USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 407 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 160:sc= 1.52 USER MOD Set 1.2: A 15 CYS SG : rot -58:sc= 0.899! USER MOD Set 1.3: A 17 THR OG1 : rot 92:sc= -3.29! USER MOD Set 1.4: A 33 CYS SG : rot -133:sc= 1.23 USER MOD Set 1.5: A 36 CYS SG : rot 146:sc= 0.187 USER MOD Set 2.1: A 20 THR OG1 : rot -123:sc= -0.546 USER MOD Set 2.2: A 34 ASN : amide:sc= -3.86! C(o=-4.4!,f=-13!) USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 14 ASN :FLIP amide:sc= -3.96! C(o=-5.9!,f=-4!) USER MOD Single : A 11 THR OG1 : rot 35:sc= 0.0383 USER MOD Single : A 18 GLN : amide:sc= -0.0476 K(o=-0.048,f=-1.9!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -3.06! C(o=-3.1!,f=-14!) USER MOD Single : A 30 GLN : amide:sc= -0.175 K(o=-0.18,f=-1.6) USER MOD Single : A 41 LYS NZ :NH3+ -156:sc= -0.18 (180deg=-1.08) USER MOD Single : A 43 HIS : no HE2:sc= -7.9! C(o=-7.9!,f=-9.4!) USER MOD Single : A 50 SER OG : rot -42:sc= 0.0738 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -141:sc= -0.143 USER MOD Single : A 57 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0828) USER MOD Single : A 58 LYS NZ :NH3+ 159:sc= -0.0409 (180deg=-0.506) USER MOD Single : A 60 ASN : amide:sc= -0.0192 K(o=-0.019,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 12.031 6.484 31.316 1.00 0.00 N ATOM 971 CA THR A 11 11.544 5.072 31.363 1.00 0.00 C ATOM 972 C THR A 11 10.054 5.064 31.715 1.00 0.00 C ATOM 973 O THR A 11 9.632 5.674 32.677 1.00 0.00 O ATOM 974 CB THR A 11 12.325 4.294 32.426 1.00 0.00 C ATOM 975 OG1 THR A 11 13.693 4.219 32.048 1.00 0.00 O ATOM 976 CG2 THR A 11 11.754 2.879 32.559 1.00 0.00 C ATOM 0 HA THR A 11 11.694 4.602 30.391 1.00 0.00 H new ATOM 0 HB THR A 11 12.238 4.808 33.383 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.952 5.046 31.590 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.314 2.331 33.317 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.706 2.936 32.852 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.836 2.362 31.603 1.00 0.00 H new ATOM 984 N CYS A 12 9.253 4.380 30.942 1.00 0.00 N ATOM 985 CA CYS A 12 7.793 4.341 31.239 1.00 0.00 C ATOM 986 C CYS A 12 7.576 3.805 32.653 1.00 0.00 C ATOM 987 O CYS A 12 7.793 2.643 32.933 1.00 0.00 O ATOM 988 CB CYS A 12 7.073 3.441 30.236 1.00 0.00 C ATOM 989 SG CYS A 12 5.298 3.787 30.307 1.00 0.00 S ATOM 0 H CYS A 12 9.545 3.849 30.122 1.00 0.00 H new ATOM 0 HA CYS A 12 7.388 5.350 31.162 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.452 3.619 29.230 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.262 2.393 30.467 1.00 0.00 H new ATOM 0 HG CYS A 12 4.732 3.378 29.210 1.00 0.00 H new ATOM 994 N THR A 13 7.137 4.651 33.539 1.00 0.00 N ATOM 995 CA THR A 13 6.899 4.220 34.943 1.00 0.00 C ATOM 996 C THR A 13 5.760 3.203 34.997 1.00 0.00 C ATOM 997 O THR A 13 5.518 2.597 36.022 1.00 0.00 O ATOM 998 CB THR A 13 6.521 5.442 35.781 1.00 0.00 C ATOM 999 OG1 THR A 13 5.339 6.027 35.252 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.661 6.461 35.736 1.00 0.00 C ATOM 0 H THR A 13 6.931 5.632 33.349 1.00 0.00 H new ATOM 0 HA THR A 13 7.806 3.759 35.335 1.00 0.00 H new ATOM 0 HB THR A 13 6.346 5.139 36.813 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.093 6.810 35.788 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.393 7.333 36.333 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.568 6.010 36.139 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.835 6.767 34.704 1.00 0.00 H new ATOM 1008 N ASN A 14 5.044 3.016 33.916 1.00 0.00 N ATOM 1009 CA ASN A 14 3.907 2.046 33.925 1.00 0.00 C ATOM 1010 C ASN A 14 4.305 0.719 33.274 1.00 0.00 C ATOM 1011 O ASN A 14 3.800 -0.319 33.653 1.00 0.00 O ATOM 1012 CB ASN A 14 2.728 2.654 33.163 1.00 0.00 C ATOM 1013 CG ASN A 14 2.108 3.765 34.011 1.00 0.00 C ATOM 1014 OD1 ASN A 14 2.668 4.083 35.147 1.00 0.00 O flip ATOM 1015 ND2 ASN A 14 1.116 4.358 33.634 1.00 0.00 N flip ATOM 0 H ASN A 14 5.198 3.493 33.028 1.00 0.00 H new ATOM 0 HA ASN A 14 3.629 1.846 34.960 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.064 3.053 32.206 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.985 1.887 32.945 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.679 4.109 32.746 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.720 5.105 34.205 1.00 0.00 H new ATOM 1022 N CYS A 15 5.174 0.723 32.292 1.00 0.00 N ATOM 1023 CA CYS A 15 5.547 -0.571 31.632 1.00 0.00 C ATOM 1024 C CYS A 15 7.046 -0.615 31.304 1.00 0.00 C ATOM 1025 O CYS A 15 7.496 -1.442 30.537 1.00 0.00 O ATOM 1026 CB CYS A 15 4.705 -0.744 30.361 1.00 0.00 C ATOM 1027 SG CYS A 15 5.366 0.280 29.026 1.00 0.00 S ATOM 0 H CYS A 15 5.637 1.553 31.922 1.00 0.00 H new ATOM 0 HA CYS A 15 5.343 -1.393 32.318 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.702 -1.791 30.058 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.670 -0.468 30.562 1.00 0.00 H new ATOM 0 HG CYS A 15 5.373 1.526 29.398 1.00 0.00 H new ATOM 1032 N PHE A 16 7.827 0.241 31.911 1.00 0.00 N ATOM 1033 CA PHE A 16 9.308 0.236 31.688 1.00 0.00 C ATOM 1034 C PHE A 16 9.680 0.384 30.207 1.00 0.00 C ATOM 1035 O PHE A 16 10.845 0.372 29.862 1.00 0.00 O ATOM 1036 CB PHE A 16 9.903 -1.068 32.227 1.00 0.00 C ATOM 1037 CG PHE A 16 9.629 -1.171 33.708 1.00 0.00 C ATOM 1038 CD1 PHE A 16 10.528 -0.618 34.628 1.00 0.00 C ATOM 1039 CD2 PHE A 16 8.473 -1.817 34.163 1.00 0.00 C ATOM 1040 CE1 PHE A 16 10.271 -0.712 36.002 1.00 0.00 C ATOM 1041 CE2 PHE A 16 8.216 -1.910 35.536 1.00 0.00 C ATOM 1042 CZ PHE A 16 9.115 -1.358 36.456 1.00 0.00 C ATOM 0 H PHE A 16 7.498 0.954 32.562 1.00 0.00 H new ATOM 0 HA PHE A 16 9.717 1.095 32.219 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.469 -1.921 31.706 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.977 -1.094 32.042 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.420 -0.119 34.278 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.779 -2.244 33.454 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.965 -0.286 36.711 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.324 -2.408 35.886 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.917 -1.430 37.515 1.00 0.00 H new ATOM 1052 N THR A 17 8.731 0.502 29.318 1.00 0.00 N ATOM 1053 CA THR A 17 9.093 0.620 27.875 1.00 0.00 C ATOM 1054 C THR A 17 10.072 1.781 27.674 1.00 0.00 C ATOM 1055 O THR A 17 9.859 2.879 28.148 1.00 0.00 O ATOM 1056 CB THR A 17 7.827 0.869 27.065 1.00 0.00 