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 158:sc= 1.24 USER MOD Set 1.2: A 15 CYS SG : rot 78:sc= -0.245! USER MOD Set 1.3: A 17 THR OG1 : rot 130:sc= -2.27! USER MOD Set 1.4: A 33 CYS SG : rot -135:sc= 0.975 USER MOD Set 1.5: A 36 CYS SG : rot 148:sc= 0.154 USER MOD Set 2.1: A 20 THR OG1 : rot -114:sc= -1.32 USER MOD Set 2.2: A 34 ASN :FLIP amide:sc= -13.1! C(o=-17!,f=-14!) USER MOD Set 3.1: A 18 GLN : amide:sc= -3.27! C(o=-3.1!,f=-6!) USER MOD Set 3.2: A 19 THR OG1 : rot -8:sc= 0.178 USER MOD Single : A 11 THR OG1 : rot 39:sc= 0.104 USER MOD Single : A 13 THR OG1 : rot 150:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -3.27! C(o=-3.3!,f=-3.7!) USER MOD Single : A 26 ASN :FLIP amide:sc= -1.4 F(o=-4.5!,f=-1.4) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -115:sc= -1.6 (180deg=-3.93!) USER MOD Single : A 43 HIS : no HE2:sc= -9.98! C(o=-10!,f=-12!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -143:sc= -0.273 USER MOD Single : A 57 LYS NZ :NH3+ 166:sc=-0.00911 (180deg=-0.204) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 11.452 7.267 31.533 1.00 0.00 N ATOM 971 CA THR A 11 10.997 5.843 31.546 1.00 0.00 C ATOM 972 C THR A 11 9.503 5.780 31.875 1.00 0.00 C ATOM 973 O THR A 11 9.016 6.481 32.740 1.00 0.00 O ATOM 974 CB THR A 11 11.788 5.072 32.603 1.00 0.00 C ATOM 975 OG1 THR A 11 13.172 5.123 32.284 1.00 0.00 O ATOM 976 CG2 THR A 11 11.317 3.616 32.628 1.00 0.00 C ATOM 0 HA THR A 11 11.165 5.398 30.565 1.00 0.00 H new ATOM 0 HB THR A 11 11.626 5.520 33.583 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.395 6.012 31.938 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.880 3.064 33.381 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.255 3.581 32.871 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.480 3.164 31.650 1.00 0.00 H new ATOM 984 N CYS A 12 8.774 4.938 31.191 1.00 0.00 N ATOM 985 CA CYS A 12 7.310 4.821 31.460 1.00 0.00 C ATOM 986 C CYS A 12 7.103 4.275 32.873 1.00 0.00 C ATOM 987 O CYS A 12 7.366 3.122 33.151 1.00 0.00 O ATOM 988 CB CYS A 12 6.678 3.871 30.439 1.00 0.00 C ATOM 989 SG CYS A 12 4.873 4.032 30.482 1.00 0.00 S ATOM 0 H CYS A 12 9.129 4.326 30.457 1.00 0.00 H new ATOM 0 HA CYS A 12 6.839 5.800 31.376 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.048 4.099 29.439 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.966 2.843 30.659 1.00 0.00 H new ATOM 0 HG CYS A 12 4.373 3.615 29.357 1.00 0.00 H new ATOM 994 N THR A 13 6.626 5.096 33.767 1.00 0.00 N ATOM 995 CA THR A 13 6.406 4.628 35.165 1.00 0.00 C ATOM 996 C THR A 13 5.349 3.525 35.182 1.00 0.00 C ATOM 997 O THR A 13 5.122 2.900 36.199 1.00 0.00 O ATOM 998 CB THR A 13 5.937 5.794 36.043 1.00 0.00 C ATOM 999 OG1 THR A 13 4.703 6.296 35.552 1.00 0.00 O ATOM 1000 CG2 THR A 13 6.992 6.900 36.024 1.00 0.00 C ATOM 0 H THR A 13 6.379 6.070 33.591 1.00 0.00 H new ATOM 0 HA THR A 13 7.346 4.238 35.556 1.00 0.00 H new ATOM 0 HB THR A 13 5.797 5.446 37.066 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.178 6.659 36.296 1.00 0.00 H new ATOM 0 HG21 THR A 13 6.660 7.730 36.648 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.934 6.511 36.409 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.135 7.249 35.001 1.00 0.00 H new ATOM 1008 N ASN A 14 4.682 3.290 34.080 1.00 0.00 N ATOM 1009 CA ASN A 14 3.618 2.243 34.053 1.00 0.00 C ATOM 1010 C ASN A 14 4.111 0.931 33.423 1.00 0.00 C ATOM 1011 O ASN A 14 3.660 -0.126 33.812 1.00 0.00 O ATOM 1012 CB ASN A 14 2.434 2.769 33.235 1.00 0.00 C ATOM 1013 CG ASN A 14 1.601 3.729 34.088 1.00 0.00 C ATOM 1014 OD1 ASN A 14 1.932 3.993 35.227 1.00 0.00 O ATOM 1015 ND2 ASN A 14 0.518 4.251 33.584 1.00 0.00 N ATOM 0 H ASN A 14 4.829 3.779 33.197 1.00 0.00 H new ATOM 0 HA ASN A 14 3.328 2.031 35.082 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.795 3.281 32.343 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.815 1.938 32.897 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.053 4.882 34.146 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.242 4.028 32.628 1.00 0.00 H new ATOM 1022 N CYS A 15 4.985 0.962 32.442 1.00 0.00 N ATOM 1023 CA CYS A 15 5.426 -0.327 31.804 1.00 0.00 C ATOM 1024 C CYS A 15 6.928 -0.327 31.493 1.00 0.00 C ATOM 1025 O CYS A 15 7.401 -1.152 30.737 1.00 0.00 O ATOM 1026 CB CYS A 15 4.638 -0.547 30.507 1.00 0.00 C ATOM 1027 SG CYS A 15 5.286 0.529 29.201 1.00 0.00 S ATOM 0 H CYS A 15 5.407 1.808 32.059 1.00 0.00 H new ATOM 0 HA CYS A 15 5.231 -1.134 32.510 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.710 -1.590 30.200 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.582 -0.336 30.673 1.00 0.00 H new ATOM 0 HG CYS A 15 6.391 0.028 28.735 1.00 0.00 H new ATOM 1032 N PHE A 16 7.681 0.564 32.079 1.00 0.00 N ATOM 1033 CA PHE A 16 9.158 0.593 31.843 1.00 0.00 C ATOM 1034 C PHE A 16 9.502 0.774 30.358 1.00 0.00 C ATOM 1035 O PHE A 16 10.659 0.775 29.989 1.00 0.00 O ATOM 1036 CB PHE A 16 9.791 -0.701 32.368 1.00 0.00 C ATOM 1037 CG PHE A 16 9.610 -0.770 33.866 1.00 0.00 C ATOM 1038 CD1 PHE A 16 10.546 -0.162 34.710 1.00 0.00 C ATOM 1039 CD2 PHE A 16 8.503 -1.435 34.410 1.00 0.00 C ATOM 1040 CE1 PHE A 16 10.378 -0.219 36.099 1.00 0.00 C ATOM 1041 CE2 PHE A 16 8.336 -1.490 35.800 1.00 0.00 C ATOM 1042 CZ PHE A 16 9.273 -0.883 36.642 1.00 0.00 C ATOM 0 H PHE A 16 7.335 1.281 32.717 1.00 0.00 H new ATOM 0 HA PHE A 16 9.561 1.451 32.381 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.327 -1.566 31.893 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.851 -0.730 32.116 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.398 0.351 34.290 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.780 -1.904 33.759 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.101 0.249 36.751 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.483 -2.001 36.221 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.143 -0.927 37.713 1.00 0.00 H new ATOM 1052 N THR A 17 8.533 0.911 29.494 1.00 0.00 N ATOM 1053 CA THR A 17 8.863 1.073 28.047 1.00 0.00 C ATOM 1054 C THR A 17 9.790 2.272 27.857 1.00 0.00 C ATOM 1055 O THR A 17 9.475 3.383 28.235 1.00 0.00 O ATOM 1056 CB THR A 17 7.580 1.315 27.253 1.00 0.00 C ATOM 1057 OG1 THR A 17 6.875 0.091 27.166 1.00 0.00 O ATOM 1058 CG2 THR A 17 7.910 1.827 25.843 1.00 0.00 C ATOM 0 H THR A 17 7.539 0.918 29.722 1.00 0.00 H new ATOM 0 HA THR A 17 9.355 0.167 27.694 1.00 0.00 H new ATOM 0 HB THR