USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 407 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 CYS SG : rot 158:sc= 1.95 USER MOD Set 1.2: A 15 CYS SG : rot -59:sc= -0.479 USER MOD Set 1.3: A 17 THR OG1 : rot 97:sc= -1.83! USER MOD Set 1.4: A 33 CYS SG : rot -132:sc= 1.18 USER MOD Set 1.5: A 36 CYS SG : rot 143:sc= 0.0485 USER MOD Set 1.6: A 52 LYS NZ :NH3+ -148:sc= 1.16 (180deg=0.253) USER MOD Set 2.1: A 20 THR OG1 : rot -150:sc= 0.762 USER MOD Set 2.2: A 34 ASN : amide:sc= -19.8! C(o=-19!,f=-14!) USER MOD Single : A 11 THR OG1 : rot 37:sc= 0.102 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -5.79! C(o=-5.8!,f=-4.9!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -2.07 K(o=-2.1,f=-12!) USER MOD Single : A 30 GLN : amide:sc= -1.7 K(o=-1.7,f=-0.21) USER MOD Single : A 41 LYS NZ :NH3+ -159:sc= -0.0313 (180deg=-0.382) USER MOD Single : A 43 HIS : no HD1:sc= -9.41! C(o=-9.4!,f=-9.5!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0628 USER MOD Single : A 57 LYS NZ :NH3+ 165:sc= -0.048 (180deg=-0.406) USER MOD Single : A 58 LYS NZ :NH3+ 162:sc= -0.0718 (180deg=-0.496) USER MOD Single : A 60 ASN : amide:sc= -0.0156 X(o=-0.016,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 11.824 6.958 31.102 1.00 0.00 N ATOM 971 CA THR A 11 11.374 5.542 31.251 1.00 0.00 C ATOM 972 C THR A 11 9.890 5.531 31.632 1.00 0.00 C ATOM 973 O THR A 11 9.450 6.293 32.468 1.00 0.00 O ATOM 974 CB THR A 11 12.203 4.872 32.351 1.00 0.00 C ATOM 975 OG1 THR A 11 13.571 4.880 31.972 1.00 0.00 O ATOM 976 CG2 THR A 11 11.733 3.430 32.548 1.00 0.00 C ATOM 0 HA THR A 11 11.510 4.999 30.316 1.00 0.00 H new ATOM 0 HB THR A 11 12.077 5.418 33.286 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.777 5.718 31.508 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.326 2.958 33.331 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.682 3.426 32.836 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.856 2.877 31.617 1.00 0.00 H new ATOM 984 N CYS A 12 9.115 4.682 31.013 1.00 0.00 N ATOM 985 CA CYS A 12 7.657 4.632 31.330 1.00 0.00 C ATOM 986 C CYS A 12 7.443 4.130 32.758 1.00 0.00 C ATOM 987 O CYS A 12 7.645 2.970 33.059 1.00 0.00 O ATOM 988 CB CYS A 12 6.945 3.697 30.356 1.00 0.00 C ATOM 989 SG CYS A 12 5.163 4.009 30.439 1.00 0.00 S ATOM 0 H CYS A 12 9.427 4.021 30.302 1.00 0.00 H new ATOM 0 HA CYS A 12 7.247 5.638 31.237 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.309 3.861 29.342 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.158 2.658 30.607 1.00 0.00 H new ATOM 0 HG CYS A 12 4.598 3.589 29.346 1.00 0.00 H new ATOM 994 N THR A 13 7.013 4.997 33.629 1.00 0.00 N ATOM 995 CA THR A 13 6.772 4.593 35.041 1.00 0.00 C ATOM 996 C THR A 13 5.603 3.609 35.119 1.00 0.00 C ATOM 997 O THR A 13 5.348 3.030 36.155 1.00 0.00 O ATOM 998 CB THR A 13 6.452 5.835 35.877 1.00 0.00 C ATOM 999 OG1 THR A 13 5.300 6.474 35.347 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.635 6.805 35.840 1.00 0.00 C ATOM 0 H THR A 13 6.816 5.976 33.422 1.00 0.00 H new ATOM 0 HA THR A 13 7.667 4.108 35.429 1.00 0.00 H new ATOM 0 HB THR A 13 6.265 5.537 36.909 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.092 7.269 35.881 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.401 7.687 36.437 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.520 6.315 36.247 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.828 7.105 34.810 1.00 0.00 H new ATOM 1008 N ASN A 14 4.879 3.415 34.046 1.00 0.00 N ATOM 1009 CA ASN A 14 3.719 2.471 34.084 1.00 0.00 C ATOM 1010 C ASN A 14 4.115 1.103 33.531 1.00 0.00 C ATOM 1011 O ASN A 14 3.622 0.094 33.993 1.00 0.00 O ATOM 1012 CB ASN A 14 2.569 3.032 33.241 1.00 0.00 C ATOM 1013 CG ASN A 14 1.884 4.170 33.997 1.00 0.00 C ATOM 1014 OD1 ASN A 14 0.933 4.751 33.514 1.00 0.00 O ATOM 1015 ND2 ASN A 14 2.337 4.514 35.170 1.00 0.00 N ATOM 0 H ASN A 14 5.040 3.868 33.146 1.00 0.00 H new ATOM 0 HA ASN A 14 3.405 2.358 35.122 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.949 3.394 32.285 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.849 2.244 33.020 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.893 5.274 35.686 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.136 4.024 35.572 1.00 0.00 H new ATOM 1022 N CYS A 15 4.971 1.043 32.540 1.00 0.00 N ATOM 1023 CA CYS A 15 5.352 -0.286 31.964 1.00 0.00 C ATOM 1024 C CYS A 15 6.857 -0.350 31.688 1.00 0.00 C ATOM 1025 O CYS A 15 7.334 -1.265 31.049 1.00 0.00 O ATOM 1026 CB CYS A 15 4.567 -0.515 30.669 1.00 0.00 C ATOM 1027 SG CYS A 15 5.288 0.453 29.317 1.00 0.00 S ATOM 0 H CYS A 15 5.420 1.850 32.107 1.00 0.00 H new ATOM 0 HA CYS A 15 5.110 -1.068 32.684 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.577 -1.574 30.412 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.524 -0.231 30.813 1.00 0.00 H new ATOM 0 HG CYS A 15 5.260 1.716 29.624 1.00 0.00 H new ATOM 1032 N PHE A 16 7.606 0.599 32.178 1.00 0.00 N ATOM 1033 CA PHE A 16 9.084 0.588 31.974 1.00 0.00 C ATOM 1034 C PHE A 16 9.443 0.601 30.487 1.00 0.00 C ATOM 1035 O PHE A 16 10.606 0.532 30.140 1.00 0.00 O ATOM 1036 CB PHE A 16 9.706 -0.653 32.624 1.00 0.00 C ATOM 1037 CG PHE A 16 9.312 -0.728 34.079 1.00 0.00 C ATOM 1038 CD1 PHE A 16 9.982 0.053 35.025 1.00 0.00 C ATOM 1039 CD2 PHE A 16 8.281 -1.584 34.483 1.00 0.00 C ATOM 1040 CE1 PHE A 16 9.623 -0.019 36.376 1.00 0.00 C ATOM 1041 CE2 PHE A 16 7.920 -1.658 35.834 1.00 0.00 C ATOM 1042 CZ PHE A 16 8.592 -0.876 36.782 1.00 0.00 C ATOM 0 H PHE A 16 7.254 1.390 32.717 1.00 0.00 H new ATOM 0 HA PHE A 16 9.481 1.489 32.441 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.375 -1.551 32.103 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.792 -0.615 32.535 1.00 0.00 H new ATOM 0 HD1 PHE A 16 10.778 0.713 34.713 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.763 -2.188 33.752 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.141 0.586 37.105 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.124 -2.318 36.145 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.316 -0.934 37.824 1.00 0.00 H new ATOM 1052 N THR A 17 8.493 0.667 29.590 1.00 0.00 N ATOM 1053 CA THR A 17 8.875 0.654 28.149 1.00 0.00 C ATOM 1054 C THR A 17 9.821 1.823 27.874 1.00 0.00 C ATOM 1055 O THR A 17 9.549 2.956 28.217 1.00 0.00 O ATOM 1056 CB THR A 17 7.627 0.788 27.267 1.00 0.00 C ATOM 1057 OG1 THR A 17 6.869 -0.412 27.335 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.043 1.051 