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 157:sc= 1.33 USER MOD Set 1.2: A 15 CYS SG : rot -58:sc= -0.172! USER MOD Set 1.3: A 17 THR OG1 : rot 97:sc= -2.52! USER MOD Set 1.4: A 33 CYS SG : rot -132:sc= 1.23 USER MOD Set 1.5: A 36 CYS SG : rot 145:sc= 0.128 USER MOD Set 1.6: A 52 LYS NZ :NH3+ -179:sc= 0.964! (180deg=0.484) USER MOD Set 2.1: A 20 THR OG1 : rot -120:sc= -0.52 USER MOD Set 2.2: A 34 ASN : amide:sc= -2.61 K(o=-3.1,f=-12!) USER MOD Single : A 11 THR OG1 : rot 31:sc= 0.102 USER MOD Single : A 13 THR OG1 : rot 160:sc= 0.0021 USER MOD Single : A 14 ASN : amide:sc= -5.4! C(o=-5.4!,f=-4.2!) USER MOD Single : A 18 GLN : amide:sc= -1.32 K(o=-1.3,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -9.55! K(o=-9.5!,f=-1.9) USER MOD Single : A 30 GLN : amide:sc= -0.841 K(o=-0.84,f=-0.06) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -6.06! X(o=-6.1!,f=-5.9) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.263 USER MOD Single : A 57 LYS NZ :NH3+ -150:sc= -0.18 (180deg=-0.824) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.69! C(o=-1.7!,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 11.874 6.952 31.395 1.00 0.00 N ATOM 971 CA THR A 11 11.476 5.517 31.555 1.00 0.00 C ATOM 972 C THR A 11 9.998 5.461 31.960 1.00 0.00 C ATOM 973 O THR A 11 9.578 6.134 32.882 1.00 0.00 O ATOM 974 CB THR A 11 12.333 4.878 32.655 1.00 0.00 C ATOM 975 OG1 THR A 11 13.702 4.945 32.279 1.00 0.00 O ATOM 976 CG2 THR A 11 11.934 3.411 32.874 1.00 0.00 C ATOM 0 HA THR A 11 11.625 4.977 30.620 1.00 0.00 H new ATOM 0 HB THR A 11 12.173 5.423 33.585 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.852 5.744 31.732 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.555 2.978 33.658 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.886 3.359 33.170 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.077 2.853 31.949 1.00 0.00 H new ATOM 984 N CYS A 12 9.202 4.682 31.276 1.00 0.00 N ATOM 985 CA CYS A 12 7.750 4.615 31.625 1.00 0.00 C ATOM 986 C CYS A 12 7.559 4.122 33.060 1.00 0.00 C ATOM 987 O CYS A 12 7.792 2.970 33.369 1.00 0.00 O ATOM 988 CB CYS A 12 7.033 3.666 30.678 1.00 0.00 C ATOM 989 SG CYS A 12 5.252 3.950 30.799 1.00 0.00 S ATOM 0 H CYS A 12 9.491 4.092 30.495 1.00 0.00 H new ATOM 0 HA CYS A 12 7.333 5.618 31.534 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.372 3.828 29.655 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.268 2.632 30.932 1.00 0.00 H new ATOM 0 HG CYS A 12 4.672 3.541 29.710 1.00 0.00 H new ATOM 994 N THR A 13 7.119 4.982 33.933 1.00 0.00 N ATOM 995 CA THR A 13 6.912 4.570 35.349 1.00 0.00 C ATOM 996 C THR A 13 5.790 3.530 35.466 1.00 0.00 C ATOM 997 O THR A 13 5.613 2.930 36.510 1.00 0.00 O ATOM 998 CB THR A 13 6.563 5.798 36.192 1.00 0.00 C ATOM 999 OG1 THR A 13 5.524 6.534 35.558 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.801 6.682 36.342 1.00 0.00 C ATOM 0 H THR A 13 6.893 5.955 33.727 1.00 0.00 H new ATOM 0 HA THR A 13 7.835 4.118 35.713 1.00 0.00 H new ATOM 0 HB THR A 13 6.226 5.477 37.177 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.085 7.112 36.216 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.553 7.557 36.943 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.594 6.118 36.833 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.141 7.002 35.357 1.00 0.00 H new ATOM 1008 N ASN A 14 5.031 3.301 34.421 1.00 0.00 N ATOM 1009 CA ASN A 14 3.927 2.290 34.494 1.00 0.00 C ATOM 1010 C ASN A 14 4.376 0.971 33.863 1.00 0.00 C ATOM 1011 O ASN A 14 3.940 -0.091 34.265 1.00 0.00 O ATOM 1012 CB ASN A 14 2.708 2.800 33.725 1.00 0.00 C ATOM 1013 CG ASN A 14 2.078 3.968 34.480 1.00 0.00 C ATOM 1014 OD1 ASN A 14 1.125 4.563 34.015 1.00 0.00 O ATOM 1015 ND2 ASN A 14 2.575 4.328 35.632 1.00 0.00 N ATOM 0 H ASN A 14 5.128 3.770 33.520 1.00 0.00 H new ATOM 0 HA ASN A 14 3.674 2.131 35.542 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.003 3.117 32.725 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.980 1.998 33.603 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.164 5.109 36.143 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.374 3.828 36.021 1.00 0.00 H new ATOM 1022 N CYS A 15 5.227 1.018 32.867 1.00 0.00 N ATOM 1023 CA CYS A 15 5.684 -0.249 32.211 1.00 0.00 C ATOM 1024 C CYS A 15 7.168 -0.155 31.838 1.00 0.00 C ATOM 1025 O CYS A 15 7.643 -0.876 30.983 1.00 0.00 O ATOM 1026 CB CYS A 15 4.847 -0.522 30.951 1.00 0.00 C ATOM 1027 SG CYS A 15 5.450 0.465 29.557 1.00 0.00 S ATOM 0 H CYS A 15 5.624 1.874 32.481 1.00 0.00 H new ATOM 0 HA CYS A 15 5.551 -1.070 32.915 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.893 -1.582 30.700 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.801 -0.286 31.145 1.00 0.00 H new ATOM 0 HG CYS A 15 5.406 1.727 29.867 1.00 0.00 H new ATOM 1032 N PHE A 16 7.900 0.727 32.468 1.00 0.00 N ATOM 1033 CA PHE A 16 9.360 0.882 32.178 1.00 0.00 C ATOM 1034 C PHE A 16 9.677 0.915 30.679 1.00 0.00 C ATOM 1035 O PHE A 16 10.831 0.901 30.299 1.00 0.00 O ATOM 1036 CB PHE A 16 10.160 -0.239 32.850 1.00 0.00 C ATOM 1037 CG PHE A 16 9.882 -1.569 32.189 1.00 0.00 C ATOM 1038 CD1 PHE A 16 10.664 -1.990 31.105 1.00 0.00 C ATOM 1039 CD2 PHE A 16 8.864 -2.394 32.679 1.00 0.00 C ATOM 1040 CE1 PHE A 16 10.422 -3.236 30.511 1.00 0.00 C ATOM 1041 CE2 PHE A 16 8.618 -3.637 32.082 1.00 0.00 C ATOM 1042 CZ PHE A 16 9.398 -4.059 30.998 1.00 0.00 C ATOM 0 H PHE A 16 7.542 1.359 33.185 1.00 0.00 H new ATOM 0 HA PHE A 16 9.653 1.848 32.589 1.00 0.00 H new ATOM 0 HB2 PHE A 16 11.225 -0.016 32.793 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.901 -0.293 33.908 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.452 -1.355 30.728 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.267 -2.072 33.519 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.026 -3.562 29.677 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.827 -4.270 32.457 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.210 -5.018 30.538 1.00 0.00 H new ATOM 1052 N THR A 17 8.702 0.947 29.815 1.00 0.00 N ATOM 1053 CA THR A 17 9.033 0.961 28.362 1.00 0.00 C ATOM 1054 C THR A 17 9.967 2.132 28.057 1.00 0.00 C ATOM 1055 O THR A 17 9.662 3.277 28.318 1.00 0.00 O ATOM 1056 CB THR A 17 7.744 1.103 27.539 1.00 0.00 C ATOM 1057 OG1 THR A 17 7.049 -0.134 27.548 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.077 1.483 26.094 1.00 0.00 C ATOM 0 H THR A 17 7.708 0.964 30.044 1.00 