USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=14 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 155:sc= 1.69 USER MOD Set 1.2: A 15 CYS SG : rot -60:sc= 0.507! USER MOD Set 1.3: A 17 THR OG1 : rot 88:sc= -0.526! USER MOD Set 1.4: A 33 CYS SG : rot -132:sc= 1.04 USER MOD Set 1.5: A 36 CYS SG : rot 145:sc= 0.166 USER MOD Set 1.6: A 52 LYS NZ :NH3+ -154:sc= 0.826 (180deg=-0.191) USER MOD Set 2.1: A 20 THR OG1 : rot -122:sc= -0.0648 USER MOD Set 2.2: A 34 ASN : amide:sc= -10.5! K(o=-11!,f=-2.9) USER MOD Single : A 11 THR OG1 : rot 40:sc= 0.0187 USER MOD Single : A 13 THR OG1 : rot 150:sc= 0.0162 USER MOD Single : A 14 ASN : amide:sc= -2.04 K(o=-2,f=-3.9!) USER MOD Single : A 18 GLN : amide:sc= -3.29! C(o=-3.3!,f=-3.6!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -11.1! K(o=-11!,f=-2.1) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -7.05! C(o=-7!,f=-8.1!) USER MOD Single : A 50 SER OG : rot -30:sc= 0.0902 USER MOD Single : A 53 THR OG1 : rot -145:sc= 0.151 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 157:sc= -0.0184 (180deg=-0.545) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 11.777 7.549 31.284 1.00 0.00 N ATOM 971 CA THR A 11 11.398 6.102 31.322 1.00 0.00 C ATOM 972 C THR A 11 9.927 5.962 31.725 1.00 0.00 C ATOM 973 O THR A 11 9.451 6.648 32.604 1.00 0.00 O ATOM 974 CB THR A 11 12.267 5.393 32.361 1.00 0.00 C ATOM 975 OG1 THR A 11 13.606 5.341 31.895 1.00 0.00 O ATOM 976 CG2 THR A 11 11.745 3.974 32.592 1.00 0.00 C ATOM 0 HA THR A 11 11.547 5.660 30.337 1.00 0.00 H new ATOM 0 HB THR A 11 12.230 5.942 33.302 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.832 6.186 31.453 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.368 3.473 33.333 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.717 4.019 32.952 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.777 3.417 31.655 1.00 0.00 H new ATOM 984 N CYS A 12 9.205 5.072 31.104 1.00 0.00 N ATOM 985 CA CYS A 12 7.771 4.906 31.473 1.00 0.00 C ATOM 986 C CYS A 12 7.647 4.393 32.907 1.00 0.00 C ATOM 987 O CYS A 12 7.880 3.232 33.183 1.00 0.00 O ATOM 988 CB CYS A 12 7.111 3.911 30.527 1.00 0.00 C ATOM 989 SG CYS A 12 5.316 4.137 30.587 1.00 0.00 S ATOM 0 H CYS A 12 9.541 4.457 30.363 1.00 0.00 H new ATOM 0 HA CYS A 12 7.277 5.874 31.396 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.475 4.060 29.510 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.371 2.892 30.812 1.00 0.00 H new ATOM 0 HG CYS A 12 4.789 3.723 29.473 1.00 0.00 H new ATOM 994 N THR A 13 7.250 5.243 33.811 1.00 0.00 N ATOM 995 CA THR A 13 7.085 4.820 35.229 1.00 0.00 C ATOM 996 C THR A 13 5.991 3.752 35.333 1.00 0.00 C ATOM 997 O THR A 13 5.798 3.168 36.380 1.00 0.00 O ATOM 998 CB THR A 13 6.680 6.026 36.084 1.00 0.00 C ATOM 999 OG1 THR A 13 5.672 6.762 35.406 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.889 6.931 36.322 1.00 0.00 C ATOM 0 H THR A 13 7.031 6.222 33.627 1.00 0.00 H new ATOM 0 HA THR A 13 8.031 4.412 35.585 1.00 0.00 H new ATOM 0 HB THR A 13 6.303 5.673 37.044 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.088 7.197 36.062 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.590 7.785 36.930 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.667 6.370 36.840 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.273 7.284 35.365 1.00 0.00 H new ATOM 1008 N ASN A 14 5.253 3.508 34.275 1.00 0.00 N ATOM 1009 CA ASN A 14 4.151 2.494 34.338 1.00 0.00 C ATOM 1010 C ASN A 14 4.581 1.162 33.704 1.00 0.00 C ATOM 1011 O ASN A 14 4.167 0.112 34.151 1.00 0.00 O ATOM 1012 CB ASN A 14 2.917 3.028 33.595 1.00 0.00 C ATOM 1013 CG ASN A 14 2.263 4.159 34.397 1.00 0.00 C ATOM 1014 OD1 ASN A 14 2.805 4.614 35.385 1.00 0.00 O ATOM 1015 ND2 ASN A 14 1.100 4.621 34.015 1.00 0.00 N ATOM 0 H ASN A 14 5.366 3.967 33.371 1.00 0.00 H new ATOM 0 HA ASN A 14 3.914 2.318 35.387 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.207 3.392 32.609 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.200 2.222 33.439 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.647 5.364 34.547 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.647 4.238 33.186 1.00 0.00 H new ATOM 1022 N CYS A 15 5.393 1.175 32.675 1.00 0.00 N ATOM 1023 CA CYS A 15 5.815 -0.120 32.043 1.00 0.00 C ATOM 1024 C CYS A 15 7.303 -0.084 31.711 1.00 0.00 C ATOM 1025 O CYS A 15 7.819 -0.966 31.051 1.00 0.00 O ATOM 1026 CB CYS A 15 5.002 -0.372 30.767 1.00 0.00 C ATOM 1027 SG CYS A 15 5.645 0.628 29.400 1.00 0.00 S ATOM 0 H CYS A 15 5.780 2.016 32.247 1.00 0.00 H new ATOM 0 HA CYS A 15 5.630 -0.930 32.749 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.044 -1.429 30.504 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.954 -0.129 30.942 1.00 0.00 H new ATOM 0 HG CYS A 15 5.574 1.888 29.713 1.00 0.00 H new ATOM 1032 N PHE A 16 8.000 0.913 32.173 1.00 0.00 N ATOM 1033 CA PHE A 16 9.462 1.001 31.910 1.00 0.00 C ATOM 1034 C PHE A 16 9.769 0.990 30.405 1.00 0.00 C ATOM 1035 O PHE A 16 10.919 0.953 30.016 1.00 0.00 O ATOM 1036 CB PHE A 16 10.178 -0.173 32.587 1.00 0.00 C ATOM 1037 CG PHE A 16 9.910 -0.143 34.077 1.00 0.00 C ATOM 1038 CD1 PHE A 16 10.751 0.589 34.927 1.00 0.00 C ATOM 1039 CD2 PHE A 16 8.821 -0.847 34.610 1.00 0.00 C ATOM 1040 CE1 PHE A 16 10.504 0.617 36.306 1.00 0.00 C ATOM 1041 CE2 PHE A 16 8.576 -0.817 35.990 1.00 0.00 C ATOM 1042 CZ PHE A 16 9.416 -0.085 36.837 1.00 0.00 C ATOM 0 H PHE A 16 7.616 1.679 32.727 1.00 0.00 H new ATOM 0 HA PHE A 16 9.820 1.945 32.320 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.831 -1.116 32.164 1.00 0.00 H new ATOM 0 HB3 PHE A 16 11.250 -0.115 32.399 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.590 1.132 34.518 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.171 -1.412 33.958 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.154 1.181 36.959 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.737 -1.360 36.400 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.225 -0.062 37.900 1.00 0.00 H new ATOM 1052 N THR A 17 8.786 1.002 29.537 1.00 0.00 N ATOM 1053 CA THR A 17 9.117 0.971 28.081 1.00 0.00 C ATOM 1054 C THR A 17 10.119 2.090 27.780 1.00 0.00 C ATOM 1055 O THR A 17 9.896 3.229 28.118 1.00 0.00 O ATOM 1056 CB THR A 17 7.841 1.184 27.240 1.00 0.00 C ATOM 1057 OG1 THR A 17 7.057 0.002 27.266 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.216 1.499 25.788 1.00 0.00 C ATOM 0 H THR A 17 7.793 1.031 29.767 1.00 0.00 H