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 48 LYS NZ :NH3+ -123:sc= -1.65! (180deg=-1.5!) USER MOD Set 1.2: A 52 GLN : amide:sc= -1.43! C(o=-3.1!,f=-13!) USER MOD Set 2.1: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 14 THR OG1 : rot 9:sc= 0.882 USER MOD Set 3.1: A 7 CYS SG : rot 159:sc= 0.629 USER MOD Set 3.2: A 10 CYS SG : rot -48:sc= -0.957 USER MOD Set 3.3: A 28 CYS SG : rot -123:sc= 1.11 USER MOD Set 3.4: A 31 CYS SG : rot 85:sc= -0.167 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 75:sc= 0.119 USER MOD Single : A 9 ASN : amide:sc= -3.84! C(o=-3.8!,f=-3.9!) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -135:sc= 0.842 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 21 SER OG : rot 180:sc= -0.153 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -3.88! C(o=-3.9!,f=-9.9!) 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+ 165:sc= -5.62! (180deg=-6.1!) USER MOD Single : A 38 HIS : no HD1:sc= -3.04! K(o=-3!,f=-1) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -1.7 K(o=-1.7,f=-8.1!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 55 ASN : amide:sc= -0.0409 K(o=-0.041,f=-1.1) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -5.602 9.493 14.670 1.00 0.00 N ATOM 1069 CA ALA A 3 -6.273 8.754 15.779 1.00 0.00 C ATOM 1070 C ALA A 3 -7.798 8.744 15.604 1.00 0.00 C ATOM 1071 O ALA A 3 -8.436 9.779 15.626 1.00 0.00 O ATOM 1072 CB ALA A 3 -5.932 9.467 17.091 1.00 0.00 C ATOM 0 HA ALA A 3 -5.925 7.721 15.780 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.410 8.948 17.922 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.852 9.466 17.236 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.291 10.495 17.050 1.00 0.00 H new ATOM 1078 N GLY A 4 -8.380 7.570 15.467 1.00 0.00 N ATOM 1079 CA GLY A 4 -9.875 7.451 15.329 1.00 0.00 C ATOM 1080 C GLY A 4 -10.312 7.613 13.867 1.00 0.00 C ATOM 1081 O GLY A 4 -11.465 7.411 13.525 1.00 0.00 O ATOM 0 H GLY A 4 -7.879 6.682 15.445 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.201 6.481 15.703 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.361 8.209 15.943 1.00 0.00 H new ATOM 1085 N THR A 5 -9.419 7.999 13.002 1.00 0.00 N ATOM 1086 CA THR A 5 -9.819 8.195 11.584 1.00 0.00 C ATOM 1087 C THR A 5 -10.276 6.882 10.987 1.00 0.00 C ATOM 1088 O THR A 5 -9.537 5.920 10.902 1.00 0.00 O ATOM 1089 CB THR A 5 -8.661 8.748 10.756 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.044 9.809 11.470 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.207 9.256 9.410 1.00 0.00 C ATOM 0 H THR A 5 -8.439 8.186 13.213 1.00 0.00 H new ATOM 0 HA THR A 5 -10.638 8.915 11.564 1.00 0.00 H new ATOM 0 HB THR A 5 -7.922 7.969 10.570 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.299 10.167 10.944 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.387 9.653 8.811 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.681 8.433 8.876 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.940 10.043 9.588 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.496 6.854 10.539 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.056 5.634 9.892 1.00 0.00 C ATOM 1101 C VAL A 6 -12.461 6.024 8.471 1.00 0.00 C ATOM 1102 O VAL A 6 -12.922 7.126 8.238 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.266 5.132 10.683 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.775 4.436 11.957 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.158 6.316 11.070 1.00 0.00 C ATOM 0 H VAL A 6 -12.144 7.640 10.594 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.322 4.829 9.869 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.837 4.434 10.071 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.631 4.075 12.527 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.136 3.594 11.689 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.208 5.143 12.562 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.018 5.955 11.633 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.590 7.014 11.684 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.501 6.823 10.168 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.276 5.161 7.512 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.644 5.526 6.115 1.00 0.00 C ATOM 1117 C CYS A 7 -14.152 5.649 5.983 1.00 0.00 C ATOM 1118 O CYS A 7 -14.889 4.702 6.164 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.125 4.463 5.151 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.574 4.916 3.454 1.00 0.00 S ATOM 0 H CYS A 7 -11.889 4.225 7.633 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.191 6.487 5.871 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.042 4.373 5.240 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.548 3.490 5.403 1.00 0.00 H new ATOM 0 HG CYS A 7 -11.789 4.302 2.619 1.00 0.00 H new ATOM 1125 N SER A 8 -14.620 6.814 5.652 1.00 0.00 N ATOM 1126 CA SER A 8 -16.078 7.010 5.498 1.00 0.00 C ATOM 1127 C SER A 8 -16.615 6.091 4.419 1.00 0.00 C ATOM 1128 O SER A 8 -17.696 5.555 4.538 1.00 0.00 O ATOM 1129 CB SER A 8 -16.352 8.454 5.107 1.00 0.00 C ATOM 1130 OG SER A 8 -15.909 9.295 6.158 1.00 0.00 O ATOM 0 H SER A 8 -14.050 7.643 5.481 1.00 0.00 H new ATOM 0 HA SER A 8 -16.571 6.780 6.443 1.00 0.00 H new ATOM 0 HB2 SER A 8 -15.834 8.701 4.180 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.417 8.602 4.926 1.00 0.00 H new ATOM 0 HG SER A 8 -14.931 9.348 6.144 1.00 0.00 H new ATOM 1136 N ASN A 9 -15.906 5.920 3.331 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.457 5.051 2.264 1.00 0.00 C ATOM 1138 C ASN A 9 -16.345 3.558 2.607 1.00 0.00 C ATOM 1139 O ASN A 9 -17.255 2.816 2.304 1.00 0.00 O ATOM 1140 CB ASN A 9 -15.718 5.342 0.953 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.139 6.721 0.450 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.178 7.220 0.826 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -15.376 7.376 -0.376 1.00 0.00 N ATOM 0 H ASN A 9 -14.993 6.335 3.144 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.519 5.275 2.163 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.640 5.310 1.112 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -15.953 4.580 0.209 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -15.654 8.302 -0.702 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.500 6.964 -0.697 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.262 3.079 3.210 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.181 1.595 3.503 1.00 0.00 C ATOM 1152 C CYS A 10 -14.830 1.303 4.967 1.00 0.00 C ATOM 1153 O CYS A 10 -14.557 0.174 5.314 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.183 0.912 2.551 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.469 1.250 3.044 1.00 0.00 S ATOM 0 H CYS A 10 -14.457 3.632 3.503 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.174 1.179 3.331 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.358 -0.164 2.548 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.348 1.265 1.533 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.322 2.524 3.256 1.00 0.00 H new ATOM 1160 N GLN A 11 -14.880 2.279 5.848 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.610 2.023 7.307 1.00 0.00 C ATOM 1162 C GLN A 11 -13.244 1.396 7.592 1.00 0.00 C ATOM 1163 O GLN A 11 -12.942 1.105 8.732 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.701 1.111 7.863 1.00 0.00 C ATOM 1165 CG GLN A 11 -17.055 1.793 7.707 1.00 0.00 C ATOM 1166 CD GLN A 11 -18.152 0.867 8.234 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -18.126 -0.321 7.991 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -19.116 1.362 8.962 1.00 0.00 N ATOM 0 H GLN A 11 -15.098 3.249 5.619 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.609 2.998 7.794 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.698 0.158 7.335 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.509 0.894 8.914 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -17.065 2.736 8.254 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.237 2.031 6.659 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -19.139 2.361 9.167 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -19.846 0.750 9.326 1.00 0.00 H new ATOM 1177 N THR A 12 -12.411 1.186 6.619 1.00 0.00 N ATOM 1178 CA THR A 12 -11.087 0.589 6.944 1.00 0.00 C ATOM 1179 C THR A 12 -10.323 1.590 7.822 1.00 0.00 C ATOM 1180 O THR A 12 -10.467 2.785 7.667 1.00 0.00 O ATOM 1181 CB THR A 12 -10.320 0.276 5.643 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.186 -0.531 5.943 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.858 1.569 4.955 1.00 0.00 C ATOM 0 H THR A 12 -12.579 1.395 5.635 1.00 0.00 H new ATOM 0 HA THR A 12 -11.203 -0.350 7.485 1.00 0.00 H new ATOM 0 HB THR A 12 -10.989 -0.257 4.967 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.699 -0.731 5.116 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.320 1.322 4.040 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.726 2.182 4.711 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.200 2.123 5.625 1.00 0.00 H new ATOM 1191 N SER A 13 -9.501 1.117 8.737 1.00 0.00 N ATOM 1192 CA SER A 13 -8.713 2.059 9.610 1.00 0.00 C ATOM 1193 C SER A 13 -7.264 1.994 9.151 1.00 0.00 C ATOM 1194 O SER A 13 -6.423 2.770 9.556 1.00 0.00 O ATOM 1195 CB SER A 13 -8.842 1.681 11.092 1.00 0.00 C ATOM 1196 OG SER A 13 -8.253 0.412 11.320 1.00 0.00 O ATOM 0 H SER A 13 -9.342 0.126 8.917 1.00 0.00 H new ATOM 0 HA SER A 13 -9.097 3.075 9.516 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.355 2.434 11.712 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.893 1.661 11.381 1.00 0.00 H new ATOM 0 HG SER A 13 -8.337 0.178 12.268 1.00 0.00 H new ATOM 1202 N THR A 14 -6.978 1.080 8.267 1.00 0.00 N ATOM 1203 CA THR A 14 -5.602 0.950 7.718 1.00 0.00 C ATOM 1204 C THR A 14 -5.572 1.646 6.355 1.00 0.00 C ATOM 1205 O THR A 14 -6.286 1.271 5.446 1.00 0.00 O ATOM 1206 CB THR A 14 -5.291 -0.531 7.530 1.00 0.00 C ATOM 1207 OG1 THR A 14 -6.200 -1.087 6.586 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.426 -1.251 8.869 1.00 0.00 C ATOM 0 H THR A 14 -7.650 0.408 7.897 1.00 0.00 H new ATOM 0 HA THR A 14 -4.870 1.398 8.390 1.00 0.00 H new ATOM 0 HB THR A 14 -4.272 -0.650 7.161 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.715 -0.367 6.165 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.204 -2.310 8.737 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.727 -0.820 9.586 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.444 -1.137 9.242 1.00 0.00 H new ATOM 1216 N THR A 15 -4.753 2.656 6.200 1.00 0.00 N ATOM 1217 CA THR A 15 -4.686 3.377 4.887 1.00 0.00 C ATOM 1218 C THR A 15 -3.253 3.834 4.633 1.00 0.00 C ATOM 1219 O THR A 15 -2.512 4.114 5.555 1.00 0.00 O ATOM 1220 CB THR A 15 -5.590 4.617 4.937 1.00 0.00 C ATOM 1221 OG1 THR A 15 -4.911 5.678 5.591 1.00 0.00 O ATOM 1222 CG2 THR A 15 -6.852 4.273 5.712 1.00 0.00 C ATOM 0 H THR A 15 -4.128 3.014 6.923 1.00 0.00 H new ATOM 0 HA THR A 15 -5.014 2.706 4.093 1.00 0.00 H new ATOM 0 HB THR A 15 -5.846 4.926 3.924 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.516 6.108 6.231 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.502 5.147 5.754 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.374 3.456 5.214 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.586 3.969 6.724 1.00 0.00 H new ATOM 1230 N THR A 16 -2.857 3.924 3.392 1.00 0.00 N ATOM 1231 CA THR A 16 -1.478 4.381 3.096 1.00 0.00 C ATOM 1232 C THR A 16 -1.454 5.903 3.245 1.00 0.00 C ATOM 1233 O THR A 16 -0.532 6.471 3.794 1.00 0.00 O ATOM 1234 CB THR A 16 -1.081 4.005 1.670 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.766 4.857 0.762 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.423 2.536 1.348 1.00 0.00 C ATOM 0 H THR A 16 -3.429 3.701 2.577 1.00 0.00 H new ATOM 0 HA THR A 16 -0.774 3.907 3.780 1.00 0.00 H new ATOM 0 HB THR A 16 -0.002 4.125 1.574 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.516 4.624 -0.157 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.125 2.309 0.324 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.890 1.879 2.035 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.496 2.380 1.456 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.488 6.564 2.784 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.561 8.053 2.924 1.00 0.00 C ATOM 1246 C LEU A 17 -4.021 8.430 3.159 1.00 0.00 C ATOM 1247 O LEU A 17 -4.894 8.033 2.416 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.031 8.752 1.652 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.413 10.123 2.006 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.155 9.948 2.893 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.047 10.876 0.704 1.00 0.00 C ATOM 0 H LEU A 17 -3.287 6.136 2.316 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.941 8.377 3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.283 8.123 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.844 8.886 0.938 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.145 10.703 2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.263 10.927 3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.429 9.438 3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.588 9.356 2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.611 11.843 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.326 10.289 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.946 11.027 0.106 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.306 9.195 4.177 1.00 0.00 N ATOM 1264 CA TRP A 18 -5.717 9.589 4.433 1.00 0.00 C ATOM 1265 C TRP A 18 -6.129 10.677 3.433 1.00 0.00 C ATOM 1266 O TRP A 18 -5.433 11.650 3.233 1.00 0.00 O ATOM 1267 CB TRP A 18 -5.838 10.125 5.870 1.00 0.00 C ATOM 1268 CG TRP A 18 -5.854 8.968 6.845 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -4.842 8.631 7.690 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -6.912 7.979 7.075 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.220 7.513 8.429 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.488 7.076 8.085 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.183 7.785 6.516 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.302 6.023 8.515 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.001 6.726 6.945 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.562 5.851 7.938 1.00 0.00 C ATOM 0 H TRP A 18 -3.624 9.563 4.840 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.372 8.726 4.313 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.003 10.789 6.092 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -6.750 10.713 5.974 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.897 9.148 7.774 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -4.634 7.070 9.137 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.537 8.456 5.