single : A 52 GLN : amide:sc= -1.24! K(o=-1.2!,f=-0.044) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 57 LYS NZ :NH3+ -151:sc= -0.209 (180deg=-0.922) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -6.411 9.538 14.447 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.014 8.997 15.696 1.00 0.00 C ATOM 1070 C ALA A 3 -8.534 8.906 15.546 1.00 0.00 C ATOM 1071 O ALA A 3 -9.220 9.903 15.445 1.00 0.00 O ATOM 1072 CB ALA A 3 -6.666 9.914 16.870 1.00 0.00 C ATOM 0 HA ALA A 3 -6.616 8.000 15.883 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.108 9.518 17.784 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.583 9.966 16.983 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.059 10.913 16.680 1.00 0.00 H new ATOM 1078 N GLY A 4 -9.064 7.711 15.541 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.539 7.542 15.415 1.00 0.00 C ATOM 1080 C GLY A 4 -10.962 7.643 13.947 1.00 0.00 C ATOM 1081 O GLY A 4 -12.097 7.375 13.606 1.00 0.00 O ATOM 0 H GLY A 4 -8.535 6.842 15.619 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.837 6.575 15.821 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.051 8.305 16.001 1.00 0.00 H new ATOM 1085 N THR A 5 -10.078 8.048 13.076 1.00 0.00 N ATOM 1086 CA THR A 5 -10.474 8.179 11.644 1.00 0.00 C ATOM 1087 C THR A 5 -10.788 6.807 11.060 1.00 0.00 C ATOM 1088 O THR A 5 -9.936 5.946 10.969 1.00 0.00 O ATOM 1089 CB THR A 5 -9.341 8.807 10.841 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.832 9.928 11.547 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.869 9.261 9.473 1.00 0.00 C ATOM 0 H THR A 5 -9.111 8.291 13.289 1.00 0.00 H new ATOM 0 HA THR A 5 -11.358 8.814 11.589 1.00 0.00 H new ATOM 0 HB THR A 5 -8.548 8.074 10.696 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.102 10.334 11.034 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.057 9.710 8.900 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.263 8.401 8.931 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.662 9.995 9.615 1.00 0.00 H new ATOM 1099 N VAL A 6 -12.005 6.619 10.624 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.411 5.331 9.992 1.00 0.00 C ATOM 1101 C VAL A 6 -12.846 5.669 8.572 1.00 0.00 C ATOM 1102 O VAL A 6 -13.515 6.658 8.350 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.579 4.715 10.771 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -13.044 4.009 12.019 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.551 5.820 11.191 1.00 0.00 C ATOM 0 H VAL A 6 -12.747 7.316 10.681 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.594 4.610 9.992 1.00 0.00 H new ATOM 0 HB VAL A 6 -14.097 3.994 10.138 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.874 3.571 12.573 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.350 3.222 11.723 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.526 4.730 12.651 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.382 5.383 11.745 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.032 6.540 11.824 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.933 6.325 10.304 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.476 4.889 7.603 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.882 5.220 6.217 1.00 0.00 C ATOM 1117 C CYS A 7 -14.399 5.247 6.110 1.00 0.00 C ATOM 1118 O CYS A 7 -15.072 4.264 6.347 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.300 4.168 5.281 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.774 4.533 3.574 1.00 0.00 S ATOM 0 H CYS A 7 -11.915 4.044 7.709 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.507 6.205 5.941 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.214 4.150 5.370 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.659 3.178 5.564 1.00 0.00 H new ATOM 0 HG CYS A 7 -11.937 3.962 2.760 1.00 0.00 H new ATOM 1125 N SER A 8 -14.938 6.374 5.750 1.00 0.00 N ATOM 1126 CA SER A 8 -16.412 6.489 5.618 1.00 0.00 C ATOM 1127 C SER A 8 -16.929 5.501 4.574 1.00 0.00 C ATOM 1128 O SER A 8 -17.989 4.928 4.727 1.00 0.00 O ATOM 1129 CB SER A 8 -16.781 7.907 5.182 1.00 0.00 C ATOM 1130 OG SER A 8 -16.401 8.827 6.198 1.00 0.00 O ATOM 0 H SER A 8 -14.417 7.226 5.540 1.00 0.00 H new ATOM 0 HA SER A 8 -16.866 6.266 6.584 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.279 8.154 4.246 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.853 7.975 4.997 1.00 0.00 H new ATOM 0 HG SER A 8 -15.429 8.952 6.179 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.221 5.333 3.482 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.731 4.423 2.419 1.00 0.00 C ATOM 1138 C ASN A 9 -16.543 2.939 2.755 1.00 0.00 C ATOM 1139 O ASN A 9 -17.409 2.146 2.442 1.00 0.00 O ATOM 1140 CB ASN A 9 -16.001 4.731 1.111 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.459 6.089 0.580 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.474 6.607 1.001 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -15.759 6.685 -0.345 1.00 0.00 N ATOM 0 H ASN A 9 -15.326 5.781 3.286 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.803 4.600 2.331 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.924 4.738 1.276 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.206 3.953 0.376 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -16.064 7.586 -0.715 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.907 6.251 -0.699 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.434 2.522 3.348 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.264 1.049 3.628 1.00 0.00 C ATOM 1152 C CYS A 10 -14.865 0.787 5.083 1.00 0.00 C ATOM 1153 O CYS A 10 -14.527 -0.324 5.440 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.228 0.439 2.667 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.543 0.847 3.195 1.00 0.00 S ATOM 0 H CYS A 10 -14.662 3.120 3.642 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.229 0.569 3.463 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.351 -0.643 2.632 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.398 0.812 1.657 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.444 2.130 3.376 1.00 0.00 H new ATOM 1160 N GLN A 11 -14.939 1.775 5.935 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.620 1.573 7.382 1.00 0.00 C ATOM 1162 C GLN A 11 -13.188 1.083 7.616 1.00 0.00 C ATOM 1163 O GLN A 11 -12.790 0.886 8.747 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.613 0.579 7.996 1.00 0.00 C ATOM 1165 CG GLN A 11 -17.046 1.098 7.803 1.00 0.00 C ATOM 1166 CD GLN A 11 -17.527 0.780 6.384 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -17.543 -0.365 5.978 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -17.929 1.751 5.609 1.00 0.00 N ATOM 0 H GLN A 11 -15.210 2.727 5.688 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.707 2.546 7.866 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.503 -0.398 7.526 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.403 0.448 9.057 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -17.711 0.637 8.534 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.079 2.174 7.975 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -17.916 2.713 5.948 