USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=21 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 155:sc= 0.993 USER MOD Set 1.2: A 10 CYS SG : rot -48:sc= -0.285 USER MOD Set 1.3: A 28 CYS SG : rot -123:sc= 0.717 USER MOD Set 1.4: A 31 CYS SG : rot 148:sc= -0.579 USER MOD Set 2.1: A 21 SER OG : rot 180:sc= 0.0197 USER MOD Set 2.2: A 23 MET CE :methyl 178:sc= -0.0181 (180deg=-0.0245) USER MOD Set 3.1: A 12 THR OG1 : rot -110:sc= 0.00265 USER MOD Set 3.2: A 14 THR OG1 : rot -154:sc= 1.09 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 71:sc= 0.619 USER MOD Single : A 9 ASN : amide:sc= -1.79! C(o=-1.8!,f=-2!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 13 SER OG : rot -27:sc= 0.226 USER MOD Single : A 15 THR OG1 : rot -132:sc= 0.267 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0441 USER MOD Single : A 29 ASN :FLIP amide:sc= -4.93! C(o=-8.4!,f=-4.9!) 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+ -120:sc= -3.25 (180deg=-5.22!) USER MOD Single : A 38 HIS : no HD1:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.0668 K(o=-0.067,f=-2.2!) USER MOD Single : A 41 ASN : amide:sc= -0.836 K(o=-0.84,f=-7!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -171:sc= -0.75 (180deg=-0.991) USER MOD Single : A 48 LYS NZ :NH3+ -154:sc= -0.247 (180deg=-1.28!) USER MOD Single : A 52 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.95) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -5.065 8.975 13.584 1.00 0.00 N ATOM 1069 CA ALA A 3 -5.179 7.508 13.338 1.00 0.00 C ATOM 1070 C ALA A 3 -6.456 6.965 13.997 1.00 0.00 C ATOM 1071 O ALA A 3 -6.645 7.056 15.193 1.00 0.00 O ATOM 1072 CB ALA A 3 -3.946 6.785 13.887 1.00 0.00 C ATOM 0 HA ALA A 3 -5.236 7.330 12.264 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.039 5.715 13.702 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.052 7.162 13.391 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.868 6.963 14.960 1.00 0.00 H new ATOM 1078 N GLY A 4 -7.347 6.435 13.202 1.00 0.00 N ATOM 1079 CA GLY A 4 -8.650 5.911 13.729 1.00 0.00 C ATOM 1080 C GLY A 4 -9.760 6.439 12.823 1.00 0.00 C ATOM 1081 O GLY A 4 -10.822 5.863 12.711 1.00 0.00 O ATOM 0 H GLY A 4 -7.229 6.340 12.193 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.649 4.821 13.738 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.807 6.238 14.757 1.00 0.00 H new ATOM 1085 N THR A 5 -9.486 7.516 12.140 1.00 0.00 N ATOM 1086 CA THR A 5 -10.471 8.094 11.182 1.00 0.00 C ATOM 1087 C THR A 5 -10.998 6.962 10.305 1.00 0.00 C ATOM 1088 O THR A 5 -10.407 6.637 9.306 1.00 0.00 O ATOM 1089 CB THR A 5 -9.712 9.098 10.323 1.00 0.00 C ATOM 1090 OG1 THR A 5 -9.420 10.253 11.098 1.00 0.00 O ATOM 1091 CG2 THR A 5 -10.535 9.500 9.101 1.00 0.00 C ATOM 0 H THR A 5 -8.607 8.028 12.206 1.00 0.00 H new ATOM 0 HA THR A 5 -11.305 8.577 11.691 1.00 0.00 H new ATOM 0 HB THR A 5 -8.787 8.634 9.980 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.930 10.900 10.549 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.972 10.217 8.503 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.750 8.616 8.500 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.471 9.954 9.426 1.00 0.00 H new ATOM 1099 N VAL A 6 -12.068 6.311 10.674 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.534 5.172 9.841 1.00 0.00 C ATOM 1101 C VAL A 6 -12.937 5.644 8.446 1.00 0.00 C ATOM 1102 O VAL A 6 -13.544 6.681 8.271 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.724 4.489 10.516 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -13.244 3.752 11.766 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.760 5.543 10.914 1.00 0.00 C ATOM 0 H VAL A 6 -12.629 6.515 11.501 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.712 4.463 9.741 1.00 0.00 H new ATOM 0 HB VAL A 6 -14.176 3.779 9.824 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -14.091 3.264 12.249 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.505 3.001 11.485 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.793 4.464 12.457 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.608 5.056 11.395 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.309 6.253 11.607 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.102 6.071 10.024 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.601 4.868 7.460 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.948 5.213 6.058 1.00 0.00 C ATOM 1117 C CYS A 7 -14.458 5.321 5.899 1.00 0.00 C ATOM 1118 O CYS A 7 -15.197 4.398 6.180 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.412 4.116 5.150 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.843 4.483 3.433 1.00 0.00 S ATOM 0 H CYS A 7 -12.090 3.992 7.568 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.506 6.174 5.794 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.330 4.040 5.255 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.829 3.152 5.442 1.00 0.00 H new ATOM 0 HG CYS A 7 -11.993 3.903 2.639 1.00 0.00 H new ATOM 1125 N SER A 8 -14.917 6.448 5.451 1.00 0.00 N ATOM 1126 CA SER A 8 -16.372 6.642 5.265 1.00 0.00 C ATOM 1127 C SER A 8 -16.922 5.621 4.267 1.00 0.00 C ATOM 1128 O SER A 8 -18.013 5.113 4.434 1.00 0.00 O ATOM 1129 CB SER A 8 -16.627 8.055 4.743 1.00 0.00 C ATOM 1130 OG SER A 8 -16.248 8.992 5.740 1.00 0.00 O ATOM 0 H SER A 8 -14.339 7.251 5.203 1.00 0.00 H new ATOM 0 HA SER A 8 -16.876 6.503 6.222 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.058 8.227 3.829 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.680 8.179 4.491 1.00 0.00 H new ATOM 0 HG SER A 8 -15.272 9.003 5.824 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.202 5.334 3.205 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.744 4.369 2.204 1.00 0.00 C ATOM 1138 C ASN A 9 -16.553 2.911 2.638 1.00 0.00 C ATOM 1139 O ASN A 9 -17.424 2.102 2.389 1.00 0.00 O ATOM 1140 CB ASN A 9 -16.050 4.590 0.859 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.519 5.919 0.265 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.560 6.425 0.635 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -15.795 6.508 -0.644 1.00 0.00 N ATOM 0 H ASN A 9 -15.281 5.720 2.994 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.815 4.551 2.119 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.968 4.598 0.991 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.281 3.771 0.178 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -16.102 7.394 -1.045 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.921 6.083 -0.954 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.435 2.531 3.251 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.267 1.079 3.633 1.00 0.00 C ATOM 1152 C CYS A 10 -14.834 0.899 5.094 1.00 0.00 C ATOM 1153 O CYS A 10 -14.413 -0.170 5.483 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.276 0.378 2.685 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.563 0.781 3.119 1.00 0.00 S ATOM 0 H CYS A 10 -14.658 3.145 3.495 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.247 0.612 3.532 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.423 -0.701 2.734 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.475 0.681 1.657 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.446 2.066 3.275 1.00 0.00 H