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= 0.122 USER MOD Set 1.2: A 29 ASN : amide:sc= -8.02! C(o=-7.9!,f=-7.8!) USER MOD Set 2.1: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 14 THR OG1 : rot 44:sc= 0.224 USER MOD Set 3.1: A 7 CYS SG : rot 156:sc= 0.267 USER MOD Set 3.2: A 10 CYS SG : rot -52:sc= -4.17 USER MOD Set 3.3: A 28 CYS SG : rot -120:sc= 0.623 USER MOD Set 3.4: A 31 CYS SG : rot 151:sc= 0.0568 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 81:sc= 0.58 USER MOD Single : A 9 ASN : amide:sc= -3.74! C(o=-3.7!,f=-3.8!) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 13 SER OG : rot 6:sc= 0.743 USER MOD Single : A 15 THR OG1 : rot -135:sc= 0.57 USER MOD Single : A 21 SER OG : rot -102:sc= -0.0591 USER MOD Single : A 23 MET CE :methyl 180:sc= -0.201 (180deg=-0.201) 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= -7.04! K(o=-7!,f=-4.1) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 41 ASN : amide:sc= -1.36 K(o=-1.4,f=-8.4!) USER MOD Single : A 45 THR OG1 : rot -21:sc= 0.387 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 137:sc= -1.41 (180deg=-3.5!) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 55 ASN : amide:sc= -0.422 K(o=-0.42,f=-5.4!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -6.825 10.806 14.973 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.165 9.687 15.910 1.00 0.00 C ATOM 1070 C ALA A 3 -8.644 9.288 15.776 1.00 0.00 C ATOM 1071 O ALA A 3 -9.537 10.057 16.075 1.00 0.00 O ATOM 1072 CB ALA A 3 -6.916 10.162 17.345 1.00 0.00 C ATOM 0 HA ALA A 3 -6.545 8.824 15.667 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.159 9.359 18.041 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.868 10.438 17.460 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.544 11.027 17.556 1.00 0.00 H new ATOM 1078 N GLY A 4 -8.901 8.079 15.339 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.314 7.602 15.193 1.00 0.00 C ATOM 1080 C GLY A 4 -10.821 7.796 13.754 1.00 0.00 C ATOM 1081 O GLY A 4 -11.956 7.486 13.451 1.00 0.00 O ATOM 0 H GLY A 4 -8.189 7.398 15.075 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.374 6.548 15.464 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.957 8.146 15.884 1.00 0.00 H new ATOM 1085 N THR A 5 -10.010 8.304 12.863 1.00 0.00 N ATOM 1086 CA THR A 5 -10.489 8.504 11.460 1.00 0.00 C ATOM 1087 C THR A 5 -10.914 7.162 10.878 1.00 0.00 C ATOM 1088 O THR A 5 -10.120 6.249 10.761 1.00 0.00 O ATOM 1089 CB THR A 5 -9.372 9.079 10.583 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.841 10.251 11.184 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.927 9.430 9.195 1.00 0.00 C ATOM 0 H THR A 5 -9.046 8.587 13.041 1.00 0.00 H new ATOM 0 HA THR A 5 -11.328 9.200 11.478 1.00 0.00 H new ATOM 0 HB THR A 5 -8.584 8.333 10.482 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.126 10.613 10.620 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.128 9.838 8.576 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.327 8.531 8.725 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.721 10.170 9.297 1.00 0.00 H new ATOM 1099 N VAL A 6 -12.152 7.049 10.475 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.648 5.786 9.848 1.00 0.00 C ATOM 1101 C VAL A 6 -13.038 6.138 8.420 1.00 0.00 C ATOM 1102 O VAL A 6 -13.593 7.190 8.172 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.876 5.262 10.605 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -13.448 4.705 11.966 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.882 6.399 10.814 1.00 0.00 C ATOM 0 H VAL A 6 -12.851 7.788 10.554 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.883 5.010 9.875 1.00 0.00 H new ATOM 0 HB VAL A 6 -14.342 4.469 10.019 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -14.324 4.334 12.499 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.740 3.889 11.819 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.975 5.495 12.550 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.752 6.021 11.352 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.415 7.196 11.393 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.196 6.790 9.846 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.756 5.300 7.470 1.00 0.00 N ATOM 1116 CA CYS A 7 -13.117 5.643 6.074 1.00 0.00 C ATOM 1117 C CYS A 7 -14.621 5.772 5.931 1.00 0.00 C ATOM 1118 O CYS A 7 -15.369 4.840 6.147 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.592 4.556 5.151 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.978 4.969 3.433 1.00 0.00 S ATOM 0 H CYS A 7 -12.295 4.399 7.597 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.669 6.600 5.807 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.514 4.450 5.276 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.039 3.597 5.413 1.00 0.00 H new ATOM 0 HG CYS A 7 -12.135 4.372 2.643 1.00 0.00 H new ATOM 1125 N SER A 8 -15.063 6.936 5.565 1.00 0.00 N ATOM 1126 CA SER A 8 -16.515 7.164 5.398 1.00 0.00 C ATOM 1127 C SER A 8 -17.075 6.223 4.331 1.00 0.00 C ATOM 1128 O SER A 8 -18.175 5.722 4.456 1.00 0.00 O ATOM 1129 CB SER A 8 -16.745 8.609 4.957 1.00 0.00 C ATOM 1130 OG SER A 8 -16.430 9.484 6.032 1.00 0.00 O ATOM 0 H SER A 8 -14.474 7.746 5.373 1.00 0.00 H new ATOM 0 HA SER A 8 -17.019 6.973 6.345 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.125 8.840 4.091 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.782 8.748 4.652 1.00 0.00 H new ATOM 0 HG SER A 8 -15.460 9.620 6.069 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.354 6.008 3.257 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.898 5.136 2.180 1.00 0.00 C ATOM 1138 C ASN A 9 -16.826 3.650 2.538 1.00 0.00 C ATOM 1139 O ASN A 9 -17.735 2.912 2.207 1.00 0.00 O ATOM 1140 CB ASN A 9 -16.100 5.373 0.900 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.421 6.763 0.354 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.439 7.336 0.686 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -15.588 7.333 -0.471 1.00 0.00 N ATOM 0 H ASN A 9 -15.426 6.394 3.084 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.948 5.395 2.046 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -15.032 5.287 1.102 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.346 4.613 0.159 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -15.791 8.262 -0.839 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.734 6.850 -0.748 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.761 3.172 3.167 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.687 1.698 3.472 1.00 0.00 C ATOM 1152 C CYS A 10 -15.372 1.424 4.947 1.00 0.00 C ATOM 1153 O CYS A 10 -15.050 0.310 5.310 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.651 1.021 2.556 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.961 1.314 3.149 1.00 0.00 S ATOM 0 H CYS A 10 -14.961 3.726 3.474 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.671 1.271 3.276 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.844 -0.051 2.514 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.754 1.403 1.541 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.780 2.588 3.332 1.00 0.00 H new ATOM 1160 N GLN A 11 -15.501 2.399 5.809 1.00 0.00 N ATOM 1161 CA GLN A 11 -15.265 2.170 7.271 1.00 0.00 