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -18.256 1.548 4.664 1.00 0.00 H new ATOM 1177 N THR A 12 -12.391 0.895 6.602 1.00 0.00 N ATOM 1178 CA THR A 12 -11.003 0.437 6.882 1.00 0.00 C ATOM 1179 C THR A 12 -10.322 1.498 7.756 1.00 0.00 C ATOM 1180 O THR A 12 -10.523 2.679 7.552 1.00 0.00 O ATOM 1181 CB THR A 12 -10.228 0.234 5.568 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.023 -0.468 5.839 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.891 1.575 4.911 1.00 0.00 C ATOM 0 H THR A 12 -12.630 1.033 5.620 1.00 0.00 H new ATOM 0 HA THR A 12 -11.019 -0.520 7.403 1.00 0.00 H new ATOM 0 HB THR A 12 -10.856 -0.337 4.884 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.527 -0.601 5.004 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.344 1.399 3.985 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.812 2.114 4.691 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.277 2.168 5.589 1.00 0.00 H new ATOM 1191 N SER A 13 -9.506 1.097 8.707 1.00 0.00 N ATOM 1192 CA SER A 13 -8.797 2.110 9.574 1.00 0.00 C ATOM 1193 C SER A 13 -7.334 2.157 9.149 1.00 0.00 C ATOM 1194 O SER A 13 -6.581 3.022 9.544 1.00 0.00 O ATOM 1195 CB SER A 13 -8.918 1.726 11.048 1.00 0.00 C ATOM 1196 OG SER A 13 -8.728 0.325 11.183 1.00 0.00 O ATOM 0 H SER A 13 -9.299 0.122 8.922 1.00 0.00 H new ATOM 0 HA SER A 13 -9.251 3.093 9.451 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.176 2.264 11.638 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.898 2.011 11.431 1.00 0.00 H new ATOM 0 HG SER A 13 -8.803 0.074 12.127 1.00 0.00 H new ATOM 1202 N THR A 14 -6.944 1.240 8.309 1.00 0.00 N ATOM 1203 CA THR A 14 -5.547 1.220 7.799 1.00 0.00 C ATOM 1204 C THR A 14 -5.561 1.862 6.419 1.00 0.00 C ATOM 1205 O THR A 14 -6.230 1.397 5.519 1.00 0.00 O ATOM 1206 CB THR A 14 -5.069 -0.227 7.687 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.866 -0.915 6.733 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.198 -0.904 9.049 1.00 0.00 C ATOM 0 H THR A 14 -7.542 0.495 7.950 1.00 0.00 H new ATOM 0 HA THR A 14 -4.878 1.759 8.470 1.00 0.00 H new ATOM 0 HB THR A 14 -4.027 -0.248 7.367 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.434 -0.273 6.258 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.858 -1.937 8.975 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.587 -0.372 9.779 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.241 -0.887 9.367 1.00 0.00 H new ATOM 1216 N THR A 15 -4.837 2.932 6.244 1.00 0.00 N ATOM 1217 CA THR A 15 -4.826 3.616 4.917 1.00 0.00 C ATOM 1218 C THR A 15 -3.436 4.155 4.637 1.00 0.00 C ATOM 1219 O THR A 15 -2.734 4.584 5.531 1.00 0.00 O ATOM 1220 CB THR A 15 -5.811 4.785 4.947 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.211 5.898 5.596 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.052 4.371 5.716 1.00 0.00 C ATOM 0 H THR A 15 -4.253 3.363 6.960 1.00 0.00 H new ATOM 0 HA THR A 15 -5.110 2.906 4.140 1.00 0.00 H new ATOM 0 HB THR A 15 -6.080 5.060 3.927 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.871 6.335 6.174 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.758 5.201 5.741 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.515 3.515 5.226 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.775 4.100 6.735 1.00 0.00 H new ATOM 1230 N THR A 16 -3.033 4.163 3.402 1.00 0.00 N ATOM 1231 CA THR A 16 -1.693 4.702 3.087 1.00 0.00 C ATOM 1232 C THR A 16 -1.789 6.225 3.123 1.00 0.00 C ATOM 1233 O THR A 16 -0.920 6.902 3.633 1.00 0.00 O ATOM 1234 CB THR A 16 -1.242 4.255 1.700 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.835 5.093 0.717 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.660 2.808 1.444 1.00 0.00 C ATOM 0 H THR A 16 -3.570 3.822 2.605 1.00 0.00 H new ATOM 0 HA THR A 16 -0.967 4.335 3.812 1.00 0.00 H new ATOM 0 HB THR A 16 -0.156 4.326 1.645 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.545 4.808 -0.174 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.331 2.505 0.450 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.203 2.160 2.191 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.745 2.726 1.507 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.865 6.772 2.602 1.00 0.00 N ATOM 1245 CA LEU A 17 -3.040 8.258 2.629 1.00 0.00 C ATOM 1246 C LEU A 17 -4.536 8.560 2.831 1.00 0.00 C ATOM 1247 O LEU A 17 -5.384 8.054 2.120 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.528 8.873 1.304 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.907 10.258 1.554 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.642 10.130 2.454 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.548 10.905 0.193 1.00 0.00 C ATOM 0 H LEU A 17 -3.625 6.254 2.162 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.465 8.697 3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.788 8.213 0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.351 8.960 0.595 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.625 10.892 2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.214 11.118 2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.919 9.687 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.093 9.495 1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.107 11.887 0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.833 10.272 -0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.451 11.011 -0.409 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.871 9.379 3.791 1.00 0.00 N ATOM 1264 CA TRP A 18 -6.303 9.712 4.039 1.00 0.00 C ATOM 1265 C TRP A 18 -6.767 10.773 3.028 1.00 0.00 C ATOM 1266 O TRP A 18 -6.110 11.775 2.832 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.429 10.282 5.456 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.320 9.174 6.462 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.246 8.942 7.257 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.300 8.145 6.798 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.508 7.839 8.051 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.757 7.317 7.811 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.594 7.850 6.332 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.469 6.240 8.341 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.311 6.764 6.864 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.749 5.963 7.865 1.00 0.00 C ATOM 0 H TRP A 18 -4.209 9.835 4.419 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.917 8.818 3.932 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.648 11.022 5.631 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.385 10.794 5.568 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.336 9.523 7.269 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -4.852 7.459 8.733 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.039 8.461 5.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.031 5.626 9.