USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 CYS SG : rot 150:sc= 0.259 USER MOD Set 1.2: A 10 CYS SG : rot -52:sc= 0.469 USER MOD Set 1.3: A 28 CYS SG : rot -123:sc= 0.94 USER MOD Set 1.4: A 31 CYS SG : rot 146:sc= -0.413 USER MOD Set 2.1: A 12 THR OG1 : rot -109:sc= 0.0697 USER MOD Set 2.2: A 14 THR OG1 : rot 2:sc= 0.908! USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 62:sc= 1.22 USER MOD Single : A 9 ASN : amide:sc= -1.95 X(o=-1.9,f=-1.9!) USER MOD Single : A 11 GLN : amide:sc=-0.00284 K(o=-0.0028,f=-1.1) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -133:sc= 0.955 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -7.81! C(o=-7.8!,f=-9.6!) 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+ -123:sc= -3.51! (180deg=-5.77!) USER MOD Single : A 38 HIS : no HD1:sc= -0.549 X(o=-0.55,f=-0.057) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 41 ASN : amide:sc= -1.4 K(o=-1.4,f=-8.3!) USER MOD Single : A 45 THR OG1 : rot 180:sc=0.000108 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 150:sc= -0.0834 (180deg=-0.748) USER MOD Single : A 52 GLN : amide:sc= -0.838 K(o=-0.84,f=-0.007) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 55 ASN : amide:sc= -0.0365 X(o=-0.037,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -6.638 10.541 14.364 1.00 0.00 N ATOM 1069 CA ALA A 3 -6.950 9.790 15.615 1.00 0.00 C ATOM 1070 C ALA A 3 -8.386 9.259 15.572 1.00 0.00 C ATOM 1071 O ALA A 3 -9.337 9.988 15.771 1.00 0.00 O ATOM 1072 CB ALA A 3 -6.779 10.716 16.818 1.00 0.00 C ATOM 0 HA ALA A 3 -6.267 8.945 15.703 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.006 10.169 17.733 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.751 11.076 16.857 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.457 11.564 16.724 1.00 0.00 H new ATOM 1078 N GLY A 4 -8.548 7.980 15.322 1.00 0.00 N ATOM 1079 CA GLY A 4 -9.918 7.380 15.276 1.00 0.00 C ATOM 1080 C GLY A 4 -10.462 7.408 13.842 1.00 0.00 C ATOM 1081 O GLY A 4 -11.593 7.039 13.595 1.00 0.00 O ATOM 0 H GLY A 4 -7.786 7.325 15.147 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.885 6.353 15.640 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.587 7.931 15.937 1.00 0.00 H new ATOM 1085 N THR A 5 -9.677 7.858 12.901 1.00 0.00 N ATOM 1086 CA THR A 5 -10.169 7.931 11.490 1.00 0.00 C ATOM 1087 C THR A 5 -10.484 6.549 10.919 1.00 0.00 C ATOM 1088 O THR A 5 -9.617 5.707 10.791 1.00 0.00 O ATOM 1089 CB THR A 5 -9.103 8.555 10.600 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.607 9.732 11.203 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.712 8.902 9.240 1.00 0.00 C ATOM 0 H THR A 5 -8.719 8.178 13.045 1.00 0.00 H new ATOM 0 HA THR A 5 -11.079 8.531 11.507 1.00 0.00 H new ATOM 0 HB THR A 5 -8.287 7.845 10.466 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.920 10.130 10.628 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.949 9.349 8.603 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.092 7.995 8.770 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.530 9.610 9.377 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.708 6.347 10.501 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.098 5.064 9.840 1.00 0.00 C ATOM 1101 C VAL A 6 -12.601 5.446 8.457 1.00 0.00 C ATOM 1102 O VAL A 6 -13.247 6.462 8.290 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.209 4.351 10.610 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.715 3.995 12.009 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.436 5.259 10.702 1.00 0.00 C ATOM 0 H VAL A 6 -12.464 7.026 10.591 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.250 4.380 9.801 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.484 3.436 10.086 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.509 3.487 12.557 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.848 3.338 11.933 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.435 4.906 12.538 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.226 4.748 11.252 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.169 6.179 11.222 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.788 5.498 9.698 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.304 4.678 7.459 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.757 5.047 6.096 1.00 0.00 C ATOM 1117 C CYS A 7 -14.270 5.192 6.040 1.00 0.00 C ATOM 1118 O CYS A 7 -15.010 4.263 6.296 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.324 3.970 5.120 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.662 4.518 3.439 1.00 0.00 S ATOM 0 H CYS A 7 -11.769 3.812 7.524 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.309 6.005 5.831 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.261 3.761 5.240 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.856 3.041 5.326 1.00 0.00 H new ATOM 0 HG CYS A 7 -11.800 3.983 2.626 1.00 0.00 H new ATOM 1125 N SER A 8 -14.737 6.358 5.698 1.00 0.00 N ATOM 1126 CA SER A 8 -16.200 6.575 5.611 1.00 0.00 C ATOM 1127 C SER A 8 -16.803 5.625 4.577 1.00 0.00 C ATOM 1128 O SER A 8 -17.885 5.103 4.762 1.00 0.00 O ATOM 1129 CB SER A 8 -16.476 8.016 5.180 1.00 0.00 C ATOM 1130 OG SER A 8 -15.952 8.908 6.153 1.00 0.00 O ATOM 0 H SER A 8 -14.164 7.172 5.475 1.00 0.00 H new ATOM 0 HA SER A 8 -16.647 6.386 6.587 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.020 8.211 4.209 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.548 8.174 5.066 1.00 0.00 H new ATOM 0 HG SER A 8 -14.981 8.791 6.214 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.133 5.414 3.466 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.714 4.524 2.425 1.00 0.00 C ATOM 1138 C ASN A 9 -16.511 3.043 2.782 1.00 0.00 C ATOM 1139 O ASN A 9 -17.378 2.235 2.512 1.00 0.00 O ATOM 1140 CB ASN A 9 -16.046 4.814 1.075 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.466 6.200 0.572 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.467 6.739 1.000 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -15.740 6.799 -0.337 1.00 0.00 N ATOM 0 H ASN A 9 -15.223 5.816 3.243 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.784 4.721 2.367 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.962 4.768 1.179 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.329 4.053 0.348 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -16.015 7.717 -0.685 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.899 6.348 -0.697 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.375 2.650 3.351 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.172 1.185 3.665 1.00 0.00 C ATOM 1152 C CYS A 10 -14.598 0.956 5.077 1.00 0.00 C ATOM 1153 O CYS A 10 -14.000 -0.070 5.334 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.241 0.548 2.609 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.496 0.858 2.995 1.00 0.00 S ATOM 0 H CYS A 10 -14.602 3.265 3.604 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.152 0.709 3.636 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.420 -0.526 2.564 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.475 0.952 1.624 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.311 2.132 3.174 1.00 0.00 H new ATOM 1160 N GLN A 11 -14.786 1.881 5.993 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.273 1.727 7.403 1.00 0.00 