C ATOM 1162 C GLN A 11 -13.871 1.593 7.580 1.00 0.00 C ATOM 1163 O GLN A 11 -13.556 1.355 8.729 1.00 0.00 O ATOM 1164 CB GLN A 11 -16.336 1.212 7.815 1.00 0.00 C ATOM 1165 CG GLN A 11 -17.711 1.891 7.777 1.00 0.00 C ATOM 1166 CD GLN A 11 -18.779 0.918 8.288 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -18.534 -0.267 8.400 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -19.965 1.370 8.600 1.00 0.00 N ATOM 0 H GLN A 11 -15.762 3.354 5.563 1.00 0.00 H new ATOM 0 HA GLN A 11 -15.323 3.144 7.756 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -16.355 0.299 7.221 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -16.092 0.922 8.837 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -17.700 2.791 8.392 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.946 2.203 6.759 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -20.173 2.364 8.507 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -20.683 0.728 8.937 1.00 0.00 H new ATOM 1177 N THR A 12 -13.027 1.357 6.609 1.00 0.00 N ATOM 1178 CA THR A 12 -11.681 0.791 6.952 1.00 0.00 C ATOM 1179 C THR A 12 -10.888 1.820 7.778 1.00 0.00 C ATOM 1180 O THR A 12 -11.108 3.008 7.652 1.00 0.00 O ATOM 1181 CB THR A 12 -10.921 0.421 5.662 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.844 -0.444 5.989 1.00 0.00 O ATOM 1183 CG2 THR A 12 -10.372 1.665 4.960 1.00 0.00 C ATOM 0 H THR A 12 -13.201 1.525 5.618 1.00 0.00 H new ATOM 0 HA THR A 12 -11.805 -0.115 7.546 1.00 0.00 H new ATOM 0 HB THR A 12 -11.617 -0.073 4.984 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.358 -0.684 5.173 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.842 1.368 4.055 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.196 2.328 4.697 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.686 2.186 5.627 1.00 0.00 H new ATOM 1191 N SER A 13 -9.960 1.378 8.617 1.00 0.00 N ATOM 1192 CA SER A 13 -9.146 2.353 9.443 1.00 0.00 C ATOM 1193 C SER A 13 -7.682 2.291 8.997 1.00 0.00 C ATOM 1194 O SER A 13 -6.864 3.096 9.398 1.00 0.00 O ATOM 1195 CB SER A 13 -9.255 2.009 10.931 1.00 0.00 C ATOM 1196 OG SER A 13 -8.158 2.584 11.631 1.00 0.00 O ATOM 0 H SER A 13 -9.733 0.394 8.764 1.00 0.00 H new ATOM 0 HA SER A 13 -9.531 3.361 9.293 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.195 2.385 11.334 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.260 0.927 11.066 1.00 0.00 H new ATOM 0 HG SER A 13 -7.634 3.141 11.018 1.00 0.00 H new ATOM 1202 N THR A 14 -7.352 1.351 8.150 1.00 0.00 N ATOM 1203 CA THR A 14 -5.950 1.238 7.645 1.00 0.00 C ATOM 1204 C THR A 14 -5.888 1.927 6.287 1.00 0.00 C ATOM 1205 O THR A 14 -6.569 1.536 5.360 1.00 0.00 O ATOM 1206 CB THR A 14 -5.587 -0.240 7.473 1.00 0.00 C ATOM 1207 OG1 THR A 14 -6.680 -0.928 6.882 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.277 -0.856 8.835 1.00 0.00 C ATOM 0 H THR A 14 -7.998 0.652 7.784 1.00 0.00 H new ATOM 0 HA THR A 14 -5.254 1.699 8.346 1.00 0.00 H new ATOM 0 HB THR A 14 -4.710 -0.324 6.831 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.039 -0.397 6.141 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.019 -1.908 8.709 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.439 -0.329 9.290 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.152 -0.772 9.480 1.00 0.00 H new ATOM 1216 N THR A 15 -5.092 2.955 6.154 1.00 0.00 N ATOM 1217 CA THR A 15 -5.016 3.669 4.844 1.00 0.00 C ATOM 1218 C THR A 15 -3.592 4.158 4.609 1.00 0.00 C ATOM 1219 O THR A 15 -2.897 4.532 5.531 1.00 0.00 O ATOM 1220 CB THR A 15 -5.930 4.896 4.889 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.248 5.963 5.533 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.187 4.576 5.686 1.00 0.00 C ATOM 0 H THR A 15 -4.494 3.330 6.891 1.00 0.00 H new ATOM 0 HA THR A 15 -5.319 2.988 4.049 1.00 0.00 H new ATOM 0 HB THR A 15 -6.200 5.176 3.871 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.848 6.394 6.177 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.833 5.453 5.714 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.717 3.750 5.213 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.912 4.295 6.703 1.00 0.00 H new ATOM 1230 N THR A 16 -3.161 4.199 3.381 1.00 0.00 N ATOM 1231 CA THR A 16 -1.795 4.714 3.112 1.00 0.00 C ATOM 1232 C THR A 16 -1.859 6.237 3.208 1.00 0.00 C ATOM 1233 O THR A 16 -0.956 6.880 3.705 1.00 0.00 O ATOM 1234 CB THR A 16 -1.332 4.314 1.710 1.00 0.00 C ATOM 1235 OG1 THR A 16 -2.107 5.013 0.747 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.485 2.804 1.493 1.00 0.00 C ATOM 0 H THR A 16 -3.690 3.901 2.561 1.00 0.00 H new ATOM 0 HA THR A 16 -1.090 4.298 3.831 1.00 0.00 H new ATOM 0 HB THR A 16 -0.278 4.571 1.602 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.814 4.762 -0.154 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.149 2.545 0.489 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.883 2.268 2.227 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.532 2.524 1.609 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.945 6.817 2.750 1.00 0.00 N ATOM 1245 CA LEU A 17 -3.100 8.304 2.828 1.00 0.00 C ATOM 1246 C LEU A 17 -4.593 8.643 2.984 1.00 0.00 C ATOM 1247 O LEU A 17 -5.432 8.156 2.251 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.533 8.971 1.553 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.966 10.367 1.877 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.749 10.249 2.833 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.557 11.075 0.559 1.00 0.00 C ATOM 0 H LEU A 17 -3.730 6.323 2.326 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.546 8.683 3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.750 8.345 1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.318 9.057 0.801 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.732 10.959 2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.360 11.244 3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.060 9.769 3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.030 9.652 2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.156 12.063 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.797 10.483 0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.430 11.177 -0.085 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.929 9.481 3.927 1.00 0.00 N ATOM 1264 CA TRP A 18 -6.356 9.864 4.123 1.00 0.00 C ATOM 1265 C TRP A 18 -6.739 10.914 3.070 1.00 0.00 C ATOM 1266 O TRP A 18 -6.049 11.901 2.900 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.512 10.470 5.526 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.501 9.374 6.553 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.510 9.155 7.448 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.505 8.344 6.798 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.844 8.056 8.224 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -7.061 7.523 7.861 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.742 8.044 6.207 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.818 6.445 8.321 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.505 6.959 6.665 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -9.044 6.161 7.717 1.00 0.00 C ATOM 0 H TRP A 18 -4.273 9.919 4.573 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.001 8.991 4.021 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.702 11.173 5.721 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.444 11.032 5.589 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.607 9.740 7.542 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.259 7.687 8.973 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.109 8.653 5.