new ATOM 1160 N GLN A 11 -14.980 1.901 5.917 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.644 1.763 7.371 1.00 0.00 C ATOM 1162 C GLN A 11 -13.194 1.326 7.637 1.00 0.00 C ATOM 1163 O GLN A 11 -12.797 1.223 8.782 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.597 0.742 8.005 1.00 0.00 C ATOM 1165 CG GLN A 11 -17.030 1.278 7.949 1.00 0.00 C ATOM 1166 CD GLN A 11 -17.984 0.258 8.573 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -18.095 -0.856 8.100 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -18.685 0.593 9.621 1.00 0.00 N ATOM 0 H GLN A 11 -15.322 2.823 5.644 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.756 2.753 7.814 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.532 -0.209 7.476 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.308 0.552 9.039 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -17.095 2.226 8.483 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.316 1.474 6.915 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -18.593 1.528 10.019 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -19.325 -0.080 10.043 1.00 0.00 H new ATOM 1177 N THR A 12 -12.385 1.066 6.646 1.00 0.00 N ATOM 1178 CA THR A 12 -10.986 0.651 6.978 1.00 0.00 C ATOM 1179 C THR A 12 -10.319 1.784 7.775 1.00 0.00 C ATOM 1180 O THR A 12 -10.490 2.944 7.458 1.00 0.00 O ATOM 1181 CB THR A 12 -10.190 0.337 5.690 1.00 0.00 C ATOM 1182 OG1 THR A 12 -8.978 -0.318 6.042 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.860 1.609 4.903 1.00 0.00 C ATOM 0 H THR A 12 -12.617 1.119 5.654 1.00 0.00 H new ATOM 0 HA THR A 12 -11.001 -0.258 7.579 1.00 0.00 H new ATOM 0 HB THR A 12 -10.807 -0.302 5.058 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.222 0.283 5.877 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.300 1.346 4.005 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.785 2.112 4.620 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.260 2.275 5.523 1.00 0.00 H new ATOM 1191 N SER A 13 -9.540 1.460 8.790 1.00 0.00 N ATOM 1192 CA SER A 13 -8.843 2.540 9.586 1.00 0.00 C ATOM 1193 C SER A 13 -7.379 2.567 9.156 1.00 0.00 C ATOM 1194 O SER A 13 -6.626 3.459 9.493 1.00 0.00 O ATOM 1195 CB SER A 13 -8.949 2.260 11.086 1.00 0.00 C ATOM 1196 OG SER A 13 -8.264 3.280 11.804 1.00 0.00 O ATOM 0 H SER A 13 -9.357 0.506 9.101 1.00 0.00 H new ATOM 0 HA SER A 13 -9.314 3.505 9.397 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.996 2.227 11.388 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.519 1.285 11.317 1.00 0.00 H new ATOM 0 HG SER A 13 -7.551 3.652 11.244 1.00 0.00 H new ATOM 1202 N THR A 14 -6.985 1.584 8.394 1.00 0.00 N ATOM 1203 CA THR A 14 -5.582 1.510 7.896 1.00 0.00 C ATOM 1204 C THR A 14 -5.555 2.036 6.465 1.00 0.00 C ATOM 1205 O THR A 14 -6.205 1.502 5.588 1.00 0.00 O ATOM 1206 CB THR A 14 -5.130 0.051 7.907 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.918 -0.693 6.989 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.303 -0.521 9.312 1.00 0.00 C ATOM 0 H THR A 14 -7.585 0.817 8.091 1.00 0.00 H new ATOM 0 HA THR A 14 -4.919 2.102 8.527 1.00 0.00 H new ATOM 0 HB THR A 14 -4.081 -0.011 7.617 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.944 -1.632 7.267 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.981 -1.562 9.323 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.699 0.053 10.015 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.352 -0.462 9.602 1.00 0.00 H new ATOM 1216 N THR A 15 -4.804 3.075 6.215 1.00 0.00 N ATOM 1217 CA THR A 15 -4.742 3.632 4.828 1.00 0.00 C ATOM 1218 C THR A 15 -3.350 4.198 4.568 1.00 0.00 C ATOM 1219 O THR A 15 -2.683 4.667 5.470 1.00 0.00 O ATOM 1220 CB THR A 15 -5.746 4.779 4.682 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.172 5.974 5.191 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.003 4.475 5.475 1.00 0.00 C ATOM 0 H THR A 15 -4.233 3.562 6.906 1.00 0.00 H new ATOM 0 HA THR A 15 -4.972 2.834 4.122 1.00 0.00 H new ATOM 0 HB THR A 15 -5.996 4.896 3.627 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.813 6.417 5.785 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.711 5.297 5.365 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.454 3.555 5.103 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.749 4.354 6.528 1.00 0.00 H new ATOM 1230 N THR A 16 -2.917 4.194 3.342 1.00 0.00 N ATOM 1231 CA THR A 16 -1.584 4.770 3.046 1.00 0.00 C ATOM 1232 C THR A 16 -1.706 6.292 3.092 1.00 0.00 C ATOM 1233 O THR A 16 -0.818 6.981 3.558 1.00 0.00 O ATOM 1234 CB THR A 16 -1.106 4.343 1.656 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.907 4.979 0.668 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.194 2.819 1.486 1.00 0.00 C ATOM 0 H THR A 16 -3.424 3.820 2.540 1.00 0.00 H new ATOM 0 HA THR A 16 -0.862 4.414 3.781 1.00 0.00 H new ATOM 0 HB THR A 16 -0.064 4.640 1.541 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.602 4.709 -0.224 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.848 2.543 0.490 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.568 2.333 2.234 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.228 2.498 1.613 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.809 6.832 2.621 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.984 8.321 2.657 1.00 0.00 C ATOM 1246 C LEU A 17 -4.473 8.643 2.844 1.00 0.00 C ATOM 1247 O LEU A 17 -5.327 8.098 2.172 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.453 8.959 1.353 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.854 10.347 1.641 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.604 10.215 2.557 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.488 11.032 0.301 1.00 0.00 C ATOM 0 H LEU A 17 -3.588 6.311 2.217 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.415 8.734 3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.696 8.314 0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.262 9.048 0.628 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.588 10.961 2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.190 11.204 2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.891 9.749 3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.147 9.599 2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.063 12.016 0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.758 10.422 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.385 11.140 -0.309 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.792 9.527 3.750 1.00 0.00 N ATOM 1264 CA TRP A 18 -6.216 9.892 3.984 1.00 0.00 C ATOM 1265 C TRP A 18 -6.672 10.923 2.940 1.00 0.00 C ATOM 1266 O TRP A 18 -6.010 11.915 2.703 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.344 10.503 5.398 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.420 9.400 6.414 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.531 9.181 7.413 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.429 8.357 6.532 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.933 8.062 8.127 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -7.096 7.522 7.620 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.590 8.056 5.800 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.885 6.428 7.970 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.386 6.955 6.149 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -9.033 6.141 7.229 1.00 0.00 C ATOM 0 H TRP A 18 -4.120 10.015 4.342 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.841 9.003 3.899 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.489 11.146 5.607 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.235 11.128 5.457 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.655 9.778 7.619 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.429 7.684 8.930 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.872 8.677 4.