C ATOM 1057 OG1 THR A 17 7.039 -0.306 27.114 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.189 1.187 25.613 1.00 0.00 C ATOM 0 H THR A 17 7.732 0.522 29.524 1.00 0.00 H new ATOM 0 HA THR A 17 9.569 -0.302 27.542 1.00 0.00 H new ATOM 0 HB THR A 17 7.277 1.715 27.477 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.409 -0.246 27.862 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.278 1.364 25.041 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.816 2.078 25.581 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.731 0.346 25.181 1.00 0.00 H new ATOM 1066 N GLN A 18 11.154 1.529 26.980 1.00 0.00 N ATOM 1067 CA GLN A 18 12.183 2.586 26.731 1.00 0.00 C ATOM 1068 C GLN A 18 12.132 3.037 25.268 1.00 0.00 C ATOM 1069 O GLN A 18 12.805 3.972 24.880 1.00 0.00 O ATOM 1070 CB GLN A 18 13.567 2.008 27.037 1.00 0.00 C ATOM 1071 CG GLN A 18 13.716 1.817 28.548 1.00 0.00 C ATOM 1072 CD GLN A 18 14.985 1.016 28.844 1.00 0.00 C ATOM 1073 OE1 GLN A 18 15.501 0.333 27.981 1.00 0.00 O ATOM 1074 NE2 GLN A 18 15.512 1.068 30.037 1.00 0.00 N ATOM 0 H GLN A 18 11.371 0.621 26.569 1.00 0.00 H new ATOM 0 HA GLN A 18 11.984 3.445 27.372 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.696 1.055 26.524 1.00 0.00 H new ATOM 0 HB3 GLN A 18 14.343 2.677 26.666 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.762 2.787 29.044 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.845 1.297 28.946 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.079 1.641 30.761 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.357 0.536 30.245 1.00 0.00 H new ATOM 1083 N THR A 19 11.341 2.381 24.456 1.00 0.00 N ATOM 1084 CA THR A 19 11.234 2.759 23.010 1.00 0.00 C ATOM 1085 C THR A 19 9.786 3.140 22.700 1.00 0.00 C ATOM 1086 O THR A 19 8.866 2.418 23.027 1.00 0.00 O ATOM 1087 CB THR A 19 11.618 1.563 22.133 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.951 1.168 22.427 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.523 1.966 20.660 1.00 0.00 C ATOM 0 H THR A 19 10.758 1.592 24.735 1.00 0.00 H new ATOM 0 HA THR A 19 11.902 3.596 22.807 1.00 0.00 H new ATOM 0 HB THR A 19 10.940 0.733 22.332 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.196 0.402 21.867 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.796 1.118 20.032 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.502 2.273 20.432 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.203 2.795 20.465 1.00 0.00 H new ATOM 1097 N THR A 20 9.568 4.267 22.078 1.00 0.00 N ATOM 1098 CA THR A 20 8.169 4.674 21.764 1.00 0.00 C ATOM 1099 C THR A 20 8.181 5.787 20.706 1.00 0.00 C ATOM 1100 O THR A 20 9.105 6.574 20.648 1.00 0.00 O ATOM 1101 CB THR A 20 7.512 5.185 23.050 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.298 5.853 22.744 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.456 6.153 23.761 1.00 0.00 C ATOM 0 H THR A 20 10.292 4.919 21.776 1.00 0.00 H new ATOM 0 HA THR A 20 7.609 3.824 21.373 1.00 0.00 H new ATOM 0 HB THR A 20 7.301 4.336 23.700 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.329 6.766 23.099 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.985 6.515 24.675 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.385 5.639 24.009 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.672 6.997 23.106 1.00 0.00 H new ATOM 1111 N PRO A 21 7.168 5.864 19.874 1.00 0.00 N ATOM 1112 CA PRO A 21 7.088 6.913 18.813 1.00 0.00 C ATOM 1113 C PRO A 21 6.906 8.313 19.413 1.00 0.00 C ATOM 1114 O PRO A 21 7.265 9.307 18.812 1.00 0.00 O ATOM 1115 CB PRO A 21 5.862 6.500 17.986 1.00 0.00 C ATOM 1116 CG PRO A 21 5.014 5.722 18.934 1.00 0.00 C ATOM 1117 CD PRO A 21 5.991 4.974 19.837 1.00 0.00 C ATOM 0 HA PRO A 21 8.000 6.975 18.219 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.331 7.371 17.602 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.150 5.897 17.125 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.369 6.381 19.515 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.364 5.029 18.400 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.577 4.813 20.832 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.241 3.993 19.434 1.00 0.00 H new ATOM 1125 N VAL A 22 6.350 8.396 20.592 1.00 0.00 N ATOM 1126 CA VAL A 22 6.146 9.730 21.227 1.00 0.00 C ATOM 1127 C VAL A 22 5.831 9.549 22.718 1.00 0.00 C ATOM 1128 O VAL A 22 5.043 8.708 23.104 1.00 0.00 O ATOM 1129 CB VAL A 22 4.996 10.459 20.518 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.744 9.578 20.495 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.684 11.770 21.245 1.00 0.00 C ATOM 0 H VAL A 22 6.029 7.599 21.142 1.00 0.00 H new ATOM 0 HA VAL A 22 7.053 10.327 21.134 1.00 0.00 H new ATOM 0 HB VAL A 22 5.299 10.675 19.493 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.936 10.107 19.989 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.960 8.652 19.962 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.443 9.347 21.517 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.867 12.282 20.737 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.394 11.556 22.274 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.569 12.407 21.243 1.00 0.00 H new ATOM 1141 N TRP A 23 6.461 10.326 23.562 1.00 0.00 N ATOM 1142 CA TRP A 23 6.218 10.196 25.031 1.00 0.00 C ATOM 1143 C TRP A 23 4.990 11.014 25.435 1.00 0.00 C ATOM 1144 O TRP A 23 4.798 12.131 24.995 1.00 0.00 O ATOM 1145 CB TRP A 23 7.432 10.705 25.811 1.00 0.00 C ATOM 1146 CG TRP A 23 8.582 9.763 25.636 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.605 9.942 24.770 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.849 8.510 26.332 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.478 8.876 24.883 1.00 0.00 N ATOM 1150 CE2 TRP A 23 10.057 7.966 25.833 1.00 0.00 C ATOM 1151 CE3 TRP A 23 8.166 7.797 27.335 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.570 6.760 26.313 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.680 6.583 27.819 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.878 6.066 27.310 1.00 0.00 C ATOM 0 H TRP A 23 7.134 11.045 23.297 1.00 0.00 H new ATOM 0 HA TRP A 23 6.049 9.144 25.261 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.709 11.700 25.461 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.183 10.797 26.868 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.721 10.781 24.100 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.330 8.774 24.332 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.241 8.186 27.