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.459 5.836 9.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.455 6.739 6.202 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.636 5.326 8.062 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.827 10.712 2.359 1.00 0.00 N ATOM 1288 CA ARG A 19 -8.251 11.703 1.309 1.00 0.00 C ATOM 1289 C ARG A 19 -9.561 12.361 1.729 1.00 0.00 C ATOM 1290 O ARG A 19 -10.546 11.694 1.940 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.507 10.985 -0.033 1.00 0.00 C ATOM 1292 CG ARG A 19 -7.434 9.939 -0.294 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.103 10.624 -0.559 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.158 9.620 -1.120 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.032 9.994 -1.656 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.674 11.244 -1.645 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.262 9.109 -2.210 1.00 0.00 N ATOM 0 H ARG A 19 -8.441 9.904 2.460 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.458 12.442 1.198 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.488 10.511 -0.016 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.518 11.713 -0.845 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.346 9.272 0.564 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.713 9.323 -1.149 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.235 11.451 -1.257 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.704 11.046 0.363 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.395 8.629 -1.084 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.278 11.944 -1.213 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.789 11.525 -2.068 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.540 8.128 -2.224 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.378 9.394 -2.632 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.615 13.646 1.840 1.00 0.00 N ATOM 1312 CA ARG A 20 -10.907 14.269 2.219 1.00 0.00 C ATOM 1313 C ARG A 20 -11.851 14.154 1.007 1.00 0.00 C ATOM 1314 O ARG A 20 -11.430 14.318 -0.122 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.661 15.737 2.570 1.00 0.00 C ATOM 1316 CG ARG A 20 -11.906 16.342 3.243 1.00 0.00 C ATOM 1317 CD ARG A 20 -11.839 16.108 4.753 1.00 0.00 C ATOM 1318 NE ARG A 20 -10.719 16.906 5.324 1.00 0.00 N ATOM 1319 CZ ARG A 20 -10.638 17.078 6.610 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -11.522 16.524 7.394 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -9.672 17.794 7.117 1.00 0.00 N ATOM 0 H ARG A 20 -8.837 14.288 1.689 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.352 13.775 3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.803 15.819 3.237 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.419 16.298 1.667 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.962 17.410 3.033 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.809 15.888 2.834 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.781 16.396 5.220 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.690 15.049 4.962 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.017 17.316 4.708 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.273 15.959 6.997 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.462 16.656 8.404 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.978 18.221 6.504 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.611 17.927 8.126 1.00 0.00 H new ATOM 1335 N SER A 21 -13.117 13.873 1.219 1.00 0.00 N ATOM 1336 CA SER A 21 -14.065 13.747 0.055 1.00 0.00 C ATOM 1337 C SER A 21 -14.714 15.112 -0.232 1.00 0.00 C ATOM 1338 O SER A 21 -14.716 15.987 0.608 1.00 0.00 O ATOM 1339 CB SER A 21 -15.143 12.695 0.372 1.00 0.00 C ATOM 1340 OG SER A 21 -16.437 13.225 0.096 1.00 0.00 O ATOM 0 H SER A 21 -13.535 13.726 2.138 1.00 0.00 H new ATOM 0 HA SER A 21 -13.515 13.426 -0.829 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.974 11.798 -0.224 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.078 12.399 1.419 1.00 0.00 H new ATOM 0 HG SER A 21 -16.868 13.490 0.935 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.253 15.300 -1.421 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.895 16.597 -1.785 1.00 0.00 C ATOM 1348 C PRO A 22 -16.962 17.038 -0.768 1.00 0.00 C ATOM 1349 O PRO A 22 -17.316 18.197 -0.689 1.00 0.00 O ATOM 1350 CB PRO A 22 -16.528 16.284 -3.162 1.00 0.00 C ATOM 1351 CG PRO A 22 -16.224 14.815 -3.523 1.00 0.00 C ATOM 1352 CD PRO A 22 -15.258 14.246 -2.478 1.00 0.00 C ATOM 0 HA PRO A 22 -15.186 17.425 -1.801 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.605 16.450 -3.130 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -16.125 16.952 -3.924 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -17.145 14.232 -3.544 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -15.784 14.753 -4.518 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.601 13.287 -2.091 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.263 14.085 -2.893 1.00 0.00 H new ATOM 1360 N MET A 23 -17.480 16.119 0.007 1.00 0.00 N ATOM 1361 CA MET A 23 -18.526 16.477 1.014 1.00 0.00 C ATOM 1362 C MET A 23 -17.870 16.689 2.381 1.00 0.00 C ATOM 1363 O MET A 23 -18.503 17.113 3.326 1.00 0.00 O ATOM 1364 CB MET A 23 -19.541 15.336 1.112 1.00 0.00 C ATOM 1365 CG MET A 23 -20.355 15.255 -0.182 1.00 0.00 C ATOM 1366 SD MET A 23 -19.306 14.630 -1.521 1.00 0.00 S ATOM 1367 CE MET A 23 -20.143 15.483 -2.880 1.00 0.00 C ATOM 0 H MET A 23 -17.223 15.132 -0.014 1.00 0.00 H new ATOM 0 HA MET A 23 -19.029 17.394 0.707 1.00 0.00 H new ATOM 0 HB2 MET A 23 -19.025 14.392 1.288 1.00 0.00 H new ATOM 0 HB3 MET A 23 -20.205 15.499 1.961 1.00 0.00 H new ATOM 0 HG2 MET A 23 -21.214 14.599 -0.043 1.00 0.00 H new ATOM 0 HG3 MET A 23 -20.745 16.240 -0.441 1.00 0.00 H new ATOM 0 HE1 MET A 23 -19.652 15.237 -3.822 1.00 0.00 H new ATOM 0 HE2 MET A 23 -21.185 15.167 -2.921 1.00 0.00 H new ATOM 0 HE3 MET A 23 -20.096 16.560 -2.717 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.609 16.374 2.494 1.00 0.00 N ATOM 1378 CA GLY A 24 -15.905 16.532 3.800 1.00 0.00 C ATOM 1379 C GLY A 24 -16.033 15.233 4.596 1.00 0.00 C ATOM 1380 O GLY A 24 -16.012 15.234 5.811 1.00 0.00 O ATOM 0 H GLY A 24 -16.032 16.012 1.734 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.854 16.770 3.635 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.335 17.361 4.361 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.169 14.117 3.921 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.300 12.805 4.620 1.00 0.00 C ATOM 1386 C ASP A 25 -14.955 12.044 4.532 1.00 0.00 C ATOM 1387 O ASP A 25 -14.582 11.598 3.470 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.365 11.988 3.879 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.648 12.814 3.752 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.644 