A 17 6.973 2.068 27.755 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.943 0.230 27.436 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.985 1.994 25.291 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.463 2.763 25.916 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.516 1.087 25.320 1.00 0.00 H new ATOM 1066 N GLN A 18 10.922 2.050 27.249 1.00 0.00 N ATOM 1067 CA GLN A 18 11.880 3.163 26.994 1.00 0.00 C ATOM 1068 C GLN A 18 11.792 3.566 25.518 1.00 0.00 C ATOM 1069 O GLN A 18 12.322 4.580 25.109 1.00 0.00 O ATOM 1070 CB GLN A 18 13.297 2.686 27.331 1.00 0.00 C ATOM 1071 CG GLN A 18 14.309 3.817 27.098 1.00 0.00 C ATOM 1072 CD GLN A 18 14.766 3.834 25.635 1.00 0.00 C ATOM 1073 OE1 GLN A 18 14.610 2.863 24.920 1.00 0.00 O ATOM 1074 NE2 GLN A 18 15.335 4.907 25.159 1.00 0.00 N ATOM 0 H GLN A 18 11.228 1.136 26.915 1.00 0.00 H new ATOM 0 HA GLN A 18 11.637 4.025 27.615 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.340 2.358 28.370 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.555 1.825 26.714 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.858 4.775 27.356 1.00 0.00 H new ATOM 0 HG3 GLN A 18 15.170 3.683 27.753 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.467 5.723 25.757 1.00 0.00 H new ATOM 0 HE22 GLN A 18 15.648 4.930 24.189 1.00 0.00 H new ATOM 1083 N THR A 19 11.118 2.774 24.717 1.00 0.00 N ATOM 1084 CA THR A 19 10.983 3.088 23.259 1.00 0.00 C ATOM 1085 C THR A 19 9.510 3.342 22.926 1.00 0.00 C ATOM 1086 O THR A 19 8.642 2.567 23.273 1.00 0.00 O ATOM 1087 CB THR A 19 11.494 1.899 22.438 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.810 1.573 22.863 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.520 2.271 20.954 1.00 0.00 C ATOM 0 H THR A 19 10.652 1.917 25.014 1.00 0.00 H new ATOM 0 HA THR A 19 11.567 3.977 23.020 1.00 0.00 H new ATOM 0 HB THR A 19 10.834 1.044 22.584 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.134 2.261 23.481 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.884 1.424 20.373 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.513 2.530 20.626 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.181 3.124 20.804 1.00 0.00 H new ATOM 1097 N THR A 20 9.224 4.427 22.257 1.00 0.00 N ATOM 1098 CA THR A 20 7.808 4.737 21.905 1.00 0.00 C ATOM 1099 C THR A 20 7.783 5.855 20.856 1.00 0.00 C ATOM 1100 O THR A 20 8.647 6.708 20.850 1.00 0.00 O ATOM 1101 CB THR A 20 7.074 5.208 23.166 1.00 0.00 C ATOM 1102 OG1 THR A 20 5.826 5.778 22.805 1.00 0.00 O ATOM 1103 CG2 THR A 20 7.918 6.257 23.896 1.00 0.00 C ATOM 0 H THR A 20 9.910 5.112 21.939 1.00 0.00 H new ATOM 0 HA THR A 20 7.321 3.848 21.504 1.00 0.00 H new ATOM 0 HB THR A 20 6.910 4.354 23.823 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.832 6.736 23.012 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.392 6.588 24.791 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.876 5.821 24.179 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.088 7.110 23.238 1.00 0.00 H new ATOM 1111 N PRO A 21 6.809 5.874 19.978 1.00 0.00 N ATOM 1112 CA PRO A 21 6.715 6.937 18.937 1.00 0.00 C ATOM 1113 C PRO A 21 6.565 8.333 19.562 1.00 0.00 C ATOM 1114 O PRO A 21 6.937 9.325 18.967 1.00 0.00 O ATOM 1115 CB PRO A 21 5.491 6.539 18.095 1.00 0.00 C ATOM 1116 CG PRO A 21 4.694 5.619 18.964 1.00 0.00 C ATOM 1117 CD PRO A 21 5.703 4.906 19.865 1.00 0.00 C ATOM 0 HA PRO A 21 7.618 7.006 18.331 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.908 7.415 17.811 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.793 6.044 17.172 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.967 6.175 19.556 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.134 4.903 18.363 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.275 4.671 20.839 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.037 3.965 19.428 1.00 0.00 H new ATOM 1125 N VAL A 22 6.054 8.424 20.764 1.00 0.00 N ATOM 1126 CA VAL A 22 5.930 9.769 21.412 1.00 0.00 C ATOM 1127 C VAL A 22 5.653 9.607 22.912 1.00 0.00 C ATOM 1128 O VAL A 22 5.008 8.677 23.347 1.00 0.00 O ATOM 1129 CB VAL A 22 4.826 10.602 20.746 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.468 9.915 20.884 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.767 11.981 21.409 1.00 0.00 C ATOM 0 H VAL A 22 5.721 7.637 21.320 1.00 0.00 H new ATOM 0 HA VAL A 22 6.873 10.301 21.283 1.00 0.00 H new ATOM 0 HB VAL A 22 5.056 10.704 19.685 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.702 10.524 20.404 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.505 8.936 20.406 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.227 9.794 21.940 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.984 12.577 20.940 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.548 11.865 22.470 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.727 12.484 21.289 1.00 0.00 H new ATOM 1141 N TRP A 23 6.167 10.502 23.711 1.00 0.00 N ATOM 1142 CA TRP A 23 5.969 10.395 25.188 1.00 0.00 C ATOM 1143 C TRP A 23 4.665 11.073 25.617 1.00 0.00 C ATOM 1144 O TRP A 23 4.362 12.182 25.227 1.00 0.00 O ATOM 1145 CB TRP A 23 7.153 11.050 25.904 1.00 0.00 C ATOM 1146 CG TRP A 23 8.337 10.142 25.821 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.378 10.294 24.971 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.608 8.933 26.588 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.275 9.263 25.173 1.00 0.00 N ATOM 1150 CE2 TRP A 23 9.844 8.396 26.157 1.00 0.00 C ATOM 1151 CE3 TRP A 23 7.909 8.255 27.604 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.371 7.232 26.716 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.435 7.080 28.167 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.662 6.570 27.723 1.00 0.00 C ATOM 0 H TRP A 23 6.717 11.305 23.406 1.00 0.00 H new ATOM 0 HA TRP A 23 5.908 9.341 25.457 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.384 12.012 25.446 1.00 0.00 H new ATOM 0 HB3 TRP A 23 6.901 11.245 26.946 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.490 11.092 24.251 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.149 9.156 24.658 1.00 0.00 H new ATOM 0 HE3 TRP A 23 6.962 8.640 27.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.319 6.845 26.