USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=13 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 157:sc= 1.99 USER MOD Set 1.2: A 15 CYS SG : rot -58:sc= 0.0767 USER MOD Set 1.3: A 17 THR OG1 : rot 89:sc= -1.67! USER MOD Set 1.4: A 33 CYS SG : rot -135:sc= 1.14 USER MOD Set 1.5: A 36 CYS SG : rot 148:sc= 0.236 USER MOD Set 2.1: A 20 THR OG1 : rot -121:sc= 0.162 USER MOD Set 2.2: A 34 ASN : amide:sc= -11.2! K(o=-11!,f=-2.1) USER MOD Single : A 11 THR OG1 : rot 35:sc= 0.0962 USER MOD Single : A 13 THR OG1 : rot -83:sc= 0.163 USER MOD Single : A 14 ASN : amide:sc= -2.98! K(o=-3!,f=-2) USER MOD Single : A 18 GLN : amide:sc= -3.48! C(o=-3.5!,f=-5.6!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.2) USER MOD Single : A 30 GLN : amide:sc=-0.000967 K(o=-0.00097,f=-1.8!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -15.9! C(o=-16!,f=-23!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 143:sc= 2.25 (180deg=0.529) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0601 K(o=-0.06,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 12.120 7.152 31.155 1.00 0.00 N ATOM 971 CA THR A 11 11.695 5.726 31.297 1.00 0.00 C ATOM 972 C THR A 11 10.208 5.696 31.659 1.00 0.00 C ATOM 973 O THR A 11 9.749 6.459 32.486 1.00 0.00 O ATOM 974 CB THR A 11 12.522 5.066 32.407 1.00 0.00 C ATOM 975 OG1 THR A 11 13.896 5.097 32.046 1.00 0.00 O ATOM 976 CG2 THR A 11 12.084 3.612 32.605 1.00 0.00 C ATOM 0 HA THR A 11 11.854 5.183 30.365 1.00 0.00 H new ATOM 0 HB THR A 11 12.367 5.611 33.338 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.087 5.925 31.558 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.680 3.157 33.396 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.030 3.584 32.883 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.229 3.059 31.677 1.00 0.00 H new ATOM 984 N CYS A 12 9.444 4.836 31.040 1.00 0.00 N ATOM 985 CA CYS A 12 7.986 4.788 31.351 1.00 0.00 C ATOM 986 C CYS A 12 7.783 4.322 32.792 1.00 0.00 C ATOM 987 O CYS A 12 8.020 3.179 33.129 1.00 0.00 O ATOM 988 CB CYS A 12 7.275 3.833 30.395 1.00 0.00 C ATOM 989 SG CYS A 12 5.497 4.172 30.446 1.00 0.00 S ATOM 0 H CYS A 12 9.763 4.169 30.337 1.00 0.00 H new ATOM 0 HA CYS A 12 7.565 5.786 31.230 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.655 3.962 29.381 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.470 2.799 30.680 1.00 0.00 H new ATOM 0 HG CYS A 12 4.944 3.755 29.346 1.00 0.00 H new ATOM 994 N THR A 13 7.335 5.206 33.639 1.00 0.00 N ATOM 995 CA THR A 13 7.112 4.839 35.065 1.00 0.00 C ATOM 996 C THR A 13 6.006 3.790 35.174 1.00 0.00 C ATOM 997 O THR A 13 5.810 3.207 36.221 1.00 0.00 O ATOM 998 CB THR A 13 6.708 6.084 35.858 1.00 0.00 C ATOM 999 OG1 THR A 13 5.594 6.704 35.231 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.880 7.066 35.909 1.00 0.00 C ATOM 0 H THR A 13 7.112 6.173 33.403 1.00 0.00 H new ATOM 0 HA THR A 13 8.036 4.427 35.471 1.00 0.00 H new ATOM 0 HB THR A 13 6.438 5.794 36.873 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.907 7.273 34.497 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.589 7.951 36.474 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.733 6.590 36.394 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.155 7.357 34.895 1.00 0.00 H new ATOM 1008 N ASN A 14 5.281 3.537 34.113 1.00 0.00 N ATOM 1009 CA ASN A 14 4.189 2.517 34.175 1.00 0.00 C ATOM 1010 C ASN A 14 4.658 1.202 33.543 1.00 0.00 C ATOM 1011 O ASN A 14 4.268 0.142 33.983 1.00 0.00 O ATOM 1012 CB ASN A 14 2.958 3.031 33.414 1.00 0.00 C ATOM 1013 CG ASN A 14 2.172 4.016 34.286 1.00 0.00 C ATOM 1014 OD1 ASN A 14 1.124 4.489 33.890 1.00 0.00 O ATOM 1015 ND2 ASN A 14 2.631 4.350 35.462 1.00 0.00 N ATOM 0 H ASN A 14 5.398 3.992 33.208 1.00 0.00 H new ATOM 0 HA ASN A 14 3.931 2.342 35.220 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.270 3.519 32.491 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.320 2.194 33.132 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.111 5.006 36.045 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.510 3.955 35.797 1.00 0.00 H new ATOM 1022 N CYS A 15 5.470 1.244 32.511 1.00 0.00 N ATOM 1023 CA CYS A 15 5.918 -0.036 31.868 1.00 0.00 C ATOM 1024 C CYS A 15 7.396 0.046 31.469 1.00 0.00 C ATOM 1025 O CYS A 15 7.865 -0.710 30.642 1.00 0.00 O ATOM 1026 CB CYS A 15 5.052 -0.318 30.633 1.00 0.00 C ATOM 1027 SG CYS A 15 5.630 0.648 29.214 1.00 0.00 S ATOM 0 H CYS A 15 5.838 2.097 32.090 1.00 0.00 H new ATOM 0 HA CYS A 15 5.804 -0.849 32.585 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.085 -1.381 30.394 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.012 -0.072 30.848 1.00 0.00 H new ATOM 0 HG CYS A 15 5.608 1.913 29.512 1.00 0.00 H new ATOM 1032 N PHE A 16 8.128 0.949 32.055 1.00 0.00 N ATOM 1033 CA PHE A 16 9.583 1.094 31.752 1.00 0.00 C ATOM 1034 C PHE A 16 9.895 1.087 30.249 1.00 0.00 C ATOM 1035 O PHE A 16 11.047 1.067 29.866 1.00 0.00 O ATOM 1036 CB PHE A 16 10.386 -0.007 32.454 1.00 0.00 C ATOM 1037 CG PHE A 16 10.121 -1.354 31.826 1.00 0.00 C ATOM 1038 CD1 PHE A 16 10.902 -1.781 30.746 1.00 0.00 C ATOM 1039 CD2 PHE A 16 9.120 -2.188 32.340 1.00 0.00 C ATOM 1040 CE1 PHE A 16 10.680 -3.041 30.175 1.00 0.00 C ATOM 1041 CE2 PHE A 16 8.895 -3.445 31.766 1.00 0.00 C ATOM 1042 CZ PHE A 16 9.675 -3.872 30.685 1.00 0.00 C ATOM 0 H PHE A 16 7.773 1.609 32.747 1.00 0.00 H new ATOM 0 HA PHE A 16 9.878 2.072 32.132 1.00 0.00 H new ATOM 0 HB2 PHE A 16 11.450 0.222 32.397 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.122 -0.036 33.511 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.676 -1.139 30.353 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.522 -1.862 33.178 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.283 -3.371 29.342 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.119 -4.086 32.158 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.502 -4.843 30.244 1.00 0.00 H new ATOM 1052 N THR A 17 8.919 1.094 29.383 1.00 0.00 N ATOM 1053 CA THR A 17 9.247 1.074 27.925 1.00 0.00 C ATOM 1054 C THR A 17 10.164 2.254 27.587 1.00 0.00 C ATOM 1055 O THR A 17 9.890 3.384 27.932 1.00 0.00 O ATOM 1056 CB THR A 17 7.956 1.188 27.103 1.00 0.00 C ATOM 1057 OG1 THR A 17 7.233 -0.029 27.183 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.288 1.483 25.638 1.00 0.00 C ATOM 0 H THR A 17 7.925 1.112 29.613 1.00 0.00 H new ATOM 0 HA THR A 17 9.751 0.138 27.686 1.00 0.00 H new ATOM 