25.815 1.00 0.00 C ATOM 0 H THR A 17 7.494 0.728 29.786 1.00 0.00 H new ATOM 0 HA THR A 17 9.369 -0.289 27.917 1.00 0.00 H new ATOM 0 HB THR A 17 7.022 1.622 27.623 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.147 -0.306 27.989 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.153 1.145 25.193 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.621 1.974 25.764 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.651 0.221 25.455 1.00 0.00 H new ATOM 1066 N GLN A 18 10.940 1.539 27.265 1.00 0.00 N ATOM 1067 CA GLN A 18 11.942 2.601 26.956 1.00 0.00 C ATOM 1068 C GLN A 18 11.857 2.981 25.476 1.00 0.00 C ATOM 1069 O GLN A 18 12.535 3.883 25.021 1.00 0.00 O ATOM 1070 CB GLN A 18 13.334 2.038 27.253 1.00 0.00 C ATOM 1071 CG GLN A 18 13.600 0.810 26.354 1.00 0.00 C ATOM 1072 CD GLN A 18 14.430 -0.235 27.103 1.00 0.00 C ATOM 1073 OE1 GLN A 18 13.920 -1.275 27.472 1.00 0.00 O ATOM 1074 NE2 GLN A 18 15.690 -0.006 27.344 1.00 0.00 N ATOM 0 H GLN A 18 11.207 0.602 26.964 1.00 0.00 H new ATOM 0 HA GLN A 18 11.747 3.487 27.560 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.091 2.802 27.076 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.406 1.755 28.303 1.00 0.00 H new ATOM 0 HG2 GLN A 18 12.653 0.372 26.038 1.00 0.00 H new ATOM 0 HG3 GLN A 18 14.125 1.120 25.451 1.00 0.00 H new ATOM 0 HE21 GLN A 18 16.118 0.867 27.034 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.248 -0.699 27.842 1.00 0.00 H new ATOM 1083 N THR A 19 11.033 2.299 24.719 1.00 0.00 N ATOM 1084 CA THR A 19 10.893 2.608 23.260 1.00 0.00 C ATOM 1085 C THR A 19 9.454 3.052 22.989 1.00 0.00 C ATOM 1086 O THR A 19 8.506 2.392 23.368 1.00 0.00 O ATOM 1087 CB THR A 19 11.210 1.348 22.442 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.480 0.847 22.835 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.250 1.687 20.948 1.00 0.00 C ATOM 0 H THR A 19 10.446 1.534 25.052 1.00 0.00 H new ATOM 0 HA THR A 19 11.583 3.402 22.975 1.00 0.00 H new ATOM 0 HB THR A 19 10.437 0.601 22.621 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.688 0.041 22.318 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.476 0.787 20.377 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.282 2.080 20.638 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.021 2.435 20.765 1.00 0.00 H new ATOM 1097 N THR A 20 9.283 4.179 22.354 1.00 0.00 N ATOM 1098 CA THR A 20 7.904 4.682 22.085 1.00 0.00 C ATOM 1099 C THR A 20 7.950 5.738 20.973 1.00 0.00 C ATOM 1100 O THR A 20 8.902 6.488 20.882 1.00 0.00 O ATOM 1101 CB THR A 20 7.361 5.330 23.365 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.064 5.854 23.122 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.290 6.463 23.820 1.00 0.00 C ATOM 0 H THR A 20 10.037 4.773 22.010 1.00 0.00 H new ATOM 0 HA THR A 20 7.263 3.856 21.776 1.00 0.00 H new ATOM 0 HB THR A 20 7.310 4.573 24.148 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.912 6.631 23.699 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.894 6.915 24.729 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.284 6.061 24.017 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.353 7.219 23.037 1.00 0.00 H new ATOM 1111 N PRO A 21 6.940 5.822 20.138 1.00 0.00 N ATOM 1112 CA PRO A 21 6.922 6.837 19.050 1.00 0.00 C ATOM 1113 C PRO A 21 6.863 8.255 19.629 1.00 0.00 C ATOM 1114 O PRO A 21 7.296 9.205 19.008 1.00 0.00 O ATOM 1115 CB PRO A 21 5.672 6.496 18.221 1.00 0.00 C ATOM 1116 CG PRO A 21 4.801 5.667 19.117 1.00 0.00 C ATOM 1117 CD PRO A 21 5.727 4.982 20.131 1.00 0.00 C ATOM 0 HA PRO A 21 7.823 6.814 18.438 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.155 7.401 17.902 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.939 5.947 17.318 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.066 6.291 19.626 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.246 4.927 18.540 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.270 4.934 21.119 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.954 3.958 19.835 1.00 0.00 H new ATOM 1125 N VAL A 22 6.359 8.398 20.830 1.00 0.00 N ATOM 1126 CA VAL A 22 6.301 9.748 21.467 1.00 0.00 C ATOM 1127 C VAL A 22 6.014 9.602 22.969 1.00 0.00 C ATOM 1128 O VAL A 22 5.332 8.697 23.404 1.00 0.00 O ATOM 1129 CB VAL A 22 5.219 10.611 20.802 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.848 9.941 20.917 1.00 0.00 C ATOM 1131 CG2 VAL A 22 5.171 11.982 21.484 1.00 0.00 C ATOM 0 H VAL A 22 5.985 7.637 21.396 1.00 0.00 H new ATOM 0 HA VAL A 22 7.264 10.241 21.333 1.00 0.00 H new ATOM 0 HB VAL A 22 5.465 10.727 19.747 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.095 10.568 20.440 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.876 8.969 20.424 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.595 9.808 21.969 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.403 12.596 21.013 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.936 11.855 22.541 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.139 12.472 21.384 1.00 0.00 H new ATOM 1141 N TRP A 23 6.538 10.487 23.770 1.00 0.00 N ATOM 1142 CA TRP A 23 6.300 10.390 25.243 1.00 0.00 C ATOM 1143 C TRP A 23 5.013 11.141 25.609 1.00 0.00 C ATOM 1144 O TRP A 23 4.806 12.272 25.220 1.00 0.00 O ATOM 1145 CB TRP A 23 7.502 10.971 25.996 1.00 0.00 C ATOM 1146 CG TRP A 23 8.650 10.010 25.900 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.760 10.202 25.153 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.813 8.709 26.547 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.592 9.108 25.296 1.00 0.00 N ATOM 1150 CE2 TRP A 23 10.054 8.158 26.140 1.00 0.00 C ATOM 1151 CE3 TRP A 23 8.018 7.959 27.434 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.487 6.910 26.593 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.452 6.704 27.890 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.682 6.179 27.470 1.00 0.00 C ATOM 0 H TRP A 23 7.119 11.271 23.473 1.00 0.00 H new ATOM 0 HA TRP A 23 6.183 9.345 25.529 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.782 11.935 25.572 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.243 11.145 27.040 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.964 11.070 24.543 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.496 9.014 24.833 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.068 8.351 27.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.437 6.513 26.