C ATOM 1162 C GLN A 11 -13.028 0.838 7.517 1.00 0.00 C ATOM 1163 O GLN A 11 -12.992 -0.085 8.307 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.372 1.175 8.319 1.00 0.00 C ATOM 1165 CG GLN A 11 -15.989 -0.074 7.706 1.00 0.00 C ATOM 1166 CD GLN A 11 -17.003 -0.671 8.685 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -17.491 0.012 9.563 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -17.344 -1.925 8.573 1.00 0.00 N ATOM 0 H GLN A 11 -15.283 2.755 5.822 1.00 0.00 H new ATOM 0 HA GLN A 11 -13.980 2.729 7.718 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -14.955 0.940 9.299 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -16.141 1.932 8.473 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -16.478 0.173 6.764 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -15.212 -0.804 7.480 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -16.936 -2.501 7.837 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -18.019 -2.330 9.222 1.00 0.00 H new ATOM 1177 N THR A 12 -11.964 1.197 6.847 1.00 0.00 N ATOM 1178 CA THR A 12 -10.672 0.480 7.035 1.00 0.00 C ATOM 1179 C THR A 12 -9.862 1.368 7.989 1.00 0.00 C ATOM 1180 O THR A 12 -9.925 2.577 7.868 1.00 0.00 O ATOM 1181 CB THR A 12 -9.953 0.259 5.686 1.00 0.00 C ATOM 1182 OG1 THR A 12 -8.747 -0.453 5.921 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.623 1.581 4.972 1.00 0.00 C ATOM 0 H THR A 12 -11.937 1.962 6.173 1.00 0.00 H new ATOM 0 HA THR A 12 -10.809 -0.520 7.447 1.00 0.00 H new ATOM 0 HB THR A 12 -10.626 -0.305 5.040 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.982 0.143 5.779 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.118 1.369 4.029 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.545 2.128 4.775 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.971 2.184 5.605 1.00 0.00 H new ATOM 1191 N SER A 13 -9.116 0.840 8.936 1.00 0.00 N ATOM 1192 CA SER A 13 -8.341 1.766 9.848 1.00 0.00 C ATOM 1193 C SER A 13 -6.897 1.811 9.355 1.00 0.00 C ATOM 1194 O SER A 13 -6.071 2.544 9.863 1.00 0.00 O ATOM 1195 CB SER A 13 -8.414 1.286 11.297 1.00 0.00 C ATOM 1196 OG SER A 13 -7.585 0.140 11.453 1.00 0.00 O ATOM 0 H SER A 13 -9.008 -0.158 9.118 1.00 0.00 H new ATOM 0 HA SER A 13 -8.772 2.767 9.823 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.090 2.078 11.972 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.443 1.044 11.561 1.00 0.00 H new ATOM 0 HG SER A 13 -7.627 -0.170 12.382 1.00 0.00 H new ATOM 1202 N THR A 14 -6.605 1.041 8.337 1.00 0.00 N ATOM 1203 CA THR A 14 -5.235 1.025 7.745 1.00 0.00 C ATOM 1204 C THR A 14 -5.319 1.675 6.367 1.00 0.00 C ATOM 1205 O THR A 14 -6.022 1.202 5.496 1.00 0.00 O ATOM 1206 CB THR A 14 -4.762 -0.421 7.576 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.514 -1.046 6.545 1.00 0.00 O ATOM 1208 CG2 THR A 14 -4.950 -1.188 8.884 1.00 0.00 C ATOM 0 H THR A 14 -7.270 0.413 7.885 1.00 0.00 H new ATOM 0 HA THR A 14 -4.538 1.558 8.392 1.00 0.00 H new ATOM 0 HB THR A 14 -3.705 -0.424 7.311 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.139 -0.398 6.157 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.611 -2.216 8.755 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.369 -0.710 9.673 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.005 -1.186 9.159 1.00 0.00 H new ATOM 1216 N THR A 15 -4.612 2.749 6.153 1.00 0.00 N ATOM 1217 CA THR A 15 -4.664 3.418 4.814 1.00 0.00 C ATOM 1218 C THR A 15 -3.297 3.980 4.474 1.00 0.00 C ATOM 1219 O THR A 15 -2.549 4.392 5.339 1.00 0.00 O ATOM 1220 CB THR A 15 -5.654 4.584 4.844 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.028 5.717 5.429 1.00 0.00 O ATOM 1222 CG2 THR A 15 -6.869 4.204 5.671 1.00 0.00 C ATOM 0 H THR A 15 -4.003 3.194 6.840 1.00 0.00 H new ATOM 0 HA THR A 15 -4.974 2.681 4.073 1.00 0.00 H new ATOM 0 HB THR A 15 -5.966 4.817 3.826 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.628 6.116 6.093 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.571 5.037 5.690 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.352 3.332 5.229 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.557 3.969 6.689 1.00 0.00 H new ATOM 1230 N THR A 16 -2.967 4.017 3.219 1.00 0.00 N ATOM 1231 CA THR A 16 -1.656 4.574 2.831 1.00 0.00 C ATOM 1232 C THR A 16 -1.755 6.106 2.913 1.00 0.00 C ATOM 1233 O THR A 16 -0.862 6.771 3.398 1.00 0.00 O ATOM 1234 CB THR A 16 -1.294 4.148 1.404 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.967 4.985 0.477 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.696 2.692 1.143 1.00 0.00 C ATOM 0 H THR A 16 -3.549 3.686 2.449 1.00 0.00 H new ATOM 0 HA THR A 16 -0.878 4.203 3.499 1.00 0.00 H new ATOM 0 HB THR A 16 -0.214 4.239 1.285 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.735 4.715 -0.436 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.427 2.418 0.123 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.175 2.040 1.844 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.772 2.582 1.276 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.859 6.666 2.463 1.00 0.00 N ATOM 1245 CA LEU A 17 -3.046 8.155 2.538 1.00 0.00 C ATOM 1246 C LEU A 17 -4.528 8.453 2.800 1.00 0.00 C ATOM 1247 O LEU A 17 -5.401 7.929 2.136 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.596 8.827 1.219 1.00 0.00 C ATOM 1249 CG LEU A 17 -2.034 10.236 1.488 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.763 10.154 2.375 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.710 10.915 0.136 1.00 0.00 C ATOM 0 H LEU A 17 -3.638 6.155 2.047 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.437 8.556 3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.836 8.214 0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.440 8.892 0.532 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.777 10.828 2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.379 11.158 2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.013 9.685 3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.003 9.561 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.311 11.913 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.971 10.321 -0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.619 10.990 -0.461 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.823 9.297 3.752 1.00 0.00 N ATOM 1264 CA TRP A 18 -6.243 9.636 4.044 1.00 0.00 C ATOM 1265 C TRP A 18 -6.714 10.704 3.045 1.00 0.00 C ATOM 1266 O TRP A 18 -6.061 11.712 2.864 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.312 10.208 5.470 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.207 9.089 6.465 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.142 8.855 7.269 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.183 8.049 6.771 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.403 7.735 8.042 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.646 7.205 7.774 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.466 7.758 6.282 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.360 6.112 8.272 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.184 6.660 6.781 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.634 5.839 7.772 1.00 0.00 C ATOM 0 H TRP A 18 -4.137 9.768 4.342 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.877 8.753 3.959 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.505 10.924 5.625 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.248 10.748 5.612 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.238 9.445 7.302 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -4.753 7.349 8.727 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.903 8.383 5.