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.891 6.567 28.946 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.060 5.666 28.159 1.00 0.00 H new ATOM 1165 N ARG A 24 3.893 10.392 26.426 1.00 0.00 N ATOM 1166 CA ARG A 24 2.594 10.947 26.916 1.00 0.00 C ATOM 1167 C ARG A 24 2.712 11.264 28.408 1.00 0.00 C ATOM 1168 O ARG A 24 3.689 10.934 29.050 1.00 0.00 O ATOM 1169 CB ARG A 24 1.490 9.902 26.725 1.00 0.00 C ATOM 1170 CG ARG A 24 1.213 9.671 25.232 1.00 0.00 C ATOM 1171 CD ARG A 24 0.255 10.735 24.691 1.00 0.00 C ATOM 1172 NE ARG A 24 -0.046 10.452 23.260 1.00 0.00 N ATOM 1173 CZ ARG A 24 -1.098 10.986 22.700 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.937 11.676 23.420 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -1.324 10.806 21.427 1.00 0.00 N ATOM 0 H ARG A 24 4.112 9.458 26.774 1.00 0.00 H new ATOM 0 HA ARG A 24 2.353 11.851 26.357 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.785 8.964 27.194 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.578 10.234 27.222 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.149 9.699 24.674 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.784 8.680 25.085 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.666 10.740 25.273 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.700 11.725 24.791 1.00 0.00 H new ATOM 0 HE ARG A 24 0.568 9.843 22.719 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.771 11.798 24.419 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.759 12.094 22.984 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.679 10.248 20.868 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.146 11.224 20.991 1.00 0.00 H new ATOM 1189 N ARG A 25 1.714 11.892 28.969 1.00 0.00 N ATOM 1190 CA ARG A 25 1.755 12.221 30.422 1.00 0.00 C ATOM 1191 C ARG A 25 0.332 12.185 30.983 1.00 0.00 C ATOM 1192 O ARG A 25 -0.624 11.980 30.260 1.00 0.00 O ATOM 1193 CB ARG A 25 2.384 13.601 30.627 1.00 0.00 C ATOM 1194 CG ARG A 25 1.416 14.710 30.197 1.00 0.00 C ATOM 1195 CD ARG A 25 2.165 16.054 30.124 1.00 0.00 C ATOM 1196 NE ARG A 25 1.332 17.138 30.733 1.00 0.00 N ATOM 1197 CZ ARG A 25 0.070 17.284 30.424 1.00 0.00 C ATOM 1198 NH1 ARG A 25 -0.473 16.557 29.487 1.00 0.00 N ATOM 1199 NH2 ARG A 25 -0.645 18.186 31.038 1.00 0.00 N ATOM 0 H ARG A 25 0.870 12.192 28.482 1.00 0.00 H new ATOM 0 HA ARG A 25 2.364 11.488 30.951 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.651 13.732 31.676 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.307 13.674 30.051 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.983 14.471 29.226 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.591 14.781 30.906 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.117 15.978 30.649 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.391 16.298 29.086 1.00 0.00 H new ATOM 0 HE ARG A 25 1.758 17.777 31.404 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.088 15.867 28.988 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.458 16.679 29.254 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.219 18.773 31.755 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.630 18.304 30.801 1.00 0.00 H new ATOM 1213 N ASN A 26 0.186 12.356 32.269 1.00 0.00 N ATOM 1214 CA ASN A 26 -1.169 12.306 32.897 1.00 0.00 C ATOM 1215 C ASN A 26 -1.272 13.430 33.941 1.00 0.00 C ATOM 1216 O ASN A 26 -0.291 13.743 34.582 1.00 0.00 O ATOM 1217 CB ASN A 26 -1.306 10.936 33.577 1.00 0.00 C ATOM 1218 CG ASN A 26 -2.612 10.845 34.361 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -2.679 11.362 35.555 1.00 0.00 O flip ATOM 1220 ND2 ASN A 26 -3.584 10.294 33.882 1.00 0.00 N flip ATOM 0 H ASN A 26 0.953 12.530 32.918 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.959 12.440 32.158 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.273 10.148 32.825 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.462 10.773 34.248 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.532 9.889 32.947 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.452 10.237 34.415 1.00 0.00 H new ATOM 1227 N PRO A 27 -2.429 14.043 34.112 1.00 0.00 N ATOM 1228 CA PRO A 27 -2.638 15.141 35.111 1.00 0.00 C ATOM 1229 C PRO A 27 -1.918 14.935 36.457 1.00 0.00 C ATOM 1230 O PRO A 27 -1.940 15.799 37.311 1.00 0.00 O ATOM 1231 CB PRO A 27 -4.153 15.134 35.315 1.00 0.00 C ATOM 1232 CG PRO A 27 -4.712 14.723 33.992 1.00 0.00 C ATOM 1233 CD PRO A 27 -3.676 13.788 33.353 1.00 0.00 C ATOM 0 HA PRO A 27 -2.224 16.080 34.743 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.443 14.437 36.101 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.517 16.118 35.610 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.669 14.215 34.116 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.892 15.593 33.360 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.982 12.745 33.431 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.547 14.004 32.293 1.00 0.00 H new ATOM 1241 N GLU A 28 -1.256 13.823 36.651 1.00 0.00 N ATOM 1242 CA GLU A 28 -0.514 13.594 37.927 1.00 0.00 C ATOM 1243 C GLU A 28 0.943 14.020 37.716 1.00 0.00 C ATOM 1244 O GLU A 28 1.687 14.240 38.652 1.00 0.00 O ATOM 1245 CB GLU A 28 -0.564 12.105 38.282 1.00 0.00 C ATOM 1246 CG GLU A 28 -1.980 11.723 38.719 1.00 0.00 C ATOM 1247 CD GLU A 28 -2.270 12.330 40.092 1.00 0.00 C ATOM 1248 OE1 GLU A 28 -1.330 12.508 40.848 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -3.428 12.601 40.367 1.00 0.00 O ATOM 0 H GLU A 28 -1.197 13.060 35.977 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.963 14.170 38.736 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.265 11.506 37.421 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.144 11.889 39.082 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.706 12.082 37.990 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.079 10.638 38.761 1.00 0.00 H new ATOM 1256 N GLY A 29 1.338 14.136 36.476 1.00 0.00 N ATOM 1257 CA GLY A 29 2.733 14.550 36.138 1.00 0.00 C ATOM 1258 C GLY A 29 3.635 13.323 35.973 1.00 0.00 C ATOM 1259 O GLY A 29 4.840 13.441 35.869 1.00 0.00 O ATOM 0 H GLY A 29 0.742 13.958 35.668 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.732 15.134 35.217 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.127 15.195 36.924 1.00 0.00 H new ATOM 1263 N GLN A 30 3.067 12.145 35.937 1.00 0.00 N ATOM 1264 CA GLN A 30 3.894 10.911 35.765 1.00 0.00 C ATOM 1265 C GLN A 30 4.093 10.626 34.261 1.00 0.00 C ATOM 1266 O GLN A 30 3.122 10.428 33.560 1.00 0.00 O ATOM 1267 CB GLN A 30 3.150 9.731 36.397 1.00 0.00 C ATOM 1268 CG GLN A 30 2.820 10.061 37.853 