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.494 6.366 25.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 8.148 6.044 28.589 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.267 5.132 27.687 1.00 0.00 H new ATOM 1165 N ARG A 24 4.157 10.460 26.278 1.00 0.00 N ATOM 1166 CA ARG A 24 2.929 11.181 26.734 1.00 0.00 C ATOM 1167 C ARG A 24 3.168 11.742 28.139 1.00 0.00 C ATOM 1168 O ARG A 24 4.137 11.411 28.792 1.00 0.00 O ATOM 1169 CB ARG A 24 1.755 10.196 26.792 1.00 0.00 C ATOM 1170 CG ARG A 24 1.494 9.584 25.409 1.00 0.00 C ATOM 1171 CD ARG A 24 0.617 10.504 24.554 1.00 0.00 C ATOM 1172 NE ARG A 24 0.648 10.035 23.140 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.283 10.401 22.303 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.315 11.083 22.721 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -0.193 10.062 21.046 1.00 0.00 N ATOM 0 H ARG A 24 4.276 9.528 26.675 1.00 0.00 H new ATOM 0 HA ARG A 24 2.703 11.990 26.040 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.972 9.405 27.510 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.860 10.709 27.143 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.442 9.407 24.902 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.007 8.615 25.523 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.407 10.501 24.928 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.977 11.531 24.617 1.00 0.00 H new ATOM 0 HE ARG A 24 1.402 9.424 22.825 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.396 11.332 23.707 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.040 11.366 22.062 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.603 9.513 20.722 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.919 10.346 20.388 1.00 0.00 H new ATOM 1189 N ARG A 25 2.279 12.581 28.607 1.00 0.00 N ATOM 1190 CA ARG A 25 2.416 13.172 29.974 1.00 0.00 C ATOM 1191 C ARG A 25 1.134 12.858 30.755 1.00 0.00 C ATOM 1192 O ARG A 25 0.082 12.683 30.172 1.00 0.00 O ATOM 1193 CB ARG A 25 2.569 14.693 29.864 1.00 0.00 C ATOM 1194 CG ARG A 25 3.723 15.058 28.921 1.00 0.00 C ATOM 1195 CD ARG A 25 5.076 14.740 29.566 1.00 0.00 C ATOM 1196 NE ARG A 25 6.167 15.272 28.700 1.00 0.00 N ATOM 1197 CZ ARG A 25 7.379 15.382 29.169 1.00 0.00 C ATOM 1198 NH1 ARG A 25 7.649 14.981 30.380 1.00 0.00 N ATOM 1199 NH2 ARG A 25 8.323 15.885 28.421 1.00 0.00 N ATOM 0 H ARG A 25 1.452 12.886 28.093 1.00 0.00 H new ATOM 0 HA ARG A 25 3.290 12.758 30.477 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.641 15.131 29.496 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.752 15.117 30.851 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.623 14.507 27.986 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.674 16.118 28.673 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.133 15.186 30.559 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.188 13.663 29.693 1.00 0.00 H new ATOM 0 HE ARG A 25 5.965 15.550 27.740 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.912 14.581 30.961 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.597 15.067 30.746 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.112 16.191 27.471 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.271 15.972 28.786 1.00 0.00 H new ATOM 1213 N ASN A 26 1.212 12.769 32.062 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.001 12.450 32.887 1.00 0.00 C ATOM 1215 C ASN A 26 -0.260 13.597 33.885 1.00 0.00 C ATOM 1216 O ASN A 26 0.674 14.191 34.376 1.00 0.00 O ATOM 1217 CB ASN A 26 0.275 11.145 33.648 1.00 0.00 C ATOM 1218 CG ASN A 26 -0.764 10.936 34.753 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -0.884 11.746 35.650 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -1.525 9.875 34.725 1.00 0.00 N ATOM 0 H ASN A 26 2.069 12.904 32.598 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.879 12.336 32.252 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.253 10.303 32.956 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.274 11.175 34.082 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.220 9.727 35.456 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.424 9.195 33.972 1.00 0.00 H new ATOM 1227 N PRO A 27 -1.504 13.914 34.195 1.00 0.00 N ATOM 1228 CA PRO A 27 -1.839 15.003 35.168 1.00 0.00 C ATOM 1229 C PRO A 27 -0.968 14.993 36.436 1.00 0.00 C ATOM 1230 O PRO A 27 -1.044 15.894 37.247 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.299 14.716 35.537 1.00 0.00 C ATOM 1232 CG PRO A 27 -3.880 14.067 34.324 1.00 0.00 C ATOM 1233 CD PRO A 27 -2.735 13.301 33.646 1.00 0.00 C ATOM 0 HA PRO A 27 -1.666 15.984 34.725 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.366 14.061 36.406 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.831 15.634 35.788 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.690 13.391 34.597 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.300 14.813 33.649 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.782 12.235 33.871 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.778 13.400 32.561 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.141 13.995 36.610 1.00 0.00 N ATOM 1242 CA GLU A 28 0.741 13.935 37.819 1.00 0.00 C ATOM 1243 C GLU A 28 2.160 14.345 37.415 1.00 0.00 C ATOM 1244 O GLU A 28 3.025 14.547 38.245 1.00 0.00 O ATOM 1245 CB GLU A 28 0.734 12.502 38.367 1.00 0.00 C ATOM 1246 CG GLU A 28 -0.490 12.301 39.268 1.00 0.00 C ATOM 1247 CD GLU A 28 -1.767 12.550 38.463 1.00 0.00 C ATOM 1248 OE1 GLU A 28 -2.201 13.690 38.413 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -2.293 11.597 37.911 1.00 0.00 O ATOM 0 H GLU A 28 -0.036 13.213 35.964 1.00 0.00 H new ATOM 0 HA GLU A 28 0.380 14.613 38.592 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.713 11.787 37.544 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.648 12.313 38.930 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.494 11.289 39.672 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.445 12.983 40.117 1.00 0.00 H new ATOM 1256 N GLY A 29 2.395 14.463 36.138 1.00 0.00 N ATOM 1257 CA GLY A 29 3.741 14.856 35.638 1.00 0.00 C ATOM 1258 C GLY A 29 4.632 13.622 35.491 1.00 0.00 C ATOM 1259 O GLY A 29 5.819 13.732 35.256 1.00 0.00 O ATOM 0 H GLY A 29 1.700 14.301 35.409 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.646 15.362 34.677 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.200 15.565 36.327 1.00 0.00 H new ATOM 1263 N GLN A 30 4.078 12.446 35.611 1.00 0.00 N