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.833 6.138 28.570 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.007 5.212 27.824 1.00 0.00 H new ATOM 1165 N ARG A 24 4.149 10.504 26.361 1.00 0.00 N ATOM 1166 CA ARG A 24 2.859 11.143 26.779 1.00 0.00 C ATOM 1167 C ARG A 24 3.011 11.664 28.202 1.00 0.00 C ATOM 1168 O ARG A 24 3.999 11.401 28.858 1.00 0.00 O ATOM 1169 CB ARG A 24 1.736 10.100 26.783 1.00 0.00 C ATOM 1170 CG ARG A 24 1.385 9.652 25.359 1.00 0.00 C ATOM 1171 CD ARG A 24 0.436 10.650 24.688 1.00 0.00 C ATOM 1172 NE ARG A 24 0.219 10.227 23.278 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.784 10.698 22.592 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.668 11.471 23.161 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -0.913 10.373 21.336 1.00 0.00 N ATOM 0 H ARG A 24 4.284 9.555 26.709 1.00 0.00 H new ATOM 0 HA ARG A 24 2.619 11.949 26.085 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.042 9.236 27.373 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.851 10.517 27.264 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.296 9.558 24.768 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.921 8.666 25.388 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.513 10.686 25.222 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.859 11.654 24.721 1.00 0.00 H new ATOM 0 HE ARG A 24 0.861 9.563 22.845 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.576 11.710 24.148 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.451 11.836 22.618 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.232 9.754 20.897 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.695 10.738 20.793 1.00 0.00 H new ATOM 1189 N ARG A 25 2.044 12.396 28.691 1.00 0.00 N ATOM 1190 CA ARG A 25 2.139 12.929 30.082 1.00 0.00 C ATOM 1191 C ARG A 25 0.792 12.778 30.798 1.00 0.00 C ATOM 1192 O ARG A 25 -0.246 12.649 30.181 1.00 0.00 O ATOM 1193 CB ARG A 25 2.542 14.402 30.026 1.00 0.00 C ATOM 1194 CG ARG A 25 3.977 14.506 29.506 1.00 0.00 C ATOM 1195 CD ARG A 25 4.475 15.941 29.679 1.00 0.00 C ATOM 1196 NE ARG A 25 5.703 16.161 28.854 1.00 0.00 N ATOM 1197 CZ ARG A 25 6.748 15.382 28.958 1.00 0.00 C ATOM 1198 NH1 ARG A 25 6.831 14.505 29.921 1.00 0.00 N ATOM 1199 NH2 ARG A 25 7.746 15.525 28.129 1.00 0.00 N ATOM 0 H ARG A 25 1.193 12.647 28.187 1.00 0.00 H new ATOM 0 HA ARG A 25 2.890 12.367 30.637 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.864 14.953 29.374 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.467 14.851 31.016 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.624 13.817 30.049 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.017 14.219 28.455 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.696 16.643 29.381 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.693 16.134 30.729 1.00 0.00 H new ATOM 0 HE ARG A 25 5.726 16.938 28.194 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.076 14.422 30.602 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.651 13.902 29.993 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.708 16.242 27.404 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.564 14.920 28.206 1.00 0.00 H new ATOM 1213 N ASN A 26 0.817 12.796 32.109 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.435 12.658 32.919 1.00 0.00 C ATOM 1215 C ASN A 26 -0.511 13.846 33.891 1.00 0.00 C ATOM 1216 O ASN A 26 0.512 14.314 34.345 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.352 11.345 33.719 1.00 0.00 C ATOM 1218 CG ASN A 26 -1.380 11.336 34.855 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -1.235 12.051 35.828 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -2.419 10.552 34.773 1.00 0.00 N ATOM 0 H ASN A 26 1.668 12.902 32.662 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.317 12.645 32.278 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.528 10.498 33.056 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.651 11.226 34.129 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.109 10.539 35.524 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.542 9.952 33.957 1.00 0.00 H new ATOM 1227 N PRO A 27 -1.689 14.330 34.227 1.00 0.00 N ATOM 1228 CA PRO A 27 -1.840 15.463 35.191 1.00 0.00 C ATOM 1229 C PRO A 27 -0.933 15.358 36.430 1.00 0.00 C ATOM 1230 O PRO A 27 -0.890 16.264 37.238 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.311 15.380 35.601 1.00 0.00 C ATOM 1232 CG PRO A 27 -4.005 14.844 34.393 1.00 0.00 C ATOM 1233 CD PRO A 27 -3.010 13.893 33.716 1.00 0.00 C ATOM 0 HA PRO A 27 -1.549 16.407 34.731 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.447 14.724 36.461 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.701 16.358 35.882 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.919 14.319 34.670 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.293 15.651 33.719 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.213 12.854 33.974 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.062 13.968 32.630 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.186 14.291 36.579 1.00 0.00 N ATOM 1242 CA GLU A 28 0.734 14.174 37.752 1.00 0.00 C ATOM 1243 C GLU A 28 2.132 14.616 37.317 1.00 0.00 C ATOM 1244 O GLU A 28 3.002 14.868 38.129 1.00 0.00 O ATOM 1245 CB GLU A 28 0.774 12.722 38.242 1.00 0.00 C ATOM 1246 CG GLU A 28 -0.552 12.381 38.927 1.00 0.00 C ATOM 1247 CD GLU A 28 -0.547 10.916 39.365 1.00 0.00 C ATOM 1248 OE1 GLU A 28 0.397 10.219 39.030 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -1.489 10.513 40.028 1.00 0.00 O ATOM 0 H GLU A 28 -0.174 13.497 35.939 1.00 0.00 H new ATOM 0 HA GLU A 28 0.380 14.805 38.567 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.947 12.048 37.403 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.602 12.584 38.938 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.702 13.028 39.791 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.382 12.563 38.244 1.00 0.00 H new ATOM 1256 N GLY A 29 2.346 14.718 36.034 1.00 0.00 N ATOM 1257 CA GLY A 29 3.674 15.147 35.512 1.00 0.00 C ATOM 1258 C GLY A 29 4.596 13.940 35.369 1.00 0.00 C ATOM 1259 O GLY A 29 5.781 14.077 35.136 1.00 0.00 O ATOM 0 H GLY A 29 1.648 14.520 35.317 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.553 15.638 34.546 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.120 15.877 36.187 1.00 0.00 H new ATOM 1263 N GLN A 30 4.064 12.755 35.495 1.00 0.00 N ATOM 1264 CA GLN A 30 4.912 11.539 35.346 1.00 0.00 C ATOM 1265 C GLN A 30 5.000 11.173 33.855 