USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 407 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 CYS SG : rot 160:sc= 0.951 USER MOD Set 1.2: A 15 CYS SG : rot -62:sc= 0.0852 USER MOD Set 1.3: A 17 THR OG1 : rot 106:sc= -0.827 USER MOD Set 1.4: A 33 CYS SG : rot -133:sc= 1.28 USER MOD Set 1.5: A 36 CYS SG : rot 147:sc= 0.224 USER MOD Set 2.1: A 20 THR OG1 : rot -133:sc= 0.0309 USER MOD Set 2.2: A 34 ASN :FLIP amide:sc= -0.431 F(o=-10!,f=-0.4) USER MOD Set 3.1: A 13 THR OG1 : rot 160:sc= 0 USER MOD Set 3.2: A 14 ASN :FLIP amide:sc= -1.63 F(o=-2.3!,f=-1.6) USER MOD Single : A 11 THR OG1 : rot 42:sc= 0.0256 USER MOD Single : A 18 GLN : amide:sc= -2.67! C(o=-2.7!,f=-3.7!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -4.19! C(o=-4.2!,f=-17!) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 41 LYS NZ :NH3+ -158:sc= -0.0733 (180deg=-0.554) USER MOD Single : A 43 HIS : no HE2:sc= -3.56! C(o=-3.6!,f=-6.7!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -151:sc= -0.215 (180deg=-1.11) USER MOD Single : A 53 THR OG1 : rot 130:sc= -0.961 USER MOD Single : A 57 LYS NZ :NH3+ 155:sc= -0.0581 (180deg=-0.43) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN :FLIP amide:sc=-0.00611 F(o=-0.87,f=-0.0061) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 11.835 7.010 31.618 1.00 0.00 N ATOM 971 CA THR A 11 11.303 5.620 31.488 1.00 0.00 C ATOM 972 C THR A 11 9.808 5.607 31.805 1.00 0.00 C ATOM 973 O THR A 11 9.335 6.335 32.657 1.00 0.00 O ATOM 974 CB THR A 11 12.056 4.703 32.458 1.00 0.00 C ATOM 975 OG1 THR A 11 13.409 4.589 32.041 1.00 0.00 O ATOM 976 CG2 THR A 11 11.409 3.318 32.472 1.00 0.00 C ATOM 0 HA THR A 11 11.447 5.264 30.468 1.00 0.00 H new ATOM 0 HB THR A 11 12.014 5.127 33.461 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.739 5.467 31.759 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.949 2.671 33.163 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.371 3.405 32.792 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.445 2.889 31.471 1.00 0.00 H new ATOM 984 N CYS A 12 9.059 4.784 31.120 1.00 0.00 N ATOM 985 CA CYS A 12 7.594 4.723 31.379 1.00 0.00 C ATOM 986 C CYS A 12 7.357 4.138 32.768 1.00 0.00 C ATOM 987 O CYS A 12 7.573 2.967 33.007 1.00 0.00 O ATOM 988 CB CYS A 12 6.910 3.842 30.335 1.00 0.00 C ATOM 989 SG CYS A 12 5.143 4.222 30.323 1.00 0.00 S ATOM 0 H CYS A 12 9.399 4.153 30.394 1.00 0.00 H new ATOM 0 HA CYS A 12 7.177 5.729 31.321 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.341 4.020 29.350 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.068 2.789 30.567 1.00 0.00 H new ATOM 0 HG CYS A 12 4.620 3.819 29.203 1.00 0.00 H new ATOM 994 N THR A 13 6.914 4.949 33.682 1.00 0.00 N ATOM 995 CA THR A 13 6.672 4.456 35.064 1.00 0.00 C ATOM 996 C THR A 13 5.545 3.422 35.092 1.00 0.00 C ATOM 997 O THR A 13 5.343 2.760 36.089 1.00 0.00 O ATOM 998 CB THR A 13 6.286 5.636 35.951 1.00 0.00 C ATOM 999 OG1 THR A 13 5.060 6.184 35.485 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.384 6.698 35.888 1.00 0.00 C ATOM 0 H THR A 13 6.708 5.937 33.532 1.00 0.00 H new ATOM 0 HA THR A 13 7.584 3.983 35.428 1.00 0.00 H new ATOM 0 HB THR A 13 6.168 5.303 36.982 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.643 6.708 36.200 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.110 7.542 36.521 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.324 6.271 36.239 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.502 7.039 34.859 1.00 0.00 H new ATOM 1008 N ASN A 14 4.795 3.279 34.027 1.00 0.00 N ATOM 1009 CA ASN A 14 3.672 2.290 34.032 1.00 0.00 C ATOM 1010 C ASN A 14 4.076 0.987 33.334 1.00 0.00 C ATOM 1011 O ASN A 14 3.575 -0.063 33.677 1.00 0.00 O ATOM 1012 CB ASN A 14 2.460 2.891 33.313 1.00 0.00 C ATOM 1013 CG ASN A 14 1.814 3.959 34.201 1.00 0.00 C ATOM 1014 OD1 ASN A 14 2.297 4.185 35.393 1.00 0.00 O flip ATOM 1015 ND2 ASN A 14 0.859 4.596 33.803 1.00 0.00 N flip ATOM 0 H ASN A 14 4.911 3.801 33.159 1.00 0.00 H new ATOM 0 HA ASN A 14 3.423 2.063 35.069 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.768 3.330 32.364 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.737 2.109 33.082 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.481 4.420 32.872 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.435 5.306 34.400 1.00 0.00 H new ATOM 1022 N CYS A 15 4.944 1.029 32.350 1.00 0.00 N ATOM 1023 CA CYS A 15 5.325 -0.239 31.643 1.00 0.00 C ATOM 1024 C CYS A 15 6.833 -0.292 31.386 1.00 0.00 C ATOM 1025 O CYS A 15 7.307 -1.143 30.663 1.00 0.00 O ATOM 1026 CB CYS A 15 4.564 -0.342 30.317 1.00 0.00 C ATOM 1027 SG CYS A 15 5.318 0.725 29.063 1.00 0.00 S ATOM 0 H CYS A 15 5.401 1.875 32.008 1.00 0.00 H new ATOM 0 HA CYS A 15 5.059 -1.082 32.281 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.565 -1.376 29.971 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.523 -0.057 30.466 1.00 0.00 H new ATOM 0 HG CYS A 15 5.258 1.963 29.454 1.00 0.00 H new ATOM 1032 N PHE A 16 7.593 0.585 31.986 1.00 0.00 N ATOM 1033 CA PHE A 16 9.077 0.562 31.808 1.00 0.00 C ATOM 1034 C PHE A 16 9.501 0.680 30.339 1.00 0.00 C ATOM 1035 O PHE A 16 10.674 0.617 30.032 1.00 0.00 O ATOM 1036 CB PHE A 16 9.646 -0.733 32.395 1.00 0.00 C ATOM 1037 CG PHE A 16 9.412 -0.748 33.885 1.00 0.00 C ATOM 1038 CD1 PHE A 16 10.337 -0.138 34.739 1.00 0.00 C ATOM 1039 CD2 PHE A 16 8.274 -1.370 34.413 1.00 0.00 C ATOM 1040 CE1 PHE A 16 10.123 -0.149 36.122 1.00 0.00 C ATOM 1041 CE2 PHE A 16 8.063 -1.384 35.797 1.00 0.00 C ATOM 1042 CZ PHE A 16 8.986 -0.772 36.650 1.00 0.00 C ATOM 0 H PHE A 16 7.247 1.324 32.598 1.00 0.00 H new ATOM 0 HA PHE A 16 9.474 1.430 32.333 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.169 -1.597 31.931 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.712 -0.805 32.182 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.215 0.341 34.332 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.559 -1.839 33.753 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.835 0.323 36.782 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.188 -1.867 36.205 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.822 -0.780 37.717 1.00 0.00 H new ATOM 1052 N THR A 17 8.588 0.833 29.421 1.00 0.00 N ATOM 1053 CA THR A 17 9.007 0.931 27.991 1.00 0.00 C ATOM 1054 C THR A 17 9.985 2.094 27.809 1.00 0.00 C ATOM 1055 O THR A 17 9.732 3.205 28.227 1.00 0.00 O ATOM 1056 CB THR A 17 7.768 1.165 27.116 1.00 0.00 C ATOM 1057 OG1 THR A 17 6.989 -0.019 27.083 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.187 1.536 25.690 1.00 0.00 C ATOM 0 H THR A 17 7.584 0.894 29.592 1.00 0.00 H new ATOM 0 HA THR A 17 9.499 0.004 27.697 1.00 0.00 H new ATOM 0 HB THR A 17 7.185 1.984 27.538 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.193 0.098 27.642 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.298 1.699 25.080 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.784 2.447 25.712 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.777 0.726 25.262 1.00 0.00 H new ATOM 1066 N GLN A 18 11.099 1.834 27.167 1.00 0.00 N ATOM 1067 CA GLN A 18 12.110 2.905 26.917 1.00 0.00 C ATOM 1068 C GLN A 18 12.079 3.274 25.430 1.00 0.00 C ATOM 1069 O GLN A 18 12.756 4.184 24.994 1.00 0.00 O ATOM 1070 CB GLN A 18 13.515 2.414 27.303 1.00 0.00 C ATOM 1071 CG GLN A 18 13.841 1.090 26.599 1.00 0.00 C ATOM 1072 CD GLN A 18 13.205 -0.074 27.362 1.00 0.00 C ATOM 1073 OE1 GLN A 18 13.203 -0.089 28.578 1.00 0.00 O ATOM 1074 NE2 GLN A 18 12.659 -1.057 26.696 1.00 0.00 N ATOM 0 H GLN A 18 11.351 0.915 26.803 1.00 0.00 H new ATOM 0 HA GLN A 18 11.872 3.779 27.523 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.255 3.167 27.033 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.575 2.281 28.383 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.469 1.111 25.575 1.00 0.00 H new ATOM 0 HG3 GLN A 18 14.921 0.953 26.544 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.660 -1.045 25.676 1.00 0.00 H new ATOM 0 HE22 GLN A 18 12.231 -1.836 27.196 1.00 0.00 H new ATOM 1083 N THR A 19 11.296 2.566 24.651 1.00 0.00 N ATOM 1084 CA THR A 19 11.202 2.850 23.185 1.00 0.00 C ATOM 1085 C THR A 19 9.765 3.228 22.833 1.00 0.00 C ATOM 1086 O THR A 19 8.830 2.523 23.160 1.00 0.00 O ATOM 1087 CB THR A 19 11.599 1.591 22.405 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.945 1.254 22.709 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.455 1.848 20.904 1.00 0.00 C ATOM 0 H THR A 19 10.712 1.795 24.973 1.00 0.00 H new ATOM 0 HA THR A 19 11.869 3.672 22.926 1.00 0.00 H new ATOM 0 HB THR A 19 10.946 0.766 22.689 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.201 0.448 22.213 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.738 0.951 20.353 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.420 2.103 20.676 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.104 2.673 20.612 1.00 0.00 H new ATOM 1097 N THR A 20 9.573 4.340 22.172 1.00 0.00 N ATOM 1098 CA THR A 20 8.186 4.746 21.816 1.00 0.00 C ATOM 1099 C THR A 20 8.204 5.871 20.769 1.00 0.00 C ATOM 1100 O THR A 20 9.104 6.687 20.751 1.00 0.00 O ATOM 1101 CB THR A 20 7.482 5.253 23.076 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.370 6.058 22.708 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.464 6.085 23.902 1.00 0.00 C ATOM 0 H THR A 20 10.309 4.977 21.867 1.00 0.00 H new ATOM 0 HA THR A 20 7.660 3.886 21.401 1.00 0.00 H new ATOM 0 HB THR A 20 7.134 4.405 23.666 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.381 6.888 23.229 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.966 6.448 24.801 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.317 5.467 24.184 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.810 6.933 23.311 1.00 0.00 H new ATOM 1111 N PRO A 21 7.206 5.932 19.919 1.00 0.00 N ATOM 1112 CA PRO A 21 7.101 6.997 18.876 1.00 0.00 C ATOM 1113 C PRO A 21 6.835 8.366 19.510 1.00 0.00 C ATOM 1114 O PRO A 21 7.152 9.398 18.949 1.00 0.00 O ATOM 1115 CB PRO A 21 5.921 6.542 18.003 1.00 0.00 C ATOM 1116 CG PRO A 21 5.095 5.666 18.889 1.00 0.00 C ATOM 1117 CD PRO A 21 6.070 4.996 19.855 1.00 0.00 C ATOM 0 HA PRO A 21 8.020 7.118 18.303 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.345 7.395 17.644 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.268 5.999 17.124 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.351 6.251 19.430 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.553 4.922 18.305 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.620 4.846 20.836 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.380 4.016 19.493 1.00 0.00 H new ATOM 1125 N VAL A 22 6.258 8.382 20.681 1.00 0.00 N ATOM 1126 CA VAL A 22 5.979 9.683 21.351 1.00 0.00 C ATOM 1127 C VAL A 22 5.719 9.469 22.844 1.00 0.00 C ATOM 1128 O VAL A 22 5.059 8.534 23.254 1.00 0.00 O ATOM 1129 CB VAL A 22 4.765 10.358 20.708 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.547 9.439 20.800 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.476 11.668 21.444 1.00 0.00 C ATOM 0 H VAL A 22 5.969 7.553 21.201 1.00 0.00 H new ATOM 0 HA VAL A 22 6.851 10.326 21.232 1.00 0.00 H new ATOM 0 HB VAL A 22 4.975 10.561 19.658 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.688 9.927 20.340 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.756 8.505 20.279 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.328 9.229 21.847 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.612 12.156 20.993 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.267 11.458 22.493 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.343 12.325 21.372 1.00 0.00 H new ATOM 1141 N TRP A 23 6.258 10.342 23.652 1.00 0.00 N ATOM 1142 CA TRP A 23 6.089 10.236 25.129 1.00 0.00 C ATOM 1143 C TRP A 23 4.837 10.991 25.581 1.00 0.00 C ATOM 1144 O TRP A 23 4.613 12.128 25.217 1.00 0.00 O ATOM 1145 CB TRP A 23 7.319 10.842 25.804 1.00 0.00 C ATOM 1146 CG TRP A 23 8.484 9.928 25.610 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.463 10.079 24.688 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.796 8.716 26.345 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.357 9.029 24.813 1.00 0.00 N ATOM 1150 CE2 TRP A 23 9.987 8.162 25.821 1.00 0.00 C ATOM 1151 CE3 TRP A 23 8.161 8.052 27.407 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.528 6.983 26.337 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.701 6.870 27.928 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.880 6.336 27.395 1.00 0.00 C ATOM 0 H TRP A 23 6.818 11.137 23.345 1.00 0.00 H new ATOM 0 HA TRP A 23 5.980 9.187 25.406 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.536 11.822 25.380 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.130 10.989 26.867 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.535 10.885 23.973 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.187 8.911 24.232 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.250 8.456 27.