USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 416 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 CYS SG : rot 156:sc= -1.17! USER MOD Set 1.2: A 15 CYS SG : rot -59:sc= -5.29! USER MOD Set 1.3: A 17 THR OG1 : rot -160:sc= 0 USER MOD Set 1.4: A 33 CYS SG : rot -130:sc= 0.0399 USER MOD Set 1.5: A 36 CYS SG : rot 96:sc= 0.194 USER MOD Set 1.6: A 52 LYS NZ :NH3+ 167:sc= 0.836 (180deg=-0.0224) USER MOD Set 2.1: A 20 THR OG1 : rot -126:sc= 0.222 USER MOD Set 2.2: A 34 ASN : amide:sc= -2.56! C(o=-2.3!,f=-6.7!) USER MOD Single : A 10 THR OG1 : rot 39:sc= 0.0871 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -74:sc= 0.55 USER MOD Single : A 14 ASN : amide:sc= -5.24! C(o=-5.2!,f=-5.7!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.07 X(o=-1.1,f=-1.3) USER MOD Single : A 30 GLN : amide:sc= -1.12 K(o=-1.1,f=-1.7!) USER MOD Single : A 41 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.145) USER MOD Single : A 43 HIS : no HE2:sc= -6.42! C(o=-6.4!,f=-14!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.456 USER MOD Single : A 57 LYS NZ :NH3+ -114:sc= -1.45 (180deg=-3.79!) USER MOD Single : A 58 LYS NZ :NH3+ -167:sc= -0.0127 (180deg=-0.29) USER MOD Single : A 60 ASN : amide:sc= -0.969 K(o=-0.97,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 955 N THR A 10 12.798 11.791 31.602 1.00 0.00 N ATOM 956 CA THR A 10 11.367 11.468 31.331 1.00 0.00 C ATOM 957 C THR A 10 11.162 9.954 31.427 1.00 0.00 C ATOM 958 O THR A 10 11.779 9.189 30.714 1.00 0.00 O ATOM 959 CB THR A 10 11.001 11.936 29.920 1.00 0.00 C ATOM 960 OG1 THR A 10 11.177 13.343 29.829 1.00 0.00 O ATOM 961 CG2 THR A 10 9.545 11.578 29.616 1.00 0.00 C ATOM 0 HA THR A 10 10.734 11.972 32.062 1.00 0.00 H new ATOM 0 HB THR A 10 11.648 11.441 29.196 1.00 0.00 H new ATOM 0 HG1 THR A 10 11.980 13.605 30.326 1.00 0.00 H new ATOM 0 HG21 THR A 10 9.290 11.913 28.611 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.414 10.498 29.682 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.892 12.067 30.338 1.00 0.00 H new ATOM 969 N THR A 11 10.304 9.519 32.311 1.00 0.00 N ATOM 970 CA THR A 11 10.054 8.054 32.472 1.00 0.00 C ATOM 971 C THR A 11 8.560 7.812 32.699 1.00 0.00 C ATOM 972 O THR A 11 7.864 8.646 33.243 1.00 0.00 O ATOM 973 CB THR A 11 10.849 7.537 33.673 1.00 0.00 C ATOM 974 OG1 THR A 11 12.237 7.639 33.395 1.00 0.00 O ATOM 975 CG2 THR A 11 10.487 6.075 33.943 1.00 0.00 C ATOM 0 H THR A 11 9.762 10.118 32.933 1.00 0.00 H new ATOM 0 HA THR A 11 10.370 7.526 31.572 1.00 0.00 H new ATOM 0 HB THR A 11 10.606 8.134 34.552 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.749 7.310 34.163 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.056 5.711 34.799 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.421 5.998 34.156 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.726 5.473 33.066 1.00 0.00 H new ATOM 983 N CYS A 12 8.059 6.676 32.292 1.00 0.00 N ATOM 984 CA CYS A 12 6.613 6.392 32.498 1.00 0.00 C ATOM 985 C CYS A 12 6.368 6.098 33.976 1.00 0.00 C ATOM 986 O CYS A 12 6.725 5.053 34.482 1.00 0.00 O ATOM 987 CB CYS A 12 6.193 5.182 31.664 1.00 0.00 C ATOM 988 SG CYS A 12 4.399 5.230 31.445 1.00 0.00 S ATOM 0 H CYS A 12 8.587 5.937 31.828 1.00 0.00 H new ATOM 0 HA CYS A 12 6.028 7.258 32.188 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.693 5.198 30.696 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.489 4.258 32.161 1.00 0.00 H new ATOM 0 HG CYS A 12 4.074 4.557 30.381 1.00 0.00 H new ATOM 993 N THR A 13 5.738 7.005 34.662 1.00 0.00 N ATOM 994 CA THR A 13 5.457 6.787 36.105 1.00 0.00 C ATOM 995 C THR A 13 4.465 5.631 36.255 1.00 0.00 C ATOM 996 O THR A 13 4.215 5.156 37.345 1.00 0.00 O ATOM 997 CB THR A 13 4.858 8.063 36.700 1.00 0.00 C ATOM 998 OG1 THR A 13 3.678 8.401 35.986 1.00 0.00 O ATOM 999 CG2 THR A 13 5.870 9.207 36.588 1.00 0.00 C ATOM 0 H THR A 13 5.404 7.892 34.285 1.00 0.00 H new ATOM 0 HA THR A 13 6.380 6.542 36.630 1.00 0.00 H new ATOM 0 HB THR A 13 4.617 7.899 37.750 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.920 8.770 35.111 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.441 10.115 37.012 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.777 8.945 37.133 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.113 9.376 35.539 1.00 0.00 H new ATOM 1007 N ASN A 14 3.890 5.180 35.169 1.00 0.00 N ATOM 1008 CA ASN A 14 2.901 4.060 35.254 1.00 0.00 C ATOM 1009 C ASN A 14 3.574 2.716 34.958 1.00 0.00 C ATOM 1010 O ASN A 14 3.252 1.725 35.584 1.00 0.00 O ATOM 1011 CB ASN A 14 1.781 4.275 34.227 1.00 0.00 C ATOM 1012 CG ASN A 14 0.780 5.309 34.743 1.00 0.00 C ATOM 1013 OD1 ASN A 14 1.032 5.987 35.718 1.00 0.00 O ATOM 1014 ND2 ASN A 14 -0.361 5.444 34.124 1.00 0.00 N ATOM 0 H ASN A 14 4.061 5.537 34.229 1.00 0.00 H new ATOM 0 HA ASN A 14 2.494 4.048 36.265 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.205 4.610 33.281 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.271 3.331 34.031 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.046 6.122 34.459 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.568 4.872 33.305 1.00 0.00 H new ATOM 1021 N CYS A 15 4.470 2.646 33.999 1.00 0.00 N ATOM 1022 CA CYS A 15 5.104 1.325 33.672 1.00 0.00 C ATOM 1023 C CYS A 15 6.622 1.459 33.531 1.00 0.00 C ATOM 1024 O CYS A 15 7.299 0.508 33.198 1.00 0.00 O ATOM 1025 CB CYS A 15 4.496 0.772 32.378 1.00 0.00 C ATOM 1026 SG CYS A 15 5.182 1.624 30.936 1.00 0.00 S ATOM 0 H CYS A 15 4.787 3.435 33.435 1.00 0.00 H new ATOM 0 HA CYS A 15 4.907 0.633 34.491 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.695 -0.297 32.304 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.413 0.894 32.398 1.00 0.00 H new ATOM 0 HG CYS A 15 4.930 2.896 31.023 1.00 0.00 H new ATOM 1031 N PHE A 16 7.171 2.608 33.812 1.00 0.00 N ATOM 1032 CA PHE A 16 8.650 2.781 33.736 1.00 0.00 C ATOM 1033 C PHE A 16 9.208 2.405 32.359 1.00 0.00 C ATOM 1034 O PHE A 16 10.407 2.409 32.165 1.00 0.00 O ATOM 1035 CB PHE A 16 9.321 1.910 34.804 1.00 0.00 C ATOM 1036 CG PHE A 16 8.819 2.306 36.173 1.00 0.00 C ATOM 1037 CD1 PHE A 16 9.391 3.395 36.842 1.00 0.00 C ATOM 1038 CD2 PHE A 16 7.784 1.580 36.777 1.00 0.00 C ATOM 1039 CE1 PHE A 16 8.928 3.759 38.112 1.00 0.00 C ATOM 1040 CE2 PHE A 16 7.323 1.943 38.048 1.00 0.00 C ATOM 1041 CZ PHE A 16 7.894 3.033 38.716 1.00 0.00 C ATOM 0 H PHE A 16 6.655 3.442 34.093 1.00 0.00 H new ATOM 0 HA PHE A 16 8.866 