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 12 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 14 THR OG1 : rot 36:sc= 0.337 USER MOD Set 2.1: A 7 CYS SG : rot 161:sc= -0.177 USER MOD Set 2.2: A 10 CYS SG : rot -51:sc= -2.14 USER MOD Set 2.3: A 28 CYS SG : rot -122:sc= 0.876 USER MOD Set 2.4: A 31 CYS SG : rot 152:sc= -0.268 USER MOD Single : A 5 THR OG1 : rot 180:sc=0.000737 USER MOD Single : A 8 SER OG : rot 84:sc= 0.141 USER MOD Single : A 9 ASN : amide:sc= -3.32! C(o=-3.3!,f=-2.9!) USER MOD Single : A 11 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.59) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -134:sc= 0.868 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0484 USER MOD Single : A 21 SER OG : rot 180:sc= -0.052 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -6.61! C(o=-6.6!,f=-5.8!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -2.17! C(o=-2.2!,f=-2.3!) USER MOD Single : A 41 ASN : amide:sc= -1.09 X(o=-1.1,f=-0.9) 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= -0.0212 X(o=-0.021,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0513 USER MOD Single : A 55 ASN : amide:sc= -0.0292 K(o=-0.029,f=-1.3!) USER MOD Single : A 57 LYS NZ :NH3+ 137:sc= -2.26! (180deg=-4.86!) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -6.287 10.465 14.402 1.00 0.00 N ATOM 1069 CA ALA A 3 -6.967 9.834 15.572 1.00 0.00 C ATOM 1070 C ALA A 3 -8.483 9.743 15.349 1.00 0.00 C ATOM 1071 O ALA A 3 -9.158 10.741 15.198 1.00 0.00 O ATOM 1072 CB ALA A 3 -6.703 10.693 16.810 1.00 0.00 C ATOM 0 HA ALA A 3 -6.575 8.825 15.702 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.193 10.246 17.675 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.630 10.750 16.991 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.098 11.696 16.648 1.00 0.00 H new ATOM 1078 N GLY A 4 -9.026 8.551 15.353 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.501 8.394 15.174 1.00 0.00 C ATOM 1080 C GLY A 4 -10.865 8.365 13.688 1.00 0.00 C ATOM 1081 O GLY A 4 -11.997 8.112 13.326 1.00 0.00 O ATOM 0 H GLY A 4 -8.510 7.679 15.473 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.835 7.474 15.653 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.022 9.216 15.665 1.00 0.00 H new ATOM 1085 N THR A 5 -9.934 8.649 12.821 1.00 0.00 N ATOM 1086 CA THR A 5 -10.271 8.661 11.371 1.00 0.00 C ATOM 1087 C THR A 5 -10.626 7.263 10.884 1.00 0.00 C ATOM 1088 O THR A 5 -9.804 6.367 10.863 1.00 0.00 O ATOM 1089 CB THR A 5 -9.088 9.174 10.552 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.517 10.292 11.206 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.565 9.587 9.148 1.00 0.00 C ATOM 0 H THR A 5 -8.965 8.871 13.050 1.00 0.00 H new ATOM 0 HA THR A 5 -11.129 9.321 11.239 1.00 0.00 H new ATOM 0 HB THR A 5 -8.343 8.384 10.458 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.756 10.623 10.684 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.717 9.952 8.568 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.004 8.726 8.645 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.312 10.376 9.235 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.835 7.099 10.431 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.283 5.799 9.863 1.00 0.00 C ATOM 1101 C VAL A 6 -12.704 6.097 8.431 1.00 0.00 C ATOM 1102 O VAL A 6 -13.288 7.127 8.159 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.469 5.240 10.657 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.974 4.687 11.994 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.493 6.347 10.916 1.00 0.00 C ATOM 0 H VAL A 6 -12.548 7.828 10.431 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.490 5.053 9.906 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.939 4.443 10.080 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.818 4.290 12.558 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.251 3.891 11.813 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.500 5.485 12.565 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.332 5.941 11.481 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.025 7.149 11.487 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.852 6.740 9.965 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.417 5.246 7.505 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.819 5.543 6.113 1.00 0.00 C ATOM 1117 C CYS A 7 -14.337 5.594 6.027 1.00 0.00 C ATOM 1118 O CYS A 7 -15.020 4.626 6.283 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.270 4.459 5.206 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.683 4.849 3.496 1.00 0.00 S ATOM 0 H CYS A 7 -11.926 4.363 7.645 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.421 6.508 5.800 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.189 4.384 5.323 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.689 3.491 5.482 1.00 0.00 H new ATOM 0 HG CYS A 7 -11.898 4.188 2.698 1.00 0.00 H new ATOM 1125 N SER A 8 -14.872 6.724 5.678 1.00 0.00 N ATOM 1126 CA SER A 8 -16.345 6.840 5.589 1.00 0.00 C ATOM 1127 C SER A 8 -16.892 5.865 4.548 1.00 0.00 C ATOM 1128 O SER A 8 -17.939 5.278 4.735 1.00 0.00 O ATOM 1129 CB SER A 8 -16.725 8.264 5.188 1.00 0.00 C ATOM 1130 OG SER A 8 -16.384 9.154 6.242 1.00 0.00 O ATOM 0 H SER A 8 -14.352 7.572 5.451 1.00 0.00 H new ATOM 0 HA SER A 8 -16.773 6.602 6.563 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.204 8.548 4.274 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.793 8.323 4.978 1.00 0.00 H new ATOM 0 HG SER A 8 -15.440 9.406 6.165 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.221 5.704 3.432 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.763 4.788 2.392 1.00 0.00 C ATOM 1138 C ASN A 9 -16.607 3.319 2.785 1.00 0.00 C ATOM 1139 O ASN A 9 -17.490 2.533 2.508 1.00 0.00 O ATOM 1140 CB ASN A 9 -16.044 5.033 1.065 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.464 6.391 0.503 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.489 6.925 0.878 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -15.714 6.977 -0.388 1.00 0.00 N ATOM 0 H ASN A 9 -15.338 6.160 3.203 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.828 4.999 2.292 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.964 5.007 1.213 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.288 4.242 0.355 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -15.988 7.883 -0.769 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.853 6.530 -0.704 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.502 2.909 3.396 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.355 1.448 3.744 1.00 0.00 C ATOM 1152 C CYS A 10 -14.961 1.238 5.210 1.00 0.00 C ATOM 1153 O CYS A 10 -14.586 0.150 5.596 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.338 0.768 2.805 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.631 1.160 3.288 1.00 0.00 S ATOM 0 H CYS A 10 -14.719 3.507 3.661 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.331 0.983 3.604 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.486 -0.312 2.826 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.512 1.094 1.779 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.502 2.447 3.421 1.00 0.00 H new ATOM 1160 N GLN A 11 -15.080 2.239 6.040 