new ATOM 0 HA THR A 17 9.547 0.002 27.827 1.00 0.00 H new ATOM 0 HB THR A 17 7.276 2.017 27.658 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.459 0.023 28.042 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.309 1.648 25.202 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.821 2.405 25.757 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.785 0.668 25.371 1.00 0.00 H new ATOM 1066 N GLN A 18 11.223 1.765 27.145 1.00 0.00 N ATOM 1067 CA GLN A 18 12.255 2.798 26.808 1.00 0.00 C ATOM 1068 C GLN A 18 12.131 3.160 25.325 1.00 0.00 C ATOM 1069 O GLN A 18 12.644 4.168 24.886 1.00 0.00 O ATOM 1070 CB GLN A 18 13.657 2.236 27.092 1.00 0.00 C ATOM 1071 CG GLN A 18 14.729 3.328 26.930 1.00 0.00 C ATOM 1072 CD GLN A 18 15.136 3.468 25.461 1.00 0.00 C ATOM 1073 OE1 GLN A 18 15.136 4.553 24.913 1.00 0.00 O ATOM 1074 NE2 GLN A 18 15.503 2.404 24.805 1.00 0.00 N ATOM 0 H GLN A 18 11.454 0.818 26.844 1.00 0.00 H new ATOM 0 HA GLN A 18 12.100 3.689 27.416 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.693 1.832 28.104 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.867 1.411 26.412 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.346 4.279 27.299 1.00 0.00 H new ATOM 0 HG3 GLN A 18 15.602 3.080 27.533 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.502 1.495 25.267 1.00 0.00 H new ATOM 0 HE22 GLN A 18 15.791 2.480 23.830 1.00 0.00 H new ATOM 1083 N THR A 19 11.446 2.351 24.555 1.00 0.00 N ATOM 1084 CA THR A 19 11.272 2.647 23.097 1.00 0.00 C ATOM 1085 C THR A 19 9.810 3.052 22.846 1.00 0.00 C ATOM 1086 O THR A 19 8.894 2.322 23.169 1.00 0.00 O ATOM 1087 CB THR A 19 11.629 1.394 22.275 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.935 0.951 22.627 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.604 1.719 20.778 1.00 0.00 C ATOM 0 H THR A 19 10.997 1.493 24.875 1.00 0.00 H new ATOM 0 HA THR A 19 11.930 3.462 22.795 1.00 0.00 H new ATOM 0 HB THR A 19 10.898 0.614 22.489 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.161 0.153 22.105 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.858 0.826 20.207 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.607 2.059 20.496 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.329 2.504 20.564 1.00 0.00 H new ATOM 1097 N THR A 20 9.583 4.212 22.278 1.00 0.00 N ATOM 1098 CA THR A 20 8.181 4.662 22.012 1.00 0.00 C ATOM 1099 C THR A 20 8.199 5.792 20.975 1.00 0.00 C ATOM 1100 O THR A 20 9.116 6.589 20.948 1.00 0.00 O ATOM 1101 CB THR A 20 7.567 5.198 23.311 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.270 5.724 23.053 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.460 6.307 23.871 1.00 0.00 C ATOM 0 H THR A 20 10.309 4.867 21.987 1.00 0.00 H new ATOM 0 HA THR A 20 7.595 3.822 21.639 1.00 0.00 H new ATOM 0 HB THR A 20 7.488 4.386 24.033 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.238 6.665 23.326 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.027 6.691 24.795 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.453 5.906 24.075 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.537 7.115 23.143 1.00 0.00 H new ATOM 1111 N PRO A 21 7.195 5.882 20.137 1.00 0.00 N ATOM 1112 CA PRO A 21 7.109 6.963 19.110 1.00 0.00 C ATOM 1113 C PRO A 21 6.876 8.341 19.745 1.00 0.00 C ATOM 1114 O PRO A 21 7.089 9.366 19.128 1.00 0.00 O ATOM 1115 CB PRO A 21 5.914 6.545 18.238 1.00 0.00 C ATOM 1116 CG PRO A 21 5.068 5.691 19.127 1.00 0.00 C ATOM 1117 CD PRO A 21 6.037 4.970 20.061 1.00 0.00 C ATOM 0 HA PRO A 21 8.034 7.067 18.543 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.361 7.415 17.883 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.242 5.994 17.357 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.359 6.297 19.692 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.484 4.978 18.544 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.595 4.801 21.043 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.321 3.994 19.667 1.00 0.00 H new ATOM 1125 N VAL A 22 6.422 8.376 20.969 1.00 0.00 N ATOM 1126 CA VAL A 22 6.167 9.690 21.623 1.00 0.00 C ATOM 1127 C VAL A 22 5.936 9.486 23.123 1.00 0.00 C ATOM 1128 O VAL A 22 5.347 8.511 23.547 1.00 0.00 O ATOM 1129 CB VAL A 22 4.931 10.337 20.993 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.748 9.378 21.080 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.578 11.626 21.739 1.00 0.00 C ATOM 0 H VAL A 22 6.218 7.556 21.541 1.00 0.00 H new ATOM 0 HA VAL A 22 7.030 10.340 21.482 1.00 0.00 H new ATOM 0 HB VAL A 22 5.148 10.565 19.949 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.870 9.842 20.631 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.986 8.458 20.546 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.542 9.148 22.125 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.697 12.080 21.284 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.369 11.396 22.784 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.416 12.321 21.681 1.00 0.00 H new ATOM 1141 N TRP A 23 6.405 10.399 23.928 1.00 0.00 N ATOM 1142 CA TRP A 23 6.225 10.269 25.403 1.00 0.00 C ATOM 1143 C TRP A 23 4.938 10.981 25.840 1.00 0.00 C ATOM 1144 O TRP A 23 4.671 12.097 25.444 1.00 0.00 O ATOM 1145 CB TRP A 23 7.427 10.902 26.105 1.00 0.00 C ATOM 1146 CG TRP A 23 8.614 10.002 25.965 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.656 10.216 25.127 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.902 8.754 26.663 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.566 9.186 25.272 1.00 0.00 N ATOM 1150 CE2 TRP A 23 10.147 8.263 26.204 1.00 0.00 C ATOM 1151 CE3 TRP A 23 8.218 8.007 27.641 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.695 7.078 26.692 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.766 6.812 28.135 1.00 0.00 C ATOM 1154 CH2 TRP A 23 10.002 6.351 27.662 1.00 0.00 C ATOM 0 H TRP A 23 6.908 11.234 23.627 1.00 0.00 H new ATOM 0 HA TRP A 23 6.151 9.215 25.671 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.643 11.878 25.671 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.202 11.065 27.159 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.759 11.055 24.455 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.441 9.118 24.752 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.266 8.355 28.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.647 6.725 26.