1.00 0.00 C ATOM 1269 CD GLN A 30 2.340 8.798 38.571 1.00 0.00 C ATOM 1270 OE1 GLN A 30 1.250 8.319 38.324 1.00 0.00 O ATOM 1271 NE2 GLN A 30 3.112 8.234 39.459 1.00 0.00 N ATOM 0 H GLN A 30 2.063 11.983 36.019 1.00 0.00 H new ATOM 0 HA GLN A 30 4.865 11.050 36.241 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.234 9.525 35.843 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.763 8.831 36.346 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.701 10.463 38.354 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.049 10.831 37.896 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.027 8.634 39.667 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.801 7.393 39.945 1.00 0.00 H new ATOM 1280 N PRO A 31 5.309 10.582 33.744 1.00 0.00 N ATOM 1281 CA PRO A 31 5.533 10.285 32.292 1.00 0.00 C ATOM 1282 C PRO A 31 4.952 8.925 31.884 1.00 0.00 C ATOM 1283 O PRO A 31 5.023 7.957 32.615 1.00 0.00 O ATOM 1284 CB PRO A 31 7.062 10.284 32.125 1.00 0.00 C ATOM 1285 CG PRO A 31 7.588 11.037 33.302 1.00 0.00 C ATOM 1286 CD PRO A 31 6.587 10.821 34.440 1.00 0.00 C ATOM 0 HA PRO A 31 5.036 11.020 31.658 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.454 9.267 32.101 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.356 10.761 31.190 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.578 10.676 33.582 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.689 12.097 33.070 1.00 0.00 H new ATOM 0 HD2 PRO A 31 6.868 9.972 35.064 1.00 0.00 H new ATOM 0 HD3 PRO A 31 6.530 11.692 35.093 1.00 0.00 H new ATOM 1294 N LEU A 32 4.376 8.858 30.714 1.00 0.00 N ATOM 1295 CA LEU A 32 3.774 7.577 30.231 1.00 0.00 C ATOM 1296 C LEU A 32 4.081 7.389 28.742 1.00 0.00 C ATOM 1297 O LEU A 32 4.159 8.340 27.988 1.00 0.00 O ATOM 1298 CB LEU A 32 2.255 7.642 30.413 1.00 0.00 C ATOM 1299 CG LEU A 32 1.892 7.793 31.897 1.00 0.00 C ATOM 1300 CD1 LEU A 32 0.404 8.115 32.020 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.195 6.496 32.660 1.00 0.00 C ATOM 0 H LEU A 32 4.295 9.641 30.065 1.00 0.00 H new ATOM 0 HA LEU A 32 4.191 6.745 30.799 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.852 8.482 29.848 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.797 6.738 30.012 1.00 0.00 H new ATOM 0 HG LEU A 32 2.487 8.600 32.325 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.141 8.223 33.072 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.188 9.045 31.494 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.181 7.307 31.581 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.931 6.622 33.710 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.612 5.679 32.235 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.257 6.265 32.578 1.00 0.00 H new ATOM 1313 N CYS A 33 4.230 6.165 28.312 1.00 0.00 N ATOM 1314 CA CYS A 33 4.502 5.901 26.873 1.00 0.00 C ATOM 1315 C CYS A 33 3.194 6.036 26.084 1.00 0.00 C ATOM 1316 O CYS A 33 2.192 6.487 26.605 1.00 0.00 O ATOM 1317 CB CYS A 33 5.101 4.498 26.709 1.00 0.00 C ATOM 1318 SG CYS A 33 3.836 3.225 26.941 1.00 0.00 S ATOM 0 H CYS A 33 4.174 5.334 28.900 1.00 0.00 H new ATOM 0 HA CYS A 33 5.221 6.624 26.488 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.543 4.401 25.717 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.904 4.354 27.432 1.00 0.00 H new ATOM 0 HG CYS A 33 4.302 2.286 27.710 1.00 0.00 H new ATOM 1323 N ASN A 34 3.197 5.672 24.831 1.00 0.00 N ATOM 1324 CA ASN A 34 1.958 5.802 24.006 1.00 0.00 C ATOM 1325 C ASN A 34 0.892 4.772 24.407 1.00 0.00 C ATOM 1326 O ASN A 34 -0.261 5.109 24.597 1.00 0.00 O ATOM 1327 CB ASN A 34 2.332 5.607 22.528 1.00 0.00 C ATOM 1328 CG ASN A 34 2.786 6.931 21.920 1.00 0.00 C ATOM 1329 OD1 ASN A 34 4.061 7.162 21.799 1.00 0.00 O flip ATOM 1330 ND2 ASN A 34 1.974 7.759 21.562 1.00 0.00 N flip ATOM 0 H ASN A 34 4.005 5.289 24.340 1.00 0.00 H new ATOM 0 HA ASN A 34 1.534 6.792 24.172 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.128 4.867 22.441 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.475 5.220 21.977 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.976 7.571 21.660 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.289 8.643 21.163 1.00 0.00 H new ATOM 1337 N ALA A 35 1.246 3.520 24.496 1.00 0.00 N ATOM 1338 CA ALA A 35 0.229 2.482 24.837 1.00 0.00 C ATOM 1339 C ALA A 35 -0.409 2.748 26.205 1.00 0.00 C ATOM 1340 O ALA A 35 -1.617 2.782 26.335 1.00 0.00 O ATOM 1341 CB ALA A 35 0.899 1.107 24.830 1.00 0.00 C ATOM 0 H ALA A 35 2.193 3.170 24.348 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.566 2.516 24.092 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.163 0.342 25.078 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.310 0.907 23.840 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.702 1.090 25.567 1.00 0.00 H new ATOM 1347 N CYS A 36 0.379 2.926 27.233 1.00 0.00 N ATOM 1348 CA CYS A 36 -0.211 3.173 28.586 1.00 0.00 C ATOM 1349 C CYS A 36 -1.064 4.441 28.580 1.00 0.00 C ATOM 1350 O CYS A 36 -2.165 4.461 29.093 1.00 0.00 O ATOM 1351 CB CYS A 36 0.895 3.375 29.623 1.00 0.00 C ATOM 1352 SG CYS A 36 1.877 1.873 29.798 1.00 0.00 S ATOM 0 H CYS A 36 1.398 2.912 27.197 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.820 2.305 28.837 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.537 4.203 29.323 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.456 3.644 30.584 1.00 0.00 H new ATOM 0 HG CYS A 36 3.105 2.188 30.085 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.553 5.507 28.032 1.00 0.00 N ATOM 1358 CA GLY A 37 -1.323 6.780 28.030 1.00 0.00 C ATOM 1359 C GLY A 37 -2.664 6.587 27.319 1.00 0.00 C ATOM 1360 O GLY A 37 -3.705 6.946 27.835 1.00 0.00 O ATOM 0 H GLY A 37 0.363 5.552 27.586 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.491 7.113 29.054 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.748 7.560 27.531 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.653 6.028 26.141 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.930 5.818 25.401 1.00 0.00 C ATOM 1366 C LEU A 38 -4.785 4.754 26.101 1.00 0.00 C ATOM 1367 O LEU A 38 -5.975 4.916 26.284 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.612 5.330 23.983 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.791 6.380 23.219 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -2.159 5.731 21.982 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.693 7.537 22.770 1.00 0.00 C ATOM 0 H