0 HB THR A 17 7.353 2.002 27.505 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.627 0.000 27.953 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.364 1.562 25.064 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.838 2.422 25.571 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.899 0.676 25.234 1.00 0.00 H new ATOM 1066 N GLN A 18 11.253 1.990 26.904 1.00 0.00 N ATOM 1067 CA GLN A 18 12.203 3.081 26.522 1.00 0.00 C ATOM 1068 C GLN A 18 12.016 3.438 25.044 1.00 0.00 C ATOM 1069 O GLN A 18 12.460 4.472 24.586 1.00 0.00 O ATOM 1070 CB GLN A 18 13.645 2.611 26.753 1.00 0.00 C ATOM 1071 CG GLN A 18 13.900 1.283 26.026 1.00 0.00 C ATOM 1072 CD GLN A 18 13.343 0.119 26.851 1.00 0.00 C ATOM 1073 OE1 GLN A 18 13.213 0.219 28.054 1.00 0.00 O ATOM 1074 NE2 GLN A 18 13.005 -0.987 26.248 1.00 0.00 N ATOM 0 H GLN A 18 11.525 1.058 26.593 1.00 0.00 H new ATOM 0 HA GLN A 18 12.003 3.960 27.134 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.342 3.368 26.395 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.827 2.489 27.821 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.429 1.301 25.043 1.00 0.00 H new ATOM 0 HG3 GLN A 18 14.969 1.147 25.865 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.114 -1.071 25.237 1.00 0.00 H new ATOM 0 HE22 GLN A 18 12.631 -1.768 26.787 1.00 0.00 H new ATOM 1083 N THR A 19 11.368 2.583 24.293 1.00 0.00 N ATOM 1084 CA THR A 19 11.152 2.854 22.838 1.00 0.00 C ATOM 1085 C THR A 19 9.702 3.290 22.617 1.00 0.00 C ATOM 1086 O THR A 19 8.777 2.588 22.974 1.00 0.00 O ATOM 1087 CB THR A 19 11.416 1.570 22.045 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.659 1.014 22.448 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.463 1.890 20.550 1.00 0.00 C ATOM 0 H THR A 19 10.977 1.703 24.628 1.00 0.00 H new ATOM 0 HA THR A 19 11.828 3.641 22.505 1.00 0.00 H new ATOM 0 HB THR A 19 10.616 0.855 22.237 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.829 0.192 21.943 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.651 0.975 19.988 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.510 2.318 20.239 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.262 2.606 20.356 1.00 0.00 H new ATOM 1097 N THR A 20 9.486 4.438 22.032 1.00 0.00 N ATOM 1098 CA THR A 20 8.084 4.887 21.801 1.00 0.00 C ATOM 1099 C THR A 20 8.055 6.021 20.763 1.00 0.00 C ATOM 1100 O THR A 20 8.938 6.857 20.739 1.00 0.00 O ATOM 1101 CB THR A 20 7.494 5.397 23.121 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.154 5.818 22.910 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.320 6.579 23.635 1.00 0.00 C ATOM 0 H THR A 20 10.211 5.077 21.708 1.00 0.00 H new ATOM 0 HA THR A 20 7.497 4.047 21.429 1.00 0.00 H new ATOM 0 HB THR A 20 7.515 4.593 23.857 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.065 6.762 23.156 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.897 6.938 24.573 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.349 6.259 23.800 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.303 7.382 22.898 1.00 0.00 H new ATOM 1111 N PRO A 21 7.047 6.072 19.922 1.00 0.00 N ATOM 1112 CA PRO A 21 6.918 7.144 18.892 1.00 0.00 C ATOM 1113 C PRO A 21 6.621 8.497 19.540 1.00 0.00 C ATOM 1114 O PRO A 21 6.800 9.539 18.940 1.00 0.00 O ATOM 1115 CB PRO A 21 5.742 6.682 18.020 1.00 0.00 C ATOM 1116 CG PRO A 21 4.926 5.808 18.914 1.00 0.00 C ATOM 1117 CD PRO A 21 5.922 5.123 19.849 1.00 0.00 C ATOM 0 HA PRO A 21 7.835 7.285 18.319 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.161 7.530 17.658 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.090 6.136 17.143 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.200 6.394 19.478 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.364 5.074 18.336 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.488 4.941 20.832 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.239 4.157 19.457 1.00 0.00 H new ATOM 1125 N VAL A 22 6.161 8.487 20.760 1.00 0.00 N ATOM 1126 CA VAL A 22 5.846 9.774 21.437 1.00 0.00 C ATOM 1127 C VAL A 22 5.666 9.552 22.941 1.00 0.00 C ATOM 1128 O VAL A 22 5.124 8.559 23.384 1.00 0.00 O ATOM 1129 CB VAL A 22 4.568 10.358 20.835 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.407 9.382 21.034 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.247 11.688 21.519 1.00 0.00 C ATOM 0 H VAL A 22 5.991 7.648 21.314 1.00 0.00 H new ATOM 0 HA VAL A 22 6.670 10.472 21.289 1.00 0.00 H new ATOM 0 HB VAL A 22 4.714 10.524 19.768 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.499 9.804 20.603 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.637 8.437 20.542 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.256 9.209 22.099 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.336 12.107 21.091 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.104 11.523 22.587 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.072 12.384 21.367 1.00 0.00 H new ATOM 1141 N TRP A 23 6.143 10.486 23.722 1.00 0.00 N ATOM 1142 CA TRP A 23 6.043 10.372 25.207 1.00 0.00 C ATOM 1143 C TRP A 23 4.760 11.034 25.718 1.00 0.00 C ATOM 1144 O TRP A 23 4.452 12.163 25.395 1.00 0.00 O ATOM 1145 CB TRP A 23 7.259 11.049 25.845 1.00 0.00 C ATOM 1146 CG TRP A 23 8.465 10.192 25.628 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.457 10.446 24.745 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.812 8.939 26.283 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.394 9.431 24.821 1.00 0.00 N ATOM 1150 CE2 TRP A 23 10.040 8.477 25.753 1.00 0.00 C ATOM 1151 CE3 TRP A 23 8.185 8.167 27.276 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.624 7.288 26.195 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.768 6.973 27.722 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.984 6.533 27.183 1.00 0.00 C ATOM 0 H TRP A 23 6.603 11.333 23.389 1.00 0.00 H new ATOM 0 HA TRP A 23 6.017 9.317 25.478 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.414 12.035 25.406 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.090 11.198 26.912 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.509 11.301 24.088 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.243 9.393 24.257 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.247 8.496 27.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.562 6.954 25.