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 8.232 6.245 28.883 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.419 5.433 28.048 1.00 0.00 H new ATOM 1165 N ARG A 24 4.142 10.340 26.663 1.00 0.00 N ATOM 1166 CA ARG A 24 2.869 10.962 27.146 1.00 0.00 C ATOM 1167 C ARG A 24 3.086 11.506 28.558 1.00 0.00 C ATOM 1168 O ARG A 24 4.050 11.182 29.216 1.00 0.00 O ATOM 1169 CB ARG A 24 1.753 9.907 27.196 1.00 0.00 C ATOM 1170 CG ARG A 24 1.329 9.480 25.782 1.00 0.00 C ATOM 1171 CD ARG A 24 0.311 10.464 25.188 1.00 0.00 C ATOM 1172 NE ARG A 24 0.105 10.163 23.739 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.951 10.626 23.121 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.825 11.339 23.779 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -1.129 10.392 21.847 1.00 0.00 N ATOM 0 H ARG A 24 4.323 9.403 27.024 1.00 0.00 H new ATOM 0 HA ARG A 24 2.583 11.764 26.465 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.097 9.036 27.754 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.892 10.309 27.731 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.206 9.426 25.137 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.896 8.480 25.815 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.636 10.390 25.723 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.666 11.487 25.310 1.00 0.00 H new ATOM 0 HE ARG A 24 0.786 9.598 23.233 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.683 11.533 24.770 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.650 11.702 23.302 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.442 9.845 21.328 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.955 10.756 21.372 1.00 0.00 H new ATOM 1189 N ARG A 25 2.183 12.324 29.030 1.00 0.00 N ATOM 1190 CA ARG A 25 2.310 12.889 30.406 1.00 0.00 C ATOM 1191 C ARG A 25 0.975 12.724 31.135 1.00 0.00 C ATOM 1192 O ARG A 25 -0.059 12.557 30.519 1.00 0.00 O ATOM 1193 CB ARG A 25 2.680 14.370 30.318 1.00 0.00 C ATOM 1194 CG ARG A 25 4.101 14.511 29.762 1.00 0.00 C ATOM 1195 CD ARG A 25 4.572 15.958 29.923 1.00 0.00 C ATOM 1196 NE ARG A 25 5.687 16.243 28.962 1.00 0.00 N ATOM 1197 CZ ARG A 25 6.756 15.493 28.912 1.00 0.00 C ATOM 1198 NH1 ARG A 25 6.966 14.592 29.828 1.00 0.00 N ATOM 1199 NH2 ARG A 25 7.648 15.694 27.977 1.00 0.00 N ATOM 0 H ARG A 25 1.356 12.628 28.517 1.00 0.00 H new ATOM 0 HA ARG A 25 3.091 12.363 30.955 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.973 14.895 29.675 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.617 14.831 31.304 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.777 13.837 30.288 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.121 14.226 28.710 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.742 16.642 29.743 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.909 16.128 30.945 1.00 0.00 H new ATOM 0 HE ARG A 25 5.609 17.041 28.332 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.295 14.470 30.587 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.801 14.008 29.787 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.508 16.434 27.290 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.483 15.110 27.935 1.00 0.00 H new ATOM 1213 N ASN A 26 0.989 12.762 32.444 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.272 12.599 33.234 1.00 0.00 C ATOM 1215 C ASN A 26 -0.371 13.780 34.200 1.00 0.00 C ATOM 1216 O ASN A 26 0.642 14.292 34.629 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.191 11.273 34.015 1.00 0.00 C ATOM 1218 CG ASN A 26 -1.227 11.232 35.144 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -2.295 10.674 34.986 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -0.950 11.794 36.288 1.00 0.00 N ATOM 0 H ASN A 26 1.829 12.900 33.006 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.150 12.577 32.588 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.356 10.437 33.336 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.809 11.153 34.431 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.629 11.765 37.048 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.054 12.263 36.422 1.00 0.00 H new ATOM 1227 N PRO A 27 -1.557 14.232 34.550 1.00 0.00 N ATOM 1228 CA PRO A 27 -1.718 15.383 35.491 1.00 0.00 C ATOM 1229 C PRO A 27 -0.844 15.266 36.757 1.00 0.00 C ATOM 1230 O PRO A 27 -0.828 16.163 37.576 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.224 15.379 35.846 1.00 0.00 C ATOM 1232 CG PRO A 27 -3.758 14.087 35.308 1.00 0.00 C ATOM 1233 CD PRO A 27 -2.883 13.749 34.107 1.00 0.00 C ATOM 0 HA PRO A 27 -1.390 16.314 35.029 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.373 15.447 36.924 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.735 16.232 35.399 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -3.711 13.300 36.061 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.803 14.187 35.016 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.878 12.680 33.893 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.220 14.253 33.201 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.081 14.209 36.912 1.00 0.00 N ATOM 1242 CA GLU A 28 0.809 14.093 38.109 1.00 0.00 C ATOM 1243 C GLU A 28 2.220 14.514 37.696 1.00 0.00 C ATOM 1244 O GLU A 28 3.079 14.768 38.516 1.00 0.00 O ATOM 1245 CB GLU A 28 0.815 12.648 38.617 1.00 0.00 C ATOM 1246 CG GLU A 28 -0.544 12.312 39.247 1.00 0.00 C ATOM 1247 CD GLU A 28 -0.699 13.072 40.566 1.00 0.00 C ATOM 1248 OE1 GLU A 28 0.092 12.825 41.463 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -1.615 13.877 40.662 1.00 0.00 O ATOM 0 H GLU A 28 -0.037 13.424 36.262 1.00 0.00 H new ATOM 0 HA GLU A 28 0.448 14.735 38.912 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.023 11.964 37.794 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.609 12.514 39.351 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.350 12.581 38.564 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.620 11.239 39.423 1.00 0.00 H new ATOM 1256 N GLY A 29 2.449 14.601 36.417 1.00 0.00 N ATOM 1257 CA GLY A 29 3.786 15.020 35.913 1.00 0.00 C ATOM 1258 C GLY A 29 4.705 13.811 35.751 1.00 0.00 C ATOM 1259 O GLY A 29 5.877 13.951 35.465 1.00 0.00 O ATOM 0 H GLY A 29 1.761 14.398 35.692 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.676 15.530 34.956 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.234 15.733 36.605 1.00 0.00 H new ATOM 1263 N GLN A 30 4.192 12.623 35.909 1.00 0.00 N ATOM 1264 CA GLN A 30 5.053 11.419 35.740 1.00 0.00 C ATOM 1265 C GLN A 30 5.148 11.091 34.238 1.00 0.00 C ATOM 