0.00 H new ATOM 0 HA THR A 17 9.529 0.027 28.098 1.00 0.00 H new ATOM 0 HB THR A 17 7.125 1.885 27.978 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.353 -0.113 28.237 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.155 1.580 25.522 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.614 2.432 26.082 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.700 0.708 25.648 1.00 0.00 H new ATOM 1066 N GLN A 18 11.103 1.833 27.484 1.00 0.00 N ATOM 1067 CA GLN A 18 12.091 2.887 27.120 1.00 0.00 C ATOM 1068 C GLN A 18 11.987 3.179 25.618 1.00 0.00 C ATOM 1069 O GLN A 18 12.517 4.158 25.128 1.00 0.00 O ATOM 1070 CB GLN A 18 13.497 2.378 27.450 1.00 0.00 C ATOM 1071 CG GLN A 18 13.685 2.312 28.971 1.00 0.00 C ATOM 1072 CD GLN A 18 15.066 1.738 29.299 1.00 0.00 C ATOM 1073 OE1 GLN A 18 15.541 1.873 30.407 1.00 0.00 O ATOM 1074 NE2 GLN A 18 15.728 1.086 28.384 1.00 0.00 N ATOM 0 H GLN A 18 11.392 0.883 27.249 1.00 0.00 H new ATOM 0 HA GLN A 18 11.890 3.801 27.679 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.648 1.391 27.013 1.00 0.00 H new ATOM 0 HB3 GLN A 18 14.245 3.038 27.011 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.583 3.308 29.403 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.908 1.691 29.416 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.331 0.971 27.452 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.643 0.691 28.601 1.00 0.00 H new ATOM 1083 N THR A 19 11.306 2.332 24.885 1.00 0.00 N ATOM 1084 CA THR A 19 11.152 2.536 23.412 1.00 0.00 C ATOM 1085 C THR A 19 9.708 2.945 23.107 1.00 0.00 C ATOM 1086 O THR A 19 8.774 2.240 23.433 1.00 0.00 O ATOM 1087 CB THR A 19 11.466 1.217 22.700 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.742 0.753 23.119 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.471 1.430 21.185 1.00 0.00 C ATOM 0 H THR A 19 10.845 1.498 25.250 1.00 0.00 H new ATOM 0 HA THR A 19 11.831 3.317 23.069 1.00 0.00 H new ATOM 0 HB THR A 19 10.704 0.479 22.952 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.947 -0.092 22.667 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.695 0.487 20.686 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.492 1.787 20.864 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.229 2.168 20.924 1.00 0.00 H new ATOM 1097 N THR A 20 9.513 4.089 22.501 1.00 0.00 N ATOM 1098 CA THR A 20 8.123 4.543 22.203 1.00 0.00 C ATOM 1099 C THR A 20 8.142 5.641 21.123 1.00 0.00 C ATOM 1100 O THR A 20 9.072 6.422 21.055 1.00 0.00 O ATOM 1101 CB THR A 20 7.513 5.119 23.488 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.255 5.708 23.199 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.439 6.189 24.066 1.00 0.00 C ATOM 0 H THR A 20 10.253 4.724 22.202 1.00 0.00 H new ATOM 0 HA THR A 20 7.535 3.699 21.842 1.00 0.00 H new ATOM 0 HB THR A 20 7.386 4.313 24.210 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.277 6.659 23.436 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.001 6.595 24.978 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.409 5.746 24.294 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.568 6.990 23.338 1.00 0.00 H new ATOM 1111 N PRO A 21 7.127 5.714 20.287 1.00 0.00 N ATOM 1112 CA PRO A 21 7.040 6.748 19.206 1.00 0.00 C ATOM 1113 C PRO A 21 6.814 8.156 19.762 1.00 0.00 C ATOM 1114 O PRO A 21 7.165 9.143 19.145 1.00 0.00 O ATOM 1115 CB PRO A 21 5.833 6.304 18.366 1.00 0.00 C ATOM 1116 CG PRO A 21 4.986 5.508 19.303 1.00 0.00 C ATOM 1117 CD PRO A 21 5.954 4.821 20.267 1.00 0.00 C ATOM 0 HA PRO A 21 7.967 6.811 18.636 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.288 7.162 17.973 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.146 5.705 17.510 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.290 6.151 19.842 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.389 4.775 18.761 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.518 4.711 21.260 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.219 3.821 19.923 1.00 0.00 H new ATOM 1125 N VAL A 22 6.220 8.254 20.917 1.00 0.00 N ATOM 1126 CA VAL A 22 5.961 9.595 21.507 1.00 0.00 C ATOM 1127 C VAL A 22 5.741 9.458 23.018 1.00 0.00 C ATOM 1128 O VAL A 22 5.096 8.541 23.483 1.00 0.00 O ATOM 1129 CB VAL A 22 4.727 10.213 20.851 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.476 9.402 21.219 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.604 11.659 21.337 1.00 0.00 C ATOM 0 H VAL A 22 5.903 7.463 21.478 1.00 0.00 H new ATOM 0 HA VAL A 22 6.820 10.243 21.330 1.00 0.00 H new ATOM 0 HB VAL A 22 4.823 10.199 19.765 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.601 9.849 20.747 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.592 8.376 20.870 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.346 9.405 22.301 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.729 12.123 20.882 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.498 11.670 22.422 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.498 12.215 21.054 1.00 0.00 H new ATOM 1141 N TRP A 23 6.296 10.356 23.792 1.00 0.00 N ATOM 1142 CA TRP A 23 6.145 10.269 25.277 1.00 0.00 C ATOM 1143 C TRP A 23 4.883 10.994 25.745 1.00 0.00 C ATOM 1144 O TRP A 23 4.621 12.115 25.364 1.00 0.00 O ATOM 1145 CB TRP A 23 7.365 10.907 25.952 1.00 0.00 C ATOM 1146 CG TRP A 23 8.545 10.012 25.773 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.558 10.200 24.896 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.835 8.782 26.483 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.454 9.153 25.025 1.00 0.00 N ATOM 1150 CE2 TRP A 23 10.048 8.251 25.990 1.00 0.00 C ATOM 1151 CE3 TRP A 23 8.162 8.086 27.498 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.574 7.063 26.487 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.688 6.890 28.002 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.891 6.379 27.496 1.00 0.00 C ATOM 0 H TRP A 23 6.848 11.147 23.460 1.00 0.00 H new ATOM 0 HA TRP A 23 6.066 9.217 25.551 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.566 11.886 25.517 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.169 11.063 27.013 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.652 11.029 24.210 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.308 9.059 24.476 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.234 8.474 27.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.502 6.673 26.