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 7 CYS SG : rot 154:sc= 0.166 USER MOD Set 1.2: A 10 CYS SG : rot -52:sc= -1.23 USER MOD Set 1.3: A 28 CYS SG : rot -121:sc= 0.122 USER MOD Set 1.4: A 31 CYS SG : rot 149:sc= 0.192 USER MOD Set 2.1: A 16 THR OG1 : rot -170:sc= 0.154 USER MOD Set 2.2: A 29 ASN : amide:sc= -5.04! C(o=-4.9!,f=-7.2!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 81:sc= 0.594 USER MOD Single : A 9 ASN : amide:sc= -3.22! C(o=-3.2!,f=-2.6!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 60:sc= 0.538 USER MOD Single : A 15 THR OG1 : rot -137:sc= 1.1 USER MOD Single : A 21 SER OG : rot 160:sc= 0.486 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 150:sc= -1.42 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= -0.979 (180deg=-0.979) USER MOD Single : A 38 HIS : no HD1:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.0663 K(o=-0.066,f=-2.2!) USER MOD Single : A 41 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.3!) USER MOD Single : A 45 THR OG1 : rot 11:sc= 0.541! USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 57 LYS NZ :NH3+ 160:sc= -0.082 (180deg=-0.497) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -6.516 10.035 14.759 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.206 9.280 15.847 1.00 0.00 C ATOM 1070 C ALA A 3 -8.717 9.201 15.590 1.00 0.00 C ATOM 1071 O ALA A 3 -9.404 10.203 15.563 1.00 0.00 O ATOM 1072 CB ALA A 3 -6.973 10.015 17.170 1.00 0.00 C ATOM 0 HA ALA A 3 -6.805 8.267 15.882 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.470 9.477 17.977 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.903 10.067 17.374 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.379 11.024 17.102 1.00 0.00 H new ATOM 1078 N GLY A 4 -9.246 8.013 15.438 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.722 7.864 15.226 1.00 0.00 C ATOM 1080 C GLY A 4 -11.083 7.995 13.744 1.00 0.00 C ATOM 1081 O GLY A 4 -12.214 7.781 13.356 1.00 0.00 O ATOM 0 H GLY A 4 -8.721 7.139 15.451 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.050 6.894 15.599 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.253 8.622 15.801 1.00 0.00 H new ATOM 1085 N THR A 5 -10.150 8.357 12.913 1.00 0.00 N ATOM 1086 CA THR A 5 -10.475 8.509 11.469 1.00 0.00 C ATOM 1087 C THR A 5 -10.776 7.144 10.863 1.00 0.00 C ATOM 1088 O THR A 5 -9.904 6.311 10.708 1.00 0.00 O ATOM 1089 CB THR A 5 -9.296 9.133 10.732 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.816 10.243 11.477 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.742 9.603 9.341 1.00 0.00 C ATOM 0 H THR A 5 -9.182 8.553 13.168 1.00 0.00 H new ATOM 0 HA THR A 5 -11.347 9.155 11.371 1.00 0.00 H new ATOM 0 HB THR A 5 -8.504 8.393 10.621 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.056 10.647 11.008 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.895 10.048 8.819 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.113 8.751 8.771 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.535 10.344 9.444 1.00 0.00 H new ATOM 1099 N VAL A 6 -12.009 6.930 10.494 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.415 5.643 9.858 1.00 0.00 C ATOM 1101 C VAL A 6 -12.905 5.973 8.462 1.00 0.00 C ATOM 1102 O VAL A 6 -13.525 6.995 8.242 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.542 4.982 10.656 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.999 4.510 12.005 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.677 5.984 10.885 1.00 0.00 C ATOM 0 H VAL A 6 -12.766 7.604 10.608 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.574 4.950 9.830 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.926 4.129 10.096 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.800 4.039 12.575 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.197 3.790 11.843 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.612 5.364 12.561 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.475 5.506 11.453 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.299 6.842 11.441 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.067 6.319 9.924 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.634 5.146 7.505 1.00 0.00 N ATOM 1116 CA CYS A 7 -13.087 5.449 6.132 1.00 0.00 C ATOM 1117 C CYS A 7 -14.599 5.520 6.084 1.00 0.00 C ATOM 1118 O CYS A 7 -15.295 4.550 6.308 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.588 4.356 5.208 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.989 4.771 3.494 1.00 0.00 S ATOM 0 H CYS A 7 -12.118 4.273 7.614 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.689 6.413 5.816 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.510 4.236 5.320 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.044 3.403 5.477 1.00 0.00 H new ATOM 0 HG CYS A 7 -12.141 4.191 2.697 1.00 0.00 H new ATOM 1125 N SER A 8 -15.104 6.671 5.778 1.00 0.00 N ATOM 1126 CA SER A 8 -16.565 6.840 5.691 1.00 0.00 C ATOM 1127 C SER A 8 -17.124 5.900 4.624 1.00 0.00 C ATOM 1128 O SER A 8 -18.197 5.351 4.776 1.00 0.00 O ATOM 1129 CB SER A 8 -16.884 8.287 5.315 1.00 0.00 C ATOM 1130 OG SER A 8 -16.425 9.150 6.347 1.00 0.00 O ATOM 0 H SER A 8 -14.559 7.511 5.582 1.00 0.00 H new ATOM 0 HA SER A 8 -17.019 6.604 6.654 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.405 8.544 4.370 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.958 8.410 5.172 1.00 0.00 H new ATOM 0 HG SER A 8 -15.462 9.300 6.244 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.431 5.731 3.519 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.978 4.852 2.448 1.00 0.00 C ATOM 1138 C ASN A 9 -16.830 3.362 2.780 1.00 0.00 C ATOM 1139 O ASN A 9 -17.720 2.597 2.465 1.00 0.00 O ATOM 1140 CB ASN A 9 -16.256 5.142 1.129 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.659 6.525 0.603 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -16.039 7.042 -0.305 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -17.674 7.152 1.135 1.00 0.00 N ATOM 0 H ASN A 9 -15.526 6.158 3.320 1.00 0.00 H new ATOM 0 HA ASN A 9 -18.043 5.071 2.364 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -15.177 5.101 1.279 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.505 4.377 0.393 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -17.944 8.072 0.788 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -18.197 6.721 1.897 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.728 2.905 3.371 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.607 1.423 3.644 1.00 0.00 C ATOM 1152 C CYS A 10 -15.213 1.119 5.099 1.00 0.00 C ATOM 1153 O CYS A 10 -14.937 -0.015 5.430 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.613 0.775 2.664 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.904 1.092 3.171 1.00 0.00 S ATOM 0 H CYS A 10 -14.936 3.476 3.665 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.595 0.989 3.489 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.789 -0.300 2.619 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.777 1.168 1.661 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.736 2.367 3.358 1.00 0.00 H new ATOM 1160 N GLN A 11 -15.241 2.088 5.981 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.939 1.818 7.428 1.00 0.00 C ATOM 1162 C GLN A 11 -13.494 1.343 7.681 1.00 0.00 C ATOM 1163 O