USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=17 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 16 THR OG1 : rot 180:sc= 0.03 USER MOD Set 1.2: A 29 ASN : amide:sc= -6.68! C(o=-6.6!,f=-7.1!) USER MOD Set 2.1: A 12 THR OG1 : rot -113:sc= 0.0827 USER MOD Set 2.2: A 14 THR OG1 : rot 38:sc= 0.37 USER MOD Set 3.1: A 7 CYS SG : rot 156:sc= 0.753 USER MOD Set 3.2: A 10 CYS SG : rot -51:sc= -3.81! USER MOD Set 3.3: A 28 CYS SG : rot -124:sc= 0.62 USER MOD Set 3.4: A 31 CYS SG : rot 149:sc= -4.35! USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 60:sc= 0.76 USER MOD Single : A 9 ASN : amide:sc= -2.71! C(o=-2.7!,f=-2.5!) USER MOD Single : A 11 GLN : amide:sc= -0.0833 K(o=-0.083,f=-0.61) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -138:sc= 0.683 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0288 USER MOD Single : A 23 MET CE :methyl -121:sc= 0 (180deg=-0.103) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0457 X(o=-0.046,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -1.62 K(o=-1.6,f=-8.5!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.61 K(o=-1.6,f=-2.1) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -6.500 9.772 14.546 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.284 9.429 15.765 1.00 0.00 C ATOM 1070 C ALA A 3 -8.788 9.552 15.508 1.00 0.00 C ATOM 1071 O ALA A 3 -9.300 10.623 15.250 1.00 0.00 O ATOM 1072 CB ALA A 3 -6.894 10.380 16.898 1.00 0.00 C ATOM 0 HA ALA A 3 -7.061 8.397 16.037 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.465 10.133 17.793 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.829 10.279 17.108 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.109 11.407 16.602 1.00 0.00 H new ATOM 1078 N GLY A 4 -9.500 8.460 15.600 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.977 8.501 15.390 1.00 0.00 C ATOM 1080 C GLY A 4 -11.300 8.475 13.897 1.00 0.00 C ATOM 1081 O GLY A 4 -12.442 8.335 13.506 1.00 0.00 O ATOM 0 H GLY A 4 -9.120 7.537 15.812 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.446 7.651 15.885 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.391 9.402 15.843 1.00 0.00 H new ATOM 1085 N THR A 5 -10.320 8.649 13.058 1.00 0.00 N ATOM 1086 CA THR A 5 -10.611 8.674 11.597 1.00 0.00 C ATOM 1087 C THR A 5 -10.929 7.275 11.072 1.00 0.00 C ATOM 1088 O THR A 5 -10.065 6.429 10.958 1.00 0.00 O ATOM 1089 CB THR A 5 -9.410 9.224 10.829 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.878 10.343 11.524 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.846 9.655 9.417 1.00 0.00 C ATOM 0 H THR A 5 -9.341 8.774 13.315 1.00 0.00 H new ATOM 0 HA THR A 5 -11.479 9.316 11.446 1.00 0.00 H new ATOM 0 HB THR A 5 -8.649 8.448 10.747 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.106 10.696 11.034 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.986 10.046 8.874 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.252 8.796 8.883 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.610 10.429 9.492 1.00 0.00 H new ATOM 1099 N VAL A 6 -12.160 7.057 10.685 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.564 5.753 10.083 1.00 0.00 C ATOM 1101 C VAL A 6 -12.941 6.066 8.643 1.00 0.00 C ATOM 1102 O VAL A 6 -13.549 7.083 8.371 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.781 5.150 10.802 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -13.369 4.597 12.167 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.864 6.217 10.985 1.00 0.00 C ATOM 0 H VAL A 6 -12.914 7.740 10.763 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.754 5.029 10.162 1.00 0.00 H new ATOM 0 HB VAL A 6 -14.177 4.337 10.194 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -14.240 4.173 12.666 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.615 3.822 12.033 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.958 5.402 12.777 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.722 5.780 11.495 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.468 7.039 11.580 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.174 6.592 10.010 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.594 5.238 7.714 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.948 5.541 6.307 1.00 0.00 C ATOM 1117 C CYS A 7 -14.458 5.630 6.157 1.00 0.00 C ATOM 1118 O CYS A 7 -15.181 4.689 6.415 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.406 4.438 5.422 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.791 4.812 3.699 1.00 0.00 S ATOM 0 H CYS A 7 -12.083 4.368 7.862 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.514 6.497 6.016 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.328 4.347 5.554 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.844 3.481 5.705 1.00 0.00 H new ATOM 0 HG CYS A 7 -11.943 4.205 2.923 1.00 0.00 H new ATOM 1125 N SER A 8 -14.938 6.762 5.736 1.00 0.00 N ATOM 1126 CA SER A 8 -16.398 6.934 5.563 1.00 0.00 C ATOM 1127 C SER A 8 -16.930 5.923 4.547 1.00 0.00 C ATOM 1128 O SER A 8 -18.011 5.391 4.705 1.00 0.00 O ATOM 1129 CB SER A 8 -16.693 8.348 5.064 1.00 0.00 C ATOM 1130 OG SER A 8 -16.214 9.291 6.016 1.00 0.00 O ATOM 0 H SER A 8 -14.375 7.580 5.503 1.00 0.00 H new ATOM 0 HA SER A 8 -16.887 6.772 6.523 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.214 8.513 4.099 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.765 8.477 4.914 1.00 0.00 H new ATOM 0 HG SER A 8 -15.249 9.172 6.137 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.207 5.675 3.479 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.729 4.725 2.455 1.00 0.00 C ATOM 1138 C ASN A 9 -16.569 3.259 2.878 1.00 0.00 C ATOM 1139 O ASN A 9 -17.440 2.463 2.590 1.00 0.00 O ATOM 1140 CB ASN A 9 -15.986 4.956 1.135 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.452 6.274 0.510 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.520 6.760 0.824 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -15.696 6.876 -0.368 1.00 0.00 N ATOM 0 H ASN A 9 -15.294 6.083 3.278 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.796 4.916 2.340 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.911 4.985 1.311 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.175 4.130 0.450 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -16.003 7.753 -0.789 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.799 6.469 -0.633 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.475 2.856 3.516 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.335 1.392 3.877 1.00 0.00 C ATOM 1152 C CYS A 10 -14.935 1.176 5.346 1.00 0.00 C ATOM 1153 O CYS A 10 -14.614 0.071 5.738 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.329 0.710 2.936 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.624 1.098 3.417 1.00 0.00 S ATOM 0 H CYS A 10 -14.699 3.456 3.793 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.317 0.935 3.752 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.480 -0.369 2.957 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.505 1.037 1.911 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.490 2.385 3.541 1.00 0.00 H new ATOM 1160 N GLN A 11 -15.005 2.186 6.173 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.700 2.021 7.635 1.00 0.00 C ATOM 1162 C GLN A 11 -13.283 1.500 7.921 1.00 0.00 C ATOM 1163 O GLN A 11 -12.918 