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -6.959 5.349 9.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -9.977 6.589 6.502 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.197 5.039 8.261 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.245 10.506 2.780 1.00 0.00 N ATOM 1288 CA ARG A 19 -7.709 11.511 1.769 1.00 0.00 C ATOM 1289 C ARG A 19 -9.050 12.126 2.193 1.00 0.00 C ATOM 1290 O ARG A 19 -10.001 11.423 2.453 1.00 0.00 O ATOM 1291 CB ARG A 19 -7.916 10.772 0.431 1.00 0.00 C ATOM 1292 CG ARG A 19 -6.572 10.616 -0.314 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.176 11.942 -0.986 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.304 11.682 -2.175 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.236 10.934 -2.108 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.767 10.529 -0.963 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.596 10.656 -3.209 1.00 0.00 N ATOM 0 H ARG A 19 -7.865 9.706 2.902 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.968 12.306 1.681 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.353 9.790 0.615 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.621 11.324 -0.191 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.794 10.309 0.385 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.654 9.830 -1.065 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.071 12.483 -1.294 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.650 12.576 -0.272 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.553 12.104 -3.069 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.235 10.796 -0.097 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.931 9.945 -0.932 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.932 11.021 -4.100 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.759 10.073 -3.179 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.169 13.425 2.250 1.00 0.00 N ATOM 1312 CA ARG A 20 -10.490 13.999 2.625 1.00 0.00 C ATOM 1313 C ARG A 20 -11.381 13.912 1.387 1.00 0.00 C ATOM 1314 O ARG A 20 -10.929 14.115 0.277 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.346 15.469 3.031 1.00 0.00 C ATOM 1316 CG ARG A 20 -9.459 15.602 4.283 1.00 0.00 C ATOM 1317 CD ARG A 20 -10.275 15.311 5.550 1.00 0.00 C ATOM 1318 NE ARG A 20 -9.460 15.645 6.772 1.00 0.00 N ATOM 1319 CZ ARG A 20 -8.317 15.067 7.021 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -7.895 14.076 6.284 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -7.610 15.473 8.029 1.00 0.00 N ATOM 0 H ARG A 20 -8.428 14.099 2.058 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.911 13.452 3.468 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.912 16.038 2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.330 15.895 3.229 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.619 14.910 4.217 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.041 16.607 4.335 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.194 15.897 5.544 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.566 14.261 5.572 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.813 16.345 7.425 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.461 13.745 5.503 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.000 13.633 6.489 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.949 16.235 8.616 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.715 15.030 8.235 1.00 0.00 H new ATOM 1335 N SER A 21 -12.640 13.626 1.560 1.00 0.00 N ATOM 1336 CA SER A 21 -13.555 13.532 0.386 1.00 0.00 C ATOM 1337 C SER A 21 -14.178 14.919 0.141 1.00 0.00 C ATOM 1338 O SER A 21 -14.266 15.729 1.037 1.00 0.00 O ATOM 1339 CB SER A 21 -14.662 12.497 0.660 1.00 0.00 C ATOM 1340 OG SER A 21 -15.903 12.996 0.187 1.00 0.00 O ATOM 0 H SER A 21 -13.077 13.453 2.465 1.00 0.00 H new ATOM 0 HA SER A 21 -12.998 13.213 -0.495 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.424 11.555 0.166 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.725 12.290 1.728 1.00 0.00 H new ATOM 0 HG SER A 21 -16.608 12.337 0.360 1.00 0.00 H new ATOM 1346 N PRO A 22 -14.614 15.192 -1.060 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.237 16.516 -1.367 1.00 0.00 C ATOM 1348 C PRO A 22 -16.361 16.903 -0.370 1.00 0.00 C ATOM 1349 O PRO A 22 -16.740 18.051 -0.253 1.00 0.00 O ATOM 1350 CB PRO A 22 -15.795 16.283 -2.794 1.00 0.00 C ATOM 1351 CG PRO A 22 -15.439 14.843 -3.242 1.00 0.00 C ATOM 1352 CD PRO A 22 -14.516 14.219 -2.191 1.00 0.00 C ATOM 0 HA PRO A 22 -14.533 17.345 -1.290 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -16.876 16.425 -2.804 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -15.372 17.009 -3.488 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.344 14.246 -3.352 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.948 14.860 -4.215 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -14.847 13.222 -1.899 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.493 14.121 -2.555 1.00 0.00 H new ATOM 1360 N MET A 23 -16.899 15.939 0.325 1.00 0.00 N ATOM 1361 CA MET A 23 -18.003 16.215 1.296 1.00 0.00 C ATOM 1362 C MET A 23 -17.417 16.472 2.689 1.00 0.00 C ATOM 1363 O MET A 23 -18.073 17.021 3.556 1.00 0.00 O ATOM 1364 CB MET A 23 -18.923 14.993 1.331 1.00 0.00 C ATOM 1365 CG MET A 23 -20.111 15.229 2.264 1.00 0.00 C ATOM 1366 SD MET A 23 -21.117 16.591 1.632 1.00 0.00 S ATOM 1367 CE MET A 23 -21.967 16.975 3.180 1.00 0.00 C ATOM 0 H MET A 23 -16.620 14.960 0.263 1.00 0.00 H new ATOM 0 HA MET A 23 -18.565 17.098 0.990 1.00 0.00 H new ATOM 0 HB2 MET A 23 -19.283 14.775 0.325 1.00 0.00 H new ATOM 0 HB3 MET A 23 -18.362 14.120 1.664 1.00 0.00 H new ATOM 0 HG2 MET A 23 -20.713 14.323 2.339 1.00 0.00 H new ATOM 0 HG3 MET A 23 -19.757 15.461 3.269 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.655 17.806 3.021 1.00 0.00 H new ATOM 0 HE2 MET A 23 -22.525 16.101 3.515 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.234 17.251 3.939 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.185 16.075 2.917 1.00 0.00 N ATOM 1378 CA GLY A 24 -15.554 16.285 4.259 1.00 0.00 C ATOM 1379 C GLY A 24 -15.628 14.986 5.067 1.00 0.00 C ATOM 1380 O GLY A 24 -15.651 14.999 6.279 1.00 0.00 O ATOM 0 H GLY A 24 -15.590 15.614 2.229 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.515 16.593 4.140 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.065 17.087 4.792 1.00 0.00 H new ATOM 1384 N ASP A 25 -15.679 13.870 4.397 1.00 0.00 N ATOM 1385 CA ASP A 25 -15.769 12.557 5.087 1.00 0.00 C ATOM 1386 C ASP A 25 -14.423 11.820 4.925 1.00 0.00 C ATOM 1387 O ASP A 25 -14.070 11.434 3.827 1.00 0.00 O ATOM 1388 CB ASP A 25 -16.880 11.740 4.413 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.130 12.607 4.249 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.177 13.673 4.845 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.025 12.185 3.537 1.00 0.00 O ATOM 0 H ASP