USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=19 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 48 LYS NZ :NH3+ 176:sc= 1.11 (180deg=-0.154) USER MOD Set 1.2: A 52 GLN : amide:sc= 0.978 K(o=2.1,f=-3) USER MOD Set 2.1: A 7 CYS SG : rot 154:sc= 0.335 USER MOD Set 2.2: A 10 CYS SG : rot -51:sc= -2.21 USER MOD Set 2.3: A 28 CYS SG : rot -122:sc= 0.743 USER MOD Set 2.4: A 31 CYS SG : rot 149:sc= -0.98 USER MOD Set 3.1: A 16 THR OG1 : rot -160:sc= 0.262 USER MOD Set 3.2: A 29 ASN : amide:sc= -4.93! C(o=-4.7!,f=-4.9!) USER MOD Set 4.1: A 12 THR OG1 : rot -113:sc= 0.00827 USER MOD Set 4.2: A 14 THR OG1 : rot 12:sc= 0.933 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 77:sc= 1.25 USER MOD Single : A 9 ASN : amide:sc= -3.44! C(o=-3.4!,f=-6.4!) USER MOD Single : A 11 GLN : amide:sc= -0.0296 K(o=-0.03,f=-1.1) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -134:sc= 0.328 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -128:sc= 0 (180deg=-0.0667) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 39 GLN : amide:sc=-0.00988 K(o=-0.0099,f=-0.86) USER MOD Single : A 41 ASN : amide:sc= -0.253 K(o=-0.25,f=-8.4!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -167:sc= -0.108 (180deg=-0.507) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.281 USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -7.212 9.227 14.451 1.00 0.00 N ATOM 1069 CA ALA A 3 -8.064 8.857 15.613 1.00 0.00 C ATOM 1070 C ALA A 3 -9.536 9.062 15.253 1.00 0.00 C ATOM 1071 O ALA A 3 -9.966 10.161 14.964 1.00 0.00 O ATOM 1072 CB ALA A 3 -7.702 9.751 16.803 1.00 0.00 C ATOM 0 HA ALA A 3 -7.898 7.811 15.872 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -8.322 9.486 17.659 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.652 9.609 17.058 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.874 10.795 16.540 1.00 0.00 H new ATOM 1078 N GLY A 4 -10.311 8.013 15.276 1.00 0.00 N ATOM 1079 CA GLY A 4 -11.760 8.143 14.946 1.00 0.00 C ATOM 1080 C GLY A 4 -11.964 8.191 13.429 1.00 0.00 C ATOM 1081 O GLY A 4 -13.064 8.020 12.943 1.00 0.00 O ATOM 0 H GLY A 4 -10.003 7.069 15.510 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.311 7.302 15.366 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.163 9.048 15.402 1.00 0.00 H new ATOM 1085 N THR A 5 -10.932 8.443 12.673 1.00 0.00 N ATOM 1086 CA THR A 5 -11.116 8.515 11.196 1.00 0.00 C ATOM 1087 C THR A 5 -11.407 7.123 10.635 1.00 0.00 C ATOM 1088 O THR A 5 -10.579 6.236 10.688 1.00 0.00 O ATOM 1089 CB THR A 5 -9.853 9.061 10.536 1.00 0.00 C ATOM 1090 OG1 THR A 5 -9.389 10.185 11.269 1.00 0.00 O ATOM 1091 CG2 THR A 5 -10.161 9.481 9.090 1.00 0.00 C ATOM 0 H THR A 5 -9.981 8.600 13.007 1.00 0.00 H new ATOM 0 HA THR A 5 -11.955 9.178 10.985 1.00 0.00 H new ATOM 0 HB THR A 5 -9.086 8.287 10.527 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.577 10.537 10.849 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.256 9.870 8.624 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.516 8.617 8.528 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.929 10.254 9.091 1.00 0.00 H new ATOM 1099 N VAL A 6 -12.571 6.944 10.066 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.937 5.634 9.446 1.00 0.00 C ATOM 1101 C VAL A 6 -13.272 5.923 7.991 1.00 0.00 C ATOM 1102 O VAL A 6 -13.864 6.939 7.684 1.00 0.00 O ATOM 1103 CB VAL A 6 -14.143 5.013 10.163 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -13.776 4.750 11.625 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -15.341 5.964 10.093 1.00 0.00 C ATOM 0 H VAL A 6 -13.294 7.660 10.004 1.00 0.00 H new ATOM 0 HA VAL A 6 -12.116 4.921 9.526 1.00 0.00 H new ATOM 0 HB VAL A 6 -14.410 4.075 9.677 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -14.629 4.309 12.140 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.930 4.064 11.670 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -13.507 5.690 12.107 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -16.192 5.515 10.604 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -15.085 6.908 10.574 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.600 6.147 9.050 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.899 5.079 7.082 1.00 0.00 N ATOM 1116 CA CYS A 7 -13.207 5.373 5.668 1.00 0.00 C ATOM 1117 C CYS A 7 -14.711 5.457 5.457 1.00 0.00 C ATOM 1118 O CYS A 7 -15.435 4.504 5.652 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.628 4.276 4.795 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.969 4.647 3.060 1.00 0.00 S ATOM 0 H CYS A 7 -12.399 4.207 7.255 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.766 6.333 5.399 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.553 4.197 4.957 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.063 3.314 5.065 1.00 0.00 H new ATOM 0 HG CYS A 7 -12.071 4.079 2.310 1.00 0.00 H new ATOM 1125 N SER A 8 -15.181 6.600 5.053 1.00 0.00 N ATOM 1126 CA SER A 8 -16.634 6.775 4.813 1.00 0.00 C ATOM 1127 C SER A 8 -17.102 5.793 3.735 1.00 0.00 C ATOM 1128 O SER A 8 -18.184 5.244 3.813 1.00 0.00 O ATOM 1129 CB SER A 8 -16.892 8.212 4.347 1.00 0.00 C ATOM 1130 OG SER A 8 -16.521 9.113 5.382 1.00 0.00 O ATOM 0 H SER A 8 -14.613 7.429 4.877 1.00 0.00 H new ATOM 0 HA SER A 8 -17.184 6.581 5.734 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.320 8.422 3.443 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.945 8.342 4.095 1.00 0.00 H new ATOM 0 HG SER A 8 -15.545 9.201 5.405 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.312 5.589 2.705 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.744 4.668 1.616 1.00 0.00 C ATOM 1138 C ASN A 9 -16.652 3.198 2.047 1.00 0.00 C ATOM 1139 O ASN A 9 -17.503 2.413 1.678 1.00 0.00 O ATOM 1140 CB ASN A 9 -15.841 4.878 0.397 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.121 6.243 -0.239 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -15.296 6.765 -0.961 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -17.256 6.849 -0.008 1.00 0.00 N ATOM 0 H ASN A 9 -15.396 6.019 2.576 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.784 4.892 1.377 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.794 4.815 0.695 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.012 4.087 -0.333 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -17.446 7.756 -0.434 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -17.952 6.414 0.598 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.630 2.784 2.788 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.538 1.324 3.164 1.00 0.00 C ATOM 1152 C CYS A 10 -15.199 1.106 4.650 1.00 0.00 C ATOM 1153 O CYS A 10 -14.875 0.005 5.049 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.505 0.619 2.267 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.815 0.963 2.821 1.00 0.00 S ATOM 0 H CYS A 10 -14.878 3.378 3.138 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.524 0.888 3.006 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.683 -0.456 2.279 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.627 0.951 1.236 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.659 2.245 2.968 1.00 0.00 H new ATOM 1160 N GLN A 11 -15.310 2.106 5.484 1.00 0.00 N ATOM 1161 CA GLN A 11 -15.045 1.921 6.950 1.00 0.00 C ATOM 1162 C GLN A 11 -13.642 1.372 