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.766 2.068 7.491 1.00 0.00 C ATOM 1162 C GLN A 11 -13.354 1.523 7.741 1.00 0.00 C ATOM 1163 O GLN A 11 -12.964 1.352 8.880 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.798 1.120 8.116 1.00 0.00 C ATOM 1165 CG GLN A 11 -17.166 1.811 8.164 1.00 0.00 C ATOM 1166 CD GLN A 11 -17.136 2.938 9.199 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -16.678 2.748 10.309 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -17.606 4.114 8.881 1.00 0.00 N ATOM 0 H GLN A 11 -15.384 3.176 5.774 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.809 3.055 7.952 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.863 0.201 7.533 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.486 0.838 9.122 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -17.417 2.212 7.182 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.941 1.089 8.421 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -17.991 4.275 7.950 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -17.589 4.872 9.564 1.00 0.00 H new ATOM 1177 N THR A 12 -12.567 1.253 6.735 1.00 0.00 N ATOM 1178 CA THR A 12 -11.200 0.737 7.038 1.00 0.00 C ATOM 1179 C THR A 12 -10.465 1.801 7.867 1.00 0.00 C ATOM 1180 O THR A 12 -10.654 2.981 7.650 1.00 0.00 O ATOM 1181 CB THR A 12 -10.431 0.420 5.737 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.312 -0.395 6.049 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.944 1.693 5.042 1.00 0.00 C ATOM 0 H THR A 12 -12.799 1.362 5.748 1.00 0.00 H new ATOM 0 HA THR A 12 -11.267 -0.193 7.603 1.00 0.00 H new ATOM 0 HB THR A 12 -11.110 -0.096 5.059 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.819 -0.602 5.228 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.408 1.428 4.131 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.799 2.320 4.790 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.277 2.240 5.709 1.00 0.00 H new ATOM 1191 N SER A 13 -9.620 1.404 8.801 1.00 0.00 N ATOM 1192 CA SER A 13 -8.869 2.424 9.626 1.00 0.00 C ATOM 1193 C SER A 13 -7.400 2.390 9.204 1.00 0.00 C ATOM 1194 O SER A 13 -6.604 3.217 9.602 1.00 0.00 O ATOM 1195 CB SER A 13 -9.021 2.117 11.126 1.00 0.00 C ATOM 1196 OG SER A 13 -7.747 2.153 11.760 1.00 0.00 O ATOM 0 H SER A 13 -9.418 0.430 9.027 1.00 0.00 H new ATOM 0 HA SER A 13 -9.275 3.421 9.456 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.688 2.844 11.589 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.476 1.136 11.261 1.00 0.00 H new ATOM 0 HG SER A 13 -7.851 1.958 12.715 1.00 0.00 H new ATOM 1202 N THR A 14 -7.049 1.449 8.369 1.00 0.00 N ATOM 1203 CA THR A 14 -5.649 1.357 7.866 1.00 0.00 C ATOM 1204 C THR A 14 -5.626 1.936 6.454 1.00 0.00 C ATOM 1205 O THR A 14 -6.312 1.459 5.571 1.00 0.00 O ATOM 1206 CB THR A 14 -5.214 -0.110 7.821 1.00 0.00 C ATOM 1207 OG1 THR A 14 -6.232 -0.886 7.204 1.00 0.00 O ATOM 1208 CG2 THR A 14 -4.975 -0.619 9.242 1.00 0.00 C ATOM 0 H THR A 14 -7.680 0.733 8.010 1.00 0.00 H new ATOM 0 HA THR A 14 -4.971 1.905 8.520 1.00 0.00 H new ATOM 0 HB THR A 14 -4.291 -0.197 7.247 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.647 -0.367 6.484 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.665 -1.664 9.207 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.193 -0.024 9.715 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.896 -0.533 9.819 1.00 0.00 H new ATOM 1216 N THR A 15 -4.856 2.963 6.230 1.00 0.00 N ATOM 1217 CA THR A 15 -4.802 3.578 4.871 1.00 0.00 C ATOM 1218 C THR A 15 -3.388 4.055 4.597 1.00 0.00 C ATOM 1219 O THR A 15 -2.695 4.499 5.491 1.00 0.00 O ATOM 1220 CB THR A 15 -5.735 4.787 4.830 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.092 5.897 5.441 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.011 4.465 5.590 1.00 0.00 C ATOM 0 H THR A 15 -4.260 3.405 6.929 1.00 0.00 H new ATOM 0 HA THR A 15 -5.104 2.842 4.126 1.00 0.00 H new ATOM 0 HB THR A 15 -5.977 5.027 3.795 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.714 6.337 6.057 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.678 5.326 5.562 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.503 3.609 5.128 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.768 4.228 6.626 1.00 0.00 H new ATOM 1230 N THR A 16 -2.948 4.006 3.375 1.00 0.00 N ATOM 1231 CA THR A 16 -1.582 4.503 3.100 1.00 0.00 C ATOM 1232 C THR A 16 -1.626 6.032 3.188 1.00 0.00 C ATOM 1233 O THR A 16 -0.741 6.659 3.736 1.00 0.00 O ATOM 1234 CB THR A 16 -1.109 4.072 1.712 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.851 4.770 0.720 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.280 2.555 1.507 1.00 0.00 C ATOM 0 H THR A 16 -3.465 3.650 2.571 1.00 0.00 H new ATOM 0 HA THR A 16 -0.881 4.089 3.825 1.00 0.00 H new ATOM 0 HB THR A 16 -0.049 4.310 1.625 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.547 4.495 -0.170 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.934 2.281 0.510 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.695 2.019 2.254 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.332 2.290 1.612 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.680 6.632 2.680 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.823 8.126 2.763 1.00 0.00 C ATOM 1246 C LEU A 17 -4.308 8.464 2.956 1.00 0.00 C ATOM 1247 O LEU A 17 -5.162 7.959 2.256 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.284 8.811 1.484 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.721 10.210 1.818 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.475 10.092 2.737 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.360 10.949 0.503 1.00 0.00 C ATOM 0 H LEU A 17 -3.448 6.152 2.211 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.239 8.495 3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.504 8.196 1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.083 8.900 0.747 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.480 10.782 2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.093 11.088 2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.753 9.593 3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.297 9.513 2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.963 11.936 0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.610 10.376 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.254 11.054 -0.112 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.625 9.312 3.899 1.00 0.00 N ATOM 1264 CA TRP A 18 -6.048 9.684 4.140 1.00 0.00 C ATOM 1265 C TRP A 18 -6.503 10.729 3.111 1.00 0.00 C ATOM 1266 O TRP A 18 -5.839 11.723 2.895 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.155 10.283 5.552 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.150 9.177 6.564 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.149 8.907 7.433 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.182 8.185 6.809 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.509 7.809 8.200 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.755 7.332 7.851 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.438 7.948 6.231 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.549 6.280 8.305 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.238 6.892 6.684 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.797 6.060 7.716 1.00 0.00 C ATOM 0 H TRP A 18 -3.952 9.766 4.517 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.681 8.802 4.047 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.322 10.962 5.735 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.070 10.869 5.642 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.223 9.456 7.516 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -4.925 7.404 8.932 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.790 8.584 5.