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 8.165 6.359 28.784 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.291 5.455 27.887 1.00 0.00 H new ATOM 1165 N ARG A 24 4.113 10.360 26.591 1.00 0.00 N ATOM 1166 CA ARG A 24 2.870 10.993 27.122 1.00 0.00 C ATOM 1167 C ARG A 24 3.130 11.478 28.544 1.00 0.00 C ATOM 1168 O ARG A 24 4.155 11.196 29.134 1.00 0.00 O ATOM 1169 CB ARG A 24 1.735 9.967 27.187 1.00 0.00 C ATOM 1170 CG ARG A 24 1.292 9.527 25.790 1.00 0.00 C ATOM 1171 CD ARG A 24 0.327 10.544 25.178 1.00 0.00 C ATOM 1172 NE ARG A 24 0.113 10.202 23.746 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.921 10.676 23.111 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.765 11.450 23.729 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -1.107 10.385 21.853 1.00 0.00 N ATOM 0 H ARG A 24 4.295 9.419 26.940 1.00 0.00 H new ATOM 0 HA ARG A 24 2.592 11.817 26.465 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.063 9.097 27.756 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.886 10.396 27.720 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.164 9.414 25.146 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.810 8.551 25.847 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.622 10.534 25.714 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.733 11.551 25.269 1.00 0.00 H new ATOM 0 HE ARG A 24 0.776 9.597 23.262 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.617 11.685 24.710 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.575 11.821 23.232 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.442 9.785 21.365 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.917 10.757 21.358 1.00 0.00 H new ATOM 1189 N ARG A 25 2.196 12.199 29.098 1.00 0.00 N ATOM 1190 CA ARG A 25 2.349 12.710 30.489 1.00 0.00 C ATOM 1191 C ARG A 25 1.012 12.571 31.219 1.00 0.00 C ATOM 1192 O ARG A 25 -0.030 12.456 30.606 1.00 0.00 O ATOM 1193 CB ARG A 25 2.769 14.179 30.447 1.00 0.00 C ATOM 1194 CG ARG A 25 4.153 14.288 29.803 1.00 0.00 C ATOM 1195 CD ARG A 25 4.647 15.741 29.865 1.00 0.00 C ATOM 1196 NE ARG A 25 5.657 15.990 28.792 1.00 0.00 N ATOM 1197 CZ ARG A 25 6.651 15.169 28.588 1.00 0.00 C ATOM 1198 NH1 ARG A 25 6.950 14.253 29.467 1.00 0.00 N ATOM 1199 NH2 ARG A 25 7.398 15.322 27.531 1.00 0.00 N ATOM 0 H ARG A 25 1.322 12.459 28.641 1.00 0.00 H new ATOM 0 HA ARG A 25 3.112 12.137 31.015 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.043 14.761 29.879 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.790 14.593 31.455 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.856 13.634 30.319 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.108 13.954 28.766 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.806 16.424 29.748 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.087 15.942 30.842 1.00 0.00 H new ATOM 0 HE ARG A 25 5.568 16.820 28.206 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.405 14.172 30.325 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.729 13.617 29.296 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.203 16.077 26.874 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.178 14.687 27.361 1.00 0.00 H new ATOM 1213 N ASN A 26 1.042 12.583 32.529 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.212 12.446 33.335 1.00 0.00 C ATOM 1215 C ASN A 26 -0.321 13.635 34.303 1.00 0.00 C ATOM 1216 O ASN A 26 0.683 14.097 34.804 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.123 11.146 34.140 1.00 0.00 C ATOM 1218 CG ASN A 26 -1.243 11.076 35.181 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -2.252 10.436 34.959 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -1.112 11.712 36.312 1.00 0.00 N ATOM 0 H ASN A 26 1.893 12.683 33.082 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.085 12.429 32.682 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.191 10.291 33.468 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.846 11.085 34.636 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.856 11.672 37.009 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.266 12.250 36.500 1.00 0.00 H new ATOM 1227 N PRO A 27 -1.513 14.129 34.576 1.00 0.00 N ATOM 1228 CA PRO A 27 -1.715 15.271 35.524 1.00 0.00 C ATOM 1229 C PRO A 27 -0.862 15.196 36.809 1.00 0.00 C ATOM 1230 O PRO A 27 -0.898 16.093 37.626 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.204 15.169 35.872 1.00 0.00 C ATOM 1232 CG PRO A 27 -3.845 14.615 34.643 1.00 0.00 C ATOM 1233 CD PRO A 27 -2.808 13.681 34.007 1.00 0.00 C ATOM 0 HA PRO A 27 -1.410 16.212 35.067 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.366 14.517 36.731 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.618 16.144 36.129 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.758 14.073 34.890 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.124 15.413 33.955 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.010 12.638 34.251 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.814 13.761 32.920 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.082 14.157 36.992 1.00 0.00 N ATOM 1242 CA GLU A 28 0.782 14.050 38.214 1.00 0.00 C ATOM 1243 C GLU A 28 2.210 14.476 37.853 1.00 0.00 C ATOM 1244 O GLU A 28 3.040 14.715 38.708 1.00 0.00 O ATOM 1245 CB GLU A 28 0.788 12.599 38.709 1.00 0.00 C ATOM 1246 CG GLU A 28 -0.591 12.240 39.277 1.00 0.00 C ATOM 1247 CD GLU A 28 -0.853 13.033 40.559 1.00 0.00 C ATOM 1248 OE1 GLU A 28 0.104 13.511 41.145 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -2.009 13.142 40.934 1.00 0.00 O ATOM 0 H GLU A 28 -0.006 13.373 36.344 1.00 0.00 H new ATOM 0 HA GLU A 28 0.393 14.696 39.001 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.041 11.926 37.889 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.552 12.469 39.475 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.364 12.458 38.541 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.641 11.171 39.485 1.00 0.00 H new ATOM 1256 N GLY A 29 2.488 14.573 36.581 1.00 0.00 N ATOM 1257 CA GLY A 29 3.846 14.991 36.121 1.00 0.00 C ATOM 1258 C GLY A 29 4.770 13.778 35.978 1.00 0.00 C ATOM 1259 O GLY A 29 5.955 13.920 35.748 1.00 0.00 O ATOM 0 H GLY A 29 1.825 14.378 35.831 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.768 15.509 35.165 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.274 15.698 36.832 1.00 0.00 H new ATOM 1263 N GLN A 30 4.247 12.589 36.088 1.00 0.00 N ATOM 1264 CA GLN A 30 5.107 11.379 35.928 1.00 0.00 C ATOM 1265 C GLN A 30 