GLN A 11 -13.107 1.147 8.814 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.928 0.760 7.947 1.00 0.00 C ATOM 1165 CG GLN A 11 -15.966 0.777 9.476 1.00 0.00 C ATOM 1166 CD GLN A 11 -17.033 -0.196 9.976 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -17.174 -1.284 9.455 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -17.793 0.153 10.977 1.00 0.00 N ATOM 0 H GLN A 11 -15.461 3.060 5.763 1.00 0.00 H new ATOM 0 HA GLN A 11 -15.047 2.762 7.962 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -16.924 0.956 7.549 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.633 -0.228 7.594 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.991 0.500 9.877 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -16.183 1.784 9.833 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -17.673 1.067 11.414 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -18.507 -0.488 11.323 1.00 0.00 H new ATOM 1177 N THR A 12 -12.676 1.160 6.685 1.00 0.00 N ATOM 1178 CA THR A 12 -11.284 0.705 6.993 1.00 0.00 C ATOM 1179 C THR A 12 -10.587 1.772 7.859 1.00 0.00 C ATOM 1180 O THR A 12 -10.988 2.919 7.864 1.00 0.00 O ATOM 1181 CB THR A 12 -10.504 0.459 5.684 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.315 -0.264 5.972 1.00 0.00 O ATOM 1183 CG2 THR A 12 -10.136 1.773 4.987 1.00 0.00 C ATOM 0 H THR A 12 -12.896 1.299 5.699 1.00 0.00 H new ATOM 0 HA THR A 12 -11.315 -0.234 7.545 1.00 0.00 H new ATOM 0 HB THR A 12 -11.147 -0.112 5.014 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.819 -0.423 5.142 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.588 1.557 4.070 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.045 2.324 4.746 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.513 2.374 5.649 1.00 0.00 H new ATOM 1191 N SER A 13 -9.544 1.417 8.579 1.00 0.00 N ATOM 1192 CA SER A 13 -8.816 2.430 9.425 1.00 0.00 C ATOM 1193 C SER A 13 -7.303 2.236 9.233 1.00 0.00 C ATOM 1194 O SER A 13 -6.494 2.764 9.970 1.00 0.00 O ATOM 1195 CB SER A 13 -9.192 2.244 10.899 1.00 0.00 C ATOM 1196 OG SER A 13 -10.583 1.962 10.996 1.00 0.00 O ATOM 0 H SER A 13 -9.164 0.471 8.619 1.00 0.00 H new ATOM 0 HA SER A 13 -9.097 3.439 9.123 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.613 1.430 11.334 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.951 3.144 11.464 1.00 0.00 H new ATOM 0 HG SER A 13 -10.827 1.841 11.937 1.00 0.00 H new ATOM 1202 N THR A 14 -6.929 1.475 8.234 1.00 0.00 N ATOM 1203 CA THR A 14 -5.480 1.213 7.937 1.00 0.00 C ATOM 1204 C THR A 14 -5.138 1.827 6.583 1.00 0.00 C ATOM 1205 O THR A 14 -4.619 1.179 5.707 1.00 0.00 O ATOM 1206 CB THR A 14 -5.253 -0.296 7.861 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.725 -0.777 6.610 1.00 0.00 O ATOM 1208 CG2 THR A 14 -6.010 -0.989 8.991 1.00 0.00 C ATOM 0 H THR A 14 -7.578 1.014 7.597 1.00 0.00 H new ATOM 0 HA THR A 14 -4.855 1.647 8.718 1.00 0.00 H new ATOM 0 HB THR A 14 -4.189 -0.509 7.960 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.242 -0.330 5.884 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.845 -2.065 8.933 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.650 -0.618 9.951 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.076 -0.779 8.897 1.00 0.00 H new ATOM 1216 N THR A 15 -5.503 3.046 6.385 1.00 0.00 N ATOM 1217 CA THR A 15 -5.282 3.699 5.058 1.00 0.00 C ATOM 1218 C THR A 15 -3.829 4.117 4.860 1.00 0.00 C ATOM 1219 O THR A 15 -3.148 4.510 5.785 1.00 0.00 O ATOM 1220 CB THR A 15 -6.150 4.952 5.001 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.481 6.023 5.654 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.448 4.667 5.734 1.00 0.00 C ATOM 0 H THR A 15 -5.951 3.636 7.086 1.00 0.00 H new ATOM 0 HA THR A 15 -5.538 2.984 4.276 1.00 0.00 H new ATOM 0 HB THR A 15 -6.345 5.223 3.963 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.120 6.520 6.206 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.084 5.552 5.705 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.962 3.835 5.253 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.231 4.410 6.771 1.00 0.00 H new ATOM 1230 N THR A 16 -3.368 4.086 3.635 1.00 0.00 N ATOM 1231 CA THR A 16 -1.982 4.537 3.360 1.00 0.00 C ATOM 1232 C THR A 16 -1.999 6.069 3.347 1.00 0.00 C ATOM 1233 O THR A 16 -1.104 6.720 3.849 1.00 0.00 O ATOM 1234 CB THR A 16 -1.499 4.039 1.993 1.00 0.00 C ATOM 1235 OG1 THR A 16 -2.411 4.449 0.985 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.358 2.518 1.972 1.00 0.00 C ATOM 0 H THR A 16 -3.894 3.768 2.821 1.00 0.00 H new ATOM 0 HA THR A 16 -1.310 4.142 4.122 1.00 0.00 H new ATOM 0 HB THR A 16 -0.517 4.473 1.802 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.190 4.001 0.142 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.014 2.198 0.988 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.635 2.209 2.727 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.324 2.060 2.185 1.00 0.00 H new ATOM 1244 N LEU A 17 -3.043 6.647 2.790 1.00 0.00 N ATOM 1245 CA LEU A 17 -3.166 8.142 2.753 1.00 0.00 C ATOM 1246 C LEU A 17 -4.648 8.505 2.945 1.00 0.00 C ATOM 1247 O LEU A 17 -5.513 7.972 2.276 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.663 8.695 1.394 1.00 0.00 C ATOM 1249 CG LEU A 17 -2.026 10.083 1.578 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.585 9.938 2.105 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -2.000 10.802 0.224 1.00 0.00 C ATOM 0 H LEU A 17 -3.818 6.143 2.358 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.559 8.582 3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.934 8.009 0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.494 8.760 0.692 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.611 10.657 2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.143 10.926 2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.599 9.421 3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.007 9.364 1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.550 11.787 0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.413 10.219 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.018 10.911 -0.150 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.951 9.406 3.842 1.00 0.00 N ATOM 1264 CA TRP A 18 -6.373 9.796 4.055 1.00 0.00 C ATOM 1265 C TRP A 18 -6.778 10.810 2.986 1.00 0.00 C ATOM 1266 O TRP A 18 -6.108 11.802 2.779 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.512 10.448 5.433 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.516 9.396 6.497 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.517 9.186 7.383 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.544 8.407 6.801 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.867 8.132 8.208 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -7.104 7.623 7.892 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.803 8.117 6.244 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.881 6.589 8.412 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.585 7.073 6.766 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -9.125 6.311 7.847 1.00 0.00 C ATOM 0 H TRP A 18 -4.275 9.887 4.435 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.011 8.914 3.994 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.690 11.143 5.600 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.434 11.028 5.479 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.597 9.749 7.438 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.278 7.775 8.960 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.170 8.699 5.