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.203 5.641 9.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.204 6.719 6.232 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.420 5.247 8.058 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.631 10.507 2.474 1.00 0.00 N ATOM 1288 CA ARG A 19 -8.143 11.481 1.450 1.00 0.00 C ATOM 1289 C ARG A 19 -9.414 12.158 1.973 1.00 0.00 C ATOM 1290 O ARG A 19 -9.890 11.861 3.049 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.488 10.735 0.157 1.00 0.00 C ATOM 1292 CG ARG A 19 -7.374 9.767 -0.196 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.060 10.520 -0.366 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.104 9.631 -1.086 1.00 0.00 N ATOM 1295 CZ ARG A 19 -3.969 10.090 -1.538 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.600 11.314 -1.294 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.193 9.310 -2.227 1.00 0.00 N ATOM 0 H ARG A 19 -8.223 9.689 2.619 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.373 12.228 1.257 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.426 10.194 0.279 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.634 11.447 -0.656 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.273 9.016 0.587 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.620 9.237 -1.116 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.219 11.441 -0.927 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.656 10.805 0.606 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.341 8.649 -1.228 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.201 11.928 -0.743 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.710 11.660 -1.653 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.472 8.346 -2.411 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.304 9.661 -2.584 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.982 13.046 1.193 1.00 0.00 N ATOM 1312 CA ARG A 20 -11.246 13.735 1.598 1.00 0.00 C ATOM 1313 C ARG A 20 -12.223 13.635 0.418 1.00 0.00 C ATOM 1314 O ARG A 20 -11.831 13.771 -0.724 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.949 15.208 1.901 1.00 0.00 C ATOM 1316 CG ARG A 20 -12.141 15.849 2.630 1.00 0.00 C ATOM 1317 CD ARG A 20 -12.004 15.647 4.143 1.00 0.00 C ATOM 1318 NE ARG A 20 -10.986 16.594 4.679 1.00 0.00 N ATOM 1319 CZ ARG A 20 -10.925 16.829 5.962 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -11.766 16.246 6.772 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -10.028 17.651 6.432 1.00 0.00 N ATOM 0 H ARG A 20 -9.618 13.325 0.282 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.672 13.274 2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.052 15.287 2.515 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.749 15.745 0.974 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.188 16.913 2.400 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.073 15.406 2.279 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.964 15.813 4.632 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.710 14.620 4.359 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.337 17.059 4.044 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.470 15.607 6.403 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.719 16.429 7.774 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.375 18.110 5.797 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.980 17.835 7.434 1.00 0.00 H new ATOM 1335 N SER A 21 -13.489 13.403 0.671 1.00 0.00 N ATOM 1336 CA SER A 21 -14.475 13.302 -0.460 1.00 0.00 C ATOM 1337 C SER A 21 -15.095 14.686 -0.722 1.00 0.00 C ATOM 1338 O SER A 21 -15.054 15.552 0.126 1.00 0.00 O ATOM 1339 CB SER A 21 -15.564 12.274 -0.104 1.00 0.00 C ATOM 1340 OG SER A 21 -16.850 12.813 -0.386 1.00 0.00 O ATOM 0 H SER A 21 -13.883 13.280 1.604 1.00 0.00 H new ATOM 0 HA SER A 21 -13.968 12.969 -1.366 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.411 11.358 -0.674 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.495 12.009 0.951 1.00 0.00 H new ATOM 0 HG SER A 21 -17.538 12.153 -0.159 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.657 14.904 -1.895 1.00 0.00 N ATOM 1347 CA PRO A 22 -16.273 16.223 -2.217 1.00 0.00 C ATOM 1348 C PRO A 22 -17.312 16.648 -1.166 1.00 0.00 C ATOM 1349 O PRO A 22 -17.743 17.782 -1.128 1.00 0.00 O ATOM 1350 CB PRO A 22 -16.933 15.963 -3.592 1.00 0.00 C ATOM 1351 CG PRO A 22 -16.649 14.502 -4.007 1.00 0.00 C ATOM 1352 CD PRO A 22 -15.714 13.869 -2.966 1.00 0.00 C ATOM 0 HA PRO A 22 -15.549 17.038 -2.228 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -18.007 16.138 -3.535 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -16.537 16.652 -4.338 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -17.580 13.939 -4.071 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -16.190 14.472 -4.995 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -16.107 12.923 -2.593 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.728 13.663 -3.381 1.00 0.00 H new ATOM 1360 N MET A 23 -17.716 15.735 -0.318 1.00 0.00 N ATOM 1361 CA MET A 23 -18.728 16.063 0.733 1.00 0.00 C ATOM 1362 C MET A 23 -18.020 16.334 2.063 1.00 0.00 C ATOM 1363 O MET A 23 -18.614 16.819 3.004 1.00 0.00 O ATOM 1364 CB MET A 23 -19.679 14.875 0.899 1.00 0.00 C ATOM 1365 CG MET A 23 -20.861 15.281 1.785 1.00 0.00 C ATOM 1366 SD MET A 23 -22.131 13.993 1.727 1.00 0.00 S ATOM 1367 CE MET A 23 -23.049 14.647 0.310 1.00 0.00 C ATOM 0 H MET A 23 -17.386 14.770 -0.309 1.00 0.00 H new ATOM 0 HA MET A 23 -19.289 16.949 0.436 1.00 0.00 H new ATOM 0 HB2 MET A 23 -20.039 14.546 -0.076 1.00 0.00 H new ATOM 0 HB3 MET A 23 -19.150 14.033 1.345 1.00 0.00 H new ATOM 0 HG2 MET A 23 -20.525 15.429 2.811 1.00 0.00 H new ATOM 0 HG3 MET A 23 -21.275 16.230 1.445 1.00 0.00 H new ATOM 0 HE1 MET A 23 -23.895 13.995 0.092 1.00 0.00 H new ATOM 0 HE2 MET A 23 -23.412 15.648 0.543 1.00 0.00 H new ATOM 0 HE3 MET A 23 -22.393 14.692 -0.559 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.753 16.027 2.145 1.00 0.00 N ATOM 1378 CA GLY A 24 -15.996 16.263 3.411 1.00 0.00 C ATOM 1379 C GLY A 24 -16.047 15.008 4.286 1.00 0.00 C ATOM 1380 O GLY A 24 -15.962 15.081 5.496 1.00 0.00 O ATOM 0 H GLY A 24 -16.206 15.621 1.386 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.961 16.518 3.185 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.423 17.110 3.948 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.179 13.855 3.685 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.231 12.582 4.463 1.00 0.00 C ATOM 1386 C ASP A 25 -14.860 11.873 4.373 1.00 0.00 C ATOM 1387 O ASP A 25 -14.474 11.446 3.302 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.286 11.681 3.817 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.626 12.418 3.786 