ATOM 1264 CA GLN A 30 4.907 11.216 35.461 1.00 0.00 C ATOM 1265 C GLN A 30 5.022 10.870 33.965 1.00 0.00 C ATOM 1266 O GLN A 30 4.054 10.983 33.239 1.00 0.00 O ATOM 1267 CB GLN A 30 4.234 10.061 36.205 1.00 0.00 C ATOM 1268 CG GLN A 30 3.978 10.480 37.654 1.00 0.00 C ATOM 1269 CD GLN A 30 3.232 9.365 38.390 1.00 0.00 C ATOM 1270 OE1 GLN A 30 2.264 9.619 39.077 1.00 0.00 O ATOM 1271 NE2 GLN A 30 3.647 8.133 38.274 1.00 0.00 N ATOM 0 H GLN A 30 3.090 12.284 35.806 1.00 0.00 H new ATOM 0 HA GLN A 30 5.901 11.383 35.876 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.295 9.797 35.719 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.868 9.175 36.176 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.923 10.690 38.154 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.393 11.400 37.679 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.461 7.921 37.696 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.158 7.382 38.761 1.00 0.00 H new ATOM 1280 N PRO A 31 6.175 10.454 33.491 1.00 0.00 N ATOM 1281 CA PRO A 31 6.355 10.103 32.052 1.00 0.00 C ATOM 1282 C PRO A 31 5.757 8.733 31.711 1.00 0.00 C ATOM 1283 O PRO A 31 5.858 7.791 32.470 1.00 0.00 O ATOM 1284 CB PRO A 31 7.876 10.095 31.873 1.00 0.00 C ATOM 1285 CG PRO A 31 8.412 9.708 33.214 1.00 0.00 C ATOM 1286 CD PRO A 31 7.428 10.269 34.248 1.00 0.00 C ATOM 0 HA PRO A 31 5.845 10.804 31.391 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.181 9.385 31.104 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.244 11.074 31.566 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.494 8.625 33.302 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.411 10.116 33.366 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.292 9.581 35.082 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.783 11.211 34.666 1.00 0.00 H new ATOM 1294 N LEU A 32 5.141 8.630 30.565 1.00 0.00 N ATOM 1295 CA LEU A 32 4.523 7.335 30.139 1.00 0.00 C ATOM 1296 C LEU A 32 4.783 7.120 28.647 1.00 0.00 C ATOM 1297 O LEU A 32 4.881 8.062 27.887 1.00 0.00 O ATOM 1298 CB LEU A 32 3.009 7.384 30.374 1.00 0.00 C ATOM 1299 CG LEU A 32 2.699 7.571 31.865 1.00 0.00 C ATOM 1300 CD1 LEU A 32 1.205 7.855 32.033 1.00 0.00 C ATOM 1301 CD2 LEU A 32 3.070 6.304 32.653 1.00 0.00 C ATOM 0 H LEU A 32 5.037 9.394 29.897 1.00 0.00 H new ATOM 0 HA LEU A 32 4.959 6.521 30.718 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.573 8.202 29.801 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.550 6.463 30.014 1.00 0.00 H new ATOM 0 HG LEU A 32 3.285 8.406 32.249 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.977 7.989 33.090 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.943 8.762 31.487 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.629 7.017 31.641 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.844 6.453 33.709 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.495 5.459 32.275 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.134 6.101 32.535 1.00 0.00 H new ATOM 1313 N CYS A 33 4.868 5.892 28.211 1.00 0.00 N ATOM 1314 CA CYS A 33 5.089 5.642 26.763 1.00 0.00 C ATOM 1315 C CYS A 33 3.782 5.937 26.025 1.00 0.00 C ATOM 1316 O CYS A 33 2.765 6.198 26.637 1.00 0.00 O ATOM 1317 CB CYS A 33 5.534 4.192 26.541 1.00 0.00 C ATOM 1318 SG CYS A 33 4.146 3.063 26.790 1.00 0.00 S ATOM 0 H CYS A 33 4.794 5.058 28.793 1.00 0.00 H new ATOM 0 HA CYS A 33 5.878 6.289 26.379 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.929 4.076 25.532 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.342 3.943 27.229 1.00 0.00 H new ATOM 0 HG CYS A 33 4.523 2.070 27.539 1.00 0.00 H new ATOM 1323 N ASN A 34 3.794 5.926 24.724 1.00 0.00 N ATOM 1324 CA ASN A 34 2.548 6.238 23.967 1.00 0.00 C ATOM 1325 C ASN A 34 1.431 5.240 24.290 1.00 0.00 C ATOM 1326 O ASN A 34 0.285 5.612 24.444 1.00 0.00 O ATOM 1327 CB ASN A 34 2.847 6.180 22.471 1.00 0.00 C ATOM 1328 CG ASN A 34 3.300 4.766 22.107 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.735 4.018 22.959 1.00 0.00 O ATOM 1330 ND2 ASN A 34 3.207 4.364 20.871 1.00 0.00 N ATOM 0 H ASN A 34 4.610 5.715 24.150 1.00 0.00 H new ATOM 0 HA ASN A 34 2.213 7.234 24.257 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.959 6.449 21.899 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.623 6.901 22.214 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.500 3.420 20.618 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.841 4.993 20.156 1.00 0.00 H new ATOM 1337 N ALA A 35 1.744 3.977 24.360 1.00 0.00 N ATOM 1338 CA ALA A 35 0.689 2.958 24.634 1.00 0.00 C ATOM 1339 C ALA A 35 0.011 3.195 25.989 1.00 0.00 C ATOM 1340 O ALA A 35 -1.199 3.259 26.080 1.00 0.00 O ATOM 1341 CB ALA A 35 1.331 1.572 24.630 1.00 0.00 C ATOM 0 H ALA A 35 2.686 3.604 24.239 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.073 3.036 23.859 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.570 0.818 24.829 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.783 1.383 23.656 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.099 1.525 25.402 1.00 0.00 H new ATOM 1347 N CYS A 36 0.772 3.302 27.044 1.00 0.00 N ATOM 1348 CA CYS A 36 0.159 3.505 28.392 1.00 0.00 C ATOM 1349 C CYS A 36 -0.658 4.796 28.421 1.00 0.00 C ATOM 1350 O CYS A 36 -1.772 4.820 28.896 1.00 0.00 O ATOM 1351 CB CYS A 36 1.256 3.606 29.454 1.00 0.00 C ATOM 1352 SG CYS A 36 2.068 2.005 29.677 1.00 0.00 S ATOM 0 H CYS A 36 1.791 3.258 27.033 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.491 2.655 28.599 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.990 4.355 29.157 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.826 3.938 30.399 1.00 0.00 H new ATOM 0 HG CYS A 36 3.324 2.191 29.957 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.113 5.872 27.929 1.00 0.00 N ATOM 1358 CA GLY A 37 -0.870 7.153 27.956 1.00 0.00 C ATOM 1359 C GLY A 37 -2.180 6.990 27.186 1.00 0.00 C ATOM 1360 O GLY A 37 -3.244 7.303 27.680 1.00 0.00 O ATOM 0 H GLY A 37 0.817 5.921 27.512 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.076 7.444 28.986 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.273 7.950 27.513 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.111 6.499 25.980 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.353 6.318 25.180 1.00 0.00 C ATOM 1366 C LEU A 38 -4.253 5.262 25.826 1.00 0.00 C ATOM 1367 O LEU A 38 -5.434 5.466 26.012 1.00 0.00 O ATOM 1368 CB LEU A 38 -2.975 5.835 23.775 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.282 