3.836 33.907 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.105 0.858 34.617 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.404 2.027 34.755 1.00 0.00 H new ATOM 0 HD1 PHE A 16 10.190 3.954 36.378 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.342 0.740 36.262 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.369 4.600 38.626 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.526 1.382 38.514 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.537 3.314 39.696 1.00 0.00 H new ATOM 1051 N THR A 17 8.390 2.063 31.399 1.00 0.00 N ATOM 1052 CA THR A 17 8.965 1.681 30.076 1.00 0.00 C ATOM 1053 C THR A 17 9.711 2.880 29.484 1.00 0.00 C ATOM 1054 O THR A 17 9.205 3.984 29.446 1.00 0.00 O ATOM 1055 CB THR A 17 7.845 1.247 29.121 1.00 0.00 C ATOM 1056 OG1 THR A 17 8.424 0.641 27.974 1.00 0.00 O ATOM 1057 CG2 THR A 17 7.010 2.457 28.689 1.00 0.00 C ATOM 0 H THR A 17 7.373 2.031 31.469 1.00 0.00 H new ATOM 0 HA THR A 17 9.656 0.849 30.211 1.00 0.00 H new ATOM 0 HB THR A 17 7.195 0.538 29.634 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.777 0.649 27.238 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.220 2.131 28.012 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.565 2.924 29.567 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.650 3.178 28.180 1.00 0.00 H new ATOM 1065 N GLN A 18 10.918 2.667 29.029 1.00 0.00 N ATOM 1066 CA GLN A 18 11.721 3.783 28.447 1.00 0.00 C ATOM 1067 C GLN A 18 11.622 3.740 26.918 1.00 0.00 C ATOM 1068 O GLN A 18 12.076 4.636 26.234 1.00 0.00 O ATOM 1069 CB GLN A 18 13.186 3.618 28.874 1.00 0.00 C ATOM 1070 CG GLN A 18 13.986 4.877 28.522 1.00 0.00 C ATOM 1071 CD GLN A 18 15.415 4.734 29.049 1.00 0.00 C ATOM 1072 OE1 GLN A 18 16.152 3.871 28.616 1.00 0.00 O ATOM 1073 NE2 GLN A 18 15.839 5.543 29.982 1.00 0.00 N ATOM 0 H GLN A 18 11.385 1.760 29.036 1.00 0.00 H new ATOM 0 HA GLN A 18 11.340 4.740 28.804 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.241 3.432 29.947 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.622 2.751 28.377 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.998 5.024 27.442 1.00 0.00 H new ATOM 0 HG3 GLN A 18 13.512 5.756 28.958 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.222 6.268 30.347 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.787 5.450 30.346 1.00 0.00 H new ATOM 1082 N THR A 19 11.029 2.708 26.371 1.00 0.00 N ATOM 1083 CA THR A 19 10.903 2.608 24.882 1.00 0.00 C ATOM 1084 C THR A 19 9.486 2.999 24.452 1.00 0.00 C ATOM 1085 O THR A 19 8.525 2.341 24.796 1.00 0.00 O ATOM 1086 CB THR A 19 11.173 1.162 24.452 1.00 0.00 C ATOM 1087 OG1 THR A 19 12.485 0.788 24.849 1.00 0.00 O ATOM 1088 CG2 THR A 19 11.048 1.043 22.931 1.00 0.00 C ATOM 0 H THR A 19 10.626 1.929 26.891 1.00 0.00 H new ATOM 0 HA THR A 19 11.622 3.280 24.414 1.00 0.00 H new ATOM 0 HB THR A 19 10.445 0.503 24.926 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.658 -0.137 24.576 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.241 0.013 22.630 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.041 1.328 22.625 1.00 0.00 H new ATOM 0 HG23 THR A 19 11.773 1.703 22.454 1.00 0.00 H new ATOM 1096 N THR A 20 9.341 4.062 23.701 1.00 0.00 N ATOM 1097 CA THR A 20 7.974 4.472 23.261 1.00 0.00 C ATOM 1098 C THR A 20 8.057 5.446 22.072 1.00 0.00 C ATOM 1099 O THR A 20 8.943 6.276 22.020 1.00 0.00 O ATOM 1100 CB THR A 20 7.266 5.165 24.425 1.00 0.00 C ATOM 1101 OG1 THR A 20 5.954 5.533 24.027 1.00 0.00 O ATOM 1102 CG2 THR A 20 8.046 6.416 24.838 1.00 0.00 C ATOM 0 H THR A 20 10.102 4.658 23.377 1.00 0.00 H new ATOM 0 HA THR A 20 7.421 3.585 22.951 1.00 0.00 H new ATOM 0 HB THR A 20 7.213 4.481 25.272 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.817 6.489 24.194 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.536 6.905 25.668 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.052 6.132 25.147 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.106 7.103 23.994 1.00 0.00 H new ATOM 1110 N PRO A 21 7.134 5.379 21.133 1.00 0.00 N ATOM 1111 CA PRO A 21 7.119 6.309 19.965 1.00 0.00 C ATOM 1112 C PRO A 21 6.531 7.678 20.333 1.00 0.00 C ATOM 1113 O PRO A 21 6.714 8.653 19.629 1.00 0.00 O ATOM 1114 CB PRO A 21 6.210 5.596 18.959 1.00 0.00 C ATOM 1115 CG PRO A 21 5.241 4.836 19.807 1.00 0.00 C ATOM 1116 CD PRO A 21 6.014 4.418 21.063 1.00 0.00 C ATOM 0 HA PRO A 21 8.121 6.512 19.586 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.698 6.308 18.312 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.780 4.929 18.312 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.381 5.454 20.066 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.859 3.964 19.276 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.387 4.471 21.953 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.373 3.392 20.987 1.00 0.00 H new ATOM 1124 N LEU A 22 5.804 7.753 21.417 1.00 0.00 N ATOM 1125 CA LEU A 22 5.182 9.051 21.813 1.00 0.00 C ATOM 1126 C LEU A 22 4.949 9.089 23.328 1.00 0.00 C ATOM 1127 O LEU A 22 4.256 8.266 23.894 1.00 0.00 O ATOM 1128 CB LEU A 22 3.856 9.201 21.051 1.00 0.00 C ATOM 1129 CG LEU A 22 2.961 10.288 21.661 1.00 0.00 C ATOM 1130 CD1 LEU A 22 3.694 11.626 21.751 1.00 0.00 C ATOM 1131 CD2 LEU A 22 1.741 10.471 20.763 1.00 0.00 C ATOM 0 H LEU A 22 5.614 6.972 22.045 1.00 0.00 H new ATOM 0 HA LEU A 22 5.845 9.879 21.562 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.063 9.444 20.009 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.325 8.249 21.057 1.00 0.00 H new ATOM 0 HG LEU A 22 2.676 9.977 22.666 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.033 12.375 22.187 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.579 11.515 22.377 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.994 11.944 20.753 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.093 11.241 21.182 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.065 10.772 19.767 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.193 9.531 20.698 1.00 0.00 H new ATOM 1143 N TRP A 23 5.529 10.065 23.972 1.00 0.00 N ATOM 1144 CA TRP A 23 5.366 10.211 25.447 1.00 0.00 C ATOM 1145 C TRP A 23 4.027 10.899 25.729 1.00 0.00 C ATOM 1146 O TRP A 23 3.734 11.952 25.198 1.00 0.00 O ATOM 1147 CB TRP A 23 6.501 11.075 26.015 1.00 0.00 C ATOM 1148 CG TRP A 23 7.750 10.265 26.172 1.00 0.00 C ATOM 1149 CD1 TRP A 23 8.841 10.366 25.383 1.00 0.00 C ATOM 1150 CD2 TRP A 23 8.061 9.247 27.171 1.00 0.00 C ATOM 1151 NE1 TRP A 23 9.804 9.481 25.832 1.00 0.00 N ATOM 1152 CE2 TRP A 23 9.369 8.765 26.929 1.00 0.00 C ATOM 1153 CE3 TRP A 23 7.345 8.700 28.250 1.00 0.00 C ATOM 1154 CZ2 TRP A 23 9.946 7.776 27.729 1.00 0.00 C ATOM 1155 CZ3 TRP A 23 7.921 7.705 29.056 1.00 0.00 C ATOM 1156 CH2 TRP A 23 9.219 7.245 28.797 1.00 0.00 C ATOM 0 H TRP A 23 6.115 10.775 23.534 1.00 0.00 H new ATOM 0 HA TRP A 23 5.394 9.227 25.915 1.00 0.00 H new ATOM 0 HB2 TRP A 23 6.689 11.919 25.352 1.00 0.00 H new ATOM 0 HB3 TRP A 23 6.204 11.487 26.980 1.00 0.00 H new ATOM 0 HD1 TRP A 23 8.945 11.030 24.538 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.724 9.371 25.405 1.00 0.00 H new ATOM 0 HE3 TRP A 23 6.344 9.048 28.