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -6.929 5.484 9.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.170 6.447 6.396 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.194 4.996 8.149 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.840 10.498 2.398 1.00 0.00 N ATOM 1288 CA ARG A 19 -8.350 11.514 1.412 1.00 0.00 C ATOM 1289 C ARG A 19 -9.626 12.141 1.969 1.00 0.00 C ATOM 1290 O ARG A 19 -10.609 11.464 2.158 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.699 10.830 0.072 1.00 0.00 C ATOM 1292 CG ARG A 19 -7.646 9.787 -0.280 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.293 10.462 -0.471 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.426 9.568 -1.289 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.308 10.011 -1.792 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.926 11.235 -1.564 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.573 9.228 -2.524 1.00 0.00 N ATOM 0 H ARG A 19 -8.428 9.672 2.509 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.580 12.268 1.250 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.679 10.358 0.141 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.760 11.576 -0.720 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.582 9.041 0.512 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.932 9.261 -1.191 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.417 11.425 -0.966 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.829 10.658 0.495 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.709 8.603 -1.457 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.502 11.851 -0.990 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.051 11.578 -1.959 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.871 8.269 -2.704 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.698 9.572 -2.919 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.653 13.412 2.233 1.00 0.00 N ATOM 1312 CA ARG A 20 -10.916 13.998 2.762 1.00 0.00 C ATOM 1313 C ARG A 20 -11.812 14.380 1.579 1.00 0.00 C ATOM 1314 O ARG A 20 -11.780 15.499 1.106 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.601 15.248 3.593 1.00 0.00 C ATOM 1316 CG ARG A 20 -11.820 15.603 4.466 1.00 0.00 C ATOM 1317 CD ARG A 20 -11.800 14.798 5.779 1.00 0.00 C ATOM 1318 NE ARG A 20 -11.062 15.565 6.819 1.00 0.00 N ATOM 1319 CZ ARG A 20 -11.190 15.243 8.077 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -11.992 14.272 8.425 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -10.523 15.897 8.987 1.00 0.00 N ATOM 0 H ARG A 20 -8.876 14.061 2.110 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.424 13.271 3.396 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.729 15.070 4.222 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.355 16.082 2.936 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.817 16.670 4.687 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.739 15.394 3.919 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.819 14.600 6.112 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.323 13.831 5.618 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.457 16.341 6.549 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.518 13.765 7.713 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.092 14.021 9.408 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.902 16.659 8.715 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.622 15.646 9.971 1.00 0.00 H new ATOM 1335 N SER A 21 -12.574 13.436 1.074 1.00 0.00 N ATOM 1336 CA SER A 21 -13.461 13.682 -0.108 1.00 0.00 C ATOM 1337 C SER A 21 -14.020 15.127 -0.121 1.00 0.00 C ATOM 1338 O SER A 21 -14.082 15.783 0.901 1.00 0.00 O ATOM 1339 CB SER A 21 -14.606 12.657 -0.065 1.00 0.00 C ATOM 1340 OG SER A 21 -14.309 11.598 -0.966 1.00 0.00 O ATOM 0 H SER A 21 -12.618 12.485 1.441 1.00 0.00 H new ATOM 0 HA SER A 21 -12.880 13.567 -1.023 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.727 12.269 0.946 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.548 13.132 -0.339 1.00 0.00 H new ATOM 0 HG SER A 21 -15.033 10.938 -0.945 1.00 0.00 H new ATOM 1346 N PRO A 22 -14.417 15.618 -1.284 1.00 0.00 N ATOM 1347 CA PRO A 22 -14.954 17.009 -1.406 1.00 0.00 C ATOM 1348 C PRO A 22 -16.151 17.269 -0.481 1.00 0.00 C ATOM 1349 O PRO A 22 -16.619 18.382 -0.347 1.00 0.00 O ATOM 1350 CB PRO A 22 -15.392 17.065 -2.892 1.00 0.00 C ATOM 1351 CG PRO A 22 -15.220 15.663 -3.503 1.00 0.00 C ATOM 1352 CD PRO A 22 -14.362 14.829 -2.548 1.00 0.00 C ATOM 0 HA PRO A 22 -14.221 17.764 -1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -16.430 17.387 -2.969 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -14.791 17.793 -3.437 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.191 15.191 -3.652 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.744 15.730 -4.482 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -14.763 13.824 -2.416 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.341 14.719 -2.913 1.00 0.00 H new ATOM 1360 N MET A 23 -16.658 16.239 0.143 1.00 0.00 N ATOM 1361 CA MET A 23 -17.832 16.406 1.045 1.00 0.00 C ATOM 1362 C MET A 23 -17.348 16.659 2.467 1.00 0.00 C ATOM 1363 O MET A 23 -18.044 17.240 3.275 1.00 0.00 O ATOM 1364 CB MET A 23 -18.678 15.130 1.017 1.00 0.00 C ATOM 1365 CG MET A 23 -19.920 15.325 1.888 1.00 0.00 C ATOM 1366 SD MET A 23 -20.941 13.837 1.846 1.00 0.00 S ATOM 1367 CE MET A 23 -22.159 14.407 3.053 1.00 0.00 C ATOM 0 H MET A 23 -16.307 15.285 0.065 1.00 0.00 H new ATOM 0 HA MET A 23 -18.432 17.252 0.709 1.00 0.00 H new ATOM 0 HB2 MET A 23 -18.971 14.897 -0.007 1.00 0.00 H new ATOM 0 HB3 MET A 23 -18.094 14.285 1.381 1.00 0.00 H new ATOM 0 HG2 MET A 23 -19.624 15.545 2.914 1.00 0.00 H new ATOM 0 HG3 MET A 23 -20.494 16.180 1.532 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.915 13.636 3.199 1.00 0.00 H new ATOM 0 HE2 MET A 23 -21.663 14.613 4.001 1.00 0.00 H new ATOM 0 HE3 MET A 23 -22.635 15.317 2.688 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.158 16.217 2.780 1.00 0.00 N ATOM 1378 CA GLY A 24 -15.615 16.415 4.156 1.00 0.00 C ATOM 1379 C GLY A 24 -15.707 15.100 4.940 1.00 0.00 C ATOM 1380 O GLY A 24 -15.613 15.091 6.150 1.00 0.00 O ATOM 0 H GLY A 24 -15.536 15.725 2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.578 16.747 4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.175 17.196 4.670 1.00 0.00 H new ATOM 1384 N ASP A 25 -15.886 13.982 4.270 1.00 0.00 N ATOM 1385 CA ASP A 25 -15.980 12.670 4.984 1.00 0.00 C ATOM 1386 C ASP A 25 -14.635 11.912 4.838 1.00 0.00 C ATOM 1387 O ASP A 25 -14.142 11.774 3.737 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.078 11.839 4.316 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.397 12.614 4.349 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.359 13.796 4.649 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.422 12.013 4.074 1.00 0.00 O ATOM 0 