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.438 6.574 25.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 8.205 6.368 28.745 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.290 5.423 27.801 1.00 0.00 H new ATOM 1165 N ARG A 24 4.018 10.354 26.375 1.00 0.00 N ATOM 1166 CA ARG A 24 2.766 11.000 26.872 1.00 0.00 C ATOM 1167 C ARG A 24 2.983 11.471 28.312 1.00 0.00 C ATOM 1168 O ARG A 24 3.947 11.104 28.954 1.00 0.00 O ATOM 1169 CB ARG A 24 1.637 9.962 26.845 1.00 0.00 C ATOM 1170 CG ARG A 24 1.245 9.622 25.397 1.00 0.00 C ATOM 1171 CD ARG A 24 0.237 10.634 24.837 1.00 0.00 C ATOM 1172 NE ARG A 24 0.081 10.399 23.373 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.959 10.865 22.734 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.888 11.516 23.381 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -1.078 10.666 21.449 1.00 0.00 N ATOM 0 H ARG A 24 4.165 9.400 26.705 1.00 0.00 H new ATOM 0 HA ARG A 24 2.507 11.852 26.244 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.956 9.057 27.363 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.769 10.347 27.381 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.137 9.610 24.770 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.816 8.621 25.360 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.724 10.527 25.341 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.582 11.651 25.021 1.00 0.00 H new ATOM 0 HE ARG A 24 0.791 9.871 22.867 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.802 11.661 24.387 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.699 11.879 22.880 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.359 10.147 20.945 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.890 11.030 20.950 1.00 0.00 H new ATOM 1189 N ARG A 25 2.092 12.281 28.824 1.00 0.00 N ATOM 1190 CA ARG A 25 2.229 12.784 30.226 1.00 0.00 C ATOM 1191 C ARG A 25 0.879 12.682 30.933 1.00 0.00 C ATOM 1192 O ARG A 25 -0.155 12.569 30.307 1.00 0.00 O ATOM 1193 CB ARG A 25 2.702 14.235 30.212 1.00 0.00 C ATOM 1194 CG ARG A 25 4.152 14.264 29.738 1.00 0.00 C ATOM 1195 CD ARG A 25 4.691 15.692 29.787 1.00 0.00 C ATOM 1196 NE ARG A 25 6.111 15.675 29.349 1.00 0.00 N ATOM 1197 CZ ARG A 25 6.706 16.781 29.009 1.00 0.00 C ATOM 1198 NH1 ARG A 25 6.042 17.904 28.995 1.00 0.00 N ATOM 1199 NH2 ARG A 25 7.965 16.759 28.667 1.00 0.00 N ATOM 0 H ARG A 25 1.268 12.619 28.327 1.00 0.00 H new ATOM 0 HA ARG A 25 2.963 12.180 30.759 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.075 14.832 29.550 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.620 14.670 31.208 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.761 13.615 30.367 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.218 13.877 28.721 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.102 16.342 29.139 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.611 16.093 30.798 1.00 0.00 H new ATOM 0 HE ARG A 25 6.621 14.793 29.315 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.055 17.916 29.251 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.510 18.770 28.728 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.478 15.877 28.667 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.436 17.623 28.400 1.00 0.00 H new ATOM 1213 N ASN A 26 0.891 12.693 32.239 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.373 12.564 33.024 1.00 0.00 C ATOM 1215 C ASN A 26 -0.439 13.713 34.042 1.00 0.00 C ATOM 1216 O ASN A 26 0.585 14.193 34.483 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.321 11.198 33.728 1.00 0.00 C ATOM 1218 CG ASN A 26 -1.297 11.135 34.900 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -1.174 11.880 35.850 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -2.274 10.271 34.865 1.00 0.00 N ATOM 0 H ASN A 26 1.735 12.787 32.804 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.260 12.621 32.394 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.558 10.410 33.013 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.691 11.010 34.086 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.938 10.220 35.638 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.374 9.646 34.065 1.00 0.00 H new ATOM 1227 N PRO A 27 -1.614 14.175 34.407 1.00 0.00 N ATOM 1228 CA PRO A 27 -1.754 15.300 35.382 1.00 0.00 C ATOM 1229 C PRO A 27 -0.947 15.066 36.668 1.00 0.00 C ATOM 1230 O PRO A 27 -0.915 15.906 37.546 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.267 15.389 35.663 1.00 0.00 C ATOM 1232 CG PRO A 27 -3.865 14.144 35.081 1.00 0.00 C ATOM 1233 CD PRO A 27 -2.937 13.708 33.950 1.00 0.00 C ATOM 0 HA PRO A 27 -1.356 16.231 34.978 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.463 15.453 36.733 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.698 16.280 35.206 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -3.949 13.363 35.837 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.871 14.335 34.706 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.956 12.628 33.806 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.219 14.161 33.000 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.262 13.957 36.769 1.00 0.00 N ATOM 1242 CA GLU A 28 0.580 13.698 37.975 1.00 0.00 C ATOM 1243 C GLU A 28 2.016 14.099 37.622 1.00 0.00 C ATOM 1244 O GLU A 28 2.870 14.247 38.474 1.00 0.00 O ATOM 1245 CB GLU A 28 0.528 12.211 38.342 1.00 0.00 C ATOM 1246 CG GLU A 28 -0.861 11.866 38.885 1.00 0.00 C ATOM 1247 CD GLU A 28 -0.933 10.372 39.219 1.00 0.00 C ATOM 1248 OE1 GLU A 28 -1.253 9.602 38.329 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -0.674 10.025 40.361 1.00 0.00 O ATOM 0 H GLU A 28 -0.249 13.218 36.067 1.00 0.00 H new ATOM 0 HA GLU A 28 0.217 14.270 38.829 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.749 11.602 37.466 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.289 11.983 39.089 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.070 12.457 39.776 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.623 12.120 38.148 1.00 0.00 H new ATOM 1256 N GLY A 29 2.276 14.265 36.351 1.00 0.00 N ATOM 1257 CA GLY A 29 3.641 14.644 35.890 1.00 0.00 C ATOM 1258 C GLY A 29 4.498 13.384 35.783 1.00 0.00 C ATOM 1259 O GLY A 29 5.702 13.448 35.631 1.00 0.00 O ATOM 0 H GLY A 29 1.590 14.152 35.605 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.586 15.145 34.924 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.092 15.348 36.589 1.00 0.00 H new ATOM 1263 N GLN A 30 3.878 12.237 35.849 1.00 0.00 N ATOM 1264 CA GLN A 30 4.637 