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 10.946 7.425 27.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.360 7.291 29.881 1.00 0.00 H new ATOM 0 HH2 TRP A 23 9.657 6.481 29.422 1.00 0.00 H new ATOM 1167 N ARG A 24 3.212 10.298 26.554 1.00 0.00 N ATOM 1168 CA ARG A 24 1.876 10.879 26.884 1.00 0.00 C ATOM 1169 C ARG A 24 1.895 11.384 28.328 1.00 0.00 C ATOM 1170 O ARG A 24 2.858 11.198 29.045 1.00 0.00 O ATOM 1171 CB ARG A 24 0.819 9.778 26.753 1.00 0.00 C ATOM 1172 CG ARG A 24 0.776 9.238 25.314 1.00 0.00 C ATOM 1173 CD ARG A 24 -0.103 10.130 24.432 1.00 0.00 C ATOM 1174 NE ARG A 24 -0.140 9.572 23.050 1.00 0.00 N ATOM 1175 CZ ARG A 24 -1.053 9.971 22.207 1.00 0.00 C ATOM 1176 NH1 ARG A 24 -1.966 10.818 22.590 1.00 0.00 N ATOM 1177 NH2 ARG A 24 -1.051 9.510 20.983 1.00 0.00 N ATOM 0 H ARG A 24 3.418 9.415 27.021 1.00 0.00 H new ATOM 0 HA ARG A 24 1.646 11.703 26.208 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.044 8.966 27.445 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.159 10.171 27.029 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.786 9.194 24.905 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.387 8.220 25.313 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.112 10.185 24.841 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.291 11.146 24.416 1.00 0.00 H new ATOM 0 HE ARG A 24 0.549 8.877 22.763 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.967 11.169 23.548 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.680 11.130 21.932 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.338 8.842 20.691 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.762 9.819 20.321 1.00 0.00 H new ATOM 1191 N ARG A 25 0.836 12.014 28.764 1.00 0.00 N ATOM 1192 CA ARG A 25 0.780 12.524 30.167 1.00 0.00 C ATOM 1193 C ARG A 25 -0.627 12.318 30.732 1.00 0.00 C ATOM 1194 O ARG A 25 -1.590 12.209 29.999 1.00 0.00 O ATOM 1195 CB ARG A 25 1.118 14.019 30.189 1.00 0.00 C ATOM 1196 CG ARG A 25 0.078 14.804 29.385 1.00 0.00 C ATOM 1197 CD ARG A 25 0.497 16.272 29.320 1.00 0.00 C ATOM 1198 NE ARG A 25 -0.493 17.038 28.514 1.00 0.00 N ATOM 1199 CZ ARG A 25 -0.514 18.340 28.578 1.00 0.00 C ATOM 1200 NH1 ARG A 25 0.313 18.966 29.370 1.00 0.00 N ATOM 1201 NH2 ARG A 25 -1.364 19.015 27.855 1.00 0.00 N ATOM 0 H ARG A 25 0.002 12.198 28.206 1.00 0.00 H new ATOM 0 HA ARG A 25 1.503 11.979 30.774 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.142 14.379 31.217 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.111 14.182 29.771 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.008 14.393 28.379 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.903 14.714 29.851 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.562 16.687 30.326 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.488 16.358 28.875 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.153 16.545 27.913 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.975 18.437 29.938 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.298 19.985 29.421 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.013 18.524 27.239 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.380 20.034 27.905 1.00 0.00 H new ATOM 1215 N ASN A 26 -0.753 12.281 32.031 1.00 0.00 N ATOM 1216 CA ASN A 26 -2.098 12.104 32.655 1.00 0.00 C ATOM 1217 C ASN A 26 -2.692 13.496 32.905 1.00 0.00 C ATOM 1218 O ASN A 26 -1.970 14.395 33.276 1.00 0.00 O ATOM 1219 CB ASN A 26 -1.942 11.384 34.003 1.00 0.00 C ATOM 1220 CG ASN A 26 -3.280 10.768 34.426 1.00 0.00 C ATOM 1221 OD1 ASN A 26 -3.846 9.965 33.713 1.00 0.00 O ATOM 1222 ND2 ASN A 26 -3.811 11.112 35.569 1.00 0.00 N ATOM 0 H ASN A 26 0.020 12.366 32.690 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.744 11.519 32.001 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.183 10.606 33.923 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.599 12.087 34.763 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.700 10.706 35.861 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.337 11.787 36.169 1.00 0.00 H new ATOM 1229 N PRO A 27 -3.977 13.697 32.735 1.00 0.00 N ATOM 1230 CA PRO A 27 -4.591 15.029 33.007 1.00 0.00 C ATOM 1231 C PRO A 27 -4.110 15.618 34.344 1.00 0.00 C ATOM 1232 O PRO A 27 -4.386 16.758 34.664 1.00 0.00 O ATOM 1233 CB PRO A 27 -6.093 14.727 33.051 1.00 0.00 C ATOM 1234 CG PRO A 27 -6.270 13.548 32.149 1.00 0.00 C ATOM 1235 CD PRO A 27 -4.983 12.722 32.265 1.00 0.00 C ATOM 0 HA PRO A 27 -4.323 15.771 32.256 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.422 14.502 34.066 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.679 15.580 32.707 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.138 12.959 32.444 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.436 13.867 31.120 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.099 11.897 32.968 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.700 12.286 31.307 1.00 0.00 H new ATOM 1243 N GLU A 28 -3.387 14.850 35.124 1.00 0.00 N ATOM 1244 CA GLU A 28 -2.873 15.347 36.438 1.00 0.00 C ATOM 1245 C GLU A 28 -1.401 15.756 36.304 1.00 0.00 C ATOM 1246 O GLU A 28 -0.768 16.145 37.266 1.00 0.00 O ATOM 1247 CB GLU A 28 -2.983 14.223 37.470 1.00 0.00 C ATOM 1248 CG GLU A 28 -4.457 13.933 37.758 1.00 0.00 C ATOM 1249 CD GLU A 28 -4.560 12.809 38.791 1.00 0.00 C ATOM 1250 OE1 GLU A 28 -3.542 12.200 39.077 1.00 0.00 O ATOM 1251 OE2 GLU A 28 -5.654 12.574 39.275 1.00 0.00 O ATOM 0 H GLU A 28 -3.129 13.888 34.902 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.460 16.210 36.752 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.491 13.324 37.098 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.472 