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.303 6.546 6.497 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.307 5.131 8.268 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.886 10.555 2.375 1.00 0.00 N ATOM 1288 CA ARG A 19 -8.390 11.543 1.360 1.00 0.00 C ATOM 1289 C ARG A 19 -9.720 12.145 1.833 1.00 0.00 C ATOM 1290 O ARG A 19 -10.690 11.441 1.995 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.653 10.811 0.024 1.00 0.00 C ATOM 1292 CG ARG A 19 -7.558 9.784 -0.255 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.223 10.488 -0.465 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.299 9.562 -1.182 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.180 10.001 -1.692 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.833 11.248 -1.550 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.397 9.186 -2.340 1.00 0.00 N ATOM 0 H ARG A 19 -8.476 9.732 2.501 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.644 12.328 1.233 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.623 10.315 0.061 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.696 11.534 -0.790 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.483 9.085 0.578 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.813 9.200 -1.139 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.365 11.402 -1.042 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.795 10.780 0.494 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.544 8.576 -1.275 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.437 11.890 -1.037 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.957 11.583 -1.952 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.658 8.206 -2.449 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.523 9.528 -2.739 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.809 13.428 2.034 1.00 0.00 N ATOM 1312 CA ARG A 20 -11.124 13.989 2.457 1.00 0.00 C ATOM 1313 C ARG A 20 -12.066 13.865 1.251 1.00 0.00 C ATOM 1314 O ARG A 20 -11.653 14.035 0.121 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.952 15.457 2.860 1.00 0.00 C ATOM 1316 CG ARG A 20 -12.262 16.009 3.440 1.00 0.00 C ATOM 1317 CD ARG A 20 -12.585 15.354 4.792 1.00 0.00 C ATOM 1318 NE ARG A 20 -13.451 16.289 5.588 1.00 0.00 N ATOM 1319 CZ ARG A 20 -13.017 17.459 5.969 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -11.757 17.768 5.823 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -13.832 18.307 6.532 1.00 0.00 N ATOM 0 H ARG A 20 -9.050 14.101 1.928 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.530 13.455 3.316 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.154 15.547 3.597 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.654 16.046 1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.182 17.089 3.565 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.078 15.829 2.740 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.097 14.404 4.638 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.665 15.136 5.335 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.398 16.003 5.836 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.111 17.095 5.411 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.418 18.683 6.121 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.810 18.056 6.675 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.491 19.221 6.829 1.00 0.00 H new ATOM 1335 N SER A 21 -13.320 13.550 1.467 1.00 0.00 N ATOM 1336 CA SER A 21 -14.266 13.392 0.307 1.00 0.00 C ATOM 1337 C SER A 21 -14.975 14.725 0.005 1.00 0.00 C ATOM 1338 O SER A 21 -15.049 15.591 0.848 1.00 0.00 O ATOM 1339 CB SER A 21 -15.297 12.303 0.646 1.00 0.00 C ATOM 1340 OG SER A 21 -16.587 12.696 0.190 1.00 0.00 O ATOM 0 H SER A 21 -13.731 13.395 2.387 1.00 0.00 H new ATOM 0 HA SER A 21 -13.705 13.099 -0.580 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.009 11.360 0.181 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.319 12.133 1.723 1.00 0.00 H new ATOM 0 HG SER A 21 -17.238 11.997 0.408 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.499 14.886 -1.198 1.00 0.00 N ATOM 1347 CA PRO A 22 -16.221 16.137 -1.578 1.00 0.00 C ATOM 1348 C PRO A 22 -17.314 16.515 -0.564 1.00 0.00 C ATOM 1349 O PRO A 22 -17.696 17.664 -0.449 1.00 0.00 O ATOM 1350 CB PRO A 22 -16.838 15.760 -2.947 1.00 0.00 C ATOM 1351 CG PRO A 22 -16.486 14.289 -3.249 1.00 0.00 C ATOM 1352 CD PRO A 22 -15.399 13.850 -2.267 1.00 0.00 C ATOM 0 HA PRO A 22 -15.568 17.009 -1.609 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.919 15.895 -2.926 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -16.451 16.412 -3.730 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -17.369 13.658 -3.147 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -16.136 14.184 -4.276 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.581 12.847 -1.880 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.413 13.838 -2.731 1.00 0.00 H new ATOM 1360 N MET A 23 -17.811 15.556 0.177 1.00 0.00 N ATOM 1361 CA MET A 23 -18.867 15.850 1.192 1.00 0.00 C ATOM 1362 C MET A 23 -18.203 16.086 2.553 1.00 0.00 C ATOM 1363 O MET A 23 -18.824 16.550 3.489 1.00 0.00 O ATOM 1364 CB MET A 23 -19.819 14.654 1.299 1.00 0.00 C ATOM 1365 CG MET A 23 -20.663 14.543 0.024 1.00 0.00 C ATOM 1366 SD MET A 23 -21.779 13.123 0.174 1.00 0.00 S ATOM 1367 CE MET A 23 -22.671 13.353 -1.383 1.00 0.00 C ATOM 0 H MET A 23 -17.529 14.577 0.121 1.00 0.00 H new ATOM 0 HA MET A 23 -19.426 16.737 0.892 1.00 0.00 H new ATOM 0 HB2 MET A 23 -19.249 13.737 1.449 1.00 0.00 H new ATOM 0 HB3 MET A 23 -20.469 14.772 2.166 1.00 0.00 H new ATOM 0 HG2 MET A 23 -21.236 15.457 -0.128 1.00 0.00 H new ATOM 0 HG3 MET A 23 -20.017 14.423 -0.846 1.00 0.00 H new ATOM 0 HE1 MET A 23 -23.421 12.569 -1.492 1.00 0.00 H new ATOM 0 HE2 MET A 23 -23.161 14.327 -1.381 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.969 13.302 -2.215 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.939 15.770 2.662 1.00 0.00 N ATOM 1378 CA GLY A 24 -16.209 15.966 3.951 1.00 0.00 C ATOM 1379 C GLY A 24 -16.265 14.680 4.782 1.00 0.00 C ATOM 1380 O GLY A 24 -16.301 14.720 5.996 1.00 0.00 O ATOM 0 H GLY A 24 -16.376 15.381 1.906 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.172 16.237 3.754 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.654 16.790 4.509 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.273 13.538 4.142 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.329 12.237 4.880 1.00 0.00 C ATOM 1386 C ASP A 25 -14.967 11.510 4.745 1.00 0.00 C ATOM 1387 O ASP A 25 -14.620 11.070 3.668 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.413 11.379 4.228 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.778 12.029 4.471 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -19.325 11.825 5.542 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.249 12.722 3.585 1.00 0.00 O ATOM 0 H ASP A 25 -16.243 13.450 3.126 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.546 12.406 5.935 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -17.226 11.285 3.158 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.396 10.372 4.644 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.182 11.380 5.804 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.854 10.696 5.694 1.00 0.00 C ATOM 1398 C PRO A 26 -12.918 9.332 4.979 1.00 0.00 C ATOM 1399 O PRO A 26 -13.712 8.474 5.317 