1.339 9.069 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.722 1.060 8.258 1.00 0.00 C ATOM 1165 CG GLN A 11 -17.138 1.584 8.002 1.00 0.00 C ATOM 1166 CD GLN A 11 -17.323 2.939 8.685 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -16.861 3.144 9.790 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -17.972 3.885 8.062 1.00 0.00 N ATOM 0 H GLN A 11 -15.264 3.134 5.898 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.762 3.015 8.078 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.608 0.064 7.830 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.545 0.969 9.330 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -17.311 1.681 6.930 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.872 0.873 8.381 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -18.359 3.712 7.134 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -18.092 4.797 8.503 1.00 0.00 H new ATOM 1177 N THR A 12 -12.465 1.243 6.941 1.00 0.00 N ATOM 1178 CA THR A 12 -11.093 0.753 7.279 1.00 0.00 C ATOM 1179 C THR A 12 -10.391 1.827 8.123 1.00 0.00 C ATOM 1180 O THR A 12 -10.570 3.005 7.881 1.00 0.00 O ATOM 1181 CB THR A 12 -10.286 0.494 5.996 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.029 -0.073 6.341 1.00 0.00 O ATOM 1183 CG2 THR A 12 -10.057 1.801 5.239 1.00 0.00 C ATOM 0 H THR A 12 -12.673 1.345 5.948 1.00 0.00 H new ATOM 0 HA THR A 12 -11.163 -0.182 7.835 1.00 0.00 H new ATOM 0 HB THR A 12 -10.844 -0.191 5.358 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.314 0.562 6.127 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.484 1.601 4.333 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.018 2.240 4.971 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.505 2.496 5.872 1.00 0.00 H new ATOM 1191 N SER A 13 -9.573 1.445 9.090 1.00 0.00 N ATOM 1192 CA SER A 13 -8.843 2.482 9.916 1.00 0.00 C ATOM 1193 C SER A 13 -7.376 2.478 9.489 1.00 0.00 C ATOM 1194 O SER A 13 -6.602 3.344 9.850 1.00 0.00 O ATOM 1195 CB SER A 13 -8.972 2.180 11.409 1.00 0.00 C ATOM 1196 OG SER A 13 -8.435 0.893 11.678 1.00 0.00 O ATOM 0 H SER A 13 -9.381 0.475 9.341 1.00 0.00 H new ATOM 0 HA SER A 13 -9.280 3.466 9.748 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.444 2.935 11.991 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.019 2.220 11.710 1.00 0.00 H new ATOM 0 HG SER A 13 -8.515 0.699 12.635 1.00 0.00 H new ATOM 1202 N THR A 14 -7.007 1.518 8.683 1.00 0.00 N ATOM 1203 CA THR A 14 -5.609 1.441 8.168 1.00 0.00 C ATOM 1204 C THR A 14 -5.615 2.015 6.756 1.00 0.00 C ATOM 1205 O THR A 14 -6.303 1.521 5.883 1.00 0.00 O ATOM 1206 CB THR A 14 -5.159 -0.022 8.116 1.00 0.00 C ATOM 1207 OG1 THR A 14 -6.178 -0.809 7.516 1.00 0.00 O ATOM 1208 CG2 THR A 14 -4.889 -0.526 9.533 1.00 0.00 C ATOM 0 H THR A 14 -7.623 0.774 8.356 1.00 0.00 H new ATOM 0 HA THR A 14 -4.929 1.995 8.815 1.00 0.00 H new ATOM 0 HB THR A 14 -4.246 -0.100 7.526 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.598 -0.302 6.790 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.569 -1.567 9.494 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.105 0.078 9.991 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.800 -0.448 10.127 1.00 0.00 H new ATOM 1216 N THR A 15 -4.866 3.054 6.519 1.00 0.00 N ATOM 1217 CA THR A 15 -4.841 3.668 5.160 1.00 0.00 C ATOM 1218 C THR A 15 -3.437 4.158 4.859 1.00 0.00 C ATOM 1219 O THR A 15 -2.727 4.596 5.742 1.00 0.00 O ATOM 1220 CB THR A 15 -5.783 4.873 5.141 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.121 5.989 5.722 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.030 4.554 5.952 1.00 0.00 C ATOM 0 H THR A 15 -4.267 3.507 7.209 1.00 0.00 H new ATOM 0 HA THR A 15 -5.150 2.930 4.420 1.00 0.00 H new ATOM 0 HB THR A 15 -6.065 5.102 4.113 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.742 6.468 6.310 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.702 5.412 5.939 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.535 3.691 5.518 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.748 4.330 6.981 1.00 0.00 H new ATOM 1230 N THR A 16 -3.023 4.119 3.625 1.00 0.00 N ATOM 1231 CA THR A 16 -1.664 4.624 3.319 1.00 0.00 C ATOM 1232 C THR A 16 -1.725 6.155 3.320 1.00 0.00 C ATOM 1233 O THR A 16 -0.842 6.819 3.825 1.00 0.00 O ATOM 1234 CB THR A 16 -1.175 4.116 1.960 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.885 4.765 0.917 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.359 2.599 1.836 1.00 0.00 C ATOM 0 H THR A 16 -3.557 3.766 2.831 1.00 0.00 H new ATOM 0 HA THR A 16 -0.961 4.264 4.070 1.00 0.00 H new ATOM 0 HB THR A 16 -0.112 4.343 1.879 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.566 4.437 0.051 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.003 2.268 0.861 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.790 2.098 2.619 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.415 2.351 1.940 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.786 6.727 2.789 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.923 8.225 2.798 1.00 0.00 C ATOM 1246 C LEU A 17 -4.401 8.564 3.066 1.00 0.00 C ATOM 1247 O LEU A 17 -5.287 8.033 2.425 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.464 8.820 1.438 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.803 10.199 1.634 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.510 10.059 2.483 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.477 10.815 0.245 1.00 0.00 C ATOM 0 H LEU A 17 -3.559 6.225 2.352 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.293 8.657 3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.760 8.140 0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.321 8.915 0.771 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.490 10.858 2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.053 11.040 2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.759 9.641 3.459 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.190 9.398 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.009 11.790 0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.795 10.157 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.398 10.930 -0.327 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.684 9.439 4.001 1.00 0.00 N ATOM 1264 CA TRP A 18 -6.107 9.794 4.294 1.00 0.00 C ATOM 1265 C TRP A 18 -6.610 10.800 3.253 1.00 0.00 C ATOM 1266 O TRP A 18 -5.965 11.791 2.973 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.192 10.423 5.700 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.228 9.343 6.745 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.262 9.112 7.667 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.267 8.347 6.988 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.643 8.038 8.452 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.867 7.536 8.075 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.504 8.070 6.376 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.661 6.490 8.542 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.307 7.015 6.846 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.885 6.227 7.926 1.00 0.00 C ATOM 0 H TRP A 18 -3.991 9.922 4.573 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.724 8.896 4.255 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.335 11.075 5.868 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.084 11.044 5.776 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.346 9.674 7.772 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.083 7.664 9.218 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.838 8.670 5.