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.614 13.634 3.900 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.641 11.756 3.650 1.00 0.00 O ATOM 0 H ASP A 25 -16.254 13.740 2.674 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.473 12.785 5.506 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.982 11.412 2.805 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.381 10.752 4.379 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.115 11.733 5.456 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.786 11.048 5.381 1.00 0.00 C ATOM 1398 C PRO A 26 -12.856 9.700 4.640 1.00 0.00 C ATOM 1399 O PRO A 26 -13.763 8.916 4.837 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.442 10.869 6.869 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.269 11.898 7.651 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.510 12.227 6.812 1.00 0.00 C ATOM 0 HA PRO A 26 -12.041 11.609 4.817 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.675 9.857 7.199 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.376 11.022 7.039 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.558 11.498 8.623 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.683 12.798 7.838 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.400 11.721 7.186 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.728 13.295 6.809 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.894 9.435 3.790 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.882 8.139 3.025 1.00 0.00 C ATOM 1412 C VAL A 27 -10.447 7.602 2.916 1.00 0.00 C ATOM 1413 O VAL A 27 -9.492 8.340 3.057 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.468 8.357 1.616 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -14.005 8.335 1.693 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.972 9.716 1.045 1.00 0.00 C ATOM 0 H VAL A 27 -11.113 10.059 3.589 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.492 7.409 3.558 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.135 7.559 0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.421 8.489 0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.336 7.371 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.347 9.129 2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.389 9.866 0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.296 10.525 1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.884 9.710 0.986 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.277 6.319 2.652 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.897 5.758 2.524 1.00 0.00 C ATOM 1428 C CYS A 28 -8.367 5.982 1.096 1.00 0.00 C ATOM 1429 O CYS A 28 -9.121 6.153 0.158 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.877 4.258 2.916 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.761 3.212 1.721 1.00 0.00 S ATOM 0 H CYS A 28 -11.033 5.647 2.522 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.235 6.281 3.214 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.844 3.920 2.994 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.327 4.138 3.901 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.705 2.559 2.331 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.068 6.019 0.941 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.450 6.275 -0.401 1.00 0.00 C ATOM 1438 C ASN A 29 -7.131 5.451 -1.496 1.00 0.00 C ATOM 1439 O ASN A 29 -7.267 5.896 -2.623 1.00 0.00 O ATOM 1440 CB ASN A 29 -4.965 5.901 -0.335 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.259 6.344 -1.617 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.823 6.276 -2.690 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -3.037 6.800 -1.551 1.00 0.00 N ATOM 0 H ASN A 29 -6.398 5.881 1.697 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.574 7.330 -0.647 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.500 6.375 0.529 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.858 4.824 -0.204 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.557 7.099 -2.400 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.562 6.858 -0.650 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.554 4.266 -1.195 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.207 3.436 -2.244 1.00 0.00 C ATOM 1452 C ALA A 30 -9.641 3.919 -2.537 1.00 0.00 C ATOM 1453 O ALA A 30 -10.010 4.100 -3.681 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.230 1.991 -1.780 1.00 0.00 C ATOM 0 H ALA A 30 -7.480 3.832 -0.275 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.636 3.527 -3.168 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.706 1.372 -2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.209 1.645 -1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.791 1.917 -0.848 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.464 4.106 -1.533 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.873 4.549 -1.803 1.00 0.00 C ATOM 1462 C CYS A 31 -11.882 5.864 -2.574 1.00 0.00 C ATOM 1463 O CYS A 31 -12.677 6.063 -3.456 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.634 4.778 -0.493 1.00 0.00 C ATOM 1465 SG CYS A 31 -13.134 3.206 0.224 1.00 0.00 S ATOM 0 H CYS A 31 -10.228 3.974 -0.550 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.352 3.761 -2.384 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.004 5.322 0.211 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.512 5.396 -0.678 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.228 3.328 1.515 1.00 0.00 H new ATOM 1470 N GLY A 32 -11.037 6.777 -2.226 1.00 0.00 N ATOM 1471 CA GLY A 32 -11.058 8.084 -2.928 1.00 0.00 C ATOM 1472 C GLY A 32 -10.811 7.897 -4.423 1.00 0.00 C ATOM 1473 O GLY A 32 -11.539 8.413 -5.247 1.00 0.00 O ATOM 0 H GLY A 32 -10.335 6.681 -1.492 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.020 8.571 -2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.296 8.741 -2.508 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.791 7.177 -4.788 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.515 6.987 -6.240 1.00 0.00 C ATOM 1479 C LEU A 33 -10.608 6.117 -6.859 1.00 0.00 C ATOM 1480 O LEU A 33 -11.124 6.413 -7.916 1.00 0.00 O ATOM 1481 CB LEU A 33 -8.161 6.301 -6.402 1.00 0.00 C ATOM 1482 CG LEU A 33 -7.068 7.147 -5.732 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.815 6.292 -5.524 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.718 8.362 -6.608 1.00 0.00 C ATOM 0 H LEU A 33 -9.141 6.715 -4.153 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.500 7.954 -6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.190 5.307 -5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.934 6.168 -7.460 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.438 7.500 -4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.040 6.893 -5.049 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.057 5.441 -4.887 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.456 5.933 -6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.942 8.951 -6.119 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.357 8.019 -7.578 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.607 8.977 -6.748 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.969 5.045 -6.215 1.00 0.00 N ATOM 1497 CA TYR A 34 -12.027 4.163 -6.777 1.00 0.00 C ATOM 1498 C TYR