6.951 22.977 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -1.581 6.347 21.756 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.312 7.975 22.483 1.00 0.00 C ATOM 0 H LEU A 38 -1.249 6.216 25.515 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.884 7.269 25.134 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.314 4.972 23.849 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.870 5.507 23.246 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.560 7.443 23.629 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.090 7.138 21.190 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.838 5.621 22.085 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.316 5.851 21.123 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.805 8.758 21.920 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.039 7.479 21.840 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.825 8.416 23.338 1.00 0.00 H new ATOM 1383 N PHE A 39 -3.710 4.122 26.147 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.543 3.042 26.745 1.00 0.00 C ATOM 1385 C PHE A 39 -5.014 3.410 28.155 1.00 0.00 C ATOM 1386 O PHE A 39 -6.163 3.220 28.504 1.00 0.00 O ATOM 1387 CB PHE A 39 -3.723 1.754 26.812 1.00 0.00 C ATOM 1388 CG PHE A 39 -4.579 0.669 27.413 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -4.714 0.575 28.802 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.259 -0.226 26.579 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -5.527 -0.417 29.359 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.076 -1.214 27.137 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.210 -1.311 28.526 1.00 0.00 C ATOM 0 H PHE A 39 -2.725 3.891 26.021 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.423 2.905 26.117 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.391 1.465 25.815 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.828 1.907 27.415 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.191 1.268 29.444 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.153 -0.154 25.507 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.628 -0.493 30.432 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.604 -1.903 26.495 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.840 -2.076 28.956 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.132 3.900 28.981 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.526 4.240 30.378 1.00 0.00 C ATOM 1405 C LEU A 40 -5.628 5.306 30.373 1.00 0.00 C ATOM 1406 O LEU A 40 -6.640 5.164 31.030 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.294 4.761 31.125 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.619 5.005 32.602 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -3.951 3.677 33.304 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.400 5.650 33.268 1.00 0.00 C ATOM 0 H LEU A 40 -3.155 4.080 28.750 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.911 3.351 30.877 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.480 4.041 31.041 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.949 5.687 30.666 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.485 5.662 32.682 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.180 3.867 34.353 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.813 3.216 32.822 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.095 3.005 33.235 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.614 5.831 34.321 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.542 4.983 33.181 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.175 6.596 32.776 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.438 6.374 29.646 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.474 7.446 29.610 1.00 0.00 C ATOM 1424 C LYS A 41 -7.758 6.926 28.953 1.00 0.00 C ATOM 1425 O LYS A 41 -8.852 7.203 29.402 1.00 0.00 O ATOM 1426 CB LYS A 41 -5.946 8.640 28.806 1.00 0.00 C ATOM 1427 CG LYS A 41 -6.961 9.786 28.860 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.442 10.979 28.055 1.00 0.00 C ATOM 1429 CE LYS A 41 -7.507 12.077 28.046 1.00 0.00 C ATOM 1430 NZ LYS A 41 -8.789 11.514 27.533 1.00 0.00 N ATOM 0 H LYS A 41 -4.611 6.550 29.076 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.696 7.753 30.632 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.989 8.969 29.211 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.770 8.345 27.771 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.919 9.454 28.459 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.134 10.082 29.895 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.518 11.355 28.493 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.209 10.672 27.035 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.647 12.473 29.052 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.184 12.908 27.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.374 12.281 27.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.589 10.818 26.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.300 11.050 28.311 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.634 6.201 27.873 1.00 0.00 N ATOM 1445 CA LEU A 42 -8.850 5.698 27.167 1.00 0.00 C ATOM 1446 C LEU A 42 -9.555 4.615 27.991 1.00 0.00 C ATOM 1447 O LEU A 42 -10.767 4.590 28.076 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.442 5.108 25.812 1.00 0.00 C ATOM 1449 CG LEU A 42 -7.942 6.216 24.873 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -7.292 5.566 23.647 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.105 7.113 24.417 1.00 0.00 C ATOM 0 H LEU A 42 -6.745 5.935 27.449 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.536 6.533 27.027 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.660 4.362 25.954 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.292 4.596 25.360 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.219 6.834 25.406 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.932 6.342 22.971 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.454 4.945 23.965 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.026 4.947 23.131 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.726 7.890 23.753 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.843 6.511 23.887 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.571 7.575 25.287 1.00 0.00 H new ATOM 1463 N HIS A 43 -8.826 3.701 28.577 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.491 2.617 29.360 1.00 0.00 C ATOM 1465 C HIS A 43 -9.763 3.078 