13.950 4.195 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.613 12.294 3.213 1.00 0.00 O ATOM 0 H ASP A 25 -16.195 14.062 2.903 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.572 12.956 5.665 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -17.001 11.708 2.890 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.568 11.062 4.418 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.218 11.881 5.611 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.912 11.153 5.535 1.00 0.00 C ATOM 1398 C PRO A 26 -13.008 9.798 4.799 1.00 0.00 C ATOM 1399 O PRO A 26 -13.892 9.004 5.051 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.570 10.970 7.027 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.380 12.011 7.814 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.599 12.393 6.963 1.00 0.00 C ATOM 0 HA PRO A 26 -12.158 11.692 4.961 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.818 9.961 7.357 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.502 11.107 7.196 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.696 11.604 8.774 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.771 12.890 8.026 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.513 11.928 7.331 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.769 13.470 6.957 1.00 0.00 H new ATOM 1410 N VAL A 27 -12.072 9.528 3.911 1.00 0.00 N ATOM 1411 CA VAL A 27 -12.069 8.210 3.173 1.00 0.00 C ATOM 1412 C VAL A 27 -10.639 7.671 3.076 1.00 0.00 C ATOM 1413 O VAL A 27 -9.685 8.412 3.191 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.639 8.358 1.761 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -14.151 8.582 1.836 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.958 9.531 1.054 1.00 0.00 C ATOM 0 H VAL A 27 -11.311 10.160 3.664 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.697 7.517 3.732 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.449 7.448 1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.554 8.687 0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.621 7.730 2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.357 9.488 2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.365 9.635 0.048 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.138 10.448 1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.885 9.347 0.994 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.472 6.389 2.843 1.00 0.00 N ATOM 1427 CA CYS A 28 -9.095 5.827 2.729 1.00 0.00 C ATOM 1428 C CYS A 28 -8.546 6.068 1.315 1.00 0.00 C ATOM 1429 O CYS A 28 -9.283 6.309 0.379 1.00 0.00 O ATOM 1430 CB CYS A 28 -9.093 4.324 3.088 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.933 3.305 1.837 1.00 0.00 S ATOM 0 H CYS A 28 -11.228 5.714 2.728 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.441 6.335 3.438 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -8.064 3.982 3.199 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.581 4.184 4.053 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.932 2.680 2.386 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.246 6.051 1.174 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.603 6.328 -0.151 1.00 0.00 C ATOM 1438 C ASN A 29 -7.222 5.496 -1.277 1.00 0.00 C ATOM 1439 O ASN A 29 -7.437 5.991 -2.365 1.00 0.00 O ATOM 1440 CB ASN A 29 -5.114 5.988 -0.049 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.395 6.417 -1.325 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.978 6.432 -2.391 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -3.140 6.771 -1.260 1.00 0.00 N ATOM 0 H ASN A 29 -6.591 5.854 1.931 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.757 7.380 -0.389 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.675 6.491 0.813 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.986 4.917 0.108 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.647 7.061 -2.105 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.652 6.758 -0.364 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.493 4.250 -1.055 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.074 3.433 -2.157 1.00 0.00 C ATOM 1452 C ALA A 30 -9.472 3.957 -2.544 1.00 0.00 C ATOM 1453 O ALA A 30 -9.744 4.202 -3.703 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.156 1.981 -1.713 1.00 0.00 C ATOM 0 H ALA A 30 -7.342 3.761 -0.173 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.433 3.508 -3.035 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.581 1.378 -2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.157 1.616 -1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.790 1.906 -0.829 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.364 4.119 -1.596 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.746 4.614 -1.933 1.00 0.00 C ATOM 1462 C CYS A 31 -11.675 5.932 -2.699 1.00 0.00 C ATOM 1463 O CYS A 31 -12.357 6.140 -3.668 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.543 4.896 -0.646 1.00 0.00 C ATOM 1465 SG CYS A 31 -13.177 3.370 0.068 1.00 0.00 S ATOM 0 H CYS A 31 -10.200 3.932 -0.607 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.226 3.841 -2.533 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.904 5.402 0.078 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.371 5.570 -0.867 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.273 3.501 1.358 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.879 6.833 -2.248 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.818 8.147 -2.927 1.00 0.00 C ATOM 1472 C GLY A 32 -10.521 7.980 -4.416 1.00 0.00 C ATOM 1473 O GLY A 32 -11.164 8.579 -5.253 1.00 0.00 O ATOM 0 H GLY A 32 -10.265 6.725 -1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.765 8.671 -2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.047 8.763 -2.465 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.543 7.197 -4.757 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.201 7.026 -6.196 1.00 0.00 C ATOM 1479 C LEU A 33 -10.289 6.241 -6.936 1.00 0.00 C ATOM 1480 O LEU A 33 -10.867 6.726 -7.885 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.873 6.275 -6.302 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.754 7.102 -5.656 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.526 6.210 -5.454 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.383 8.297 -6.554 1.00 0.00 C ATOM 0 H LEU A 33 -8.964 6.667 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.122 8.011 -6.655 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.952 5.306 -5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.637 6.082 -7.348 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.099 7.483 -4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.726 6.791 -4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.786 5.374 -4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.190 5.829 -6.419 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.588 8.874 -6.082 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.041 7.932 -7.522 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.258 8.932 -6.694 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.577 5.040 -6.528 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.627 4.268 -7.251 1.00 0.00 C ATOM 1498 C TYR A 34 -12.961 5.009 -7.194 1.00 0.00 C