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.522 6.007 9.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.549 6.856 6.330 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.732 5.510 8.242 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.865 10.565 2.302 1.00 0.00 N ATOM 1288 CA ARG A 19 -8.320 11.506 1.233 1.00 0.00 C ATOM 1289 C ARG A 19 -9.642 12.144 1.659 1.00 0.00 C ATOM 1290 O ARG A 19 -10.641 11.468 1.765 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.575 10.724 -0.073 1.00 0.00 C ATOM 1292 CG ARG A 19 -7.469 9.702 -0.325 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.215 10.409 -0.804 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.170 9.388 -1.099 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.115 9.697 -1.799 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.924 10.916 -2.212 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.238 8.781 -2.081 1.00 0.00 N ATOM 0 H ARG A 19 -8.461 9.749 2.438 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.553 12.265 1.077 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.538 10.216 -0.015 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.631 11.418 -0.911 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.258 9.148 0.590 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.795 8.976 -1.070 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.431 10.997 -1.696 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.860 11.104 -0.043 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.282 8.436 -0.749 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.604 11.643 -1.989 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.094 11.145 -2.759 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.377 7.825 -1.755 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.411 9.018 -2.629 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.693 13.423 1.875 1.00 0.00 N ATOM 1312 CA ARG A 20 -11.004 14.017 2.244 1.00 0.00 C ATOM 1313 C ARG A 20 -11.902 13.861 1.015 1.00 0.00 C ATOM 1314 O ARG A 20 -11.446 13.998 -0.102 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.842 15.502 2.584 1.00 0.00 C ATOM 1316 CG ARG A 20 -12.156 16.062 3.159 1.00 0.00 C ATOM 1317 CD ARG A 20 -12.242 15.775 4.662 1.00 0.00 C ATOM 1318 NE ARG A 20 -13.477 16.398 5.214 1.00 0.00 N ATOM 1319 CZ ARG A 20 -13.891 16.065 6.405 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -13.228 15.179 7.096 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -14.964 16.615 6.903 1.00 0.00 N ATOM 0 H ARG A 20 -8.907 14.070 1.815 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.427 13.524 3.119 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.036 15.631 3.306 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.561 16.059 1.690 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.210 17.136 2.983 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.006 15.612 2.646 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.254 14.699 4.838 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.363 16.171 5.170 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.996 17.082 4.663 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.390 14.750 6.704 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.548 14.915 8.028 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.481 17.307 6.361 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.286 16.353 7.835 1.00 0.00 H new ATOM 1335 N SER A 21 -13.162 13.563 1.193 1.00 0.00 N ATOM 1336 CA SER A 21 -14.056 13.386 0.001 1.00 0.00 C ATOM 1337 C SER A 21 -14.712 14.739 -0.350 1.00 0.00 C ATOM 1338 O SER A 21 -14.893 15.570 0.510 1.00 0.00 O ATOM 1339 CB SER A 21 -15.126 12.339 0.330 1.00 0.00 C ATOM 1340 OG SER A 21 -16.284 12.992 0.830 1.00 0.00 O ATOM 0 H SER A 21 -13.611 13.435 2.100 1.00 0.00 H new ATOM 0 HA SER A 21 -13.477 13.044 -0.857 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.375 11.764 -0.562 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.745 11.633 1.068 1.00 0.00 H new ATOM 0 HG SER A 21 -17.059 12.399 0.740 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.055 14.972 -1.605 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.693 16.263 -2.009 1.00 0.00 C ATOM 1348 C PRO A 22 -16.849 16.687 -1.084 1.00 0.00 C ATOM 1349 O PRO A 22 -17.179 17.852 -0.983 1.00 0.00 O ATOM 1350 CB PRO A 22 -16.218 15.937 -3.423 1.00 0.00 C ATOM 1351 CG PRO A 22 -15.574 14.617 -3.892 1.00 0.00 C ATOM 1352 CD PRO A 22 -14.826 13.990 -2.705 1.00 0.00 C ATOM 0 HA PRO A 22 -14.997 17.100 -1.961 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.304 15.846 -3.412 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -15.973 16.744 -4.113 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.338 13.933 -4.262 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.887 14.803 -4.717 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.220 13.005 -2.455 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.765 13.864 -2.918 1.00 0.00 H new ATOM 1360 N MET A 23 -17.467 15.746 -0.417 1.00 0.00 N ATOM 1361 CA MET A 23 -18.604 16.085 0.493 1.00 0.00 C ATOM 1362 C MET A 23 -18.069 16.357 1.900 1.00 0.00 C ATOM 1363 O MET A 23 -18.732 16.953 2.725 1.00 0.00 O ATOM 1364 CB MET A 23 -19.593 14.916 0.526 1.00 0.00 C ATOM 1365 CG MET A 23 -20.864 15.341 1.262 1.00 0.00 C ATOM 1366 SD MET A 23 -22.040 13.967 1.287 1.00 0.00 S ATOM 1367 CE MET A 23 -23.406 14.859 2.067 1.00 0.00 C ATOM 0 H MET A 23 -17.233 14.754 -0.463 1.00 0.00 H new ATOM 0 HA MET A 23 -19.114 16.977 0.128 1.00 0.00 H new ATOM 0 HB2 MET A 23 -19.836 14.603 -0.489 1.00 0.00 H new ATOM 0 HB3 MET A 23 -19.141 14.058 1.024 1.00 0.00 H new ATOM 0 HG2 MET A 23 -20.622 15.644 2.281 1.00 0.00 H new ATOM 0 HG3 MET A 23 -21.310 16.205 0.769 1.00 0.00 H new ATOM 0 HE1 MET A 23 -24.258 14.190 2.184 1.00 0.00 H new ATOM 0 HE2 MET A 23 -23.092 15.221 3.046 1.00 0.00 H new ATOM 0 HE3 MET A 23 -23.692 15.705 1.442 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.864 15.931 2.174 1.00 0.00 N ATOM 1378 CA GLY A 24 -16.255 16.162 3.521 1.00 0.00 C ATOM 1379 C GLY A 24 -16.337 14.883 4.357 1.00 0.00 C ATOM 1380 O GLY A 24 -16.302 14.923 5.572 1.00 0.00 O ATOM 0 H GLY A 24 -16.268 15.428 1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.215 16.469 3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.775 16.973 4.030 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.446 13.747 3.720 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.529 12.453 4.462 1.00 0.00 C ATOM 1386 C ASP A 25 -15.150 11.753 4.434 1.00 0.00 C ATOM 1387 O ASP A 25 -14.721 11.316 3.387 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.536 11.556 3.733 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.884 12.274 3.620 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.879 13.487 3.487 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.899 11.597 3.666 1.00 0.00 O ATOM 0 H ASP A 25 -16.482 13.659 2.704 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.831 12.632 5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -17.162 11.306 2.740 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.658 10.617 4.273 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.445 11.630 5.545 1.00 0.00 N ATOM 1397 CA PRO A 26 -13.109 10.950 5.529 1.00 0.00 C ATOM 1398 C PRO A 26 -13.141 9.594 4.792 1.00 0.00 C ATOM 1399 O PRO A 26 -13.963 8.748 5.082 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.843 10.766 7.034 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.686 11.813 7.770 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.894 12.138 6.879 1.00 0.00 C ATOM 0 HA PRO A 26 -12.342 11.515 4.999 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -13.114 9.760 7.353 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.784 10.897 7.257 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.014 11.431 8.737 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.099 12.711 7.964 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.800 11.638 7.222 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.109 13.206 6.857 1.00 0.00 H new ATOM 1410 N VAL A 27 -12.230 9.375 3.865 1.00 0.00 N ATOM 1411 CA VAL A 27 -12.190 8.054 3.135 1.00 0.00 C ATOM 1412 C VAL A 27 -10.747 7.558 3.025 1.00 0.00 C ATOM 1413 O VAL A 27 -9.808 8.317 3.166 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.813 8.154 1.742 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -14.325 8.354 1.875 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -12.180 9.314 0.973 1.00 0.00 C ATOM 0 H VAL A 27 -11.517 10.047 3.582 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.779 7.341 3.712 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.627 7.233 1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.771 8.426 0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.759 7.508 2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.523 9.271 2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.628 9.380 -0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.353 10.245 1.512 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.108 9.144 0.876 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.555 6.279 2.787 1.00 0.00 N ATOM 1427 CA CYS A 28 -9.170 5.736 2.686 1.00 0.00 C ATOM 1428 C CYS A 28 -8.590 5.954 1.285 1.00 0.00 C ATOM 1429 O CYS A 28 -9.296 6.173 0.320 1.00 0.00 O ATOM 1430 CB CYS A 28 -9.145 4.243 3.083 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.949 3.178 1.850 1.00 0.00 S ATOM 0 H CYS A 28 -11.299 5.593 2.659 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.537 6.281 3.386 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -8.111 3.923 3.215 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.642 4.118 4.045 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.925 2.526 2.410 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.289 5.921 1.197 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.576 6.153 -0.094 1.00 0.00 C ATOM 1438 C ASN A 29 -7.233 5.400 -1.251 1.00 0.00 C ATOM 1439 O ASN A 29 -7.425 5.945 -2.319 1.00 0.00 O ATOM 1440 CB ASN A 29 -5.141 5.647 0.069 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.333 5.934 -1.194 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.873 5.969 -2.280 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -3.048 6.140 -1.093 1.00 0.00 N ATOM 0 H ASN A 29 -6.672 5.738 1.988 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.609 7.217 -0.327 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.673 6.130 0.926 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.146 4.576 0.270 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.495 6.331 -1.928 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.597 6.110 -0.179 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.557 4.160 -1.072 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.168 3.396 -2.195 1.00 0.00 C ATOM 1452 C ALA A 30 -9.580 3.921 -2.527 1.00 0.00 C ATOM 1453 O ALA A 30 -9.881 4.206 -3.668 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.224 1.918 -1.821 1.00 0.00 C ATOM 0 H ALA A 30 -7.429 3.639 -0.205 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.553 3.527 -3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.670 1.352 -2.639 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.215 1.551 -1.635 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.827 1.793 -0.922 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.450 4.047 -1.554 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.830 4.546 -1.865 1.00 0.00 C ATOM 1462 C CYS A 31 -11.733 5.889 -2.579 1.00 0.00 C ATOM 1463 O CYS A 31 -12.385 6.132 -3.555 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.637 4.770 -0.578 1.00 0.00 C ATOM 1465 SG CYS A 31 -13.208 3.205 0.111 1.00 0.00 S ATOM 0 H CYS A 31 -10.271 3.831 -0.573 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.323 3.798 -2.486 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.021 5.290 0.155 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.492 5.412 -0.789 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.285 3.303 1.405 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.934 6.772 -2.085 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.834 8.104 -2.731 1.00 0.00 C ATOM 1472 C GLY A 32 -10.513 7.953 -4.218 1.00 0.00 C ATOM 1473 O GLY A 32 -11.145 8.556 -5.063 1.00 0.00 O ATOM 0 H GLY A 32 -10.344 6.636 -1.264 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.772 8.646 -2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.058 8.694 -2.243 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.529 7.169 -4.548 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.163 7.000 -5.982 1.00 0.00 C ATOM 1479 C LEU A 33 -10.251 6.217 -6.720 1.00 0.00 C ATOM 1480 O LEU A 33 -10.754 6.650 -7.735 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.837 6.245 -6.057 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.771 7.028 -5.279 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.479 6.205 -5.206 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.501 8.382 -5.966 1.00 0.00 C ATOM 0 H LEU A 33 -8.961 6.637 -3.888 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.066 7.977 -6.454 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.949 5.245 -5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.531 6.124 -7.096 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.132 7.217 -4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.723 6.763 -4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.677 5.261 -4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.117 6.006 -6.215 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.743 8.930 -5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.147 8.210 -6.983 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.422 8.965 -5.996 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.625 5.072 -6.227 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.684 4.285 -6.921 1.00 0.00 C ATOM 1498 C TYR A 34 -12.971 5.105 -6.984 1.00 0.00 C ATOM 1499 O TYR A 34 -13.612 5.200 -8.011 1.00 0.00 O ATOM 1500 CB TYR A 34 -11.951 2.982 -6.157 