A 25 -15.662 13.813 3.379 1.00 0.00 H new ATOM 0 HA ASP A 25 -15.989 12.690 6.146 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.543 11.383 3.440 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.112 10.860 5.012 1.00 0.00 H new ATOM 1396 N PRO A 26 -13.648 11.627 5.977 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.342 10.934 5.824 1.00 0.00 C ATOM 1398 C PRO A 26 -12.457 9.626 5.025 1.00 0.00 C ATOM 1399 O PRO A 26 -13.263 8.775 5.336 1.00 0.00 O ATOM 1400 CB PRO A 26 -11.941 10.677 7.285 1.00 0.00 C ATOM 1401 CG PRO A 26 -12.748 11.642 8.161 1.00 0.00 C ATOM 1402 CD PRO A 26 -13.990 12.068 7.366 1.00 0.00 C ATOM 0 HA PRO A 26 -11.612 11.516 5.261 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.147 9.643 7.563 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -10.872 10.837 7.423 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.038 11.159 9.094 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.147 12.512 8.426 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -14.894 11.584 7.735 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.159 13.143 7.421 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.621 9.460 4.019 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.633 8.193 3.209 1.00 0.00 C ATOM 1412 C VAL A 27 -10.209 7.659 3.090 1.00 0.00 C ATOM 1413 O VAL A 27 -9.251 8.391 3.241 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.233 8.398 1.803 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -13.758 8.459 1.905 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.690 9.680 1.154 1.00 0.00 C ATOM 0 H VAL A 27 -10.930 10.150 3.724 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.268 7.474 3.727 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.944 7.557 1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.184 8.604 0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.132 7.526 2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.047 9.290 2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.129 9.801 0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.949 10.539 1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.606 9.611 1.064 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.058 6.385 2.806 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.694 5.812 2.667 1.00 0.00 C ATOM 1428 C CYS A 28 -8.179 6.129 1.260 1.00 0.00 C ATOM 1429 O CYS A 28 -8.949 6.387 0.357 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.715 4.289 2.942 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.596 3.367 1.651 1.00 0.00 S ATOM 0 H CYS A 28 -10.823 5.725 2.666 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.020 6.255 3.400 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.691 3.921 3.014 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.189 4.103 3.906 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.566 2.688 2.188 1.00 0.00 H new ATOM 1436 N ASN A 29 -6.890 6.165 1.077 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.331 6.528 -0.261 1.00 0.00 C ATOM 1438 C ASN A 29 -6.983 5.716 -1.377 1.00 0.00 C ATOM 1439 O ASN A 29 -7.175 6.210 -2.471 1.00 0.00 O ATOM 1440 CB ASN A 29 -4.831 6.244 -0.272 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.211 6.750 -1.583 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.853 6.732 -2.619 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -2.982 7.202 -1.589 1.00 0.00 N ATOM 0 H ASN A 29 -6.195 5.959 1.795 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.531 7.586 -0.434 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.354 6.732 0.578 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.654 5.174 -0.166 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.566 7.537 -2.458 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.441 7.219 -0.725 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.308 4.479 -1.137 1.00 0.00 N ATOM 1451 CA ALA A 30 -7.928 3.654 -2.217 1.00 0.00 C ATOM 1452 C ALA A 30 -9.341 4.169 -2.568 1.00 0.00 C ATOM 1453 O ALA A 30 -9.632 4.458 -3.711 1.00 0.00 O ATOM 1454 CB ALA A 30 -7.986 2.210 -1.744 1.00 0.00 C ATOM 0 H ALA A 30 -7.174 4.002 -0.246 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.325 3.726 -3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.436 1.591 -2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.977 1.854 -1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.587 2.148 -0.836 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.228 4.274 -1.611 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.614 4.758 -1.934 1.00 0.00 C ATOM 1462 C CYS A 31 -11.561 6.111 -2.634 1.00 0.00 C ATOM 1463 O CYS A 31 -12.318 6.384 -3.529 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.420 4.970 -0.652 1.00 0.00 C ATOM 1465 SG CYS A 31 -12.927 3.394 0.051 1.00 0.00 S ATOM 0 H CYS A 31 -10.060 4.050 -0.630 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.075 4.003 -2.571 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.821 5.521 0.073 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.299 5.578 -0.866 1.00 0.00 H new ATOM 0 HG CYS A 31 -11.968 2.919 0.789 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.705 6.971 -2.202 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.663 8.322 -2.812 1.00 0.00 C ATOM 1472 C GLY A 32 -10.376 8.232 -4.300 1.00 0.00 C ATOM 1473 O GLY A 32 -11.063 8.818 -5.108 1.00 0.00 O ATOM 0 H GLY A 32 -10.031 6.805 -1.455 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.614 8.829 -2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.895 8.923 -2.324 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.363 7.512 -4.675 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.034 7.404 -6.121 1.00 0.00 C ATOM 1479 C LEU A 33 -10.138 6.670 -6.879 1.00 0.00 C ATOM 1480 O LEU A 33 -10.627 7.148 -7.883 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.736 6.624 -6.266 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.598 7.352 -5.545 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.425 6.386 -5.339 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.136 8.564 -6.370 1.00 0.00 C ATOM 0 H LEU A 33 -8.749 6.994 -4.047 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.935 8.407 -6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.857 5.623 -5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.491 6.505 -7.321 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.955 7.703 -4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.614 6.903 -4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.753 5.538 -4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.073 6.029 -6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.327 9.073 -5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.783 8.227 -7.345 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.971 9.252 -6.504 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.541 5.520 -6.431 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.615 4.809 -7.171 1.00 0.00 C ATOM 1498 C TYR A 34 -12.878 5.668 -7.194 1.00 0.00 C ATOM 1499 O TYR A 34 -13.540 5.770 -8.204 1.00 0.00 O ATOM 1500 CB TYR A 34 -11.947 3.478 -6.508 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.059 2.814 -7.287 