1.00 0.00 C ATOM 1266 O GLN A 30 4.039 11.326 33.127 1.00 0.00 O ATOM 1267 CB GLN A 30 4.286 10.382 36.128 1.00 0.00 C ATOM 1268 CG GLN A 30 4.330 10.694 37.626 1.00 0.00 C ATOM 1269 CD GLN A 30 5.781 10.678 38.113 1.00 0.00 C ATOM 1270 OE1 GLN A 30 6.175 11.503 38.913 1.00 0.00 O ATOM 1271 NE2 GLN A 30 6.601 9.769 37.656 1.00 0.00 N ATOM 0 H GLN A 30 3.080 12.577 35.694 1.00 0.00 H new ATOM 0 HA GLN A 30 5.912 11.732 35.735 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.255 10.229 35.808 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.825 9.457 35.923 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.883 11.669 37.818 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.743 9.960 38.178 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.271 9.076 36.984 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.571 9.753 37.971 1.00 0.00 H new ATOM 1280 N PRO A 31 6.128 10.690 33.388 1.00 0.00 N ATOM 1281 CA PRO A 31 6.295 10.302 31.958 1.00 0.00 C ATOM 1282 C PRO A 31 5.620 8.961 31.651 1.00 0.00 C ATOM 1283 O PRO A 31 5.759 8.002 32.384 1.00 0.00 O ATOM 1284 CB PRO A 31 7.813 10.193 31.793 1.00 0.00 C ATOM 1285 CG PRO A 31 8.308 9.787 33.142 1.00 0.00 C ATOM 1286 CD PRO A 31 7.367 10.455 34.152 1.00 0.00 C ATOM 0 HA PRO A 31 5.836 11.019 31.278 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.078 9.456 31.035 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.247 11.142 31.480 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.295 8.703 33.253 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.338 10.110 33.294 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.188 9.813 35.015 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.785 11.388 34.530 1.00 0.00 H new ATOM 1294 N LEU A 32 4.900 8.896 30.565 1.00 0.00 N ATOM 1295 CA LEU A 32 4.204 7.630 30.180 1.00 0.00 C ATOM 1296 C LEU A 32 4.448 7.350 28.698 1.00 0.00 C ATOM 1297 O LEU A 32 4.524 8.258 27.896 1.00 0.00 O ATOM 1298 CB LEU A 32 2.701 7.792 30.415 1.00 0.00 C ATOM 1299 CG LEU A 32 2.426 8.029 31.902 1.00 0.00 C ATOM 1300 CD1 LEU A 32 0.940 8.342 32.083 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.798 6.781 32.722 1.00 0.00 C ATOM 0 H LEU A 32 4.761 9.673 29.919 1.00 0.00 H new ATOM 0 HA LEU A 32 4.587 6.804 30.780 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.321 8.629 29.829 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.174 6.900 30.077 1.00 0.00 H new ATOM 0 HG LEU A 32 3.030 8.865 32.254 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.730 8.513 33.139 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.684 9.235 31.513 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.345 7.501 31.726 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.597 6.966 33.777 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.204 5.932 32.382 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.857 6.560 32.588 1.00 0.00 H new ATOM 1313 N CYS A 33 4.550 6.103 28.317 1.00 0.00 N ATOM 1314 CA CYS A 33 4.763 5.794 26.879 1.00 0.00 C ATOM 1315 C CYS A 33 3.442 5.974 26.129 1.00 0.00 C ATOM 1316 O CYS A 33 2.417 6.266 26.713 1.00 0.00 O ATOM 1317 CB CYS A 33 5.293 4.366 26.704 1.00 0.00 C ATOM 1318 SG CYS A 33 3.983 3.146 26.980 1.00 0.00 S ATOM 0 H CYS A 33 4.495 5.294 28.936 1.00 0.00 H new ATOM 0 HA CYS A 33 5.508 6.476 26.470 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.700 4.246 25.700 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.111 4.190 27.403 1.00 0.00 H new ATOM 0 HG CYS A 33 4.417 2.216 27.778 1.00 0.00 H new ATOM 1323 N ASN A 34 3.462 5.813 24.837 1.00 0.00 N ATOM 1324 CA ASN A 34 2.218 5.985 24.032 1.00 0.00 C ATOM 1325 C ASN A 34 1.133 4.992 24.462 1.00 0.00 C ATOM 1326 O ASN A 34 -0.010 5.357 24.654 1.00 0.00 O ATOM 1327 CB ASN A 34 2.559 5.757 22.551 1.00 0.00 C ATOM 1328 CG ASN A 34 3.045 7.056 21.921 1.00 0.00 C ATOM 1329 OD1 ASN A 34 2.249 7.866 21.492 1.00 0.00 O ATOM 1330 ND2 ASN A 34 4.324 7.279 21.847 1.00 0.00 N ATOM 0 H ASN A 34 4.292 5.568 24.298 1.00 0.00 H new ATOM 0 HA ASN A 34 1.834 6.993 24.191 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.328 4.990 22.461 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.680 5.392 22.019 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.668 8.142 21.425 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.984 6.591 22.211 1.00 0.00 H new ATOM 1337 N ALA A 35 1.461 3.736 24.564 1.00 0.00 N ATOM 1338 CA ALA A 35 0.422 2.729 24.924 1.00 0.00 C ATOM 1339 C ALA A 35 -0.204 3.027 26.297 1.00 0.00 C ATOM 1340 O ALA A 35 -1.409 3.117 26.416 1.00 0.00 O ATOM 1341 CB ALA A 35 1.055 1.337 24.911 1.00 0.00 C ATOM 0 H ALA A 35 2.398 3.362 24.415 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.382 2.776 24.190 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.303 0.593 25.173 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.445 1.124 23.916 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.869 1.301 25.635 1.00 0.00 H new ATOM 1347 N CYS A 36 0.577 3.177 27.335 1.00 0.00 N ATOM 1348 CA CYS A 36 -0.030 3.457 28.672 1.00 0.00 C ATOM 1349 C CYS A 36 -0.844 4.753 28.621 1.00 0.00 C ATOM 1350 O CYS A 36 -1.929 4.834 29.154 1.00 0.00 O ATOM 1351 CB CYS A 36 1.064 3.621 29.733 1.00 0.00 C ATOM 1352 SG CYS A 36 1.977 2.073 29.940 1.00 0.00 S ATOM 0 H CYS A 36 1.595 3.119 27.318 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.675 2.617 28.930 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.748 4.418 29.440 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.618 3.917 30.682 1.00 0.00 H new ATOM 0 HG CYS A 36 3.233 2.335 30.150 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.328 5.769 27.990 1.00 0.00 N ATOM 1358 CA GLY A 37 -1.081 7.055 27.924 1.00 0.00 C ATOM 1359 C GLY A 37 -2.422 6.826 27.228 1.00 0.00 C ATOM 1360 O GLY A 37 -3.464 7.208 27.723 1.00 0.00 O ATOM 0 H GLY A 37 0.577 5.767 27.519 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.243 7.446 28.929 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.500 7.801 27.381 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.405 6.203 26.083 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.675 5.947 25.353 1.00 0.00 C ATOM 1366 C LEU A 38 -4.538 4.965 26.145 1.00 0.00 C ATOM 1367 O LEU A 38 -5.716 5.178 26.352 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.346 5.322 23.995 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.574 6.320 23.121 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -2.009 