LEU A 38 -1.814 5.707 25.658 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.478 6.760 25.371 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.058 4.393 24.031 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.539 5.125 23.447 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.014 6.766 23.878 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.576 6.475 21.439 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.507 4.915 22.293 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.944 5.342 21.334 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.098 8.274 22.230 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.477 7.155 22.117 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.145 8.006 23.644 1.00 0.00 H new ATOM 1383 N PHE A 39 -4.187 3.650 26.459 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.955 2.546 27.109 1.00 0.00 C ATOM 1385 C PHE A 39 -5.418 2.913 28.521 1.00 0.00 C ATOM 1386 O PHE A 39 -6.552 2.681 28.887 1.00 0.00 O ATOM 1387 CB PHE A 39 -4.067 1.300 27.179 1.00 0.00 C ATOM 1388 CG PHE A 39 -4.825 0.171 27.838 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -4.926 0.120 29.234 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.430 -0.822 27.056 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -5.632 -0.922 29.848 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.135 -1.865 27.671 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.236 -1.914 29.067 1.00 0.00 C ATOM 0 H PHE A 39 -3.193 3.463 26.329 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.846 2.360 26.509 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.757 1.006 26.176 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.160 1.519 27.742 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.459 0.885 29.837 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.353 -0.783 25.979 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.710 -0.960 30.924 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.600 -2.631 27.069 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.780 -2.718 29.541 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.549 3.441 29.333 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.945 3.767 30.732 1.00 0.00 C ATOM 1405 C LEU A 40 -6.099 4.776 30.741 1.00 0.00 C ATOM 1406 O LEU A 40 -7.077 4.606 31.441 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.727 4.341 31.459 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.991 4.427 32.969 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -3.920 3.033 33.612 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.932 5.333 33.602 1.00 0.00 C ATOM 0 H LEU A 40 -3.583 3.661 29.091 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.287 2.865 31.239 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.856 3.713 31.272 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.496 5.332 31.067 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.988 4.834 33.135 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.110 3.116 34.682 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.670 2.385 33.159 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.929 2.608 33.451 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.108 5.403 34.675 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.941 4.915 33.423 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.992 6.327 33.159 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.996 5.827 29.978 1.00 0.00 N ATOM 1423 CA LYS A 41 -7.089 6.842 29.955 1.00 0.00 C ATOM 1424 C LYS A 41 -8.392 6.206 29.458 1.00 0.00 C ATOM 1425 O LYS A 41 -9.448 6.412 30.023 1.00 0.00 O ATOM 1426 CB LYS A 41 -6.677 7.987 29.027 1.00 0.00 C ATOM 1427 CG LYS A 41 -7.671 9.148 29.143 1.00 0.00 C ATOM 1428 CD LYS A 41 -7.295 10.246 28.139 1.00 0.00 C ATOM 1429 CE LYS A 41 -5.889 10.780 28.437 1.00 0.00 C ATOM 1430 NZ LYS A 41 -4.879 9.929 27.747 1.00 0.00 N ATOM 0 H LYS A 41 -5.203 6.029 29.369 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.256 7.224 30.962 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.675 8.330 29.284 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.639 7.633 27.997 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.684 8.794 28.949 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.662 9.549 30.157 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.333 9.849 27.124 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.019 11.059 28.191 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.801 11.813 28.100 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.708 10.779 29.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.293 9.443 28.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.364 9.224 27.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.274 10.525 27.147 1.00 0.00 H new ATOM 1444 N LEU A 42 -8.335 5.448 28.396 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.581 4.823 27.868 1.00 0.00 C ATOM 1446 C LEU A 42 -10.073 3.716 28.808 1.00 0.00 C ATOM 1447 O LEU A 42 -11.260 3.553 29.009 1.00 0.00 O ATOM 1448 CB LEU A 42 -9.309 4.239 26.479 1.00 0.00 C ATOM 1449 CG LEU A 42 -9.016 5.382 25.500 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -8.517 4.804 24.172 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -10.282 6.234 25.271 1.00 0.00 C ATOM 0 H LEU A 42 -7.485 5.236 27.874 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.355 5.587 27.801 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.463 3.553 26.519 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.170 3.664 26.138 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.244 6.024 25.924 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.309 5.617 23.477 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.606 4.231 24.344 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.281 4.152 23.749 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.056 7.041 24.574 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.072 5.607 24.858 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.613 6.656 26.220 1.00 0.00 H new ATOM 1463 N HIS A 43 -9.184 2.926 29.351 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.624 1.804 30.237 1.00 0.00 C ATOM 1465 C HIS A 43 -9.835 2.278 31.684 1.00 0.00 C ATOM 1466 O HIS A 43 -10.834 1.961 32.299 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.550 0.713 30.196 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.611 