7.269 1.00 0.00 C ATOM 1163 O GLN A 11 -13.326 1.185 8.428 1.00 0.00 O ATOM 1164 CB GLN A 11 -16.103 0.989 7.562 1.00 0.00 C ATOM 1165 CG GLN A 11 -17.457 1.700 7.609 1.00 0.00 C ATOM 1166 CD GLN A 11 -18.534 0.701 8.036 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -18.496 -0.450 7.649 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -19.496 1.089 8.829 1.00 0.00 N ATOM 0 H GLN A 11 -15.575 3.053 5.214 1.00 0.00 H new ATOM 0 HA GLN A 11 -15.100 2.917 7.390 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -16.182 0.076 6.971 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.802 0.693 8.567 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -17.419 2.534 8.310 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.697 2.116 6.631 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -19.530 2.055 9.155 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -20.214 0.426 9.122 1.00 0.00 H new ATOM 1177 N THR A 12 -12.780 1.121 6.317 1.00 0.00 N ATOM 1178 CA THR A 12 -11.434 0.613 6.723 1.00 0.00 C ATOM 1179 C THR A 12 -10.787 1.687 7.601 1.00 0.00 C ATOM 1180 O THR A 12 -11.033 2.862 7.412 1.00 0.00 O ATOM 1181 CB THR A 12 -10.552 0.330 5.496 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.346 -0.298 5.918 1.00 0.00 O ATOM 1183 CG2 THR A 12 -10.220 1.629 4.764 1.00 0.00 C ATOM 0 H THR A 12 -12.938 1.239 5.316 1.00 0.00 H new ATOM 0 HA THR A 12 -11.539 -0.326 7.266 1.00 0.00 H new ATOM 0 HB THR A 12 -11.095 -0.326 4.816 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.591 0.307 5.764 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.595 1.409 3.898 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.142 2.107 4.434 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.685 2.299 5.437 1.00 0.00 H new ATOM 1191 N SER A 13 -9.961 1.305 8.549 1.00 0.00 N ATOM 1192 CA SER A 13 -9.293 2.328 9.432 1.00 0.00 C ATOM 1193 C SER A 13 -7.805 2.341 9.104 1.00 0.00 C ATOM 1194 O SER A 13 -7.064 3.207 9.523 1.00 0.00 O ATOM 1195 CB SER A 13 -9.515 1.966 10.895 1.00 0.00 C ATOM 1196 OG SER A 13 -9.138 0.608 11.096 1.00 0.00 O ATOM 0 H SER A 13 -9.719 0.335 8.752 1.00 0.00 H new ATOM 0 HA SER A 13 -9.716 3.318 9.258 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.927 2.620 11.539 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.561 2.111 11.165 1.00 0.00 H new ATOM 0 HG SER A 13 -9.276 0.366 12.036 1.00 0.00 H new ATOM 1202 N THR A 14 -7.379 1.386 8.327 1.00 0.00 N ATOM 1203 CA THR A 14 -5.954 1.313 7.910 1.00 0.00 C ATOM 1204 C THR A 14 -5.871 1.881 6.499 1.00 0.00 C ATOM 1205 O THR A 14 -6.509 1.385 5.590 1.00 0.00 O ATOM 1206 CB THR A 14 -5.507 -0.152 7.909 1.00 0.00 C ATOM 1207 OG1 THR A 14 -6.260 -0.876 6.947 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.736 -0.758 9.293 1.00 0.00 C ATOM 0 H THR A 14 -7.969 0.641 7.958 1.00 0.00 H new ATOM 0 HA THR A 14 -5.311 1.874 8.588 1.00 0.00 H new ATOM 0 HB THR A 14 -4.447 -0.207 7.659 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.750 -0.249 6.375 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.418 -1.800 9.291 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.159 -0.204 10.033 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.795 -0.703 9.544 1.00 0.00 H new ATOM 1216 N THR A 15 -5.106 2.918 6.296 1.00 0.00 N ATOM 1217 CA THR A 15 -5.011 3.513 4.928 1.00 0.00 C ATOM 1218 C THR A 15 -3.604 4.035 4.696 1.00 0.00 C ATOM 1219 O THR A 15 -2.942 4.493 5.605 1.00 0.00 O ATOM 1220 CB THR A 15 -5.972 4.702 4.814 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.364 5.856 5.378 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.253 4.404 5.576 1.00 0.00 C ATOM 0 H THR A 15 -4.545 3.379 7.012 1.00 0.00 H new ATOM 0 HA THR A 15 -5.262 2.746 4.196 1.00 0.00 H new ATOM 0 HB THR A 15 -6.201 4.875 3.762 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.005 6.310 5.964 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.932 5.252 5.492 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.727 3.516 5.157 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.019 4.229 6.626 1.00 0.00 H new ATOM 1230 N THR A 16 -3.152 4.011 3.477 1.00 0.00 N ATOM 1231 CA THR A 16 -1.805 4.553 3.198 1.00 0.00 C ATOM 1232 C THR A 16 -1.900 6.074 3.299 1.00 0.00 C ATOM 1233 O THR A 16 -1.035 6.729 3.845 1.00 0.00 O ATOM 1234 CB THR A 16 -1.362 4.146 1.788 1.00 0.00 C ATOM 1235 OG1 THR A 16 -2.241 4.733 0.839 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.391 2.618 1.634 1.00 0.00 C ATOM 0 H THR A 16 -3.655 3.642 2.670 1.00 0.00 H new ATOM 0 HA THR A 16 -1.075 4.165 3.908 1.00 0.00 H new ATOM 0 HB THR A 16 -0.342 4.494 1.621 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.178 4.247 -0.010 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.074 2.348 0.627 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.716 2.166 2.361 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.404 2.254 1.805 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.970 6.641 2.794 1.00 0.00 N ATOM 1245 CA LEU A 17 -3.142 8.127 2.880 1.00 0.00 C ATOM 1246 C LEU A 17 -4.637 8.451 3.011 1.00 0.00 C ATOM 1247 O LEU A 17 -5.456 7.948 2.266 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.563 8.811 1.620 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.976 10.186 1.988 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.614 10.020 2.698 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.800 11.014 0.710 1.00 0.00 C ATOM 0 H LEU A 17 -3.728 6.142 2.328 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.605 8.502 3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.789 8.183 1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.344 8.929 0.869 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.658 10.696 2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.213 11.002 2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.747 9.437 3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.081 9.504 2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.385 11.989 0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.123 10.496 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.768 11.146 0.226 1.00 0.00 H new ATOM 1263 N TRP A 18 -5.000 9.301 3.935 1.00 0.00 N ATOM 1264 CA TRP A 18 -6.431 9.677 4.098 1.00 0.00 C ATOM 1265 C TRP A 18 -6.784 10.730 3.035 1.00 0.00 C ATOM 1266 O TRP A 18 -6.084 11.714 2.882 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.612 10.291 5.495 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.642 9.206 6.529 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.708 8.998 7.494 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.650 8.180 6.717 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -6.088 7.902 8.247 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -7.275 7.366 7.810 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.842 7.880 6.046 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -8.058 6.290 8.223 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.633 6.801 6.458 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -9.243 6.007 7.543 1.00 0.00 C ATOM 0 H TRP A 18 -4.360 9.753 4.588 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.075 8.805 3.985 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.797 10.984 5.706 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.537 10.866 5.532 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.818 9.590 7.647 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.551 7.535 9.033 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.153 8.484 5.