H ASP A 25 -15.971 13.925 3.255 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.203 12.832 6.039 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.802 11.614 3.286 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.191 10.885 4.832 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.029 11.418 5.909 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.729 10.681 5.778 1.00 0.00 C ATOM 1398 C PRO A 26 -12.845 9.357 4.986 1.00 0.00 C ATOM 1399 O PRO A 26 -13.739 8.564 5.204 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.346 10.410 7.252 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.547 10.779 8.143 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.566 11.555 7.296 1.00 0.00 C ATOM 0 HA PRO A 26 -11.991 11.255 5.217 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.081 9.362 7.388 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.472 10.999 7.531 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.004 9.879 8.554 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.219 11.384 8.988 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.567 11.133 7.384 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.632 12.599 7.601 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.912 9.108 4.097 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.921 7.823 3.313 1.00 0.00 C ATOM 1412 C VAL A 27 -10.479 7.339 3.117 1.00 0.00 C ATOM 1413 O VAL A 27 -9.542 8.104 3.243 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.582 8.023 1.952 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -14.095 8.145 2.132 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -12.019 9.286 1.313 1.00 0.00 C ATOM 0 H VAL A 27 -11.141 9.739 3.878 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.492 7.079 3.868 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.377 7.170 1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.567 8.288 1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.481 7.236 2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.318 8.999 2.772 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.484 9.440 0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.228 10.142 1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.941 9.181 1.188 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.284 6.080 2.804 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.901 5.562 2.594 1.00 0.00 C ATOM 1428 C CYS A 28 -8.441 5.855 1.156 1.00 0.00 C ATOM 1429 O CYS A 28 -9.240 6.059 0.265 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.855 4.054 2.905 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.675 3.069 1.616 1.00 0.00 S ATOM 0 H CYS A 28 -11.026 5.390 2.685 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.215 6.068 3.273 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.817 3.735 3.000 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.336 3.867 3.865 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.614 2.347 2.153 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.151 5.918 0.945 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.604 6.246 -0.412 1.00 0.00 C ATOM 1438 C ASN A 29 -7.247 5.387 -1.499 1.00 0.00 C ATOM 1439 O ASN A 29 -7.458 5.840 -2.607 1.00 0.00 O ATOM 1440 CB ASN A 29 -5.099 5.969 -0.417 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.500 6.411 -1.752 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -5.170 6.400 -2.764 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -3.251 6.784 -1.802 1.00 0.00 N ATOM 0 H ASN A 29 -6.444 5.755 1.661 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.819 7.294 -0.619 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.618 6.502 0.403 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.914 4.907 -0.258 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.838 7.066 -2.691 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.687 6.794 -0.952 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.552 4.163 -1.220 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.163 3.320 -2.279 1.00 0.00 C ATOM 1452 C ALA A 30 -9.582 3.816 -2.600 1.00 0.00 C ATOM 1453 O ALA A 30 -9.935 3.994 -3.748 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.195 1.879 -1.809 1.00 0.00 C ATOM 0 H ALA A 30 -7.409 3.709 -0.318 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.567 3.387 -3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.643 1.254 -2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.179 1.538 -1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.787 1.807 -0.896 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.401 4.032 -1.603 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.794 4.508 -1.882 1.00 0.00 C ATOM 1462 C CYS A 31 -11.749 5.860 -2.580 1.00 0.00 C ATOM 1463 O CYS A 31 -12.470 6.106 -3.509 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.576 4.677 -0.579 1.00 0.00 C ATOM 1465 SG CYS A 31 -13.046 3.065 0.067 1.00 0.00 S ATOM 0 H CYS A 31 -10.172 3.902 -0.618 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.282 3.766 -2.514 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.969 5.209 0.153 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.466 5.282 -0.755 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.025 3.095 1.366 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.926 6.745 -2.125 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.881 8.085 -2.761 1.00 0.00 C ATOM 1472 C GLY A 32 -10.694 7.951 -4.275 1.00 0.00 C ATOM 1473 O GLY A 32 -11.421 8.538 -5.052 1.00 0.00 O ATOM 0 H GLY A 32 -10.284 6.605 -1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.803 8.627 -2.548 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.064 8.668 -2.337 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.717 7.201 -4.701 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.473 7.047 -6.166 1.00 0.00 C ATOM 1479 C LEU A 33 -10.597 6.238 -6.821 1.00 0.00 C ATOM 1480 O LEU A 33 -11.154 6.634 -7.821 1.00 0.00 O ATOM 1481 CB LEU A 33 -8.152 6.307 -6.366 1.00 0.00 C ATOM 1482 CG LEU A 33 -7.006 7.098 -5.721 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.742 6.229 -5.699 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.738 8.394 -6.512 1.00 0.00 C ATOM 0 H LEU A 33 -9.075 6.686 -4.099 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.438 8.035 -6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.212 5.312 -5.924 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.958 6.172 -7.430 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.284 7.366 -4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.925 6.787 -5.242 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.932 5.325 -5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.470 5.957 -6.719 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.923 8.945 -6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.465 8.145 -7.537 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.637 9.010 -6.516 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.940 5.108 -6.278 1.00 0.00 N ATOM 1497 CA TYR A 34 -12.024 4.297 -6.899 1.00 0.00 C ATOM 1498 C TYR A 34 -13.317 5.106 -6.929 1.00 0.00 C ATOM 1499 O TYR A 34 -14.066 5.072 -7.885 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.241 3.025 -6.081 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.340 2.202 -6.709 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -13.071 1.395 -7.821 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -14.630 2.244 -6.172 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -14.097 0.633 -8.394 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -15.652 1.483 -6.743 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.387 0.678 -7.854 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.398 -0.071 -8.419 1.00 0.00 O ATOM 0 H TYR A 34 -10.522 4.711 -5.437 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.738 4.033 -7.917 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.318 2.446 -6.038 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.505 3.281 -5.055 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -12.075 1.360 -8.236 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -14.837 2.866 -5.314 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.892 0.011 -9.253 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -16.648 1.517 -6.326 1.00 0.00 H new ATOM 0 HH TYR A 34 -17.230 0.075 -7.922 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.586 5.827 -5.881 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.828 6.641 -5.822 1.00 0.00 C ATOM 1519 C TYR A 35 -14.752 7.781 -6.840 1.00 0.00 C ATOM 1520 O TYR A 35 -15.650 8.009 -7.603 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.974 7.231 -4.415 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.401 7.656 -4.194 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.801 8.948 -4.532 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.319 6.753 -3.650 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.125 9.346 -4.326 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.645 7.144 -3.443 1.00 0.00 C ATOM 1527 CZ TYR A 35 -19.051 8.442 -3.780 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.357 8.835 -3.572 1.00 0.00 O ATOM 0 H TYR A 35 -12.992 5.888 -5.054 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.686 6.009 -6.053 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.683 6.493 -3.668 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.307 8.085 -4.296 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.088 9.641 -4.953 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -17.004 5.753 -3.390 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.436 10.347 -4.586 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.355 6.447 -3.024 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.866 8.090 -3.189 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.690 8.512 -6.851 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.587 9.638 -7.817 1.00 0.00 C ATOM 1540 C LYS A 36 -13.686 9.107 -9.246 1.00 0.00 C ATOM 1541 O LYS A 36 -14.312 9.702 -10.100 1.00 0.00 O ATOM 1542 CB LYS A 36 -12.230 10.310 -7.616 1.00 0.00 C ATOM 1543 CG LYS A 36 -12.050 11.449 -8.615 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.756 12.200 -8.289 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.547 11.249 -8.379 1.00 0.00 C ATOM 1546 NZ LYS A 36 -9.278 10.678 -7.030 1.00 0.00 N ATOM 0 H LYS A 36 -12.885 8.386 -6.237 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.395 10.350 -7.652 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.154 10.694 -6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.432 9.578 -7.741 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.011 11.056 -9.631 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.901 12.128 -8.569 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.626 13.031 -8.982 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.818 12.627 -7.288 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.749 10.450 -9.093 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.671 11.787 -8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.300 10.894 -6.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.935 11.094 -6.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.411 9.647 -7.057 1.00 0.00 H new ATOM 1560 N LEU A 37 -13.063 8.003 -9.512 1.00 0.00 N ATOM 1561 CA LEU A 37 -13.102 7.434 -10.884 1.00 0.00 C ATOM 1562 C LEU A 37 -14.497 6.880 -11.226 1.00 0.00 C ATOM 1563 O LEU A 37 -14.946 7.017 -12.346 1.00 0.00 O ATOM 1564 CB LEU A 37 -12.036 6.324 -10.987 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.693 6.903 -11.477 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.263 8.106 -10.622 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.623 5.817 -11.382 1.00 0.00 C ATOM 0 H LEU A 37 -12.523 7.463 -8.835 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.888 8.224 -11.604 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.901 5.851 -10.014 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.376 5.549 -11.674 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.814 7.237 -12.507 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.313 8.493 -10.991 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.022 8.886 -10.684 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.149 7.793 -9.584 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.669 6.215 -11.726 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.528 5.490 -10.347 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.908 4.970 -12.005 1.00 0.00 H new ATOM 1579 N HIS A 38 -15.170 6.227 -10.303 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.518 5.638 -10.627 1.00 0.00 C ATOM 1581 C HIS A 38 -17.622 6.213 -9.740 1.00 0.00 C ATOM 1582 O HIS A 38 -18.782 5.929 -9.946 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.438 4.128 -10.430 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.334 3.600 -11.294 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.557 3.133 -12.578 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -13.984 3.497 -11.082 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.365 2.776 -13.089 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.373 2.978 -12.219 1.00 0.00 N ATOM 0 H HIS A 38 -14.849 6.076 -9.347 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.769 5.887 -11.658 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -16.248 3.891 -9.383 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.386 3.659 -10.696 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.473 3.776 -10.172 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.227 2.375 -14.082 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -12.380 2.792 -12.358 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.294 7.035 -8.782 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.330 7.648 -7.900 1.00 0.00 C ATOM 1598 C GLN A 39 -19.435 6.642 -7.541 1.00 0.00 C ATOM 1599 O GLN A 39 -20.611 6.877 -7.727 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.859 8.920 -8.572 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.796 9.678 -7.627 1.00 0.00 C ATOM 1602 CD GLN A 39 -20.094 11.058 -8.214 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -20.457 11.177 -9.368 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -19.943 12.115 -7.465 1.00 0.00 N ATOM 0 H GLN A 39 -16.336 7.313 -8.569 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.886 7.930 -6.945 