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 8.277 6.389 28.486 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.427 5.611 27.530 1.00 0.00 H new ATOM 1165 N ARG A 24 4.024 10.326 26.533 1.00 0.00 N ATOM 1166 CA ARG A 24 2.759 10.870 27.113 1.00 0.00 C ATOM 1167 C ARG A 24 3.018 11.243 28.574 1.00 0.00 C ATOM 1168 O ARG A 24 4.071 10.963 29.112 1.00 0.00 O ATOM 1169 CB ARG A 24 1.672 9.789 27.067 1.00 0.00 C ATOM 1170 CG ARG A 24 1.371 9.373 25.621 1.00 0.00 C ATOM 1171 CD ARG A 24 0.396 10.357 24.965 1.00 0.00 C ATOM 1172 NE ARG A 24 0.242 10.017 23.523 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.789 10.458 22.854 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.702 11.168 23.457 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -0.910 10.183 21.584 1.00 0.00 N ATOM 0 H ARG A 24 4.250 9.376 26.827 1.00 0.00 H new ATOM 0 HA ARG A 24 2.434 11.742 26.546 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.994 8.919 27.640 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.763 10.162 27.539 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.297 9.335 25.048 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.946 8.369 25.607 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.572 10.314 25.465 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.765 11.377 25.072 1.00 0.00 H new ATOM 0 HE ARG A 24 0.942 9.439 23.058 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.610 11.379 24.451 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.507 11.513 22.935 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.199 9.623 21.113 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.716 10.528 21.062 1.00 0.00 H new ATOM 1189 N ARG A 25 2.070 11.864 29.224 1.00 0.00 N ATOM 1190 CA ARG A 25 2.263 12.244 30.657 1.00 0.00 C ATOM 1191 C ARG A 25 0.944 12.062 31.412 1.00 0.00 C ATOM 1192 O ARG A 25 -0.095 11.846 30.821 1.00 0.00 O ATOM 1193 CB ARG A 25 2.724 13.701 30.752 1.00 0.00 C ATOM 1194 CG ARG A 25 1.646 14.625 30.187 1.00 0.00 C ATOM 1195 CD ARG A 25 2.199 16.048 30.097 1.00 0.00 C ATOM 1196 NE ARG A 25 1.174 16.931 29.469 1.00 0.00 N ATOM 1197 CZ ARG A 25 1.311 18.229 29.501 1.00 0.00 C ATOM 1198 NH1 ARG A 25 2.360 18.763 30.064 1.00 0.00 N ATOM 1199 NH2 ARG A 25 0.400 18.992 28.963 1.00 0.00 N ATOM 0 H ARG A 25 1.168 12.126 28.825 1.00 0.00 H new ATOM 0 HA ARG A 25 3.025 11.605 31.103 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.929 13.960 31.791 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.655 13.834 30.201 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.335 14.280 29.201 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.762 14.605 30.825 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.454 16.416 31.091 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.116 16.059 29.508 1.00 0.00 H new ATOM 0 HE ARG A 25 0.361 16.518 29.012 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.075 18.166 30.480 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.465 19.777 30.088 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.417 18.574 28.518 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.505 20.006 28.987 1.00 0.00 H new ATOM 1213 N ASN A 26 0.987 12.126 32.719 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.245 11.932 33.548 1.00 0.00 C ATOM 1215 C ASN A 26 -0.530 13.227 34.324 1.00 0.00 C ATOM 1216 O ASN A 26 0.395 13.892 34.738 1.00 0.00 O ATOM 1217 CB ASN A 26 0.041 10.802 34.548 1.00 0.00 C ATOM 1218 CG ASN A 26 -1.261 10.298 35.172 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -1.622 10.703 36.260 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -1.988 9.427 34.526 1.00 0.00 N ATOM 0 H ASN A 26 1.835 12.307 33.256 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.102 11.686 32.921 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.551 9.982 34.043 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.711 11.161 35.329 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.859 9.087 34.934 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.685 9.087 33.613 1.00 0.00 H new ATOM 1227 N PRO A 27 -1.779 13.596 34.529 1.00 0.00 N ATOM 1228 CA PRO A 27 -2.130 14.833 35.292 1.00 0.00 C ATOM 1229 C PRO A 27 -1.278 15.041 36.556 1.00 0.00 C ATOM 1230 O PRO A 27 -1.373 16.067 37.201 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.597 14.612 35.673 1.00 0.00 C ATOM 1232 CG PRO A 27 -4.158 13.759 34.582 1.00 0.00 C ATOM 1233 CD PRO A 27 -2.998 12.909 34.046 1.00 0.00 C ATOM 0 HA PRO A 27 -1.949 15.726 34.694 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.683 14.120 36.642 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.132 15.559 35.748 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.960 13.125 34.960 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.585 14.375 33.790 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.051 11.886 34.419 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.017 12.853 32.958 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.440 14.099 36.913 1.00 0.00 N ATOM 1242 CA GLU A 28 0.419 14.272 38.126 1.00 0.00 C ATOM 1243 C GLU A 28 1.812 14.734 37.691 1.00 0.00 C ATOM 1244 O GLU A 28 2.683 14.979 38.502 1.00 0.00 O ATOM 1245 CB GLU A 28 0.520 12.944 38.879 1.00 0.00 C ATOM 1246 CG GLU A 28 -0.848 12.605 39.475 1.00 0.00 C ATOM 1247 CD GLU A 28 -0.765 11.294 40.261 1.00 0.00 C ATOM 1248 OE1 GLU A 28 0.277 10.661 40.215 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -1.744 10.951 40.905 1.00 0.00 O ATOM 0 H GLU A 28 -0.313 13.217 36.417 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.021 15.019 38.786 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.843 12.152 38.204 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.268 13.015 39.669 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.179 13.411 40.130 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.588 12.516 38.680 1.00 0.00 H new ATOM 1256 N GLY A 29 2.022 14.852 36.407 1.00 0.00 N ATOM 1257 CA GLY A 29 3.347 15.299 35.888 1.00 0.00 C ATOM 1258 C GLY A 29 4.274 14.098 35.689 1.00 0.00 C ATOM 1259 O GLY A 29 5.441 14.252 35.388 1.00 0.00 O ATOM 0 H GLY A 29 1.325 14.656 35.689 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.216 15.826 34.943 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.799 16.004 36.586 1.00 0.00 H new ATOM 1263 N GLN A 30 3.772 12.902 35.840 1.00 0.00 N ATOM 1264 CA GLN A 30 4.639 11.704 35.640 1.00 0.00 C ATOM 1265 C GLN A 30 4.726 11.398 34.138 1.00 0.00 C ATOM 1266 O GLN A 30 3.750 11.538 33.428 1.00 0.00 O ATOM 1267 