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.446 10.545 7.172 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.286 11.539 7.987 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.535 11.887 7.165 1.00 0.00 C ATOM 0 HA PRO A 26 -12.145 11.258 5.086 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.619 9.525 7.515 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.383 10.748 7.299 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.569 11.103 8.945 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.709 12.438 8.204 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.428 11.402 7.559 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.731 12.959 7.160 1.00 0.00 H new ATOM 1410 N VAL A 27 -12.052 9.130 4.014 1.00 0.00 N ATOM 1411 CA VAL A 27 -12.008 7.819 3.274 1.00 0.00 C ATOM 1412 C VAL A 27 -10.554 7.354 3.134 1.00 0.00 C ATOM 1413 O VAL A 27 -9.632 8.133 3.268 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.635 7.952 1.888 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -14.159 8.045 2.020 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -12.071 9.197 1.206 1.00 0.00 C ATOM 0 H VAL A 27 -11.368 9.819 3.702 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.579 7.085 3.843 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.397 7.078 1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.605 8.140 1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.538 7.145 2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.420 8.917 2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.513 9.301 0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.308 10.078 1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.989 9.102 1.113 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.333 6.087 2.865 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.935 5.585 2.721 1.00 0.00 C ATOM 1428 C CYS A 28 -8.410 5.860 1.298 1.00 0.00 C ATOM 1429 O CYS A 28 -9.167 6.079 0.375 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.882 4.083 3.066 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.712 3.060 1.813 1.00 0.00 S ATOM 0 H CYS A 28 -11.061 5.384 2.740 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.286 6.116 3.418 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.842 3.770 3.158 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.351 3.918 4.036 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.659 2.369 2.375 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.110 5.898 1.138 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.498 6.211 -0.198 1.00 0.00 C ATOM 1438 C ASN A 29 -7.127 5.377 -1.321 1.00 0.00 C ATOM 1439 O ASN A 29 -7.251 5.839 -2.438 1.00 0.00 O ATOM 1440 CB ASN A 29 -4.992 5.906 -0.135 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.324 6.269 -1.464 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.922 6.147 -2.510 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -3.096 6.715 -1.465 1.00 0.00 N ATOM 0 H ASN A 29 -6.436 5.724 1.883 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.677 7.264 -0.417 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.533 6.470 0.677 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.836 4.849 0.082 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.643 6.960 -2.346 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.590 6.819 -0.585 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.518 4.166 -1.064 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.118 3.353 -2.161 1.00 0.00 C ATOM 1452 C ALA A 30 -9.538 3.839 -2.494 1.00 0.00 C ATOM 1453 O ALA A 30 -9.858 4.096 -3.637 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.164 1.893 -1.740 1.00 0.00 C ATOM 0 H ALA A 30 -7.452 3.705 -0.157 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.500 3.464 -3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.602 1.297 -2.541 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.153 1.541 -1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.770 1.793 -0.840 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.395 3.957 -1.511 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.795 4.412 -1.789 1.00 0.00 C ATOM 1462 C CYS A 31 -11.781 5.767 -2.485 1.00 0.00 C ATOM 1463 O CYS A 31 -12.486 5.995 -3.436 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.562 4.583 -0.474 1.00 0.00 C ATOM 1465 SG CYS A 31 -13.039 2.984 0.202 1.00 0.00 S ATOM 0 H CYS A 31 -10.189 3.759 -0.532 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.271 3.662 -2.420 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.943 5.117 0.246 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.451 5.191 -0.643 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.080 3.056 1.499 1.00 0.00 H new ATOM 1470 N GLY A 32 -11.005 6.678 -1.996 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.988 8.029 -2.610 1.00 0.00 C ATOM 1472 C GLY A 32 -10.717 7.933 -4.110 1.00 0.00 C ATOM 1473 O GLY A 32 -11.415 8.520 -4.913 1.00 0.00 O ATOM 0 H GLY A 32 -10.381 6.551 -1.199 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.943 8.525 -2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.221 8.641 -2.135 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.703 7.219 -4.495 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.381 7.109 -5.943 1.00 0.00 C ATOM 1479 C LEU A 33 -10.439 6.278 -6.673 1.00 0.00 C ATOM 1480 O LEU A 33 -10.933 6.668 -7.710 1.00 0.00 O ATOM 1481 CB LEU A 33 -8.020 6.436 -6.096 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.952 7.235 -5.335 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.698 6.372 -5.167 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.593 8.515 -6.107 1.00 0.00 C ATOM 0 H LEU A 33 -9.081 6.705 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.364 8.108 -6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.064 5.416 -5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.754 6.370 -7.151 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.345 7.512 -4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.938 6.936 -4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.948 5.472 -4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.314 6.093 -6.148 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.835 9.072 -5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.205 8.250 -7.091 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.484 9.132 -6.222 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.795 5.139 -6.154 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.819 4.305 -6.847 1.00 0.00 C ATOM 1498 C TYR A 34 -13.119 5.087 -6.957 1.00 0.00 C ATOM 1499 O TYR A 34 -13.782 5.082 -7.975 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.080 3.037 -6.032 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.173 2.224 -6.684 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.515 2.509 -6.411 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -12.843 1.183 -7.556 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.526 1.753 -7.012 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -13.855 0.426 -8.159 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.198 