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -18.025 9.561 -8.857 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -19.389 8.660 -9.488 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -20.722 9.120 -7.490 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -19.336 9.779 -6.644 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -19.638 12.015 -6.497 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -20.130 13.042 -7.848 1.00 0.00 H new ATOM 1613 N VAL A 40 -19.038 5.527 -6.985 1.00 0.00 N ATOM 1614 CA VAL A 40 -20.004 4.490 -6.543 1.00 0.00 C ATOM 1615 C VAL A 40 -19.399 3.786 -5.327 1.00 0.00 C ATOM 1616 O VAL A 40 -18.195 3.699 -5.186 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.258 3.466 -7.649 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.201 4.054 -8.700 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -18.937 3.073 -8.301 1.00 0.00 C ATOM 0 H VAL A 40 -18.060 5.291 -6.817 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.958 4.958 -6.298 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.721 2.580 -7.214 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.376 3.318 -9.484 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.149 4.318 -8.231 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.750 4.946 -9.135 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.123 2.343 -9.089 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.466 3.957 -8.730 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.277 2.637 -7.551 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.215 3.292 -4.448 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.680 2.601 -3.234 1.00 0.00 C ATOM 1631 C ASN A 41 -19.398 1.130 -3.564 1.00 0.00 C ATOM 1632 O ASN A 41 -20.233 0.438 -4.109 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.713 2.687 -2.113 1.00 0.00 C ATOM 1634 CG ASN A 41 -22.042 2.118 -2.611 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.185 1.816 -3.779 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -23.027 1.962 -1.772 1.00 0.00 N ATOM 0 H ASN A 41 -21.232 3.333 -4.511 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.755 3.081 -2.916 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.369 2.130 -1.241 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.842 3.723 -1.799 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.918 1.586 -2.096 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.907 2.216 -0.791 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.217 0.651 -3.251 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.857 -0.772 -3.558 1.00 0.00 C ATOM 1645 C ARG A 42 -17.957 -1.636 -2.279 1.00 0.00 C ATOM 1646 O ARG A 42 -17.765 -1.138 -1.187 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.412 -0.807 -4.070 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.565 0.165 -3.242 1.00 0.00 C ATOM 1649 CD ARG A 42 -14.084 -0.177 -3.390 1.00 0.00 C ATOM 1650 NE ARG A 42 -13.276 0.841 -2.667 1.00 0.00 N ATOM 1651 CZ ARG A 42 -12.040 0.585 -2.347 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -11.521 -0.578 -2.623 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -11.328 1.490 -1.738 1.00 0.00 N ATOM 0 H ARG A 42 -17.481 1.189 -2.793 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.542 -1.167 -4.308 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.010 -1.817 -3.992 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.379 -0.531 -5.124 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.745 1.188 -3.571 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.856 0.111 -2.193 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.885 -1.170 -2.988 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.806 -0.199 -4.444 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.690 1.740 -2.422 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.083 -1.289 -3.090 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.553 -0.777 -2.372 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.739 2.396 -1.513 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.360 1.293 -1.486 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.242 -2.923 -2.399 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.337 -3.812 -1.197 1.00 0.00 C ATOM 1669 C PRO A 43 -16.992 -3.934 -0.450 1.00 0.00 C ATOM 1670 O PRO A 43 -15.933 -3.861 -1.042 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.762 -5.161 -1.816 1.00 0.00 C ATOM 1672 CG PRO A 43 -18.570 -5.067 -3.341 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.487 -3.580 -3.718 1.00 0.00 C ATOM 0 HA PRO A 43 -19.028 -3.435 -0.443 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -18.163 -5.974 -1.406 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -19.803 -5.379 -1.576 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -17.662 -5.588 -3.644 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -19.400 -5.546 -3.860 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -17.680 -3.385 -4.424 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.408 -3.227 -4.182 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.035 -4.120 0.846 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.773 -4.247 1.642 1.00 0.00 C ATOM 1683 C LEU A 44 -14.978 -5.479 1.191 1.00 0.00 C ATOM 1684 O LEU A 44 -13.998 -5.848 1.804 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.121 -4.359 3.138 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.360 -2.958 3.716 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.621 -2.350 3.096 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.537 -3.048 5.233 1.00 0.00 C ATOM 0 H LEU A 44 -17.895 -4.190 1.391 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.157 -3.362 1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.011 -4.975 3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.310 -4.852 3.675 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.501 -2.328 3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.786 -1.355 3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.497 -2.278 2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.479 -2.984 3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.706 -2.051 5.639 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.392 -3.684 5.462 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.638 -3.474 5.680 1.00 0.00 H new ATOM 1700 N THR A 45 -15.376 -6.108 0.120 1.00 0.00 N ATOM 1701 CA THR A 45 -14.618 -7.295 -0.363 1.00 0.00 C ATOM 1702 C THR A 45 -13.191 -6.865 -0.701 1.00 0.00 C ATOM 1703 O THR A 45 -12.304 -7.682 -0.845 1.00 0.00 O ATOM 1704 CB THR A 45 -15.283 -7.861 -1.622 1.00 0.00 C ATOM 1705 OG1 THR A 45 -15.606 -6.794 -2.502 1.00 0.00 O ATOM 1706 CG2 THR A 45 -16.554 -8.622 -1.244 1.00 0.00 C ATOM 0 H THR A 45 -16.190 -5.853 -0.439 1.00 0.00 H new ATOM 0 HA THR A 45 -14.608 -8.061 0.413 1.00 0.00 H new ATOM 0 HB THR A 45 -14.595 -8.547 -2.117 1.00 0.00 H new ATOM 0 HG1 THR A 45 -16.030 -7.153 -3.309 1.00 0.00 H new ATOM 0 HG21 THR A 45 -17.021 -9.021 -2.145 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.301 -9.442 -0.572 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.248 -7.946 -0.745 1.00 0.00 H new ATOM 1714 N MET A 46 -12.960 -5.580 -0.828 1.00 0.00 N ATOM 1715 CA MET A 46 -11.584 -5.093 -1.156 1.00 0.00 