10.962 35.742 1.00 0.00 C ATOM 1265 C GLN A 30 4.849 10.650 34.249 1.00 0.00 C ATOM 1266 O GLN A 30 3.886 10.554 33.516 1.00 0.00 O ATOM 1267 CB GLN A 30 3.808 9.849 36.391 1.00 0.00 C ATOM 1268 CG GLN A 30 3.530 10.221 37.848 1.00 0.00 C ATOM 1269 CD GLN A 30 2.604 9.183 38.486 1.00 0.00 C ATOM 1270 OE1 GLN A 30 2.001 8.384 37.798 1.00 0.00 O ATOM 1271 NE2 GLN A 30 2.461 9.166 39.784 1.00 0.00 N ATOM 0 H GLN A 30 2.871 12.130 35.973 1.00 0.00 H new ATOM 0 HA GLN A 30 5.602 11.038 36.243 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.871 9.714 35.851 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.344 8.901 36.340 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.466 10.275 38.403 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.072 11.209 37.899 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.967 9.837 40.362 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.843 8.482 40.220 1.00 0.00 H new ATOM 1280 N PRO A 31 6.069 10.498 33.770 1.00 0.00 N ATOM 1281 CA PRO A 31 6.307 10.203 32.322 1.00 0.00 C ATOM 1282 C PRO A 31 5.609 8.916 31.868 1.00 0.00 C ATOM 1283 O PRO A 31 5.596 7.928 32.572 1.00 0.00 O ATOM 1284 CB PRO A 31 7.834 10.043 32.203 1.00 0.00 C ATOM 1285 CG PRO A 31 8.405 10.696 33.419 1.00 0.00 C ATOM 1286 CD PRO A 31 7.341 10.595 34.514 1.00 0.00 C ATOM 0 HA PRO A 31 5.906 10.996 31.691 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.115 8.991 32.155 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.207 10.514 31.294 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.326 10.201 33.728 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.655 11.738 33.217 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.501 9.722 35.146 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.356 11.468 35.167 1.00 0.00 H new ATOM 1294 N LEU A 32 5.045 8.925 30.688 1.00 0.00 N ATOM 1295 CA LEU A 32 4.355 7.704 30.167 1.00 0.00 C ATOM 1296 C LEU A 32 4.671 7.528 28.680 1.00 0.00 C ATOM 1297 O LEU A 32 4.878 8.484 27.957 1.00 0.00 O ATOM 1298 CB LEU A 32 2.838 7.841 30.345 1.00 0.00 C ATOM 1299 CG LEU A 32 2.477 7.945 31.833 1.00 0.00 C ATOM 1300 CD1 LEU A 32 1.000 8.323 31.967 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.721 6.603 32.540 1.00 0.00 C ATOM 0 H LEU A 32 5.032 9.728 30.059 1.00 0.00 H new ATOM 0 HA LEU A 32 4.708 6.836 30.724 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.483 8.725 29.816 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.335 6.981 29.902 1.00 0.00 H new ATOM 0 HG LEU A 32 3.104 8.707 32.296 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.738 8.398 33.022 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.824 9.282 31.480 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.384 7.558 31.494 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.460 6.694 33.594 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.104 5.831 32.079 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.772 6.330 32.449 1.00 0.00 H new ATOM 1313 N CYS A 33 4.695 6.305 28.217 1.00 0.00 N ATOM 1314 CA CYS A 33 4.974 6.055 26.778 1.00 0.00 C ATOM 1315 C CYS A 33 3.706 6.349 25.976 1.00 0.00 C ATOM 1316 O CYS A 33 2.757 6.906 26.488 1.00 0.00 O ATOM 1317 CB CYS A 33 5.416 4.602 26.574 1.00 0.00 C ATOM 1318 SG CYS A 33 4.022 3.479 26.824 1.00 0.00 S ATOM 0 H CYS A 33 4.533 5.469 28.778 1.00 0.00 H new ATOM 0 HA CYS A 33 5.779 6.705 26.435 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.818 4.475 25.569 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.218 4.358 27.271 1.00 0.00 H new ATOM 0 HG CYS A 33 4.390 2.495 27.589 1.00 0.00 H new ATOM 1323 N ASN A 34 3.682 5.993 24.724 1.00 0.00 N ATOM 1324 CA ASN A 34 2.471 6.272 23.904 1.00 0.00 C ATOM 1325 C ASN A 34 1.337 5.302 24.254 1.00 0.00 C ATOM 1326 O ASN A 34 0.191 5.692 24.357 1.00 0.00 O ATOM 1327 CB ASN A 34 2.812 6.133 22.421 1.00 0.00 C ATOM 1328 CG ASN A 34 3.229 4.694 22.109 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.855 3.988 23.011 1.00 0.00 O flip ATOM 1330 ND2 ASN A 34 2.993 4.212 21.021 1.00 0.00 N flip ATOM 0 H ASN A 34 4.444 5.523 24.234 1.00 0.00 H new ATOM 0 HA ASN A 34 2.140 7.288 24.118 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.950 6.409 21.814 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.618 6.818 22.160 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.504 4.762 20.315 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.284 3.257 20.812 1.00 0.00 H new ATOM 1337 N ALA A 35 1.637 4.040 24.400 1.00 0.00 N ATOM 1338 CA ALA A 35 0.569 3.042 24.698 1.00 0.00 C ATOM 1339 C ALA A 35 -0.119 3.334 26.036 1.00 0.00 C ATOM 1340 O ALA A 35 -1.329 3.403 26.113 1.00 0.00 O ATOM 1341 CB ALA A 35 1.193 1.648 24.735 1.00 0.00 C ATOM 0 H ALA A 35 2.579 3.656 24.326 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.188 3.101 23.916 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.421 0.910 24.952 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.646 1.426 23.769 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.958 1.612 25.511 1.00 0.00 H new ATOM 1347 N CYS A 36 0.633 3.476 27.093 1.00 0.00 N ATOM 1348 CA CYS A 36 0.008 3.730 28.425 1.00 0.00 C ATOM 1349 C CYS A 36 -0.835 5.004 28.388 1.00 0.00 C ATOM 1350 O CYS A 36 -1.923 5.055 28.926 1.00 0.00 O ATOM 1351 CB CYS A 36 1.102 3.899 29.479 1.00 0.00 C ATOM 1352 SG CYS A 36 1.980 2.336 29.720 1.00 0.00 S ATOM 0 H CYS A 36 1.652 3.427 27.093 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.630 2.882 28.673 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.802 4.674 29.167 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.663 4.227 30.421 1.00 0.00 H new ATOM 0 HG CYS A 36 3.228 2.577 29.995 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.343 6.037 27.767 1.00 0.00 N ATOM 1358 CA GLY A 37 -1.121 7.306 27.712 1.00 0.00 C ATOM 1359 C GLY A 37 -2.452 7.068 26.998 1.00 0.00 C ATOM 1360 O GLY A 37 -3.500 7.463 27.470 1.00 0.00 O ATOM 0 H GLY A 37 0.561 6.059 27.296 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.301 7.677 28.721 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.549 8.072 27.188 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.423 6.436 25.858 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.688 6.185 25.112 1.00 0.00 C ATOM 1366 C LEU A 38 -4.553 5.155 25.840 1.00 0.00 C ATOM 1367 O LEU A 38 -5.733 5.350 26.046 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.344 5.624 23.732 