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.751 5.681 9.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.551 6.579 5.935 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.859 5.176 7.853 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.849 10.532 2.290 1.00 0.00 N ATOM 1288 CA ARG A 19 -8.233 11.519 1.223 1.00 0.00 C ATOM 1289 C ARG A 19 -9.591 12.152 1.562 1.00 0.00 C ATOM 1290 O ARG A 19 -10.585 11.460 1.644 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.392 10.787 -0.128 1.00 0.00 C ATOM 1292 CG ARG A 19 -7.254 9.797 -0.374 1.00 0.00 C ATOM 1293 CD ARG A 19 -5.978 10.546 -0.726 1.00 0.00 C ATOM 1294 NE ARG A 19 -4.892 9.550 -0.975 1.00 0.00 N ATOM 1295 CZ ARG A 19 -3.751 9.915 -1.499 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.528 11.166 -1.804 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -2.830 9.023 -1.711 1.00 0.00 N ATOM 0 H ARG A 19 -8.471 9.728 2.374 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.456 12.282 1.164 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.345 10.257 -0.145 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.419 11.518 -0.936 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.094 9.187 0.515 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.521 9.117 -1.183 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.134 11.164 -1.610 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.697 11.217 0.086 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.043 8.571 -0.733 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.248 11.869 -1.634 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.634 11.440 -2.212 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.000 8.047 -1.469 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.937 9.299 -2.119 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.674 13.442 1.727 1.00 0.00 N ATOM 1312 CA ARG A 20 -11.009 14.038 2.014 1.00 0.00 C ATOM 1313 C ARG A 20 -11.857 13.882 0.740 1.00 0.00 C ATOM 1314 O ARG A 20 -11.353 14.025 -0.356 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.849 15.526 2.369 1.00 0.00 C ATOM 1316 CG ARG A 20 -12.113 16.037 3.085 1.00 0.00 C ATOM 1317 CD ARG A 20 -12.003 15.786 4.594 1.00 0.00 C ATOM 1318 NE ARG A 20 -10.801 16.491 5.123 1.00 0.00 N ATOM 1319 CZ ARG A 20 -10.631 16.632 6.410 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -11.485 16.103 7.245 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -9.604 17.294 6.861 1.00 0.00 N ATOM 0 H ARG A 20 -8.894 14.098 1.677 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.488 13.541 2.857 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.978 15.664 3.009 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.674 16.107 1.464 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.243 17.102 2.894 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.994 15.533 2.688 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.900 16.142 5.100 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.929 14.717 4.792 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.107 16.866 4.476 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.286 15.579 6.892 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.351 16.214 8.250 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.934 17.702 6.209 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.470 17.405 7.866 1.00 0.00 H new ATOM 1335 N SER A 21 -13.132 13.578 0.859 1.00 0.00 N ATOM 1336 CA SER A 21 -13.980 13.406 -0.374 1.00 0.00 C ATOM 1337 C SER A 21 -14.653 14.742 -0.746 1.00 0.00 C ATOM 1338 O SER A 21 -14.861 15.586 0.097 1.00 0.00 O ATOM 1339 CB SER A 21 -15.047 12.326 -0.128 1.00 0.00 C ATOM 1340 OG SER A 21 -14.541 11.061 -0.534 1.00 0.00 O ATOM 0 H SER A 21 -13.619 13.443 1.745 1.00 0.00 H new ATOM 0 HA SER A 21 -13.343 13.093 -1.201 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.317 12.300 0.928 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.954 12.562 -0.684 1.00 0.00 H new ATOM 0 HG SER A 21 -15.219 10.371 -0.376 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.006 14.929 -2.003 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.684 16.184 -2.443 1.00 0.00 C ATOM 1348 C PRO A 22 -16.862 16.601 -1.533 1.00 0.00 C ATOM 1349 O PRO A 22 -17.257 17.750 -1.507 1.00 0.00 O ATOM 1350 CB PRO A 22 -16.191 15.803 -3.853 1.00 0.00 C ATOM 1351 CG PRO A 22 -15.563 14.451 -4.257 1.00 0.00 C ATOM 1352 CD PRO A 22 -14.739 13.924 -3.075 1.00 0.00 C ATOM 0 HA PRO A 22 -15.015 17.044 -2.413 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.279 15.730 -3.857 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -15.921 16.575 -4.573 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.342 13.737 -4.524 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.929 14.575 -5.135 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.054 12.924 -2.778 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.678 13.865 -3.317 1.00 0.00 H new ATOM 1360 N MET A 23 -17.434 15.678 -0.800 1.00 0.00 N ATOM 1361 CA MET A 23 -18.592 16.025 0.087 1.00 0.00 C ATOM 1362 C MET A 23 -18.096 16.311 1.506 1.00 0.00 C ATOM 1363 O MET A 23 -18.818 16.832 2.334 1.00 0.00 O ATOM 1364 CB MET A 23 -19.553 14.835 0.124 1.00 0.00 C ATOM 1365 CG MET A 23 -20.163 14.634 -1.265 1.00 0.00 C ATOM 1366 SD MET A 23 -21.216 13.156 -1.269 1.00 0.00 S ATOM 1367 CE MET A 23 -22.688 13.852 -0.466 1.00 0.00 C ATOM 0 H MET A 23 -17.150 14.699 -0.776 1.00 0.00 H new ATOM 0 HA MET A 23 -19.096 16.910 -0.301 1.00 0.00 H new ATOM 0 HB2 MET A 23 -19.023 13.935 0.435 1.00 0.00 H new ATOM 0 HB3 MET A 23 -20.340 15.011 0.857 1.00 0.00 H new ATOM 0 HG2 MET A 23 -20.749 15.509 -1.545 1.00 0.00 H new ATOM 0 HG3 MET A 23 -19.372 14.530 -2.008 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.978 13.219 0.373 1.00 0.00 H new ATOM 0 HE2 MET A 23 -22.465 14.855 -0.103 1.00 0.00 H new ATOM 0 HE3 MET A 23 -23.506 13.900 -1.185 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.868 15.968 1.793 1.00 0.00 N ATOM 1378 CA GLY A 24 -16.310 16.201 3.159 1.00 0.00 C ATOM 1379 C GLY A 24 -16.385 14.896 3.960 1.00 0.00 C ATOM 1380 O GLY A 24 -16.355 14.906 5.175 1.00 0.00 O ATOM 0 H GLY A 24 -16.222 15.533 1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.277 16.541 3.090 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.871 16.986 3.666 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.490 13.765 3.294 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.580 12.453 4.011 1.00 0.00 C ATOM 1386 C ASP A 25 -15.213 11.722 3.971 1.00 0.00 C ATOM 1387 O ASP A 25 -14.796 11.274 2.921 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.603 11.578 3.274 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.891 12.372 3.040 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -19.304 13.075 3.946 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.443 12.260 1.958 1.00 0.00 O ATOM 0 H ASP A 25 -16.517 13.698 2.277 