14.508 38.389 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.950 14.831 38.131 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.969 13.646 36.840 1.00 0.00 H new ATOM 1258 N GLY A 29 -0.852 15.675 35.122 1.00 0.00 N ATOM 1259 CA GLY A 29 0.576 16.064 34.921 1.00 0.00 C ATOM 1260 C GLY A 29 1.525 14.903 35.250 1.00 0.00 C ATOM 1261 O GLY A 29 2.696 15.112 35.498 1.00 0.00 O ATOM 0 H GLY A 29 -1.333 15.354 34.282 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.727 16.378 33.888 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.814 16.920 35.552 1.00 0.00 H new ATOM 1265 N GLN A 30 1.050 13.683 35.239 1.00 0.00 N ATOM 1266 CA GLN A 30 1.951 12.521 35.531 1.00 0.00 C ATOM 1267 C GLN A 30 2.438 11.922 34.198 1.00 0.00 C ATOM 1268 O GLN A 30 1.647 11.368 33.463 1.00 0.00 O ATOM 1269 CB GLN A 30 1.169 11.451 36.299 1.00 0.00 C ATOM 1270 CG GLN A 30 0.838 11.965 37.703 1.00 0.00 C ATOM 1271 CD GLN A 30 -0.269 11.104 38.317 1.00 0.00 C ATOM 1272 OE1 GLN A 30 -1.130 11.606 39.010 1.00 0.00 O ATOM 1273 NE2 GLN A 30 -0.280 9.819 38.090 1.00 0.00 N ATOM 0 H GLN A 30 0.080 13.439 35.041 1.00 0.00 H new ATOM 0 HA GLN A 30 2.800 12.854 36.128 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.251 11.204 35.765 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.756 10.535 36.365 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.728 11.934 38.332 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.518 13.006 37.654 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.444 9.398 37.508 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.012 9.236 38.495 1.00 0.00 H new ATOM 1282 N PRO A 31 3.706 12.021 33.862 1.00 0.00 N ATOM 1283 CA PRO A 31 4.231 11.464 32.574 1.00 0.00 C ATOM 1284 C PRO A 31 3.810 10.007 32.315 1.00 0.00 C ATOM 1285 O PRO A 31 3.930 9.157 33.174 1.00 0.00 O ATOM 1286 CB PRO A 31 5.756 11.557 32.725 1.00 0.00 C ATOM 1287 CG PRO A 31 5.985 12.671 33.695 1.00 0.00 C ATOM 1288 CD PRO A 31 4.780 12.672 34.642 1.00 0.00 C ATOM 0 HA PRO A 31 3.833 12.018 31.724 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.173 10.620 33.095 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.235 11.763 31.768 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.913 12.521 34.247 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.073 13.626 33.177 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.994 12.124 35.560 1.00 0.00 H new ATOM 0 HD3 PRO A 31 4.503 13.685 34.933 1.00 0.00 H new ATOM 1296 N LEU A 32 3.358 9.721 31.116 1.00 0.00 N ATOM 1297 CA LEU A 32 2.953 8.328 30.736 1.00 0.00 C ATOM 1298 C LEU A 32 3.631 7.986 29.407 1.00 0.00 C ATOM 1299 O LEU A 32 4.012 8.872 28.669 1.00 0.00 O ATOM 1300 CB LEU A 32 1.433 8.241 30.539 1.00 0.00 C ATOM 1301 CG LEU A 32 0.690 8.608 31.825 1.00 0.00 C ATOM 1302 CD1 LEU A 32 -0.817 8.499 31.578 1.00 0.00 C ATOM 1303 CD2 LEU A 32 1.082 7.655 32.961 1.00 0.00 C ATOM 0 H LEU A 32 3.251 10.408 30.370 1.00 0.00 H new ATOM 0 HA LEU A 32 3.248 7.638 31.527 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.128 8.911 29.735 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.160 7.231 30.233 1.00 0.00 H new ATOM 0 HG LEU A 32 0.955 9.626 32.110 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.355 8.759 32.490 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.105 9.182 30.779 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.065 7.478 31.289 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.545 7.930 33.868 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.826 6.633 32.683 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.155 7.724 33.140 1.00 0.00 H new ATOM 1315 N CYS A 33 3.766 6.729 29.057 1.00 0.00 N ATOM 1316 CA CYS A 33 4.393 6.404 27.741 1.00 0.00 C ATOM 1317 C CYS A 33 3.306 6.428 26.663 1.00 0.00 C ATOM 1318 O CYS A 33 2.471 7.307 26.643 1.00 0.00 O ATOM 1319 CB CYS A 33 5.079 5.033 27.783 1.00 0.00 C ATOM 1320 SG CYS A 33 3.873 3.718 28.071 1.00 0.00 S ATOM 0 H CYS A 33 3.474 5.928 29.616 1.00 0.00 H new ATOM 0 HA CYS A 33 5.159 7.145 27.512 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.601 4.854 26.843 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.831 5.022 28.572 1.00 0.00 H new ATOM 0 HG CYS A 33 4.288 2.952 29.036 1.00 0.00 H new ATOM 1325 N ASN A 34 3.306 5.490 25.755 1.00 0.00 N ATOM 1326 CA ASN A 34 2.261 5.502 24.686 1.00 0.00 C ATOM 1327 C ASN A 34 0.952 4.856 25.162 1.00 0.00 C ATOM 1328 O ASN A 34 -0.059 5.514 25.309 1.00 0.00 O ATOM 1329 CB ASN A 34 2.782 4.751 23.460 1.00 0.00 C ATOM 1330 CG ASN A 34 3.435 3.438 23.896 1.00 0.00 C ATOM 1331 OD1 ASN A 34 2.757 2.455 24.125 1.00 0.00 O ATOM 1332 ND2 ASN A 34 4.733 3.376 24.019 1.00 0.00 N ATOM 0 H ASN A 34 3.976 4.722 25.705 1.00 0.00 H new ATOM 0 HA ASN A 34 2.050 6.541 24.434 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.962 4.549 22.770 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.504 5.367 22.925 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.177 2.504 24.307 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.303 4.200 23.827 1.00 0.00 H new ATOM 1339 N ALA A 35 0.947 3.560 25.338 1.00 0.00 N ATOM 1340 CA ALA A 35 -0.303 2.837 25.730 1.00 0.00 C ATOM 1341 C ALA A 35 -0.829 3.221 27.121 1.00 0.00 C ATOM 1342 O ALA A 35 -2.021 3.199 27.350 1.00 0.00 O ATOM 1343 CB ALA A 35 -0.030 1.333 25.688 1.00 0.00 C ATOM 0 H ALA A 35 1.766 2.963 25.226 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.077 3.126 25.019 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.932 0.791 25.972 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.264 1.045 24.679 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.773 1.089 26.384 1.00 0.00 H new ATOM 1349 N CYS A 36 0.013 3.546 28.064 1.00 0.00 N ATOM 1350 CA CYS A 36 -0.512 3.887 29.423 1.00 0.00 C ATOM 1351 C CYS A 36 -1.519 5.041 29.328 1.00 0.00 C ATOM 1352 O CYS A 36 -2.626 4.953 29.821 1.00 0.00 O ATOM 1353 CB CYS A 36 0.643 4.307 30.335 1.00 0.00 C ATOM 1354 SG CYS A 36 1.594 2.859 30.858 1.00 0.00 S ATOM 0 H CYS A 36 1.027 3.591 27.959 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.007 3.008 29.835 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.293 5.007 29.810 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.253 4.829 31.209 1.00 0.00 H new ATOM 0 HG CYS A 36 2.618 2.705 30.072 1.00 0.00 H new ATOM 1359 N GLY A 37 -1.141 6.125 28.705 1.00 0.00 N ATOM 1360 CA GLY A 