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.331 5.887 9.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.255 6.811 6.371 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.506 5.418 8.281 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.751 10.539 2.669 1.00 0.00 N ATOM 1288 CA ARG A 19 -8.313 11.456 1.626 1.00 0.00 C ATOM 1289 C ARG A 19 -9.589 12.117 2.153 1.00 0.00 C ATOM 1290 O ARG A 19 -10.056 11.815 3.234 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.668 10.635 0.382 1.00 0.00 C ATOM 1292 CG ARG A 19 -7.537 9.677 0.037 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.258 10.452 -0.258 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.284 9.526 -0.915 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.179 9.977 -1.447 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.878 11.240 -1.370 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.366 9.155 -2.050 1.00 0.00 N ATOM 0 H ARG A 19 -8.325 9.721 2.871 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.576 12.221 1.382 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.586 10.075 0.558 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.858 11.302 -0.459 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.370 8.988 0.865 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.813 9.075 -0.828 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.471 11.301 -0.907 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.837 10.853 0.664 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.486 8.527 -0.948 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.506 11.886 -0.892 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.014 11.585 -1.788 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.593 8.162 -2.106 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.503 9.505 -2.466 1.00 0.00 H new ATOM 1311 N ARG A 20 -10.177 12.991 1.373 1.00 0.00 N ATOM 1312 CA ARG A 20 -11.454 13.655 1.782 1.00 0.00 C ATOM 1313 C ARG A 20 -12.438 13.538 0.620 1.00 0.00 C ATOM 1314 O ARG A 20 -12.064 13.658 -0.531 1.00 0.00 O ATOM 1315 CB ARG A 20 -11.202 15.131 2.106 1.00 0.00 C ATOM 1316 CG ARG A 20 -10.232 15.251 3.290 1.00 0.00 C ATOM 1317 CD ARG A 20 -10.971 15.004 4.612 1.00 0.00 C ATOM 1318 NE ARG A 20 -10.072 15.338 5.748 1.00 0.00 N ATOM 1319 CZ ARG A 20 -10.574 15.521 6.936 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -11.856 15.389 7.127 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -9.793 15.829 7.934 1.00 0.00 N ATOM 0 H ARG A 20 -9.822 13.276 0.460 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.859 13.175 2.673 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.789 15.638 1.234 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.144 15.625 2.345 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.421 14.531 3.179 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.779 16.242 3.299 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.874 15.613 4.656 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.286 13.962 4.677 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.067 15.423 5.598 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.465 15.143 6.347 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.250 15.532 8.057 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.789 15.927 7.784 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.186 15.972 8.864 1.00 0.00 H new ATOM 1335 N SER A 21 -13.692 13.300 0.905 1.00 0.00 N ATOM 1336 CA SER A 21 -14.703 13.169 -0.191 1.00 0.00 C ATOM 1337 C SER A 21 -15.366 14.531 -0.457 1.00 0.00 C ATOM 1338 O SER A 21 -15.360 15.402 0.390 1.00 0.00 O ATOM 1339 CB SER A 21 -15.760 12.130 0.214 1.00 0.00 C ATOM 1340 OG SER A 21 -17.061 12.616 -0.100 1.00 0.00 O ATOM 0 H SER A 21 -14.062 13.190 1.849 1.00 0.00 H new ATOM 0 HA SER A 21 -14.210 12.839 -1.105 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.578 11.190 -0.307 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.688 11.922 1.281 1.00 0.00 H new ATOM 0 HG SER A 21 -17.731 11.949 0.159 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.941 14.713 -1.627 1.00 0.00 N ATOM 1347 CA PRO A 22 -16.616 15.999 -1.965 1.00 0.00 C ATOM 1348 C PRO A 22 -17.663 16.401 -0.914 1.00 0.00 C ATOM 1349 O PRO A 22 -18.093 17.535 -0.857 1.00 0.00 O ATOM 1350 CB PRO A 22 -17.285 15.676 -3.323 1.00 0.00 C ATOM 1351 CG PRO A 22 -17.005 14.199 -3.669 1.00 0.00 C ATOM 1352 CD PRO A 22 -15.954 13.666 -2.689 1.00 0.00 C ATOM 0 HA PRO A 22 -15.927 16.843 -2.000 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -18.359 15.855 -3.268 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -16.893 16.328 -4.103 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -17.921 13.612 -3.599 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -16.647 14.111 -4.695 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -16.228 12.689 -2.292 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.978 13.555 -3.162 1.00 0.00 H new ATOM 1360 N MET A 23 -18.080 15.472 -0.085 1.00 0.00 N ATOM 1361 CA MET A 23 -19.105 15.792 0.955 1.00 0.00 C ATOM 1362 C MET A 23 -18.405 16.166 2.268 1.00 0.00 C ATOM 1363 O MET A 23 -19.003 16.724 3.164 1.00 0.00 O ATOM 1364 CB MET A 23 -20.002 14.568 1.188 1.00 0.00 C ATOM 1365 CG MET A 23 -21.210 14.969 2.045 1.00 0.00 C ATOM 1366 SD MET A 23 -22.242 13.514 2.374 1.00 0.00 S ATOM 1367 CE MET A 23 -23.100 13.412 0.779 1.00 0.00 C ATOM 0 H MET A 23 -17.753 14.506 -0.086 1.00 0.00 H new ATOM 0 HA MET A 23 -19.714 16.630 0.615 1.00 0.00 H new ATOM 0 HB2 MET A 23 -20.339 14.165 0.233 1.00 0.00 H new ATOM 0 HB3 MET A 23 -19.437 13.780 1.685 1.00 0.00 H new ATOM 0 HG2 MET A 23 -20.872 15.406 2.985 1.00 0.00 H new ATOM 0 HG3 MET A 23 -21.795 15.732 1.531 1.00 0.00 H new ATOM 0 HE1 MET A 23 -24.175 13.489 0.939 1.00 0.00 H new ATOM 0 HE2 MET A 23 -22.769 14.227 0.135 1.00 0.00 H new ATOM 0 HE3 MET A 23 -22.871 12.458 0.303 1.00 0.00 H new ATOM 1377 N GLY A 24 -17.137 15.869 2.389 1.00 0.00 N ATOM 1378 CA GLY A 24 -16.402 16.205 3.649 1.00 0.00 C ATOM 1379 C GLY A 24 -16.389 14.983 4.568 1.00 0.00 C ATOM 1380 O GLY A 24 -16.348 15.104 5.776 1.00 0.00 O ATOM 0 H GLY A 24 -16.577 15.409 1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.382 16.511 3.418 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.881 17.046 4.150 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.428 13.806 4.000 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.421 12.553 4.808 1.00 0.00 C ATOM 1386 C ASP A 25 -15.043 11.864 4.663 1.00 0.00 C ATOM 1387 O ASP A 25 -14.703 11.428 3.581 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.490 11.621 4.234 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.800 12.394 4.076 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.866 13.511 4.564 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.712 11.859 3.469 1.00 0.00 O ATOM 0 H ASP A 25 -16.465 13.659 2.991 