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.869 12.627 5.047 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -17.191 11.246 2.321 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.818 10.683 3.858 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.507 11.578 5.080 1.00 0.00 N ATOM 1397 CA PRO A 26 -13.186 10.871 5.062 1.00 0.00 C ATOM 1398 C PRO A 26 -13.222 9.521 4.318 1.00 0.00 C ATOM 1399 O PRO A 26 -14.121 8.724 4.504 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.921 10.666 6.563 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.775 11.688 7.324 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.944 12.091 6.414 1.00 0.00 C ATOM 0 HA PRO A 26 -12.418 11.434 4.532 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -13.180 9.651 6.863 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.864 10.806 6.789 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.146 11.259 8.255 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.179 12.561 7.590 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.883 11.639 6.735 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.097 13.170 6.404 1.00 0.00 H new ATOM 1410 N VAL A 27 -12.224 9.252 3.509 1.00 0.00 N ATOM 1411 CA VAL A 27 -12.161 7.934 2.782 1.00 0.00 C ATOM 1412 C VAL A 27 -10.719 7.421 2.759 1.00 0.00 C ATOM 1413 O VAL A 27 -9.788 8.174 2.963 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.680 8.056 1.349 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -14.196 8.253 1.375 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.987 9.229 0.646 1.00 0.00 C ATOM 0 H VAL A 27 -11.448 9.886 3.318 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.799 7.230 3.316 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.456 7.145 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.569 8.340 0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.666 7.398 1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.435 9.161 1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.359 9.313 -0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.197 10.152 1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.911 9.057 0.627 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.515 6.146 2.504 1.00 0.00 N ATOM 1427 CA CYS A 28 -9.122 5.610 2.460 1.00 0.00 C ATOM 1428 C CYS A 28 -8.513 5.845 1.069 1.00 0.00 C ATOM 1429 O CYS A 28 -9.211 5.998 0.085 1.00 0.00 O ATOM 1430 CB CYS A 28 -9.098 4.111 2.832 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.857 3.069 1.549 1.00 0.00 S ATOM 0 H CYS A 28 -11.250 5.462 2.326 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.518 6.141 3.196 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -8.067 3.795 2.991 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.625 3.964 3.775 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.842 2.395 2.064 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.209 5.893 0.997 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.510 6.143 -0.303 1.00 0.00 C ATOM 1438 C ASN A 29 -7.136 5.326 -1.436 1.00 0.00 C ATOM 1439 O ASN A 29 -7.325 5.817 -2.530 1.00 0.00 O ATOM 1440 CB ASN A 29 -5.040 5.723 -0.161 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.279 6.019 -1.459 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.857 6.030 -2.528 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -2.986 6.222 -1.416 1.00 0.00 N ATOM 0 H ASN A 29 -6.587 5.768 1.796 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.599 7.203 -0.543 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.580 6.258 0.670 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.978 4.660 0.071 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.467 6.389 -2.278 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.498 6.213 -0.520 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.433 4.085 -1.206 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.009 3.262 -2.305 1.00 0.00 C ATOM 1452 C ALA A 30 -9.407 3.763 -2.716 1.00 0.00 C ATOM 1453 O ALA A 30 -9.666 3.980 -3.882 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.072 1.812 -1.861 1.00 0.00 C ATOM 0 H ALA A 30 -7.305 3.604 -0.315 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.365 3.351 -3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.493 1.204 -2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.068 1.459 -1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.701 1.730 -0.974 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.317 3.939 -1.792 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.683 4.410 -2.183 1.00 0.00 C ATOM 1462 C CYS A 31 -11.591 5.754 -2.903 1.00 0.00 C ATOM 1463 O CYS A 31 -12.242 5.982 -3.884 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.553 4.606 -0.940 1.00 0.00 C ATOM 1465 SG CYS A 31 -13.077 3.017 -0.275 1.00 0.00 S ATOM 0 H CYS A 31 -10.177 3.779 -0.794 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.122 3.657 -2.837 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.995 5.157 -0.183 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.427 5.207 -1.192 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.209 3.109 1.015 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.804 6.655 -2.416 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.724 7.982 -3.082 1.00 0.00 C ATOM 1472 C GLY A 32 -10.479 7.805 -4.580 1.00 0.00 C ATOM 1473 O GLY A 32 -11.102 8.445 -5.405 1.00 0.00 O ATOM 0 H GLY A 32 -10.214 6.539 -1.592 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.649 8.535 -2.920 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.919 8.571 -2.641 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.560 6.958 -4.929 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.238 6.740 -6.364 1.00 0.00 C ATOM 1479 C LEU A 33 -10.350 5.945 -7.059 1.00 0.00 C ATOM 1480 O LEU A 33 -10.876 6.357 -8.069 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.918 5.970 -6.438 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.817 6.767 -5.717 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.519 5.941 -5.684 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.573 8.106 -6.444 1.00 0.00 C ATOM 0 H LEU A 33 -9.011 6.400 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.151 7.700 -6.873 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.031 4.988 -5.978 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.639 5.804 -7.479 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.135 6.975 -4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.740 6.507 -5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.696 5.006 -5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.200 5.724 -6.703 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.792 8.664 -5.927 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.261 7.911 -7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.493 8.690 -6.449 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.721 4.822 -6.530 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.799 4.028 -7.183 1.00 0.00 C ATOM 1498 C TYR A 34 -13.082 4.856 -7.242 1.00 0.00 C ATOM 1499 O TYR A 34 -13.798 4.847 -8.223 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.039 2.754 -6.373 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.288 