ATOM 1499 O TYR A 34 -13.682 5.077 -8.169 1.00 0.00 O ATOM 1500 CB TYR A 34 -11.794 2.875 -6.643 1.00 0.00 C ATOM 1501 CG TYR A 34 -12.934 2.174 -7.350 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -12.834 1.879 -8.716 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -14.095 1.837 -6.648 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -13.895 1.250 -9.376 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -15.156 1.209 -7.307 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.057 0.917 -8.672 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.104 0.300 -9.323 1.00 0.00 O ATOM 0 H TYR A 34 -10.141 4.563 -5.739 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.313 4.164 -8.290 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.873 2.302 -6.750 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.000 2.950 -5.575 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.937 2.137 -9.260 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -14.172 2.062 -5.595 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.817 1.022 -10.429 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -16.052 0.949 -6.763 1.00 0.00 H new ATOM 0 HH TYR A 34 -16.833 0.137 -8.689 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.307 5.556 -6.066 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.600 6.279 -5.965 1.00 0.00 C ATOM 1519 C TYR A 35 -14.563 7.504 -6.879 1.00 0.00 C ATOM 1520 O TYR A 35 -15.489 7.794 -7.590 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.829 6.725 -4.517 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.282 7.072 -4.323 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.741 8.336 -4.692 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.167 6.135 -3.768 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.085 8.674 -4.506 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.511 6.469 -3.584 1.00 0.00 C ATOM 1527 CZ TYR A 35 -18.972 7.740 -3.952 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.297 8.075 -3.766 1.00 0.00 O ATOM 0 H TYR A 35 -12.751 5.534 -5.211 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.413 5.619 -6.269 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.539 5.930 -3.830 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.204 7.588 -4.288 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.058 9.054 -5.122 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.809 5.156 -3.483 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.440 9.654 -4.789 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.194 5.748 -3.159 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.775 7.315 -3.373 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.501 8.237 -6.862 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.430 9.441 -7.730 1.00 0.00 C ATOM 1540 C LYS A 36 -13.574 9.036 -9.199 1.00 0.00 C ATOM 1541 O LYS A 36 -14.268 9.676 -9.962 1.00 0.00 O ATOM 1542 CB LYS A 36 -12.067 10.092 -7.504 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.892 11.307 -8.407 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.562 11.989 -8.068 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.378 11.122 -8.527 1.00 0.00 C ATOM 1546 NZ LYS A 36 -8.170 11.982 -8.661 1.00 0.00 N ATOM 0 H LYS A 36 -12.676 8.061 -6.288 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.234 10.136 -7.486 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.971 10.392 -6.460 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.276 9.369 -7.702 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.904 11.004 -9.454 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.719 12.003 -8.267 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.514 12.965 -8.551 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.499 12.161 -6.994 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.194 10.324 -7.807 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.608 10.645 -9.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.364 11.403 -8.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.351 12.728 -9.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.950 12.417 -7.742 1.00 0.00 H new ATOM 1560 N LEU A 37 -12.913 7.994 -9.604 1.00 0.00 N ATOM 1561 CA LEU A 37 -12.997 7.558 -11.028 1.00 0.00 C ATOM 1562 C LEU A 37 -14.351 6.895 -11.339 1.00 0.00 C ATOM 1563 O LEU A 37 -14.889 7.071 -12.415 1.00 0.00 O ATOM 1564 CB LEU A 37 -11.861 6.552 -11.303 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.595 7.285 -11.765 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.152 8.294 -10.705 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.481 6.262 -11.986 1.00 0.00 C ATOM 0 H LEU A 37 -12.314 7.420 -9.011 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.901 8.436 -11.666 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.648 5.979 -10.400 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.175 5.840 -12.066 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.806 7.817 -12.693 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.253 8.808 -11.045 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.946 9.023 -10.542 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.941 7.772 -9.772 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.577 6.774 -12.315 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.281 5.735 -11.053 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.790 5.546 -12.748 1.00 0.00 H new ATOM 1579 N HIS A 38 -14.875 6.092 -10.442 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.161 5.364 -10.730 1.00 0.00 C ATOM 1581 C HIS A 38 -17.309 5.824 -9.820 1.00 0.00 C ATOM 1582 O HIS A 38 -18.439 5.430 -10.014 1.00 0.00 O ATOM 1583 CB HIS A 38 -15.904 3.873 -10.513 1.00 0.00 C ATOM 1584 CG HIS A 38 -14.689 3.474 -11.302 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -14.774 2.874 -12.550 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -13.349 3.603 -11.039 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -13.519 2.667 -12.986 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -12.611 3.092 -12.103 1.00 0.00 N ATOM 0 H HIS A 38 -14.471 5.907 -9.524 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.465 5.577 -11.755 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -15.751 3.666 -9.454 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -16.769 3.290 -10.830 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -12.930 4.035 -10.142 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -13.275 2.212 -13.935 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -11.596 3.051 -12.190 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.047 6.653 -8.847 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.119 7.154 -7.926 1.00 0.00 C ATOM 1598 C GLN A 39 -19.190 6.092 -7.628 1.00 0.00 C ATOM 1599 O GLN A 39 -20.376 6.352 -7.666 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.724 8.452 -8.486 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.466 8.194 -9.806 1.00 0.00 C ATOM 1602 CD GLN A 39 -20.186 9.474 -10.242 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -19.722 10.566 -9.980 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -21.312 9.386 -10.898 1.00 0.00 N ATOM 0 H GLN A 39 -16.115 7.015 -8.644 