37 -2.074 7.283 28.586 1.00 0.00 C ATOM 1361 C GLY A 37 -3.227 6.956 27.635 1.00 0.00 C ATOM 1362 O GLY A 37 -4.371 7.250 27.918 1.00 0.00 O ATOM 0 H GLY A 37 -0.227 6.259 28.273 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.469 7.540 29.569 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.533 8.156 28.222 1.00 0.00 H new ATOM 1366 N LEU A 38 -2.949 6.358 26.509 1.00 0.00 N ATOM 1367 CA LEU A 38 -4.047 6.031 25.555 1.00 0.00 C ATOM 1368 C LEU A 38 -4.973 4.971 26.156 1.00 0.00 C ATOM 1369 O LEU A 38 -6.177 5.048 26.035 1.00 0.00 O ATOM 1370 CB LEU A 38 -3.443 5.485 24.259 1.00 0.00 C ATOM 1371 CG LEU A 38 -2.609 6.570 23.562 1.00 0.00 C ATOM 1372 CD1 LEU A 38 -1.721 5.922 22.494 1.00 0.00 C ATOM 1373 CD2 LEU A 38 -3.527 7.601 22.888 1.00 0.00 C ATOM 0 H LEU A 38 -2.014 6.083 26.209 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.620 6.936 25.352 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.817 4.620 24.478 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.237 5.144 23.595 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.994 7.072 24.309 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.128 6.691 21.998 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.056 5.198 22.964 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.347 5.416 21.759 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.921 8.363 22.399 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.151 7.103 22.146 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.161 8.070 23.640 1.00 0.00 H new ATOM 1385 N PHE A 39 -4.426 3.982 26.806 1.00 0.00 N ATOM 1386 CA PHE A 39 -5.295 2.929 27.404 1.00 0.00 C ATOM 1387 C PHE A 39 -6.050 3.476 28.620 1.00 0.00 C ATOM 1388 O PHE A 39 -7.252 3.332 28.730 1.00 0.00 O ATOM 1389 CB PHE A 39 -4.458 1.725 27.844 1.00 0.00 C ATOM 1390 CG PHE A 39 -5.376 0.738 28.529 1.00 0.00 C ATOM 1391 CD1 PHE A 39 -5.623 0.866 29.900 1.00 0.00 C ATOM 1392 CD2 PHE A 39 -6.005 -0.274 27.796 1.00 0.00 C ATOM 1393 CE1 PHE A 39 -6.496 -0.020 30.539 1.00 0.00 C ATOM 1394 CE2 PHE A 39 -6.881 -1.159 28.435 1.00 0.00 C ATOM 1395 CZ PHE A 39 -7.127 -1.032 29.807 1.00 0.00 C ATOM 0 H PHE A 39 -3.424 3.857 26.949 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.009 2.618 26.642 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.976 1.262 26.983 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.665 2.040 28.522 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.139 1.649 30.465 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.815 -0.372 26.737 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.683 0.077 31.598 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.367 -1.940 27.869 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.803 -1.714 30.300 1.00 0.00 H new ATOM 1405 N LEU A 40 -5.355 4.071 29.549 1.00 0.00 N ATOM 1406 CA LEU A 40 -6.036 4.586 30.769 1.00 0.00 C ATOM 1407 C LEU A 40 -7.057 5.651 30.364 1.00 0.00 C ATOM 1408 O LEU A 40 -8.200 5.616 30.771 1.00 0.00 O ATOM 1409 CB LEU A 40 -4.986 5.187 31.709 1.00 0.00 C ATOM 1410 CG LEU A 40 -5.562 5.402 33.117 1.00 0.00 C ATOM 1411 CD1 LEU A 40 -5.782 4.055 33.828 1.00 0.00 C ATOM 1412 CD2 LEU A 40 -4.566 6.238 33.926 1.00 0.00 C ATOM 0 H LEU A 40 -4.347 4.223 29.516 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.554 3.776 31.282 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.121 4.526 31.764 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.635 6.138 31.307 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.522 5.913 33.037 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.190 4.231 34.823 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.481 3.449 33.251 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.831 3.529 33.914 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.959 6.401 34.930 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.615 5.710 33.990 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.415 7.199 33.435 1.00 0.00 H new ATOM 1424 N LYS A 41 -6.652 6.598 29.565 1.00 0.00 N ATOM 1425 CA LYS A 41 -7.596 7.667 29.132 1.00 0.00 C ATOM 1426 C LYS A 41 -8.785 7.046 28.393 1.00 0.00 C ATOM 1427 O LYS A 41 -9.925 7.386 28.635 1.00 0.00 O ATOM 1428 CB LYS A 41 -6.848 8.611 28.180 1.00 0.00 C ATOM 1429 CG LYS A 41 -7.754 9.746 27.687 1.00 0.00 C ATOM 1430 CD LYS A 41 -8.136 10.673 28.844 1.00 0.00 C ATOM 1431 CE LYS A 41 -8.631 12.006 28.283 1.00 0.00 C ATOM 1432 NZ LYS A 41 -9.850 11.775 27.457 1.00 0.00 N ATOM 0 H LYS A 41 -5.706 6.678 29.192 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.965 8.211 30.002 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.981 9.031 28.690 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.473 8.046 27.326 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.242 10.316 26.911 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.654 9.330 27.235 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.913 10.211 29.453 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.276 10.836 29.493 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.856 12.695 29.097 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.852 12.470 27.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.322 12.683 27.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.579 11.336 26.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.501 11.144 27.967 1.00 0.00 H new ATOM 1446 N LEU A 42 -8.522 6.169 27.466 1.00 0.00 N ATOM 1447 CA LEU A 42 -9.633 5.558 26.679 1.00 0.00 C ATOM 1448 C LEU A 42 -10.477 4.594 27.523 1.00 0.00 C ATOM 1449 O LEU A 42 -11.664 4.466 27.303 1.00 0.00 O ATOM 1450 CB LEU A 42 -9.062 4.803 25.477 1.00 0.00 C ATOM 1451 CG LEU A 42 -8.453 5.791 24.471 1.00 0.00 C ATOM 1452 CD1 LEU A 42 -7.743 4.998 23.372 1.00 0.00 C ATOM 1453 CD2 LEU A 42 -9.547 6.681 23.850 1.00 0.00 C ATOM 0 H LEU A 42 -7.586 5.848 27.218 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.280 6.370 26.346 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.302 4.096 25.810 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.849 4.222 24.996 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.742 6.437 24.987 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.306 5.688 22.650 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.955 4.388 23.814 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.462 4.352 22.867 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.094 