0.711 -7.887 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.197 -0.035 -8.480 1.00 0.00 O ATOM 0 H TYR A 34 -10.426 4.749 -5.287 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.455 4.043 -7.840 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.167 2.445 -5.961 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.369 3.301 -5.015 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.770 3.313 -5.736 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.807 0.962 -7.765 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.562 1.973 -6.801 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.599 -0.378 -8.834 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.796 -0.717 -9.059 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.498 5.738 -5.902 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.767 6.502 -5.908 1.00 0.00 C ATOM 1519 C TYR A 35 -14.705 7.668 -6.903 1.00 0.00 C ATOM 1520 O TYR A 35 -15.609 7.897 -7.658 1.00 0.00 O ATOM 1521 CB TYR A 35 -15.023 7.052 -4.501 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.487 7.353 -4.358 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.975 8.597 -4.745 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.355 6.377 -3.859 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.340 8.879 -4.634 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.720 6.649 -3.743 1.00 0.00 C ATOM 1527 CZ TYR A 35 -19.216 7.903 -4.132 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.564 8.176 -4.020 1.00 0.00 O ATOM 0 H TYR A 35 -12.977 5.774 -5.026 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.574 5.835 -6.211 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.712 6.326 -3.750 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.434 7.954 -4.336 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.299 9.345 -5.131 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.970 5.412 -3.563 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.720 9.845 -4.934 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.391 5.897 -3.355 1.00 0.00 H new ATOM 0 HH TYR A 35 -21.027 7.393 -3.656 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.662 8.426 -6.894 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.595 9.592 -7.823 1.00 0.00 C ATOM 1540 C LYS A 36 -13.718 9.143 -9.285 1.00 0.00 C ATOM 1541 O LYS A 36 -14.401 9.766 -10.072 1.00 0.00 O ATOM 1542 CB LYS A 36 -12.241 10.271 -7.621 1.00 0.00 C ATOM 1543 CG LYS A 36 -12.098 11.481 -8.545 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.761 12.182 -8.263 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.596 11.403 -8.895 1.00 0.00 C ATOM 1546 NZ LYS A 36 -8.384 12.269 -8.905 1.00 0.00 N ATOM 0 H LYS A 36 -12.850 8.299 -6.290 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.418 10.273 -7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.138 10.586 -6.583 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.439 9.560 -7.819 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.143 11.164 -9.587 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.925 12.173 -8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.785 13.196 -8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.608 12.265 -7.187 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.403 10.491 -8.330 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.852 11.101 -9.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.590 11.750 -9.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.575 13.127 -9.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.140 12.536 -7.930 1.00 0.00 H new ATOM 1560 N LEU A 37 -13.054 8.095 -9.663 1.00 0.00 N ATOM 1561 CA LEU A 37 -13.126 7.644 -11.084 1.00 0.00 C ATOM 1562 C LEU A 37 -14.508 7.067 -11.431 1.00 0.00 C ATOM 1563 O LEU A 37 -15.005 7.281 -12.519 1.00 0.00 O ATOM 1564 CB LEU A 37 -12.051 6.566 -11.312 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.720 7.214 -11.708 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.286 8.220 -10.641 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.658 6.123 -11.838 1.00 0.00 C ATOM 0 H LEU A 37 -12.463 7.528 -9.055 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.956 8.506 -11.729 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.920 5.976 -10.405 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.375 5.880 -12.094 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.840 7.736 -12.657 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.339 8.674 -10.933 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.045 8.996 -10.542 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.164 7.708 -9.687 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.706 6.573 -12.120 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.547 5.608 -10.884 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.962 5.409 -12.603 1.00 0.00 H new ATOM 1579 N HIS A 38 -15.112 6.304 -10.549 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.439 5.678 -10.876 1.00 0.00 C ATOM 1581 C HIS A 38 -17.548 6.164 -9.932 1.00 0.00 C ATOM 1582 O HIS A 38 -18.669 5.718 -10.030 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.290 4.159 -10.757 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.149 3.709 -11.628 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.338 3.221 -12.913 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -13.794 3.676 -11.411 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.125 2.919 -13.414 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.149 3.177 -12.539 1.00 0.00 N ATOM 0 H HIS A 38 -14.748 6.087 -9.621 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.725 5.966 -11.887 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -16.105 3.879 -9.720 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.213 3.665 -11.061 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.302 3.990 -10.502 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -13.961 2.517 -14.403 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -12.147 3.038 -12.669 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.264 7.083 -9.042 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.301 7.626 -8.098 1.00 0.00 C ATOM 1598 C GLN A 39 -19.365 6.590 -7.706 1.00 0.00 C ATOM 1599 O GLN A 39 -20.540 6.889 -7.625 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.926 8.882 -8.711 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.720 8.529 -9.978 1.00 0.00 C ATOM 1602 CD GLN A 39 -20.443 9.778 -10.480 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -20.357 10.828 -9.874 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -21.157 9.712 -11.571 1.00 0.00 N ATOM 0 H GLN A 39 -16.337 7.491 -8.925 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.804 7.886 -7.164 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -19.584 9.359 -7.984 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -18.144 9.602 -8.954 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -19.049 8.148 -10.748 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -20.440 7.739 -9.763 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.230 