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.522 6.645 22.936 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -1.864 5.941 21.744 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.431 7.772 22.428 1.00 0.00 C ATOM 0 H LEU A 38 -1.578 6.082 25.410 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.236 7.124 25.032 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.781 4.697 23.838 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.259 5.382 23.191 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.756 7.073 23.582 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.278 6.662 21.174 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.211 5.147 22.106 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.635 5.513 21.104 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.838 8.492 21.864 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.203 7.354 21.783 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.899 8.272 23.276 1.00 0.00 H new ATOM 1383 N PHE A 39 -3.979 4.037 26.187 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.763 2.959 26.855 1.00 0.00 C ATOM 1385 C PHE A 39 -5.184 3.343 28.275 1.00 0.00 C ATOM 1386 O PHE A 39 -6.327 3.181 28.655 1.00 0.00 O ATOM 1387 CB PHE A 39 -3.896 1.704 26.936 1.00 0.00 C ATOM 1388 CG PHE A 39 -4.682 0.588 27.585 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -4.812 0.536 28.979 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.285 -0.392 26.789 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -5.546 -0.494 29.576 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.019 -1.424 27.385 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.150 -1.475 28.779 1.00 0.00 C ATOM 0 H PHE A 39 -2.994 3.822 26.036 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.665 2.791 26.267 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.577 1.405 25.938 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.993 1.909 27.511 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.345 1.292 29.593 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.184 -0.352 25.714 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.647 -0.533 30.651 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.484 -2.181 26.771 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.717 -2.271 29.239 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.261 3.793 29.081 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.606 4.115 30.497 1.00 0.00 C ATOM 1405 C LEU A 40 -5.681 5.198 30.552 1.00 0.00 C ATOM 1406 O LEU A 40 -6.671 5.068 31.243 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.356 4.612 31.231 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.619 4.669 32.746 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -3.588 3.253 33.354 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.542 5.531 33.416 1.00 0.00 C ATOM 0 H LEU A 40 -3.287 3.951 28.823 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.985 3.212 30.976 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.516 3.949 31.025 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.079 5.601 30.865 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.604 5.103 32.915 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.776 3.313 34.426 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.356 2.639 32.885 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.610 2.804 33.182 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.726 5.573 34.490 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.560 5.094 33.233 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.573 6.539 33.003 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.496 6.272 29.846 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.512 7.352 29.890 1.00 0.00 C ATOM 1424 C LYS A 41 -7.846 6.849 29.327 1.00 0.00 C ATOM 1425 O LYS A 41 -8.900 7.136 29.860 1.00 0.00 O ATOM 1426 CB LYS A 41 -6.030 8.550 29.070 1.00 0.00 C ATOM 1427 CG LYS A 41 -7.027 9.696 29.237 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.579 10.902 28.413 1.00 0.00 C ATOM 1429 CE LYS A 41 -7.601 12.023 28.586 1.00 0.00 C ATOM 1430 NZ LYS A 41 -8.886 11.615 27.953 1.00 0.00 N ATOM 0 H LYS A 41 -4.692 6.449 29.244 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.656 7.655 30.927 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.039 8.860 29.402 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.942 8.277 28.018 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.019 9.376 28.918 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.104 9.972 30.289 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.594 11.236 28.738 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.492 10.629 27.361 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.754 12.232 29.645 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.232 12.941 28.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.448 12.462 27.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.690 11.090 27.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.419 11.008 28.608 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.820 6.124 28.243 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.106 5.648 27.656 1.00 0.00 C ATOM 1446 C LEU A 42 -9.746 4.589 28.561 1.00 0.00 C ATOM 1447 O LEU A 42 -10.949 4.566 28.738 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.851 5.043 26.271 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.461 6.139 25.267 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -8.074 5.485 23.937 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.632 7.112 25.044 1.00 0.00 C ATOM 0 H LEU A 42 -6.977 5.843 27.743 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.783 6.497 27.567 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.056 4.300 26.333 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.745 4.525 25.924 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.617 6.702 25.666 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.796 6.257 23.219 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.229 4.814 24.094 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.921 4.918 23.550 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.336 7.880 24.330 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.490 6.565 24.653 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.901 7.581 25.991 1.00 0.00 H new ATOM 1463 N HIS A 43 -8.970 3.699 29.122 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.565 2.633 