0.010 28.865 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -8.076 0.557 27.707 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.157 -1.193 28.493 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.312 -0.309 26.704 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -8.967 -1.391 27.128 1.00 0.00 N ATOM 0 H HIS A 43 -8.176 3.007 29.221 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.579 1.419 29.879 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.563 1.151 30.345 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.707 -0.000 31.005 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.592 1.452 27.630 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.658 -1.881 29.158 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.008 -0.148 25.680 1.00 0.00 H new ATOM 1480 N GLY A 44 -8.926 3.035 32.236 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.104 3.525 33.638 1.00 0.00 C ATOM 1482 C GLY A 44 -8.947 2.387 34.653 1.00 0.00 C ATOM 1483 O GLY A 44 -9.179 2.575 35.832 1.00 0.00 O ATOM 0 H GLY A 44 -8.066 3.337 31.778 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.372 4.305 33.848 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.090 3.976 33.745 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.560 1.214 34.221 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.395 0.068 35.172 1.00 0.00 C ATOM 1489 C VAL A 45 -7.103 -0.687 34.852 1.00 0.00 C ATOM 1490 O VAL A 45 -6.711 -0.814 33.709 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.587 -0.884 35.040 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -10.811 -0.275 35.730 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -9.896 -1.107 33.557 1.00 0.00 C ATOM 0 H VAL A 45 -8.350 0.998 33.247 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.346 0.452 36.191 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.344 -1.837 35.511 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.658 -0.954 35.635 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.591 -0.115 36.786 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.056 0.678 35.262 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.744 -1.785 33.460 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.138 -0.153 33.088 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.026 -1.542 33.066 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.427 -1.168 35.859 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.146 -1.896 35.628 1.00 0.00 C ATOM 1505 C VAL A 46 -5.360 -3.064 34.659 1.00 0.00 C ATOM 1506 O VAL A 46 -6.420 -3.656 34.600 1.00 0.00 O ATOM 1507 CB VAL A 46 -4.610 -2.411 36.966 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -4.164 -1.225 37.822 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -5.712 -3.170 37.706 1.00 0.00 C ATOM 0 H VAL A 46 -6.708 -1.088 36.836 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.421 -1.214 35.184 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.767 -3.077 36.783 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.782 -1.588 38.776 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.379 -0.676 37.302 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.013 -0.565 37.999 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.326 -3.535 38.658 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.554 -2.503 37.888 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.042 -4.014 37.101 1.00 0.00 H new ATOM 1519 N ARG A 47 -4.349 -3.393 33.895 1.00 0.00 N ATOM 1520 CA ARG A 47 -4.459 -4.517 32.918 1.00 0.00 C ATOM 1521 C ARG A 47 -3.062 -5.144 32.759 1.00 0.00 C ATOM 1522 O ARG A 47 -2.089 -4.430 32.623 1.00 0.00 O ATOM 1523 CB ARG A 47 -4.945 -3.951 31.571 1.00 0.00 C ATOM 1524 CG ARG A 47 -5.125 -5.058 30.521 1.00 0.00 C ATOM 1525 CD ARG A 47 -6.456 -5.801 30.731 1.00 0.00 C ATOM 1526 NE ARG A 47 -6.301 -7.217 30.300 1.00 0.00 N ATOM 1527 CZ ARG A 47 -7.179 -8.111 30.665 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -8.206 -7.764 31.393 1.00 0.00 N ATOM 1529 NH2 ARG A 47 -7.026 -9.357 30.306 1.00 0.00 N ATOM 0 H ARG A 47 -3.443 -2.925 33.907 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.165 -5.273 33.261 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.891 -3.429 31.716 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.228 -3.216 31.205 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.099 -4.624 29.521 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.296 -5.763 30.584 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.748 -5.758 31.780 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.249 -5.319 30.159 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.508 -7.489 29.719 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.324 -6.792 31.678 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.890 -8.465 31.677 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.222 -9.630 29.741 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.711 -10.057 30.590 1.00 0.00 H new ATOM 1543 N PRO A 48 -2.941 -6.455 32.781 1.00 0.00 N ATOM 1544 CA PRO A 48 -1.625 -7.136 32.646 1.00 0.00 C ATOM 1545 C PRO A 48 -0.649 -6.387 31.737 1.00 0.00 C ATOM 1546 O PRO A 48 -0.670 -6.518 30.531 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.003 -8.488 32.047 1.00 0.00 C ATOM 1548 CG PRO A 48 -3.341 -8.798 32.650 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.022 -7.447 32.940 1.00 0.00 C ATOM 0 HA PRO A 48 -1.100 -7.201 33.599 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.058 -8.440 30.959 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -1.268 -9.253 32.296 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.944 -9.396 31.967 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.227 -9.378 33.566 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.842 -7.257 32.247 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -4.442 -7.420 33.945 1.00 0.00 H new ATOM 1557 N LEU A 49 0.221 -5.621 32.324 1.00 0.00 N ATOM 1558 CA LEU A 49 1.224 -4.876 31.521 1.00 0.00 C ATOM 1559 C LEU A 49 2.026 -5.886 30.692 1.00 0.00 C ATOM 1560 O LEU A 49 2.702 -5.534 29.745 1.00 0.00 O ATOM 1561 CB LEU A 49 2.145 -4.107 32.472 1.00 0.00 C ATOM 1562 CG LEU A 49 1.332 -3.072 33.265 1.00 0.00 C ATOM 1563 CD1 LEU A 49 2.178 -2.554 34.434 1.00 0.00 C ATOM 1564 CD2 LEU A 49 0.932 -1.892 32.362 1.00 0.00 C ATOM 0 H LEU A 49 0.281 -5.478 33.332 1.00 0.00 H new