1266 O GLN A 30 4.169 11.192 33.529 1.00 0.00 O ATOM 1267 CB GLN A 30 4.409 10.248 36.482 1.00 0.00 C ATOM 1268 CG GLN A 30 4.281 10.585 37.969 1.00 0.00 C ATOM 1269 CD GLN A 30 3.943 9.310 38.739 1.00 0.00 C ATOM 1270 OE1 GLN A 30 4.703 8.859 39.573 1.00 0.00 O ATOM 1271 NE2 GLN A 30 2.819 8.704 38.477 1.00 0.00 N ATOM 0 H GLN A 30 3.218 12.434 36.147 1.00 0.00 H new ATOM 0 HA GLN A 30 6.050 11.601 36.140 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.426 10.036 36.062 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.011 9.349 36.354 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.212 11.013 38.340 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.503 11.334 38.120 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.185 9.087 37.776 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.574 7.847 38.973 1.00 0.00 H new ATOM 1280 N PRO A 31 6.303 10.700 33.745 1.00 0.00 N ATOM 1281 CA PRO A 31 6.487 10.365 32.293 1.00 0.00 C ATOM 1282 C PRO A 31 5.822 9.033 31.909 1.00 0.00 C ATOM 1283 O PRO A 31 5.888 8.063 32.639 1.00 0.00 O ATOM 1284 CB PRO A 31 8.012 10.280 32.147 1.00 0.00 C ATOM 1285 CG PRO A 31 8.481 9.840 33.493 1.00 0.00 C ATOM 1286 CD PRO A 31 7.560 10.529 34.498 1.00 0.00 C ATOM 0 HA PRO A 31 6.024 11.102 31.637 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.300 9.569 31.372 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.441 11.243 31.871 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.426 8.756 33.591 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.521 10.123 33.657 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.414 9.922 35.392 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.966 11.486 34.825 1.00 0.00 H new ATOM 1294 N LEU A 32 5.186 8.983 30.765 1.00 0.00 N ATOM 1295 CA LEU A 32 4.509 7.720 30.321 1.00 0.00 C ATOM 1296 C LEU A 32 4.787 7.473 28.841 1.00 0.00 C ATOM 1297 O LEU A 32 4.916 8.397 28.062 1.00 0.00 O ATOM 1298 CB LEU A 32 2.996 7.854 30.520 1.00 0.00 C ATOM 1299 CG LEU A 32 2.673 8.012 32.007 1.00 0.00 C ATOM 1300 CD1 LEU A 32 1.197 8.388 32.162 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.962 6.703 32.756 1.00 0.00 C ATOM 0 H LEU A 32 5.105 9.765 30.115 1.00 0.00 H new ATOM 0 HA LEU A 32 4.893 6.888 30.911 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.623 8.715 29.966 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.490 6.975 30.121 1.00 0.00 H new ATOM 0 HG LEU A 32 3.298 8.798 32.431 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.960 8.502 33.220 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.004 9.327 31.643 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.575 7.603 31.733 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.728 6.829 33.813 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.348 5.903 32.341 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.015 6.446 32.646 1.00 0.00 H new ATOM 1313 N CYS A 33 4.856 6.233 28.436 1.00 0.00 N ATOM 1314 CA CYS A 33 5.098 5.952 26.998 1.00 0.00 C ATOM 1315 C CYS A 33 3.791 6.181 26.237 1.00 0.00 C ATOM 1316 O CYS A 33 2.803 6.608 26.804 1.00 0.00 O ATOM 1317 CB CYS A 33 5.617 4.521 26.816 1.00 0.00 C ATOM 1318 SG CYS A 33 4.297 3.306 27.064 1.00 0.00 S ATOM 0 H CYS A 33 4.756 5.413 29.034 1.00 0.00 H new ATOM 0 HA CYS A 33 5.862 6.621 26.602 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.035 4.408 25.816 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.425 4.332 27.523 1.00 0.00 H new ATOM 0 HG CYS A 33 4.716 2.366 27.859 1.00 0.00 H new ATOM 1323 N ASN A 34 3.774 5.943 24.960 1.00 0.00 N ATOM 1324 CA ASN A 34 2.522 6.194 24.194 1.00 0.00 C ATOM 1325 C ASN A 34 1.433 5.171 24.528 1.00 0.00 C ATOM 1326 O ASN A 34 0.269 5.513 24.612 1.00 0.00 O ATOM 1327 CB ASN A 34 2.818 6.147 22.698 1.00 0.00 C ATOM 1328 CG ASN A 34 3.352 4.766 22.312 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.262 4.371 21.168 1.00 0.00 O ATOM 1330 ND2 ASN A 34 3.908 4.008 23.217 1.00 0.00 N ATOM 0 H ASN A 34 4.561 5.590 24.416 1.00 0.00 H new ATOM 0 HA ASN A 34 2.154 7.181 24.476 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.912 6.366 22.133 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.549 6.914 22.439 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.265 3.087 22.962 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.986 4.336 24.180 1.00 0.00 H new ATOM 1337 N ALA A 35 1.773 3.919 24.687 1.00 0.00 N ATOM 1338 CA ALA A 35 0.721 2.899 24.978 1.00 0.00 C ATOM 1339 C ALA A 35 0.064 3.131 26.344 1.00 0.00 C ATOM 1340 O ALA A 35 -1.143 3.107 26.465 1.00 0.00 O ATOM 1341 CB ALA A 35 1.325 1.498 24.938 1.00 0.00 C ATOM 0 H ALA A 35 2.726 3.560 24.629 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.048 2.995 24.211 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.550 0.762 25.151 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.742 1.310 23.949 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.115 1.421 25.685 1.00 0.00 H new ATOM 1347 N CYS A 36 0.834 3.312 27.385 1.00 0.00 N ATOM 1348 CA CYS A 36 0.218 3.506 28.732 1.00 0.00 C ATOM 1349 C CYS A 36 -0.625 4.784 28.758 1.00 0.00 C ATOM 1350 O CYS A 36 -1.714 4.809 29.293 1.00 0.00 O ATOM 1351 CB CYS A 36 1.306 3.629 29.801 1.00 0.00 C ATOM 1352 SG CYS A 36 2.234 2.085 29.947 1.00 0.00 S ATOM 0 H CYS A 36 1.854 3.334 27.363 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.413 2.641 28.937 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.984 4.444 29.546 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.854 3.880 30.761 1.00 0.00 H new ATOM 0 HG CYS A 36 3.479 2.350 30.213 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.125 5.858 28.205 1.00 0.00 N ATOM 1358 CA GLY A 37 -0.898 7.131 28.232 1.00 0.00 C ATOM 1359 C GLY A 37 -2.199 6.961 27.451 1.00 0.00 C ATOM 1360 O GLY A 37 -3.271 7.290 27.920 1.00 0.00 O ATOM 0 H GLY A 37 0.781 5.907 27.738 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.115 7.414 29.262 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.305 7.937 27.799 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.101 6.452 26.257 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.312 6.257 25.418 1.00 0.00 C ATOM 1366 C LEU A 38 -4.243 5.219 26.053 1.00 0.00 C ATOM 1367 O LEU A 38 -5.427 5.435 26.192 1.00 0.00 O ATOM 1368 CB LEU A 38 -2.873 5.760 24.034 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.153 6.871 23.261 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -1.541 