29.986 1.00 0.00 C ATOM 1465 C HIS A 43 -9.734 3.112 31.432 1.00 0.00 C ATOM 1466 O HIS A 43 -10.672 2.731 32.105 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.656 1.405 29.959 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.723 0.773 28.596 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -7.868 1.137 27.569 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.550 -0.189 28.071 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.196 0.405 26.489 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -9.215 -0.420 26.740 1.00 0.00 N ATOM 0 H HIS A 43 -7.956 3.663 29.021 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.552 2.385 29.596 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.630 1.691 30.191 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.967 0.690 30.721 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.125 1.834 27.622 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.341 -0.690 28.609 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.696 0.476 25.535 1.00 0.00 H new ATOM 1480 N GLY A 44 -8.853 3.932 31.932 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.007 4.406 33.338 1.00 0.00 C ATOM 1482 C GLY A 44 -8.746 3.265 34.330 1.00 0.00 C ATOM 1483 O GLY A 44 -8.940 3.425 35.519 1.00 0.00 O ATOM 0 H GLY A 44 -8.039 4.293 31.434 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.313 5.225 33.528 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.013 4.799 33.486 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.310 2.119 33.867 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.042 0.982 34.808 1.00 0.00 C ATOM 1489 C VAL A 45 -6.778 0.229 34.392 1.00 0.00 C ATOM 1490 O VAL A 45 -6.492 0.053 33.223 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.225 0.012 34.812 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -10.412 0.657 35.532 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -9.609 -0.322 33.369 1.00 0.00 C ATOM 0 H VAL A 45 -8.128 1.920 32.883 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.902 1.393 35.808 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.948 -0.905 35.333 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.255 -0.034 35.535 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.131 0.891 36.559 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.696 1.574 35.016 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.452 -1.013 33.367 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.889 0.592 32.846 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.760 -0.784 32.864 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.026 -0.219 35.358 1.00 0.00 N ATOM 1504 CA VAL A 46 -4.770 -0.969 35.067 1.00 0.00 C ATOM 1505 C VAL A 46 -5.061 -2.191 34.195 1.00 0.00 C ATOM 1506 O VAL A 46 -6.142 -2.746 34.217 1.00 0.00 O ATOM 1507 CB VAL A 46 -4.138 -1.437 36.381 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -3.746 -0.217 37.217 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -5.143 -2.294 37.156 1.00 0.00 C ATOM 0 H VAL A 46 -6.230 -0.096 36.350 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.088 -0.306 34.535 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.249 -2.031 36.168 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.296 -0.547 38.153 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.029 0.389 36.663 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.634 0.378 37.431 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.693 -2.627 38.091 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.034 -1.704 37.372 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.419 -3.162 36.557 1.00 0.00 H new ATOM 1519 N ARG A 47 -4.090 -2.615 33.428 1.00 0.00 N ATOM 1520 CA ARG A 47 -4.273 -3.805 32.545 1.00 0.00 C ATOM 1521 C ARG A 47 -2.955 -4.594 32.531 1.00 0.00 C ATOM 1522 O ARG A 47 -1.899 -4.000 32.434 1.00 0.00 O ATOM 1523 CB ARG A 47 -4.615 -3.299 31.133 1.00 0.00 C ATOM 1524 CG ARG A 47 -4.659 -4.441 30.093 1.00 0.00 C ATOM 1525 CD ARG A 47 -6.079 -5.033 29.963 1.00 0.00 C ATOM 1526 NE ARG A 47 -6.893 -4.745 31.180 1.00 0.00 N ATOM 1527 CZ ARG A 47 -8.193 -4.840 31.132 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -8.780 -5.156 30.012 1.00 0.00 N ATOM 1529 NH2 ARG A 47 -8.907 -4.611 32.201 1.00 0.00 N ATOM 0 H ARG A 47 -3.168 -2.182 33.376 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.075 -4.453 32.900 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.581 -2.794 31.155 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.875 -2.560 30.826 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.330 -4.065 29.124 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.961 -5.226 30.384 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.572 -4.616 29.085 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.015 -6.110 29.811 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.433 -4.474 32.049 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.223 -5.329 29.175 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.796 -5.231 29.972 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.448 -4.357 33.076 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.923 -4.686 32.161 1.00 0.00 H new ATOM 1543 N PRO A 48 -2.996 -5.912 32.614 1.00 0.00 N ATOM 1544 CA PRO A 48 -1.767 -6.746 32.597 1.00 0.00 C ATOM 1545 C PRO A 48 -0.654 -6.125 31.750 1.00 0.00 C ATOM 1546 O PRO A 48 -0.621 -6.257 30.543 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.257 -8.061 31.995 1.00 0.00 C ATOM 1548 CG PRO A 48 -3.669 -8.195 32.484 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.193 -6.769 32.741 1.00 0.00 C ATOM 0 HA PRO A 48 -1.322 -6.858 33.586 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.214 -8.039 30.906 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -1.643 -8.900 32.321 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.286 -8.706 31.745 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.706 -8.790 33.396 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.960 -6.491 32.018 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -4.641 -6.682 33.731 1.00 0.00 H new ATOM 1557 N LEU A 49 0.251 -5.445 32.392 1.00 0.00 N ATOM 1558 CA LEU A 49 1.373 -4.806 31.653 1.00 0.00 C ATOM 1559 C LEU A 49 2.139 -5.905 30.907 1.00 0.00 C ATOM 1560 O LEU A 49 2.938 -5.641 30.031 1.00 0.00 O ATOM 1561 CB LEU A 49 2.291 -4.077 32.643 1.00 0.00 C ATOM 1562 CG LEU A 49 1.500 -2.993 33.395 1.00 0.00 C ATOM 1563 CD1 LEU A 49 2.347 -2.460 34.558 1.00 0.00 C ATOM 1564 CD2 LEU A 49 1.144 -1.830 32.450 1.00 0.00 C ATOM 0 H LEU A 49 0.262 -5.303 33.402 1.00 0.00 H new ATOM 0 HA LEU A 49 0.998 -4.074 30.938 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.713 -4.789 33.352 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.127 -3.625 32.110 1.00 0.00 H new ATOM 0 HG LEU A 49 0.578 -3.432 33.775 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.789 -1.692 35.093 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.584 -3.277 35.240 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.271 -2.032 34.169 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.585 -1.073 33.000 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.059 -1.389 32.055 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.536 -2.204 31.626 1.00 0.00 H new ATOM 1576 N SER A 50 1.891 -7.141 31.255 1.00 0.00 N ATOM 1577 CA SER A 50 2.590 -8.279 30.584 1.00 0.00 C ATOM 1578 C SER A 50 2.287 -8.273 29.081 1.00 0.00 C ATOM 1579 O SER A 50 2.884 -9.007 28.319 1.00 0.00 O ATOM 1580 CB SER A 50 2.107 -9.602 31.179 1.00 0.00 C ATOM 1581 OG SER A 50 2.391 -9.629 32.570 1.00 0.00 O ATOM 0 H SER A 50 1.229 -7.413 31.981 1.00 0.00 H new ATOM 0 HA SER A 50 3.663 -8.170 30.740 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.036 -9.717 31.014 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.598 -10.438 30.681 1.00 0.00 H new ATOM 0 HG SER A 50 2.080 -10.476 32.951 1.00 0.00 H new ATOM 1587 N LEU A 51 1.387 -7.437 28.645 1.00 0.00 N ATOM 1588 CA LEU A 51 1.080 -7.376 27.188 1.00 0.00 C ATOM 1589 C LEU A 51 2.248 -6.674 26.509 1.00 0.00 C ATOM 1590 O LEU A 51 2.586 -6.936 25.372 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.171 -6.529 26.960 1.00 0.00 C ATOM 1592 CG LEU A 51 -1.377 -7.138 27.687 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -2.416 -6.042 27.922 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -2.008 -8.239 26.826 1.00 0.00 C ATOM 0 H LEU A 51 0.852 -6.796 29.231 1.00 0.00 H new ATOM 0 HA LEU A 51 0.921 -8.380 26.794 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.001 -5.514 27.317 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.380 -6.460 25.892 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.049 -7.564 28.635 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.279 -6.463 28.438 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.979 -5.251 28.531 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.733 -5.629 26.964 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.863 -8.666 27.350 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.338 -7.815 25.878 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.272 -9.020 26.637 1.00 0.00 H new ATOM 1606 N LYS A 52 2.857 -5.766 27.218 1.00 0.00 N ATOM 1607 CA LYS A 52 4.006 -5.009 26.656 1.00 0.00 C ATOM 1608 C LYS A 52 4.973 -5.938 25.922 1.00 0.00 C ATOM 1609 O LYS A 52 5.006 -7.136 26.129 1.00 0.00 O ATOM 1610 CB LYS A 52 4.745 -4.296 27.793 1.00 0.00 C ATOM 1611 CG LYS A 52 6.079 -3.741 27.282 1.00 0.00 C ATOM 1612 CD LYS A 52 6.653 -2.771 28.306 1.00 0.00 C ATOM 1613 CE LYS A 52 8.133 -2.527 28.009 1.00 0.00 C ATOM 1614 NZ LYS A 52 8.884 -3.806 28.149 1.00 0.00 N ATOM 0 H LYS A 52 2.604 -5.514 28.173 1.00 0.00 H new ATOM 0 HA LYS A 52 3.624 -4.281 25.941 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.131 -3.486 28.186 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.921 -4.990 28.615 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.780 -4.557 27.105 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.932 -3.234 26.328 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.106 -1.829 28.276 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.535 -3.176 29.311 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.252 -2.131 27.000 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.534 -1.780 28.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.863 -3.604 28.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.427 -4.400 28.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.887 -4.308 27.238 1.00 0.00 H new ATOM 1628 N THR A 53 5.781 -5.357 25.082 1.00 0.00 N ATOM 1629 CA THR A 53 6.799 -6.132 24.321 1.00 0.00 C ATOM 1630 C THR A 53 7.994 -5.223 24.050 1.00 0.00 C ATOM 1631 O THR A 53 7.924 -4.027 24.255 1.00 0.00 O ATOM 1632 CB THR A 53 6.218 -6.608 22.994 1.00 0.00 C ATOM 1633 OG1 THR A 53 7.272 -7.091 22.174 1.00 0.00 O ATOM 1634 CG2 THR A 53 5.507 -5.444 22.298 1.00 0.00 C ATOM 0 H THR A 53 5.779 -4.356 24.887 1.00 0.00 H new ATOM 0 HA THR A 53 7.104 -7.002 24.902 1.00 0.00 H new ATOM 0 HB THR A 53 5.498 -7.408 23.171 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.038 -7.978 21.829 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.092 -5.786 21.350 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.702 -5.076 22.935 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.220 -4.640 22.114 1.00 0.00 H new ATOM 1642 N ASP A 54 9.092 -5.770 23.605 1.00 0.00 N ATOM 1643 CA ASP A 54 10.296 -4.924 23.335 1.00 0.00 C ATOM 1644 C ASP A 54 10.368 -4.603 21.843 1.00 0.00 C ATOM 1645 O ASP A 54 11.323 -4.015 21.375 1.00 0.00 O ATOM 1646 CB ASP A 54 11.557 -5.690 23.734 1.00 0.00 C ATOM 1647 CG ASP A 54 11.608 -5.844 25.255 1.00 0.00 C ATOM 1648 OD1 ASP A 54 11.076 -4.984 25.938 1.00 0.00 O ATOM 1649 OD2 ASP A 54 12.182 -6.818 25.712 1.00 0.00 O ATOM 0 H ASP A 54 9.210 -6.765 23.416 1.00 0.00 H new ATOM 0 HA ASP A 54 10.223 -4.002 23.911 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.563 -6.671 23.259 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.442 -5.160 23.383 1.00 0.00 H new ATOM 1654 N VAL A 55 9.363 -4.980 21.095 1.00 0.00 N ATOM 1655 CA VAL A 55 9.351 -4.700 19.627 1.00 0.00 C ATOM 1656 C VAL A 55 8.040 -3.990 19.283 1.00 0.00 C ATOM 1657 O VAL A 55 7.007 -4.266 19.860 1.00 0.00 O ATOM 1658 CB VAL A 55 9.467 -6.018 18.850 1.00 0.00 C ATOM 1659 CG1 VAL A 55 8.154 -6.806 18.932 1.00 0.00 C ATOM 1660 CG2 VAL A 55 9.791 -5.714 17.386 1.00 0.00 C ATOM 0 H VAL A 55 8.542 -5.475 21.442 1.00 0.00 H new ATOM 0 HA VAL A 55 10.194 -4.065 19.353 1.00 0.00 H new ATOM 0 HB VAL A 55 10.263 -6.619 19.289 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.254 -7.738 18.376 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.928 -7.028 19.975 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.346 -6.213 18.504 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.874 -6.648 16.830 