30.797 1.00 0.00 C ATOM 1466 O HIS A 43 -10.814 2.808 31.344 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.595 1.374 29.355 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.605 0.762 27.977 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -7.760 1.192 26.966 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.363 -0.245 27.426 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.028 0.458 25.871 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -8.996 -0.433 26.095 1.00 0.00 N ATOM 0 H HIS A 43 -7.807 3.658 28.548 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.449 2.375 28.900 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.578 1.643 29.639 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.951 0.652 30.090 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.061 1.931 27.039 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.126 -0.805 27.946 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.521 0.576 24.925 1.00 0.00 H new ATOM 1480 N GLY A 44 -8.854 3.787 31.412 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.108 4.271 32.802 1.00 0.00 C ATOM 1482 C GLY A 44 -9.089 3.119 33.809 1.00 0.00 C ATOM 1483 O GLY A 44 -9.459 3.294 34.954 1.00 0.00 O ATOM 0 H GLY A 44 -7.952 4.051 31.016 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.352 5.007 33.076 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.074 4.775 32.842 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.684 1.941 33.410 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.672 0.793 34.369 1.00 0.00 C ATOM 1489 C VAL A 45 -7.431 -0.070 34.156 1.00 0.00 C ATOM 1490 O VAL A 45 -6.967 -0.263 33.050 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.927 -0.054 34.151 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -11.151 0.696 34.683 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -10.107 -0.308 32.652 1.00 0.00 C ATOM 0 H VAL A 45 -8.362 1.724 32.467 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.655 1.181 35.387 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.823 -1.002 34.679 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.044 0.091 34.527 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.025 0.889 35.748 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.256 1.643 34.153 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.000 -0.911 32.490 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.213 0.644 32.132 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.236 -0.838 32.266 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.892 -0.584 35.225 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.676 -1.436 35.128 1.00 0.00 C ATOM 1505 C VAL A 46 -5.892 -2.523 34.073 1.00 0.00 C ATOM 1506 O VAL A 46 -6.990 -3.008 33.881 1.00 0.00 O ATOM 1507 CB VAL A 46 -5.414 -2.084 36.488 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -5.189 -0.991 37.536 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -6.624 -2.929 36.894 1.00 0.00 C ATOM 0 H VAL A 46 -7.246 -0.448 36.172 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.820 -0.825 34.840 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.531 -2.719 36.423 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.002 -1.450 38.507 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.330 -0.384 37.250 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.075 -0.359 37.598 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.437 -3.391 37.863 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.507 -2.293 36.960 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.792 -3.706 36.148 1.00 0.00 H new ATOM 1519 N ARG A 47 -4.851 -2.906 33.385 1.00 0.00 N ATOM 1520 CA ARG A 47 -4.979 -3.959 32.337 1.00 0.00 C ATOM 1521 C ARG A 47 -3.628 -4.680 32.207 1.00 0.00 C ATOM 1522 O ARG A 47 -2.602 -4.033 32.150 1.00 0.00 O ATOM 1523 CB ARG A 47 -5.346 -3.280 31.008 1.00 0.00 C ATOM 1524 CG ARG A 47 -5.526 -4.312 29.880 1.00 0.00 C ATOM 1525 CD ARG A 47 -6.941 -4.903 29.917 1.00 0.00 C ATOM 1526 NE ARG A 47 -6.975 -6.148 29.102 1.00 0.00 N ATOM 1527 CZ ARG A 47 -7.975 -6.977 29.218 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -8.934 -6.733 30.069 1.00 0.00 N ATOM 1529 NH2 ARG A 47 -8.012 -8.056 28.486 1.00 0.00 N ATOM 0 H ARG A 47 -3.910 -2.532 33.505 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.752 -4.682 32.599 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.267 -2.710 31.131 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.566 -2.570 30.733 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.348 -3.839 28.914 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.789 -5.108 29.986 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.230 -5.120 30.945 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.659 -4.181 29.529 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.216 -6.353 28.452 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.903 -5.892 30.645 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.715 -7.383 30.158 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.260 -8.250 27.825 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.793 -8.706 28.575 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.604 -5.996 32.158 1.00 0.00 N ATOM 1544 CA PRO A 48 -2.338 -6.769 32.031 1.00 0.00 C ATOM 1545 C PRO A 48 -1.253 -6.046 31.228 1.00 0.00 C ATOM 1546 O PRO A 48 -1.222 -6.089 30.015 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.800 -8.032 31.318 1.00 0.00 C ATOM 1548 CG PRO A 48 -4.150 -8.297 31.903 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.760 -6.920 32.222 1.00 0.00 C ATOM 0 HA PRO A 48 -1.864 -6.941 32.997 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.853 -7.886 30.239 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.117 -8.863 31.494 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.777 -8.847 31.201 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.071 -8.905 32.804 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.530 -6.647 31.501 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.227 -6.908 33.207 1.00 0.00 H new ATOM 1557 N LEU A 49 -0.351 -5.401 31.913 1.00 0.00 N ATOM 1558 CA LEU A 49 0.761 -4.694 31.220 1.00 0.00 C ATOM 1559 C LEU A 49 1.569 -5.728 30.427 1.00 0.00 C ATOM 1560 O LEU A 49 2.304 -5.399 29.517 1.00 0.00 O ATOM 1561 CB LEU A 49 1.659 -4.019 32.263 1.00 0.00 C ATOM 1562 CG LEU A 49 0.854 -2.990 33.072 1.00 0.00 C ATOM 1563 CD1 LEU A 49 1.663 -2.573 34.305 1.00 0.00 