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.610 5.806 8.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.277 6.735 5.580 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.647 5.292 7.490 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.809 10.695 2.324 1.00 0.00 N ATOM 1288 CA ARG A 19 -8.339 11.655 1.300 1.00 0.00 C ATOM 1289 C ARG A 19 -9.674 12.227 1.802 1.00 0.00 C ATOM 1290 O ARG A 19 -10.595 11.488 2.071 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.614 10.907 -0.017 1.00 0.00 C ATOM 1292 CG ARG A 19 -7.473 9.946 -0.345 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.176 10.721 -0.556 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.226 9.858 -1.330 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.093 10.333 -1.783 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.711 11.540 -1.487 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.328 9.585 -2.525 1.00 0.00 N ATOM 0 H ARG A 19 -8.398 9.878 2.488 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.609 12.448 1.138 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.550 10.354 0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.736 11.624 -0.829 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.348 9.228 0.465 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.715 9.376 -1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.372 11.647 -1.096 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.740 10.998 0.404 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.466 8.883 -1.507 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.296 12.129 -0.895 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.826 11.897 -1.847 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.612 8.632 -2.752 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.445 9.952 -2.879 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.817 13.513 1.920 1.00 0.00 N ATOM 1312 CA ARG A 20 -11.131 14.056 2.388 1.00 0.00 C ATOM 1313 C ARG A 20 -12.021 14.275 1.149 1.00 0.00 C ATOM 1314 O ARG A 20 -12.012 15.340 0.567 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.888 15.409 3.106 1.00 0.00 C ATOM 1316 CG ARG A 20 -10.927 15.223 4.635 1.00 0.00 C ATOM 1317 CD ARG A 20 -10.033 14.040 5.065 1.00 0.00 C ATOM 1318 NE ARG A 20 -9.312 14.384 6.339 1.00 0.00 N ATOM 1319 CZ ARG A 20 -8.497 15.401 6.408 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -8.225 16.095 5.336 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -7.933 15.711 7.545 1.00 0.00 N ATOM 0 H ARG A 20 -9.098 14.208 1.718 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.615 13.366 3.080 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.922 15.817 2.808 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.647 16.130 2.802 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.591 16.136 5.126 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.953 15.046 4.959 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.641 13.147 5.210 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.313 13.812 4.279 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.463 13.809 7.168 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.650 15.842 4.444 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.588 16.890 5.391 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.130 15.158 8.379 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.296 16.506 7.598 1.00 0.00 H new ATOM 1335 N SER A 21 -12.740 13.257 0.717 1.00 0.00 N ATOM 1336 CA SER A 21 -13.603 13.354 -0.513 1.00 0.00 C ATOM 1337 C SER A 21 -14.171 14.778 -0.718 1.00 0.00 C ATOM 1338 O SER A 21 -14.259 15.555 0.204 1.00 0.00 O ATOM 1339 CB SER A 21 -14.757 12.342 -0.374 1.00 0.00 C ATOM 1340 OG SER A 21 -15.992 12.963 -0.715 1.00 0.00 O ATOM 0 H SER A 21 -12.765 12.346 1.175 1.00 0.00 H new ATOM 0 HA SER A 21 -12.991 13.129 -1.386 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.580 11.485 -1.023 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.800 11.965 0.648 1.00 0.00 H new ATOM 0 HG SER A 21 -16.720 12.313 -0.626 1.00 0.00 H new ATOM 1346 N PRO A 22 -14.550 15.115 -1.940 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.096 16.472 -2.248 1.00 0.00 C ATOM 1348 C PRO A 22 -16.206 16.925 -1.280 1.00 0.00 C ATOM 1349 O PRO A 22 -16.630 18.064 -1.304 1.00 0.00 O ATOM 1350 CB PRO A 22 -15.646 16.288 -3.685 1.00 0.00 C ATOM 1351 CG PRO A 22 -15.333 14.851 -4.154 1.00 0.00 C ATOM 1352 CD PRO A 22 -14.461 14.173 -3.093 1.00 0.00 C ATOM 0 HA PRO A 22 -14.341 17.251 -2.149 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -16.721 16.466 -3.704 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -15.191 17.013 -4.360 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.256 14.291 -4.300 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.816 14.870 -5.114 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -14.835 13.182 -2.835 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.433 14.047 -3.434 1.00 0.00 H new ATOM 1360 N MET A 23 -16.689 16.041 -0.442 1.00 0.00 N ATOM 1361 CA MET A 23 -17.783 16.419 0.514 1.00 0.00 C ATOM 1362 C MET A 23 -17.192 16.713 1.891 1.00 0.00 C ATOM 1363 O MET A 23 -17.846 17.260 2.756 1.00 0.00 O ATOM 1364 CB MET A 23 -18.771 15.258 0.630 1.00 0.00 C ATOM 1365 CG MET A 23 -19.425 15.009 -0.730 1.00 0.00 C ATOM 1366 SD MET A 23 -20.806 13.848 -0.542 1.00 0.00 S ATOM 1367 CE MET A 23 -19.859 12.302 -0.491 1.00 0.00 C ATOM 0 H MET A 23 -16.375 15.073 -0.377 1.00 0.00 H new ATOM 0 HA MET A 23 -18.293 17.308 0.144 1.00 0.00 H new ATOM 0 HB2 MET A 23 -18.255 14.359 0.968 1.00 0.00 H new ATOM 0 HB3 MET A 23 -19.532 15.487 1.375 1.00 0.00 H new ATOM 0 HG2 MET A 23 -19.783 15.949 -1.150 1.00 0.00 H new ATOM 0 HG3 MET A 23 -18.692 14.606 -1.429 1.00 0.00 H new ATOM 0 HE1 MET A 23 -20.539 11.463 -0.342 1.00 0.00 H new ATOM 0 HE2 MET A 23 -19.324 12.172 -1.431 1.00 0.00 H new ATOM 0 HE3 MET A 23 -19.144 12.340 0.331 1.00 0.00 H new ATOM 1377 N GLY A 24 -15.963 16.343 2.103 1.00 0.00 N ATOM 1378 CA GLY A 24 -15.319 16.582 3.424 1.00 0.00 C ATOM 1379 C GLY A 24 -15.516 15.353 4.311 1.00 0.00 C ATOM 1380 O GLY A 24 -15.532 15.451 5.521 1.00 0.00 O ATOM 0 H GLY A 24 -15.371 15.881 1.413 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.256 16.783 3.292 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -15.753 17.461 3.900 1.00 0.00 H new ATOM 1384 N ASP A 25 -15.661 14.188 3.723 1.00 0.00 N ATOM 1385 CA ASP A 25 -15.847 12.940 4.521 1.00 0.00 C ATOM 1386 C ASP A 25 -14.531 12.133 4.485 1.00 0.00 C ATOM 1387 O ASP A 25 -13.862 12.113 3.471 1.00 0.00 O ATOM 1388 CB ASP A 25 -16.947 12.100 3.865 