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.615 12.775 5.857 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -17.167 11.228 3.270 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.636 10.766 4.894 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.242 11.758 5.709 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.904 11.098 5.580 1.00 0.00 C ATOM 1398 C PRO A 26 -12.969 9.744 4.845 1.00 0.00 C ATOM 1399 O PRO A 26 -13.886 8.968 5.026 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.499 10.929 7.053 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.305 11.949 7.867 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.579 12.270 7.074 1.00 0.00 C ATOM 0 HA PRO A 26 -12.197 11.674 4.983 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.706 9.915 7.395 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.429 11.096 7.179 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.556 11.545 8.848 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.720 12.853 8.035 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.454 11.771 7.491 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.795 13.338 7.066 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.983 9.454 4.029 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.964 8.145 3.289 1.00 0.00 C ATOM 1412 C VAL A 27 -10.522 7.633 3.166 1.00 0.00 C ATOM 1413 O VAL A 27 -9.578 8.389 3.282 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.591 8.303 1.887 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -14.121 8.262 2.012 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -12.150 9.646 1.233 1.00 0.00 C ATOM 0 H VAL A 27 -11.189 10.066 3.841 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.554 7.421 3.851 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.249 7.486 1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.570 8.373 1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.425 7.309 2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.455 9.075 2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.604 9.736 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.473 10.478 1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.064 9.665 1.137 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.342 6.350 2.935 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.960 5.795 2.811 1.00 0.00 C ATOM 1428 C CYS A 28 -8.424 5.992 1.379 1.00 0.00 C ATOM 1429 O CYS A 28 -9.170 6.195 0.441 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.949 4.308 3.233 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.762 3.243 2.005 1.00 0.00 S ATOM 0 H CYS A 28 -11.093 5.668 2.828 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.293 6.337 3.482 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.919 3.979 3.373 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.451 4.201 4.194 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.708 2.562 2.580 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.120 5.986 1.231 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.474 6.231 -0.103 1.00 0.00 C ATOM 1438 C ASN A 29 -7.115 5.409 -1.225 1.00 0.00 C ATOM 1439 O ASN A 29 -7.207 5.868 -2.347 1.00 0.00 O ATOM 1440 CB ASN A 29 -4.991 5.859 -0.007 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.235 6.428 -1.209 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.791 6.578 -2.280 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -2.980 6.759 -1.075 1.00 0.00 N ATOM 0 H ASN A 29 -6.462 5.819 1.992 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.608 7.285 -0.347 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.568 6.250 0.918 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.880 4.775 0.024 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.466 7.143 -1.868 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.513 6.634 -0.177 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.548 4.215 -0.966 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.157 3.418 -2.069 1.00 0.00 C ATOM 1452 C ALA A 30 -9.594 3.886 -2.358 1.00 0.00 C ATOM 1453 O ALA A 30 -9.972 4.051 -3.500 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.137 1.941 -1.694 1.00 0.00 C ATOM 0 H ALA A 30 -7.511 3.757 -0.055 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.574 3.567 -2.978 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.582 1.355 -2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.107 1.619 -1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.708 1.791 -0.778 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.407 4.087 -1.352 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.816 4.528 -1.620 1.00 0.00 C ATOM 1462 C CYS A 31 -11.815 5.846 -2.379 1.00 0.00 C ATOM 1463 O CYS A 31 -12.571 6.042 -3.294 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.571 4.754 -0.310 1.00 0.00 C ATOM 1465 SG CYS A 31 -13.086 3.182 0.392 1.00 0.00 S ATOM 0 H CYS A 31 -10.164 3.968 -0.369 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.301 3.745 -2.203 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.934 5.285 0.398 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.443 5.383 -0.489 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.110 3.273 1.689 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.995 6.764 -1.989 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.998 8.070 -2.686 1.00 0.00 C ATOM 1472 C GLY A 32 -10.694 7.868 -4.167 1.00 0.00 C ATOM 1473 O GLY A 32 -11.404 8.352 -5.026 1.00 0.00 O ATOM 0 H GLY A 32 -10.326 6.672 -1.224 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.968 8.553 -2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.255 8.732 -2.240 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.649 7.158 -4.479 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.312 6.936 -5.910 1.00 0.00 C ATOM 1479 C LEU A 33 -10.401 6.097 -6.579 1.00 0.00 C ATOM 1480 O LEU A 33 -10.904 6.450 -7.624 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.964 6.213 -6.005 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.866 7.067 -5.353 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.586 6.234 -5.216 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.576 8.312 -6.215 1.00 0.00 C ATOM 0 H LEU A 33 -9.016 6.723 -3.808 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.246 7.897 -6.421 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.025 5.244 -5.510 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.717 6.022 -7.049 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.205 7.388 -4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.806 6.839 -4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.785 5.361 -4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.256 5.909 -6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.796 8.909 -5.742 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.244 8.000 -7.205 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.483 8.909 -6.309 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.779 4.993 -5.999 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.839 4.162 -6.636 1.00 0.00 C ATOM 1498 C TYR A 34 -13.130 4.969 -6.770 1.00 0.00 C ATOM 1499 O TYR A 34 -13.781 4.957 -7.795 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.128 