C ATOM 1716 C MET A 46 -10.879 -4.701 0.139 1.00 0.00 C ATOM 1717 O MET A 46 -9.698 -4.421 0.163 1.00 0.00 O ATOM 1718 CB MET A 46 -11.668 -3.873 -2.088 1.00 0.00 C ATOM 1719 CG MET A 46 -10.322 -3.676 -2.806 1.00 0.00 C ATOM 1720 SD MET A 46 -10.295 -4.686 -4.313 1.00 0.00 S ATOM 1721 CE MET A 46 -9.990 -3.363 -5.513 1.00 0.00 C ATOM 0 H MET A 46 -13.664 -4.850 -0.719 1.00 0.00 H new ATOM 0 HA MET A 46 -11.026 -5.883 -1.659 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.464 -4.016 -2.819 1.00 0.00 H new ATOM 0 HB3 MET A 46 -11.919 -2.981 -1.514 1.00 0.00 H new ATOM 0 HG2 MET A 46 -10.180 -2.625 -3.056 1.00 0.00 H new ATOM 0 HG3 MET A 46 -9.501 -3.961 -2.148 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.939 -3.786 -6.516 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.801 -2.636 -5.467 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.047 -2.870 -5.279 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.605 -4.682 1.218 1.00 0.00 N ATOM 1732 CA ARG A 47 -10.999 -4.314 2.523 1.00 0.00 C ATOM 1733 C ARG A 47 -10.198 -5.501 3.064 1.00 0.00 C ATOM 1734 O ARG A 47 -10.713 -6.592 3.213 1.00 0.00 O ATOM 1735 CB ARG A 47 -12.123 -3.947 3.491 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.556 -3.562 4.854 1.00 0.00 C ATOM 1737 CD ARG A 47 -12.723 -3.199 5.764 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.211 -2.732 7.097 1.00 0.00 N ATOM 1739 CZ ARG A 47 -11.512 -3.507 7.883 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -11.315 -4.761 7.581 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -11.033 -3.028 8.999 1.00 0.00 N ATOM 0 H ARG A 47 -12.599 -4.907 1.252 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.326 -3.465 2.406 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.703 -3.118 3.085 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.805 -4.790 3.600 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.986 -4.389 5.277 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.871 -2.719 4.758 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.325 -2.416 5.302 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.373 -4.064 5.898 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.416 -1.779 7.398 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.709 -5.147 6.723 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.767 -5.355 8.203 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.205 -2.055 9.252 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.486 -3.627 9.618 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.939 -5.286 3.364 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.074 -6.385 3.905 1.00 0.00 C ATOM 1757 C LYS A 48 -7.518 -5.947 5.262 1.00 0.00 C ATOM 1758 O LYS A 48 -7.130 -4.810 5.447 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.919 -6.654 2.933 1.00 0.00 C ATOM 1760 CG LYS A 48 -6.177 -7.926 3.362 1.00 0.00 C ATOM 1761 CD LYS A 48 -5.019 -8.227 2.388 1.00 0.00 C ATOM 1762 CE LYS A 48 -3.755 -7.482 2.828 1.00 0.00 C ATOM 1763 NZ LYS A 48 -3.270 -8.055 4.116 1.00 0.00 N ATOM 0 H LYS A 48 -8.469 -4.387 3.256 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.658 -7.298 4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.302 -6.768 1.919 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.234 -5.806 2.922 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.788 -7.804 4.373 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.869 -8.768 3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.827 -9.300 2.359 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.295 -7.925 1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.983 -7.569 2.064 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.968 -6.419 2.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.236 -7.959 4.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.708 -7.545 4.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.527 -9.061 4.167 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.515 -6.829 6.224 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.029 -6.472 7.590 1.00 0.00 C ATOM 1779 C ASP A 49 -5.635 -5.821 7.550 1.00 0.00 C ATOM 1780 O ASP A 49 -5.075 -5.495 8.578 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.969 -7.741 8.451 1.00 0.00 C ATOM 1782 CG ASP A 49 -8.388 -8.168 8.840 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -9.026 -8.836 8.041 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -8.810 -7.825 9.931 1.00 0.00 O ATOM 0 H ASP A 49 -7.832 -7.793 6.122 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.725 -5.750 8.017 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.476 -8.542 7.901 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.376 -7.557 9.347 1.00 0.00 H new ATOM 1789 N GLY A 50 -5.065 -5.620 6.389 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.713 -4.985 6.326 1.00 0.00 C ATOM 1791 C GLY A 50 -3.527 -4.258 4.991 1.00 0.00 C ATOM 1792 O GLY A 50 -4.337 -4.368 4.092 1.00 0.00 O ATOM 0 H GLY A 50 -5.474 -5.866 5.487 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.596 -4.281 7.150 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.941 -5.745 6.444 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.444 -3.537 4.850 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.169 -2.823 3.573 1.00 0.00 C ATOM 1798 C ILE A 51 -1.359 -3.755 2.664 1.00 0.00 C ATOM 1799 O ILE A 51 -0.475 -4.460 3.109 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.374 -1.549 3.877 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.154 -0.729 4.923 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.185 -0.732 2.588 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.671 0.721 4.938 1.00 0.00 C ATOM 0 H ILE A 51 -1.735 -3.413 5.572 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.098 -2.547 3.074 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.389 -1.802 4.268 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.220 -0.761 4.697 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.024 -1.172 5.911 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.619 0.173 2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.642 -1.329 1.855 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.160 -0.460 2.183 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.233 1.284 5.683 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.610 0.749 5.187 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.824 1.166 3.955 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.656 -3.766 1.395 1.00 0.00 N ATOM 1816 CA GLN A 52 -0.907 -4.655 0.458 1.00 0.00 C ATOM 1817 C GLN A 52 0.434 -3.991 0.097 1.00 0.00 C ATOM 1818 O GLN A 52 0.540 -2.784 0.064 1.00 0.00 O ATOM 1819 CB GLN A 52 -1.753 -4.870 -0.807 1.00 0.00 C ATOM 1820 CG GLN A 52 -2.990 -5.701 -0.463 1.00 0.00 C ATOM 1821 CD GLN A 52 -3.886 -5.825 -1.700 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.478 -6.859 -1.933 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -4.019 -4.802 -2.503 1.00 0.00 N ATOM 0 H GLN A 52 -2.385 -3.198 0.964 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.710 -5.620 0.926 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.053 -3.908 -1.224 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.162 -5.378 -1.570 