5.589 21.894 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.500 7.461 22.670 1.00 0.00 C ATOM 0 H LEU A 38 -1.563 5.860 25.621 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.214 6.886 25.223 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.753 4.418 24.137 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.266 5.024 23.492 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.755 6.746 23.701 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.460 6.295 21.271 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.338 4.795 22.221 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.828 5.158 21.318 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.939 8.161 22.051 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.329 7.050 22.094 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.889 7.981 23.545 1.00 0.00 H new ATOM 1383 N PHE A 39 -3.959 3.877 26.562 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.740 2.856 27.312 1.00 0.00 C ATOM 1385 C PHE A 39 -5.193 3.378 28.675 1.00 0.00 C ATOM 1386 O PHE A 39 -6.339 3.237 29.052 1.00 0.00 O ATOM 1387 CB PHE A 39 -3.881 1.609 27.519 1.00 0.00 C ATOM 1388 CG PHE A 39 -4.692 0.595 28.278 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -4.667 0.589 29.676 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.485 -0.326 27.583 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -5.434 -0.339 30.381 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.257 -1.251 28.288 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.232 -1.257 29.688 1.00 0.00 C ATOM 0 H PHE A 39 -2.976 3.649 26.416 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.627 2.618 26.725 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.567 1.201 26.558 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.975 1.860 28.071 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.055 1.301 30.209 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.499 -0.321 26.503 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.412 -0.349 31.461 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.872 -1.961 27.755 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.830 -1.971 30.234 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.296 3.937 29.435 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.671 4.416 30.795 1.00 0.00 C ATOM 1405 C LEU A 40 -5.773 5.473 30.698 1.00 0.00 C ATOM 1406 O LEU A 40 -6.766 5.400 31.393 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.432 5.006 31.477 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.681 5.192 32.984 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -3.491 3.861 33.728 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.699 6.222 33.546 1.00 0.00 C ATOM 0 H LEU A 40 -3.321 4.083 29.175 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.048 3.580 31.384 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.577 4.348 31.323 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.182 5.965 31.023 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.705 5.539 33.125 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.671 4.010 34.793 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.195 3.124 33.341 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.472 3.503 33.579 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.878 6.351 34.613 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.678 5.875 33.389 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.840 7.175 33.036 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.621 6.459 29.854 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.682 7.503 29.749 1.00 0.00 C ATOM 1424 C LYS A 41 -7.993 6.878 29.251 1.00 0.00 C ATOM 1425 O LYS A 41 -9.057 7.164 29.764 1.00 0.00 O ATOM 1426 CB LYS A 41 -6.224 8.605 28.780 1.00 0.00 C ATOM 1427 CG LYS A 41 -7.165 9.832 28.851 1.00 0.00 C ATOM 1428 CD LYS A 41 -8.193 9.794 27.713 1.00 0.00 C ATOM 1429 CE LYS A 41 -9.227 10.907 27.913 1.00 0.00 C ATOM 1430 NZ LYS A 41 -10.095 10.586 29.082 1.00 0.00 N ATOM 0 H LYS A 41 -4.817 6.586 29.239 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.855 7.937 30.734 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.206 8.908 29.024 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.205 8.215 27.762 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.679 9.847 29.812 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.580 10.749 28.788 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.692 9.918 26.753 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.689 8.824 27.690 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.723 11.860 28.074 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.836 11.016 27.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.985 11.120 29.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.302 9.567 29.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.604 10.847 29.961 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.931 6.049 28.240 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.181 5.435 27.689 1.00 0.00 C ATOM 1446 C LEU A 42 -9.790 4.418 28.662 1.00 0.00 C ATOM 1447 O LEU A 42 -10.990 4.377 28.849 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.855 4.709 26.382 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.460 5.717 25.295 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -7.919 4.953 24.079 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.674 6.572 24.882 1.00 0.00 C ATOM 0 H LEU A 42 -7.069 5.770 27.771 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.899 6.238 27.525 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.041 4.002 26.544 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.719 4.131 26.054 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.691 6.383 25.686 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.636 5.662 23.301 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.047 4.370 24.374 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.690 4.284 23.697 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.374 7.281 24.110 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.460 5.924 24.494 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.048 7.116 25.749 1.00 0.00 H new ATOM 1463 N HIS A 43 -8.992 3.571 29.256 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.558 2.544 30.179 1.00 0.00 C ATOM 1465 C HIS A 43 -9.766 3.147 31.571 1.00 0.00 C ATOM 