8.831 -12.080 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.642 10.541 -11.914 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.953 5.383 -7.412 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.911 4.326 -6.976 1.00 0.00 C ATOM 1615 C VAL A 40 -19.274 3.520 -5.842 1.00 0.00 C ATOM 1616 O VAL A 40 -18.068 3.428 -5.736 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.218 3.376 -8.135 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.074 4.079 -9.199 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -18.906 2.881 -8.755 1.00 0.00 C ATOM 0 H VAL A 40 -17.979 5.083 -7.457 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.835 4.799 -6.643 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.780 2.524 -7.752 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.281 3.387 -10.015 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.013 4.406 -8.753 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.536 4.944 -9.586 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.126 2.204 -9.581 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.335 3.732 -9.126 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.323 2.354 -8.000 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.074 2.920 -5.002 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.505 2.101 -3.886 1.00 0.00 C ATOM 1631 C ASN A 41 -19.227 0.688 -4.417 1.00 0.00 C ATOM 1632 O ASN A 41 -19.894 0.232 -5.325 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.505 2.033 -2.726 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.814 1.402 -3.201 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -21.859 0.229 -3.514 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.894 2.132 -3.258 1.00 0.00 N ATOM 0 H ASN A 41 -21.093 2.959 -5.037 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.582 2.554 -3.523 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.086 1.448 -1.907 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.694 3.034 -2.338 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.774 1.718 -3.565 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.858 3.117 -2.996 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.239 -0.007 -3.885 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.916 -1.387 -4.391 1.00 0.00 C ATOM 1645 C ARG A 42 -17.712 -2.355 -3.193 1.00 0.00 C ATOM 1646 O ARG A 42 -17.295 -1.940 -2.135 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.632 -1.307 -5.251 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.380 -1.031 -4.393 1.00 0.00 C ATOM 1649 CD ARG A 42 -15.501 0.311 -3.649 1.00 0.00 C ATOM 1650 NE ARG A 42 -16.111 0.077 -2.313 1.00 0.00 N ATOM 1651 CZ ARG A 42 -16.020 0.983 -1.383 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -15.357 2.082 -1.605 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -16.586 0.782 -0.224 1.00 0.00 N ATOM 0 H ARG A 42 -17.645 0.322 -3.124 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.738 -1.767 -4.998 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.500 -2.243 -5.794 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.743 -0.519 -5.996 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.244 -1.838 -3.673 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.495 -1.019 -5.029 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.518 0.769 -3.538 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -16.113 1.006 -4.225 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.603 -0.797 -2.125 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.908 2.233 -2.508 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.286 2.791 -0.875 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.098 -0.083 -0.049 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.517 1.490 0.507 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.004 -3.637 -3.341 1.00 0.00 N ATOM 1668 CA PRO A 43 -17.822 -4.607 -2.214 1.00 0.00 C ATOM 1669 C PRO A 43 -16.467 -4.470 -1.491 1.00 0.00 C ATOM 1670 O PRO A 43 -15.485 -4.035 -2.058 1.00 0.00 O ATOM 1671 CB PRO A 43 -17.942 -5.969 -2.921 1.00 0.00 C ATOM 1672 CG PRO A 43 -18.539 -5.735 -4.322 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.535 -4.221 -4.612 1.00 0.00 C ATOM 0 HA PRO A 43 -18.550 -4.448 -1.418 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -16.964 -6.444 -2.999 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -18.578 -6.641 -2.345 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -17.956 -6.266 -5.075 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -19.555 -6.127 -4.370 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -17.902 -3.975 -5.465 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.535 -3.851 -4.840 1.00 0.00 H new ATOM 1681 N LEU A 44 -16.423 -4.847 -0.236 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.152 -4.760 0.546 1.00 0.00 C ATOM 1683 C LEU A 44 -14.217 -5.899 0.125 1.00 0.00 C ATOM 1684 O LEU A 44 -13.443 -6.404 0.915 1.00 0.00 O ATOM 1685 CB LEU A 44 -15.474 -4.881 2.048 1.00 0.00 C ATOM 1686 CG LEU A 44 -15.879 -3.513 2.605 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.175 -3.052 1.941 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.089 -3.619 4.117 1.00 0.00 C ATOM 0 H LEU A 44 -17.220 -5.214 0.283 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.664 -3.804 0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -16.280 -5.598 2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -14.605 -5.260 2.586 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.090 -2.790 2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.461 -2.078 2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.024 -2.974 0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -17.965 -3.774 2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.377 -2.645 4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -16.877 -4.343 4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.163 -3.944 4.591 1.00 0.00 H new ATOM 1700 N THR A 45 -14.282 -6.309 -1.110 1.00 0.00 N ATOM 1701 CA THR A 45 -13.398 -7.417 -1.573 1.00 0.00 C ATOM 1702 C THR A 45 -11.931 -6.965 -1.561 1.00 0.00 C ATOM 1703 O THR A 45 -11.030 -7.772 -1.680 1.00 0.00 O ATOM 1704 CB THR A 45 -13.802 -7.838 -2.994 1.00 0.00 C ATOM 1705 OG1 THR A 45 -13.151 -9.058 -3.321 1.00 0.00 O ATOM 1706 CG2 THR A 45 -13.401 -6.756 -4.007 1.00 0.00 C ATOM 0 H THR A 45 -14.908 -5.926 -1.819 1.00 0.00 H new ATOM 0 HA THR A 45 -13.509 -8.266 -0.898 1.00 0.00 H new ATOM 0 HB THR A 45 -14.883 -7.970 -3.033 1.00 0.00 H new ATOM 0 HG1 THR A 45 -12.231 -9.038 -2.985 1.00 0.00 H new ATOM 0 HG21 THR A 45 -13.694 -7.069 -5.009 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.902 -5.821 -3.758 1.00 0.00 H new ATOM 0 HG23 THR A 45 -12.321 -6.609 -3.974 1.00 0.00 H new ATOM 1714 N MET A 46 -11.677 -5.687 -1.414 1.00 0.00 N ATOM 1715 CA MET A 46 -10.259 -5.195 -1.390 1.00 0.00 C ATOM 1716 C MET A 46 -9.799 -4.972 0.054 1.00 0.00 C ATOM 1717 O MET A 46 -8.621 -4.857 0.326 1.00 0.00 O ATOM 1718 CB MET A 46 -10.163 -3.857 -2.133 1.00 0.00 C ATOM 1719 CG MET A 46 -10.358 -4.062 -3.637 1.00 