5.198 11.039 34.427 1.00 0.00 C ATOM 1266 O GLN A 30 4.255 11.270 33.698 1.00 0.00 O ATOM 1267 CB GLN A 30 4.478 10.205 36.683 1.00 0.00 C ATOM 1268 CG GLN A 30 4.465 10.493 38.188 1.00 0.00 C ATOM 1269 CD GLN A 30 3.544 9.485 38.873 1.00 0.00 C ATOM 1270 OE1 GLN A 30 3.881 8.925 39.900 1.00 0.00 O ATOM 1271 NE2 GLN A 30 2.388 9.219 38.331 1.00 0.00 N ATOM 0 H GLN A 30 3.263 12.401 36.281 1.00 0.00 H new ATOM 0 HA GLN A 30 6.103 11.569 36.329 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.461 10.037 36.328 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.039 9.292 36.484 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.474 10.420 38.595 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.118 11.509 38.375 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.108 9.690 37.470 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.764 8.540 38.768 1.00 0.00 H new ATOM 1280 N PRO A 31 6.305 10.502 33.953 1.00 0.00 N ATOM 1281 CA PRO A 31 6.468 10.147 32.509 1.00 0.00 C ATOM 1282 C PRO A 31 5.830 8.796 32.153 1.00 0.00 C ATOM 1283 O PRO A 31 5.956 7.827 32.874 1.00 0.00 O ATOM 1284 CB PRO A 31 7.989 10.089 32.339 1.00 0.00 C ATOM 1285 CG PRO A 31 8.491 9.611 33.662 1.00 0.00 C ATOM 1286 CD PRO A 31 7.524 10.169 34.720 1.00 0.00 C ATOM 0 HA PRO A 31 5.974 10.864 31.853 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.274 9.409 31.536 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.399 11.067 32.088 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.518 8.522 33.697 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.507 9.961 33.841 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.317 9.434 35.498 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.937 11.049 35.214 1.00 0.00 H new ATOM 1294 N LEU A 32 5.153 8.737 31.033 1.00 0.00 N ATOM 1295 CA LEU A 32 4.494 7.462 30.601 1.00 0.00 C ATOM 1296 C LEU A 32 4.736 7.242 29.104 1.00 0.00 C ATOM 1297 O LEU A 32 4.817 8.177 28.335 1.00 0.00 O ATOM 1298 CB LEU A 32 2.985 7.577 30.840 1.00 0.00 C ATOM 1299 CG LEU A 32 2.686 7.816 32.326 1.00 0.00 C ATOM 1300 CD1 LEU A 32 1.200 8.146 32.476 1.00 0.00 C ATOM 1301 CD2 LEU A 32 3.015 6.570 33.157 1.00 0.00 C ATOM 0 H LEU A 32 5.027 9.522 30.394 1.00 0.00 H new ATOM 0 HA LEU A 32 4.907 6.628 31.169 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.580 8.396 30.246 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.489 6.666 30.506 1.00 0.00 H new ATOM 0 HG LEU A 32 3.302 8.640 32.686 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.970 8.319 33.527 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.967 9.042 31.901 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.603 7.312 32.106 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.795 6.764 34.207 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.412 5.731 32.809 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.072 6.328 33.047 1.00 0.00 H new ATOM 1313 N CYS A 33 4.823 6.014 28.675 1.00 0.00 N ATOM 1314 CA CYS A 33 5.025 5.754 27.224 1.00 0.00 C ATOM 1315 C CYS A 33 3.703 6.012 26.495 1.00 0.00 C ATOM 1316 O CYS A 33 2.728 6.420 27.094 1.00 0.00 O ATOM 1317 CB CYS A 33 5.478 4.309 27.000 1.00 0.00 C ATOM 1318 SG CYS A 33 4.102 3.171 27.299 1.00 0.00 S ATOM 0 H CYS A 33 4.763 5.183 29.264 1.00 0.00 H new ATOM 0 HA CYS A 33 5.799 6.416 26.835 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.844 4.189 25.981 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.307 4.072 27.667 1.00 0.00 H new ATOM 0 HG CYS A 33 4.498 2.205 28.074 1.00 0.00 H new ATOM 1323 N ASN A 34 3.663 5.799 25.211 1.00 0.00 N ATOM 1324 CA ASN A 34 2.406 6.061 24.453 1.00 0.00 C ATOM 1325 C ASN A 34 1.309 5.044 24.800 1.00 0.00 C ATOM 1326 O ASN A 34 0.152 5.396 24.923 1.00 0.00 O ATOM 1327 CB ASN A 34 2.719 5.995 22.957 1.00 0.00 C ATOM 1328 CG ASN A 34 3.272 4.611 22.608 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.766 3.909 23.467 1.00 0.00 O ATOM 1330 ND2 ASN A 34 3.207 4.184 21.375 1.00 0.00 N ATOM 0 H ASN A 34 4.444 5.455 24.652 1.00 0.00 H new ATOM 0 HA ASN A 34 2.033 7.048 24.726 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.817 6.194 22.378 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.444 6.765 22.693 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.571 3.262 21.135 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.792 4.773 20.653 1.00 0.00 H new ATOM 1337 N ALA A 35 1.636 3.787 24.936 1.00 0.00 N ATOM 1338 CA ALA A 35 0.571 2.784 25.241 1.00 0.00 C ATOM 1339 C ALA A 35 -0.063 3.022 26.625 1.00 0.00 C ATOM 1340 O ALA A 35 -1.270 3.065 26.747 1.00 0.00 O ATOM 1341 CB ALA A 35 1.155 1.374 25.157 1.00 0.00 C ATOM 0 H ALA A 35 2.581 3.413 24.851 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.221 2.896 24.500 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.377 0.644 25.380 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.540 1.199 24.152 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.965 1.272 25.879 1.00 0.00 H new ATOM 1347 N CYS A 36 0.714 3.158 27.673 1.00 0.00 N ATOM 1348 CA CYS A 36 0.102 3.370 29.027 1.00 0.00 C ATOM 1349 C CYS A 36 -0.739 4.648 29.040 1.00 0.00 C ATOM 1350 O CYS A 36 -1.864 4.661 29.502 1.00 0.00 O ATOM 1351 CB CYS A 36 1.194 3.526 30.083 1.00 0.00 C ATOM 1352 SG CYS A 36 2.122 1.986 30.238 1.00 0.00 S ATOM 0 H CYS A 36 1.733 3.132 27.653 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.522 2.504 29.247 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.865 4.339 29.807 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.749 3.791 31.042 1.00 0.00 H new ATOM 0 HG CYS A 36 3.371 2.254 30.478 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.194 5.726 28.551 1.00 0.00 N ATOM 1358 CA GLY A 37 -0.956 7.004 28.551 1.00 0.00 C ATOM 1359 C GLY A 37 -2.223 6.837 27.715 1.00 0.00 C ATOM 1360 O GLY A 37 -3.309 7.176 28.141 1.00 0.00 O ATOM 0 H GLY A 37 0.744 5.777 28.152 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.215 7.286 29.572 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.341 7.807 28.144 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.087 6.329 26.522 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.274 6.156 25.639 1.00 0.00 C ATOM 1366 C LEU A 38 -4.261 5.125 26.206 1.00 0.00 C ATOM 1367 O LEU A 38 -5.449 5.370 26.270 1.00 0.00 O ATOM 1368 CB LEU A 38 -2.784 5.696 24.261 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.025 6.835 23.561 