A 34 -13.313 4.966 -6.925 1.00 0.00 C ATOM 1499 O TYR A 34 -13.959 4.956 -7.954 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.274 3.005 -5.808 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.198 1.991 -6.440 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.578 2.220 -6.462 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -12.673 0.819 -6.999 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.434 1.276 -7.043 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -13.529 -0.123 -7.580 1.00 0.00 C ATOM 1506 CZ TYR A 34 -14.909 0.105 -7.602 1.00 0.00 C ATOM 1507 OH TYR A 34 -15.753 -0.824 -8.176 1.00 0.00 O ATOM 0 H TYR A 34 -10.577 4.741 -5.324 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.714 3.777 -7.747 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.328 2.532 -5.544 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.711 3.381 -4.883 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.983 3.124 -6.031 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.608 0.642 -6.982 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.499 1.452 -7.060 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.124 -1.026 -8.012 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.227 -1.577 -8.517 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.692 5.651 -5.888 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.937 6.452 -5.926 1.00 0.00 C ATOM 1519 C TYR A 35 -14.820 7.579 -6.958 1.00 0.00 C ATOM 1520 O TYR A 35 -15.700 7.805 -7.744 1.00 0.00 O ATOM 1521 CB TYR A 35 -15.184 7.060 -4.541 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.638 7.418 -4.428 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -17.080 8.654 -4.896 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.543 6.503 -3.876 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.434 8.985 -4.815 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.897 6.831 -3.790 1.00 0.00 C ATOM 1527 CZ TYR A 35 -19.346 8.074 -4.260 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.683 8.399 -4.181 1.00 0.00 O ATOM 0 H TYR A 35 -13.184 5.689 -5.004 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.767 5.803 -6.207 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.907 6.350 -3.761 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.564 7.946 -4.400 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.376 9.355 -5.321 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -17.194 5.546 -3.518 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.779 9.941 -5.179 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.598 6.129 -3.362 1.00 0.00 H new ATOM 0 HH TYR A 35 -21.176 7.657 -3.772 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.755 8.308 -6.948 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.628 9.428 -7.919 1.00 0.00 C ATOM 1540 C LYS A 36 -13.696 8.891 -9.350 1.00 0.00 C ATOM 1541 O LYS A 36 -14.319 9.475 -10.214 1.00 0.00 O ATOM 1542 CB LYS A 36 -12.278 10.111 -7.697 1.00 0.00 C ATOM 1543 CG LYS A 36 -12.110 11.266 -8.677 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.847 12.056 -8.314 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.594 11.190 -8.516 1.00 0.00 C ATOM 1546 NZ LYS A 36 -8.425 12.076 -8.786 1.00 0.00 N ATOM 0 H LYS A 36 -12.965 8.184 -6.315 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.442 10.138 -7.770 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.212 10.479 -6.673 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.471 9.391 -7.829 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.035 10.886 -9.696 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.983 11.917 -8.643 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.781 12.951 -8.932 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.904 12.388 -7.277 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.409 10.584 -7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.743 10.501 -9.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.573 11.495 -8.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.605 12.636 -9.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.281 12.716 -7.979 1.00 0.00 H new ATOM 1560 N LEU A 37 -13.052 7.795 -9.611 1.00 0.00 N ATOM 1561 CA LEU A 37 -13.064 7.230 -10.989 1.00 0.00 C ATOM 1562 C LEU A 37 -14.451 6.663 -11.361 1.00 0.00 C ATOM 1563 O LEU A 37 -14.881 6.803 -12.488 1.00 0.00 O ATOM 1564 CB LEU A 37 -11.993 6.124 -11.074 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.641 6.708 -11.526 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.285 7.961 -10.703 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.557 5.640 -11.341 1.00 0.00 C ATOM 0 H LEU A 37 -12.514 7.261 -8.929 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.843 8.026 -11.700 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.881 5.644 -10.102 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.314 5.353 -11.775 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.708 6.998 -12.574 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.327 8.357 -11.039 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.058 8.717 -10.839 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.218 7.696 -9.648 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.594 6.040 -11.657 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.504 5.354 -10.291 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.802 4.765 -11.943 1.00 0.00 H new ATOM 1579 N HIS A 38 -15.137 5.999 -10.451 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.478 5.399 -10.802 1.00 0.00 C ATOM 1581 C HIS A 38 -17.607 5.933 -9.908 1.00 0.00 C ATOM 1582 O HIS A 38 -18.723 5.473 -10.010 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.406 3.879 -10.628 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.419 3.293 -11.599 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.799 2.839 -12.853 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -14.069 3.059 -11.508 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.698 2.356 -13.459 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.616 2.467 -12.684 1.00 0.00 N ATOM 0 H HIS A 38 -14.832 5.847 -9.490 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.700 5.674 -11.833 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -16.112 3.636 -9.607 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.391 3.440 -10.789 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.452 3.298 -10.654 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.691 1.930 -14.452 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -12.663 2.180 -12.906 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.345 6.885 -9.048 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.403 7.462 -8.142 1.00 0.00 C ATOM 1598 C GLN A 39 -19.499 6.455 -7.764 1.00 0.00 C ATOM 1599 O GLN A 39 -20.675 6.751 -7.823 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.990 8.736 -8.778 1.00 0.00 C ATOM 1601 CG GLN A 39 -20.070 8.408 -9.853 1.00 0.00 C ATOM 1602 CD GLN A 39 -21.460 8.832 -9.363 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -22.286 7.998 -9.049 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -21.751 10.102 -9.285 1.00 0.00 N ATOM 0 H GLN A 39 -16.421 7.301 -8.928 