6.273 21.990 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.131 7.991 22.876 1.00 0.00 C ATOM 0 H LEU A 38 -1.225 6.160 25.823 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.848 7.202 25.334 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.212 4.900 24.144 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.743 5.423 23.470 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.375 7.296 23.895 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.026 7.055 21.432 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.830 5.492 22.261 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.331 5.846 21.372 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.597 8.768 22.329 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.923 7.583 22.248 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.568 8.418 23.778 1.00 0.00 H new ATOM 1383 N PHE A 39 -3.726 4.083 26.422 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.603 3.037 27.020 1.00 0.00 C ATOM 1385 C PHE A 39 -5.128 3.469 28.387 1.00 0.00 C ATOM 1386 O PHE A 39 -6.300 3.339 28.681 1.00 0.00 O ATOM 1387 CB PHE A 39 -3.827 1.733 27.182 1.00 0.00 C ATOM 1388 CG PHE A 39 -4.763 0.680 27.713 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -5.012 0.595 29.088 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.393 -0.200 26.830 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -5.889 -0.376 29.579 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.270 -1.171 27.320 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.519 -1.259 28.694 1.00 0.00 C ATOM 0 H PHE A 39 -2.741 3.833 26.337 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.448 2.891 26.347 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.409 1.420 26.225 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.989 1.874 27.865 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.527 1.279 29.769 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.202 -0.130 25.769 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.080 -0.445 30.640 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.756 -1.854 26.638 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.198 -2.009 29.072 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.271 3.945 29.245 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.729 4.336 30.605 1.00 0.00 C ATOM 1405 C LEU A 40 -5.788 5.435 30.501 1.00 0.00 C ATOM 1406 O LEU A 40 -6.843 5.347 31.094 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.528 4.840 31.415 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.905 5.032 32.892 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -4.071 3.669 33.591 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.789 5.812 33.596 1.00 0.00 C ATOM 0 H LEU A 40 -3.276 4.080 29.064 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.168 3.473 31.105 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.706 4.129 31.335 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.175 5.784 31.000 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.847 5.577 32.945 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.338 3.826 34.636 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.859 3.100 33.097 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.134 3.115 33.535 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.049 5.952 34.645 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.855 5.255 33.525 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.668 6.785 33.119 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.528 6.473 29.759 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.539 7.562 29.648 1.00 0.00 C ATOM 1424 C LYS A 41 -7.806 7.051 28.949 1.00 0.00 C ATOM 1425 O LYS A 41 -8.912 7.372 29.339 1.00 0.00 O ATOM 1426 CB LYS A 41 -5.938 8.711 28.842 1.00 0.00 C ATOM 1427 CG LYS A 41 -6.894 9.907 28.834 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.209 11.105 28.154 1.00 0.00 C ATOM 1429 CE LYS A 41 -5.356 11.871 29.169 1.00 0.00 C ATOM 1430 NZ LYS A 41 -4.774 13.071 28.510 1.00 0.00 N ATOM 0 H LYS A 41 -4.668 6.616 29.229 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.810 7.904 30.647 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.980 9.004 29.272 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.743 8.385 27.820 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.811 9.650 28.304 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.177 10.167 29.854 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.584 10.757 27.331 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.961 11.768 27.725 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.965 12.169 30.023 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.562 11.230 29.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.193 13.596 29.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.181 12.774 27.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.540 13.684 28.165 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.657 6.278 27.907 1.00 0.00 N ATOM 1445 CA LEU A 42 -8.862 5.777 27.177 1.00 0.00 C ATOM 1446 C LEU A 42 -9.628 4.771 28.051 1.00 0.00 C ATOM 1447 O LEU A 42 -10.841 4.757 28.065 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.438 5.101 25.866 1.00 0.00 C ATOM 1449 CG LEU A 42 -7.870 6.133 24.876 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -7.232 5.394 23.695 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -8.984 7.052 24.349 1.00 0.00 C ATOM 0 H LEU A 42 -6.760 5.972 27.530 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.512 6.623 26.952 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.688 4.337 26.072 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.294 4.595 25.419 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.127 6.742 25.392 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.827 6.118 22.988 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.429 4.753 24.058 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.986 4.784 23.197 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.560 7.774 23.651 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.739 6.453 23.839 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.444 7.581 25.183 1.00 0.00 H new ATOM 1463 N HIS A 43 -8.944 3.906 28.759 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.659 2.890 29.599 1.00 0.00 C ATOM 1465 C HIS A 43 -9.971 3.432 30.998 1.00 