1466 O HIS A 43 -10.785 2.928 32.197 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.594 1.356 30.260 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.691 0.533 28.999 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -8.223 0.987 27.775 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.203 -0.720 28.762 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.459 0.022 26.867 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -9.055 -1.039 27.416 1.00 0.00 N ATOM 0 H HIS A 43 -7.979 3.545 29.143 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.522 2.205 29.800 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.573 1.713 30.395 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.833 0.740 31.127 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.652 -1.360 29.507 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.198 0.097 25.822 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -9.341 -1.899 26.949 1.00 0.00 H new ATOM 1480 N GLY A 44 -8.829 3.912 32.067 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.006 4.529 33.412 1.00 0.00 C ATOM 1482 C GLY A 44 -8.960 3.463 34.508 1.00 0.00 C ATOM 1483 O GLY A 44 -9.269 3.740 35.650 1.00 0.00 O ATOM 0 H GLY A 44 -7.951 4.135 31.599 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.224 5.268 33.584 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.958 5.058 33.452 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.592 2.250 34.185 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.548 1.176 35.227 1.00 0.00 C ATOM 1489 C VAL A 45 -7.300 0.312 35.048 1.00 0.00 C ATOM 1490 O VAL A 45 -6.893 -0.003 33.948 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.792 0.291 35.113 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -11.029 1.072 35.564 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -9.981 -0.153 33.659 1.00 0.00 C ATOM 0 H VAL A 45 -8.320 1.955 33.247 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.520 1.647 36.209 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.662 -0.585 35.749 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.911 0.437 35.480 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.904 1.385 36.601 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.154 1.951 34.932 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.868 -0.783 33.583 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.103 0.724 33.024 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.107 -0.717 33.334 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.692 -0.064 36.138 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.461 -0.903 36.078 1.00 0.00 C ATOM 1505 C VAL A 46 -5.740 -2.216 35.340 1.00 0.00 C ATOM 1506 O VAL A 46 -6.797 -2.803 35.465 1.00 0.00 O ATOM 1507 CB VAL A 46 -4.993 -1.201 37.504 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -4.645 0.114 38.208 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -6.115 -1.906 38.269 1.00 0.00 C ATOM 0 H VAL A 46 -6.999 0.177 37.080 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.685 -0.362 35.536 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.113 -1.843 37.474 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.311 -0.095 39.224 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.849 0.620 37.661 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.527 0.754 38.240 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.784 -2.119 39.285 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.994 -1.262 38.301 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.368 -2.839 37.766 1.00 0.00 H new ATOM 1519 N ARG A 47 -4.784 -2.681 34.578 1.00 0.00 N ATOM 1520 CA ARG A 47 -4.949 -3.961 33.824 1.00 0.00 C ATOM 1521 C ARG A 47 -3.554 -4.589 33.647 1.00 0.00 C ATOM 1522 O ARG A 47 -2.611 -3.876 33.364 1.00 0.00 O ATOM 1523 CB ARG A 47 -5.570 -3.657 32.450 1.00 0.00 C ATOM 1524 CG ARG A 47 -6.125 -4.946 31.830 1.00 0.00 C ATOM 1525 CD ARG A 47 -6.889 -4.652 30.534 1.00 0.00 C ATOM 1526 NE ARG A 47 -7.345 -5.938 29.935 1.00 0.00 N ATOM 1527 CZ ARG A 47 -8.342 -5.964 29.090 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -8.993 -4.870 28.798 1.00 0.00 N ATOM 1529 NH2 ARG A 47 -8.699 -7.098 28.547 1.00 0.00 N ATOM 0 H ARG A 47 -3.883 -2.222 34.444 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.602 -4.650 34.361 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.368 -2.922 32.557 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.820 -3.220 31.791 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.306 -5.636 31.624 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.787 -5.440 32.542 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.744 -4.009 30.739 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.249 -4.117 29.833 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.874 -6.807 30.187 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.725 -3.986 29.230 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.770 -4.900 28.137 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.200 -7.956 28.783 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.476 -7.125 27.887 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.394 -5.890 33.820 1.00 0.00 N ATOM 1544 CA PRO A 48 -2.072 -6.564 33.678 1.00 0.00 C ATOM 1545 C PRO A 48 -1.114 -5.872 32.704 1.00 0.00 C ATOM 1546 O PRO A 48 -1.261 -5.953 31.501 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.460 -7.944 33.158 1.00 0.00 C ATOM 1548 CG PRO A 48 -3.766 -8.244 33.834 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.423 -6.890 34.173 1.00 0.00 C ATOM 0 HA PRO A 48 -1.522 -6.563 34.619 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.565 -7.945 32.073 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -1.704 -8.689 33.406 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.411 -8.833 33.182 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.606 -8.831 34.738 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.339 -6.738 33.602 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -4.691 -6.830 35.228 1.00 0.00 H new ATOM 1557 N LEU A 49 -0.114 -5.224 33.228 1.00 0.00 N ATOM 1558 CA LEU A 49 0.886 -4.557 32.353 1.00 0.00 C ATOM 1559 C LEU A 49 1.533 -5.631 31.477 1.00 0.00 C ATOM 1560 O LEU A 49 2.283 -5.347 30.565 1.00 0.00 O ATOM 1561 CB LEU A 49 1.936 -3.853 33.219 1.00 0.00 C ATOM 1562 CG LEU A 49 1.244 -2.787 34.081 1.00 0.00 C ATOM 1563 CD1 LEU A 49 2.222 -2.273 35.142 1.00 0.00 