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.659 7.376 -6.963 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -19.412 8.880 -7.757 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -17.934 9.185 -8.647 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -18.762 7.879 -10.576 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -20.184 7.384 -9.680 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.703 8.470 -11.119 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.800 10.233 -11.189 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.766 4.904 -7.268 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.725 3.821 -6.901 1.00 0.00 C ATOM 1615 C VAL A 40 -19.211 3.112 -5.649 1.00 0.00 C ATOM 1616 O VAL A 40 -18.026 2.918 -5.465 1.00 0.00 O ATOM 1617 CB VAL A 40 -19.844 2.796 -8.025 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -20.662 3.364 -9.189 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -18.447 2.414 -8.497 1.00 0.00 C ATOM 0 H VAL A 40 -17.783 4.638 -7.213 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.704 4.267 -6.724 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.360 1.911 -7.653 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.735 2.618 -9.980 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.662 3.622 -8.839 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.172 4.257 -9.577 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -18.522 1.681 -9.301 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -17.931 3.302 -8.862 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -17.887 1.985 -7.666 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.105 2.723 -4.796 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.708 2.013 -3.542 1.00 0.00 C ATOM 1631 C ASN A 41 -19.621 0.503 -3.812 1.00 0.00 C ATOM 1632 O ASN A 41 -20.477 -0.058 -4.467 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.771 2.269 -2.471 1.00 0.00 C ATOM 1634 CG ASN A 41 -22.114 1.719 -2.954 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.301 1.497 -4.135 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -23.064 1.486 -2.090 1.00 0.00 N ATOM 0 H ASN A 41 -21.109 2.865 -4.908 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.738 2.378 -3.204 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.484 1.790 -1.535 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.853 3.337 -2.271 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.962 1.118 -2.406 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.909 1.672 -1.099 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.605 -0.166 -3.308 1.00 0.00 N ATOM 1644 CA ARG A 42 -18.477 -1.650 -3.531 1.00 0.00 C ATOM 1645 C ARG A 42 -18.807 -2.382 -2.213 1.00 0.00 C ATOM 1646 O ARG A 42 -18.592 -1.837 -1.149 1.00 0.00 O ATOM 1647 CB ARG A 42 -17.037 -1.975 -3.945 1.00 0.00 C ATOM 1648 CG ARG A 42 -16.802 -1.571 -5.415 1.00 0.00 C ATOM 1649 CD ARG A 42 -17.163 -2.734 -6.347 1.00 0.00 C ATOM 1650 NE ARG A 42 -16.262 -3.889 -6.075 1.00 0.00 N ATOM 1651 CZ ARG A 42 -16.561 -5.070 -6.545 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -17.674 -5.245 -7.202 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -15.753 -6.076 -6.349 1.00 0.00 N ATOM 0 H ARG A 42 -17.858 0.251 -2.752 1.00 0.00 H new ATOM 0 HA ARG A 42 -19.163 -1.970 -4.315 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.337 -1.446 -3.298 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.846 -3.041 -3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -17.406 -0.697 -5.661 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.759 -1.289 -5.560 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -18.202 -3.026 -6.195 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -17.068 -2.423 -7.387 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.414 -3.758 -5.523 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -18.309 -4.460 -7.348 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -17.909 -6.167 -7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.887 -5.940 -5.828 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.988 -6.998 -6.717 1.00 0.00 H new ATOM 1667 N PRO A 43 -19.331 -3.599 -2.257 1.00 0.00 N ATOM 1668 CA PRO A 43 -19.668 -4.329 -0.994 1.00 0.00 C ATOM 1669 C PRO A 43 -18.432 -4.626 -0.112 1.00 0.00 C ATOM 1670 O PRO A 43 -18.268 -5.707 0.415 1.00 0.00 O ATOM 1671 CB PRO A 43 -20.319 -5.626 -1.525 1.00 0.00 C ATOM 1672 CG PRO A 43 -20.061 -5.710 -3.041 1.00 0.00 C ATOM 1673 CD PRO A 43 -19.629 -4.318 -3.532 1.00 0.00 C ATOM 0 HA PRO A 43 -20.312 -3.748 -0.334 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -19.900 -6.496 -1.020 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -21.390 -5.624 -1.321 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -19.286 -6.446 -3.255 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -20.961 -6.035 -3.563 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -18.755 -4.371 -4.181 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -20.419 -3.826 -4.100 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.589 -3.650 0.072 1.00 0.00 N ATOM 1682 CA LEU A 44 -16.386 -3.831 0.937 1.00 0.00 C ATOM 1683 C LEU A 44 -15.662 -5.148 0.633 1.00 0.00 C ATOM 1684 O LEU A 44 -14.821 -5.586 1.394 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.856 -3.847 2.401 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.822 -2.440 2.986 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.865 -1.565 2.289 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -17.128 -2.509 4.483 1.00 0.00 C ATOM 0 H LEU A 44 -17.681 -2.723 -0.344 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.689 -3.015 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.868 -4.248 2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -16.217 -4.507 2.987 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.833 -2.007 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.837 -0.560 2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.646 -1.517 1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.856 -1.993 2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -17.105 -1.505 4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -18.117 -2.943 4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -16.381 -3.129 4.979 1.00 0.00 H new ATOM 1700 N THR A 45 -15.969 -5.788 -0.446 1.00 0.00 N ATOM 1701 CA THR A 45 -15.278 -7.069 -0.747 1.00 0.00 C ATOM 1702 C THR A 45 -13.840 -6.780 -1.184 1.00 0.00 C ATOM 1703 O THR A 45 -13.033 -7.676 -1.339 1.00 0.00 O ATOM 1704 CB THR A 45 -16.024 -7.803 -1.862 1.00 0.00 C ATOM 1705 OG1 THR A 45 -15.368 -9.031 -2.138 1.00 0.00 O ATOM 1706 CG2 THR A 45 -16.051 -6.933 -3.121 1.00 0.00 C ATOM 0 H THR A 45 -16.662 -5.488 -1.132 1.00 0.00 H new ATOM 0 HA THR A 45 -15.264 -7.696 0.145 1.00 0.00 H new ATOM 0 HB THR A 45 -17.048 -8.004 -1.546 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.441 -8.985 -1.822 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.583 -7.458 -3.915 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.559 -5.994 -2.903 1.00 0.00 H new ATOM 0 HG23 THR A 45 -15.030 -6.727 -3.443 1.00 0.00 H new ATOM 1714 N MET A 46 -13.525 -5.533 -1.418 1.00 0.00 N ATOM 1715 CA