7.373 23.141 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.274 6.056 23.332 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.048 7.245 24.637 1.00 0.00 H new ATOM 1465 N HIS A 43 -9.892 3.889 28.459 1.00 0.00 N ATOM 1466 CA HIS A 43 -10.697 2.914 29.264 1.00 0.00 C ATOM 1467 C HIS A 43 -11.202 3.562 30.559 1.00 0.00 C ATOM 1468 O HIS A 43 -12.270 3.238 31.036 1.00 0.00 O ATOM 1469 CB HIS A 43 -9.829 1.697 29.588 1.00 0.00 C ATOM 1470 CG HIS A 43 -9.400 1.051 28.300 1.00 0.00 C ATOM 1471 ND1 HIS A 43 -8.391 1.579 27.511 1.00 0.00 N ATOM 1472 CD2 HIS A 43 -9.842 -0.071 27.641 1.00 0.00 C ATOM 1473 CE1 HIS A 43 -8.262 0.786 26.431 1.00 0.00 C ATOM 1474 NE2 HIS A 43 -9.122 -0.235 26.461 1.00 0.00 N ATOM 0 H HIS A 43 -8.902 3.944 28.700 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.565 2.603 28.683 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.957 1.999 30.167 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -10.387 0.987 30.199 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.845 2.417 27.712 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.628 -0.726 27.986 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.550 0.955 25.637 1.00 0.00 H new ATOM 1482 N GLY A 44 -10.472 4.488 31.120 1.00 0.00 N ATOM 1483 CA GLY A 44 -10.950 5.160 32.366 1.00 0.00 C ATOM 1484 C GLY A 44 -11.241 4.133 33.465 1.00 0.00 C ATOM 1485 O GLY A 44 -12.281 4.170 34.094 1.00 0.00 O ATOM 0 H GLY A 44 -9.568 4.808 30.772 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.197 5.867 32.714 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.851 5.734 32.151 1.00 0.00 H new ATOM 1489 N VAL A 45 -10.338 3.219 33.709 1.00 0.00 N ATOM 1490 CA VAL A 45 -10.565 2.191 34.774 1.00 0.00 C ATOM 1491 C VAL A 45 -9.265 1.920 35.532 1.00 0.00 C ATOM 1492 O VAL A 45 -8.186 2.194 35.043 1.00 0.00 O ATOM 1493 CB VAL A 45 -11.046 0.882 34.144 1.00 0.00 C ATOM 1494 CG1 VAL A 45 -12.470 1.059 33.615 1.00 0.00 C ATOM 1495 CG2 VAL A 45 -10.114 0.486 32.993 1.00 0.00 C ATOM 0 H VAL A 45 -9.449 3.138 33.216 1.00 0.00 H new ATOM 0 HA VAL A 45 -11.320 2.571 35.463 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.036 0.096 34.899 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.810 0.125 33.167 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -13.133 1.330 34.437 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -12.483 1.848 32.863 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.461 -0.447 32.548 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.115 1.271 32.237 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.102 0.351 33.374 1.00 0.00 H new ATOM 1505 N VAL A 46 -9.371 1.423 36.740 1.00 0.00 N ATOM 1506 CA VAL A 46 -8.161 1.163 37.577 1.00 0.00 C ATOM 1507 C VAL A 46 -7.003 0.648 36.716 1.00 0.00 C ATOM 1508 O VAL A 46 -7.079 -0.368 36.056 1.00 0.00 O ATOM 1509 CB VAL A 46 -8.505 0.146 38.671 1.00 0.00 C ATOM 1510 CG1 VAL A 46 -9.411 0.807 39.713 1.00 0.00 C ATOM 1511 CG2 VAL A 46 -9.237 -1.053 38.062 1.00 0.00 C ATOM 0 H VAL A 46 -10.257 1.184 37.186 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.846 2.098 38.040 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.582 -0.195 39.141 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.657 0.085 40.492 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.894 1.658 40.157 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.328 1.149 39.233 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.477 -1.770 38.847 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.157 -0.714 37.586 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.598 -1.530 37.318 1.00 0.00 H new ATOM 1521 N ARG A 47 -5.947 1.408 36.731 1.00 0.00 N ATOM 1522 CA ARG A 47 -4.716 1.126 35.937 1.00 0.00 C ATOM 1523 C ARG A 47 -4.312 -0.359 35.935 1.00 0.00 C ATOM 1524 O ARG A 47 -3.706 -0.834 36.876 1.00 0.00 O ATOM 1525 CB ARG A 47 -3.593 1.941 36.573 1.00 0.00 C ATOM 1526 CG ARG A 47 -2.387 1.992 35.636 1.00 0.00 C ATOM 1527 CD ARG A 47 -1.251 2.777 36.302 1.00 0.00 C ATOM 1528 NE ARG A 47 -1.819 3.904 37.098 1.00 0.00 N ATOM 1529 CZ ARG A 47 -1.088 4.522 37.982 1.00 0.00 C ATOM 1530 NH1 ARG A 47 0.142 4.142 38.198 1.00 0.00 N ATOM 1531 NH2 ARG A 47 -1.594 5.516 38.659 1.00 0.00 N ATOM 0 H ARG A 47 -5.884 2.258 37.291 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.906 1.392 34.897 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.942 2.952 36.785 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.305 1.497 37.526 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.054 0.981 35.400 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.665 2.464 34.694 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.671 2.118 36.948 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.569 3.162 35.544 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.786 4.193 36.949 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.533 3.359 37.674 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.712 4.628 38.891 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.558 5.806 38.495 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.026 6.003 39.352 1.00 0.00 H new ATOM 1545 N PRO A 48 -4.584 -1.080 34.867 1.00 0.00 N ATOM 1546 CA PRO A 48 -4.180 -2.505 34.729 1.00 0.00 C ATOM 1547 C PRO A 48 -2.838 -2.611 33.994 1.00 0.00 C ATOM 1548 O PRO A 48 -2.787 -2.805 32.796 1.00 0.00 O ATOM 1549 CB PRO A 48 -5.306 -3.076 33.875 1.00 0.00 C ATOM 1550 CG PRO A 48 -5.650 -1.962 32.932 1.00 0.00 C ATOM 1551 CD PRO A 48 -5.318 -0.646 33.663 1.00 0.00 C ATOM 0 HA PRO A 48 -4.044 -3.021 35.679 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.986 -3.969 33.338 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -6.163 -3.361 34.485 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -5.078 -2.046 32.008 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -6.705 -1.998 32.659 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.711 0.013 33.042 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.222 -0.096 33.924 1.00 0.00 H new ATOM 1559 N LEU A 49 -1.755 -2.461 34.703 1.00 0.00 N ATOM 1560 CA LEU A 49 -0.410 -2.526 34.059 1.00 0.00 C ATOM 1561 C LEU A 49 -0.151 -3.924 33.486 1.00 0.00 C ATOM 1562 O LEU A 49 0.671 -4.100 32.609 1.00 0.00 O ATOM 1563 CB LEU A 49 0.662 -2.195 35.099 1.00 0.00 C ATOM 1564 CG LEU A 49 0.434 -0.785 35.662 1.00 0.00 C ATOM 1565 CD1 LEU A 49 1.469 -0.512 36.756 1.00 0.00 