0.00 C ATOM 1466 O HIS A 43 -11.044 3.218 31.526 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.775 1.646 29.721 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.801 0.914 28.409 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -8.032 1.320 27.333 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.528 -0.166 27.965 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.311 0.504 26.302 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -9.218 -0.420 26.631 1.00 0.00 N ATOM 0 H HIS A 43 -7.926 3.858 28.793 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.606 2.647 29.117 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.754 1.930 29.976 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.136 1.001 30.522 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.372 2.098 27.324 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.231 -0.730 28.559 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.857 0.585 25.326 1.00 0.00 H new ATOM 1480 N GLY A 44 -9.067 4.137 31.609 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.358 4.680 32.963 1.00 0.00 C ATOM 1482 C GLY A 44 -9.344 3.565 34.017 1.00 0.00 C ATOM 1483 O GLY A 44 -9.702 3.792 35.156 1.00 0.00 O ATOM 0 H GLY A 44 -8.145 4.361 31.235 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.619 5.439 33.221 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.331 5.171 32.960 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.952 2.366 33.658 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.938 1.248 34.658 1.00 0.00 C ATOM 1489 C VAL A 45 -7.682 0.383 34.481 1.00 0.00 C ATOM 1490 O VAL A 45 -7.204 0.177 33.385 1.00 0.00 O ATOM 1491 CB VAL A 45 -10.187 0.379 34.465 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -11.436 1.158 34.878 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -10.329 -0.035 32.995 1.00 0.00 C ATOM 0 H VAL A 45 -8.642 2.112 32.720 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.932 1.673 35.662 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.082 -0.511 35.086 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.318 0.533 34.737 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.357 1.443 35.927 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.525 2.054 34.264 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.220 -0.651 32.875 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.417 0.856 32.373 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.451 -0.604 32.691 1.00 0.00 H new ATOM 1503 N VAL A 46 -7.142 -0.114 35.565 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.915 -0.961 35.481 1.00 0.00 C ATOM 1505 C VAL A 46 -6.145 -2.114 34.502 1.00 0.00 C ATOM 1506 O VAL A 46 -7.238 -2.624 34.368 1.00 0.00 O ATOM 1507 CB VAL A 46 -5.584 -1.517 36.873 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -5.272 -0.357 37.816 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -6.780 -2.294 37.430 1.00 0.00 C ATOM 0 H VAL A 46 -7.501 0.032 36.509 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.081 -0.356 35.125 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.725 -2.183 36.792 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.036 -0.747 38.806 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.419 0.203 37.434 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.138 0.301 37.882 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.533 -2.683 38.418 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.641 -1.630 37.507 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.018 -3.122 36.763 1.00 0.00 H new ATOM 1519 N ARG A 47 -5.114 -2.526 33.814 1.00 0.00 N ATOM 1520 CA ARG A 47 -5.252 -3.650 32.842 1.00 0.00 C ATOM 1521 C ARG A 47 -3.903 -4.377 32.767 1.00 0.00 C ATOM 1522 O ARG A 47 -2.877 -3.739 32.645 1.00 0.00 O ATOM 1523 CB ARG A 47 -5.644 -3.087 31.468 1.00 0.00 C ATOM 1524 CG ARG A 47 -5.851 -4.208 30.434 1.00 0.00 C ATOM 1525 CD ARG A 47 -7.245 -4.836 30.592 1.00 0.00 C ATOM 1526 NE ARG A 47 -7.202 -6.252 30.117 1.00 0.00 N ATOM 1527 CZ ARG A 47 -6.732 -6.546 28.933 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -6.520 -5.600 28.064 1.00 0.00 N ATOM 1529 NH2 ARG A 47 -6.540 -7.792 28.591 1.00 0.00 N ATOM 0 H ARG A 47 -4.177 -2.130 33.884 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.027 -4.348 33.158 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.560 -2.504 31.561 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.867 -2.407 31.118 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.738 -3.807 29.427 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.085 -4.973 30.560 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.558 -4.799 31.636 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.979 -4.270 30.019 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.543 -6.998 30.723 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.721 -4.630 28.307 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.153 -5.829 27.140 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.757 -8.541 29.249 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.173 -8.016 27.666 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.885 -5.687 32.858 1.00 0.00 N ATOM 1544 CA PRO A 48 -2.619 -6.469 32.827 1.00 0.00 C ATOM 1545 C PRO A 48 -1.525 -5.831 31.964 1.00 0.00 C ATOM 1546 O PRO A 48 -1.538 -5.921 30.753 1.00 0.00 O ATOM 1547 CB PRO A 48 -3.077 -7.800 32.247 1.00 0.00 C ATOM 1548 CG PRO A 48 -4.443 -7.999 32.828 1.00 0.00 C ATOM 1549 CD PRO A 48 -5.048 -6.595 32.994 1.00 0.00 C ATOM 0 HA PRO A 48 -2.153 -6.541 33.810 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.107 -7.771 31.158 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.403 -8.610 32.526 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -5.059 -8.613 32.172 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.387 -8.514 33.787 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.803 -6.393 32.234 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.533 -6.481 33.964 1.00 0.00 H new ATOM 1557 N LEU A 49 -0.565 -5.203 32.597 1.00 0.00 N ATOM 1558 CA LEU A 49 0.556 -4.573 31.837 1.00 0.00 C ATOM 1559 C LEU A 49 1.290 -5.664 31.047 1.00 0.00 C ATOM 1560 O LEU A 49 2.115 -5.388 30.199 1.00 0.00 O ATOM 1561 CB LEU A 49 1.545 -3.894 32.800 1.00 0.00 C ATOM 1562 CG LEU A 49 0.848 -2.802 33.629 1.00 0.00 C ATOM 1563 CD1 LEU A 49 1.873 -2.153 34.564 1.00 0.00 C ATOM 1564 CD2 LEU A 49 0.265 -1.718 