CB GLN A 30 4.026 10.496 36.351 1.00 0.00 C ATOM 1268 CG GLN A 30 4.068 10.700 37.865 1.00 0.00 C ATOM 1269 CD GLN A 30 3.271 9.583 38.541 1.00 0.00 C ATOM 1270 OE1 GLN A 30 2.671 8.763 37.875 1.00 0.00 O ATOM 1271 NE2 GLN A 30 3.239 9.514 39.842 1.00 0.00 N ATOM 0 H GLN A 30 2.804 12.703 36.092 1.00 0.00 H new ATOM 0 HA GLN A 30 5.630 11.903 36.047 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.996 10.356 36.024 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.571 9.591 36.083 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.099 10.693 38.217 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.649 11.672 38.126 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.743 10.202 40.402 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.710 8.772 40.301 1.00 0.00 H new ATOM 1280 N PRO A 31 5.864 10.973 33.640 1.00 0.00 N ATOM 1281 CA PRO A 31 6.021 10.641 32.195 1.00 0.00 C ATOM 1282 C PRO A 31 5.454 9.255 31.854 1.00 0.00 C ATOM 1283 O PRO A 31 5.512 8.335 32.645 1.00 0.00 O ATOM 1284 CB PRO A 31 7.539 10.669 32.002 1.00 0.00 C ATOM 1285 CG PRO A 31 8.078 10.202 33.312 1.00 0.00 C ATOM 1286 CD PRO A 31 7.128 10.763 34.376 1.00 0.00 C ATOM 0 HA PRO A 31 5.481 11.331 31.547 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.850 10.016 31.187 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.892 11.671 31.760 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.114 9.113 33.355 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.095 10.561 33.467 1.00 0.00 H new ATOM 0 HD2 PRO A 31 6.998 10.067 35.204 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.505 11.694 34.799 1.00 0.00 H new ATOM 1294 N LEU A 32 4.913 9.106 30.674 1.00 0.00 N ATOM 1295 CA LEU A 32 4.340 7.786 30.255 1.00 0.00 C ATOM 1296 C LEU A 32 4.658 7.535 28.779 1.00 0.00 C ATOM 1297 O LEU A 32 4.759 8.459 27.999 1.00 0.00 O ATOM 1298 CB LEU A 32 2.818 7.805 30.434 1.00 0.00 C ATOM 1299 CG LEU A 32 2.446 7.908 31.919 1.00 0.00 C ATOM 1300 CD1 LEU A 32 0.934 8.139 32.043 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.838 6.619 32.660 1.00 0.00 C ATOM 0 H LEU A 32 4.841 9.845 29.975 1.00 0.00 H new ATOM 0 HA LEU A 32 4.776 6.998 30.869 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.394 8.648 29.889 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.386 6.900 30.008 1.00 0.00 H new ATOM 0 HG LEU A 32 2.985 8.743 32.367 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.662 8.213 33.096 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.664 9.064 31.533 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.400 7.305 31.589 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.568 6.708 33.712 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.311 5.772 32.220 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.913 6.462 32.574 1.00 0.00 H new ATOM 1313 N CYS A 33 4.800 6.298 28.376 1.00 0.00 N ATOM 1314 CA CYS A 33 5.084 6.028 26.938 1.00 0.00 C ATOM 1315 C CYS A 33 3.794 6.231 26.136 1.00 0.00 C ATOM 1316 O CYS A 33 2.789 6.659 26.666 1.00 0.00 O ATOM 1317 CB CYS A 33 5.625 4.605 26.750 1.00 0.00 C ATOM 1318 SG CYS A 33 4.310 3.387 26.980 1.00 0.00 S ATOM 0 H CYS A 33 4.732 5.474 28.973 1.00 0.00 H new ATOM 0 HA CYS A 33 5.848 6.718 26.580 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.053 4.502 25.753 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.429 4.419 27.462 1.00 0.00 H new ATOM 0 HG CYS A 33 4.743 2.417 27.729 1.00 0.00 H new ATOM 1323 N ASN A 34 3.818 5.961 24.861 1.00 0.00 N ATOM 1324 CA ASN A 34 2.599 6.177 24.029 1.00 0.00 C ATOM 1325 C ASN A 34 1.462 5.216 24.404 1.00 0.00 C ATOM 1326 O ASN A 34 0.324 5.622 24.541 1.00 0.00 O ATOM 1327 CB ASN A 34 2.958 5.977 22.554 1.00 0.00 C ATOM 1328 CG ASN A 34 3.463 4.550 22.322 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.347 4.027 21.232 1.00 0.00 O ATOM 1330 ND2 ASN A 34 4.042 3.897 23.293 1.00 0.00 N ATOM 0 H ASN A 34 4.628 5.600 24.358 1.00 0.00 H new ATOM 0 HA ASN A 34 2.248 7.193 24.211 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.084 6.167 21.930 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.724 6.694 22.258 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.394 2.953 23.134 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.142 4.331 24.211 1.00 0.00 H new ATOM 1337 N ALA A 35 1.738 3.948 24.535 1.00 0.00 N ATOM 1338 CA ALA A 35 0.655 2.971 24.855 1.00 0.00 C ATOM 1339 C ALA A 35 0.040 3.222 26.241 1.00 0.00 C ATOM 1340 O ALA A 35 -1.166 3.247 26.390 1.00 0.00 O ATOM 1341 CB ALA A 35 1.224 1.553 24.788 1.00 0.00 C ATOM 0 H ALA A 35 2.669 3.544 24.434 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.141 3.096 24.120 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.438 0.834 25.021 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.606 1.361 23.785 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.034 1.451 25.510 1.00 0.00 H new ATOM 1347 N CYS A 36 0.844 3.376 27.260 1.00 0.00 N ATOM 1348 CA CYS A 36 0.280 3.586 28.630 1.00 0.00 C ATOM 1349 C CYS A 36 -0.627 4.818 28.661 1.00 0.00 C ATOM 1350 O CYS A 36 -1.661 4.820 29.297 1.00 0.00 O ATOM 1351 CB CYS A 36 1.417 3.809 29.631 1.00 0.00 C ATOM 1352 SG CYS A 36 2.316 2.267 29.912 1.00 0.00 S ATOM 0 H CYS A 36 1.863 3.366 27.206 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.296 2.699 28.894 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.098 4.572 29.254 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.014 4.180 30.573 1.00 0.00 H new ATOM 0 HG CYS A 36 3.567 2.531 30.150 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.238 5.873 28.002 1.00 0.00 N ATOM 1358 CA GLY A 37 -1.070 7.108 28.024 1.00 0.00 C ATOM 1359 C GLY A 37 -2.371 6.897 27.245 1.00 0.00 C ATOM 1360 O GLY A 37 -3.438 7.261 27.697 1.00 0.00 O ATOM 0 H GLY A 37 0.618 5.934 27.450 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.297 7.381 29.054 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.511 7.937 27.590 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.292 6.335 26.072 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.526 6.131 25.263 1.00 0.00 C ATOM 1366 C LEU A 38 -4.467 5.122 25.928 1.00 0.00 C ATOM 1367 O LEU A 38 -5.649 5.362 26.060 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.139 5.599 23.880 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.336 6.655 23.110 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -1.862 6.048 21.788 