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.150 2.285 -6.761 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.443 2.695 -6.416 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -12.969 1.243 -7.674 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.554 2.062 -6.985 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -14.081 0.607 -8.241 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.373 1.018 -7.896 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.469 0.395 -8.458 1.00 0.00 O ATOM 0 H TYR A 34 -10.248 4.647 -5.380 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.349 4.049 -7.931 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.076 2.333 -6.205 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.132 3.195 -5.104 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.583 3.500 -5.710 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.972 0.928 -7.943 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.551 2.380 -6.720 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.941 -0.200 -8.944 1.00 0.00 H new ATOM 0 HH TYR A 34 -16.238 0.071 -9.353 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.360 5.682 -5.887 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.610 6.480 -5.860 1.00 0.00 C ATOM 1519 C TYR A 35 -14.511 7.639 -6.854 1.00 0.00 C ATOM 1520 O TYR A 35 -15.422 7.923 -7.583 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.832 7.038 -4.446 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.269 7.456 -4.303 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.653 8.742 -4.675 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.213 6.551 -3.806 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -17.991 9.133 -4.552 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.551 6.933 -3.680 1.00 0.00 C ATOM 1527 CZ TYR A 35 -18.942 8.229 -4.054 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.262 8.615 -3.935 1.00 0.00 O ATOM 0 H TYR A 35 -12.860 5.634 -4.999 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.448 5.840 -6.137 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.584 6.283 -3.700 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.173 7.888 -4.270 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -15.920 9.436 -5.058 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.907 5.556 -3.519 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.292 10.130 -4.840 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.281 6.235 -3.297 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.789 7.871 -3.576 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.426 8.333 -6.881 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.322 9.476 -7.827 1.00 0.00 C ATOM 1540 C LYS A 36 -13.485 8.988 -9.271 1.00 0.00 C ATOM 1541 O LYS A 36 -14.224 9.561 -10.045 1.00 0.00 O ATOM 1542 CB LYS A 36 -11.947 10.116 -7.647 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.784 11.305 -8.600 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.491 12.071 -8.269 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.273 11.355 -8.871 1.00 0.00 C ATOM 1546 NZ LYS A 36 -9.376 11.365 -10.358 1.00 0.00 N ATOM 0 H LYS A 36 -12.606 8.168 -6.297 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.109 10.202 -7.623 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.825 10.448 -6.616 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.167 9.379 -7.838 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.754 10.954 -9.631 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.643 11.971 -8.515 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.553 13.087 -8.660 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.375 12.152 -7.188 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.354 11.850 -8.556 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.224 10.329 -8.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.551 10.880 -10.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.245 10.874 -10.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.403 12.348 -10.698 1.00 0.00 H new ATOM 1560 N LEU A 37 -12.796 7.949 -9.646 1.00 0.00 N ATOM 1561 CA LEU A 37 -12.910 7.446 -11.046 1.00 0.00 C ATOM 1562 C LEU A 37 -14.287 6.803 -11.300 1.00 0.00 C ATOM 1563 O LEU A 37 -14.851 6.961 -12.364 1.00 0.00 O ATOM 1564 CB LEU A 37 -11.797 6.414 -11.297 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.486 7.127 -11.670 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.182 8.245 -10.664 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.341 6.112 -11.662 1.00 0.00 C ATOM 0 H LEU A 37 -12.159 7.425 -9.046 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.805 8.288 -11.730 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.647 5.805 -10.405 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.092 5.737 -12.099 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.589 7.565 -12.663 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.251 8.740 -10.941 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.995 8.971 -10.670 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.083 7.819 -9.666 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.409 6.612 -11.926 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.249 5.675 -10.668 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.548 5.325 -12.387 1.00 0.00 H new ATOM 1579 N HIS A 38 -14.820 6.056 -10.355 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.147 5.379 -10.583 1.00 0.00 C ATOM 1581 C HIS A 38 -17.278 6.025 -9.769 1.00 0.00 C ATOM 1582 O HIS A 38 -18.432 5.876 -10.102 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.027 3.909 -10.190 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.087 3.224 -11.137 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.540 2.482 -12.215 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -13.717 3.168 -11.192 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.462 2.016 -12.869 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.323 2.405 -12.288 1.00 0.00 N ATOM 0 H HIS A 38 -14.398 5.886 -9.442 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.398 5.484 -11.639 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -15.660 3.822 -9.167 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.006 3.431 -10.220 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.046 3.643 -10.492 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.510 1.402 -13.756 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -12.371 2.189 -12.584 1.00 0.00 H new ATOM 1596 N GLN A 39 -16.981 6.753 -8.727 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.050 7.415 -7.913 1.00 0.00 C ATOM 1598 C GLN A 39 -19.185 6.431 -7.580 1.00 0.00 C ATOM 1599 O GLN A 39 -20.350 6.687 -7.778 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.527 8.689 -8.634 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.628 9.407 -7.836 1.00 0.00 C ATOM 1602 CD GLN A 39 -19.835 10.810 -8.407 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -19.057 11.269 -9.219 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -20.865 11.512 -8.020 1.00 0.00 N ATOM 0 H GLN A 39 -16.030 6.922 -8.398 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.645 7.723 -6.949 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -17.683 