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -12.846 2.405 -8.609 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -14.306 2.614 -6.687 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -13.880 1.789 -9.322 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -15.338 1.999 -7.398 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.124 1.589 -8.719 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.138 0.984 -9.421 1.00 0.00 O ATOM 0 H TYR A 34 -10.183 5.047 -5.601 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.260 4.624 -8.185 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.066 2.837 -6.486 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.252 3.637 -5.474 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.886 2.565 -9.077 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -14.471 2.937 -5.670 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.716 1.468 -10.340 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -16.298 1.840 -6.930 1.00 0.00 H new ATOM 0 HH TYR A 34 -16.935 0.921 -8.855 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.223 6.264 -6.080 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.456 7.095 -6.028 1.00 0.00 C ATOM 1519 C TYR A 35 -14.327 8.265 -7.010 1.00 0.00 C ATOM 1520 O TYR A 35 -15.228 8.575 -7.739 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.663 7.630 -4.603 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.084 8.099 -4.449 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.423 9.391 -4.837 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.059 7.243 -3.911 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -17.738 9.845 -4.692 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.373 7.687 -3.768 1.00 0.00 C ATOM 1527 CZ TYR A 35 -18.717 8.995 -4.153 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.016 9.447 -4.005 1.00 0.00 O ATOM 0 H TYR A 35 -12.701 6.209 -5.206 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.315 6.485 -6.306 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.445 6.850 -3.874 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -13.974 8.451 -4.407 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -15.670 10.045 -5.251 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.791 6.242 -3.608 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.000 10.848 -4.994 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.126 7.027 -3.362 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.568 8.735 -3.619 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.209 8.917 -7.045 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.048 10.055 -7.996 1.00 0.00 C ATOM 1540 C LYS A 36 -13.231 9.554 -9.436 1.00 0.00 C ATOM 1541 O LYS A 36 -13.871 10.200 -10.241 1.00 0.00 O ATOM 1542 CB LYS A 36 -11.637 10.612 -7.811 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.364 11.766 -8.764 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.020 12.403 -8.376 1.00 0.00 C ATOM 1545 CE LYS A 36 -8.884 11.370 -8.486 1.00 0.00 C ATOM 1546 NZ LYS A 36 -9.101 10.516 -9.692 1.00 0.00 N ATOM 0 H LYS A 36 -12.397 8.718 -6.461 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.791 10.829 -7.805 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.510 10.950 -6.783 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.907 9.820 -7.978 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.332 11.409 -9.793 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.165 12.503 -8.707 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.812 13.252 -9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.073 12.787 -7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.922 11.878 -8.555 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.853 10.751 -7.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.226 9.998 -9.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.867 9.838 -9.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.361 11.116 -10.500 1.00 0.00 H new ATOM 1560 N LEU A 37 -12.678 8.417 -9.771 1.00 0.00 N ATOM 1561 CA LEU A 37 -12.831 7.896 -11.163 1.00 0.00 C ATOM 1562 C LEU A 37 -14.273 7.433 -11.437 1.00 0.00 C ATOM 1563 O LEU A 37 -14.807 7.705 -12.489 1.00 0.00 O ATOM 1564 CB LEU A 37 -11.879 6.711 -11.373 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.517 7.193 -11.892 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -9.958 8.297 -10.995 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.564 6.004 -11.894 1.00 0.00 C ATOM 0 H LEU A 37 -12.129 7.829 -9.144 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.592 8.706 -11.852 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.746 6.174 -10.434 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.316 6.009 -12.083 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.630 7.598 -12.898 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.992 8.625 -11.380 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.649 9.140 -10.982 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.834 7.915 -9.982 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.587 6.321 -12.259 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.464 5.616 -10.880 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.958 5.223 -12.544 1.00 0.00 H new ATOM 1579 N HIS A 38 -14.888 6.690 -10.536 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.281 6.171 -10.807 1.00 0.00 C ATOM 1581 C HIS A 38 -17.329 6.753 -9.840 1.00 0.00 C ATOM 1582 O HIS A 38 -18.501 6.439 -9.943 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.257 4.650 -10.671 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.221 4.096 -11.608 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.521 3.695 -12.903 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -13.872 3.896 -11.456 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.374 3.286 -13.477 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.337 3.387 -12.637 1.00 0.00 N ATOM 0 H HIS A 38 -14.493 6.422 -9.635 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.569 6.479 -11.812 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -16.027 4.367 -9.644 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.237 4.235 -10.904 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.310 4.102 -10.557 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.300 2.921 -14.491 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -12.364 3.144 -12.822 1.00 0.00 H new ATOM 1596 N GLN A 39 -16.946 7.603 -8.924 1.00 0.00 N ATOM 1597 CA GLN A 39 -17.918 8.225 -7.960 1.00 0.00 C ATOM 1598 C GLN A 39 -19.036 7.262 -7.546 1.00 0.00 C ATOM 1599 O GLN A 39 -20.201 7.601 -7.530 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.460 9.541 -8.528 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.252 9.299 -9.807 1.00 0.00 C ATOM 1602 CD GLN A 39 -19.824 10.638 -10.275 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -19.087 11.506 -10.695 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -21.108 10.846 -10.205 1.00 0.00 N ATOM 0 H GLN A 39 -15.979 7.902 -8.796 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.377 8.452 -7.041 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -19.097 10.026 -7.788 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -17.633 