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.920 7.721 -7.200 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -19.431 9.360 -8.000 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -18.188 9.316 -9.235 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -19.833 8.923 -10.784 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -20.064 7.340 -10.069 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.057 10.801 -9.549 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -22.672 10.395 -8.960 1.00 0.00 H new ATOM 1613 N VAL A 40 -19.116 5.278 -7.338 1.00 0.00 N ATOM 1614 CA VAL A 40 -20.111 4.256 -6.911 1.00 0.00 C ATOM 1615 C VAL A 40 -19.559 3.507 -5.701 1.00 0.00 C ATOM 1616 O VAL A 40 -18.363 3.343 -5.549 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.370 3.246 -8.027 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.179 3.888 -9.161 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -19.037 2.714 -8.555 1.00 0.00 C ATOM 0 H VAL A 40 -18.143 4.981 -7.268 1.00 0.00 H new ATOM 0 HA VAL A 40 -21.045 4.762 -6.667 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.952 2.416 -7.626 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.353 3.152 -9.946 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.136 4.237 -8.773 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.624 4.732 -9.571 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.223 1.993 -9.351 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.444 3.541 -8.945 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.493 2.228 -7.745 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.419 3.031 -4.853 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.949 2.267 -3.664 1.00 0.00 C ATOM 1631 C ASN A 41 -19.728 0.813 -4.093 1.00 0.00 C ATOM 1632 O ASN A 41 -20.542 0.247 -4.797 1.00 0.00 O ATOM 1633 CB ASN A 41 -21.016 2.311 -2.567 1.00 0.00 C ATOM 1634 CG ASN A 41 -22.305 1.675 -3.093 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -23.165 2.361 -3.612 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.477 0.385 -2.985 1.00 0.00 N ATOM 0 H ASN A 41 -21.431 3.136 -4.929 1.00 0.00 H new ATOM 0 HA ASN A 41 -19.026 2.700 -3.279 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.668 1.777 -1.683 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -21.202 3.342 -2.265 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.332 -0.047 -3.336 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -21.756 -0.191 -2.550 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.634 0.208 -3.695 1.00 0.00 N ATOM 1644 CA ARG A 42 -18.348 -1.212 -4.100 1.00 0.00 C ATOM 1645 C ARG A 42 -18.221 -2.104 -2.841 1.00 0.00 C ATOM 1646 O ARG A 42 -17.808 -1.634 -1.800 1.00 0.00 O ATOM 1647 CB ARG A 42 -17.033 -1.227 -4.911 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.817 -0.864 -4.032 1.00 0.00 C ATOM 1649 CD ARG A 42 -15.905 0.591 -3.527 1.00 0.00 C ATOM 1650 NE ARG A 42 -16.511 0.608 -2.167 1.00 0.00 N ATOM 1651 CZ ARG A 42 -16.375 1.655 -1.400 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -15.739 2.710 -1.833 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -16.884 1.649 -0.198 1.00 0.00 N ATOM 0 H ARG A 42 -17.921 0.636 -3.104 1.00 0.00 H new ATOM 0 HA ARG A 42 -19.161 -1.604 -4.710 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.885 -2.215 -5.347 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -17.108 -0.522 -5.739 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.764 -1.544 -3.182 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.899 -0.998 -4.604 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.912 1.039 -3.500 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -16.506 1.189 -4.212 1.00 0.00 H new ATOM 0 HE ARG A 42 -17.034 -0.202 -1.834 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.346 2.718 -2.774 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.635 3.526 -1.230 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.386 0.828 0.139 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.780 2.466 0.404 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.564 -3.382 -2.920 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.453 -4.287 -1.736 1.00 0.00 C ATOM 1669 C PRO A 43 -17.143 -4.100 -0.952 1.00 0.00 C ATOM 1670 O PRO A 43 -16.133 -3.694 -1.492 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.533 -5.682 -2.380 1.00 0.00 C ATOM 1672 CG PRO A 43 -19.122 -5.519 -3.794 1.00 0.00 C ATOM 1673 CD PRO A 43 -19.087 -4.023 -4.167 1.00 0.00 C ATOM 0 HA PRO A 43 -19.225 -4.096 -0.990 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -17.544 -6.137 -2.429 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -19.158 -6.344 -1.780 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -18.548 -6.103 -4.514 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -20.145 -5.893 -3.824 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -18.437 -3.834 -5.022 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -20.076 -3.649 -4.430 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.166 -4.393 0.321 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.940 -4.242 1.160 1.00 0.00 C ATOM 1683 C LEU A 44 -15.046 -5.469 0.990 1.00 0.00 C ATOM 1684 O LEU A 44 -14.035 -5.611 1.646 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.347 -4.118 2.635 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.871 -2.701 2.916 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -18.281 -2.531 2.335 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.910 -2.466 4.428 1.00 0.00 C ATOM 0 H LEU A 44 -17.988 -4.733 0.820 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.397 -3.350 0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.116 -4.853 2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.492 -4.333 3.276 1.00 0.00 H new ATOM 0 HG LEU A 44 -16.206 -1.976 2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.640 -1.523 2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -18.252 -2.693 1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.953 -3.256 2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -17.281 -1.461 4.631 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.571 -3.198 4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.906 -2.571 4.839 1.00 0.00 H new ATOM 1700 N THR A 45 -15.423 -6.357 0.124 1.00 0.00 N ATOM 1701 CA THR A 45 -14.609 -7.583 -0.087 1.00 0.00 C ATOM 1702 C THR A 45 -13.166 -7.188 -0.430 1.00 0.00 C ATOM 1703 O THR A 45 -12.293 -8.027 -0.538 1.00 0.00 O ATOM 1704 CB THR A 45 -15.216 -8.395 -1.234 1.00 0.00 C ATOM 1705 OG1 THR A 45 -15.347 -7.566 -2.382 1.00 0.00 O ATOM 1706 CG2 THR A 45 -16.595 -8.913 -0.816 1.00 0.00 C ATOM 0 H THR A 45 -16.263 -6.289 -0.451 1.00 0.00 H new ATOM 0 HA THR A 45 -14.605 -8.186 0.821 1.00 0.00 H new ATOM 0 HB THR A 45 -14.567 -9.239 -1.468 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.734 -8.085 -3.118 1.00 0.00 H new ATOM 0 HG21 THR A 45 -17.029 -9.492 -1.632 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.494 -9.547 0.065 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.245 -8.070 -0.583 1.00 0.00 H new ATOM 1714 N MET A 46 -12.910 -5.916 -0.610 1.00 0.00 N ATOM 1715 CA MET A 46 -11.523 -5.461 -0.958 1.00 0.00 C ATOM 1716 