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.207 7.894 22.833 1.00 0.00 C ATOM 0 H LEU A 38 -1.428 6.008 25.639 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.040 7.089 25.181 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.549 4.689 23.985 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.036 5.335 23.320 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.478 6.964 23.707 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.290 6.790 21.231 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.233 5.181 21.990 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.726 5.740 21.199 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.623 8.634 22.286 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.074 7.604 22.239 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.542 8.322 23.778 1.00 0.00 H new ATOM 1383 N PHE A 39 -3.969 3.980 26.316 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.867 2.956 26.925 1.00 0.00 C ATOM 1385 C PHE A 39 -5.348 3.386 28.314 1.00 0.00 C ATOM 1386 O PHE A 39 -6.516 3.277 28.633 1.00 0.00 O ATOM 1387 CB PHE A 39 -4.121 1.625 27.050 1.00 0.00 C ATOM 1388 CG PHE A 39 -5.124 0.529 27.328 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -5.640 0.354 28.619 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.556 -0.295 26.285 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -6.588 -0.650 28.862 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.504 -1.292 26.525 1.00 0.00 C ATOM 1393 CZ PHE A 39 -7.020 -1.472 27.811 1.00 0.00 C ATOM 0 H PHE A 39 -2.988 3.712 26.239 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.735 2.847 26.275 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.573 1.412 26.132 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.387 1.678 27.854 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.308 0.991 29.425 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.156 -0.160 25.291 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.985 -0.790 29.857 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.839 -1.924 25.716 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.752 -2.244 27.996 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.460 3.837 29.155 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.872 4.228 30.534 1.00 0.00 C ATOM 1405 C LEU A 40 -5.903 5.362 30.480 1.00 0.00 C ATOM 1406 O LEU A 40 -6.935 5.304 31.117 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.635 4.677 31.319 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.968 4.841 32.809 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -4.179 3.469 33.472 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.805 5.560 33.499 1.00 0.00 C ATOM 0 H LEU A 40 -3.468 3.952 28.949 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.329 3.372 31.031 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.836 3.945 31.198 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.266 5.621 30.918 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.886 5.420 32.906 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.414 3.607 34.527 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.003 2.951 32.982 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.270 2.875 33.377 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.030 5.682 34.558 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.895 4.971 33.387 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.661 6.540 33.043 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.629 6.393 29.731 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.590 7.532 29.641 1.00 0.00 C ATOM 1424 C LYS A 41 -7.923 7.055 29.055 1.00 0.00 C ATOM 1425 O LYS A 41 -8.984 7.421 29.520 1.00 0.00 O ATOM 1426 CB LYS A 41 -6.000 8.614 28.728 1.00 0.00 C ATOM 1427 CG LYS A 41 -6.840 9.903 28.804 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.378 10.779 29.983 1.00 0.00 C ATOM 1429 CE LYS A 41 -5.222 11.683 29.546 1.00 0.00 C ATOM 1430 NZ LYS A 41 -4.563 12.260 30.751 1.00 0.00 N ATOM 0 H LYS A 41 -4.780 6.498 29.176 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.762 7.933 30.640 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.972 8.825 29.022 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.969 8.253 27.700 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.748 10.460 27.872 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.894 9.651 28.922 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.209 11.386 30.342 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.062 10.148 30.813 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.500 11.112 28.961 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.593 12.481 28.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.777 12.874 30.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.255 12.818 31.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.196 11.491 31.348 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.874 6.262 28.021 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.135 5.788 27.382 1.00 0.00 C ATOM 1446 C LEU A 42 -9.874 4.798 28.289 1.00 0.00 C ATOM 1447 O LEU A 42 -11.087 4.808 28.363 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.804 5.095 26.057 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.284 6.109 25.028 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -7.754 5.349 23.807 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.409 7.064 24.591 1.00 0.00 C ATOM 0 H LEU A 42 -7.015 5.921 27.590 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.777 6.652 27.210 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.054 4.321 26.223 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.693 4.599 25.668 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.487 6.699 25.480 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.382 6.060 23.069 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.944 4.687 24.114 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.559 4.759 23.368 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.020 7.775 23.862 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.220 6.490 24.142 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.785 7.605 25.460 1.00 0.00 H new ATOM 1463 N HIS A 43 -9.171 3.918 28.950 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.860 2.909 29.810 1.00 0.00 C ATOM 1465 C HIS A 43 -10.096 3.458 31.220 1.00 0.00 C ATOM 1466 O HIS A 43 -11.117 3.199 31.825 