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -1.341 6.286 22.309 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -2.987 7.963 23.152 1.00 0.00 C ATOM 0 H LEU A 38 -1.201 6.025 26.119 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.801 7.107 25.569 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.133 4.828 24.369 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.632 5.385 23.651 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.286 7.238 24.254 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.801 7.089 21.808 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.641 5.499 22.592 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.092 5.877 21.633 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.427 8.758 22.659 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.739 7.570 22.468 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.478 8.362 24.040 1.00 0.00 H new ATOM 1383 N PHE A 39 -3.801 3.965 26.585 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.742 2.927 27.105 1.00 0.00 C ATOM 1385 C PHE A 39 -5.290 3.295 28.486 1.00 0.00 C ATOM 1386 O PHE A 39 -6.465 3.150 28.751 1.00 0.00 O ATOM 1387 CB PHE A 39 -4.017 1.589 27.202 1.00 0.00 C ATOM 1388 CG PHE A 39 -4.975 0.535 27.703 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -5.232 0.418 29.074 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.604 -0.330 26.799 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -6.118 -0.559 29.541 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.489 -1.311 27.266 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.747 -1.425 28.638 1.00 0.00 C ATOM 0 H PHE A 39 -2.819 3.689 26.558 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.580 2.862 26.412 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.624 1.304 26.226 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.165 1.672 27.877 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.746 1.083 29.772 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.407 -0.241 25.741 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.317 -0.645 30.599 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.972 -1.979 26.568 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.430 -2.180 28.999 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.449 3.735 29.380 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.939 4.058 30.751 1.00 0.00 C ATOM 1405 C LEU A 40 -6.005 5.158 30.683 1.00 0.00 C ATOM 1406 O LEU A 40 -7.050 5.052 31.293 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.761 4.541 31.608 1.00 0.00 C ATOM 1408 CG LEU A 40 -4.167 4.606 33.090 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -4.262 3.188 33.682 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -3.108 5.397 33.866 1.00 0.00 C ATOM 0 H LEU A 40 -3.452 3.884 29.224 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.378 3.165 31.195 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.914 3.866 31.486 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.436 5.525 31.270 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.139 5.093 33.169 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.550 3.250 34.731 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.009 2.614 33.134 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.294 2.694 33.600 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.390 5.447 34.918 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.142 4.901 33.772 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.038 6.406 33.461 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.748 6.219 29.966 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.750 7.325 29.880 1.00 0.00 C ATOM 1424 C LYS A 41 -8.027 6.830 29.185 1.00 0.00 C ATOM 1425 O LYS A 41 -9.126 7.128 29.605 1.00 0.00 O ATOM 1426 CB LYS A 41 -6.153 8.500 29.086 1.00 0.00 C ATOM 1427 CG LYS A 41 -7.065 9.739 29.171 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.770 10.529 30.453 1.00 0.00 C ATOM 1429 CE LYS A 41 -7.588 11.825 30.472 1.00 0.00 C ATOM 1430 NZ LYS A 41 -8.990 11.515 30.867 1.00 0.00 N ATOM 0 H LYS A 41 -4.889 6.369 29.436 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.001 7.655 30.888 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.165 8.743 29.476 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.022 8.211 28.043 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.909 10.375 28.300 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.111 9.431 29.158 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.012 9.924 31.326 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.706 10.760 30.511 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.149 12.536 31.172 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.570 12.295 29.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.549 12.392 30.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.405 10.851 30.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.997 11.085 31.814 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.898 6.096 28.110 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.115 5.620 27.384 1.00 0.00 C ATOM 1446 C LEU A 42 -9.881 4.593 28.229 1.00 0.00 C ATOM 1447 O LEU A 42 -11.096 4.593 28.255 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.704 4.967 26.054 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.170 6.016 25.063 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -7.587 5.297 23.839 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.305 6.958 24.618 1.00 0.00 C ATOM 0 H LEU A 42 -7.008 5.806 27.705 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.760 6.478 27.194 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.939 4.213 26.237 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.561 4.453 25.618 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.396 6.609 25.550 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.206 6.034 23.131 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.774 4.643 24.154 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.366 4.703 23.361 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.913 7.695 23.917 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.090 6.378 24.133 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.716 7.469 25.489 1.00 0.00 H new ATOM 1463 N HIS A 43 -9.200 3.702 28.900 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.919 2.666 29.706 1.00 0.00 C ATOM 1465 