2.923 -5.786 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.206 2.120 -6.466 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.545 2.471 -6.283 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -12.869 1.041 -7.292 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.551 1.748 -6.925 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -13.878 0.312 -7.933 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.220 0.666 -7.751 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.215 -0.048 -8.388 1.00 0.00 O ATOM 0 H TYR A 34 -10.405 4.632 -5.121 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.485 3.858 -7.621 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.225 2.324 -5.670 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.447 3.215 -4.786 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.802 3.303 -5.644 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.833 0.772 -7.434 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.586 2.023 -6.785 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.621 -0.523 -8.568 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.813 -0.764 -8.922 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.519 5.646 -5.727 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.783 6.430 -5.763 1.00 0.00 C ATOM 1519 C TYR A 35 -14.687 7.567 -6.784 1.00 0.00 C ATOM 1520 O TYR A 35 -15.589 7.802 -7.545 1.00 0.00 O ATOM 1521 CB TYR A 35 -15.053 7.020 -4.372 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.506 7.410 -4.275 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.917 8.659 -4.740 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.438 6.519 -3.727 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.266 9.026 -4.661 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.788 6.882 -3.646 1.00 0.00 C ATOM 1527 CZ TYR A 35 -19.202 8.139 -4.114 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.531 8.500 -4.040 1.00 0.00 O ATOM 0 H TYR A 35 -13.011 5.690 -4.844 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.597 5.767 -6.055 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.807 6.291 -3.600 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.418 7.890 -4.203 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.195 9.343 -5.161 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -17.116 5.553 -3.367 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.585 9.993 -5.022 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.509 6.197 -3.225 1.00 0.00 H new ATOM 0 HH TYR A 35 -21.046 7.771 -3.636 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.618 8.295 -6.799 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.523 9.422 -7.767 1.00 0.00 C ATOM 1540 C LYS A 36 -13.632 8.887 -9.198 1.00 0.00 C ATOM 1541 O LYS A 36 -14.259 9.488 -10.048 1.00 0.00 O ATOM 1542 CB LYS A 36 -12.168 10.109 -7.579 1.00 0.00 C ATOM 1543 CG LYS A 36 -12.026 11.276 -8.557 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.695 11.999 -8.302 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.519 11.203 -8.889 1.00 0.00 C ATOM 1546 NZ LYS A 36 -8.341 12.106 -9.032 1.00 0.00 N ATOM 0 H LYS A 36 -12.809 8.166 -6.191 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.332 10.131 -7.593 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.074 10.470 -6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.363 9.391 -7.739 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.063 10.911 -9.583 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.858 11.970 -8.435 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.725 12.993 -8.748 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.549 12.134 -7.230 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.272 10.363 -8.240 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.793 10.787 -9.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.541 11.573 -9.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.582 12.893 -9.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.077 12.483 -8.099 1.00 0.00 H new ATOM 1560 N LEU A 37 -13.019 7.778 -9.473 1.00 0.00 N ATOM 1561 CA LEU A 37 -13.072 7.211 -10.850 1.00 0.00 C ATOM 1562 C LEU A 37 -14.459 6.611 -11.168 1.00 0.00 C ATOM 1563 O LEU A 37 -14.931 6.724 -12.281 1.00 0.00 O ATOM 1564 CB LEU A 37 -11.973 6.137 -10.988 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.666 6.777 -11.496 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.255 7.941 -10.580 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.553 5.717 -11.523 1.00 0.00 C ATOM 0 H LEU A 37 -12.478 7.232 -8.802 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.901 8.014 -11.567 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.801 5.656 -10.025 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.299 5.359 -11.679 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.825 7.162 -12.503 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.330 8.385 -10.949 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.042 8.695 -10.574 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.100 7.570 -9.567 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.629 6.169 -11.882 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.399 5.326 -10.517 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.841 4.903 -12.189 1.00 0.00 H new ATOM 1579 N HIS A 38 -15.095 5.940 -10.227 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.431 5.296 -10.518 1.00 0.00 C ATOM 1581 C HIS A 38 -17.553 5.855 -9.633 1.00 0.00 C ATOM 1582 O HIS A 38 -18.692 5.458 -9.766 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.312 3.796 -10.267 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.333 3.208 -11.243 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.738 2.612 -12.426 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -13.965 3.124 -11.227 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.631 2.200 -13.070 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.522 2.487 -12.384 1.00 0.00 N ATOM 0 H HIS A 38 -14.751 5.810 -9.275 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.687 5.510 -11.556 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -15.981 3.611 -9.245 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.285 3.318 -10.378 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.328 3.495 -10.438 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.638 1.698 -14.026 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -12.558 2.284 -12.650 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.262 6.764 -8.749 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.306 7.363 -7.856 1.00 0.00 C ATOM 1598 C GLN A 39 -19.407 6.373 -7.442 1.00 0.00 C ATOM 1599 O GLN A 39 -20.579 6.695 -7.430 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.888 8.621 -8.502 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.648 8.269 -9.786 1.00 0.00 C ATOM 1602 CD GLN A 39 -20.287 9.536 -10.353 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -21.230 10.059 -9.790 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -19.810 10.060 -11.448 1.00 0.00 N ATOM 0 H GLN A 39 -16.322 7.130 -8.600 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.809 7.638 -6.926 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -19.559 