2.053 -6.853 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.526 2.374 -6.291 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -13.202 1.075 -7.847 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.681 1.712 -6.720 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -14.358 0.414 -8.281 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.599 0.732 -7.715 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.738 0.075 -8.136 1.00 0.00 O ATOM 0 H TYR A 34 -10.331 4.417 -5.679 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.501 3.764 -8.198 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.181 2.088 -6.468 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.136 3.000 -5.316 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.591 3.133 -5.526 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.244 0.829 -8.281 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.637 1.958 -6.283 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -14.293 -0.340 -9.051 1.00 0.00 H new ATOM 0 HH TYR A 34 -16.503 -0.573 -8.833 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.382 5.561 -6.194 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.617 6.384 -6.158 1.00 0.00 C ATOM 1519 C TYR A 35 -14.551 7.489 -7.222 1.00 0.00 C ATOM 1520 O TYR A 35 -15.456 7.677 -7.997 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.713 7.019 -4.765 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.117 7.474 -4.478 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -17.064 6.563 -3.992 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -16.463 8.811 -4.666 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.362 6.991 -3.700 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -17.757 9.247 -4.373 1.00 0.00 C ATOM 1527 CZ TYR A 35 -18.713 8.337 -3.890 1.00 0.00 C ATOM 1528 OH TYR A 35 -19.994 8.766 -3.605 1.00 0.00 O ATOM 0 H TYR A 35 -12.815 5.603 -5.347 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.489 5.762 -6.363 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.399 6.298 -4.010 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.031 7.867 -4.700 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.791 5.529 -3.843 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -15.730 9.511 -5.039 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -19.093 6.288 -3.329 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -18.023 10.284 -4.518 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.067 9.725 -3.792 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.490 8.231 -7.260 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.400 9.338 -8.255 1.00 0.00 C ATOM 1540 C LYS A 36 -13.525 8.798 -9.687 1.00 0.00 C ATOM 1541 O LYS A 36 -14.201 9.383 -10.509 1.00 0.00 O ATOM 1542 CB LYS A 36 -12.046 10.029 -8.073 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.801 11.050 -9.189 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.512 11.826 -8.895 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.290 10.944 -9.179 1.00 0.00 C ATOM 1546 NZ LYS A 36 -8.068 11.790 -9.198 1.00 0.00 N ATOM 0 H LYS A 36 -12.680 8.125 -6.650 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.215 10.043 -8.094 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.015 10.528 -7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.250 9.285 -8.074 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.722 10.542 -10.150 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.644 11.737 -9.260 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.472 12.726 -9.509 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.503 12.150 -7.854 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.200 10.171 -8.416 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.409 10.435 -10.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.237 11.195 -9.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.157 12.512 -9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.954 12.256 -8.275 1.00 0.00 H new ATOM 1560 N LEU A 37 -12.906 7.702 -10.005 1.00 0.00 N ATOM 1561 CA LEU A 37 -13.031 7.177 -11.396 1.00 0.00 C ATOM 1562 C LEU A 37 -14.508 6.902 -11.693 1.00 0.00 C ATOM 1563 O LEU A 37 -15.032 7.332 -12.704 1.00 0.00 O ATOM 1564 CB LEU A 37 -12.208 5.884 -11.509 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.769 6.198 -11.965 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.179 7.370 -11.155 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.899 4.949 -11.778 1.00 0.00 C ATOM 0 H LEU A 37 -12.325 7.149 -9.375 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.656 7.903 -12.118 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.187 5.374 -10.546 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.681 5.206 -12.219 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.788 6.486 -13.016 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.163 7.572 -11.495 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.794 8.258 -11.300 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.162 7.109 -10.097 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.880 5.164 -12.099 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.896 4.662 -10.726 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.302 4.132 -12.376 1.00 0.00 H new ATOM 1579 N HIS A 38 -15.189 6.217 -10.818 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.640 5.945 -11.041 1.00 0.00 C ATOM 1581 C HIS A 38 -17.439 6.920 -10.179 1.00 0.00 C ATOM 1582 O HIS A 38 -18.064 7.824 -10.685 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.949 4.509 -10.611 1.00 0.00 C ATOM 1584 CG HIS A 38 -16.101 3.555 -11.404 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -16.594 2.865 -12.500 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -14.793 3.158 -11.266 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -15.599 2.092 -12.972 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -14.479 2.233 -12.256 1.00 0.00 N ATOM 0 H HIS A 38 -14.804 5.832 -9.955 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.901 6.069 -12.092 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -16.753 4.387 -9.546 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -18.005 4.290 -10.768 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -14.113 3.510 -10.505 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -15.694 1.437 -13.826 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -13.586 1.763 -12.404 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.407 6.684 -8.881 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.146 7.520 -7.859 1.00 0.00 C ATOM 1598 C GLN A 39 -19.295 6.681 -7.303 1.00 0.00 C ATOM 1599 O GLN A 39 -20.453 7.044 -7.375 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.681 8.834 -8.460 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.175 9.749 -7.341 1.00 0.00 C ATOM 1602 CD GLN A 39 -19.895 10.954 -7.950 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -20.632 10.818 -8.907 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -19.710 12.137 -7.431 1.00 0.00 N ATOM 0 H GLN A 39 -16.878 5.915 -8.470 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.454 7.802 -7.065 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -17.895 9.331 -9.029 