9.363 -8.781 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -18.903 8.430 -9.624 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -20.558 8.841 -7.887 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -19.349 9.468 -6.784 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.518 11.126 -7.338 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.017 12.447 -8.399 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.828 5.306 -7.023 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.835 4.300 -6.604 1.00 0.00 C ATOM 1615 C VAL A 40 -19.271 3.543 -5.405 1.00 0.00 C ATOM 1616 O VAL A 40 -18.075 3.391 -5.265 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.140 3.323 -7.734 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -20.924 4.043 -8.834 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -18.833 2.728 -8.302 1.00 0.00 C ATOM 0 H VAL A 40 -17.861 5.040 -6.839 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.766 4.804 -6.343 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.743 2.503 -7.344 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.142 3.345 -9.642 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.858 4.426 -8.424 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.331 4.872 -9.221 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.070 2.033 -9.108 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.205 3.531 -8.688 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.300 2.199 -7.512 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.113 3.074 -4.536 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.607 2.332 -3.340 1.00 0.00 C ATOM 1631 C ASN A 41 -19.411 0.856 -3.706 1.00 0.00 C ATOM 1632 O ASN A 41 -20.264 0.259 -4.335 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.614 2.446 -2.192 1.00 0.00 C ATOM 1634 CG ASN A 41 -22.022 2.127 -2.698 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.287 1.029 -3.144 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.943 3.050 -2.645 1.00 0.00 N ATOM 0 H ASN A 41 -21.127 3.168 -4.595 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.656 2.761 -3.024 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.343 1.760 -1.390 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.588 3.452 -1.773 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.886 2.849 -2.978 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.720 3.972 -2.270 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.293 0.262 -3.334 1.00 0.00 N ATOM 1644 CA ARG A 42 -18.036 -1.184 -3.676 1.00 0.00 C ATOM 1645 C ARG A 42 -17.846 -2.009 -2.373 1.00 0.00 C ATOM 1646 O ARG A 42 -17.422 -1.482 -1.362 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.755 -1.289 -4.550 1.00 0.00 C ATOM 1648 CG ARG A 42 -17.104 -1.442 -6.050 1.00 0.00 C ATOM 1649 CD ARG A 42 -15.900 -2.026 -6.801 1.00 0.00 C ATOM 1650 NE ARG A 42 -16.255 -2.246 -8.233 1.00 0.00 N ATOM 1651 CZ ARG A 42 -15.315 -2.488 -9.108 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -14.073 -2.577 -8.718 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -15.618 -2.651 -10.368 1.00 0.00 N ATOM 0 H ARG A 42 -17.547 0.717 -2.808 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.888 -1.580 -4.228 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.141 -0.400 -4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.160 -2.142 -4.225 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -17.970 -2.093 -6.168 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -17.374 -0.474 -6.472 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -15.050 -1.347 -6.728 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.596 -2.968 -6.343 1.00 0.00 H new ATOM 0 HE ARG A 42 -17.230 -2.208 -8.529 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.838 -2.458 -7.733 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.337 -2.766 -9.399 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.590 -2.589 -10.671 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.883 -2.840 -11.049 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.159 -3.297 -2.401 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.010 -4.180 -1.197 1.00 0.00 C ATOM 1669 C PRO A 43 -16.563 -4.235 -0.663 1.00 0.00 C ATOM 1670 O PRO A 43 -15.608 -4.051 -1.391 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.464 -5.555 -1.735 1.00 0.00 C ATOM 1672 CG PRO A 43 -18.589 -5.453 -3.264 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.678 -3.968 -3.631 1.00 0.00 C ATOM 0 HA PRO A 43 -18.587 -3.823 -0.344 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -17.744 -6.327 -1.463 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -19.419 -5.840 -1.293 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -17.729 -5.915 -3.749 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -19.475 -5.986 -3.611 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -18.075 -3.730 -4.508 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.701 -3.667 -3.856 1.00 0.00 H new ATOM 1681 N LEU A 44 -16.412 -4.481 0.615 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.051 -4.545 1.236 1.00 0.00 C ATOM 1683 C LEU A 44 -14.252 -5.742 0.695 1.00 0.00 C ATOM 1684 O LEU A 44 -13.355 -6.234 1.350 1.00 0.00 O ATOM 1685 CB LEU A 44 -15.202 -4.716 2.757 1.00 0.00 C ATOM 1686 CG LEU A 44 -15.635 -3.392 3.407 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.138 -3.165 3.208 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -15.326 -3.436 4.910 1.00 0.00 C ATOM 0 H LEU A 44 -17.183 -4.642 1.263 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.521 -3.624 0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -15.938 -5.491 2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -14.257 -5.047 3.187 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.087 -2.575 2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.429 -2.223 3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.362 -3.127 2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -17.693 -3.983 3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -15.633 -2.498 5.372 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -15.870 -4.261 5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -14.256 -3.580 5.057 1.00 0.00 H new ATOM 1700 N THR A 45 -14.559 -6.221 -0.475 1.00 0.00 N ATOM 1701 CA THR A 45 -13.791 -7.384 -1.010 1.00 0.00 C ATOM 1702 C THR A 45 -12.323 -6.991 -1.186 1.00 0.00 C ATOM 1703 O THR A 45 -11.464 -7.832 -1.364 1.00 0.00 O ATOM 1704 CB THR A 45 -14.355 -7.797 -2.371 1.00 0.00 C ATOM 1705 OG1 THR A 45 -13.358 -8.506 -3.095 1.00 0.00 O ATOM 1706 CG2 THR A 45 -14.761 -6.550 -3.154 1.00 0.00 C ATOM 0 H THR A 45 -15.299 -5.865 -1.081 1.00 0.00 H new ATOM 0 HA THR A 45 -13.874 -8.215 -0.309 1.00 0.00 H new ATOM 0 HB THR A 45 -15.227 -8.434 -2.227 1.00 0.00 H new ATOM 0 HG1 THR A 45 -12.609 -8.717 -2.499 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.163 -6.844 -4.124 1.00 0.00 H new ATOM 0 HG22 THR A 45 -15.521 -6.002 -2.597 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.889 -5.913 -3.301 1.00 0.00 H new ATOM 1714 N MET A 46 -12.029 -5.715 -1.152 1.00 0.00 N ATOM 1715 CA MET A 46 -10.612 -5.257 -1.334 1.00 0.00 C ATOM 1716 C MET A 46 -9.980 -4.921 