9.119 -7.801 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -18.086 9.323 -8.729 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -18.968 7.831 -10.517 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -20.414 7.523 -9.577 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -19.019 9.622 -11.921 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -20.228 10.908 -11.832 1.00 0.00 H new ATOM 1613 N VAL A 40 -19.028 5.193 -7.026 1.00 0.00 N ATOM 1614 CA VAL A 40 -20.018 4.199 -6.528 1.00 0.00 C ATOM 1615 C VAL A 40 -19.406 3.502 -5.320 1.00 0.00 C ATOM 1616 O VAL A 40 -18.202 3.389 -5.203 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.357 3.151 -7.589 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.205 3.786 -8.693 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -19.073 2.542 -8.179 1.00 0.00 C ATOM 0 H VAL A 40 -18.059 4.874 -7.011 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.941 4.718 -6.271 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.928 2.349 -7.121 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.444 3.035 -9.446 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.128 4.176 -8.264 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.648 4.600 -9.156 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.335 1.799 -8.932 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.475 3.329 -8.639 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.498 2.066 -7.385 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.217 3.041 -4.417 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.671 2.357 -3.210 1.00 0.00 C ATOM 1631 C ASN A 41 -19.332 0.907 -3.565 1.00 0.00 C ATOM 1632 O ASN A 41 -20.187 0.128 -3.939 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.708 2.390 -2.088 1.00 0.00 C ATOM 1634 CG ASN A 41 -22.017 1.787 -2.599 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.150 1.504 -3.772 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.993 1.575 -1.763 1.00 0.00 N ATOM 0 H ASN A 41 -21.234 3.106 -4.458 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.769 2.868 -2.873 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.347 1.829 -1.226 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.871 3.415 -1.756 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.869 1.171 -2.094 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.881 1.813 -0.777 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.079 0.548 -3.462 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.645 -0.843 -3.801 1.00 0.00 C ATOM 1645 C ARG A 42 -17.652 -1.713 -2.520 1.00 0.00 C ATOM 1646 O ARG A 42 -17.178 -1.274 -1.491 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.222 -0.773 -4.364 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.772 -2.156 -4.857 1.00 0.00 C ATOM 1649 CD ARG A 42 -14.290 -2.107 -5.282 1.00 0.00 C ATOM 1650 NE ARG A 42 -14.090 -2.946 -6.507 1.00 0.00 N ATOM 1651 CZ ARG A 42 -14.531 -4.175 -6.569 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -15.033 -4.755 -5.514 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -14.434 -4.841 -7.688 1.00 0.00 N ATOM 0 H ARG A 42 -17.328 1.166 -3.154 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.321 -1.284 -4.533 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.184 -0.057 -5.185 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -15.538 -0.413 -3.596 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.908 -2.895 -4.067 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -16.390 -2.470 -5.698 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.992 -1.078 -5.482 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.657 -2.471 -4.473 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.600 -2.550 -7.309 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.084 -4.249 -4.630 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.374 -5.714 -5.573 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.016 -4.402 -8.508 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.776 -5.800 -7.742 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.173 -2.933 -2.552 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.188 -3.793 -1.328 1.00 0.00 C ATOM 1669 C PRO A 43 -16.857 -3.762 -0.551 1.00 0.00 C ATOM 1670 O PRO A 43 -15.803 -3.530 -1.109 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.480 -5.184 -1.912 1.00 0.00 C ATOM 1672 CG PRO A 43 -19.082 -4.988 -3.317 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.776 -3.549 -3.775 1.00 0.00 C ATOM 0 HA PRO A 43 -18.917 -3.462 -0.588 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -17.566 -5.775 -1.967 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -19.174 -5.729 -1.272 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -18.657 -5.708 -4.016 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -20.158 -5.160 -3.297 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -18.086 -3.531 -4.619 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.678 -3.024 -4.089 1.00 0.00 H new ATOM 1681 N LEU A 44 -16.916 -3.969 0.740 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.679 -3.928 1.580 1.00 0.00 C ATOM 1683 C LEU A 44 -14.760 -5.099 1.245 1.00 0.00 C ATOM 1684 O LEU A 44 -13.596 -5.101 1.592 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.058 -3.999 3.062 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.749 -2.695 3.485 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -18.200 -2.660 2.973 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.742 -2.592 5.014 1.00 0.00 C ATOM 0 H LEU A 44 -17.775 -4.166 1.253 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.155 -2.995 1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -16.721 -4.846 3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.166 -4.162 3.667 1.00 0.00 H new ATOM 0 HG LEU A 44 -16.208 -1.853 3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.673 -1.728 3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -18.204 -2.724 1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.753 -3.503 3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -17.232 -1.667 5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.276 -3.442 5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.713 -2.593 5.374 1.00 0.00 H new ATOM 1700 N THR A 45 -15.262 -6.094 0.579 1.00 0.00 N ATOM 1701 CA THR A 45 -14.397 -7.255 0.235 1.00 0.00 C ATOM 1702 C THR A 45 -13.109 -6.748 -0.420 1.00 0.00 C ATOM 1703 O THR A 45 -12.170 -7.492 -0.626 1.00 0.00 O ATOM 1704 CB THR A 45 -15.139 -8.169 -0.743 1.00 0.00 C ATOM 1705 OG1 THR A 45 -15.524 -7.417 -1.886 1.00 0.00 O ATOM 1706 CG2 THR A 45 -16.384 -8.746 -0.068 1.00 0.00 C ATOM 0 H THR A 45 -16.228 -6.157 0.258 1.00 0.00 H new ATOM 0 HA THR A 45 -14.153 -7.812 1.140 1.00 0.00 H new ATOM 0 HB THR A 45 -14.484 -8.986 -1.044 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.998 -7.999 -2.516 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.909 -9.396 -0.768 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.089 -9.321 0.810 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.043 -7.933 0.236 1.00 0.00 H new ATOM 1714 N MET A 46 -13.058 -5.486 -0.750 1.00 0.00 N ATOM 1715 CA MET A 46 -11.831 -4.935 -1.390 1.00 0.00 