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -19.493 8.623 -9.155 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -19.850 9.203 -6.681 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -18.335 10.083 -6.732 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -19.091 12.251 -6.628 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -20.184 12.948 -7.828 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.957 5.546 -6.749 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.966 4.631 -6.164 1.00 0.00 C ATOM 1615 C VAL A 40 -19.296 3.841 -5.032 1.00 0.00 C ATOM 1616 O VAL A 40 -18.086 3.798 -4.930 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.468 3.682 -7.246 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.424 4.429 -8.183 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -19.280 3.155 -8.051 1.00 0.00 C ATOM 0 H VAL A 40 -17.996 5.212 -6.679 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.814 5.191 -5.769 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.994 2.849 -6.780 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.782 3.749 -8.956 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.272 4.807 -7.612 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.899 5.263 -8.649 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.638 2.476 -8.825 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.756 3.990 -8.515 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.599 2.622 -7.388 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.064 3.229 -4.173 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.458 2.459 -3.040 1.00 0.00 C ATOM 1631 C ASN A 41 -19.123 1.028 -3.488 1.00 0.00 C ATOM 1632 O ASN A 41 -19.885 0.400 -4.194 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.469 2.403 -1.898 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.718 1.666 -2.384 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.043 1.712 -3.553 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.432 0.982 -1.536 1.00 0.00 N ATOM 0 H ASN A 41 -21.084 3.226 -4.203 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.540 2.950 -2.716 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.039 1.891 -1.037 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.728 3.411 -1.573 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.264 0.485 -1.854 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.159 0.943 -0.554 1.00 0.00 H new ATOM 1643 N ARG A 42 -17.978 0.511 -3.089 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.573 -0.876 -3.497 1.00 0.00 C ATOM 1645 C ARG A 42 -17.615 -1.826 -2.274 1.00 0.00 C ATOM 1646 O ARG A 42 -17.129 -1.471 -1.219 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.134 -0.817 -4.016 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.740 -2.168 -4.618 1.00 0.00 C ATOM 1649 CD ARG A 42 -14.274 -2.125 -5.055 1.00 0.00 C ATOM 1650 NE ARG A 42 -13.935 -3.374 -5.789 1.00 0.00 N ATOM 1651 CZ ARG A 42 -12.887 -3.409 -6.561 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -12.126 -2.355 -6.671 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -12.597 -4.498 -7.219 1.00 0.00 N ATOM 0 H ARG A 42 -17.305 0.995 -2.495 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.255 -1.246 -4.263 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.042 -0.033 -4.768 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -15.455 -0.560 -3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.889 -2.962 -3.886 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -16.378 -2.398 -5.471 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.099 -1.258 -5.692 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.628 -2.016 -4.184 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.523 -4.202 -5.688 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.353 -1.506 -6.153 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.304 -2.380 -7.275 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.191 -5.322 -7.129 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.776 -4.525 -7.824 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.166 -3.028 -2.391 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.198 -3.966 -1.230 1.00 0.00 C ATOM 1669 C PRO A 43 -16.850 -4.038 -0.495 1.00 0.00 C ATOM 1670 O PRO A 43 -15.802 -3.818 -1.068 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.559 -5.303 -1.899 1.00 0.00 C ATOM 1672 CG PRO A 43 -19.152 -4.993 -3.285 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.788 -3.542 -3.650 1.00 0.00 C ATOM 0 HA PRO A 43 -18.900 -3.662 -0.453 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -17.675 -5.933 -1.995 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -19.277 -5.852 -1.291 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -18.757 -5.683 -4.031 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -20.234 -5.122 -3.273 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -18.095 -3.498 -4.490 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.668 -2.963 -3.932 1.00 0.00 H new ATOM 1681 N LEU A 44 -16.882 -4.320 0.777 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.622 -4.381 1.570 1.00 0.00 C ATOM 1683 C LEU A 44 -14.794 -5.620 1.218 1.00 0.00 C ATOM 1684 O LEU A 44 -13.669 -5.753 1.650 1.00 0.00 O ATOM 1685 CB LEU A 44 -15.978 -4.400 3.070 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.035 -2.967 3.609 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.189 -2.214 2.948 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.235 -3.005 5.125 1.00 0.00 C ATOM 0 H LEU A 44 -17.733 -4.512 1.306 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.020 -3.504 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -16.939 -4.893 3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.236 -4.976 3.622 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.101 -2.453 3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.227 -1.195 3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.036 -2.188 1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.128 -2.721 3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.276 -1.987 5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.168 -3.519 5.356 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.404 -3.536 5.588 1.00 0.00 H new ATOM 1700 N THR A 45 -15.331 -6.534 0.468 1.00 0.00 N ATOM 1701 CA THR A 45 -14.548 -7.759 0.120 1.00 0.00 C ATOM 1702 C THR A 45 -13.121 -7.365 -0.305 1.00 0.00 C ATOM 1703 O THR A 45 -12.232 -8.189 -0.372 1.00 0.00 O ATOM 1704 CB THR A 45 -15.242 -8.500 -1.032 1.00 0.00 C ATOM 1705 OG1 THR A 45 -14.711 -9.816 -1.132 1.00 0.00 O ATOM 1706 CG2 THR A 45 -15.013 -7.752 -2.351 1.00 0.00 C ATOM 0 H THR A 45 -16.273 -6.492 0.079 1.00 0.00 H new ATOM 0 HA THR A 45 -14.494 -8.411 0.992 1.00 0.00 H new ATOM 0 HB THR A 45 -16.313 -8.550 -0.834 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.153 -10.292 -1.866 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.509 -8.285 -3.162 1.00 0.00 H new ATOM 0 HG22 THR A 45 -15.423 -6.745 -2.274 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.944 -7.694 -2.555 1.00 0.00 H new ATOM 1714 N MET A 46 -12.914 -6.110 -0.625 1.00 0.00 N ATOM 1715 CA MET A 46 -11.563 -5.654 -1.081 1.00 0.00 C ATOM 1716 C MET A 46 -10.647 -5.309 0.103 1.00 0.00 C ATOM 1717 O MET A 46 -9.441 -5.440 0.017 1.00 0.00 O ATOM 1718 CB MET A 46 -11.730 -4.403 -1.954 1.00 0.00 C ATOM 1719 CG MET A 46 -10.417 -4.080 -2.691 1.00 0.00 C ATOM 1720 SD MET A 46 -10.413 -4.896 -4.312 1.00 0.00 S ATOM 1721 CE MET A 46 -9.569 -3.583 -5.235 1.00 0.00 C ATOM 0 H MET A 46 -13.625 -5.380 -0.590 1.00 0.00 H new ATOM 0 HA MET A 46 -11.104 -6.468 -1.642 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.530 -4.561 -2.677 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.024 -3.556 -1.334 1.00 0.00 H new ATOM 0 HG2 MET A 46 -10.313 -3.002 -2.815 1.00 0.00 H new ATOM 0 HG3 MET A 46 -9.565 -4.417 -2.101 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.663 -3.772 -6.304 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.022 -2.621 -4.995 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.514 -3.566 -4.961 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.194 -4.824 1.187 1.00 0.00 N ATOM 1732 CA ARG A 47 -10.333 -4.422 2.344 1.00 0.00 C ATOM 1733 C ARG A 47 -9.772 -5.647 3.073 1.00 0.00 C ATOM 1734 O ARG A 47 -10.370 -6.703 3.114 1.00 0.00 O ATOM 1735 CB ARG A 47 -11.138 -3.564 3.352 1.00 0.00 C ATOM 1736 CG ARG A 47 -12.291 -2.827 2.661 1.00 0.00 C ATOM 1737 CD ARG A 47 -11.784 -1.923 1.528 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.934 -1.503 0.678 1.00 0.00 N ATOM 1739 CZ ARG A 47 -12.813 -0.488 -0.137 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -11.690 0.174 -0.199 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -13.820 -0.136 -0.889 1.00 0.00 N ATOM 0 H ARG A 47 -12.196 -4.688 1.323 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.505 -3.838 1.942 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.533 -4.203 4.142 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.475 -2.841 3.828 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.999 -3.552 2.260 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.831 -2.226 3.393 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.285 -1.047 1.942 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.047 -2.455 0.926 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.818 -2.009 0.732 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.903 -0.100 0.390 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.599 0.965 -0.836 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.698 -0.652 -0.840 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.729 0.655 -1.526 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.626 -5.476 3.673 1.00 0.00 N ATOM 1756 CA LYS A 48 -7.971 -6.569 4.453 1.00 0.00 C ATOM 1757 C LYS A 48 -7.497 -5.963 5.780 1.00 0.00 C ATOM 1758 O LYS A 48 -7.377 -4.758 5.896 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.787 -7.135 3.656 1.00 0.00 C ATOM 1760 CG LYS A 48 -7.320 -7.925 2.452 1.00 0.00 C ATOM 1761 CD LYS A 48 -6.152 -8.498 1.643 1.00 0.00 C ATOM 1762 CE LYS A 48 -6.693 -9.213 0.400 1.00 0.00 C ATOM 1763 NZ LYS A 48 -7.144 -8.201 -0.599 1.00 0.00 N ATOM 0 H LYS A 48 -8.101 -4.601 3.655 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.664 -7.388 4.643 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.141 -6.325 3.317 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.182 -7.782 4.291 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.967 -8.733 2.794 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.927 -7.276 1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.473 -7.698 1.349 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.579 -9.194 2.255 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.920 -9.848 -0.033 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.523 -9.864 0.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.448 -8.683 -1.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.940 -7.658 -0.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.359 -7.555 -0.818 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.270 -6.768 6.791 1.00 0.00 N ATOM 1778 CA ASP A 49 -6.843 -6.216 8.121 1.00 0.00 C ATOM 1779 C ASP A 49 -5.846 -5.073 7.942 1.00 0.00 C ATOM 1780 O ASP A 49 -6.209 -3.913 7.889 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.163 -7.315 8.947 1.00 0.00 C ATOM 1782 CG ASP A 49 -7.193 -8.354 9.391 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -7.534 -9.202 8.585 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -7.621 -8.285 10.531 1.00 0.00 O ATOM 0 H ASP A 49 -7.361 -7.783 6.755 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.734 -5.848 8.630 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.383 -7.795 8.356 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.678 -6.877 9.819 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.590 -5.397 7.869 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.553 -4.344 7.714 1.00 0.00 C ATOM 1791 C GLY A 50 -3.568 -3.816 6.280 1.00 0.00 C ATOM 1792 O GLY A 50 -4.482 -4.075 5.522 1.00 0.00 O ATOM 0 H GLY A 50 -4.234 -6.352 7.910 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.740 -3.530 8.414 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.570 -4.750 7.952 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.557 -3.078 5.901 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.496 -2.533 4.516 1.00 0.00 C ATOM 1798 C ILE A 51 -1.764 -3.526 3.600 1.00 0.00 C ATOM 1799 O ILE A 51 -0.810 -4.169 3.992 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.735 -1.204 4.527 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.334 -0.281 5.603 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.847 -0.539 3.146 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.895 1.167 5.359 1.00 0.00 C ATOM 0 H ILE A 51 -1.767 -2.829 6.497 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.509 -2.376 4.146 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.684 -1.384 4.753 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.422 -0.347 5.585 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.011 -0.605 6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.306 0.407 3.153 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.419 -1.197 2.390 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.896 -0.355 2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.324 1.812 6.126 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.808 1.229 5.400 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.240 1.491 4.377 1.00 0.00 H new ATOM 1815 N GLN A 52 -2.198 -3.625 2.375 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.535 -4.538 1.395 1.00 0.00 C ATOM 1817 C GLN A 52 -0.243 -3.870 0.899 1.00 0.00 C ATOM 1818 O GLN A 52 -0.127 -2.665 0.914 1.00 0.00 O ATOM 1819 CB GLN A 52 -2.481 -4.768 0.213 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.632 -5.679 0.637 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.618 -5.809 -0.522 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.768 -6.870 -1.095 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -5.296 -4.759 -0.900 1.00 0.00 N ATOM 0 H GLN A 52 -2.994 -3.106 2.004 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.300 -5.494 1.863 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.872 -3.814 -0.142 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.937 -5.218 -0.617 