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.999 1.649 29.869 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.894 1.085 28.480 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -8.104 1.675 27.506 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.494 0.008 27.876 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.251 0.959 26.377 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -9.087 -0.070 26.547 1.00 0.00 N ATOM 0 H HIS A 43 -8.153 3.853 28.933 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.834 2.675 29.381 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.009 1.883 30.260 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.443 0.917 30.544 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.518 2.501 27.624 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.178 -0.675 28.358 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.754 1.188 25.446 1.00 0.00 H new ATOM 1480 N GLY A 44 -9.181 4.220 31.753 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.390 4.782 33.119 1.00 0.00 C ATOM 1482 C GLY A 44 -9.269 3.692 34.189 1.00 0.00 C ATOM 1483 O GLY A 44 -9.556 3.932 35.346 1.00 0.00 O ATOM 0 H GLY A 44 -8.301 4.477 31.305 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.657 5.566 33.309 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.375 5.246 33.178 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.859 2.502 33.830 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.738 1.411 34.849 1.00 0.00 C ATOM 1489 C VAL A 45 -7.464 0.600 34.613 1.00 0.00 C ATOM 1490 O VAL A 45 -7.074 0.335 33.493 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.944 0.478 34.753 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -11.195 1.205 35.247 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -10.150 0.052 33.298 1.00 0.00 C ATOM 0 H VAL A 45 -8.603 2.237 32.879 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.698 1.866 35.839 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.766 -0.403 35.369 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.054 0.538 35.178 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.054 1.509 36.284 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.370 2.087 34.631 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.011 -0.613 33.232 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.325 0.934 32.682 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.261 -0.468 32.942 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.812 0.215 35.674 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.555 -0.576 35.547 1.00 0.00 C ATOM 1505 C VAL A 46 -5.824 -1.883 34.799 1.00 0.00 C ATOM 1506 O VAL A 46 -6.907 -2.432 34.844 1.00 0.00 O ATOM 1507 CB VAL A 46 -5.005 -0.887 36.938 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -4.603 0.416 37.628 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -6.079 -1.594 37.766 1.00 0.00 C ATOM 0 H VAL A 46 -7.098 0.416 36.632 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.825 0.008 34.986 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.133 -1.535 36.848 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.210 0.196 38.621 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.837 0.919 37.038 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.475 1.064 37.718 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.686 -1.816 38.758 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.952 -0.948 37.857 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.365 -2.523 37.273 1.00 0.00 H new ATOM 1519 N ARG A 47 -4.832 -2.382 34.116 1.00 0.00 N ATOM 1520 CA ARG A 47 -4.990 -3.656 33.358 1.00 0.00 C ATOM 1521 C ARG A 47 -3.608 -4.323 33.265 1.00 0.00 C ATOM 1522 O ARG A 47 -2.628 -3.643 33.037 1.00 0.00 O ATOM 1523 CB ARG A 47 -5.519 -3.321 31.960 1.00 0.00 C ATOM 1524 CG ARG A 47 -6.088 -4.577 31.287 1.00 0.00 C ATOM 1525 CD ARG A 47 -6.769 -4.216 29.953 1.00 0.00 C ATOM 1526 NE ARG A 47 -8.072 -4.941 29.820 1.00 0.00 N ATOM 1527 CZ ARG A 47 -8.179 -6.216 30.093 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -7.127 -6.920 30.409 1.00 0.00 N ATOM 1529 NH2 ARG A 47 -9.346 -6.797 30.017 1.00 0.00 N ATOM 0 H ARG A 47 -3.907 -1.957 34.050 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.688 -4.333 33.850 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.293 -2.557 32.031 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.716 -2.906 31.350 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.288 -5.296 31.110 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.807 -5.058 31.950 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.937 -3.140 29.903 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.114 -4.476 29.121 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.897 -4.428 29.509 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.209 -6.477 30.445 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.223 -7.913 30.620 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.168 -6.257 29.746 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.436 -7.791 30.229 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.504 -5.623 33.452 1.00 0.00 N ATOM 1544 CA PRO A 48 -2.200 -6.339 33.395 1.00 0.00 C ATOM 1545 C PRO A 48 -1.187 -5.699 32.441 1.00 0.00 C ATOM 1546 O PRO A 48 -1.286 -5.812 31.236 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.606 -7.726 32.913 1.00 0.00 C ATOM 1548 CG PRO A 48 -3.939 -7.961 33.557 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.594 -6.579 33.741 1.00 0.00 C ATOM 0 HA PRO A 48 -1.687 -6.327 34.356 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.676 -7.766 31.826 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -1.879 -8.481 33.213 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.561 -8.604 32.934 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.821 -8.464 34.517 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.435 -6.443 33.061 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -4.978 -6.451 34.753 1.00 0.00 H new ATOM 1557 N LEU A 49 -0.198 -5.048 32.990 1.00 0.00 N ATOM 1558 CA LEU A 49 0.849 -4.420 32.138 1.00 0.00 C ATOM 1559 C LEU A 49 1.529 -5.518 31.322 1.00 0.00 C ATOM 1560 O LEU A 49 2.292 -5.258 30.414 1.00 0.00 O ATOM 1561 CB LEU A 49 1.876 -3.706 33.020 1.00 0.00 C ATOM 1562 CG LEU A 49 1.187 -2.601 33.832 1.00 0.00 C ATOM 1563 CD1 LEU A 49 2.205 -1.965 34.785 1.00 0.00 C ATOM 1564 CD2 LEU A 49 0.612 -1.528 32.888 1.00 0.00 C ATOM 0 H LEU A 49 -0.071 -4.924 33.994 1.00 0.00 H new ATOM 0 HA LEU A 49 0.399 -3.686 31.469 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.351 -4.421 33.692 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.664 -3.277 32.401 1.00 0.00 H new ATOM 0 HG LEU A 49 0.369 -3.034 34.407 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.720 -1.179 35.364 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.595 -2.726 35.461 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.025 -1.537 34.208 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.126 -0.749 33.476 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.419 -1.089 32.301 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.116 -1.985 32.218 1.00 0.00 H new ATOM 1576 N SER A 50 1.254 -6.750 31.655 1.00 0.00 N ATOM 1577 CA SER A 50 1.876 -7.884 30.920 1.00 0.00 C ATOM 1578 C SER A 50 1.509 -7.784 29.438 1.00 0.00 C ATOM 1579 O SER A 50 2.052 -8.485 28.607 1.00 0.00 O ATOM 1580 CB SER A 50 1.357 -9.204 31.494 1.00 0.00 C ATOM 1581 OG SER A 50 1.525 -9.196 32.905 1.00 0.00 O ATOM 0 H SER A 50 0.622 -7.019 32.409 1.00 0.00 H new ATOM 0 HA SER A 50 2.960 -7.846 31.028 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.305 -9.336 31.241 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.898 -10.043 31.056 1.00 0.00 H new ATOM 0 HG SER A 50 1.193 -10.039 33.279 1.00 0.00 H new ATOM 1587 N LEU A 51 0.611 -6.901 29.095 1.00 0.00 N ATOM 1588 CA LEU A 51 0.242 -6.747 27.660 1.00 0.00 C ATOM 1589 C LEU A 51 1.387 -6.012 26.963 1.00 0.00 C ATOM 1590 O LEU A 51 1.767 -6.330 25.853 1.00 0.00 O ATOM 1591 CB LEU A 51 -1.036 -5.914 27.539 1.00 0.00 C ATOM 1592 CG LEU A 51 -2.185 -6.586 28.303 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -3.269 -5.547 28.591 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -2.790 -7.719 27.466 1.00 0.00 C ATOM 0 H LEU A 51 0.120 -6.284 29.742 1.00 0.00 H new ATOM 0 HA LEU A 51 0.071 -7.723 27.206 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.864 -4.913 27.934 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.306 -5.800 26.489 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.798 -6.998 29.235 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.089 -6.017 29.134 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.850 -4.741 29.194 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.642 -5.140 27.651 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.604 -8.186 28.021 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.174 -7.314 26.530 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.023 -8.463 27.252 1.00 0.00 H new ATOM 1606 N LYS A 52 1.948 -5.038 27.624 1.00 0.00 N ATOM 1607 CA LYS A 52 3.086 -4.270 27.038 1.00 0.00 C ATOM 1608 C LYS A 52 4.127 -5.245 26.474 1.00 0.00 C ATOM 1609 O LYS A 52 4.213 -6.383 26.888 1.00 0.00 O ATOM 1610 CB LYS A 52 3.717 -3.416 28.151 1.00 0.00 C ATOM 1611 CG LYS A 52 5.005 -2.715 27.661 1.00 0.00 C ATOM 1612 CD LYS A 52 6.250 -3.496 28.112 1.00 0.00 C ATOM 1613 CE LYS A 52 7.517 -2.744 27.696 1.00 0.00 C ATOM 1614 NZ LYS A 52 8.669 -3.687 27.672 1.00 0.00 N ATOM 0 H LYS A 52 1.664 -4.737 28.556 1.00 0.00 H new ATOM 0 HA LYS A 52 2.734 -3.628 26.231 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.000 -2.668 28.489 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.948 -4.047 29.009 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.992 -2.637 26.574 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.044 -1.699 28.053 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.234 -3.629 29.194 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.246 -4.492 27.668 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.380 -2.296 26.712 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.715 -1.929 28.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.298 -3.447 26.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.196 -3.615 28.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.319 -4.659 27.554 1.00 0.00 H new ATOM 1628 N THR A 53 4.940 -4.793 25.555 1.00 0.00 N ATOM 1629 CA THR A 53 6.006 -5.666 24.983 1.00 0.00 C ATOM 1630 C THR A 53 7.190 -4.793 24.562 1.00 0.00 C ATOM 1631 O THR A 53 7.096 -3.581 24.538 1.00 0.00 O ATOM 1632 CB THR A 53 5.471 -6.431 23.772 1.00 0.00 C ATOM 1633 OG1 THR A 53 6.561 -6.945 23.019 1.00 0.00 O ATOM 1634 CG2 THR A 53 4.632 -5.499 22.896 1.00 0.00 C ATOM 0 H THR A 53 4.910 -3.848 25.173 1.00 0.00 H new ATOM 0 HA THR A 53 6.326 -6.387 25.735 1.00 0.00 H new ATOM 0 HB THR A 53 4.845 -7.255 24.114 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.220 -7.437 22.243 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.254 -6.051 22.035 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.794 -5.112 23.475 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.249 -4.669 22.552 1.00 0.00 H new ATOM 1642 N ASP A 54 8.305 -5.387 24.232 1.00 0.00 N ATOM 1643 CA ASP A 54 9.489 -4.575 23.816 1.00 0.00 C ATOM 1644 C ASP A 54 9.502 -4.451 22.291 1.00 0.00 C ATOM 1645 O ASP A 54 10.368 -3.819 21.719 1.00 0.00 O ATOM 1646 CB ASP A 54 10.775 -5.274 24.266 1.00 0.00 C ATOM 1647 CG ASP A 54 10.865 -5.260 25.793 1.00 0.00 C ATOM 1648 OD1 ASP A 54 10.807 -4.182 26.361 1.00 0.00 O ATOM 1649 OD2 ASP A 54 10.987 -6.329 26.368 1.00 0.00 O ATOM 0 H ASP A 54 8.449 -6.397 24.232 1.00 0.00 H new ATOM 0 HA ASP A 54 9.429 -3.587 24.273 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.788 -6.301 23.901 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.642 -4.772 23.837 1.00 0.00 H new ATOM 1654 N VAL A 55 8.535 -5.041 21.633 1.00 0.00 N ATOM 1655 CA VAL A 55 8.459 -4.960 20.143 1.00 0.00 C ATOM 1656 C VAL A 55 7.255 -4.100 19.764 1.00 0.00 C ATOM 1657 O VAL A 55 6.160 -4.307 20.249 1.00 0.00 O ATOM 1658 CB VAL A 55 8.275 -6.359 19.552 1.00 0.00 C ATOM 1659 CG1 VAL A 55 8.235 -6.256 18.025 1.00 0.00 C ATOM 1660 CG2 VAL A 55 9.437 -7.258 19.975 1.00 0.00 C ATOM 0 H VAL A 55 7.788 -5.581 22.070 1.00 0.00 H new ATOM 0 HA VAL A 55 9.379 -4.525 19.754 1.00 0.00 H new ATOM 0 HB VAL A 55 7.342 -6.789 19.917 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.104 -7.250 17.597 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.403 -5.619 17.725 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.170 -5.826 17.665 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.300 -8.253 19.551 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.374 -6.835 19.614 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.466 -7.328 21.062 1.00 0.00 H new ATOM 1670 N ILE A 56 7.450 -3.137 18.902 1.00 0.00 N ATOM 1671 CA ILE A 56 6.325 -2.249 18.476 1.00 0.00 C ATOM 1672 C ILE A 56 5.956 -2.538 17.020 1.00 0.00 C ATOM 1673 O ILE A 56 6.803 -2.583 16.149 1.00 0.00 O ATOM 1674 CB ILE A 56 6.746 -0.789 18.631 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.088 -0.526 20.101 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.593 0.116 18.199 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.741 0.850 20.246 1.00 0.00 C ATOM 0 H ILE A 56 8.349 -2.925 18.470 1.00 0.00 H new ATOM 0 HA ILE A 56 5.454 -2.441 19.102 1.00 0.00 H new ATOM 0 HB ILE A 56 7.617 -0.582 18.010 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.184 -0.575 20.708 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.762 -1.299 20.470 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.889 1.159 18.308 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.345 -0.084 17.157 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.722 -0.081 18.824 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.981 1.030 21.294 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.655 0.883 19.653 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.052 1.618 19.894 1.00 0.00 H new ATOM 1689 N LYS A 57 4.694 -2.741 16.753 1.00 0.00 N ATOM 1690 CA LYS A 57 4.258 -3.038 15.359 1.00 0.00 C ATOM 1691 C LYS A 57 4.157 -1.727 14.576 1.00 0.00 C ATOM 1692 O LYS A 57 3.480 -0.801 14.977 1.00 0.00 O ATOM 1693 CB LYS A 57 2.885 -3.717 15.408 1.00 0.00 C ATOM 1694 CG LYS A 57 2.538 -4.305 14.037 1.00 0.00 C ATOM 1695 CD LYS A 57 1.050 -4.669 13.992 1.00 0.00 C ATOM 1696 CE LYS A 57 0.746 -5.787 14.995 1.00 0.00 C ATOM 1697 NZ LYS A 57 -0.619 -6.328 14.738 1.00 0.00 N ATOM 0 H LYS A 57 3.944 -2.714 17.443 1.00 0.00 H new ATOM 0 HA LYS A 57 4.976 -3.696 14.870 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.888 -4.506 16.160 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.124 -2.995 15.706 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.770 -3.585 13.253 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.145 -5.190 13.846 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.447 -3.791 14.222 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.777 -4.989 12.986 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.487 -6.582 14.905 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.811 -5.404 16.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.826 -7.087 15.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.320 -5.567 14.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.665 -6.708 13.771 1.00 0.00 H new ATOM 1711 N LYS A 58 4.825 -1.645 13.457 1.00 0.00 N ATOM 1712 CA LYS A 58 4.773 -0.399 12.637 1.00 0.00 C ATOM 1713 C LYS A 58 3.564 -0.461 11.704 1.00 0.00 C ATOM 1714 O LYS A 58 3.361 -1.435 11.007 1.00 0.00 O ATOM 1715 CB LYS A 58 6.051 -0.289 11.804 1.00 0.00 C ATOM 1716 CG LYS A 58 7.243 -0.035 12.730 1.00 0.00 C ATOM 1717 CD LYS A 58 8.540 -0.010 11.913 1.00 0.00 C ATOM 1718 CE LYS A 58 8.578 1.227 11.009 1.00 0.00 C ATOM 1719 NZ LYS A 58 9.991 1.519 10.634 1.00 0.00 N ATOM 0 H LYS A 58 5.407 -2.390 13.074 1.00 0.00 H new ATOM 0 HA LYS A 58 4.687 0.469 13.291 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.207 -1.206 11.235 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.958 0.522 11.082 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.114 0.913 13.253 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.297 -0.814 13.491 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.400 -0.005 12.583 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.613 -0.913 11.307 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.980 1.056 10.114 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.142 2.082 11.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.021 2.358 10.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.548 1.699 11.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.391 0.704 10.126 1.00 0.00 H new ATOM 1733 N ARG A 59 2.747 0.560 11.695 1.00 0.00 N ATOM 1734 CA ARG A 59 1.537 0.553 10.817 1.00 0.00 C ATOM 1735 C ARG A 59 1.820 1.367 9.555 1.00 0.00 C ATOM 1736 O ARG A 59 2.890 1.917 9.386 1.00 0.00 O ATOM 1737 CB ARG A 59 0.360 1.184 11.565 1.00 0.00 C ATOM 1738 CG ARG A 59 0.168 0.505 12.929 1.00 0.00 C ATOM 1739 CD ARG A 59 -0.326 -0.937 12.757 1.00 0.00 C ATOM 1740 NE ARG A 59 -1.445 -0.990 11.763 1.00 0.00 N ATOM 1741 CZ ARG A 59 -2.531 -0.281 11.914 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -2.756 0.356 13.029 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -3.420 -0.251 10.960 1.00 0.00 N ATOM 0 H ARG A 59 2.865 1.401 12.259 1.00 0.00 H new ATOM 0 HA ARG A 59 1.293 -0.474 10.546 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.539 2.250 11.704 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.550 1.088 10.972 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.110 0.508 13.477 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.549 1.071 13.524 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.495 -1.572 12.424 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.664 -1.329 13.716 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.356 -1.596 10.947 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.081 0.303 13.792 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.607 0.908 13.138 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.265 -0.780 10.102 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.270 0.301 11.072 1.00 0.00 H new ATOM 1757 N ASN A 60 0.876 1.429 8.656 1.00 0.00 N ATOM 1758 CA ASN A 60 1.102 2.187 7.395 1.00 0.00 C ATOM 1759 C ASN A 60 0.959 3.687 7.651 1.00 0.00 C ATOM 1760 O ASN A 60 0.903 4.134 8.779 1.00 0.00 O ATOM 1761 CB ASN A 60 0.089 1.732 6.340 1.00 0.00 C ATOM 1762 CG ASN A 60 0.444 0.315 5.882 1.00 0.00 C ATOM 1763 OD1 ASN A 60 1.566 -0.122 6.044 1.00 0.00 O ATOM 1764 ND2 ASN A 60 -0.468 -0.426 5.313 1.00 0.00 N ATOM 0 H ASN A 60 -0.040 0.988 8.741 1.00 0.00 H new ATOM 0 HA ASN A 60 2.111 1.992 7.032 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.919 1.752 6.754 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.098 2.415 5.491 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.238 -1.371 5.005 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.410 -0.060 5.177 1.00 0.00 H new