MET A 46 -12.149 -5.172 -1.888 1.00 0.00 C ATOM 1716 C MET A 46 -11.268 -4.706 -0.717 1.00 0.00 C ATOM 1717 O MET A 46 -10.058 -4.672 -0.819 1.00 0.00 O ATOM 1718 CB MET A 46 -12.282 -4.040 -2.916 1.00 0.00 C ATOM 1719 CG MET A 46 -10.933 -3.748 -3.585 1.00 0.00 C ATOM 1720 SD MET A 46 -10.478 -5.113 -4.684 1.00 0.00 S ATOM 1721 CE MET A 46 -9.619 -4.120 -5.936 1.00 0.00 C ATOM 0 H MET A 46 -14.162 -4.744 -1.304 1.00 0.00 H new ATOM 0 HA MET A 46 -11.676 -6.048 -2.332 1.00 0.00 H new ATOM 0 HB2 MET A 46 -13.016 -4.315 -3.673 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.652 -3.140 -2.426 1.00 0.00 H new ATOM 0 HG2 MET A 46 -10.992 -2.819 -4.151 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.163 -3.610 -2.825 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.248 -4.773 -6.726 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.311 -3.393 -6.361 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.782 -3.597 -5.474 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.846 -4.335 0.390 1.00 0.00 N ATOM 1732 CA ARG A 47 -10.997 -3.856 1.520 1.00 0.00 C ATOM 1733 C ARG A 47 -10.185 -5.003 2.104 1.00 0.00 C ATOM 1734 O ARG A 47 -10.667 -6.105 2.278 1.00 0.00 O ATOM 1735 CB ARG A 47 -11.863 -3.264 2.628 1.00 0.00 C ATOM 1736 CG ARG A 47 -12.889 -2.312 2.028 1.00 0.00 C ATOM 1737 CD ARG A 47 -12.203 -1.169 1.283 1.00 0.00 C ATOM 1738 NE ARG A 47 -11.744 -1.623 -0.057 1.00 0.00 N ATOM 1739 CZ ARG A 47 -11.455 -0.738 -0.969 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -11.516 0.535 -0.685 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -11.099 -1.119 -2.159 1.00 0.00 N ATOM 0 H ARG A 47 -12.851 -4.341 0.563 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.326 -3.092 1.127 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.368 -4.062 3.173 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -11.238 -2.734 3.347 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.541 -2.857 1.345 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.522 -1.908 2.818 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.893 -0.332 1.174 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.353 -0.808 1.862 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.656 -2.619 -0.260 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.790 0.836 0.250 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.290 1.228 -1.398 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.045 -2.113 -2.381 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.873 -0.424 -2.871 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.955 -4.725 2.440 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.071 -5.755 3.056 1.00 0.00 C ATOM 1757 C LYS A 48 -7.750 -5.298 4.478 1.00 0.00 C ATOM 1758 O LYS A 48 -7.340 -4.176 4.699 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.771 -5.867 2.252 1.00 0.00 C ATOM 1760 CG LYS A 48 -7.061 -6.505 0.891 1.00 0.00 C ATOM 1761 CD LYS A 48 -5.749 -6.677 0.108 1.00 0.00 C ATOM 1762 CE LYS A 48 -5.133 -5.307 -0.231 1.00 0.00 C ATOM 1763 NZ LYS A 48 -4.157 -4.927 0.830 1.00 0.00 N ATOM 0 H LYS A 48 -8.518 -3.812 2.311 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.564 -6.727 3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.330 -4.880 2.115 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.044 -6.468 2.799 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.543 -7.473 1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.753 -5.881 0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.043 -7.263 0.696 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.938 -7.233 -0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.636 -5.349 -1.200 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.916 -4.553 -0.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.302 -4.531 0.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.585 -4.216 1.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.902 -5.769 1.385 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.946 -6.145 5.444 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.678 -5.766 6.861 1.00 0.00 C ATOM 1779 C ASP A 49 -6.235 -5.268 7.042 1.00 0.00 C ATOM 1780 O ASP A 49 -5.799 -5.016 8.149 1.00 0.00 O ATOM 1781 CB ASP A 49 -7.922 -6.982 7.755 1.00 0.00 C ATOM 1782 CG ASP A 49 -7.725 -6.594 9.221 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -8.607 -5.953 9.769 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -6.691 -6.939 9.769 1.00 0.00 O ATOM 0 H ASP A 49 -8.285 -7.098 5.313 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.349 -4.953 7.139 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.933 -7.361 7.602 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.236 -7.786 7.487 1.00 0.00 H new ATOM 1789 N GLY A 50 -5.485 -5.113 5.977 1.00 0.00 N ATOM 1790 CA GLY A 50 -4.079 -4.624 6.120 1.00 0.00 C ATOM 1791 C GLY A 50 -3.652 -3.862 4.861 1.00 0.00 C ATOM 1792 O GLY A 50 -4.281 -3.949 3.824 1.00 0.00 O ATOM 0 H GLY A 50 -5.784 -5.303 5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.999 -3.974 6.992 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.409 -5.467 6.288 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.552 -3.154 4.933 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.032 -2.426 3.744 1.00 0.00 C ATOM 1798 C ILE A 51 -0.998 -3.320 3.050 1.00 0.00 C ATOM 1799 O ILE A 51 0.035 -3.616 3.619 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.372 -1.130 4.217 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.424 -0.314 4.990 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -0.860 -0.330 3.008 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.960 1.130 5.162 1.00 0.00 C ATOM 0 H ILE A 51 -1.989 -3.051 5.777 1.00 0.00 H new ATOM 0 HA ILE A 51 -2.836 -2.187 3.048 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.522 -1.351 4.862 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.374 -0.336 4.456 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.597 -0.765 5.967 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.391 0.591 3.354 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.129 -0.926 2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.696 -0.088 2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.716 1.692 5.710 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.022 1.147 5.716 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.811 1.583 4.182 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.240 -3.775 1.849 1.00 0.00 N ATOM 1816 CA GLN A 52 -0.229 -4.659 1.198 1.00 0.00 C ATOM 1817 C GLN A 52 0.971 -3.838 0.741 1.00 0.00 C ATOM 1818 O GLN A 52 0.938 -2.624 0.711 1.00 0.00 O ATOM 1819 CB GLN A 52 -0.844 -5.390 -0.001 1.00 0.00 C ATOM 1820 CG GLN A 52 -1.008 -4.456 -1.190 1.00 0.00 C ATOM 1821 CD GLN A 52 -1.877 -5.117 -2.256 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -1.959 -6.327 -2.331 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -2.541 -4.361 -3.088 1.00 0.00 N ATOM 0 H GLN A 52 -2.077 -3.578 1.300 1.00 0.00 H new ATOM 0 HA GLN A 52 0.100 -5.398 1.928 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.210 -6.232 -0.281 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.814 -5.801 0.279 