C ATOM 1564 CD2 LEU A 49 0.765 -1.612 33.205 1.00 0.00 C ATOM 0 H LEU A 49 0.054 -5.127 34.229 1.00 0.00 H new ATOM 0 HA LEU A 49 0.412 -3.805 31.721 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.446 -4.577 33.854 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.696 -3.391 32.588 1.00 0.00 H new ATOM 0 HG LEU A 49 0.378 -3.236 34.567 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.731 -1.516 35.754 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.540 -3.101 35.775 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.092 -1.835 34.653 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.277 -0.866 33.832 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.620 -1.160 32.703 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.058 -1.978 32.460 1.00 0.00 H new ATOM 1576 N SER A 50 1.238 -6.873 31.760 1.00 0.00 N ATOM 1577 CA SER A 50 1.820 -7.985 30.963 1.00 0.00 C ATOM 1578 C SER A 50 1.435 -7.801 29.491 1.00 0.00 C ATOM 1579 O SER A 50 1.932 -8.487 28.621 1.00 0.00 O ATOM 1580 CB SER A 50 1.272 -9.322 31.470 1.00 0.00 C ATOM 1581 OG SER A 50 -0.124 -9.382 31.209 1.00 0.00 O ATOM 0 H SER A 50 0.615 -7.163 32.514 1.00 0.00 H new ATOM 0 HA SER A 50 2.905 -7.979 31.064 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.783 -10.149 30.977 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.459 -9.424 32.539 1.00 0.00 H new ATOM 0 HG SER A 50 -0.480 -10.237 31.530 1.00 0.00 H new ATOM 1587 N LEU A 51 0.570 -6.864 29.202 1.00 0.00 N ATOM 1588 CA LEU A 51 0.183 -6.632 27.778 1.00 0.00 C ATOM 1589 C LEU A 51 1.380 -5.994 27.065 1.00 0.00 C ATOM 1590 O LEU A 51 1.681 -6.298 25.928 1.00 0.00 O ATOM 1591 CB LEU A 51 -1.001 -5.663 27.709 1.00 0.00 C ATOM 1592 CG LEU A 51 -2.222 -6.259 28.423 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -3.206 -5.138 28.765 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -2.923 -7.284 27.521 1.00 0.00 C ATOM 0 H LEU A 51 0.118 -6.254 29.883 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.099 -7.575 27.310 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.729 -4.714 28.170 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.247 -5.453 26.668 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.888 -6.756 29.334 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.074 -5.558 29.272 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.720 -4.414 29.418 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.526 -4.642 27.848 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.787 -7.697 28.042 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.252 -6.796 26.603 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.229 -8.088 27.276 1.00 0.00 H new ATOM 1606 N LYS A 52 2.063 -5.114 27.744 1.00 0.00 N ATOM 1607 CA LYS A 52 3.254 -4.434 27.150 1.00 0.00 C ATOM 1608 C LYS A 52 4.223 -5.465 26.566 1.00 0.00 C ATOM 1609 O LYS A 52 4.274 -6.606 26.984 1.00 0.00 O ATOM 1610 CB LYS A 52 3.950 -3.624 28.256 1.00 0.00 C ATOM 1611 CG LYS A 52 5.260 -2.973 27.747 1.00 0.00 C ATOM 1612 CD LYS A 52 6.486 -3.798 28.178 1.00 0.00 C ATOM 1613 CE LYS A 52 7.775 -3.013 27.913 1.00 0.00 C ATOM 1614 NZ LYS A 52 7.763 -2.459 26.527 1.00 0.00 N ATOM 0 H LYS A 52 1.845 -4.832 28.700 1.00 0.00 H new ATOM 0 HA LYS A 52 2.937 -3.774 26.343 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.275 -2.849 28.620 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.171 -4.276 29.101 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.233 -2.894 26.660 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.343 -1.959 28.138 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.413 -4.044 29.237 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.508 -4.741 27.633 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.872 -2.203 28.636 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.640 -3.663 28.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.735 -2.423 26.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.184 -3.068 25.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.362 -1.500 26.540 1.00 0.00 H new ATOM 1628 N THR A 53 5.014 -5.047 25.614 1.00 0.00 N ATOM 1629 CA THR A 53 6.020 -5.953 24.993 1.00 0.00 C ATOM 1630 C THR A 53 7.228 -5.115 24.584 1.00 0.00 C ATOM 1631 O THR A 53 7.171 -3.901 24.569 1.00 0.00 O ATOM 1632 CB THR A 53 5.425 -6.648 23.767 1.00 0.00 C ATOM 1633 OG1 THR A 53 6.473 -7.203 22.985 1.00 0.00 O ATOM 1634 CG2 THR A 53 4.630 -5.648 22.925 1.00 0.00 C ATOM 0 H THR A 53 5.004 -4.100 25.235 1.00 0.00 H new ATOM 0 HA THR A 53 6.318 -6.721 25.706 1.00 0.00 H new ATOM 0 HB THR A 53 4.754 -7.441 24.098 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.094 -7.650 22.200 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.212 -6.156 22.056 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.821 -5.229 23.524 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.289 -4.846 22.594 1.00 0.00 H new ATOM 1642 N ASP A 54 8.326 -5.740 24.266 1.00 0.00 N ATOM 1643 CA ASP A 54 9.536 -4.959 23.879 1.00 0.00 C ATOM 1644 C ASP A 54 9.545 -4.775 22.362 1.00 0.00 C ATOM 1645 O ASP A 54 10.426 -4.147 21.809 1.00 0.00 O ATOM 1646 CB ASP A 54 10.790 -5.729 24.302 1.00 0.00 C ATOM 1647 CG ASP A 54 10.877 -5.766 25.828 1.00 0.00 C ATOM 1648 OD1 ASP A 54 10.267 -4.918 26.458 1.00 0.00 O ATOM 1649 OD2 ASP A 54 11.551 -6.644 26.341 1.00 0.00 O ATOM 0 H ASP A 54 8.440 -6.754 24.257 1.00 0.00 H new ATOM 0 HA ASP A 54 9.522 -3.986 24.370 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.758 -6.743 23.905 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.679 -5.253 23.888 1.00 0.00 H new ATOM 1654 N VAL A 55 8.555 -5.306 21.690 1.00 0.00 N ATOM 1655 CA VAL A 55 8.466 -5.165 20.205 1.00 0.00 C ATOM 1656 C VAL A 55 7.264 -4.279 19.879 1.00 0.00 C ATOM 1657 O VAL A 55 6.187 -4.466 20.408 1.00 0.00 O ATOM 1658 CB VAL A 55 8.264 -6.538 19.569 1.00 0.00 C ATOM 1659 CG1 VAL A 55 8.224 -6.388 18.046 1.00 0.00 C ATOM 1660 CG2 VAL A 55 9.418 -7.461 19.970 1.00 0.00 C ATOM 0 H VAL A 55 7.795 -5.838 22.113 1.00 0.00 H new ATOM 0 HA VAL A 55 9.383 -4.723 19.816 1.00 0.00 H new ATOM 0 HB VAL A 55 7.324 -6.969 19.915 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.080 -7.366 17.588 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.400 -5.731 17.767 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.164 -5.959 17.698 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.274 -8.442 19.516 