C ATOM 1566 CD2 LEU A 49 0.572 0.267 34.547 1.00 0.00 C ATOM 0 H LEU A 49 -1.742 -2.295 35.709 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.375 -1.804 33.243 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.634 -2.926 35.907 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.651 -2.258 34.646 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.572 -0.723 36.076 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.314 0.488 37.162 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.359 -1.248 37.553 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.472 -0.581 36.334 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.408 1.261 34.962 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.573 0.214 34.118 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.166 0.072 33.769 1.00 0.00 H new ATOM 1578 N SER A 50 -0.819 -4.923 33.993 1.00 0.00 N ATOM 1579 CA SER A 50 -0.581 -6.311 33.498 1.00 0.00 C ATOM 1580 C SER A 50 -0.723 -6.386 31.974 1.00 0.00 C ATOM 1581 O SER A 50 -0.098 -7.207 31.332 1.00 0.00 O ATOM 1582 CB SER A 50 -1.592 -7.261 34.141 1.00 0.00 C ATOM 1583 OG SER A 50 -2.905 -6.895 33.737 1.00 0.00 O ATOM 0 H SER A 50 -1.520 -4.840 34.729 1.00 0.00 H new ATOM 0 HA SER A 50 0.435 -6.600 33.768 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.382 -8.289 33.845 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.508 -7.218 35.227 1.00 0.00 H new ATOM 0 HG SER A 50 -3.555 -7.504 34.147 1.00 0.00 H new ATOM 1589 N LEU A 51 -1.543 -5.563 31.382 1.00 0.00 N ATOM 1590 CA LEU A 51 -1.709 -5.637 29.900 1.00 0.00 C ATOM 1591 C LEU A 51 -0.514 -4.973 29.213 1.00 0.00 C ATOM 1592 O LEU A 51 -0.230 -5.235 28.061 1.00 0.00 O ATOM 1593 CB LEU A 51 -2.992 -4.914 29.485 1.00 0.00 C ATOM 1594 CG LEU A 51 -4.209 -5.552 30.164 1.00 0.00 C ATOM 1595 CD1 LEU A 51 -5.469 -4.794 29.738 1.00 0.00 C ATOM 1596 CD2 LEU A 51 -4.336 -7.029 29.757 1.00 0.00 C ATOM 0 H LEU A 51 -2.100 -4.850 31.852 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.768 -6.684 29.602 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.927 -3.860 29.756 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.107 -4.958 28.402 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.087 -5.498 31.246 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.341 -5.240 30.216 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.385 -3.750 30.039 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.580 -4.851 28.655 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.205 -7.468 30.247 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.455 -7.100 28.676 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.438 -7.568 30.059 1.00 0.00 H new ATOM 1608 N LYS A 52 0.190 -4.116 29.900 1.00 0.00 N ATOM 1609 CA LYS A 52 1.360 -3.446 29.266 1.00 0.00 C ATOM 1610 C LYS A 52 2.374 -4.502 28.812 1.00 0.00 C ATOM 1611 O LYS A 52 2.427 -5.595 29.342 1.00 0.00 O ATOM 1612 CB LYS A 52 2.010 -2.490 30.276 1.00 0.00 C ATOM 1613 CG LYS A 52 3.234 -1.783 29.669 1.00 0.00 C ATOM 1614 CD LYS A 52 2.843 -0.955 28.435 1.00 0.00 C ATOM 1615 CE LYS A 52 4.008 -0.042 28.045 1.00 0.00 C ATOM 1616 NZ LYS A 52 5.296 -0.771 28.234 1.00 0.00 N ATOM 0 H LYS A 52 0.007 -3.852 30.868 1.00 0.00 H new ATOM 0 HA LYS A 52 1.029 -2.877 28.397 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.281 -1.747 30.598 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.312 -3.046 31.164 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.690 -1.133 30.416 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.984 -2.523 29.391 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.591 -1.615 27.605 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.956 -0.359 28.649 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.905 0.273 27.007 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.996 0.861 28.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.064 -0.245 27.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.500 -0.857 29.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.223 -1.720 27.814 1.00 0.00 H new ATOM 1630 N THR A 53 3.205 -4.169 27.858 1.00 0.00 N ATOM 1631 CA THR A 53 4.249 -5.124 27.386 1.00 0.00 C ATOM 1632 C THR A 53 5.529 -4.350 27.083 1.00 0.00 C ATOM 1633 O THR A 53 5.498 -3.192 26.714 1.00 0.00 O ATOM 1634 CB THR A 53 3.790 -5.855 26.125 1.00 0.00 C ATOM 1635 OG1 THR A 53 4.914 -6.450 25.493 1.00 0.00 O ATOM 1636 CG2 THR A 53 3.118 -4.876 25.158 1.00 0.00 C ATOM 0 H THR A 53 3.204 -3.267 27.382 1.00 0.00 H new ATOM 0 HA THR A 53 4.428 -5.863 28.167 1.00 0.00 H new ATOM 0 HB THR A 53 3.070 -6.625 26.402 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.623 -6.921 24.684 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.796 -5.411 24.264 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.252 -4.423 25.642 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.827 -4.096 24.879 1.00 0.00 H new ATOM 1644 N ASP A 54 6.653 -4.982 27.251 1.00 0.00 N ATOM 1645 CA ASP A 54 7.954 -4.294 26.993 1.00 0.00 C ATOM 1646 C ASP A 54 8.349 -4.487 25.530 1.00 0.00 C ATOM 1647 O ASP A 54 9.322 -3.930 25.062 1.00 0.00 O ATOM 1648 CB ASP A 54 9.029 -4.916 27.886 1.00 0.00 C ATOM 1649 CG ASP A 54 8.697 -4.647 29.355 1.00 0.00 C ATOM 1650 OD1 ASP A 54 8.115 -3.611 29.632 1.00 0.00 O ATOM 1651 OD2 ASP A 54 9.031 -5.482 30.179 1.00 0.00 O ATOM 0 H ASP A 54 6.732 -5.952 27.558 1.00 0.00 H new ATOM 0 HA ASP A 54 7.857 -3.230 27.209 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.088 -5.990 27.707 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.005 -4.498 27.641 1.00 0.00 H new ATOM 1656 N VAL A 55 7.592 -5.270 24.806 1.00 0.00 N ATOM 1657 CA VAL A 55 7.900 -5.512 23.365 1.00 0.00 C ATOM 1658 C VAL A 55 6.833 -4.825 22.516 1.00 0.00 C ATOM 1659 O VAL A 55 5.650 -4.987 22.746 1.00 0.00 O ATOM 1660 CB VAL A 55 7.875 -7.016 23.085 1.00 0.00 C ATOM 1661 CG1 VAL A 55 8.224 -7.270 21.617 1.00 0.00 C ATOM 1662 CG2 VAL A 55 8.896 -7.716 23.984 1.00 0.00 C ATOM 0 H VAL A 55 6.766 -5.756 25.155 1.00 0.00 H new ATOM 0 HA VAL A 55 8.886 -5.115 23.123 1.00 0.00 H new ATOM 0 HB VAL A 55 6.879 -7.409 23.291 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.206 -8.342 21.419 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.496 -6.770 20.978 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.219 -6.879 21.407 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.880 -8.788 