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.463 -3.519 -0.867 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.031 -4.209 -1.607 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.470 -3.346 -3.022 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.131 -4.786 -3.804 1.00 0.00 H new ATOM 1832 N THR A 53 2.036 -4.506 0.394 1.00 0.00 N ATOM 1833 CA THR A 53 3.269 -3.804 -0.058 1.00 0.00 C ATOM 1834 C THR A 53 3.841 -4.511 -1.285 1.00 0.00 C ATOM 1835 O THR A 53 3.538 -5.655 -1.557 1.00 0.00 O ATOM 1836 CB THR A 53 4.298 -3.827 1.071 1.00 0.00 C ATOM 1837 OG1 THR A 53 5.604 -3.707 0.529 1.00 0.00 O ATOM 1838 CG2 THR A 53 4.175 -5.133 1.843 1.00 0.00 C ATOM 0 H THR A 53 2.105 -5.524 0.405 1.00 0.00 H new ATOM 0 HA THR A 53 3.030 -2.773 -0.318 1.00 0.00 H new ATOM 0 HB THR A 53 4.115 -2.992 1.747 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.262 -3.720 1.255 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.909 -5.150 2.649 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.173 -5.214 2.264 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.355 -5.972 1.170 1.00 0.00 H new ATOM 1846 N ARG A 54 4.672 -3.828 -2.017 1.00 0.00 N ATOM 1847 CA ARG A 54 5.290 -4.429 -3.239 1.00 0.00 C ATOM 1848 C ARG A 54 6.701 -3.881 -3.431 1.00 0.00 C ATOM 1849 O ARG A 54 7.071 -2.871 -2.867 1.00 0.00 O ATOM 1850 CB ARG A 54 4.444 -4.098 -4.476 1.00 0.00 C ATOM 1851 CG ARG A 54 3.028 -4.674 -4.314 1.00 0.00 C ATOM 1852 CD ARG A 54 2.355 -4.828 -5.685 1.00 0.00 C ATOM 1853 NE ARG A 54 2.755 -6.135 -6.274 1.00 0.00 N ATOM 1854 CZ ARG A 54 2.066 -6.651 -7.250 1.00 0.00 C ATOM 1855 NH1 ARG A 54 1.021 -6.025 -7.719 1.00 0.00 N ATOM 1856 NH2 ARG A 54 2.422 -7.798 -7.756 1.00 0.00 N ATOM 0 H ARG A 54 4.956 -2.868 -1.822 1.00 0.00 H new ATOM 0 HA ARG A 54 5.334 -5.511 -3.112 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.393 -3.018 -4.613 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.913 -4.511 -5.369 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.077 -5.642 -3.815 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.431 -4.018 -3.680 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.271 -4.777 -5.581 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.650 -4.011 -6.344 1.00 0.00 H new ATOM 0 HE ARG A 54 3.571 -6.628 -5.912 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.742 -5.128 -7.320 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.483 -6.432 -8.484 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.237 -8.287 -7.387 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.885 -8.207 -8.521 1.00 0.00 H new ATOM 1870 N ASN A 55 7.492 -4.552 -4.220 1.00 0.00 N ATOM 1871 CA ASN A 55 8.886 -4.083 -4.450 1.00 0.00 C ATOM 1872 C ASN A 55 8.855 -2.665 -5.026 1.00 0.00 C ATOM 1873 O ASN A 55 8.017 -2.329 -5.841 1.00 0.00 O ATOM 1874 CB ASN A 55 9.594 -5.019 -5.432 1.00 0.00 C ATOM 1875 CG ASN A 55 11.093 -4.713 -5.420 1.00 0.00 C ATOM 1876 OD1 ASN A 55 11.553 -3.912 -4.631 1.00 0.00 O ATOM 1877 ND2 ASN A 55 11.881 -5.322 -6.260 1.00 0.00 N ATOM 0 H ASN A 55 7.233 -5.405 -4.716 1.00 0.00 H new ATOM 0 HA ASN A 55 9.427 -4.083 -3.504 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.420 -6.058 -5.153 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.191 -4.886 -6.436 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.882 -5.126 -6.254 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.497 -5.995 -6.923 1.00 0.00 H new ATOM 1884 N ARG A 56 9.757 -1.830 -4.596 1.00 0.00 N ATOM 1885 CA ARG A 56 9.788 -0.422 -5.098 1.00 0.00 C ATOM 1886 C ARG A 56 10.042 -0.424 -6.615 1.00 0.00 C ATOM 1887 O ARG A 56 10.989 -1.019 -7.088 1.00 0.00 O ATOM 1888 CB ARG A 56 10.928 0.353 -4.407 1.00 0.00 C ATOM 1889 CG ARG A 56 11.037 -0.027 -2.924 1.00 0.00 C ATOM 1890 CD ARG A 56 9.756 0.335 -2.171 1.00 0.00 C ATOM 1891 NE ARG A 56 9.949 -0.019 -0.736 1.00 0.00 N ATOM 1892 CZ ARG A 56 9.099 0.375 0.171 1.00 0.00 C ATOM 1893 NH1 ARG A 56 8.024 1.019 -0.178 1.00 0.00 N ATOM 1894 NH2 ARG A 56 9.320 0.106 1.428 1.00 0.00 N ATOM 0 H ARG A 56 10.480 -2.060 -3.914 1.00 0.00 H new ATOM 0 HA ARG A 56 8.832 0.054 -4.879 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.872 0.142 -4.910 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.751 1.425 -4.499 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.228 -1.096 -2.832 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.886 0.488 -2.474 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.540 1.398 -2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.905 -0.205 -2.586 1.00 0.00 H new ATOM 0 HE ARG A 56 10.757 -0.577 -0.460 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.845 1.217 -1.163 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.360 1.326 0.533 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.156 -0.411 1.699 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.657 0.413 2.140 1.00 0.00 H new ATOM 1908 N LYS A 57 9.211 0.238 -7.381 1.00 0.00 N ATOM 1909 CA LYS A 57 9.421 0.268 -8.863 1.00 0.00 C ATOM 1910 C LYS A 57 10.709 1.023 -9.195 1.00 0.00 C ATOM 1911 O LYS A 57 11.496 1.340 -8.325 1.00 0.00 O ATOM 1912 CB LYS A 57 8.251 0.959 -9.550 1.00 0.00 C ATOM 1913 CG LYS A 57 7.919 2.237 -8.806 1.00 0.00 C ATOM 1914 CD LYS A 57 6.815 2.967 -9.554 1.00 0.00 C ATOM 1915 CE LYS A 57 6.305 4.122 -8.691 1.00 0.00 C ATOM 1916 NZ LYS A 57 5.260 4.886 -9.430 1.00 0.00 N ATOM 0 H LYS A 57 8.399 0.757 -7.047 1.00 0.00 H new ATOM 0 HA LYS A 57 9.495 -0.759 -9.219 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.503 1.183 -10.587 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.384 0.299 -9.568 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.599 2.009 -7.789 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.804 2.869 -8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.191 3.345 -10.504 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.000 2.281 -9.784 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.894 3.736 -7.758 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.131 4.782 -8.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.918 5.669 -8.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.665 5.268 -10.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.466 4.255 -9.661 1.00 0.00 H new ATOM 1930 N VAL A 58 10.924 1.322 -10.452 1.00 0.00 N ATOM 1931 CA VAL A 58 12.154 2.066 -10.842 1.00 0.00 C ATOM 1932 C VAL A 58 12.304 3.273 -9.921 1.00 0.00 C ATOM 1933 O VAL A 58 11.328 3.852 -9.489 1.00 0.00 O ATOM 1934 CB VAL A 58 12.034 2.545 -12.297 1.00 0.00 C ATOM 1935 CG1 VAL A 58 10.740 3.347 -12.479 1.00 0.00 C ATOM 1936 CG2 VAL A 58 13.236 3.431 -12.650 1.00 0.00 C ATOM 0 H VAL A 58 10.300 1.082 -11.222 1.00 0.00 H new ATOM 0 HA VAL A 58 13.024 1.415 -10.754 1.00 0.00 H new ATOM 0 HB VAL A 58 12.015 1.677 -12.956 1.00 0.00 H new ATOM 0 HG11 VAL A 58 10.663 3.683 -13.513 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.884 2.717 -12.237 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.752 4.212 -11.816 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.148 3.769 -13.682 1.00 0.00 H new ATOM 0 HG22 VAL A 58 13.259 4.295 -11.986 1.00 0.00 H new ATOM 0 HG23 VAL A 58 14.156 2.859 -12.533 1.00 0.00 H new