32.712 1.00 0.00 C ATOM 0 H LEU A 49 -0.510 -5.100 33.610 1.00 0.00 H new ATOM 0 HA LEU A 49 0.152 -3.819 31.161 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.979 -4.640 33.466 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.367 -3.456 32.233 1.00 0.00 H new ATOM 0 HG LEU A 49 0.040 -3.259 34.201 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.386 -1.377 35.155 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.289 -2.910 35.230 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.675 -1.710 33.973 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.224 -0.954 33.317 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.067 -1.263 32.131 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.463 -2.166 32.036 1.00 0.00 H new ATOM 1576 N SER A 50 1.007 -6.905 31.339 1.00 0.00 N ATOM 1577 CA SER A 50 1.695 -8.031 30.637 1.00 0.00 C ATOM 1578 C SER A 50 1.430 -7.940 29.137 1.00 0.00 C ATOM 1579 O SER A 50 2.053 -8.613 28.338 1.00 0.00 O ATOM 1580 CB SER A 50 1.162 -9.359 31.177 1.00 0.00 C ATOM 1581 OG SER A 50 1.966 -10.431 30.701 1.00 0.00 O ATOM 0 H SER A 50 0.323 -7.191 32.040 1.00 0.00 H new ATOM 0 HA SER A 50 2.769 -7.971 30.812 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.165 -9.346 32.267 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.128 -9.501 30.863 1.00 0.00 H new ATOM 0 HG SER A 50 2.337 -10.198 29.824 1.00 0.00 H new ATOM 1587 N LEU A 51 0.534 -7.085 28.742 1.00 0.00 N ATOM 1588 CA LEU A 51 0.256 -6.934 27.291 1.00 0.00 C ATOM 1589 C LEU A 51 1.458 -6.245 26.649 1.00 0.00 C ATOM 1590 O LEU A 51 1.876 -6.580 25.558 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.973 -6.048 27.108 1.00 0.00 C ATOM 1592 CG LEU A 51 -2.189 -6.687 27.791 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -3.251 -5.613 28.039 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -2.780 -7.780 26.897 1.00 0.00 C ATOM 0 H LEU A 51 -0.016 -6.486 29.358 1.00 0.00 H new ATOM 0 HA LEU A 51 0.079 -7.908 26.834 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.786 -5.061 27.531 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.175 -5.907 26.046 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.876 -7.128 28.737 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.117 -6.063 28.524 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.839 -4.835 28.681 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.555 -5.175 27.088 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.643 -8.227 27.391 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.091 -7.345 25.947 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.028 -8.548 26.715 1.00 0.00 H new ATOM 1606 N LYS A 52 2.011 -5.282 27.330 1.00 0.00 N ATOM 1607 CA LYS A 52 3.192 -4.541 26.797 1.00 0.00 C ATOM 1608 C LYS A 52 4.214 -5.523 26.211 1.00 0.00 C ATOM 1609 O LYS A 52 4.264 -6.681 26.575 1.00 0.00 O ATOM 1610 CB LYS A 52 3.839 -3.764 27.955 1.00 0.00 C ATOM 1611 CG LYS A 52 5.089 -2.988 27.479 1.00 0.00 C ATOM 1612 CD LYS A 52 6.368 -3.738 27.878 1.00 0.00 C ATOM 1613 CE LYS A 52 7.591 -2.886 27.547 1.00 0.00 C ATOM 1614 NZ LYS A 52 7.415 -2.267 26.203 1.00 0.00 N ATOM 0 H LYS A 52 1.691 -4.971 28.247 1.00 0.00 H new ATOM 0 HA LYS A 52 2.872 -3.859 26.010 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.115 -3.068 28.378 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.118 -4.456 28.750 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.056 -2.862 26.397 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.094 -1.990 27.916 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.350 -3.966 28.944 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.422 -4.690 27.350 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.723 -2.111 28.302 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.491 -3.501 27.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.347 -2.072 25.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.890 -2.919 25.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.885 -1.377 26.297 1.00 0.00 H new ATOM 1628 N THR A 53 5.053 -5.057 25.325 1.00 0.00 N ATOM 1629 CA THR A 53 6.103 -5.934 24.729 1.00 0.00 C ATOM 1630 C THR A 53 7.315 -5.070 24.389 1.00 0.00 C ATOM 1631 O THR A 53 7.234 -3.858 24.379 1.00 0.00 O ATOM 1632 CB THR A 53 5.591 -6.593 23.448 1.00 0.00 C ATOM 1633 OG1 THR A 53 6.694 -7.059 22.690 1.00 0.00 O ATOM 1634 CG2 THR A 53 4.801 -5.579 22.625 1.00 0.00 C ATOM 0 H THR A 53 5.056 -4.095 24.985 1.00 0.00 H new ATOM 0 HA THR A 53 6.367 -6.714 25.443 1.00 0.00 H new ATOM 0 HB THR A 53 4.941 -7.429 23.706 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.499 -6.960 21.735 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.438 -6.054 21.713 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.954 -5.218 23.208 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.446 -4.740 22.365 1.00 0.00 H new ATOM 1642 N ASP A 54 8.434 -5.674 24.098 1.00 0.00 N ATOM 1643 CA ASP A 54 9.644 -4.874 23.746 1.00 0.00 C ATOM 1644 C ASP A 54 9.668 -4.674 22.228 1.00 0.00 C ATOM 1645 O ASP A 54 10.511 -3.982 21.691 1.00 0.00 O ATOM 1646 CB ASP A 54 10.900 -5.635 24.179 1.00 0.00 C ATOM 1647 CG ASP A 54 10.991 -5.641 25.706 1.00 0.00 C ATOM 1648 OD1 ASP A 54 10.393 -4.775 26.319 1.00 0.00 O ATOM 1649 OD2 ASP A 54 11.664 -6.507 26.238 1.00 0.00 O ATOM 0 H ASP A 54 8.564 -6.686 24.088 1.00 0.00 H new ATOM 0 HA ASP A 54 9.617 -3.909 24.252 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.867 -6.657 23.802 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.787 -5.166 23.753 1.00 0.00 H new ATOM 1654 N VAL A 55 8.722 -5.263 21.540 1.00 0.00 N ATOM 1655 CA VAL A 55 8.633 -5.114 20.056 1.00 0.00 C ATOM 1656 C VAL A 55 7.390 -4.282 19.742 1.00 0.00 C ATOM 1657 O VAL A 55 6.310 -4.543 20.239 1.00 0.00 O ATOM 1658 CB VAL A 55 8.499 -6.490 19.390 1.00 0.00 C ATOM 1659 CG1 VAL A 55 8.417 -6.335 17.870 1.00 0.00 C ATOM 1660 CG2 VAL A 55 9.708 -7.364 19.731 1.00 0.00 C ATOM 0 H VAL A 55 7.996 -5.850 21.951 1.00 0.00 H new ATOM 0 HA VAL A 55 9.533 -4.630 19.677 1.00 0.00 H new ATOM 0 HB VAL A 55 7.589 -6.961 19.762 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.322 -7.318 17.409 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.549 -5.728 17.612 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.321 -5.848 17.505 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.600 -8.337 19.252 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.618 -6.882 19.373 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.769 -7.496 20.811 1.00 0.00 H new ATOM 1670 N ILE A 56 7.544 -3.278 18.928 1.00 0.00 N ATOM 1671 CA ILE A 56 6.397 -2.395 18.566 1.00 0.00 C ATOM 1672 C ILE A 56 5.937 -2.698 17.140 1.00 0.00 C ATOM 1673 O ILE A 56 6.739 -2.930 16.257 1.00 0.00 O ATOM 1674 CB ILE A 56 6.851 -0.938 18.666 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.249 -0.646 20.117 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.700 -0.017 18.259 1.00 0.00 C ATOM 1677 CD1 ILE A 56 8.017 0.674 20.195 1.00 0.00 C ATOM 0 H ILE A 56 8.430 -3.026 18.490 1.00 0.00 H new ATOM 0 HA ILE A 56 5.564 -2.572 19.247 1.00 0.00 H new ATOM 0 HB ILE A 56 7.700 -0.766 18.005 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.358 -0.595 20.743 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.865 -1.458 20.504 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.023 1.022 18.330 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.404 -0.236 17.233 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.851 -0.180 18.924 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.295 0.872 21.230 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.917 0.608 19.584 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.387 1.484 19.827 1.00 0.00 H new ATOM 1689 N LYS A 57 4.652 -2.702 16.911 1.00 0.00 N ATOM 1690 CA LYS A 57 4.132 -2.987 15.543 1.00 0.00 C ATOM 1691 C LYS A 57 4.144 -1.688 14.737 1.00 0.00 C ATOM 1692 O LYS A 57 3.491 -0.722 15.084 1.00 0.00 O ATOM 1693 CB LYS A 57 2.693 -3.512 15.651 1.00 0.00 C ATOM 1694 CG LYS A 57 2.195 -4.005 14.282 1.00 0.00 C ATOM 1695 CD LYS A 57 2.689 -5.431 14.011 1.00 0.00 C ATOM 1696 CE LYS A 57 1.970 -6.000 12.789 1.00 0.00 C ATOM 1697 NZ LYS A 57 2.450 -7.390 12.554 1.00 0.00 N ATOM 0 H LYS A 57 3.937 -2.519 17.615 1.00 0.00 H new ATOM 0 HA LYS A 57 4.753 -3.735 15.050 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.650 -4.326 16.375 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.038 -2.722 16.020 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.106 -3.980 14.254 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.549 -3.336 13.497 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.766 -5.428 13.843 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.504 -6.062 14.880 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.892 -5.995 12.949 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.165 -5.380 11.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.967 -7.788 11.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.476 -7.379 12.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.242 -7.975 13.389 1.00 0.00 H new ATOM 1711 N LYS A 58 4.885 -1.657 13.664 1.00 0.00 N ATOM 1712 CA LYS A 58 4.947 -0.426 12.827 1.00 0.00 C ATOM 1713 C LYS A 58 3.785 -0.447 11.830 1.00 0.00 C ATOM 1714 O LYS A 58 3.620 -1.392 11.085 1.00 0.00 O ATOM 1715 CB LYS A 58 6.268 -0.391 12.046 1.00 0.00 C ATOM 1716 CG LYS A 58 7.464 -0.206 13.001 1.00 0.00 C ATOM 1717 CD LYS A 58 7.933 -1.561 13.557 1.00 0.00 C ATOM 1718 CE LYS A 58 9.251 -1.382 14.316 1.00 0.00 C ATOM 1719 NZ LYS A 58 9.012 -0.472 15.469 1.00 0.00 N ATOM 0 H LYS A 58 5.453 -2.435 13.329 1.00 0.00 H new ATOM 0 HA LYS A 58 4.882 0.452 13.470 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.387 -1.316 11.482 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.246 0.423 11.322 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.285 0.280 12.473 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.181 0.451 13.823 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.174 -1.975 14.221 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.066 -2.273 12.742 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.621 -2.346 14.665 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.014 -0.967 13.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.738 -0.635 16.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.059 0.516 15.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.071 -0.660 15.871 1.00 0.00 H new ATOM 1733 N ARG A 59 2.972 0.580 11.809 1.00 0.00 N ATOM 1734 CA ARG A 59 1.818 0.607 10.860 1.00 0.00 C ATOM 1735 C ARG A 59 2.204 1.411 9.616 1.00 0.00 C ATOM 1736 O ARG A 59 3.314 1.893 9.498 1.00 0.00 O ATOM 1737 CB ARG A 59 0.621 1.278 11.528 1.00 0.00 C ATOM 1738 CG ARG A 59 0.241 0.489 12.780 1.00 0.00 C ATOM 1739 CD ARG A 59 -1.125 0.948 13.281 1.00 0.00 C ATOM 1740 NE ARG A 59 -1.155 2.428 13.410 1.00 0.00 N ATOM 1741 CZ ARG A 59 -2.307 3.031 13.486 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -3.406 2.332 13.409 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -2.369 4.324 13.622 1.00 0.00 N ATOM 0 H ARG A 59 3.058 1.401 12.408 1.00 0.00 H new ATOM 0 HA ARG A 59 1.559 -0.414 10.580 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.865 2.307 11.792 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.222 1.317 10.838 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.218 -0.578 12.556 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.992 0.636 13.556 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.902 0.620 12.591 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.340 0.487 14.245 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.287 2.963 13.439 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.359 1.320 13.290 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.312 2.798 13.468 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.511 4.873 13.670 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.276 4.788 13.681 1.00 0.00 H new ATOM 1757 N ASN A 60 1.311 1.519 8.670 1.00 0.00 N ATOM 1758 CA ASN A 60 1.635 2.243 7.406 1.00 0.00 C ATOM 1759 C ASN A 60 1.650 3.761 7.616 1.00 0.00 C ATOM 1760 O ASN A 60 1.389 4.264 8.692 1.00 0.00 O ATOM 1761 CB ASN A 60 0.586 1.906 6.347 1.00 0.00 C ATOM 1762 CG ASN A 60 0.581 0.396 6.080 1.00 0.00 C ATOM 1763 OD1 ASN A 60 1.608 -0.184 5.794 1.00 0.00 O ATOM 1764 ND2 ASN A 60 -0.542 -0.268 6.158 1.00 0.00 N ATOM 0 H ASN A 60 0.367 1.136 8.718 1.00 0.00 H new ATOM 0 HA ASN A 60 2.627 1.927 7.083 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.400 2.228 6.683 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.800 2.447 5.425 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.554 -1.272 5.979 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.406 0.218 6.398 1.00 0.00 H new