10.221 -8.731 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -18.610 8.870 -10.576 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -20.055 8.584 -9.627 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.725 10.114 -9.852 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.497 11.740 -10.504 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.677 6.070 -7.152 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.682 5.084 -6.671 1.00 0.00 C ATOM 1615 C VAL A 40 -19.080 4.327 -5.487 1.00 0.00 C ATOM 1616 O VAL A 40 -17.878 4.205 -5.365 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.033 4.094 -7.772 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -20.930 4.768 -8.815 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -18.752 3.590 -8.432 1.00 0.00 C ATOM 0 H VAL A 40 -17.714 5.734 -7.144 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.591 5.608 -6.376 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.570 3.250 -7.340 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.177 4.053 -9.600 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.847 5.113 -8.338 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.406 5.618 -9.251 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.004 2.881 -9.221 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.208 4.432 -8.861 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.128 3.097 -7.686 1.00 0.00 H new ATOM 1629 N ASN A 41 -19.898 3.817 -4.612 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.356 3.070 -3.433 1.00 0.00 C ATOM 1631 C ASN A 41 -19.089 1.616 -3.841 1.00 0.00 C ATOM 1632 O ASN A 41 -19.959 0.940 -4.359 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.366 3.095 -2.277 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.723 2.618 -2.793 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -21.866 2.323 -3.964 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.731 2.515 -1.970 1.00 0.00 N ATOM 0 H ASN A 41 -20.915 3.882 -4.657 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.431 3.544 -3.104 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.025 2.453 -1.465 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.450 4.104 -1.872 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.635 2.188 -2.310 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.614 2.762 -0.987 1.00 0.00 H new ATOM 1643 N ARG A 42 -17.889 1.139 -3.628 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.539 -0.261 -4.019 1.00 0.00 C ATOM 1645 C ARG A 42 -17.822 -1.234 -2.848 1.00 0.00 C ATOM 1646 O ARG A 42 -17.728 -0.849 -1.702 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.052 -0.295 -4.370 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.223 -0.050 -3.106 1.00 0.00 C ATOM 1649 CD ARG A 42 -13.751 0.248 -3.470 1.00 0.00 C ATOM 1650 NE ARG A 42 -12.843 -0.560 -2.598 1.00 0.00 N ATOM 1651 CZ ARG A 42 -12.993 -0.582 -1.303 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -13.921 0.134 -0.729 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -12.223 -1.335 -0.570 1.00 0.00 N ATOM 0 H ARG A 42 -17.129 1.665 -3.196 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.142 -0.571 -4.873 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -15.793 -1.259 -4.807 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -15.827 0.465 -5.118 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.641 0.787 -2.547 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.273 -0.924 -2.457 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.570 0.011 -4.518 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.543 1.310 -3.343 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.093 -1.104 -3.024 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.537 0.718 -1.294 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.030 0.110 0.285 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.502 -1.908 -1.009 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.341 -1.352 0.443 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.153 -2.485 -3.122 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.430 -3.472 -2.033 1.00 0.00 C ATOM 1669 C PRO A 43 -17.205 -3.727 -1.129 1.00 0.00 C ATOM 1670 O PRO A 43 -16.076 -3.638 -1.561 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.819 -4.742 -2.830 1.00 0.00 C ATOM 1672 CG PRO A 43 -18.494 -4.507 -4.316 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.281 -3.004 -4.519 1.00 0.00 C ATOM 0 HA PRO A 43 -19.198 -3.129 -1.340 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -18.271 -5.607 -2.455 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -19.880 -4.958 -2.704 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -17.601 -5.061 -4.603 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -19.308 -4.866 -4.946 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -17.387 -2.800 -5.108 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.119 -2.546 -5.044 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.432 -4.036 0.120 1.00 0.00 N ATOM 1682 CA LEU A 44 -16.294 -4.290 1.057 1.00 0.00 C ATOM 1683 C LEU A 44 -15.557 -5.560 0.643 1.00 0.00 C ATOM 1684 O LEU A 44 -14.507 -5.879 1.166 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.832 -4.432 2.484 1.00 0.00 C ATOM 1686 CG LEU A 44 -17.390 -3.074 2.954 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -18.473 -3.289 4.013 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.268 -2.213 3.564 1.00 0.00 C ATOM 0 H LEU A 44 -18.360 -4.124 0.535 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.597 -3.453 1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.614 -5.191 2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -16.038 -4.764 3.153 1.00 0.00 H new ATOM 0 HG LEU A 44 -17.813 -2.563 2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.861 -2.324 4.338 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -19.284 -3.881 3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.047 -3.816 4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.679 -1.258 3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -15.834 -2.733 4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.495 -2.038 2.815 1.00 0.00 H new ATOM 1700 N THR A 45 -16.083 -6.293 -0.291 1.00 0.00 N ATOM 1701 CA THR A 45 -15.369 -7.535 -0.715 1.00 0.00 C ATOM 1702 C THR A 45 -13.963 -7.137 -1.196 1.00 0.00 C ATOM 1703 O THR A 45 -13.115 -7.979 -1.418 1.00 0.00 O ATOM 1704 CB THR A 45 -16.129 -8.246 -1.856 1.00 0.00 C ATOM 1705 OG1 THR A 45 -16.215 -7.382 -2.982 1.00 0.00 O ATOM 1706 CG2 THR A 45 -17.539 -8.619 -1.395 1.00 0.00 C ATOM 0 H THR A 45 -16.959 -6.097 -0.775 1.00 0.00 H new ATOM 0 HA THR A 45 -15.308 -8.225 0.126 1.00 0.00 H new ATOM 0 HB THR A 45 -15.590 -9.153 -2.129 1.00 0.00 H new ATOM 0 HG1 THR A 45 -16.696 -7.835 -3.706 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.067 -9.120 -2.207 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.476 -9.287 -0.536 1.00 0.00 H new ATOM 0 HG23 THR A 45 -18.080 -7.716 -1.113 1.00 0.00 H new ATOM 1714 N MET A 46 -13.701 -5.851 -1.352 1.00 0.00 N ATOM 1715 CA MET A 46 -12.341 -5.410 -1.808 1.00 0.00 C ATOM 1716 C MET A 46 -11.527 -4.911 -0.601 1.00 0.00 C ATOM 1717 