0.00 C ATOM 1720 SD MET A 46 -10.448 -2.439 -4.442 1.00 0.00 S ATOM 1721 CE MET A 46 -10.166 -2.977 -6.149 1.00 0.00 C ATOM 0 H MET A 46 -12.388 -4.963 -1.310 1.00 0.00 H new ATOM 0 HA MET A 46 -9.628 -5.944 -1.869 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.918 -3.169 -1.753 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.192 -3.399 -1.946 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.532 -4.642 -4.049 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.270 -4.628 -3.826 1.00 0.00 H new ATOM 0 HE1 MET A 46 -10.184 -2.111 -6.811 1.00 0.00 H new ATOM 0 HE2 MET A 46 -9.195 -3.468 -6.220 1.00 0.00 H new ATOM 0 HE3 MET A 46 -10.949 -3.676 -6.444 1.00 0.00 H new ATOM 1731 N ARG A 47 -10.716 -4.879 0.978 1.00 0.00 N ATOM 1732 CA ARG A 47 -10.324 -4.625 2.398 1.00 0.00 C ATOM 1733 C ARG A 47 -9.880 -5.922 3.096 1.00 0.00 C ATOM 1734 O ARG A 47 -10.569 -6.922 3.084 1.00 0.00 O ATOM 1735 CB ARG A 47 -11.528 -3.998 3.140 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.428 -2.465 3.124 1.00 0.00 C ATOM 1737 CD ARG A 47 -11.530 -1.937 1.690 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.922 -2.083 1.184 1.00 0.00 N ATOM 1739 CZ ARG A 47 -13.313 -1.382 0.154 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -12.486 -0.545 -0.413 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -14.528 -1.506 -0.307 1.00 0.00 N ATOM 0 H ARG A 47 -11.719 -4.967 0.814 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.476 -3.940 2.417 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.458 -4.313 2.668 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -11.556 -4.356 4.169 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.224 -2.036 3.733 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.483 -2.151 3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.233 -0.889 1.659 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -10.842 -2.483 1.044 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.568 -2.728 1.640 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.538 -0.441 -0.051 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.788 0.004 -1.218 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -15.179 -2.154 0.138 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -14.827 -0.955 -1.112 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.728 -5.881 3.724 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.194 -7.068 4.464 1.00 0.00 C ATOM 1757 C LYS A 48 -7.777 -6.600 5.859 1.00 0.00 C ATOM 1758 O LYS A 48 -8.438 -5.784 6.469 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.977 -7.644 3.722 1.00 0.00 C ATOM 1760 CG LYS A 48 -6.687 -9.086 4.198 1.00 0.00 C ATOM 1761 CD LYS A 48 -7.533 -10.093 3.410 1.00 0.00 C ATOM 1762 CE LYS A 48 -7.259 -11.506 3.934 1.00 0.00 C ATOM 1763 NZ LYS A 48 -7.828 -11.649 5.306 1.00 0.00 N ATOM 0 H LYS A 48 -8.125 -5.059 3.755 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.954 -7.846 4.534 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.163 -7.639 2.648 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.105 -7.014 3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.629 -9.312 4.069 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.904 -9.174 5.263 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.592 -9.854 3.512 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.294 -10.034 2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.702 -12.245 3.266 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.186 -11.696 3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.903 -12.658 5.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.206 -11.175 5.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.772 -11.214 5.337 1.00 0.00 H new ATOM 1777 N ASP A 49 -6.681 -7.090 6.363 1.00 0.00 N ATOM 1778 CA ASP A 49 -6.213 -6.654 7.710 1.00 0.00 C ATOM 1779 C ASP A 49 -5.231 -5.490 7.546 1.00 0.00 C ATOM 1780 O ASP A 49 -5.607 -4.336 7.595 1.00 0.00 O ATOM 1781 CB ASP A 49 -5.517 -7.827 8.406 1.00 0.00 C ATOM 1782 CG ASP A 49 -6.547 -8.915 8.721 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -7.282 -8.747 9.680 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -6.583 -9.896 7.997 1.00 0.00 O ATOM 0 H ASP A 49 -6.086 -7.776 5.900 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.061 -6.330 8.313 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.731 -8.229 7.767 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.038 -7.487 9.324 1.00 0.00 H new ATOM 1789 N GLY A 50 -3.971 -5.787 7.370 1.00 0.00 N ATOM 1790 CA GLY A 50 -2.953 -4.703 7.224 1.00 0.00 C ATOM 1791 C GLY A 50 -2.988 -4.116 5.809 1.00 0.00 C ATOM 1792 O GLY A 50 -3.910 -4.343 5.050 1.00 0.00 O ATOM 0 H GLY A 50 -3.601 -6.736 7.321 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.144 -3.917 7.954 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.960 -5.099 7.435 1.00 0.00 H new ATOM 1796 N ILE A 51 -1.983 -3.353 5.456 1.00 0.00 N ATOM 1797 CA ILE A 51 -1.929 -2.733 4.102 1.00 0.00 C ATOM 1798 C ILE A 51 -1.146 -3.633 3.137 1.00 0.00 C ATOM 1799 O ILE A 51 -0.098 -4.153 3.465 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.252 -1.365 4.236 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -1.979 -0.586 5.354 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.324 -0.594 2.898 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.696 0.912 5.244 1.00 0.00 C ATOM 0 H ILE A 51 -1.190 -3.133 6.058 1.00 0.00 H new ATOM 0 HA ILE A 51 -2.935 -2.612 3.699 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.198 -1.486 4.488 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.052 -0.764 5.288 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.654 -0.951 6.328 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.839 0.376 3.010 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.817 -1.166 2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.367 -0.447 2.618 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.218 1.440 6.042 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.624 1.087 5.334 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.044 1.278 4.278 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.641 -3.798 1.941 1.00 0.00 N ATOM 1816 CA GLN A 52 -0.920 -4.640 0.944 1.00 0.00 C ATOM 1817 C GLN A 52 0.316 -3.857 0.480 1.00 0.00 C ATOM 1818 O GLN A 52 0.313 -2.645 0.488 1.00 0.00 O ATOM 1819 CB GLN A 52 -1.838 -4.921 -0.257 1.00 0.00 C ATOM 1820 CG GLN A 52 -2.987 -5.836 0.167 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.012 -5.935 -0.970 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.633 -6.964 -1.153 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -4.225 -4.898 -1.745 1.00 0.00 N ATOM 0 H GLN A 52 -2.514 -3.386 1.611 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.626 -5.592 1.386 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.234 -3.984 -0.650 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.268 -5.388 -1.060 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.605 -6.827 0.413 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.463 -5.446 1.067 