23.787 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.892 -7.324 23.778 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.644 -7.536 25.029 1.00 0.00 H new ATOM 1672 N ILE A 56 7.242 -4.053 21.543 1.00 0.00 N ATOM 1673 CA ILE A 56 6.267 -3.335 20.668 1.00 0.00 C ATOM 1674 C ILE A 56 6.501 -3.720 19.208 1.00 0.00 C ATOM 1675 O ILE A 56 7.619 -3.770 18.734 1.00 0.00 O ATOM 1676 CB ILE A 56 6.445 -1.828 20.848 1.00 0.00 C ATOM 1677 CG1 ILE A 56 6.185 -1.474 22.314 1.00 0.00 C ATOM 1678 CG2 ILE A 56 5.451 -1.083 19.955 1.00 0.00 C ATOM 1679 CD1 ILE A 56 6.595 -0.025 22.578 1.00 0.00 C ATOM 0 H ILE A 56 8.222 -3.887 21.315 1.00 0.00 H new ATOM 0 HA ILE A 56 5.251 -3.614 20.946 1.00 0.00 H new ATOM 0 HB ILE A 56 7.458 -1.538 20.570 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.130 -1.611 22.549 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.746 -2.145 22.965 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.580 -0.008 20.085 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.630 -1.346 18.913 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.434 -1.363 20.230 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.408 0.221 23.623 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.656 0.098 22.361 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.014 0.640 21.939 1.00 0.00 H new ATOM 1691 N LYS A 57 5.443 -3.991 18.495 1.00 0.00 N ATOM 1692 CA LYS A 57 5.576 -4.372 17.063 1.00 0.00 C ATOM 1693 C LYS A 57 5.733 -3.105 16.219 1.00 0.00 C ATOM 1694 O LYS A 57 4.996 -2.150 16.372 1.00 0.00 O ATOM 1695 CB LYS A 57 4.320 -5.134 16.630 1.00 0.00 C ATOM 1696 CG LYS A 57 4.537 -5.739 15.243 1.00 0.00 C ATOM 1697 CD LYS A 57 3.220 -6.330 14.732 1.00 0.00 C ATOM 1698 CE LYS A 57 2.745 -7.453 15.664 1.00 0.00 C ATOM 1699 NZ LYS A 57 1.963 -6.869 16.791 1.00 0.00 N ATOM 0 H LYS A 57 4.486 -3.964 18.847 1.00 0.00 H new ATOM 0 HA LYS A 57 6.451 -5.008 16.924 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.094 -5.921 17.349 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.462 -4.461 16.614 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.897 -4.975 14.554 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.302 -6.514 15.288 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.461 -5.550 14.675 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.355 -6.718 13.722 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.130 -8.163 15.111 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.601 -8.006 16.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.476 -7.018 17.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.833 -5.849 16.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.033 -7.332 16.845 1.00 0.00 H new ATOM 1713 N LYS A 58 6.689 -3.087 15.331 1.00 0.00 N ATOM 1714 CA LYS A 58 6.898 -1.881 14.476 1.00 0.00 C ATOM 1715 C LYS A 58 5.934 -1.940 13.283 1.00 0.00 C ATOM 1716 O LYS A 58 5.835 -2.946 12.609 1.00 0.00 O ATOM 1717 CB LYS A 58 8.345 -1.864 13.967 1.00 0.00 C ATOM 1718 CG LYS A 58 9.330 -2.010 15.137 1.00 0.00 C ATOM 1719 CD LYS A 58 9.369 -0.727 15.973 1.00 0.00 C ATOM 1720 CE LYS A 58 10.506 -0.822 16.994 1.00 0.00 C ATOM 1721 NZ LYS A 58 10.237 -1.948 17.933 1.00 0.00 N ATOM 0 H LYS A 58 7.336 -3.856 15.159 1.00 0.00 H new ATOM 0 HA LYS A 58 6.708 -0.978 15.056 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.495 -2.675 13.254 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.539 -0.932 13.435 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.035 -2.851 15.765 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.326 -2.232 14.755 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.517 0.138 15.326 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.417 -0.583 16.484 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.456 -0.979 16.483 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.592 0.114 17.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.879 -1.881 18.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.252 -1.897 18.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.392 -2.853 17.444 1.00 0.00 H new ATOM 1735 N ARG A 59 5.213 -0.877 13.022 1.00 0.00 N ATOM 1736 CA ARG A 59 4.244 -0.878 11.882 1.00 0.00 C ATOM 1737 C ARG A 59 4.880 -0.202 10.665 1.00 0.00 C ATOM 1738 O ARG A 59 5.971 0.328 10.733 1.00 0.00 O ATOM 1739 CB ARG A 59 2.992 -0.092 12.275 1.00 0.00 C ATOM 1740 CG ARG A 59 2.403 -0.629 13.586 1.00 0.00 C ATOM 1741 CD ARG A 59 1.779 -2.015 13.376 1.00 0.00 C ATOM 1742 NE ARG A 59 0.898 -2.007 12.165 1.00 0.00 N ATOM 1743 CZ ARG A 59 -0.096 -1.168 12.046 1.00 0.00 C ATOM 1744 NH1 ARG A 59 -0.466 -0.435 13.059 1.00 0.00 N ATOM 1745 NH2 ARG A 59 -0.760 -1.103 10.924 1.00 0.00 N ATOM 0 H ARG A 59 5.254 -0.006 13.551 1.00 0.00 H new ATOM 0 HA ARG A 59 3.980 -1.908 11.641 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.240 0.964 12.387 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.249 -0.162 11.481 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.184 -0.688 14.344 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.648 0.062 13.960 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.564 -2.762 13.258 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.199 -2.298 14.255 1.00 0.00 H new ATOM 0 HE ARG A 59 1.079 -2.673 11.414 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.022 -0.515 13.951 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.243 0.218 12.959 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.502 -1.706 10.143 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.537 -0.449 10.828 1.00 0.00 H new ATOM 1759 N ASN A 60 4.223 -0.263 9.538 1.00 0.00 N ATOM 1760 CA ASN A 60 4.798 0.325 8.293 1.00 0.00 C ATOM 1761 C ASN A 60 4.857 1.855 8.379 1.00 0.00 C ATOM 1762 O ASN A 60 4.359 2.464 9.305 1.00 0.00 O ATOM 1763 CB ASN A 60 3.934 -0.091 7.100 1.00 0.00 C ATOM 1764 CG ASN A 60 2.502 0.411 7.298 1.00 0.00 C ATOM 1765 OD1 ASN A 60 2.244 1.228 8.160 1.00 0.00 O ATOM 1766 ND2 ASN A 60 1.549 -0.053 6.534 1.00 0.00 N ATOM 0 H ASN A 60 3.307 -0.698 9.425 1.00 0.00 H new ATOM 0 HA ASN A 60 5.816 -0.045 8.169 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.349 0.318 6.179 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.938 -1.176 6.997 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.590 0.271 6.661 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.764 -0.739 5.810 1.00 0.00 H new