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.251 -6.661 0.919 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.134 -5.268 1.513 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.169 -3.869 -0.418 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.953 -4.829 -1.677 1.00 0.00 H new ATOM 1832 N THR A 53 0.750 -4.632 0.497 1.00 0.00 N ATOM 1833 CA THR A 53 2.032 -3.999 0.037 1.00 0.00 C ATOM 1834 C THR A 53 2.638 -4.760 -1.144 1.00 0.00 C ATOM 1835 O THR A 53 2.308 -5.899 -1.416 1.00 0.00 O ATOM 1836 CB THR A 53 3.025 -3.986 1.199 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.344 -3.821 0.697 1.00 0.00 O ATOM 1838 CG2 THR A 53 2.925 -5.301 1.977 1.00 0.00 C ATOM 0 H THR A 53 0.730 -5.651 0.467 1.00 0.00 H new ATOM 0 HA THR A 53 1.817 -2.982 -0.292 1.00 0.00 H new ATOM 0 HB THR A 53 2.790 -3.157 1.867 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.979 -3.811 1.443 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.634 -5.289 2.805 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.914 -5.417 2.367 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.156 -6.135 1.314 1.00 0.00 H new ATOM 1846 N ARG A 54 3.531 -4.113 -1.845 1.00 0.00 N ATOM 1847 CA ARG A 54 4.189 -4.752 -3.020 1.00 0.00 C ATOM 1848 C ARG A 54 5.592 -4.181 -3.228 1.00 0.00 C ATOM 1849 O ARG A 54 5.989 -3.218 -2.601 1.00 0.00 O ATOM 1850 CB ARG A 54 3.328 -4.544 -4.269 1.00 0.00 C ATOM 1851 CG ARG A 54 3.152 -3.055 -4.568 1.00 0.00 C ATOM 1852 CD ARG A 54 2.103 -2.900 -5.671 1.00 0.00 C ATOM 1853 NE ARG A 54 2.325 -3.957 -6.699 1.00 0.00 N ATOM 1854 CZ ARG A 54 1.410 -4.207 -7.592 1.00 0.00 C ATOM 1855 NH1 ARG A 54 0.296 -3.530 -7.599 1.00 0.00 N ATOM 1856 NH2 ARG A 54 1.615 -5.124 -8.484 1.00 0.00 N ATOM 0 H ARG A 54 3.835 -3.159 -1.651 1.00 0.00 H new ATOM 0 HA ARG A 54 4.287 -5.821 -2.834 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.793 -5.038 -5.122 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.352 -5.008 -4.124 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.838 -2.523 -3.670 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.100 -2.618 -4.883 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.100 -2.986 -5.252 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.176 -1.912 -6.125 1.00 0.00 H new ATOM 0 HE ARG A 54 3.197 -4.486 -6.703 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.138 -2.801 -6.903 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.417 -3.729 -8.300 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.490 -5.647 -8.485 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.901 -5.323 -9.185 1.00 0.00 H new ATOM 1870 N ASN A 55 6.352 -4.796 -4.092 1.00 0.00 N ATOM 1871 CA ASN A 55 7.747 -4.333 -4.347 1.00 0.00 C ATOM 1872 C ASN A 55 7.738 -2.945 -4.995 1.00 0.00 C ATOM 1873 O ASN A 55 6.929 -2.651 -5.850 1.00 0.00 O ATOM 1874 CB ASN A 55 8.433 -5.319 -5.296 1.00 0.00 C ATOM 1875 CG ASN A 55 8.606 -6.673 -4.607 1.00 0.00 C ATOM 1876 OD1 ASN A 55 8.530 -6.771 -3.399 1.00 0.00 O ATOM 1877 ND2 ASN A 55 8.848 -7.730 -5.336 1.00 0.00 N ATOM 0 H ASN A 55 6.064 -5.608 -4.638 1.00 0.00 H new ATOM 0 HA ASN A 55 8.283 -4.280 -3.399 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.840 -5.436 -6.203 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.405 -4.929 -5.599 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.973 -8.639 -4.891 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.912 -7.646 -6.351 1.00 0.00 H new ATOM 1884 N ARG A 56 8.646 -2.098 -4.595 1.00 0.00 N ATOM 1885 CA ARG A 56 8.715 -0.726 -5.183 1.00 0.00 C ATOM 1886 C ARG A 56 9.124 -0.798 -6.659 1.00 0.00 C ATOM 1887 O ARG A 56 10.130 -1.384 -7.007 1.00 0.00 O ATOM 1888 CB ARG A 56 9.766 0.089 -4.423 1.00 0.00 C ATOM 1889 CG ARG A 56 9.214 0.494 -3.057 1.00 0.00 C ATOM 1890 CD ARG A 56 10.356 1.003 -2.176 1.00 0.00 C ATOM 1891 NE ARG A 56 11.099 2.072 -2.901 1.00 0.00 N ATOM 1892 CZ ARG A 56 11.964 2.819 -2.268 1.00 0.00 C ATOM 1893 NH1 ARG A 56 12.244 2.588 -1.013 1.00 0.00 N ATOM 1894 NH2 ARG A 56 12.562 3.793 -2.898 1.00 0.00 N ATOM 0 H ARG A 56 9.348 -2.297 -3.882 1.00 0.00 H new ATOM 0 HA ARG A 56 7.734 -0.257 -5.104 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.676 -0.498 -4.299 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.035 0.977 -4.995 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.457 1.270 -3.174 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.726 -0.358 -2.583 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.961 1.391 -1.237 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.029 0.184 -1.924 1.00 0.00 H new ATOM 0 HE ARG A 56 10.932 2.221 -3.896 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.786 1.820 -0.521 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.920 3.175 -0.525 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.353 3.969 -3.881 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.238 4.379 -2.408 1.00 0.00 H new ATOM 1908 N LYS A 57 8.356 -0.193 -7.527 1.00 0.00 N ATOM 1909 CA LYS A 57 8.698 -0.215 -8.975 1.00 0.00 C ATOM 1910 C LYS A 57 10.002 0.540 -9.218 1.00 0.00 C ATOM 1911 O LYS A 57 10.674 0.960 -8.296 1.00 0.00 O ATOM 1912 CB LYS A 57 7.592 0.438 -9.778 1.00 0.00 C ATOM 1913 CG LYS A 57 7.301 1.807 -9.203 1.00 0.00 C ATOM 1914 CD LYS A 57 6.190 2.442 -10.028 1.00 0.00 C ATOM 1915 CE LYS A 57 5.967 3.899 -9.598 1.00 0.00 C ATOM 1916 NZ LYS A 57 6.790 4.790 -10.462 1.00 0.00 N ATOM 0 H LYS A 57 7.504 0.316 -7.292 1.00 0.00 H new ATOM 0 HA LYS A 57 8.815 -1.253 -9.288 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.888 0.525 -10.823 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.694 -0.179 -9.751 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.000 1.725 -8.159 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.196 2.428 -9.228 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.448 2.404 -11.086 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.267 1.875 -9.904 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.912 4.160 -9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.243 4.029 -8.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.645 5.780 -10.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.795 4.543 -10.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.506 4.670 -11.455 1.00 0.00 H new ATOM 1930 N VAL A 58 10.362 0.711 -10.458 1.00 0.00 N ATOM 1931 CA VAL A 58 11.620 1.435 -10.781 1.00 0.00 C ATOM 1932 C VAL A 58 11.648 2.756 -10.014 1.00 0.00 C ATOM 1933 O VAL A 58 10.647 3.436 -9.894 1.00 0.00 O ATOM 1934 CB VAL A 58 11.657 1.717 -12.287 1.00 0.00 C ATOM 1935 CG1 VAL A 58 12.824 2.652 -12.618 1.00 0.00 C ATOM 1936 CG2 VAL A 58 11.836 0.400 -13.045 1.00 0.00 C ATOM 0 H VAL A 58 9.836 0.378 -11.266 1.00 0.00 H new ATOM 0 HA VAL A 58 12.483 0.832 -10.498 1.00 0.00 H new ATOM 0 HB VAL A 58 10.722 2.192 -12.584 1.00 0.00 H new ATOM 0 HG11 VAL A 58 12.842 2.846 -13.690 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.700 3.592 -12.081 1.00 0.00 H new ATOM 0 HG13 VAL A 58 13.762 2.184 -12.319 1.00 0.00 H new ATOM 0 HG21 VAL A 58 11.863 0.598 -14.117 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.770 -0.071 -12.740 1.00 0.00 H new ATOM 0 HG23 VAL A 58 11.003 -0.266 -12.819 1.00 0.00 H new