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.995 -5.106 16.956 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.735 -5.171 17.327 1.00 0.00 H new ATOM 1670 N ILE A 56 8.084 -3.065 18.359 1.00 0.00 N ATOM 1671 CA ILE A 56 6.854 -2.309 17.973 1.00 0.00 C ATOM 1672 C ILE A 56 6.552 -2.552 16.496 1.00 0.00 C ATOM 1673 O ILE A 56 7.435 -2.557 15.661 1.00 0.00 O ATOM 1674 CB ILE A 56 7.081 -0.814 18.210 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.386 -0.576 19.690 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.821 -0.031 17.829 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.853 0.865 19.887 1.00 0.00 C ATOM 0 H ILE A 56 8.927 -2.799 17.851 1.00 0.00 H new ATOM 0 HA ILE A 56 6.012 -2.648 18.576 1.00 0.00 H new ATOM 0 HB ILE A 56 7.918 -0.478 17.598 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.497 -0.767 20.291 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.156 -1.269 20.030 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.988 1.033 18.000 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.593 -0.198 16.776 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.984 -0.369 18.440 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.071 1.036 20.941 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.753 1.040 19.298 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.069 1.549 19.563 1.00 0.00 H new ATOM 1689 N LYS A 57 5.306 -2.753 16.170 1.00 0.00 N ATOM 1690 CA LYS A 57 4.939 -3.000 14.749 1.00 0.00 C ATOM 1691 C LYS A 57 4.962 -1.674 13.989 1.00 0.00 C ATOM 1692 O LYS A 57 4.377 -0.694 14.407 1.00 0.00 O ATOM 1693 CB LYS A 57 3.525 -3.585 14.693 1.00 0.00 C ATOM 1694 CG LYS A 57 3.191 -4.055 13.265 1.00 0.00 C ATOM 1695 CD LYS A 57 3.660 -5.508 13.054 1.00 0.00 C ATOM 1696 CE LYS A 57 2.567 -6.484 13.500 1.00 0.00 C ATOM 1697 NZ LYS A 57 1.444 -6.437 12.522 1.00 0.00 N ATOM 0 H LYS A 57 4.526 -2.757 16.827 1.00 0.00 H new ATOM 0 HA LYS A 57 5.646 -3.696 14.299 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.444 -4.423 15.386 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.802 -2.835 15.014 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.117 -3.984 13.094 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.673 -3.401 12.538 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.898 -5.672 12.003 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.574 -5.689 13.620 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.969 -7.495 13.563 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.210 -6.220 14.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.922 -7.336 12.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.802 -5.657 12.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.823 -6.285 11.565 1.00 0.00 H new ATOM 1711 N LYS A 58 5.642 -1.639 12.876 1.00 0.00 N ATOM 1712 CA LYS A 58 5.714 -0.384 12.079 1.00 0.00 C ATOM 1713 C LYS A 58 4.510 -0.307 11.140 1.00 0.00 C ATOM 1714 O LYS A 58 4.297 -1.183 10.326 1.00 0.00 O ATOM 1715 CB LYS A 58 7.006 -0.388 11.256 1.00 0.00 C ATOM 1716 CG LYS A 58 8.202 -0.403 12.206 1.00 0.00 C ATOM 1717 CD LYS A 58 9.497 -0.394 11.394 1.00 0.00 C ATOM 1718 CE LYS A 58 10.687 -0.411 12.350 1.00 0.00 C ATOM 1719 NZ LYS A 58 11.952 -0.381 11.569 1.00 0.00 N ATOM 0 H LYS A 58 6.153 -2.430 12.483 1.00 0.00 H new ATOM 0 HA LYS A 58 5.706 0.478 12.746 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.033 -1.260 10.603 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.046 0.492 10.614 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.167 0.464 12.865 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.165 -1.288 12.841 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.533 -1.261 10.734 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.537 0.492 10.760 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.641 0.447 13.020 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.653 -1.304 12.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.763 -0.393 12.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.996 -1.213 10.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.984 0.484 10.992 1.00 0.00 H new ATOM 1733 N ARG A 59 3.715 0.727 11.241 1.00 0.00 N ATOM 1734 CA ARG A 59 2.523 0.842 10.349 1.00 0.00 C ATOM 1735 C ARG A 59 2.905 1.692 9.139 1.00 0.00 C ATOM 1736 O ARG A 59 4.009 2.194 9.049 1.00 0.00 O ATOM 1737 CB ARG A 59 1.379 1.533 11.095 1.00 0.00 C ATOM 1738 CG ARG A 59 1.057 0.776 12.387 1.00 0.00 C ATOM 1739 CD ARG A 59 0.452 -0.594 12.062 1.00 0.00 C ATOM 1740 NE ARG A 59 -0.377 -1.064 13.215 1.00 0.00 N ATOM 1741 CZ ARG A 59 0.104 -1.131 14.429 1.00 0.00 C ATOM 1742 NH1 ARG A 59 1.371 -0.918 14.662 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -0.687 -1.458 15.414 1.00 0.00 N ATOM 0 H ARG A 59 3.839 1.495 11.901 1.00 0.00 H new ATOM 0 HA ARG A 59 2.202 -0.152 10.037 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.655 2.562 11.327 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.494 1.576 10.460 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.964 0.650 12.979 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.360 1.355 12.992 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.161 -0.528 11.163 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.245 -1.313 11.854 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.345 -1.340 13.050 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.001 -0.696 13.891 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.731 -0.974 15.615 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.671 -1.659 15.233 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.322 -1.513 16.365 1.00 0.00 H new ATOM 1757 N ASN A 60 2.016 1.855 8.201 1.00 0.00 N ATOM 1758 CA ASN A 60 2.365 2.664 7.004 1.00 0.00 C ATOM 1759 C ASN A 60 2.342 4.149 7.379 1.00 0.00 C ATOM 1760 O ASN A 60 2.209 4.509 8.531 1.00 0.00 O ATOM 1761 CB ASN A 60 1.360 2.398 5.880 1.00 0.00 C ATOM 1762 CG ASN A 60 1.427 0.926 5.468 1.00 0.00 C ATOM 1763 OD1 ASN A 60 2.572 0.301 5.502 1.00 0.00 O flip ATOM 1764 ND2 ASN A 60 0.425 0.339 5.114 1.00 0.00 N flip ATOM 0 H ASN A 60 1.073 1.467 8.211 1.00 0.00 H new ATOM 0 HA ASN A 60 3.361 2.388 6.657 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.352 2.647 6.213 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.580 3.036 5.024 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.470 0.828 5.088 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.478 -0.643 4.843 1.00 0.00 H new