ATOM 0 HA LEU A 49 0.739 -4.166 30.851 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.635 -4.799 33.157 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.932 -3.608 31.906 1.00 0.00 H new ATOM 0 HG LEU A 49 0.426 -3.548 33.641 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.605 -1.819 35.000 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.446 -3.386 35.086 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.085 -2.089 34.048 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.357 -1.169 32.941 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.829 -1.412 31.971 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.326 -2.257 31.533 1.00 0.00 H new ATOM 1576 N SER A 50 1.953 -7.143 31.044 1.00 0.00 N ATOM 1577 CA SER A 50 2.711 -8.179 30.281 1.00 0.00 C ATOM 1578 C SER A 50 2.325 -8.129 28.800 1.00 0.00 C ATOM 1579 O SER A 50 2.899 -8.820 27.982 1.00 0.00 O ATOM 1580 CB SER A 50 2.404 -9.573 30.838 1.00 0.00 C ATOM 1581 OG SER A 50 3.112 -9.760 32.056 1.00 0.00 O ATOM 0 H SER A 50 1.402 -7.497 31.826 1.00 0.00 H new ATOM 0 HA SER A 50 3.777 -7.975 30.384 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.333 -9.682 31.007 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.692 -10.337 30.116 1.00 0.00 H new ATOM 0 HG SER A 50 2.916 -10.650 32.415 1.00 0.00 H new ATOM 1587 N LEU A 51 1.372 -7.314 28.436 1.00 0.00 N ATOM 1588 CA LEU A 51 0.996 -7.235 26.995 1.00 0.00 C ATOM 1589 C LEU A 51 2.082 -6.462 26.254 1.00 0.00 C ATOM 1590 O LEU A 51 2.464 -6.800 25.150 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.321 -6.477 26.843 1.00 0.00 C ATOM 1592 CG LEU A 51 -1.447 -7.223 27.567 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -2.618 -6.266 27.784 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -1.920 -8.418 26.730 1.00 0.00 C ATOM 0 H LEU A 51 0.844 -6.707 29.064 1.00 0.00 H new ATOM 0 HA LEU A 51 0.888 -8.242 26.591 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.220 -5.472 27.251 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.567 -6.369 25.787 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.075 -7.588 28.524 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.424 -6.788 28.299 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.290 -5.420 28.388 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.977 -5.905 26.820 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.720 -8.938 27.257 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.290 -8.064 25.768 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.087 -9.102 26.569 1.00 0.00 H new ATOM 1606 N LYS A 52 2.582 -5.423 26.861 1.00 0.00 N ATOM 1607 CA LYS A 52 3.647 -4.614 26.205 1.00 0.00 C ATOM 1608 C LYS A 52 4.784 -5.549 25.767 1.00 0.00 C ATOM 1609 O LYS A 52 4.854 -6.689 26.181 1.00 0.00 O ATOM 1610 CB LYS A 52 4.137 -3.554 27.203 1.00 0.00 C ATOM 1611 CG LYS A 52 5.241 -2.667 26.603 1.00 0.00 C ATOM 1612 CD LYS A 52 4.744 -1.962 25.330 1.00 0.00 C ATOM 1613 CE LYS A 52 5.702 -0.831 24.939 1.00 0.00 C ATOM 1614 NZ LYS A 52 5.637 -0.619 23.465 1.00 0.00 N ATOM 0 H LYS A 52 2.299 -5.098 27.785 1.00 0.00 H new ATOM 0 HA LYS A 52 3.268 -4.105 25.319 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.298 -2.930 27.511 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.514 -4.046 28.099 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.555 -1.924 27.336 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.115 -3.275 26.370 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.667 -2.681 24.514 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.744 -1.560 25.495 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.433 0.087 25.462 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.720 -1.081 25.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.286 0.148 23.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.913 -1.494 22.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.666 -0.363 23.194 1.00 0.00 H new ATOM 1628 N THR A 53 5.682 -5.073 24.949 1.00 0.00 N ATOM 1629 CA THR A 53 6.829 -5.910 24.493 1.00 0.00 C ATOM 1630 C THR A 53 7.999 -4.981 24.176 1.00 0.00 C ATOM 1631 O THR A 53 7.868 -3.775 24.238 1.00 0.00 O ATOM 1632 CB THR A 53 6.435 -6.682 23.232 1.00 0.00 C ATOM 1633 OG1 THR A 53 7.610 -7.090 22.544 1.00 0.00 O ATOM 1634 CG2 THR A 53 5.591 -5.783 22.327 1.00 0.00 C ATOM 0 H THR A 53 5.670 -4.126 24.571 1.00 0.00 H new ATOM 0 HA THR A 53 7.108 -6.622 25.270 1.00 0.00 H new ATOM 0 HB THR A 53 5.853 -7.562 23.507 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.460 -7.031 21.577 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.310 -6.332 21.428 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.692 -5.473 22.859 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.169 -4.902 22.048 1.00 0.00 H new ATOM 1642 N ASP A 54 9.140 -5.512 23.827 1.00 0.00 N ATOM 1643 CA ASP A 54 10.299 -4.630 23.501 1.00 0.00 C ATOM 1644 C ASP A 54 10.314 -4.389 21.991 1.00 0.00 C ATOM 1645 O ASP A 54 11.185 -3.725 21.466 1.00 0.00 O ATOM 1646 CB ASP A 54 11.608 -5.309 23.908 1.00 0.00 C ATOM 1647 CG ASP A 54 11.621 -5.535 25.421 1.00 0.00 C ATOM 1648 OD1 ASP A 54 10.775 -4.969 26.092 1.00 0.00 O ATOM 1649 OD2 ASP A 54 12.480 -6.269 25.882 1.00 0.00 O ATOM 0 H ASP A 54 9.320 -6.513 23.754 1.00 0.00 H new ATOM 0 HA ASP A 54 10.204 -3.688 24.041 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.713 -6.261 23.387 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.456 -4.690 23.615 1.00 0.00 H new ATOM 1654 N VAL A 55 9.342 -4.924 21.295 1.00 0.00 N ATOM 1655 CA VAL A 55 9.259 -4.739 19.813 1.00 0.00 C ATOM 1656 C VAL A 55 7.938 -4.032 19.489 1.00 0.00 C ATOM 1657 O VAL A 55 6.900 -4.381 20.014 1.00 0.00 O ATOM 1658 CB VAL A 55 9.294 -6.107 19.122 1.00 0.00 C ATOM 1659 CG1 VAL A 55 9.365 -5.911 17.607 1.00 0.00 C ATOM 1660 CG2 VAL A 55 10.526 -6.889 19.593 1.00 0.00 C ATOM 0 H VAL A 55 8.593 -5.488 21.696 1.00 0.00 H new ATOM 0 HA VAL A 55 10.101 -4.143 19.460 1.00 0.00 H new ATOM 0 HB VAL A 55 8.392 -6.664 19.376 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.390 -6.883 17.115 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.489 -5.356 17.270 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.267 -5.353 17.354 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.550 -7.861 19.101 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.429 -6.332 19.341 