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.215 12.941 3.711 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.353 13.909 4.441 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.027 12.603 2.864 1.00 0.00 O ATOM 0 H ASP A 25 -15.658 14.051 2.712 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.116 13.185 5.548 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.614 11.745 2.890 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.155 11.218 4.471 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.147 11.465 5.555 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.878 10.670 5.547 1.00 0.00 C ATOM 1398 C PRO A 26 -12.986 9.353 4.743 1.00 0.00 C ATOM 1399 O PRO A 26 -13.848 8.539 4.997 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.708 10.358 7.048 1.00 0.00 C ATOM 1401 CG PRO A 26 -14.096 10.463 7.687 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.911 11.448 6.842 1.00 0.00 C ATOM 0 HA PRO A 26 -12.052 11.205 5.078 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.293 9.360 7.190 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.016 11.061 7.512 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.581 9.487 7.715 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -14.020 10.811 8.717 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.938 11.112 6.702 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.959 12.436 7.301 1.00 0.00 H new ATOM 1410 N VAL A 27 -12.086 9.126 3.813 1.00 0.00 N ATOM 1411 CA VAL A 27 -12.100 7.833 3.031 1.00 0.00 C ATOM 1412 C VAL A 27 -10.661 7.339 2.875 1.00 0.00 C ATOM 1413 O VAL A 27 -9.731 8.113 2.937 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.707 8.034 1.639 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -14.232 8.128 1.749 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -12.118 9.309 1.022 1.00 0.00 C ATOM 0 H VAL A 27 -11.342 9.775 3.558 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.707 7.106 3.571 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.468 7.187 0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.660 8.271 0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.623 7.208 2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.500 8.972 2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.543 9.463 0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.356 10.163 1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.036 9.208 0.941 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.454 6.062 2.659 1.00 0.00 N ATOM 1427 CA CYS A 28 -9.057 5.562 2.500 1.00 0.00 C ATOM 1428 C CYS A 28 -8.572 5.811 1.063 1.00 0.00 C ATOM 1429 O CYS A 28 -9.351 5.905 0.136 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.973 4.073 2.889 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.787 2.999 1.670 1.00 0.00 S ATOM 0 H CYS A 28 -11.184 5.354 2.587 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.396 6.109 3.172 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.927 3.783 2.985 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.435 3.927 3.865 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.705 2.292 2.259 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.286 5.972 0.894 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.714 6.283 -0.455 1.00 0.00 C ATOM 1438 C ASN A 29 -7.287 5.371 -1.544 1.00 0.00 C ATOM 1439 O ASN A 29 -7.443 5.781 -2.679 1.00 0.00 O ATOM 1440 CB ASN A 29 -5.195 6.098 -0.397 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.552 6.732 -1.630 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -3.354 7.244 -1.539 1.00 0.00 O flip ATOM 1443 ND2 ASN A 29 -5.149 6.770 -2.684 1.00 0.00 N flip ATOM 0 H ASN A 29 -6.596 5.901 1.642 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.976 7.310 -0.708 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.797 6.556 0.509 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.950 5.037 -0.352 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.085 6.370 -2.755 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.716 7.202 -3.500 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.601 4.154 -1.236 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.151 3.263 -2.293 1.00 0.00 C ATOM 1452 C ALA A 30 -9.604 3.653 -2.637 1.00 0.00 C ATOM 1453 O ALA A 30 -9.959 3.766 -3.793 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.087 1.822 -1.811 1.00 0.00 C ATOM 0 H ALA A 30 -7.504 3.736 -0.311 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.554 3.371 -3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.489 1.163 -2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.051 1.552 -1.607 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.676 1.717 -0.900 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.450 3.842 -1.652 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.879 4.205 -1.947 1.00 0.00 C ATOM 1462 C CYS A 31 -11.949 5.499 -2.754 1.00 0.00 C ATOM 1463 O CYS A 31 -12.737 5.627 -3.653 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.659 4.432 -0.644 1.00 0.00 C ATOM 1465 SG CYS A 31 -13.126 2.856 0.092 1.00 0.00 S ATOM 0 H CYS A 31 -10.218 3.762 -0.662 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.313 3.380 -2.512 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.049 5.002 0.057 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.551 5.025 -0.846 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.134 2.967 1.387 1.00 0.00 H new ATOM 1470 N GLY A 32 -11.160 6.469 -2.418 1.00 0.00 N ATOM 1471 CA GLY A 32 -11.241 7.755 -3.158 1.00 0.00 C ATOM 1472 C GLY A 32 -10.953 7.533 -4.640 1.00 0.00 C ATOM 1473 O GLY A 32 -11.655 8.030 -5.499 1.00 0.00 O ATOM 0 H GLY A 32 -10.467 6.433 -1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.232 8.191 -3.035 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.526 8.466 -2.744 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.930 6.798 -4.953 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.614 6.558 -6.384 1.00 0.00 C ATOM 1479 C LEU A 33 -10.698 5.675 -7.006 1.00 0.00 C ATOM 1480 O LEU A 33 -11.233 5.981 -8.048 1.00 0.00 O ATOM 1481 CB LEU A 33 -8.263 5.850 -6.476 1.00 0.00 C ATOM 1482 CG LEU A 33 -7.184 6.707 -5.796 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.846 5.947 -5.772 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -7.019 8.041 -6.554 1.00 0.00 C ATOM 0 H LEU A 33 -9.300 6.354 -4.284 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.574 7.506 -6.920 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.320 4.872 -5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.001 5.679 -7.520 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.490 6.916 -4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.087 6.562 -5.288 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.966 5.016 -5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.536 5.724 -6.793 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.253 8.644 -6.067 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.723 7.840 -7.584 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.965 8.582 -6.548 1.00 0.00 H new ATOM 1496 N TYR A 34 -11.032 4.587 -6.379 1.00 0.00 N ATOM 1497 CA TYR A 34 -12.086 3.705 -6.951 1.00 0.00 C ATOM 1498 C TYR A 34 -13.402 