C MET A 46 -10.716 -5.149 0.318 1.00 0.00 C ATOM 1717 O MET A 46 -9.504 -5.064 0.287 1.00 0.00 O ATOM 1718 CB MET A 46 -11.617 -4.194 -1.826 1.00 0.00 C ATOM 1719 CG MET A 46 -10.304 -3.974 -2.608 1.00 0.00 C ATOM 1720 SD MET A 46 -10.439 -4.737 -4.250 1.00 0.00 S ATOM 1721 CE MET A 46 -9.576 -3.450 -5.193 1.00 0.00 C ATOM 0 H MET A 46 -13.601 -5.170 -0.531 1.00 0.00 H new ATOM 0 HA MET A 46 -11.015 -6.256 -1.503 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.451 -4.284 -2.522 1.00 0.00 H new ATOM 0 HB3 MET A 46 -11.821 -3.329 -1.195 1.00 0.00 H new ATOM 0 HG2 MET A 46 -10.102 -2.907 -2.707 1.00 0.00 H new ATOM 0 HG3 MET A 46 -9.466 -4.408 -2.062 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.547 -3.728 -6.246 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.103 -2.502 -5.082 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.558 -3.345 -4.818 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.374 -4.954 1.431 1.00 0.00 N ATOM 1732 CA ARG A 47 -10.634 -4.621 2.693 1.00 0.00 C ATOM 1733 C ARG A 47 -10.053 -5.880 3.343 1.00 0.00 C ATOM 1734 O ARG A 47 -10.695 -6.908 3.444 1.00 0.00 O ATOM 1735 CB ARG A 47 -11.586 -3.924 3.690 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.577 -2.405 3.461 1.00 0.00 C ATOM 1737 CD ARG A 47 -11.896 -2.090 1.992 1.00 0.00 C ATOM 1738 NE ARG A 47 -10.641 -2.145 1.165 1.00 0.00 N ATOM 1739 CZ ARG A 47 -9.617 -1.368 1.413 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -9.712 -0.411 2.296 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -8.507 -1.526 0.744 1.00 0.00 N ATOM 0 H ARG A 47 -12.388 -5.010 1.525 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.812 -3.953 2.435 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.598 -4.311 3.569 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -11.280 -4.147 4.712 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.310 -1.927 4.111 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.602 -1.995 3.725 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.624 -2.805 1.609 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.348 -1.101 1.914 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.586 -2.806 0.390 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.588 -0.265 2.798 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.910 0.191 2.484 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.440 -2.253 0.031 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.707 -0.923 0.934 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.836 -5.773 3.812 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.156 -6.908 4.503 1.00 0.00 C ATOM 1757 C LYS A 48 -7.618 -6.389 5.841 1.00 0.00 C ATOM 1758 O LYS A 48 -7.340 -5.216 5.990 1.00 0.00 O ATOM 1759 CB LYS A 48 -7.003 -7.425 3.639 1.00 0.00 C ATOM 1760 CG LYS A 48 -7.569 -8.141 2.410 1.00 0.00 C ATOM 1761 CD LYS A 48 -6.430 -8.501 1.449 1.00 0.00 C ATOM 1762 CE LYS A 48 -5.531 -9.576 2.072 1.00 0.00 C ATOM 1763 NZ LYS A 48 -4.737 -10.238 0.998 1.00 0.00 N ATOM 0 H LYS A 48 -8.273 -4.925 3.743 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.855 -7.728 4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.366 -6.596 3.329 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.379 -8.108 4.216 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.099 -9.043 2.715 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.294 -7.501 1.906 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.841 -8.862 0.506 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.842 -7.612 1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.865 -9.127 2.808 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.137 -10.313 2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.126 -10.968 1.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.382 -10.679 0.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.148 -9.530 0.515 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.511 -7.236 6.826 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.037 -6.786 8.173 1.00 0.00 C ATOM 1779 C ASP A 49 -5.708 -6.012 8.095 1.00 0.00 C ATOM 1780 O ASP A 49 -5.157 -5.635 9.111 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.843 -8.006 9.077 1.00 0.00 C ATOM 1782 CG ASP A 49 -8.061 -8.926 8.978 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -9.087 -8.584 9.544 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -7.945 -9.959 8.341 1.00 0.00 O ATOM 0 H ASP A 49 -7.732 -8.229 6.759 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.795 -6.116 8.578 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.943 -8.547 8.784 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.701 -7.686 10.109 1.00 0.00 H new ATOM 1789 N GLY A 50 -5.182 -5.758 6.924 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.891 -4.998 6.840 1.00 0.00 C ATOM 1791 C GLY A 50 -3.793 -4.267 5.497 1.00 0.00 C ATOM 1792 O GLY A 50 -4.622 -4.439 4.626 1.00 0.00 O ATOM 0 H GLY A 50 -5.583 -6.039 6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.829 -4.280 7.658 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.050 -5.682 6.952 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.761 -3.476 5.303 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.593 -2.775 4.001 1.00 0.00 C ATOM 1798 C ILE A 51 -1.850 -3.718 3.047 1.00 0.00 C ATOM 1799 O ILE A 51 -0.860 -4.325 3.405 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.779 -1.488 4.200 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.479 -0.610 5.255 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.682 -0.722 2.868 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.967 0.833 5.178 1.00 0.00 C ATOM 0 H ILE A 51 -2.033 -3.290 5.993 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.566 -2.507 3.589 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.774 -1.738 4.538 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.557 -0.629 5.095 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.298 -1.014 6.251 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.104 0.190 3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.190 -1.348 2.123 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.683 -0.465 2.522 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.472 1.439 5.930 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.893 0.848 5.362 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.172 1.239 4.187 1.00 0.00 H new ATOM 1815 N GLN A 52 -2.311 -3.833 1.835 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.616 -4.724 0.860 1.00 0.00 C ATOM 1817 C GLN A 52 -0.273 -4.094 0.491 1.00 0.00 C ATOM 1818 O GLN A 52 -0.126 -2.894 0.501 1.00 0.00 O ATOM 1819 CB GLN A 52 -2.455 -4.873 -0.413 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.706 -5.704 -0.133 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.589 -5.708 -1.384 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.807 -6.741 -1.985 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -5.100 -4.582 -1.807 1.00 0.00 N ATOM 0 H GLN A 52 -3.135 -3.352 1.476 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.471 -5.706 1.311 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.740 -3.889 -0.785 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.862 -5.349 -1.193 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.429 -6.723 0.136 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.253 -5.288 0.713 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.915 -3.716 -1.301 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.683 -4.569 -2.644 1.00 0.00 H new ATOM 1832 N THR A 53 0.723 -4.886 0.196 1.00 0.00 N ATOM 1833 CA THR A 53 2.058 -4.302 -0.159 1.00 0.00 C ATOM 1834 C THR A 53 2.675 -5.065 -1.327 1.00 0.00 C ATOM 1835 O THR A 53 2.376 -6.216 -1.578 1.00 0.00 O ATOM 1836 CB THR A 53 2.994 -4.354 1.049 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.339 -4.439 0.602 1.00 0.00 O ATOM 1838 CG2 THR A 53 2.654 -5.571 1.897 1.00 0.00 C ATOM 0 H THR A 53 0.675 -5.905 0.184 1.00 0.00 H new ATOM 0 HA THR A 53 1.916 -3.262 -0.453 1.00 0.00 H new ATOM 0 HB THR A 53 2.872 -3.451 1.648 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.940 -4.471 1.376 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.320 -5.611 2.759 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.621 -5.499 2.239 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.777 -6.475 1.301 1.00 0.00 H new ATOM 1846 N ARG A 54 3.531 -4.400 -2.042 1.00 0.00 N ATOM 1847 CA ARG A 54 4.198 -5.021 -3.222 1.00 0.00 C ATOM 1848 C ARG A 54 5.575 -4.383 -3.416 1.00 0.00 C ATOM 1849 O ARG A 54 5.881 -3.354 -2.848 1.00 0.00 O ATOM 1850 CB ARG A 54 3.329 -4.790 -4.477 1.00 0.00 C ATOM 1851 CG ARG A 54 3.577 -5.901 -5.518 1.00 0.00 C ATOM 1852 CD ARG A 54 2.705 -7.126 -5.203 1.00 0.00 C ATOM 1853 NE ARG A 54 3.258 -8.322 -5.901 1.00 0.00 N ATOM 1854 CZ ARG A 54 2.857 -9.518 -5.563 1.00 0.00 C ATOM 1855 NH1 ARG A 54 1.970 -9.668 -4.618 1.00 0.00 N ATOM 1856 NH2 ARG A 54 3.343 -10.566 -6.173 1.00 0.00 N ATOM 0 H ARG A 54 3.804 -3.435 -1.858 1.00 0.00 H new ATOM 0 HA ARG A 54 4.318 -6.092 -3.060 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.275 -4.773 -4.199 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.560 -3.818 -4.912 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.349 -5.531 -6.518 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.630 -6.184 -5.515 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.678 -7.300 -4.127 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.678 -6.947 -5.523 1.00 0.00 H new ATOM 0 HE ARG A 54 3.949 -8.206 -6.642 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.589 -8.850 -4.142 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.658 -10.603 -4.355 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.035 -10.450 -6.913 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.030 -11.500 -5.909 1.00 0.00 H new ATOM 1870 N ASN A 55 6.407 -4.990 -4.212 1.00 0.00 N ATOM 1871 CA ASN A 55 7.761 -4.420 -4.437 1.00 0.00 C ATOM 1872 C ASN A 55 7.611 -2.957 -4.863 1.00 0.00 C ATOM 1873 O ASN A 55 6.713 -2.596 -5.596 1.00 0.00 O ATOM 1874 CB ASN A 55 8.479 -5.227 -5.517 1.00 0.00 C ATOM 1875 CG ASN A 55 8.723 -6.645 -4.998 1.00 0.00 C ATOM 1876 OD1 ASN A 55 8.940 -6.842 -3.819 1.00 0.00 O ATOM 1877 ND2 ASN A 55 8.679 -7.650 -5.830 1.00 0.00 N ATOM 0 H ASN A 55 6.208 -5.855 -4.716 1.00 0.00 H new ATOM 0 HA ASN A 55 8.352 -4.468 -3.522 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.879 -5.257 -6.426 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.426 -4.752 -5.775 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.827 -8.600 -5.490 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.497 -7.485 -6.820 1.00 0.00 H new ATOM 1884 N ARG A 56 8.465 -2.113 -4.357 1.00 0.00 N ATOM 1885 CA ARG A 56 8.372 -0.655 -4.660 1.00 0.00 C ATOM 1886 C ARG A 56 8.559 -0.364 -6.152 1.00 0.00 C ATOM 1887 O ARG A 56 9.506 -0.800 -6.776 1.00 0.00 O ATOM 1888 CB ARG A 56 9.460 0.084 -3.882 1.00 0.00 C ATOM 1889 CG ARG A 56 9.267 -0.151 -2.384 1.00 0.00 C ATOM 1890 CD ARG A 56 10.193 0.780 -1.604 1.00 0.00 C ATOM 1891 NE ARG A 56 10.016 0.548 -0.140 1.00 0.00 N ATOM 1892 CZ ARG A 56 10.891 1.018 0.707 1.00 0.00 C ATOM 1893 NH1 ARG A 56 11.909 1.713 0.279 1.00 0.00 N ATOM 1894 NH2 ARG A 56 10.748 0.794 1.986 1.00 0.00 N ATOM 0 H ARG A 56 9.233 -2.373 -3.739 1.00 0.00 H new ATOM 0 HA ARG A 56 7.377 -0.318 -4.369 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.445 -0.266 -4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.418 1.151 -4.102 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.229 0.033 -2.106 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.484 -1.190 -2.136 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.230 0.601 -1.888 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.971 1.819 -1.848 1.00 0.00 H new ATOM 0 HE ARG A 56 9.211 0.022 0.199 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.022 1.890 -0.719 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.592 2.079 0.943 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.953 0.252 2.323 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.432 1.161 2.648 1.00 0.00 H new ATOM 1908 N LYS A 57 7.658 0.399 -6.710 1.00 0.00 N ATOM 1909 CA LYS A 57 7.743 0.778 -8.150 1.00 0.00 C ATOM 1910 C LYS A 57 9.188 1.163 -8.499 1.00 0.00 C ATOM 1911 O LYS A 57 9.984 1.466 -7.634 1.00 0.00 O ATOM 1912 CB LYS A 57 6.840 1.997 -8.373 1.00 0.00 C ATOM 1913 CG LYS A 57 6.505 2.150 -9.864 1.00 0.00 C ATOM 1914 CD LYS A 57 6.131 3.602 -10.163 1.00 0.00 C ATOM 1915 CE LYS A 57 5.006 4.071 -9.229 1.00 0.00 C ATOM 1916 NZ LYS A 57 5.584 4.495 -7.924 1.00 0.00 N ATOM 0 H LYS A 57 6.851 0.783 -6.218 1.00 0.00 H new ATOM 0 HA LYS A 57 7.431 -0.058 -8.776 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.921 1.887 -7.797 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.337 2.897 -8.011 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.360 1.852 -10.471 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.680 1.490 -10.131 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.005 4.242 -10.039 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.812 3.695 -11.201 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.463 4.900 -9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.288 3.266 -9.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.129 5.377 -7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.421 3.752 -7.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.606 4.652 -8.032 1.00 0.00 H new ATOM 1930 N VAL A 58 9.521 1.184 -9.760 1.00 0.00 N ATOM 1931 CA VAL A 58 10.897 1.582 -10.161 1.00 0.00 C ATOM 1932 C VAL A 58 11.147 3.004 -9.654 1.00 0.00 C ATOM 1933 O VAL A 58 10.244 3.815 -9.606 1.00 0.00 O ATOM 1934 CB VAL A 58 11.000 1.562 -11.691 1.00 0.00 C ATOM 1935 CG1 VAL A 58 12.324 2.200 -12.132 1.00 0.00 C ATOM 1936 CG2 VAL A 58 10.939 0.112 -12.182 1.00 0.00 C ATOM 0 H VAL A 58 8.898 0.942 -10.530 1.00 0.00 H new ATOM 0 HA VAL A 58 11.632 0.895 -9.741 1.00 0.00 H new ATOM 0 HB VAL A 58 10.172 2.129 -12.118 1.00 0.00 H new ATOM 0 HG11 VAL A 58 12.392 2.183 -13.220 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.365 3.231 -11.782 1.00 0.00 H new ATOM 0 HG13 VAL A 58 13.157 1.639 -11.708 1.00 0.00 H new ATOM 0 HG21 VAL A 58 11.012 0.093 -13.269 1.00 0.00 H new ATOM 0 HG22 VAL A 58 11.767 -0.453 -11.753 1.00 0.00 H new ATOM 0 HG23 VAL A 58 9.995 -0.337 -11.874 1.00 0.00 H new