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.477 -7.030 20.673 1.00 0.00 H new ATOM 1670 N ILE A 56 7.968 -3.048 18.623 1.00 0.00 N ATOM 1671 CA ILE A 56 6.716 -2.313 18.252 1.00 0.00 C ATOM 1672 C ILE A 56 6.387 -2.611 16.788 1.00 0.00 C ATOM 1673 O ILE A 56 7.233 -2.505 15.920 1.00 0.00 O ATOM 1674 CB ILE A 56 6.919 -0.803 18.425 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.277 -0.506 19.885 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.616 -0.077 18.069 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.726 0.952 20.030 1.00 0.00 C ATOM 0 H ILE A 56 8.812 -2.720 18.154 1.00 0.00 H new ATOM 0 HA ILE A 56 5.900 -2.637 18.898 1.00 0.00 H new ATOM 0 HB ILE A 56 7.723 -0.462 17.772 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.415 -0.695 20.525 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.072 -1.174 20.216 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.753 0.998 18.190 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.349 -0.295 17.035 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.818 -0.417 18.729 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.978 1.153 21.071 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.601 1.127 19.404 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.918 1.614 19.718 1.00 0.00 H new ATOM 1689 N LYS A 57 5.174 -2.991 16.498 1.00 0.00 N ATOM 1690 CA LYS A 57 4.814 -3.302 15.086 1.00 0.00 C ATOM 1691 C LYS A 57 4.550 -1.992 14.338 1.00 0.00 C ATOM 1692 O LYS A 57 3.861 -1.116 14.823 1.00 0.00 O ATOM 1693 CB LYS A 57 3.552 -4.166 15.062 1.00 0.00 C ATOM 1694 CG LYS A 57 3.317 -4.704 13.650 1.00 0.00 C ATOM 1695 CD LYS A 57 2.049 -5.562 13.647 1.00 0.00 C ATOM 1696 CE LYS A 57 1.790 -6.118 12.245 1.00 0.00 C ATOM 1697 NZ LYS A 57 2.831 -7.129 11.906 1.00 0.00 N ATOM 0 H LYS A 57 4.419 -3.100 17.175 1.00 0.00 H new ATOM 0 HA LYS A 57 5.631 -3.842 14.607 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.654 -4.994 15.764 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.692 -3.579 15.385 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.215 -3.879 12.945 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.173 -5.296 13.326 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.154 -6.382 14.357 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.197 -4.966 13.973 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.800 -6.572 12.200 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.803 -5.309 11.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.529 -7.672 11.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.729 -6.647 11.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.962 -7.775 12.710 1.00 0.00 H new ATOM 1711 N LYS A 58 5.097 -1.848 13.162 1.00 0.00 N ATOM 1712 CA LYS A 58 4.881 -0.593 12.383 1.00 0.00 C ATOM 1713 C LYS A 58 3.597 -0.713 11.552 1.00 0.00 C ATOM 1714 O LYS A 58 3.424 -1.650 10.797 1.00 0.00 O ATOM 1715 CB LYS A 58 6.072 -0.371 11.445 1.00 0.00 C ATOM 1716 CG LYS A 58 7.347 -0.132 12.261 1.00 0.00 C ATOM 1717 CD LYS A 58 8.561 -0.129 11.322 1.00 0.00 C ATOM 1718 CE LYS A 58 8.462 1.049 10.346 1.00 0.00 C ATOM 1719 NZ LYS A 58 9.806 1.348 9.774 1.00 0.00 N ATOM 0 H LYS A 58 5.685 -2.545 12.705 1.00 0.00 H new ATOM 0 HA LYS A 58 4.789 0.248 13.070 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.202 -1.239 10.798 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.880 0.484 10.797 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.280 0.819 12.790 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.460 -0.910 13.016 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.481 -0.055 11.902 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.607 -1.068 10.770 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.761 0.812 9.546 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.073 1.927 10.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.732 2.148 9.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.463 1.593 10.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.162 0.512 9.268 1.00 0.00 H new ATOM 1733 N ARG A 59 2.693 0.226 11.682 1.00 0.00 N ATOM 1734 CA ARG A 59 1.416 0.169 10.905 1.00 0.00 C ATOM 1735 C ARG A 59 1.590 0.961 9.605 1.00 0.00 C ATOM 1736 O ARG A 59 2.641 1.515 9.351 1.00 0.00 O ATOM 1737 CB ARG A 59 0.290 0.776 11.750 1.00 0.00 C ATOM 1738 CG ARG A 59 -0.020 -0.168 12.919 1.00 0.00 C ATOM 1739 CD ARG A 59 -1.137 0.411 13.791 1.00 0.00 C ATOM 1740 NE ARG A 59 -1.137 -0.292 15.115 1.00 0.00 N ATOM 1741 CZ ARG A 59 -1.324 -1.580 15.200 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -1.639 -2.265 14.138 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -1.230 -2.182 16.355 1.00 0.00 N ATOM 0 H ARG A 59 2.785 1.035 12.297 1.00 0.00 H new ATOM 0 HA ARG A 59 1.163 -0.864 10.664 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.587 1.755 12.125 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.601 0.925 11.140 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.317 -1.145 12.537 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.877 -0.320 13.519 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.987 1.481 13.933 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.102 0.287 13.299 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.988 0.248 15.967 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.740 -1.794 13.239 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.785 -3.272 14.206 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.010 -1.645 17.194 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.377 -3.189 16.418 1.00 0.00 H new ATOM 1757 N ASN A 60 0.601 0.975 8.752 1.00 0.00 N ATOM 1758 CA ASN A 60 0.758 1.684 7.448 1.00 0.00 C ATOM 1759 C ASN A 60 0.725 3.198 7.651 1.00 0.00 C ATOM 1760 O ASN A 60 0.539 3.690 8.746 1.00 0.00 O ATOM 1761 CB ASN A 60 -0.368 1.273 6.495 1.00 0.00 C ATOM 1762 CG ASN A 60 -0.159 -0.181 6.065 1.00 0.00 C ATOM 1763 OD1 ASN A 60 0.871 -0.524 5.520 1.00 0.00 O ATOM 1764 ND2 ASN A 60 -1.102 -1.054 6.290 1.00 0.00 N ATOM 0 H ASN A 60 -0.304 0.529 8.900 1.00 0.00 H new ATOM 0 HA ASN A 60 1.721 1.408 7.019 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.335 1.384 6.986 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.377 1.925 5.622 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.975 -2.026 6.008 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.966 -0.765 6.748 1.00 0.00 H new