4.479 -7.075 1.00 0.00 C ATOM 1499 O TYR A 34 -14.087 4.410 -8.077 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.289 2.493 -6.038 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.446 1.669 -6.543 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.754 2.028 -6.200 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -13.215 0.555 -7.359 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.832 1.274 -6.674 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -14.293 -0.201 -7.831 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.603 0.159 -7.489 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.668 -0.580 -7.960 1.00 0.00 O ATOM 0 H TYR A 34 -10.625 4.269 -5.500 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.774 3.369 -7.940 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.382 1.888 -6.012 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.482 2.822 -5.017 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.931 2.887 -5.570 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.205 0.280 -7.624 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.842 1.552 -6.411 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -14.116 -1.062 -8.459 1.00 0.00 H new ATOM 0 HH TYR A 34 -16.335 -1.319 -8.512 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.765 5.199 -6.054 1.00 0.00 N ATOM 1518 CA TYR A 35 -15.041 5.965 -6.081 1.00 0.00 C ATOM 1519 C TYR A 35 -15.007 7.032 -7.179 1.00 0.00 C ATOM 1520 O TYR A 35 -15.934 7.194 -7.925 1.00 0.00 O ATOM 1521 CB TYR A 35 -15.240 6.645 -4.721 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.684 7.040 -4.558 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -17.118 8.287 -5.008 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.585 6.156 -3.952 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.459 8.658 -4.850 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.924 6.521 -3.796 1.00 0.00 C ATOM 1527 CZ TYR A 35 -19.362 7.773 -4.243 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.683 8.136 -4.085 1.00 0.00 O ATOM 0 H TYR A 35 -13.227 5.291 -5.192 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.863 5.279 -6.287 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.945 5.969 -3.919 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.601 7.525 -4.647 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.421 8.965 -5.478 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -17.244 5.192 -3.605 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.797 9.624 -5.195 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.620 5.839 -3.331 1.00 0.00 H new ATOM 0 HH TYR A 35 -21.172 7.408 -3.648 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.959 7.781 -7.274 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.915 8.844 -8.316 1.00 0.00 C ATOM 1540 C LYS A 36 -14.049 8.237 -9.718 1.00 0.00 C ATOM 1541 O LYS A 36 -14.743 8.768 -10.563 1.00 0.00 O ATOM 1542 CB LYS A 36 -12.576 9.571 -8.186 1.00 0.00 C ATOM 1543 CG LYS A 36 -12.444 10.656 -9.249 1.00 0.00 C ATOM 1544 CD LYS A 36 -11.186 11.489 -8.962 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.919 10.635 -9.144 1.00 0.00 C ATOM 1546 NZ LYS A 36 -9.646 9.875 -7.892 1.00 0.00 N ATOM 0 H LYS A 36 -13.131 7.710 -6.683 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.744 9.537 -8.175 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.493 10.015 -7.194 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.758 8.857 -8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.379 10.206 -10.240 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -13.327 11.295 -9.246 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.151 12.348 -9.632 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.225 11.879 -7.945 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.049 9.946 -9.979 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.069 11.273 -9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.711 10.141 -7.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.375 10.098 -7.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.660 8.855 -8.095 1.00 0.00 H new ATOM 1560 N LEU A 37 -13.393 7.146 -9.983 1.00 0.00 N ATOM 1561 CA LEU A 37 -13.488 6.534 -11.343 1.00 0.00 C ATOM 1562 C LEU A 37 -14.875 5.917 -11.590 1.00 0.00 C ATOM 1563 O LEU A 37 -15.396 6.005 -12.684 1.00 0.00 O ATOM 1564 CB LEU A 37 -12.400 5.453 -11.487 1.00 0.00 C ATOM 1565 CG LEU A 37 -11.077 6.086 -11.947 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.738 7.314 -11.086 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.953 5.056 -11.820 1.00 0.00 C ATOM 0 H LEU A 37 -12.796 6.649 -9.322 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.339 7.318 -12.085 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.255 4.944 -10.534 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.720 4.699 -12.206 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.181 6.402 -12.985 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.798 7.749 -11.426 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.534 8.053 -11.177 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.641 7.012 -10.043 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.013 5.501 -12.145 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.864 4.740 -10.780 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.180 4.191 -12.444 1.00 0.00 H new ATOM 1579 N HIS A 38 -15.464 5.264 -10.611 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.802 4.612 -10.836 1.00 0.00 C ATOM 1581 C HIS A 38 -17.910 5.273 -10.013 1.00 0.00 C ATOM 1582 O HIS A 38 -19.074 5.006 -10.227 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.700 3.140 -10.448 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.681 2.476 -11.331 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -16.028 1.863 -12.524 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -14.320 2.331 -11.216 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.900 1.379 -13.074 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.829 1.636 -12.317 1.00 0.00 N ATOM 0 H HIS A 38 -15.081 5.154 -9.672 1.00 0.00 H new ATOM 0 HA HIS A 38 -17.061 4.724 -11.889 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -16.412 3.045 -9.401 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.669 2.653 -10.557 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.722 2.700 -10.396 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.864 0.847 -14.013 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -12.860 1.378 -12.506 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.587 6.144 -9.100 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.632 6.832 -8.285 1.00 0.00 C ATOM 1598 C GLN A 39 -19.752 5.863 -7.860 1.00 0.00 C ATOM 1599 O GLN A 39 -20.925 6.096 -8.064 1.00 0.00 O ATOM 1600 CB GLN A 39 -19.145 8.054 -9.063 1.00 0.00 C ATOM 1601 CG GLN A 39 -20.136 8.857 -8.211 1.00 0.00 C ATOM 1602 CD GLN A 39 -20.347 10.240 -8.826 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -19.543 10.702 -9.612 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -21.407 10.925 -8.494 1.00 0.00 N ATOM 0 H GLN A 39 -16.629 6.414 -8.879 1.00 0.00 H new ATOM 0 HA GLN A 39 -18.197 7.187 -7.350 