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.691 -6.691 -0.117 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.541 -5.232 0.352 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.522 -3.933 -2.308 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.620 -4.873 -3.324 1.00 0.00 H new ATOM 1832 N THR A 53 1.467 -4.763 -0.154 1.00 0.00 N ATOM 1833 CA THR A 53 2.800 -4.151 -0.498 1.00 0.00 C ATOM 1834 C THR A 53 3.469 -4.929 -1.635 1.00 0.00 C ATOM 1835 O THR A 53 3.118 -6.051 -1.937 1.00 0.00 O ATOM 1836 CB THR A 53 3.717 -4.151 0.732 1.00 0.00 C ATOM 1837 OG1 THR A 53 5.071 -4.158 0.306 1.00 0.00 O ATOM 1838 CG2 THR A 53 3.446 -5.381 1.588 1.00 0.00 C ATOM 0 H THR A 53 1.449 -5.783 -0.137 1.00 0.00 H new ATOM 0 HA THR A 53 2.632 -3.124 -0.821 1.00 0.00 H new ATOM 0 HB THR A 53 3.521 -3.258 1.325 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.660 -4.156 1.089 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.102 -5.371 2.458 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.407 -5.373 1.917 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.634 -6.281 1.002 1.00 0.00 H new ATOM 1846 N ARG A 54 4.432 -4.312 -2.271 1.00 0.00 N ATOM 1847 CA ARG A 54 5.150 -4.970 -3.406 1.00 0.00 C ATOM 1848 C ARG A 54 6.582 -4.425 -3.480 1.00 0.00 C ATOM 1849 O ARG A 54 6.876 -3.363 -2.967 1.00 0.00 O ATOM 1850 CB ARG A 54 4.404 -4.657 -4.714 1.00 0.00 C ATOM 1851 CG ARG A 54 4.821 -5.640 -5.825 1.00 0.00 C ATOM 1852 CD ARG A 54 3.996 -6.933 -5.733 1.00 0.00 C ATOM 1853 NE ARG A 54 4.530 -7.935 -6.697 1.00 0.00 N ATOM 1854 CZ ARG A 54 4.207 -9.194 -6.572 1.00 0.00 C ATOM 1855 NH1 ARG A 54 3.472 -9.582 -5.567 1.00 0.00 N ATOM 1856 NH2 ARG A 54 4.633 -10.066 -7.445 1.00 0.00 N ATOM 0 H ARG A 54 4.755 -3.370 -2.050 1.00 0.00 H new ATOM 0 HA ARG A 54 5.184 -6.049 -3.255 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.328 -4.721 -4.550 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.619 -3.635 -5.026 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.677 -5.178 -6.801 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.882 -5.871 -5.735 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.037 -7.331 -4.719 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.949 -6.725 -5.952 1.00 0.00 H new ATOM 0 HE ARG A 54 5.147 -7.638 -7.453 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.149 -8.902 -4.879 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.220 -10.565 -5.469 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.218 -9.764 -8.224 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.381 -11.050 -7.348 1.00 0.00 H new ATOM 1870 N ASN A 55 7.478 -5.141 -4.105 1.00 0.00 N ATOM 1871 CA ASN A 55 8.884 -4.648 -4.194 1.00 0.00 C ATOM 1872 C ASN A 55 8.875 -3.204 -4.702 1.00 0.00 C ATOM 1873 O ASN A 55 8.157 -2.862 -5.620 1.00 0.00 O ATOM 1874 CB ASN A 55 9.686 -5.534 -5.155 1.00 0.00 C ATOM 1875 CG ASN A 55 11.136 -5.046 -5.216 1.00 0.00 C ATOM 1876 OD1 ASN A 55 11.639 -4.734 -6.277 1.00 0.00 O ATOM 1877 ND2 ASN A 55 11.834 -4.966 -4.115 1.00 0.00 N ATOM 0 H ASN A 55 7.300 -6.039 -4.555 1.00 0.00 H new ATOM 0 HA ASN A 55 9.350 -4.687 -3.209 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.655 -6.571 -4.821 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.240 -5.506 -6.149 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.801 -4.642 -4.146 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.413 -5.228 -3.224 1.00 0.00 H new ATOM 1884 N ARG A 56 9.659 -2.352 -4.099 1.00 0.00 N ATOM 1885 CA ARG A 56 9.687 -0.924 -4.531 1.00 0.00 C ATOM 1886 C ARG A 56 9.899 -0.874 -6.050 1.00 0.00 C ATOM 1887 O ARG A 56 10.861 -1.403 -6.571 1.00 0.00 O ATOM 1888 CB ARG A 56 10.842 -0.202 -3.791 1.00 0.00 C ATOM 1889 CG ARG A 56 10.382 1.166 -3.249 1.00 0.00 C ATOM 1890 CD ARG A 56 9.948 2.092 -4.403 1.00 0.00 C ATOM 1891 NE ARG A 56 8.464 2.215 -4.396 1.00 0.00 N ATOM 1892 CZ ARG A 56 7.889 3.132 -5.119 1.00 0.00 C ATOM 1893 NH1 ARG A 56 8.617 3.914 -5.867 1.00 0.00 N ATOM 1894 NH2 ARG A 56 6.591 3.259 -5.109 1.00 0.00 N ATOM 0 H ARG A 56 10.282 -2.583 -3.325 1.00 0.00 H new ATOM 0 HA ARG A 56 8.748 -0.426 -4.289 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.195 -0.823 -2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.683 -0.064 -4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.552 1.028 -2.556 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.192 1.631 -2.688 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.407 3.074 -4.290 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.288 1.689 -5.357 1.00 0.00 H new ATOM 0 HE ARG A 56 7.900 1.583 -3.827 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.631 3.805 -5.883 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.172 4.634 -6.436 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.022 2.638 -4.533 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.145 3.979 -5.677 1.00 0.00 H new ATOM 1908 N LYS A 57 9.000 -0.255 -6.762 1.00 0.00 N ATOM 1909 CA LYS A 57 9.140 -0.187 -8.242 1.00 0.00 C ATOM 1910 C LYS A 57 10.304 0.724 -8.622 1.00 0.00 C ATOM 1911 O LYS A 57 11.009 1.233 -7.773 1.00 0.00 O ATOM 1912 CB LYS A 57 7.853 0.346 -8.842 1.00 0.00 C ATOM 1913 CG LYS A 57 7.524 1.684 -8.210 1.00 0.00 C ATOM 1914 CD LYS A 57 6.230 2.196 -8.823 1.00 0.00 C ATOM 1915 CE LYS A 57 5.926 3.614 -8.325 1.00 0.00 C ATOM 1916 NZ LYS A 57 5.002 4.277 -9.287 1.00 0.00 N ATOM 0 H LYS A 57 8.174 0.207 -6.382 1.00 0.00 H new ATOM 0 HA LYS A 57 9.339 -1.186 -8.629 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.959 0.457 -9.921 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.039 -0.359 -8.673 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.417 1.578 -7.130 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.333 2.394 -8.382 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.310 2.195 -9.910 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.408 1.529 -8.563 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.474 3.576 -7.334 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.849 4.187 -8.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.790 5.240 -8.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.451 4.323 -10.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.119 3.731 -9.352 1.00 0.00 H new ATOM 1930 N VAL A 58 10.513 0.929 -9.898 1.00 0.00 N ATOM 1931 CA VAL A 58 11.635 1.802 -10.352 1.00 0.00 C ATOM 1932 C VAL A 58 11.693 3.059 -9.483 1.00 0.00 C ATOM 1933 O VAL A 58 10.685 3.537 -9.001 1.00 0.00 O ATOM 1934 CB VAL A 58 11.400 2.212 -11.806 1.00 0.00 C ATOM 1935 CG1 VAL A 58 12.577 3.056 -12.295 1.00 0.00 C ATOM 1936 CG2 VAL A 58 11.276 0.957 -12.671 1.00 0.00 C ATOM 0 H VAL A 58 9.951 0.526 -10.648 1.00 0.00 H new ATOM 0 HA VAL A 58 12.574 1.255 -10.267 1.00 0.00 H new ATOM 0 HB VAL A 58 10.483 2.796 -11.877 1.00 0.00 H new ATOM 0 HG11 VAL A 58 12.409 3.348 -13.332 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.666 3.949 -11.676 1.00 0.00 H new ATOM 0 HG13 VAL A 58 13.496 2.474 -12.226 1.00 0.00 H new ATOM 0 HG21 VAL A 58 11.108 1.245 -13.709 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.194 0.374 -12.600 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.437 0.356 -12.321 1.00 0.00 H new