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.361 -7.036 19.625 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.442 -7.563 21.055 1.00 0.00 H new ATOM 1670 N ILE A 56 7.443 -3.309 19.023 1.00 0.00 N ATOM 1671 CA ILE A 56 6.319 -2.390 18.665 1.00 0.00 C ATOM 1672 C ILE A 56 5.785 -2.752 17.281 1.00 0.00 C ATOM 1673 O ILE A 56 6.539 -2.962 16.352 1.00 0.00 O ATOM 1674 CB ILE A 56 6.838 -0.953 18.633 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.410 -0.593 20.005 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.682 -0.004 18.298 1.00 0.00 C ATOM 1677 CD1 ILE A 56 8.228 0.694 19.895 1.00 0.00 C ATOM 0 H ILE A 56 8.326 -3.111 18.552 1.00 0.00 H new ATOM 0 HA ILE A 56 5.523 -2.485 19.403 1.00 0.00 H new ATOM 0 HB ILE A 56 7.617 -0.860 17.876 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.602 -0.462 20.725 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.037 -1.405 20.374 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.049 1.022 18.274 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.268 -0.264 17.324 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.905 -0.094 19.057 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.636 0.951 20.873 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.045 0.547 19.189 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.587 1.504 19.545 1.00 0.00 H new ATOM 1689 N LYS A 57 4.489 -2.818 17.130 1.00 0.00 N ATOM 1690 CA LYS A 57 3.916 -3.158 15.798 1.00 0.00 C ATOM 1691 C LYS A 57 3.875 -1.897 14.942 1.00 0.00 C ATOM 1692 O LYS A 57 3.210 -0.932 15.266 1.00 0.00 O ATOM 1693 CB LYS A 57 2.496 -3.693 15.969 1.00 0.00 C ATOM 1694 CG LYS A 57 1.965 -4.199 14.624 1.00 0.00 C ATOM 1695 CD LYS A 57 0.551 -4.747 14.835 1.00 0.00 C ATOM 1696 CE LYS A 57 -0.061 -5.193 13.501 1.00 0.00 C ATOM 1697 NZ LYS A 57 0.795 -6.240 12.874 1.00 0.00 N ATOM 0 H LYS A 57 3.806 -2.652 17.869 1.00 0.00 H new ATOM 0 HA LYS A 57 4.533 -3.918 15.318 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.488 -4.501 16.700 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.846 -2.908 16.355 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.953 -3.390 13.893 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.618 -4.977 14.228 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.581 -5.589 15.527 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.077 -3.982 15.291 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.066 -5.582 13.664 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.155 -4.339 12.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.263 -6.716 12.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.647 -5.798 12.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.073 -6.938 13.593 1.00 0.00 H new ATOM 1711 N LYS A 58 4.579 -1.907 13.846 1.00 0.00 N ATOM 1712 CA LYS A 58 4.589 -0.725 12.944 1.00 0.00 C ATOM 1713 C LYS A 58 3.456 -0.879 11.929 1.00 0.00 C ATOM 1714 O LYS A 58 3.355 -1.880 11.249 1.00 0.00 O ATOM 1715 CB LYS A 58 5.940 -0.662 12.226 1.00 0.00 C ATOM 1716 CG LYS A 58 7.033 -0.340 13.252 1.00 0.00 C ATOM 1717 CD LYS A 58 8.408 -0.352 12.579 1.00 0.00 C ATOM 1718 CE LYS A 58 9.467 0.137 13.573 1.00 0.00 C ATOM 1719 NZ LYS A 58 9.436 -0.710 14.798 1.00 0.00 N ATOM 0 H LYS A 58 5.153 -2.691 13.534 1.00 0.00 H new ATOM 0 HA LYS A 58 4.444 0.195 13.510 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.151 -1.612 11.736 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.918 0.100 11.447 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.847 0.637 13.698 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.009 -1.070 14.061 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.650 -1.359 12.240 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.399 0.288 11.697 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.455 0.095 13.116 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.280 1.179 13.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.323 -0.588 15.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.635 -0.425 15.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.328 -1.708 14.527 1.00 0.00 H new ATOM 1733 N ARG A 59 2.600 0.100 11.823 1.00 0.00 N ATOM 1734 CA ARG A 59 1.469 0.012 10.857 1.00 0.00 C ATOM 1735 C ARG A 59 1.838 0.781 9.595 1.00 0.00 C ATOM 1736 O ARG A 59 2.946 1.255 9.444 1.00 0.00 O ATOM 1737 CB ARG A 59 0.214 0.638 11.461 1.00 0.00 C ATOM 1738 CG ARG A 59 -0.264 -0.191 12.655 1.00 0.00 C ATOM 1739 CD ARG A 59 -1.620 0.340 13.117 1.00 0.00 C ATOM 1740 NE ARG A 59 -1.523 1.815 13.290 1.00 0.00 N ATOM 1741 CZ ARG A 59 -2.602 2.543 13.380 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -3.781 1.985 13.328 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -2.494 3.835 13.517 1.00 0.00 N ATOM 0 H ARG A 59 2.636 0.962 12.367 1.00 0.00 H new ATOM 0 HA ARG A 59 1.276 -1.035 10.625 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.424 1.659 11.778 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.573 0.693 10.708 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.346 -1.241 12.376 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.460 -0.133 13.468 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.390 0.096 12.386 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.910 -0.132 14.056 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.606 2.260 13.339 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.862 0.974 13.216 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.621 2.560 13.399 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.571 4.269 13.553 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.332 4.412 13.588 1.00 0.00 H new ATOM 1757 N ASN A 60 0.924 0.882 8.679 1.00 0.00 N ATOM 1758 CA ASN A 60 1.212 1.591 7.407 1.00 0.00 C ATOM 1759 C ASN A 60 1.207 3.096 7.648 1.00 0.00 C ATOM 1760 O ASN A 60 1.150 3.556 8.772 1.00 0.00 O ATOM 1761 CB ASN A 60 0.131 1.231 6.389 1.00 0.00 C ATOM 1762 CG ASN A 60 0.035 -0.292 6.285 1.00 0.00 C ATOM 1763 OD1 ASN A 60 -0.933 -0.883 6.721 1.00 0.00 O ATOM 1764 ND2 ASN A 60 1.007 -0.958 5.725 1.00 0.00 N ATOM 0 H ASN A 60 -0.019 0.501 8.757 1.00 0.00 H new ATOM 0 HA ASN A 60 2.191 1.294 7.030 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.828 1.649 6.694 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.371 1.661 5.416 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.954 -1.974 5.653 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.820 -0.463 5.359 1.00 0.00 H new