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -18.306 8.688 -9.350 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -19.629 7.729 -9.984 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -21.087 8.328 -8.148 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -19.758 8.955 -7.193 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -22.080 10.535 -7.834 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.562 11.850 -8.894 1.00 0.00 H new ATOM 1613 N VAL A 40 -19.373 4.783 -7.223 1.00 0.00 N ATOM 1614 CA VAL A 40 -20.354 3.793 -6.708 1.00 0.00 C ATOM 1615 C VAL A 40 -19.760 3.163 -5.451 1.00 0.00 C ATOM 1616 O VAL A 40 -18.558 3.112 -5.283 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.629 2.691 -7.730 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.501 3.233 -8.863 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -19.312 2.146 -8.293 1.00 0.00 C ATOM 0 H VAL A 40 -18.399 4.545 -7.037 1.00 0.00 H new ATOM 0 HA VAL A 40 -21.296 4.300 -6.500 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.159 1.878 -7.234 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.692 2.440 -9.586 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.448 3.588 -8.456 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.986 4.058 -9.356 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.524 1.362 -9.020 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.763 2.952 -8.779 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.711 1.736 -7.481 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.580 2.681 -4.565 1.00 0.00 N ATOM 1630 CA ASN A 41 -20.043 2.050 -3.321 1.00 0.00 C ATOM 1631 C ASN A 41 -19.730 0.577 -3.600 1.00 0.00 C ATOM 1632 O ASN A 41 -20.565 -0.163 -4.080 1.00 0.00 O ATOM 1633 CB ASN A 41 -21.076 2.158 -2.196 1.00 0.00 C ATOM 1634 CG ASN A 41 -22.305 1.314 -2.538 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.652 1.162 -3.691 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.982 0.752 -1.573 1.00 0.00 N ATOM 0 H ASN A 41 -21.597 2.694 -4.643 1.00 0.00 H new ATOM 0 HA ASN A 41 -19.133 2.565 -3.014 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.640 1.819 -1.256 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -21.366 3.199 -2.055 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.802 0.185 -1.788 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.690 0.880 -0.604 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.523 0.149 -3.317 1.00 0.00 N ATOM 1644 CA ARG A 42 -18.134 -1.275 -3.576 1.00 0.00 C ATOM 1645 C ARG A 42 -18.190 -2.082 -2.258 1.00 0.00 C ATOM 1646 O ARG A 42 -17.696 -1.620 -1.247 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.698 -1.303 -4.109 1.00 0.00 C ATOM 1648 CG ARG A 42 -16.354 -2.713 -4.593 1.00 0.00 C ATOM 1649 CD ARG A 42 -14.889 -2.770 -5.024 1.00 0.00 C ATOM 1650 NE ARG A 42 -14.512 -4.188 -5.289 1.00 0.00 N ATOM 1651 CZ ARG A 42 -13.412 -4.461 -5.936 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -12.627 -3.493 -6.321 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -13.096 -5.699 -6.196 1.00 0.00 N ATOM 0 H ARG A 42 -17.786 0.728 -2.915 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.820 -1.714 -4.300 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.590 -0.591 -4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.004 -0.997 -3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -16.537 -3.435 -3.797 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -16.999 -2.988 -5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.737 -2.167 -5.919 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.252 -2.351 -4.245 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.114 -4.945 -4.965 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.873 -2.525 -6.116 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.767 -3.704 -6.827 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.709 -6.456 -5.894 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.236 -5.910 -6.702 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.762 -3.276 -2.238 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.806 -4.069 -0.975 1.00 0.00 C ATOM 1669 C PRO A 43 -17.429 -4.134 -0.284 1.00 0.00 C ATOM 1670 O PRO A 43 -16.400 -4.047 -0.923 1.00 0.00 O ATOM 1671 CB PRO A 43 -19.269 -5.456 -1.459 1.00 0.00 C ATOM 1672 CG PRO A 43 -19.742 -5.330 -2.922 1.00 0.00 C ATOM 1673 CD PRO A 43 -19.396 -3.919 -3.430 1.00 0.00 C ATOM 0 HA PRO A 43 -19.463 -3.634 -0.222 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -18.453 -6.175 -1.385 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -20.078 -5.826 -0.830 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -19.258 -6.085 -3.542 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -20.816 -5.503 -2.989 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -18.715 -3.952 -4.280 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -20.285 -3.378 -3.755 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.413 -4.278 1.014 1.00 0.00 N ATOM 1682 CA LEU A 44 -16.115 -4.341 1.762 1.00 0.00 C ATOM 1683 C LEU A 44 -15.292 -5.564 1.325 1.00 0.00 C ATOM 1684 O LEU A 44 -14.385 -5.981 2.016 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.411 -4.429 3.271 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.580 -3.024 3.851 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.813 -2.361 3.236 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.761 -3.119 5.369 1.00 0.00 C ATOM 0 H LEU A 44 -18.247 -4.356 1.596 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.536 -3.443 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.316 -5.013 3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.598 -4.947 3.780 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.695 -2.429 3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.932 -1.360 3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.689 -2.294 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.698 -2.956 3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.882 -2.118 5.784 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.646 -3.714 5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.884 -3.592 5.811 1.00 0.00 H new ATOM 1700 N THR A 45 -15.582 -6.139 0.191 1.00 0.00 N ATOM 1701 CA THR A 45 -14.790 -7.318 -0.256 1.00 0.00 C ATOM 1702 C THR A 45 -13.353 -6.884 -0.573 1.00 0.00 C ATOM 1703 O THR A 45 -12.462 -7.702 -0.685 1.00 0.00 O ATOM 1704 CB THR A 45 -15.426 -7.921 -1.514 1.00 0.00 C ATOM 1705 OG1 THR A 45 -15.622 -6.901 -2.484 1.00 0.00 O ATOM 1706 CG2 THR A 45 -16.773 -8.562 -1.161 1.00 0.00 C ATOM 0 H THR A 45 -16.327 -5.846 -0.441 1.00 0.00 H new ATOM 0 HA THR A 45 -14.779 -8.063 0.539 1.00 0.00 H new ATOM 0 HB THR A 45 -14.763 -8.685 -1.920 1.00 0.00 H new ATOM 0 HG1 THR A 45 -16.027 -7.288 -3.288 1.00 0.00 H new ATOM 0 HG21 THR A 45 -17.220 -8.988 -2.059 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.619 -9.350 -0.423 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.440 -7.804 -0.749 1.00 0.00 H new ATOM 1714 N MET A 46 -13.120 -5.602 -0.728 1.00 0.00 N ATOM 1715 CA MET A 46 -11.734 -5.114 -1.052 1.00 0.00 C ATOM 1716 C MET A 46 -11.030 -4.674 0.238 1.00 0.00 C ATOM 1717 O MET A 46 -9.873 -4.305 0.242 1.00 0.00 O ATOM 1718 