C ATOM 1564 CD2 LEU A 49 0.546 -1.750 32.215 1.00 0.00 C ATOM 0 H LEU A 49 -0.337 -5.333 32.931 1.00 0.00 H new ATOM 0 HA LEU A 49 0.368 -3.933 30.545 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.079 -4.770 32.932 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.497 -3.528 31.768 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.089 -3.442 33.381 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.096 -1.843 34.882 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.862 -3.449 34.923 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.607 -2.131 33.988 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.025 -1.033 32.805 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.480 -1.291 31.890 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.036 -2.046 31.342 1.00 0.00 H new ATOM 1576 N SER A 50 1.441 -6.980 30.787 1.00 0.00 N ATOM 1577 CA SER A 50 2.199 -8.057 30.083 1.00 0.00 C ATOM 1578 C SER A 50 1.864 -8.042 28.591 1.00 0.00 C ATOM 1579 O SER A 50 2.471 -8.741 27.803 1.00 0.00 O ATOM 1580 CB SER A 50 1.822 -9.417 30.674 1.00 0.00 C ATOM 1581 OG SER A 50 2.808 -10.373 30.312 1.00 0.00 O ATOM 0 H SER A 50 0.839 -7.304 31.544 1.00 0.00 H new ATOM 0 HA SER A 50 3.267 -7.884 30.213 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.747 -9.347 31.759 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.844 -9.728 30.306 1.00 0.00 H new ATOM 0 HG SER A 50 3.056 -10.247 29.372 1.00 0.00 H new ATOM 1587 N LEU A 51 0.919 -7.238 28.190 1.00 0.00 N ATOM 1588 CA LEU A 51 0.570 -7.171 26.744 1.00 0.00 C ATOM 1589 C LEU A 51 1.673 -6.400 26.027 1.00 0.00 C ATOM 1590 O LEU A 51 2.045 -6.713 24.914 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.751 -6.426 26.568 1.00 0.00 C ATOM 1592 CG LEU A 51 -1.880 -7.175 27.291 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -3.032 -6.206 27.553 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -2.390 -8.334 26.426 1.00 0.00 C ATOM 0 H LEU A 51 0.375 -6.626 28.799 1.00 0.00 H new ATOM 0 HA LEU A 51 0.472 -8.177 26.335 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.663 -5.415 26.965 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.987 -6.333 25.508 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.498 -7.573 28.231 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.838 -6.730 28.066 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.681 -5.383 28.175 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.400 -5.813 26.605 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.190 -8.856 26.951 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.770 -7.944 25.482 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.573 -9.028 26.229 1.00 0.00 H new ATOM 1606 N LYS A 52 2.208 -5.396 26.666 1.00 0.00 N ATOM 1607 CA LYS A 52 3.302 -4.611 26.028 1.00 0.00 C ATOM 1608 C LYS A 52 4.377 -5.582 25.524 1.00 0.00 C ATOM 1609 O LYS A 52 4.428 -6.729 25.923 1.00 0.00 O ATOM 1610 CB LYS A 52 3.880 -3.624 27.055 1.00 0.00 C ATOM 1611 CG LYS A 52 5.027 -2.791 26.458 1.00 0.00 C ATOM 1612 CD LYS A 52 4.541 -1.974 25.251 1.00 0.00 C ATOM 1613 CE LYS A 52 5.537 -0.848 24.943 1.00 0.00 C ATOM 1614 NZ LYS A 52 5.360 -0.405 23.532 1.00 0.00 N ATOM 0 H LYS A 52 1.936 -5.086 27.599 1.00 0.00 H new ATOM 0 HA LYS A 52 2.924 -4.039 25.181 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.091 -2.959 27.405 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.243 -4.173 27.924 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.429 -2.121 27.218 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.840 -3.450 26.153 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.433 -2.623 24.382 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.557 -1.553 25.459 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.377 -0.010 25.622 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.558 -1.197 25.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.034 0.358 23.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.533 -1.207 22.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.389 -0.057 23.397 1.00 0.00 H new ATOM 1628 N THR A 53 5.247 -5.124 24.668 1.00 0.00 N ATOM 1629 CA THR A 53 6.339 -5.988 24.141 1.00 0.00 C ATOM 1630 C THR A 53 7.552 -5.106 23.854 1.00 0.00 C ATOM 1631 O THR A 53 7.473 -3.895 23.918 1.00 0.00 O ATOM 1632 CB THR A 53 5.878 -6.681 22.856 1.00 0.00 C ATOM 1633 OG1 THR A 53 7.013 -7.098 22.109 1.00 0.00 O ATOM 1634 CG2 THR A 53 5.032 -5.717 22.022 1.00 0.00 C ATOM 0 H THR A 53 5.247 -4.171 24.305 1.00 0.00 H new ATOM 0 HA THR A 53 6.600 -6.754 24.872 1.00 0.00 H new ATOM 0 HB THR A 53 5.275 -7.552 23.111 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.847 -6.955 21.154 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.707 -6.215 21.109 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.159 -5.408 22.597 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.626 -4.840 21.765 1.00 0.00 H new ATOM 1642 N ASP A 54 8.677 -5.690 23.549 1.00 0.00 N ATOM 1643 CA ASP A 54 9.894 -4.873 23.268 1.00 0.00 C ATOM 1644 C ASP A 54 9.978 -4.605 21.766 1.00 0.00 C ATOM 1645 O ASP A 54 10.876 -3.941 21.288 1.00 0.00 O ATOM 1646 CB ASP A 54 11.131 -5.649 23.718 1.00 0.00 C ATOM 1647 CG ASP A 54 11.164 -5.710 25.246 1.00 0.00 C ATOM 1648 OD1 ASP A 54 10.513 -4.885 25.865 1.00 0.00 O ATOM 1649 OD2 ASP A 54 11.837 -6.581 25.770 1.00 0.00 O ATOM 0 H ASP A 54 8.808 -6.699 23.482 1.00 0.00 H new ATOM 0 HA ASP A 54 9.841 -3.927 23.806 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.113 -6.657 23.303 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.033 -5.166 23.343 1.00 0.00 H new ATOM 1654 N VAL A 55 9.026 -5.109 21.028 1.00 0.00 N ATOM 1655 CA VAL A 55 8.990 -4.895 19.550 1.00 0.00 C ATOM 1656 C VAL A 55 7.713 -4.121 19.217 1.00 0.00 C ATOM 1657 O VAL A 55 6.663 -4.388 19.768 1.00 0.00 O ATOM 1658 CB VAL A 55 8.973 -6.246 18.833 1.00 0.00 C ATOM 1659 CG1 VAL A 55 8.959 -6.017 17.321 1.00 0.00 C ATOM 1660 CG2 VAL A 55 10.221 -7.042 19.216 1.00 0.00 C ATOM 0 H VAL A 55 8.257 -5.671 21.393 1.00 0.00 H new ATOM 0 HA VAL A 55 9.869 -4.338 19.226 1.00 0.00 H new ATOM 0 HB VAL A 55 8.083 -6.803 19.126 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.947 -6.978 16.807 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.070 -5.448 17.047 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.850 -5.461 17.029 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.209 -8.005 18.705 