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.706 -4.033 -1.594 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.910 -4.957 -2.498 1.00 0.00 H new ATOM 1832 N THR A 53 1.386 -4.519 0.108 1.00 0.00 N ATOM 1833 CA THR A 53 2.614 -3.766 -0.330 1.00 0.00 C ATOM 1834 C THR A 53 3.238 -4.421 -1.563 1.00 0.00 C ATOM 1835 O THR A 53 3.024 -5.582 -1.849 1.00 0.00 O ATOM 1836 CB THR A 53 3.638 -3.728 0.807 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.934 -3.516 0.267 1.00 0.00 O ATOM 1838 CG2 THR A 53 3.613 -5.042 1.576 1.00 0.00 C ATOM 0 H THR A 53 1.467 -5.536 0.087 1.00 0.00 H new ATOM 0 HA THR A 53 2.320 -2.748 -0.586 1.00 0.00 H new ATOM 0 HB THR A 53 3.388 -2.915 1.488 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.591 -3.490 0.994 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.345 -5.005 2.383 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.619 -5.200 1.995 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.857 -5.863 0.902 1.00 0.00 H new ATOM 1846 N ARG A 54 4.009 -3.656 -2.296 1.00 0.00 N ATOM 1847 CA ARG A 54 4.671 -4.182 -3.536 1.00 0.00 C ATOM 1848 C ARG A 54 6.047 -3.534 -3.714 1.00 0.00 C ATOM 1849 O ARG A 54 6.357 -2.515 -3.129 1.00 0.00 O ATOM 1850 CB ARG A 54 3.823 -3.865 -4.782 1.00 0.00 C ATOM 1851 CG ARG A 54 2.443 -4.547 -4.729 1.00 0.00 C ATOM 1852 CD ARG A 54 2.573 -6.071 -4.898 1.00 0.00 C ATOM 1853 NE ARG A 54 3.419 -6.383 -6.089 1.00 0.00 N ATOM 1854 CZ ARG A 54 3.896 -7.590 -6.251 1.00 0.00 C ATOM 1855 NH1 ARG A 54 3.614 -8.524 -5.385 1.00 0.00 N ATOM 1856 NH2 ARG A 54 4.648 -7.864 -7.282 1.00 0.00 N ATOM 0 H ARG A 54 4.212 -2.678 -2.088 1.00 0.00 H new ATOM 0 HA ARG A 54 4.774 -5.262 -3.427 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.691 -2.786 -4.866 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.355 -4.192 -5.675 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.959 -4.323 -3.778 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.804 -4.144 -5.515 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.016 -6.508 -4.003 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.586 -6.518 -5.016 1.00 0.00 H new ATOM 0 HE ARG A 54 3.624 -5.656 -6.775 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.022 -8.313 -4.582 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.986 -9.465 -5.511 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.865 -7.136 -7.963 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.019 -8.806 -7.407 1.00 0.00 H new ATOM 1870 N ASN A 55 6.867 -4.140 -4.528 1.00 0.00 N ATOM 1871 CA ASN A 55 8.236 -3.606 -4.780 1.00 0.00 C ATOM 1872 C ASN A 55 8.160 -2.196 -5.375 1.00 0.00 C ATOM 1873 O ASN A 55 7.313 -1.896 -6.194 1.00 0.00 O ATOM 1874 CB ASN A 55 8.959 -4.520 -5.768 1.00 0.00 C ATOM 1875 CG ASN A 55 9.168 -5.896 -5.137 1.00 0.00 C ATOM 1876 OD1 ASN A 55 9.588 -5.999 -4.001 1.00 0.00 O ATOM 1877 ND2 ASN A 55 8.895 -6.966 -5.833 1.00 0.00 N ATOM 0 H ASN A 55 6.643 -4.995 -5.037 1.00 0.00 H new ATOM 0 HA ASN A 55 8.776 -3.566 -3.834 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.377 -4.614 -6.685 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.920 -4.086 -6.044 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.034 -7.890 -5.424 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.543 -6.878 -6.786 1.00 0.00 H new ATOM 1884 N ARG A 56 9.050 -1.335 -4.968 1.00 0.00 N ATOM 1885 CA ARG A 56 9.057 0.063 -5.496 1.00 0.00 C ATOM 1886 C ARG A 56 9.424 0.060 -6.987 1.00 0.00 C ATOM 1887 O ARG A 56 10.404 -0.530 -7.398 1.00 0.00 O ATOM 1888 CB ARG A 56 10.109 0.898 -4.721 1.00 0.00 C ATOM 1889 CG ARG A 56 9.469 1.619 -3.523 1.00 0.00 C ATOM 1890 CD ARG A 56 9.164 0.617 -2.408 1.00 0.00 C ATOM 1891 NE ARG A 56 10.387 0.369 -1.605 1.00 0.00 N ATOM 1892 CZ ARG A 56 10.283 -0.189 -0.430 1.00 0.00 C ATOM 1893 NH1 ARG A 56 9.107 -0.533 0.023 1.00 0.00 N ATOM 1894 NH2 ARG A 56 11.349 -0.405 0.290 1.00 0.00 N ATOM 0 H ARG A 56 9.780 -1.539 -4.286 1.00 0.00 H new ATOM 0 HA ARG A 56 8.065 0.497 -5.368 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.910 0.246 -4.372 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.562 1.629 -5.390 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.141 2.393 -3.153 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.551 2.117 -3.836 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.370 1.002 -1.768 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.803 -0.318 -2.836 1.00 0.00 H new ATOM 0 HE ARG A 56 11.303 0.633 -1.969 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.274 -0.365 -0.541 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.022 -0.969 0.941 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.267 -0.138 -0.065 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.265 -0.841 1.208 1.00 0.00 H new ATOM 1908 N LYS A 57 8.649 0.734 -7.791 1.00 0.00 N ATOM 1909 CA LYS A 57 8.948 0.799 -9.248 1.00 0.00 C ATOM 1910 C LYS A 57 10.374 1.307 -9.459 1.00 0.00 C ATOM 1911 O LYS A 57 11.149 1.413 -8.528 1.00 0.00 O ATOM 1912 CB LYS A 57 7.978 1.766 -9.933 1.00 0.00 C ATOM 1913 CG LYS A 57 8.031 3.154 -9.254 1.00 0.00 C ATOM 1914 CD LYS A 57 6.870 3.327 -8.253 1.00 0.00 C ATOM 1915 CE LYS A 57 5.630 3.874 -8.967 1.00 0.00 C ATOM 1916 NZ LYS A 57 5.917 5.245 -9.471 1.00 0.00 N ATOM 0 H LYS A 57 7.816 1.246 -7.499 1.00 0.00 H new ATOM 0 HA LYS A 57 8.841 -0.198 -9.674 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.233 1.860 -10.988 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.964 1.369 -9.885 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.983 3.273 -8.736 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.981 3.935 -10.012 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.637 2.370 -7.787 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.168 4.006 -7.454 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.355 3.220 -9.795 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.782 3.896 -8.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.035 5.796 -9.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.597 5.713 -8.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.320 5.186 -10.428 1.00 0.00 H new ATOM 1930 N VAL A 58 10.720 1.648 -10.669 1.00 0.00 N ATOM 1931 CA VAL A 58 12.084 2.175 -10.917 1.00 0.00 C ATOM 1932 C VAL A 58 12.255 3.434 -10.073 1.00 0.00 C ATOM 1933 O VAL A 58 11.335 4.213 -9.919 1.00 0.00 O ATOM 1934 CB VAL A 58 12.234 2.524 -12.398 1.00 0.00 C ATOM 1935 CG1 VAL A 58 11.877 1.299 -13.237 1.00 0.00 C ATOM 1936 CG2 VAL A 58 11.303 3.692 -12.757 1.00 0.00 C ATOM 0 H VAL A 58 10.119 1.584 -11.491 1.00 0.00 H new ATOM 0 HA VAL A 58 12.838 1.433 -10.653 1.00 0.00 H new ATOM 0 HB VAL A 58 13.263 2.820 -12.602 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.981 1.540 -14.295 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.547 0.477 -12.984 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.848 1.005 -13.032 1.00 0.00 H new ATOM 0 HG21 VAL A 58 11.415 3.935 -13.814 1.00 0.00 H new ATOM 0 HG22 VAL A 58 10.270 3.408 -12.558 1.00 0.00 H new ATOM 0 HG23 VAL A 58 11.563 4.563 -12.155 1.00 0.00 H new