0.023 1.00 0.00 C ATOM 1717 O MET A 46 -8.783 -4.749 0.131 1.00 0.00 O ATOM 1718 CB MET A 46 -10.605 -3.990 -2.203 1.00 0.00 C ATOM 1719 CG MET A 46 -11.003 -4.330 -3.644 1.00 0.00 C ATOM 1720 SD MET A 46 -9.604 -5.098 -4.502 1.00 0.00 S ATOM 1721 CE MET A 46 -8.815 -3.574 -5.088 1.00 0.00 C ATOM 0 H MET A 46 -12.708 -4.968 -1.006 1.00 0.00 H new ATOM 0 HA MET A 46 -10.042 -6.055 -1.810 1.00 0.00 H new ATOM 0 HB2 MET A 46 -11.297 -3.255 -1.791 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.614 -3.537 -2.190 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.858 -5.006 -3.645 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.311 -3.426 -4.169 1.00 0.00 H new ATOM 0 HE1 MET A 46 -7.916 -3.823 -5.652 1.00 0.00 H new ATOM 0 HE2 MET A 46 -9.507 -3.030 -5.730 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.547 -2.952 -4.234 1.00 0.00 H new ATOM 1731 N ARG A 47 -10.774 -4.785 1.048 1.00 0.00 N ATOM 1732 CA ARG A 47 -10.218 -4.410 2.387 1.00 0.00 C ATOM 1733 C ARG A 47 -9.679 -5.626 3.146 1.00 0.00 C ATOM 1734 O ARG A 47 -10.294 -6.673 3.206 1.00 0.00 O ATOM 1735 CB ARG A 47 -11.309 -3.735 3.211 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.987 -2.646 2.370 1.00 0.00 C ATOM 1737 CD ARG A 47 -11.004 -1.532 2.038 1.00 0.00 C ATOM 1738 NE ARG A 47 -10.118 -1.944 0.913 1.00 0.00 N ATOM 1739 CZ ARG A 47 -9.378 -1.053 0.317 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -9.461 0.198 0.674 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -8.562 -1.407 -0.640 1.00 0.00 N ATOM 0 H ARG A 47 -11.785 -4.916 1.021 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.384 -3.727 2.226 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.045 -4.472 3.532 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.880 -3.298 4.113 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.376 -3.080 1.449 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.838 -2.237 2.914 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.547 -0.626 1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -10.403 -1.295 2.916 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.091 -2.918 0.611 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.103 0.475 1.417 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.884 0.900 0.211 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.502 -2.385 -0.924 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.985 -0.705 -1.104 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.527 -5.464 3.743 1.00 0.00 N ATOM 1756 CA LYS A 48 -7.891 -6.563 4.541 1.00 0.00 C ATOM 1757 C LYS A 48 -7.380 -5.985 5.865 1.00 0.00 C ATOM 1758 O LYS A 48 -7.153 -4.797 5.980 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.715 -7.155 3.760 1.00 0.00 C ATOM 1760 CG LYS A 48 -7.238 -7.940 2.555 1.00 0.00 C ATOM 1761 CD LYS A 48 -6.060 -8.441 1.705 1.00 0.00 C ATOM 1762 CE LYS A 48 -5.405 -9.661 2.367 1.00 0.00 C ATOM 1763 NZ LYS A 48 -4.459 -10.296 1.405 1.00 0.00 N ATOM 0 H LYS A 48 -7.987 -4.599 3.712 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.624 -7.346 4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.050 -6.358 3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.130 -7.809 4.406 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.839 -8.784 2.893 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.889 -7.307 1.952 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.409 -8.705 0.707 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.325 -7.645 1.586 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.875 -9.358 3.270 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.168 -10.378 2.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.014 -11.123 1.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.978 -10.598 0.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.725 -9.610 1.136 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.209 -6.811 6.868 1.00 0.00 N ATOM 1778 CA ASP A 49 -6.726 -6.310 8.193 1.00 0.00 C ATOM 1779 C ASP A 49 -5.605 -5.278 8.003 1.00 0.00 C ATOM 1780 O ASP A 49 -5.843 -4.087 8.007 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.199 -7.490 9.018 1.00 0.00 C ATOM 1782 CG ASP A 49 -7.248 -8.602 9.054 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -8.419 -8.283 9.167 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -6.860 -9.756 8.969 1.00 0.00 O ATOM 0 H ASP A 49 -7.384 -7.815 6.826 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.556 -5.832 8.713 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.272 -7.865 8.584 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.967 -7.163 10.031 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.386 -5.720 7.853 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.260 -4.758 7.680 1.00 0.00 C ATOM 1791 C GLY A 50 -3.328 -4.127 6.290 1.00 0.00 C ATOM 1792 O GLY A 50 -4.274 -4.329 5.553 1.00 0.00 O ATOM 0 H GLY A 50 -4.121 -6.705 7.843 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.311 -3.983 8.444 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.307 -5.272 7.810 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.327 -3.371 5.915 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.330 -2.742 4.569 1.00 0.00 C ATOM 1798 C ILE A 51 -1.646 -3.677 3.575 1.00 0.00 C ATOM 1799 O ILE A 51 -0.702 -4.371 3.898 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.599 -1.397 4.632 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.252 -0.541 5.741 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.698 -0.697 3.268 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.980 0.954 5.524 1.00 0.00 C ATOM 0 H ILE A 51 -1.508 -3.165 6.488 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.355 -2.567 4.242 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.544 -1.541 4.863 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.327 -0.719 5.755 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.866 -0.846 6.714 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.178 0.260 3.312 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.240 -1.324 2.503 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.746 -0.530 3.020 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.452 1.529 6.320 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.905 1.134 5.535 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.389 1.262 4.562 1.00 0.00 H new ATOM 1815 N GLN A 52 -2.119 -3.690 2.364 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.505 -4.566 1.334 1.00 0.00 C ATOM 1817 C GLN A 52 -0.144 -3.990 0.948 1.00 0.00 C ATOM 1818 O GLN A 52 0.055 -2.796 0.971 1.00 0.00 O ATOM 1819 CB GLN A 52 -2.397 -4.609 0.093 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.684 -5.374 0.402 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.564 -5.411 -0.849 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.765 -6.457 -1.433 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -5.097 -4.304 -1.293 1.00 0.00 N ATOM 0 H GLN A 52 -2.908 -3.129 2.042 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.391 -5.574 1.732 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.635 -3.595 -0.229 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.867 -5.089 -0.730 