C HIS A 43 -10.231 3.183 31.116 1.00 0.00 C ATOM 1466 O HIS A 43 -11.277 2.895 31.668 1.00 0.00 O ATOM 1467 CB HIS A 43 -9.050 1.405 29.779 1.00 0.00 C ATOM 1468 CG HIS A 43 -9.061 0.718 28.437 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -8.412 1.256 27.339 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.658 -0.440 27.985 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.634 0.444 26.292 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -9.388 -0.605 26.630 1.00 0.00 N ATOM 0 H HIS A 43 -8.182 3.645 28.926 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.869 2.433 29.224 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.030 1.668 30.058 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.428 0.732 30.549 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.863 2.116 27.327 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.245 -1.115 28.590 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.249 0.618 25.298 1.00 0.00 H new ATOM 1480 N GLY A 44 -9.356 3.948 31.707 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.640 4.480 33.071 1.00 0.00 C ATOM 1482 C GLY A 44 -9.553 3.373 34.121 1.00 0.00 C ATOM 1483 O GLY A 44 -9.919 3.578 35.261 1.00 0.00 O ATOM 0 H GLY A 44 -8.460 4.227 31.308 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.930 5.271 33.312 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.634 4.927 33.091 1.00 0.00 H new ATOM 1487 N VAL A 45 -9.096 2.201 33.764 1.00 0.00 N ATOM 1488 CA VAL A 45 -9.019 1.100 34.774 1.00 0.00 C ATOM 1489 C VAL A 45 -7.734 0.283 34.594 1.00 0.00 C ATOM 1490 O VAL A 45 -7.276 0.051 33.495 1.00 0.00 O ATOM 1491 CB VAL A 45 -10.234 0.184 34.609 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -11.501 0.915 35.064 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -10.393 -0.215 33.139 1.00 0.00 C ATOM 0 H VAL A 45 -8.775 1.958 32.827 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.011 1.538 35.772 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.084 -0.708 35.217 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.363 0.258 34.944 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.402 1.196 36.112 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.641 1.811 34.459 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.260 -0.867 33.031 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.534 0.680 32.532 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.499 -0.742 32.806 1.00 0.00 H new ATOM 1503 N VAL A 46 -7.152 -0.151 35.684 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.896 -0.955 35.610 1.00 0.00 C ATOM 1505 C VAL A 46 -6.103 -2.182 34.725 1.00 0.00 C ATOM 1506 O VAL A 46 -7.185 -2.731 34.635 1.00 0.00 O ATOM 1507 CB VAL A 46 -5.484 -1.406 37.012 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -5.009 -0.192 37.807 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -6.683 -2.043 37.716 1.00 0.00 C ATOM 0 H VAL A 46 -7.497 0.019 36.629 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.111 -0.333 35.181 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.678 -2.137 36.942 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.713 -0.506 38.808 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.156 0.262 37.303 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.818 0.535 37.879 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.390 -2.365 38.715 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.490 -1.314 37.792 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.025 -2.905 37.143 1.00 0.00 H new ATOM 1519 N ARG A 47 -5.056 -2.600 34.072 1.00 0.00 N ATOM 1520 CA ARG A 47 -5.119 -3.779 33.165 1.00 0.00 C ATOM 1521 C ARG A 47 -3.767 -4.506 33.257 1.00 0.00 C ATOM 1522 O ARG A 47 -2.733 -3.868 33.215 1.00 0.00 O ATOM 1523 CB ARG A 47 -5.344 -3.247 31.742 1.00 0.00 C ATOM 1524 CG ARG A 47 -5.395 -4.385 30.710 1.00 0.00 C ATOM 1525 CD ARG A 47 -6.814 -4.956 30.619 1.00 0.00 C ATOM 1526 NE ARG A 47 -6.802 -6.116 29.685 1.00 0.00 N ATOM 1527 CZ ARG A 47 -7.824 -6.921 29.598 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -8.900 -6.721 30.308 1.00 0.00 N ATOM 1529 NH2 ARG A 47 -7.755 -7.949 28.803 1.00 0.00 N ATOM 0 H ARG A 47 -4.136 -2.163 34.131 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.921 -4.468 33.431 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.276 -2.683 31.708 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.543 -2.555 31.481 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.081 -4.015 29.734 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.696 -5.172 30.992 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.160 -5.268 31.605 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.507 -4.193 30.265 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.981 -6.283 29.104 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.951 -5.925 30.944 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.690 -7.361 30.228 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.909 -8.116 28.258 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.547 -8.587 28.725 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.749 -5.814 33.384 1.00 0.00 N ATOM 1544 CA PRO A 48 -2.478 -6.579 33.479 1.00 0.00 C ATOM 1545 C PRO A 48 -1.365 -5.992 32.610 1.00 0.00 C ATOM 1546 O PRO A 48 -1.361 -6.128 31.405 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.878 -7.965 32.982 1.00 0.00 C ATOM 1548 CG PRO A 48 -4.293 -8.128 33.439 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.912 -6.721 33.458 1.00 0.00 C ATOM 0 HA PRO A 48 -2.068 -6.569 34.489 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.800 -8.036 31.897 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.234 -8.739 33.400 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.844 -8.785 32.766 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.331 -8.582 34.429 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.588 -6.572 32.616 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.491 -6.553 34.366 1.00 0.00 H new ATOM 1557 N LEU A 49 -0.410 -5.363 33.229 1.00 0.00 N ATOM 1558 CA LEU A 49 0.723 -4.789 32.454 1.00 0.00 C ATOM 1559 C LEU A 49 1.411 -5.941 31.716 1.00 0.00 C ATOM 1560 O LEU A 49 2.309 -5.747 30.917 1.00 0.00 O ATOM 1561 CB LEU A 49 1.710 -4.099 33.402 1.00 0.00 C ATOM 1562 CG LEU A 49 1.004 -2.994 34.206 1.00 0.00 C ATOM 1563 CD1 LEU A 49 2.008 -2.363 35.176 1.00 0.00 C ATOM 1564 CD2 LEU A 49 0.457 -1.909 33.263 1.00 0.00 C ATOM 0 H LEU A 49 -0.364 -5.221 34.238 1.00 0.00 H new ATOM 0 HA LEU A 49 0.364 -4.045 31.743 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.142 -4.832 34.083 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.533 -3.671 32.830 1.00 0.00 H new ATOM 0 HG LEU A 49 0.172 -3.432 34.757 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.515 -1.578 35.750 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.387 -3.127 35.856 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.837 -1.935 34.613 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.039 -1.135 33.848 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.280 -1.467 32.701 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.257 -2.355 32.571 1.00 0.00 H new ATOM 1576 N SER A 50 0.986 -7.146 31.989 1.00 0.00 N ATOM 1577 CA SER A 50 1.594 -8.332 31.323 1.00 0.00 C ATOM 1578 C SER A 50 1.419 -8.202 29.811 1.00 0.00 C ATOM 1579 O SER A 50 1.998 -8.947 29.046 1.00 0.00 O ATOM 1580 CB SER A 50 0.890 -9.603 31.794 1.00 0.00 C ATOM 1581 OG SER A 50 1.282 -9.896 33.126 1.00 0.00 O ATOM 0 H SER A 50 0.239 -7.360 32.649 1.00 0.00 H new ATOM 0 HA SER A 50 2.653 -8.385 31.575 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.191 -9.473 31.742 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.143 -10.436 31.138 1.00 0.00 H new ATOM 0 HG SER A 50 0.829 -10.711 33.429 1.00 0.00 H new ATOM 1587 N LEU A 51 0.637 -7.254 29.375 1.00 0.00 N ATOM 1588 CA LEU A 51 0.443 -7.073 27.908 1.00 0.00 C ATOM 1589 C LEU A 51 1.709 -6.453 27.338 1.00 0.00 C ATOM 1590 O LEU A 51 2.082 -6.684 26.205 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.703 -6.101 27.658 1.00 0.00 C ATOM 1592 CG LEU A 51 -1.987 -6.634 28.292 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -2.982 -5.482 28.410 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -2.592 -7.754 27.434 1.00 0.00 C ATOM 0 H LEU A 51 0.126 -6.599 29.967 1.00 0.00 H new ATOM 0 HA LEU A 51 0.224 -8.035 27.445 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.460 -5.124 28.075 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.847 -5.963 26.586 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.761 -7.044 29.276 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.906 -5.844 28.861 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.557 -4.696 29.035 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.195 -5.082 27.419 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.505 -8.119 27.904 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.824 -7.367 26.442 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.877 -8.572 27.347 1.00 0.00 H new ATOM 1606 N LYS A 52 2.365 -5.654 28.127 1.00 0.00 N ATOM 1607 CA LYS A 52 3.611 -4.991 27.668 1.00 0.00 C ATOM 1608 C LYS A 52 4.507 -5.987 26.931 1.00 0.00 C ATOM 1609 O LYS A 52 4.600 -7.149 27.273 1.00 0.00 O ATOM 1610 CB LYS A 52 4.333 -4.438 28.909 1.00 0.00 C ATOM 1611 CG LYS A 52 5.812 -4.114 28.633 1.00 0.00 C ATOM 1612 CD LYS A 52 5.942 -2.955 27.637 1.00 0.00 C ATOM 1613 CE LYS A 52 7.417 -2.776 27.262 1.00 0.00 C ATOM 1614 NZ LYS A 52 7.527 -1.980 26.005 1.00 0.00 N ATOM 0 H LYS A 52 2.087 -5.430 29.082 1.00 0.00 H new ATOM 0 HA LYS A 52 3.375 -4.183 26.975 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.824 -3.536 29.250 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.268 -5.166 29.718 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.312 -3.854 29.566 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.314 -4.997 28.237 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.350 -3.158 26.745 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.552 -2.037 28.076 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.948 -2.272 28.070 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.888 -3.750 27.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.529 -1.876 25.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.020 -2.469 25.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.108 -1.039 26.152 1.00 0.00 H new ATOM 1628 N THR A 53 5.198 -5.488 25.947 1.00 0.00 N ATOM 1629 CA THR A 53 6.157 -6.305 25.163 1.00 0.00 C ATOM 1630 C THR A 53 7.317 -5.395 24.765 1.00 0.00 C ATOM 1631 O THR A 53 7.210 -4.185 24.821 1.00 0.00 O ATOM 1632 CB THR A 53 5.481 -6.863 23.912 1.00 0.00 C ATOM 1633 OG1 THR A 53 6.473 -7.250 22.977 1.00 0.00 O ATOM 1634 CG2 THR A 53 4.572 -5.807 23.286 1.00 0.00 C ATOM 0 H THR A 53 5.134 -4.516 25.646 1.00 0.00 H new ATOM 0 HA THR A 53 6.512 -7.147 25.757 1.00 0.00 H new ATOM 0 HB THR A 53 4.877 -7.727 24.188 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.043 -7.610 22.174 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.097 -6.218 22.395 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.806 -5.514 24.004 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.164 -4.934 23.011 1.00 0.00 H new ATOM 1642 N ASP A 54 8.429 -5.955 24.384 1.00 0.00 N ATOM 1643 CA ASP A 54 9.600 -5.109 24.002 1.00 0.00 C ATOM 1644 C ASP A 54 9.566 -4.840 22.500 1.00 0.00 C ATOM 1645 O ASP A 54 10.403 -4.137 21.966 1.00 0.00 O ATOM 1646 CB ASP A 54 10.897 -5.848 24.346 1.00 0.00 C ATOM 1647 CG ASP A 54 11.073 -5.888 25.864 1.00 0.00 C ATOM 1648 OD1 ASP A 54 10.546 -5.009 26.524 1.00 0.00 O ATOM 1649 OD2 ASP A 54 11.732 -6.797 26.342 1.00 0.00 O ATOM 0 H ASP A 54 8.581 -6.961 24.319 1.00 0.00 H new ATOM 0 HA ASP A 54 9.556 -4.166 24.547 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.868 -6.861 23.946 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.747 -5.347 23.884 1.00 0.00 H new ATOM 1654 N VAL A 55 8.594 -5.391 21.824 1.00 0.00 N ATOM 1655 CA VAL A 55 8.466 -5.181 20.351 1.00 0.00 C ATOM 1656 C VAL A 55 7.212 -4.349 20.066 1.00 0.00 C ATOM 1657 O VAL A 55 6.140 -4.644 20.555 1.00 0.00 O ATOM 1658 CB VAL A 55 8.331 -6.539 19.662 1.00 0.00 C ATOM 1659 CG1 VAL A 55 8.232 -6.341 18.149 1.00 0.00 C ATOM 1660 CG2 VAL A 55 9.552 -7.399 19.983 1.00 0.00 C ATOM 0 H VAL A 55 7.874 -5.985 22.234 1.00 0.00 H new ATOM 0 HA VAL A 55 9.347 -4.660 19.976 1.00 0.00 H new ATOM 0 HB VAL A 55 7.430 -7.037 20.022 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.136 -7.311 17.661 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.359 -5.730 17.918 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.130 -5.840 17.788 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.455 -8.367 19.491 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.453 -6.900 19.626 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.621 -7.545 21.061 1.00 0.00 H new ATOM 1670 N ILE A 56 7.338 -3.324 19.260 1.00 0.00 N ATOM 1671 CA ILE A 56 6.165 -2.465 18.902 1.00 0.00 C ATOM 1672 C ILE A 56 5.810 -2.708 17.434 1.00 0.00 C ATOM 1673 O ILE A 56 6.674 -2.749 16.580 1.00 0.00 O ATOM 1674 CB ILE A 56 6.520 -0.992 19.117 1.00 0.00 C ATOM 1675 CG1 ILE A 56 6.839 -0.776 20.600 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.338 -0.113 18.705 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.428 0.619 20.802 1.00 0.00 C ATOM 0 H ILE A 56 8.218 -3.041 18.828 1.00 0.00 H new ATOM 0 HA ILE A 56 5.312 -2.715 19.533 1.00 0.00 H new ATOM 0 HB ILE A 56 7.385 -0.724 18.511 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.934 -0.889 21.197 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.544 -1.532 20.944 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.593 0.935 18.859 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.110 -0.280 17.652 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.467 -0.367 19.310 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.654 0.769 21.858 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.343 0.716 20.218 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.708 1.369 20.475 1.00 0.00 H new ATOM 1689 N LYS A 57 4.552 -2.889 17.134 1.00 0.00 N ATOM 1690 CA LYS A 57 4.152 -3.155 15.723 1.00 0.00 C ATOM 1691 C LYS A 57 4.187 -1.858 14.904 1.00 0.00 C ATOM 1692 O LYS A 57 3.513 -0.896 15.210 1.00 0.00 O ATOM 1693 CB LYS A 57 2.732 -3.726 15.731 1.00 0.00 C ATOM 1694 CG LYS A 57 2.304 -4.091 14.305 1.00 0.00 C ATOM 1695 CD LYS A 57 0.879 -4.667 14.312 1.00 0.00 C ATOM 1696 CE LYS A 57 0.916 -6.170 14.619 1.00 0.00 C ATOM 1697 NZ LYS A 57 1.605 -6.889 13.508 1.00 0.00 N ATOM 0 H LYS A 57 3.784 -2.864 17.805 1.00 0.00 H new ATOM 0 HA LYS A 57 4.845 -3.863 15.268 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.690 -4.609 16.369 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.040 -2.996 16.151 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.344 -3.208 13.668 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.997 -4.820 13.884 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.274 -4.151 15.058 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.406 -4.498 13.345 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.438 -6.347 15.559 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.098 -6.552 14.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.218 -7.851 13.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.453 -6.376 12.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.624 -6.942 13.708 1.00 0.00 H new ATOM 1711 N LYS A 58 4.972 -1.841 13.855 1.00 0.00 N ATOM 1712 CA LYS A 58 5.069 -0.624 12.996 1.00 0.00 C ATOM 1713 C LYS A 58 3.933 -0.627 11.973 1.00 0.00 C ATOM 1714 O LYS A 58 3.742 -1.581 11.245 1.00 0.00 O ATOM 1715 CB LYS A 58 6.417 -0.629 12.263 1.00 0.00 C ATOM 1716 CG LYS A 58 7.541 -0.383 13.274 1.00 0.00 C ATOM 1717 CD LYS A 58 8.898 -0.756 12.667 1.00 0.00 C ATOM 1718 CE LYS A 58 9.251 0.205 11.525 1.00 0.00 C ATOM 1719 NZ LYS A 58 10.701 0.089 11.183 1.00 0.00 N ATOM 0 H LYS A 58 5.553 -2.624 13.556 1.00 0.00 H new ATOM 0 HA LYS A 58 4.992 0.268 13.617 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.567 -1.584 11.759 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.429 0.143 11.493 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.546 0.665 13.574 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.364 -0.972 14.174 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.671 -0.719 13.435 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.868 -1.780 12.294 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.644 -0.021 10.649 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.020 1.229 11.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.928 0.745 10.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.275 0.327 12.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.911 -0.885 10.885 1.00 0.00 H new ATOM 1733 N ARG A 59 3.161 0.424 11.925 1.00 0.00 N ATOM 1734 CA ARG A 59 2.016 0.483 10.970 1.00 0.00 C ATOM 1735 C ARG A 59 2.421 1.286 9.733 1.00 0.00 C ATOM 1736 O ARG A 59 3.516 1.804 9.643 1.00 0.00 O ATOM 1737 CB ARG A 59 0.831 1.169 11.655 1.00 0.00 C ATOM 1738 CG ARG A 59 0.280 0.282 12.779 1.00 0.00 C ATOM 1739 CD ARG A 59 -0.963 0.944 13.373 1.00 0.00 C ATOM 1740 NE ARG A 59 -1.983 1.092 12.303 1.00 0.00 N ATOM 1741 CZ ARG A 59 -3.218 1.368 12.608 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -3.577 1.450 13.860 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -4.095 1.539 11.658 1.00 0.00 N ATOM 0 H ARG A 59 3.275 1.251 12.511 1.00 0.00 H new ATOM 0 HA ARG A 59 1.737 -0.527 10.669 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.144 2.131 12.062 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.047 1.371 10.925 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.031 -0.706 12.391 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.036 0.140 13.551 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.358 0.341 14.190 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.709 1.919 13.790 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.715 0.977 11.326 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.890 1.298 14.599 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.544 1.666 14.100 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.812 1.456 10.682 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.064 1.755 11.891 1.00 0.00 H new ATOM 1757 N ASN A 60 1.555 1.370 8.762 1.00 0.00 N ATOM 1758 CA ASN A 60 1.895 2.109 7.513 1.00 0.00 C ATOM 1759 C ASN A 60 1.819 3.617 7.751 1.00 0.00 C ATOM 1760 O ASN A 60 1.631 4.081 8.857 1.00 0.00 O ATOM 1761 CB ASN A 60 0.900 1.740 6.415 1.00 0.00 C ATOM 1762 CG ASN A 60 -0.491 2.227 6.831 1.00 0.00 C ATOM 1763 OD1 ASN A 60 -0.700 3.409 7.011 1.00 0.00 O ATOM 1764 ND2 ASN A 60 -1.458 1.365 6.985 1.00 0.00 N ATOM 0 H ASN A 60 0.622 0.957 8.779 1.00 0.00 H new ATOM 0 HA ASN A 60 2.907 1.838 7.214 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.193 2.197 5.470 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.892 0.661 6.259 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.388 1.685 7.256 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.284 0.371 6.834 1.00 0.00 H new