O MET A 46 -10.349 -4.637 -0.699 1.00 0.00 O ATOM 1718 CB MET A 46 -12.490 -4.277 -2.826 1.00 0.00 C ATOM 1719 CG MET A 46 -11.178 -4.076 -3.586 1.00 0.00 C ATOM 1720 SD MET A 46 -11.480 -2.985 -4.997 1.00 0.00 S ATOM 1721 CE MET A 46 -9.916 -3.270 -5.861 1.00 0.00 C ATOM 0 H MET A 46 -14.367 -5.097 -1.184 1.00 0.00 H new ATOM 0 HA MET A 46 -11.823 -6.251 -2.269 1.00 0.00 H new ATOM 0 HB2 MET A 46 -13.292 -4.510 -3.526 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.769 -3.355 -2.317 1.00 0.00 H new ATOM 0 HG2 MET A 46 -10.424 -3.642 -2.929 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.789 -5.035 -3.928 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.894 -2.680 -6.777 1.00 0.00 H new ATOM 0 HE2 MET A 46 -9.086 -2.974 -5.219 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.824 -4.328 -6.108 1.00 0.00 H new ATOM 1731 N ARG A 47 -12.159 -4.776 0.535 1.00 0.00 N ATOM 1732 CA ARG A 47 -11.456 -4.286 1.757 1.00 0.00 C ATOM 1733 C ARG A 47 -10.722 -5.432 2.456 1.00 0.00 C ATOM 1734 O ARG A 47 -11.227 -6.531 2.567 1.00 0.00 O ATOM 1735 CB ARG A 47 -12.487 -3.659 2.693 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.848 -3.306 4.027 1.00 0.00 C ATOM 1737 CD ARG A 47 -12.840 -2.466 4.828 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.298 -2.194 6.197 1.00 0.00 N ATOM 1739 CZ ARG A 47 -11.983 -3.159 7.015 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -12.313 -4.386 6.754 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -11.367 -2.889 8.128 1.00 0.00 N ATOM 0 H ARG A 47 -13.148 -4.988 0.670 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.711 -3.541 1.477 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.906 -2.763 2.235 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.313 -4.352 2.851 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.589 -4.212 4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.922 -2.752 3.870 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.032 -1.526 4.311 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.793 -2.989 4.903 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.172 -1.228 6.498 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -12.825 -4.606 5.900 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.060 -5.131 7.403 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.131 -1.924 8.359 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.120 -3.642 8.770 1.00 0.00 H new ATOM 1755 N LYS A 48 -9.536 -5.168 2.938 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.736 -6.220 3.649 1.00 0.00 C ATOM 1757 C LYS A 48 -8.164 -5.596 4.928 1.00 0.00 C ATOM 1758 O LYS A 48 -8.088 -4.386 5.048 1.00 0.00 O ATOM 1759 CB LYS A 48 -7.596 -6.711 2.742 1.00 0.00 C ATOM 1760 CG LYS A 48 -8.175 -7.470 1.538 1.00 0.00 C ATOM 1761 CD LYS A 48 -7.083 -8.328 0.882 1.00 0.00 C ATOM 1762 CE LYS A 48 -5.905 -7.454 0.447 1.00 0.00 C ATOM 1763 NZ LYS A 48 -4.948 -8.272 -0.353 1.00 0.00 N ATOM 0 H LYS A 48 -9.079 -4.259 2.871 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.366 -7.074 3.898 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.003 -5.864 2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.926 -7.361 3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.002 -8.103 1.860 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.579 -6.764 0.813 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.740 -9.089 1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.493 -8.852 0.019 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.263 -6.611 -0.145 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.403 -7.040 1.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.007 -8.236 0.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.278 -9.258 -0.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.891 -7.893 -1.320 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.787 -6.395 5.894 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.261 -5.812 7.165 1.00 0.00 C ATOM 1779 C ASP A 49 -5.924 -5.095 6.930 1.00 0.00 C ATOM 1780 O ASP A 49 -5.843 -3.883 6.966 1.00 0.00 O ATOM 1781 CB ASP A 49 -7.085 -6.923 8.213 1.00 0.00 C ATOM 1782 CG ASP A 49 -8.462 -7.466 8.635 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -9.203 -6.725 9.274 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -8.757 -8.607 8.324 1.00 0.00 O ATOM 0 H ASP A 49 -7.820 -7.414 5.859 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.980 -5.079 7.531 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.476 -7.729 7.803 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.555 -6.534 9.083 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.870 -5.826 6.726 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.541 -5.170 6.526 1.00 0.00 C ATOM 1791 C GLY A 50 -3.477 -4.444 5.174 1.00 0.00 C ATOM 1792 O GLY A 50 -4.347 -4.578 4.335 1.00 0.00 O ATOM 0 H GLY A 50 -4.864 -6.845 6.688 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.358 -4.459 7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.751 -5.920 6.577 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.413 -3.697 4.952 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.230 -2.979 3.663 1.00 0.00 C ATOM 1798 C ILE A 51 -1.430 -3.868 2.700 1.00 0.00 C ATOM 1799 O ILE A 51 -0.491 -4.530 3.088 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.480 -1.667 3.912 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.238 -0.869 4.987 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.416 -0.870 2.596 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.779 0.586 4.993 1.00 0.00 C ATOM 0 H ILE A 51 -1.659 -3.559 5.625 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.201 -2.754 3.223 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.464 -1.861 4.256 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.310 -0.918 4.797 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.068 -1.315 5.967 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.884 0.066 2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.892 -1.456 1.841 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.427 -0.656 2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.325 1.137 5.759 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.711 0.630 5.206 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.973 1.033 4.018 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.786 -3.866 1.448 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.034 -4.686 0.454 1.00 0.00 C ATOM 1817 C GLN A 52 0.240 -3.945 0.049 1.00 0.00 C ATOM 1818 O GLN A 52 0.303 -2.735 0.104 1.00 0.00 O ATOM 1819 CB GLN A 52 -1.899 -4.922 -0.789 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.045 -5.877 -0.464 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.031 -5.912 -1.634 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.097 -6.885 -2.360 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -4.801 -4.876 -1.847 1.00 0.00 N ATOM 0 H GLN A 52 -2.567 -3.332 1.067 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.778 -5.647 0.901 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.298 -3.973 -1.148 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.289 -5.335 -1.592 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.656 -6.877 -0.273 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.554 -5.555 0.444 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.742 -4.062 -1.235 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.461 -4.882 -2.625 1.00 0.00 H new ATOM 1832 N THR A 53 1.261 -4.664 -0.336 1.00 0.00 N ATOM 1833 CA THR A 53 2.542 -4.007 -0.737 1.00 0.00 C ATOM 1834 C THR A 53 3.099 -4.682 -1.989 1.00 0.00 C ATOM 1835 O THR A 53 2.767 -5.798 -2.325 1.00 0.00 O ATOM 1836 CB THR A 53 3.571 -4.120 0.392 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.876 -4.156 -0.168 1.00 0.00 O ATOM 1838 CG2 THR A 53 3.327 -5.394 1.184 1.00 0.00 C ATOM 0 H THR A 53 1.264 -5.683 -0.391 1.00 0.00 H new ATOM 0 HA THR A 53 2.345 -2.955 -0.942 1.00 0.00 H new ATOM 0 HB THR A 53 3.477 -3.261 1.056 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.539 -4.227 0.551 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.061 -5.470 1.986 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.324 -5.371 1.611 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.420 -6.256 0.524 1.00 0.00 H new ATOM 1846 N ARG A 54 3.955 -3.991 -2.678 1.00 0.00 N ATOM 1847 CA ARG A 54 4.565 -4.547 -3.928 1.00 0.00 C ATOM 1848 C ARG A 54 6.035 -4.137 -3.983 1.00 0.00 C ATOM 1849 O ARG A 54 6.505 -3.357 -3.176 1.00 0.00 O ATOM 1850 CB ARG A 54 3.820 -3.993 -5.158 1.00 0.00 C ATOM 1851 CG ARG A 54 2.402 -4.598 -5.240 1.00 0.00 C ATOM 1852 CD ARG A 54 2.459 -6.088 -5.643 1.00 0.00 C ATOM 1853 NE ARG A 54 2.415 -6.936 -4.421 1.00 0.00 N ATOM 1854 CZ ARG A 54 2.112 -8.194 -4.517 1.00 0.00 C ATOM 1855 NH1 ARG A 54 1.900 -8.719 -5.691 1.00 0.00 N ATOM 1856 NH2 ARG A 54 2.018 -8.915 -3.426 1.00 0.00 N ATOM 0 H ARG A 54 4.267 -3.052 -2.432 1.00 0.00 H new ATOM 0 HA ARG A 54 4.487 -5.634 -3.928 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.757 -2.907 -5.095 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.376 -4.228 -6.065 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.903 -4.497 -4.276 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.807 -4.044 -5.966 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.622 -6.331 -6.297 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.371 -6.289 -6.205 1.00 0.00 H new ATOM 0 HE ARG A 54 2.623 -6.529 -3.509 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.973 -8.141 -6.529 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.662 -9.707 -5.772 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.182 -8.486 -2.515 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.780 -9.905 -3.488 1.00 0.00 H new ATOM 1870 N ASN A 55 6.770 -4.647 -4.931 1.00 0.00 N ATOM 1871 CA ASN A 55 8.197 -4.262 -5.029 1.00 0.00 C ATOM 1872 C ASN A 55 8.270 -2.755 -5.289 1.00 0.00 C ATOM 1873 O ASN A 55 7.511 -2.202 -6.058 1.00 0.00 O ATOM 1874 CB ASN A 55 8.849 -5.047 -6.161 1.00 0.00 C ATOM 1875 CG ASN A 55 8.925 -6.518 -5.755 1.00 0.00 C ATOM 1876 OD1 ASN A 55 9.199 -6.830 -4.612 1.00 0.00 O ATOM 1877 ND2 ASN A 55 8.674 -7.445 -6.640 1.00 0.00 N ATOM 0 H ASN A 55 6.444 -5.309 -5.635 1.00 0.00 H new ATOM 0 HA ASN A 55 8.729 -4.490 -4.106 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.271 -4.937 -7.079 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.847 -4.659 -6.364 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.708 -8.429 -6.372 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.444 -7.185 -7.599 1.00 0.00 H new ATOM 1884 N ARG A 56 9.158 -2.084 -4.612 1.00 0.00 N ATOM 1885 CA ARG A 56 9.277 -0.601 -4.758 1.00 0.00 C ATOM 1886 C ARG A 56 9.599 -0.185 -6.202 1.00 0.00 C ATOM 1887 O ARG A 56 10.549 -0.643 -6.805 1.00 0.00 O ATOM 1888 CB ARG A 56 10.415 -0.120 -3.853 1.00 0.00 C ATOM 1889 CG ARG A 56 10.064 -0.397 -2.382 1.00 0.00 C ATOM 1890 CD ARG A 56 8.912 0.512 -1.917 1.00 0.00 C ATOM 1891 NE ARG A 56 9.085 0.837 -0.468 1.00 0.00 N ATOM 1892 CZ ARG A 56 9.302 -0.110 0.403 1.00 0.00 C ATOM 1893 NH1 ARG A 56 9.167 -1.359 0.052 1.00 0.00 N ATOM 1894 NH2 ARG A 56 9.593 0.184 1.641 1.00 0.00 N ATOM 0 H ARG A 56 9.816 -2.502 -3.955 1.00 0.00 H new ATOM 0 HA ARG A 56 8.321 -0.155 -4.483 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.342 -0.629 -4.117 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.584 0.947 -4.001 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.780 -1.442 -2.261 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.941 -0.230 -1.756 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.898 1.429 -2.507 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.955 0.015 -2.077 1.00 0.00 H new ATOM 0 HE ARG A 56 9.033 1.807 -0.158 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.892 -1.594 -0.902 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.336 -2.101 0.731 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.652 1.159 1.933 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.761 -0.562 2.316 1.00 0.00 H new ATOM 1908 N LYS A 57 8.821 0.724 -6.743 1.00 0.00 N ATOM 1909 CA LYS A 57 9.074 1.227 -8.121 1.00 0.00 C ATOM 1910 C LYS A 57 10.551 1.585 -8.242 1.00 0.00 C ATOM 1911 O LYS A 57 11.239 1.735 -7.253 1.00 0.00 O ATOM 1912 CB LYS A 57 8.217 2.476 -8.343 1.00 0.00 C ATOM 1913 CG LYS A 57 8.715 3.254 -9.567 1.00 0.00 C ATOM 1914 CD LYS A 57 7.633 4.221 -10.041 1.00 0.00 C ATOM 1915 CE LYS A 57 7.129 5.062 -8.868 1.00 0.00 C ATOM 1916 NZ LYS A 57 6.372 6.238 -9.389 1.00 0.00 N ATOM 0 H LYS A 57 8.014 1.140 -6.278 1.00 0.00 H new ATOM 0 HA LYS A 57 8.821 0.471 -8.865 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.175 2.189 -8.485 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.255 3.113 -7.459 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.622 3.804 -9.315 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.974 2.562 -10.369 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.031 4.871 -10.820 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.806 3.665 -10.482 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.488 4.460 -8.224 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.969 5.397 -8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.029 6.811 -8.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.997 6.816 -9.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.562 5.908 -9.952 1.00 0.00 H new ATOM 1930 N VAL A 58 11.043 1.731 -9.441 1.00 0.00 N ATOM 1931 CA VAL A 58 12.470 2.087 -9.609 1.00 0.00 C ATOM 1932 C VAL A 58 12.772 3.311 -8.748 1.00 0.00 C ATOM 1933 O VAL A 58 12.073 4.302 -8.790 1.00 0.00 O ATOM 1934 CB VAL A 58 12.741 2.396 -11.089 1.00 0.00 C ATOM 1935 CG1 VAL A 58 12.117 1.291 -11.946 1.00 0.00 C ATOM 1936 CG2 VAL A 58 12.104 3.735 -11.477 1.00 0.00 C ATOM 0 H VAL A 58 10.516 1.618 -10.307 1.00 0.00 H new ATOM 0 HA VAL A 58 13.109 1.260 -9.299 1.00 0.00 H new ATOM 0 HB VAL A 58 13.818 2.449 -11.251 1.00 0.00 H new ATOM 0 HG11 VAL A 58 12.303 1.499 -13.000 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.561 0.331 -11.682 1.00 0.00 H new ATOM 0 HG13 VAL A 58 11.042 1.255 -11.767 1.00 0.00 H new ATOM 0 HG21 VAL A 58 12.304 3.942 -12.528 1.00 0.00 H new ATOM 0 HG22 VAL A 58 11.027 3.686 -11.315 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.527 4.531 -10.864 1.00 0.00 H new