CB MET A 46 -11.843 -3.919 -2.013 1.00 0.00 C ATOM 1719 CG MET A 46 -10.490 -3.649 -2.696 1.00 0.00 C ATOM 1720 SD MET A 46 -10.350 -4.682 -4.182 1.00 0.00 S ATOM 1721 CE MET A 46 -9.748 -3.411 -5.327 1.00 0.00 C ATOM 0 H MET A 46 -13.826 -4.871 -0.645 1.00 0.00 H new ATOM 0 HA MET A 46 -11.158 -5.913 -1.518 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.604 -4.120 -2.767 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.163 -3.033 -1.465 1.00 0.00 H new ATOM 0 HG2 MET A 46 -10.408 -2.595 -2.963 1.00 0.00 H new ATOM 0 HG3 MET A 46 -9.673 -3.868 -2.009 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.749 -3.807 -6.343 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.399 -2.538 -5.277 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.734 -3.123 -5.050 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.736 -4.686 1.325 1.00 0.00 N ATOM 1732 CA ARG A 47 -11.149 -4.244 2.619 1.00 0.00 C ATOM 1733 C ARG A 47 -10.296 -5.345 3.264 1.00 0.00 C ATOM 1734 O ARG A 47 -10.749 -6.451 3.483 1.00 0.00 O ATOM 1735 CB ARG A 47 -12.310 -3.889 3.541 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.810 -3.440 4.906 1.00 0.00 C ATOM 1737 CD ARG A 47 -13.026 -3.108 5.758 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.584 -2.571 7.084 1.00 0.00 N ATOM 1739 CZ ARG A 47 -11.855 -3.280 7.901 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -11.621 -4.541 7.653 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -11.396 -2.737 8.994 1.00 0.00 N ATOM 0 H ARG A 47 -12.709 -4.987 1.377 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.493 -3.390 2.449 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.907 -3.096 3.090 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.964 -4.753 3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.218 -4.227 5.374 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.162 -2.569 4.808 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.650 -2.374 5.248 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.636 -4.000 5.901 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.860 -1.627 7.355 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -12.009 -4.977 6.816 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.050 -5.090 8.296 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.607 -1.762 9.207 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.826 -3.287 9.636 1.00 0.00 H new ATOM 1755 N LYS A 48 -9.063 -5.026 3.593 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.155 -6.017 4.260 1.00 0.00 C ATOM 1757 C LYS A 48 -7.641 -5.378 5.556 1.00 0.00 C ATOM 1758 O LYS A 48 -7.339 -4.201 5.587 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.976 -6.342 3.336 1.00 0.00 C ATOM 1760 CG LYS A 48 -6.193 -7.534 3.904 1.00 0.00 C ATOM 1761 CD LYS A 48 -4.931 -7.787 3.067 1.00 0.00 C ATOM 1762 CE LYS A 48 -5.286 -8.528 1.770 1.00 0.00 C ATOM 1763 NZ LYS A 48 -6.003 -9.796 2.092 1.00 0.00 N ATOM 0 H LYS A 48 -8.644 -4.111 3.426 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.689 -6.942 4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.339 -6.575 2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.322 -5.475 3.244 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.918 -7.337 4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.822 -8.424 3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.448 -6.839 2.831 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.216 -8.374 3.644 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.911 -7.896 1.139 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.380 -8.745 1.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.858 -10.482 1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.632 -10.189 2.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.020 -9.603 2.197 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.571 -6.126 6.631 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.108 -5.541 7.932 1.00 0.00 C ATOM 1779 C ASP A 49 -5.936 -4.577 7.706 1.00 0.00 C ATOM 1780 O ASP A 49 -6.121 -3.381 7.599 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.675 -6.669 8.871 1.00 0.00 C ATOM 1782 CG ASP A 49 -6.318 -6.082 10.240 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -6.406 -4.875 10.386 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -5.966 -6.853 11.118 1.00 0.00 O ATOM 0 H ASP A 49 -7.814 -7.116 6.665 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.931 -4.984 8.380 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.477 -7.399 8.974 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.817 -7.195 8.454 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.731 -5.077 7.658 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.554 -4.177 7.464 1.00 0.00 C ATOM 1791 C GLY A 50 -3.521 -3.635 6.031 1.00 0.00 C ATOM 1792 O GLY A 50 -4.414 -3.876 5.241 1.00 0.00 O ATOM 0 H GLY A 50 -4.509 -6.069 7.744 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.602 -3.349 8.171 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.634 -4.722 7.674 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.484 -2.909 5.688 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.370 -2.357 4.311 1.00 0.00 C ATOM 1798 C ILE A 51 -1.666 -3.383 3.420 1.00 0.00 C ATOM 1799 O ILE A 51 -0.702 -4.009 3.815 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.551 -1.063 4.342 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.117 -0.134 5.433 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.628 -0.380 2.967 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.661 1.307 5.192 1.00 0.00 C ATOM 0 H ILE A 51 -1.710 -2.677 6.310 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.364 -2.144 3.917 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.508 -1.285 4.568 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.206 -0.183 5.433 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.783 -0.469 6.415 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.046 0.542 2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.225 -1.048 2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.667 -0.148 2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.068 1.952 5.970 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.572 1.353 5.215 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.017 1.643 4.218 1.00 0.00 H new ATOM 1815 N GLN A 52 -2.129 -3.544 2.215 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.473 -4.512 1.293 1.00 0.00 C ATOM 1817 C GLN A 52 -0.135 -3.919 0.850 1.00 0.00 C ATOM 1818 O GLN A 52 0.019 -2.721 0.782 1.00 0.00 O ATOM 1819 CB GLN A 52 -2.359 -4.737 0.064 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.612 -5.520 0.458 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.524 -5.657 -0.763 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -5.054 -6.718 -1.025 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -4.732 -4.616 -1.524 1.00 0.00 N ATOM 0 H GLN A 52 -2.932 -3.049 1.827 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.319 -5.465 1.799 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.641 -3.778 -0.371 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.804 -5.283 -0.699 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.336 -6.505 0.834 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.137 -5.007 1.264 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.286 -3.725 -1.303 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.340 -4.694 -2.339 1.00 0.00 H new ATOM 1832 N THR A 53 0.851 -4.737 0.580 1.00 0.00 N ATOM 1833 CA THR A 53 2.185 -4.189 0.160 1.00 0.00 C ATOM 1834 C THR A 53 2.791 -5.046 -0.954 1.00 0.00 C ATOM 1835 O THR A 53 2.465 -6.204 -1.123 1.00 0.00 O ATOM 1836 CB THR A 53 3.126 -4.160 1.365 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.474 -4.194 0.920 1.00 0.00 O ATOM 1838 CG2 THR A 53 2.842 -5.363 2.253 1.00 0.00 C ATOM 0 H THR A 53 0.795 -5.754 0.631 1.00 0.00 H new ATOM 0 HA THR A 53 2.047 -3.177 -0.220 1.00 0.00 H new ATOM 0 HB THR A 53 2.964 -3.245 1.934 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.075 -4.174 1.694 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.511 -5.346 3.113 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.808 -5.326 2.596 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.003 -6.280 1.686 1.00 0.00 H new ATOM 1846 N ARG A 54 3.673 -4.458 -1.717 1.00 0.00 N ATOM 1847 CA ARG A 54 4.335 -5.189 -2.851 1.00 0.00 C ATOM 1848 C ARG A 54 5.777 -4.699 -3.010 1.00 0.00 C ATOM 1849 O ARG A 54 6.173 -3.698 -2.448 1.00 0.00 O ATOM 1850 CB ARG A 54 3.582 -4.939 -4.172 1.00 0.00 C ATOM 1851 CG ARG A 54 2.138 -5.478 -4.118 1.00 0.00 C ATOM 1852 CD ARG A 54 2.123 -7.016 -4.109 1.00 0.00 C ATOM 1853 NE ARG A 54 3.029 -7.561 -5.178 1.00 0.00 N ATOM 1854 CZ ARG A 54 2.886 -7.236 -6.438 1.00 0.00 C ATOM 1855 NH1 ARG A 54 1.850 -6.551 -6.836 1.00 0.00 N ATOM 1856 NH2 ARG A 54 3.758 -7.653 -7.316 1.00 0.00 N ATOM 0 H ARG A 54 3.971 -3.489 -1.606 1.00 0.00 H new ATOM 0 HA ARG A 54 4.321 -6.255 -2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.563 -3.870 -4.383 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.118 -5.417 -4.992 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.639 -5.101 -3.226 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.577 -5.110 -4.977 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.442 -7.382 -3.133 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.107 -7.376 -4.268 1.00 0.00 H new ATOM 0 HE ARG A 54 3.777 -8.203 -4.914 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.140 -6.262 -6.163 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.750 -6.304 -7.820 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.546 -8.229 -7.019 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.652 -7.403 -8.299 1.00 0.00 H new ATOM 1870 N ASN A 55 6.565 -5.404 -3.779 1.00 0.00 N ATOM 1871 CA ASN A 55 7.980 -4.982 -3.978 1.00 0.00 C ATOM 1872 C ASN A 55 7.995 -3.581 -4.596 1.00 0.00 C ATOM 1873 O ASN A 55 7.231 -3.277 -5.491 1.00 0.00 O ATOM 1874 CB ASN A 55 8.689 -5.969 -4.912 1.00 0.00 C ATOM 1875 CG ASN A 55 8.840 -7.325 -4.215 1.00 0.00 C ATOM 1876 OD1 ASN A 55 9.346 -7.402 -3.113 1.00 0.00 O ATOM 1877 ND2 ASN A 55 8.418 -8.404 -4.817 1.00 0.00 N ATOM 0 H ASN A 55 6.290 -6.251 -4.276 1.00 0.00 H new ATOM 0 HA ASN A 55 8.500 -4.969 -3.020 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.119 -6.085 -5.834 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.669 -5.581 -5.190 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.513 -9.312 -4.362 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.993 -8.339 -5.742 1.00 0.00 H new ATOM 1884 N ARG A 56 8.842 -2.719 -4.105 1.00 0.00 N ATOM 1885 CA ARG A 56 8.888 -1.323 -4.636 1.00 0.00 C ATOM 1886 C ARG A 56 9.199 -1.309 -6.138 1.00 0.00 C ATOM 1887 O ARG A 56 10.134 -1.934 -6.597 1.00 0.00 O ATOM 1888 CB ARG A 56 9.976 -0.526 -3.883 1.00 0.00 C ATOM 1889 CG ARG A 56 10.174 0.883 -4.493 1.00 0.00 C ATOM 1890 CD ARG A 56 8.902 1.724 -4.353 1.00 0.00 C ATOM 1891 NE ARG A 56 9.116 3.070 -4.944 1.00 0.00 N ATOM 1892 CZ ARG A 56 8.084 3.808 -5.255 1.00 0.00 C ATOM 1893 NH1 ARG A 56 6.877 3.356 -5.060 1.00 0.00 N ATOM 1894 NH2 ARG A 56 8.261 4.997 -5.760 1.00 0.00 N ATOM 0 H ARG A 56 9.506 -2.919 -3.357 1.00 0.00 H new ATOM 0 HA ARG A 56 7.910 -0.866 -4.484 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.699 -0.433 -2.833 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.918 -1.073 -3.917 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.003 1.386 -3.995 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.441 0.793 -5.546 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.070 1.227 -4.852 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.632 1.818 -3.301 1.00 0.00 H new ATOM 0 HE ARG A 56 10.062 3.415 -5.106 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.738 2.426 -4.665 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.071 3.932 -5.303 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.205 5.351 -5.912 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.455 5.573 -6.003 1.00 0.00 H new ATOM 1908 N LYS A 57 8.412 -0.595 -6.904 1.00 0.00 N ATOM 1909 CA LYS A 57 8.642 -0.520 -8.379 1.00 0.00 C ATOM 1910 C LYS A 57 9.976 0.163 -8.686 1.00 0.00 C ATOM 1911 O LYS A 57 10.785 0.394 -7.810 1.00 0.00 O ATOM 1912 CB LYS A 57 7.518 0.267 -9.032 1.00 0.00 C ATOM 1913 CG LYS A 57 7.319 1.577 -8.291 1.00 0.00 C ATOM 1914 CD LYS A 57 6.189 2.344 -8.964 1.00 0.00 C ATOM 1915 CE LYS A 57 5.953 3.669 -8.234 1.00 0.00 C ATOM 1916 NZ LYS A 57 4.763 4.353 -8.811 1.00 0.00 N ATOM 0 H LYS A 57 7.614 -0.057 -6.567 1.00 0.00 H new ATOM 0 HA LYS A 57 8.666 -1.535 -8.775 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.756 0.461 -10.078 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.596 -0.315 -9.017 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.078 1.388 -7.245 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.237 2.164 -8.306 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.437 2.533 -10.008 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.277 1.747 -8.956 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.800 3.487 -7.170 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.832 4.307 -8.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.605 5.253 -8.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.926 4.540 -9.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.926 3.745 -8.702 1.00 0.00 H new ATOM 1930 N VAL A 58 10.213 0.483 -9.931 1.00 0.00 N ATOM 1931 CA VAL A 58 11.493 1.143 -10.300 1.00 0.00 C ATOM 1932 C VAL A 58 11.607 2.476 -9.570 1.00 0.00 C ATOM 1933 O VAL A 58 10.638 3.192 -9.408 1.00 0.00 O ATOM 1934 CB VAL A 58 11.526 1.390 -11.812 1.00 0.00 C ATOM 1935 CG1 VAL A 58 11.378 0.060 -12.546 1.00 0.00 C ATOM 1936 CG2 VAL A 58 10.384 2.329 -12.224 1.00 0.00 C ATOM 0 H VAL A 58 9.573 0.314 -10.707 1.00 0.00 H new ATOM 0 HA VAL A 58 12.325 0.499 -10.017 1.00 0.00 H new ATOM 0 HB VAL A 58 12.477 1.854 -12.074 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.401 0.234 -13.622 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.198 -0.602 -12.268 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.429 -0.402 -12.274 1.00 0.00 H new ATOM 0 HG21 VAL A 58 10.420 2.495 -13.301 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.428 1.878 -11.958 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.492 3.282 -11.706 1.00 0.00 H new