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.111 -6.486 18.922 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.233 -7.203 20.294 1.00 0.00 H new ATOM 1670 N ILE A 56 7.795 -3.155 18.340 1.00 0.00 N ATOM 1671 CA ILE A 56 6.591 -2.342 17.980 1.00 0.00 C ATOM 1672 C ILE A 56 6.202 -2.616 16.527 1.00 0.00 C ATOM 1673 O ILE A 56 7.034 -2.616 15.642 1.00 0.00 O ATOM 1674 CB ILE A 56 6.930 -0.858 18.132 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.345 -0.576 19.578 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.694 -0.019 17.793 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.974 0.814 19.657 1.00 0.00 C ATOM 0 H ILE A 56 8.651 -2.891 17.853 1.00 0.00 H new ATOM 0 HA ILE A 56 5.762 -2.608 18.636 1.00 0.00 H new ATOM 0 HB ILE A 56 7.747 -0.601 17.458 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.478 -0.634 20.236 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.055 -1.330 19.919 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.932 1.039 17.900 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.388 -0.220 16.766 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.881 -0.279 18.471 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.272 1.021 20.685 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.851 0.854 19.010 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.249 1.560 19.332 1.00 0.00 H new ATOM 1689 N LYS A 57 4.943 -2.845 16.269 1.00 0.00 N ATOM 1690 CA LYS A 57 4.509 -3.115 14.871 1.00 0.00 C ATOM 1691 C LYS A 57 4.443 -1.786 14.115 1.00 0.00 C ATOM 1692 O LYS A 57 3.777 -0.855 14.526 1.00 0.00 O ATOM 1693 CB LYS A 57 3.130 -3.779 14.904 1.00 0.00 C ATOM 1694 CG LYS A 57 2.648 -4.090 13.486 1.00 0.00 C ATOM 1695 CD LYS A 57 1.271 -4.752 13.567 1.00 0.00 C ATOM 1696 CE LYS A 57 0.767 -5.081 12.161 1.00 0.00 C ATOM 1697 NZ LYS A 57 1.513 -6.258 11.631 1.00 0.00 N ATOM 0 H LYS A 57 4.198 -2.857 16.966 1.00 0.00 H new ATOM 0 HA LYS A 57 5.212 -3.779 14.368 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.177 -4.698 15.488 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.416 -3.122 15.401 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.592 -3.174 12.897 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.355 -4.750 12.983 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.330 -5.662 14.164 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.567 -4.087 14.069 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.301 -5.295 12.186 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.905 -4.223 11.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.052 -6.599 10.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.492 -5.981 11.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.515 -7.017 12.342 1.00 0.00 H new ATOM 1711 N LYS A 58 5.148 -1.687 13.021 1.00 0.00 N ATOM 1712 CA LYS A 58 5.157 -0.418 12.240 1.00 0.00 C ATOM 1713 C LYS A 58 3.962 -0.377 11.287 1.00 0.00 C ATOM 1714 O LYS A 58 3.767 -1.264 10.480 1.00 0.00 O ATOM 1715 CB LYS A 58 6.456 -0.340 11.436 1.00 0.00 C ATOM 1716 CG LYS A 58 7.640 -0.282 12.402 1.00 0.00 C ATOM 1717 CD LYS A 58 8.949 -0.204 11.615 1.00 0.00 C ATOM 1718 CE LYS A 58 10.121 -0.147 12.597 1.00 0.00 C ATOM 1719 NZ LYS A 58 10.194 -1.427 13.358 1.00 0.00 N ATOM 0 H LYS A 58 5.722 -2.436 12.633 1.00 0.00 H new ATOM 0 HA LYS A 58 5.090 0.428 12.923 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.546 -1.208 10.782 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.450 0.542 10.796 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.546 0.586 13.055 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.642 -1.164 13.042 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.047 -1.071 10.962 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.951 0.679 10.975 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.053 0.022 12.058 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.994 0.690 13.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.151 -1.545 13.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.504 -1.408 14.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.978 -2.221 12.723 1.00 0.00 H new ATOM 1733 N ARG A 59 3.158 0.648 11.378 1.00 0.00 N ATOM 1734 CA ARG A 59 1.967 0.756 10.488 1.00 0.00 C ATOM 1735 C ARG A 59 2.339 1.597 9.266 1.00 0.00 C ATOM 1736 O ARG A 59 3.444 2.094 9.159 1.00 0.00 O ATOM 1737 CB ARG A 59 0.822 1.437 11.248 1.00 0.00 C ATOM 1738 CG ARG A 59 0.381 0.580 12.454 1.00 0.00 C ATOM 1739 CD ARG A 59 -0.841 -0.272 12.090 1.00 0.00 C ATOM 1740 NE ARG A 59 -0.701 -0.794 10.703 1.00 0.00 N ATOM 1741 CZ ARG A 59 -1.429 -1.803 10.311 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -2.286 -2.347 11.129 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -1.299 -2.267 9.099 1.00 0.00 N ATOM 0 H ARG A 59 3.276 1.419 12.035 1.00 0.00 H new ATOM 0 HA ARG A 59 1.648 -0.237 10.172 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.142 2.421 11.592 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.023 1.593 10.578 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.201 -0.066 12.768 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.142 1.226 13.299 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.939 -1.101 12.791 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.749 0.325 12.173 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.037 -0.363 10.060 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.388 -1.984 12.077 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.855 -3.136 10.821 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.629 -1.841 8.459 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.868 -3.056 8.791 1.00 0.00 H new ATOM 1757 N ASN A 60 1.447 1.730 8.324 1.00 0.00 N ATOM 1758 CA ASN A 60 1.777 2.502 7.093 1.00 0.00 C ATOM 1759 C ASN A 60 1.856 3.998 7.398 1.00 0.00 C ATOM 1760 O ASN A 60 1.767 4.429 8.531 1.00 0.00 O ATOM 1761 CB ASN A 60 0.700 2.262 6.033 1.00 0.00 C ATOM 1762 CG ASN A 60 0.801 0.828 5.510 1.00 0.00 C ATOM 1763 OD1 ASN A 60 1.854 0.223 5.561 1.00 0.00 O ATOM 1764 ND2 ASN A 60 -0.257 0.254 5.003 1.00 0.00 N ATOM 0 H ASN A 60 0.506 1.338 8.353 1.00 0.00 H new ATOM 0 HA ASN A 60 2.746 2.165 6.724 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.288 2.435 6.459 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.821 2.968 5.212 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.199 -0.701 4.650 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.141 0.761 4.960 1.00 0.00 H new