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.449 -6.388 0.725 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.218 -4.894 1.222 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.929 -3.425 -0.804 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.681 -4.319 -2.129 1.00 0.00 H new ATOM 1832 N THR A 53 0.806 -4.821 0.613 1.00 0.00 N ATOM 1833 CA THR A 53 2.156 -4.295 0.236 1.00 0.00 C ATOM 1834 C THR A 53 2.718 -5.084 -0.940 1.00 0.00 C ATOM 1835 O THR A 53 2.327 -6.200 -1.216 1.00 0.00 O ATOM 1836 CB THR A 53 3.111 -4.398 1.423 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.447 -4.502 0.947 1.00 0.00 O ATOM 1838 CG2 THR A 53 2.759 -5.626 2.243 1.00 0.00 C ATOM 0 H THR A 53 0.710 -5.836 0.583 1.00 0.00 H new ATOM 0 HA THR A 53 2.053 -3.249 -0.051 1.00 0.00 H new ATOM 0 HB THR A 53 3.021 -3.509 2.047 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.061 -4.566 1.708 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.438 -5.704 3.092 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.734 -5.540 2.605 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.851 -6.517 1.622 1.00 0.00 H new ATOM 1846 N ARG A 54 3.639 -4.487 -1.628 1.00 0.00 N ATOM 1847 CA ARG A 54 4.269 -5.146 -2.801 1.00 0.00 C ATOM 1848 C ARG A 54 5.687 -4.615 -2.993 1.00 0.00 C ATOM 1849 O ARG A 54 6.051 -3.584 -2.463 1.00 0.00 O ATOM 1850 CB ARG A 54 3.440 -4.864 -4.053 1.00 0.00 C ATOM 1851 CG ARG A 54 4.122 -5.522 -5.252 1.00 0.00 C ATOM 1852 CD ARG A 54 3.146 -5.639 -6.415 1.00 0.00 C ATOM 1853 NE ARG A 54 2.135 -6.695 -6.112 1.00 0.00 N ATOM 1854 CZ ARG A 54 1.084 -6.829 -6.874 1.00 0.00 C ATOM 1855 NH1 ARG A 54 0.936 -6.057 -7.915 1.00 0.00 N ATOM 1856 NH2 ARG A 54 0.187 -7.739 -6.601 1.00 0.00 N ATOM 0 H ARG A 54 3.991 -3.551 -1.425 1.00 0.00 H new ATOM 0 HA ARG A 54 4.310 -6.222 -2.629 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.429 -5.254 -3.932 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.350 -3.789 -4.212 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.989 -4.935 -5.554 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.488 -6.511 -4.974 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.650 -4.683 -6.585 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.683 -5.887 -7.331 1.00 0.00 H new ATOM 0 HE ARG A 54 2.266 -7.311 -5.310 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.640 -5.352 -8.131 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.116 -6.159 -8.513 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.307 -8.347 -5.791 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.634 -7.842 -7.198 1.00 0.00 H new ATOM 1870 N ASN A 55 6.495 -5.306 -3.753 1.00 0.00 N ATOM 1871 CA ASN A 55 7.887 -4.824 -3.973 1.00 0.00 C ATOM 1872 C ASN A 55 7.832 -3.347 -4.377 1.00 0.00 C ATOM 1873 O ASN A 55 7.040 -2.938 -5.203 1.00 0.00 O ATOM 1874 CB ASN A 55 8.556 -5.661 -5.069 1.00 0.00 C ATOM 1875 CG ASN A 55 8.709 -7.105 -4.581 1.00 0.00 C ATOM 1876 OD1 ASN A 55 9.388 -7.359 -3.606 1.00 0.00 O ATOM 1877 ND2 ASN A 55 8.097 -8.068 -5.218 1.00 0.00 N ATOM 0 H ASN A 55 6.253 -6.176 -4.227 1.00 0.00 H new ATOM 0 HA ASN A 55 8.474 -4.928 -3.060 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.957 -5.634 -5.979 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.532 -5.243 -5.317 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.190 -9.032 -4.897 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.527 -7.856 -6.037 1.00 0.00 H new ATOM 1884 N ARG A 56 8.652 -2.545 -3.759 1.00 0.00 N ATOM 1885 CA ARG A 56 8.660 -1.077 -4.033 1.00 0.00 C ATOM 1886 C ARG A 56 8.954 -0.786 -5.509 1.00 0.00 C ATOM 1887 O ARG A 56 9.879 -1.315 -6.092 1.00 0.00 O ATOM 1888 CB ARG A 56 9.737 -0.447 -3.150 1.00 0.00 C ATOM 1889 CG ARG A 56 9.959 1.025 -3.514 1.00 0.00 C ATOM 1890 CD ARG A 56 10.938 1.628 -2.512 1.00 0.00 C ATOM 1891 NE ARG A 56 11.441 2.922 -3.042 1.00 0.00 N ATOM 1892 CZ ARG A 56 12.225 3.663 -2.311 1.00 0.00 C ATOM 1893 NH1 ARG A 56 12.598 3.249 -1.132 1.00 0.00 N ATOM 1894 NH2 ARG A 56 12.644 4.815 -2.761 1.00 0.00 N ATOM 0 H ARG A 56 9.331 -2.849 -3.061 1.00 0.00 H new ATOM 0 HA ARG A 56 7.679 -0.657 -3.811 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.445 -0.526 -2.103 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.671 -0.997 -3.262 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.353 1.110 -4.527 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.014 1.567 -3.493 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.446 1.781 -1.551 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.769 0.944 -2.340 1.00 0.00 H new ATOM 0 HE ARG A 56 11.173 3.230 -3.977 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.276 2.346 -0.783 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.212 3.828 -0.559 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.358 5.136 -3.686 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.258 5.394 -2.188 1.00 0.00 H new ATOM 1908 N LYS A 57 8.156 0.060 -6.108 1.00 0.00 N ATOM 1909 CA LYS A 57 8.350 0.412 -7.546 1.00 0.00 C ATOM 1910 C LYS A 57 9.776 0.923 -7.772 1.00 0.00 C ATOM 1911 O LYS A 57 10.435 1.370 -6.855 1.00 0.00 O ATOM 1912 CB LYS A 57 7.349 1.505 -7.929 1.00 0.00 C ATOM 1913 CG LYS A 57 7.531 1.883 -9.407 1.00 0.00 C ATOM 1914 CD LYS A 57 6.268 2.577 -9.942 1.00 0.00 C ATOM 1915 CE LYS A 57 6.072 3.946 -9.279 1.00 0.00 C ATOM 1916 NZ LYS A 57 7.201 4.847 -9.641 1.00 0.00 N ATOM 0 H LYS A 57 7.370 0.527 -5.656 1.00 0.00 H new ATOM 0 HA LYS A 57 8.190 -0.473 -8.162 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.331 1.155 -7.756 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.496 2.382 -7.299 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.391 2.544 -9.517 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.739 0.989 -9.995 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.346 2.700 -11.022 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.397 1.950 -9.754 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.127 4.384 -9.601 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.018 3.832 -8.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.918 5.836 -9.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.025 4.628 -9.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.450 4.707 -10.641 1.00 0.00 H new ATOM 1930 N VAL A 58 10.262 0.844 -8.989 1.00 0.00 N ATOM 1931 CA VAL A 58 11.656 1.307 -9.275 1.00 0.00 C ATOM 1932 C VAL A 58 11.919 2.640 -8.577 1.00 0.00 C ATOM 1933 O VAL A 58 11.048 3.482 -8.472 1.00 0.00 O ATOM 1934 CB VAL A 58 11.864 1.466 -10.791 1.00 0.00 C ATOM 1935 CG1 VAL A 58 10.833 2.435 -11.380 1.00 0.00 C ATOM 1936 CG2 VAL A 58 13.278 2.002 -11.056 1.00 0.00 C ATOM 0 H VAL A 58 9.754 0.479 -9.795 1.00 0.00 H new ATOM 0 HA VAL A 58 12.355 0.561 -8.897 1.00 0.00 H new ATOM 0 HB VAL A 58 11.739 0.493 -11.266 1.00 0.00 H new ATOM 0 HG11 VAL A 58 10.998 2.533 -12.453 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.829 2.051 -11.201 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.938 3.411 -10.906 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.429 2.116 -12.130 1.00 0.00 H new ATOM 0 HG22 VAL A 58 13.398 2.969 -10.568 1.00 0.00 H new ATOM 0 HG23 VAL A 58 14.013 1.302 -10.659 1.00 0.00 H new