C ATOM 1716 C MET A 46 -10.679 -4.884 -0.377 1.00 0.00 C ATOM 1717 O MET A 46 -9.538 -5.151 -0.704 1.00 0.00 O ATOM 1718 CB MET A 46 -12.126 -3.524 -1.912 1.00 0.00 C ATOM 1719 CG MET A 46 -10.961 -3.031 -2.778 1.00 0.00 C ATOM 1720 SD MET A 46 -10.860 -4.033 -4.288 1.00 0.00 S ATOM 1721 CE MET A 46 -9.707 -2.984 -5.211 1.00 0.00 C ATOM 0 H MET A 46 -13.812 -4.814 -0.604 1.00 0.00 H new ATOM 0 HA MET A 46 -11.537 -5.580 -2.218 1.00 0.00 H new ATOM 0 HB2 MET A 46 -13.047 -3.528 -2.495 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.282 -2.843 -1.075 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.104 -1.981 -3.035 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.026 -3.099 -2.221 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.510 -3.430 -6.186 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.144 -1.995 -5.346 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.773 -2.895 -4.657 1.00 0.00 H new ATOM 1731 N ARG A 47 -10.965 -4.515 0.842 1.00 0.00 N ATOM 1732 CA ARG A 47 -9.888 -4.414 1.877 1.00 0.00 C ATOM 1733 C ARG A 47 -9.569 -5.778 2.484 1.00 0.00 C ATOM 1734 O ARG A 47 -10.383 -6.680 2.497 1.00 0.00 O ATOM 1735 CB ARG A 47 -10.331 -3.477 3.009 1.00 0.00 C ATOM 1736 CG ARG A 47 -10.417 -2.020 2.507 1.00 0.00 C ATOM 1737 CD ARG A 47 -11.825 -1.725 1.977 1.00 0.00 C ATOM 1738 NE ARG A 47 -11.757 -0.588 1.017 1.00 0.00 N ATOM 1739 CZ ARG A 47 -12.785 -0.304 0.267 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -13.897 -0.972 0.407 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -12.705 0.653 -0.616 1.00 0.00 N ATOM 0 H ARG A 47 -11.901 -4.277 1.170 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.998 -4.024 1.383 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.302 -3.793 3.391 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.626 -3.541 3.838 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.175 -1.333 3.318 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.682 -1.855 1.719 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.234 -2.608 1.486 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.494 -1.481 2.802 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.905 -0.031 0.946 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -13.961 -1.715 1.103 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.702 -0.751 -0.179 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.838 1.180 -0.720 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.510 0.874 -1.202 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.384 -5.905 3.024 1.00 0.00 N ATOM 1756 CA LYS A 48 -7.958 -7.173 3.691 1.00 0.00 C ATOM 1757 C LYS A 48 -7.808 -6.904 5.190 1.00 0.00 C ATOM 1758 O LYS A 48 -8.389 -5.979 5.722 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.626 -7.646 3.099 1.00 0.00 C ATOM 1760 CG LYS A 48 -6.874 -8.205 1.697 1.00 0.00 C ATOM 1761 CD LYS A 48 -5.552 -8.684 1.090 1.00 0.00 C ATOM 1762 CE LYS A 48 -5.802 -9.246 -0.313 1.00 0.00 C ATOM 1763 NZ LYS A 48 -6.315 -10.643 -0.202 1.00 0.00 N ATOM 0 H LYS A 48 -7.679 -5.168 3.031 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.702 -7.953 3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.919 -6.818 3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.181 -8.411 3.736 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.584 -9.031 1.745 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.320 -7.438 1.063 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.843 -7.858 1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.105 -9.449 1.725 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.522 -8.623 -0.843 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.879 -9.230 -0.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.486 -11.027 -1.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.613 -11.233 0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.205 -10.644 0.336 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.030 -7.690 5.879 1.00 0.00 N ATOM 1778 CA ASP A 49 -6.836 -7.472 7.342 1.00 0.00 C ATOM 1779 C ASP A 49 -5.609 -6.580 7.580 1.00 0.00 C ATOM 1780 O ASP A 49 -5.249 -6.294 8.705 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.648 -8.828 8.027 1.00 0.00 C ATOM 1782 CG ASP A 49 -5.401 -9.518 7.471 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -5.444 -9.944 6.329 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -4.427 -9.612 8.199 1.00 0.00 O ATOM 0 H ASP A 49 -6.516 -8.480 5.490 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.711 -6.974 7.760 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.550 -8.692 9.104 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.525 -9.454 7.863 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.978 -6.119 6.531 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.792 -5.218 6.690 1.00 0.00 C ATOM 1791 C GLY A 50 -3.644 -4.365 5.421 1.00 0.00 C ATOM 1792 O GLY A 50 -4.415 -4.498 4.492 1.00 0.00 O ATOM 0 H GLY A 50 -5.233 -6.328 5.566 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.919 -4.577 7.563 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.890 -5.807 6.856 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.639 -3.526 5.346 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.437 -2.726 4.106 1.00 0.00 C ATOM 1798 C ILE A 51 -1.684 -3.613 3.106 1.00 0.00 C ATOM 1799 O ILE A 51 -0.781 -4.341 3.470 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.626 -1.464 4.431 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.388 -0.646 5.497 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.428 -0.617 3.161 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.910 0.813 5.505 1.00 0.00 C ATOM 0 H ILE A 51 -1.956 -3.364 6.086 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.390 -2.410 3.683 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.645 -1.747 4.812 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.458 -0.682 5.294 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.235 -1.089 6.481 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.851 0.275 3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.892 -1.202 2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.400 -0.324 2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.459 1.372 6.263 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.844 0.845 5.732 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.087 1.259 4.526 1.00 0.00 H new ATOM 1815 N GLN A 52 -2.046 -3.571 1.853 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.344 -4.429 0.851 1.00 0.00 C ATOM 1817 C GLN A 52 -0.031 -3.771 0.428 1.00 0.00 C ATOM 1818 O GLN A 52 0.091 -2.568 0.383 1.00 0.00 O ATOM 1819 CB GLN A 52 -2.234 -4.634 -0.380 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.488 -5.430 0.012 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.501 -4.491 0.669 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.896 -4.696 1.799 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -4.935 -3.458 0.003 1.00 0.00 N ATOM 0 H GLN A 52 -2.792 -2.985 1.479 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.131 -5.397 1.306 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.520 -3.669 -0.798 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.682 -5.166 -1.155 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.927 -5.896 -0.870 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.222 -6.234 0.699 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.603 -3.287 -0.946 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.607 -2.821 0.431 1.00 0.00 H new ATOM 1832 N THR A 53 0.966 -4.559 0.135 1.00 0.00 N ATOM 1833 CA THR A 53 2.284 -3.990 -0.277 1.00 0.00 C ATOM 1834 C THR A 53 2.859 -4.811 -1.427 1.00 0.00 C ATOM 1835 O THR A 53 2.471 -5.937 -1.667 1.00 0.00 O ATOM 1836 CB THR A 53 3.247 -4.010 0.912 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.584 -4.062 0.437 1.00 0.00 O ATOM 1838 CG2 THR A 53 2.959 -5.230 1.778 1.00 0.00 C ATOM 0 H THR A 53 0.926 -5.578 0.163 1.00 0.00 H new ATOM 0 HA THR A 53 2.147 -2.960 -0.607 1.00 0.00 H new ATOM 0 HB THR A 53 3.112 -3.107 1.507 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.201 -4.073 1.198 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.645 -5.245 2.625 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.933 -5.183 2.142 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.093 -6.136 1.187 1.00 0.00 H new ATOM 1846 N ARG A 54 3.779 -4.235 -2.143 1.00 0.00 N ATOM 1847 CA ARG A 54 4.400 -4.941 -3.300 1.00 0.00 C ATOM 1848 C ARG A 54 5.831 -4.447 -3.491 1.00 0.00 C ATOM 1849 O ARG A 54 6.206 -3.399 -3.006 1.00 0.00 O ATOM 1850 CB ARG A 54 3.578 -4.654 -4.570 1.00 0.00 C ATOM 1851 CG ARG A 54 3.797 -5.774 -5.610 1.00 0.00 C ATOM 1852 CD ARG A 54 2.888 -6.986 -5.296 1.00 0.00 C ATOM 1853 NE ARG A 54 3.639 -8.268 -5.499 1.00 0.00 N ATOM 1854 CZ ARG A 54 4.382 -8.470 -6.557 1.00 0.00 C ATOM 1855 NH1 ARG A 54 4.420 -7.598 -7.526 1.00 0.00 N ATOM 1856 NH2 ARG A 54 5.065 -9.578 -6.661 1.00 0.00 N ATOM 0 H ARG A 54 4.133 -3.293 -1.976 1.00 0.00 H new ATOM 0 HA ARG A 54 4.414 -6.014 -3.110 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.520 -4.583 -4.319 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.871 -3.693 -4.992 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.580 -5.398 -6.610 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.842 -6.084 -5.606 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.531 -6.925 -4.268 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.009 -6.966 -5.940 1.00 0.00 H new ATOM 0 HE ARG A 54 3.569 -9.002 -4.794 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.866 -6.744 -7.466 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.004 -7.770 -8.344 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.017 -10.278 -5.921 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.647 -9.743 -7.482 1.00 0.00 H new ATOM 1870 N ASN A 55 6.634 -5.189 -4.200 1.00 0.00 N ATOM 1871 CA ASN A 55 8.036 -4.746 -4.423 1.00 0.00 C ATOM 1872 C ASN A 55 8.014 -3.328 -4.998 1.00 0.00 C ATOM 1873 O ASN A 55 7.218 -3.008 -5.858 1.00 0.00 O ATOM 1874 CB ASN A 55 8.721 -5.697 -5.408 1.00 0.00 C ATOM 1875 CG ASN A 55 10.176 -5.274 -5.601 1.00 0.00 C ATOM 1876 OD1 ASN A 55 10.479 -4.477 -6.467 1.00 0.00 O ATOM 1877 ND2 ASN A 55 11.097 -5.786 -4.833 1.00 0.00 N ATOM 0 H ASN A 55 6.382 -6.078 -4.632 1.00 0.00 H new ATOM 0 HA ASN A 55 8.587 -4.754 -3.483 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.676 -6.720 -5.033 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.198 -5.685 -6.364 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.073 -5.518 -4.959 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.841 -6.455 -4.107 1.00 0.00 H new ATOM 1884 N ARG A 56 8.869 -2.474 -4.508 1.00 0.00 N ATOM 1885 CA ARG A 56 8.897 -1.062 -4.995 1.00 0.00 C ATOM 1886 C ARG A 56 9.423 -0.996 -6.430 1.00 0.00 C ATOM 1887 O ARG A 56 10.356 -1.685 -6.790 1.00 0.00 O ATOM 1888 CB ARG A 56 9.836 -0.251 -4.107 1.00 0.00 C ATOM 1889 CG ARG A 56 9.248 -0.143 -2.699 1.00 0.00 C ATOM 1890 CD ARG A 56 10.121 0.791 -1.864 1.00 0.00 C ATOM 1891 NE ARG A 56 9.811 0.611 -0.419 1.00 0.00 N ATOM 1892 CZ ARG A 56 10.632 1.076 0.485 1.00 0.00 C ATOM 1893 NH1 ARG A 56 11.728 1.685 0.119 1.00 0.00 N ATOM 1894 NH2 ARG A 56 10.361 0.931 1.752 1.00 0.00 N ATOM 0 H ARG A 56 9.555 -2.693 -3.786 1.00 0.00 H new ATOM 0 HA ARG A 56 7.883 -0.663 -4.963 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.816 -0.727 -4.067 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.982 0.744 -4.528 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.228 0.237 -2.746 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.200 -1.128 -2.235 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.175 0.581 -2.048 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.946 1.826 -2.157 1.00 0.00 H new ATOM 0 HE ARG A 56 8.960 0.126 -0.135 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.942 1.797 -0.872 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.369 2.048 0.824 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.507 0.454 2.039 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.003 1.295 2.456 1.00 0.00 H new ATOM 1908 N LYS A 57 8.834 -0.166 -7.251 1.00 0.00 N ATOM 1909 CA LYS A 57 9.305 -0.053 -8.659 1.00 0.00 C ATOM 1910 C LYS A 57 10.737 0.475 -8.697 1.00 0.00 C ATOM 1911 O LYS A 57 11.409 0.555 -7.689 1.00 0.00 O ATOM 1912 CB LYS A 57 8.396 0.881 -9.439 1.00 0.00 C ATOM 1913 CG LYS A 57 8.346 2.243 -8.773 1.00 0.00 C ATOM 1914 CD LYS A 57 7.400 3.126 -9.585 1.00 0.00 C ATOM 1915 CE LYS A 57 7.105 4.429 -8.840 1.00 0.00 C ATOM 1916 NZ LYS A 57 6.616 5.450 -9.812 1.00 0.00 N ATOM 0 H LYS A 57 8.049 0.437 -7.006 1.00 0.00 H new ATOM 0 HA LYS A 57 9.279 -1.043 -9.115 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.758 0.982 -10.462 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.392 0.459 -9.496 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.996 2.153 -7.745 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.341 2.685 -8.733 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.845 3.348 -10.555 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.469 2.592 -9.776 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.356 4.258 -8.066 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.005 4.787 -8.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.414 6.338 -9.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.345 5.619 -10.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.748 5.106 -10.270 1.00 0.00 H new ATOM 1930 N VAL A 58 11.215 0.825 -9.858 1.00 0.00 N ATOM 1931 CA VAL A 58 12.607 1.335 -9.968 1.00 0.00 C ATOM 1932 C VAL A 58 12.754 2.608 -9.141 1.00 0.00 C ATOM 1933 O VAL A 58 11.970 3.528 -9.260 1.00 0.00 O ATOM 1934 CB VAL A 58 12.915 1.651 -11.433 1.00 0.00 C ATOM 1935 CG1 VAL A 58 14.301 2.295 -11.543 1.00 0.00 C ATOM 1936 CG2 VAL A 58 12.883 0.356 -12.246 1.00 0.00 C ATOM 0 H VAL A 58 10.699 0.779 -10.737 1.00 0.00 H new ATOM 0 HA VAL A 58 13.299 0.578 -9.598 1.00 0.00 H new ATOM 0 HB VAL A 58 12.168 2.344 -11.821 1.00 0.00 H new ATOM 0 HG11 VAL A 58 14.516 2.518 -12.588 1.00 0.00 H new ATOM 0 HG12 VAL A 58 14.321 3.218 -10.963 1.00 0.00 H new ATOM 0 HG13 VAL A 58 15.053 1.608 -11.156 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.102 0.577 -13.291 1.00 0.00 H new ATOM 0 HG22 VAL A 58 13.630 -0.336 -11.857 1.00 0.00 H new ATOM 0 HG23 VAL A 58 11.894 -0.097 -12.170 1.00 0.00 H new