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 159:sc= 1.3 USER MOD Set 1.2: A 15 CYS SG : rot -61:sc= 0.233 USER MOD Set 1.3: A 17 THR OG1 : rot 100:sc= -1.36 USER MOD Set 1.4: A 33 CYS SG : rot -132:sc= 1.35 USER MOD Set 1.5: A 36 CYS SG : rot 144:sc= 0.221 USER MOD Set 2.1: A 20 THR OG1 : rot 74:sc= 1.22 USER MOD Set 2.2: A 34 ASN : amide:sc= -2.23! C(o=-1!,f=-10!) USER MOD Set 3.1: A 13 THR OG1 : rot 65:sc= 0.177 USER MOD Set 3.2: A 14 ASN : amide:sc= -2.5 K(o=-3.9,f=-7.3!) USER MOD Set 3.3: A 30 GLN : amide:sc= -1.54! K(o=-3.9!,f=-2.4) USER MOD Single : A 11 THR OG1 : rot 31:sc= 0.376 USER MOD Single : A 18 GLN : amide:sc= -0.801 K(o=-0.8,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.08 K(o=-1.1,f=-4.2!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -4.88! C(o=-4.9!,f=-5.7!) USER MOD Single : A 50 SER OG : rot -26:sc= 0.453 USER MOD Single : A 52 LYS NZ :NH3+ 157:sc= 1.67 (180deg=-0.677) USER MOD Single : A 53 THR OG1 : rot 140:sc= -0.941 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -162:sc= -0.0174 (180deg=-0.348) USER MOD Single : A 60 ASN : amide:sc= -0.0435 K(o=-0.043,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 11.784 7.643 31.501 1.00 0.00 N ATOM 971 CA THR A 11 11.296 6.253 31.239 1.00 0.00 C ATOM 972 C THR A 11 9.848 6.114 31.712 1.00 0.00 C ATOM 973 O THR A 11 9.430 6.737 32.666 1.00 0.00 O ATOM 974 CB THR A 11 12.181 5.252 31.986 1.00 0.00 C ATOM 975 OG1 THR A 11 13.546 5.593 31.787 1.00 0.00 O ATOM 976 CG2 THR A 11 11.931 3.835 31.454 1.00 0.00 C ATOM 0 HA THR A 11 11.343 6.050 30.169 1.00 0.00 H new ATOM 0 HB THR A 11 11.942 5.284 33.049 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.629 6.564 31.682 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.564 3.128 31.990 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.884 3.570 31.603 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.167 3.799 30.390 1.00 0.00 H new ATOM 984 N CYS A 12 9.081 5.301 31.039 1.00 0.00 N ATOM 985 CA CYS A 12 7.656 5.116 31.431 1.00 0.00 C ATOM 986 C CYS A 12 7.573 4.567 32.855 1.00 0.00 C ATOM 987 O CYS A 12 7.875 3.419 33.114 1.00 0.00 O ATOM 988 CB CYS A 12 6.983 4.140 30.469 1.00 0.00 C ATOM 989 SG CYS A 12 5.189 4.344 30.574 1.00 0.00 S ATOM 0 H CYS A 12 9.381 4.755 30.232 1.00 0.00 H new ATOM 0 HA CYS A 12 7.147 6.079 31.389 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.323 4.323 29.450 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.260 3.116 30.718 1.00 0.00 H new ATOM 0 HG CYS A 12 4.636 3.884 29.491 1.00 0.00 H new ATOM 994 N THR A 13 7.150 5.384 33.775 1.00 0.00 N ATOM 995 CA THR A 13 7.034 4.933 35.188 1.00 0.00 C ATOM 996 C THR A 13 5.947 3.862 35.310 1.00 0.00 C ATOM 997 O THR A 13 5.797 3.244 36.345 1.00 0.00 O ATOM 998 CB THR A 13 6.651 6.126 36.066 1.00 0.00 C ATOM 999 OG1 THR A 13 5.515 6.771 35.508 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.818 7.113 36.142 1.00 0.00 C ATOM 0 H THR A 13 6.877 6.353 33.608 1.00 0.00 H new ATOM 0 HA THR A 13 7.990 4.518 35.509 1.00 0.00 H new ATOM 0 HB THR A 13 6.417 5.776 37.071 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.745 6.166 35.543 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.538 7.960 36.769 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.688 6.616 36.571 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.060 7.468 35.140 1.00 0.00 H new ATOM 1008 N ASN A 14 5.171 3.650 34.277 1.00 0.00 N ATOM 1009 CA ASN A 14 4.076 2.634 34.356 1.00 0.00 C ATOM 1010 C ASN A 14 4.498 1.312 33.708 1.00 0.00 C ATOM 1011 O ASN A 14 4.064 0.258 34.128 1.00 0.00 O ATOM 1012 CB ASN A 14 2.844 3.177 33.629 1.00 0.00 C ATOM 1013 CG ASN A 14 2.275 4.362 34.410 1.00 0.00 C ATOM 1014 OD1 ASN A 14 2.981 5.007 35.160 1.00 0.00 O ATOM 1015 ND2 ASN A 14 1.016 4.675 34.271 1.00 0.00 N ATOM 0 H ASN A 14 5.248 4.136 33.383 1.00 0.00 H new ATOM 0 HA ASN A 14 3.853 2.445 35.406 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.112 3.488 32.619 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.091 2.395 33.533 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.625 5.460 34.792 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.423 4.134 33.642 1.00 0.00 H new ATOM 1022 N CYS A 15 5.327 1.341 32.691 1.00 0.00 N ATOM 1023 CA CYS A 15 5.747 0.062 32.033 1.00 0.00 C ATOM 1024 C CYS A 15 7.240 0.120 31.690 1.00 0.00 C ATOM 1025 O CYS A 15 7.735 -0.647 30.890 1.00 0.00 O ATOM 1026 CB CYS A 15 4.904 -0.175 30.772 1.00 0.00 C ATOM 1027 SG CYS A 15 5.519 0.822 29.393 1.00 0.00 S ATOM 0 H CYS A 15 5.729 2.189 32.290 1.00 0.00 H new ATOM 0 HA CYS A 15 5.584 -0.770 32.717 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.931 -1.231 30.504 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.862 0.076 30.973 1.00 0.00 H new ATOM 0 HG CYS A 15 5.446 2.083 29.702 1.00 0.00 H new ATOM 1032 N PHE A 16 7.955 1.019 32.314 1.00 0.00 N ATOM 1033 CA PHE A 16 9.427 1.159 32.093 1.00 0.00 C ATOM 1034 C PHE A 16 9.802 1.187 30.606 1.00 0.00 C ATOM 1035 O PHE A 16 10.968 1.248 30.269 1.00 0.00 O ATOM 1036 CB PHE A 16 10.182 0.026 32.803 1.00 0.00 C ATOM 1037 CG PHE A 16 9.936 -1.300 32.121 1.00 0.00 C ATOM 1038 CD1 PHE A 16 10.709 -1.667 31.012 1.00 0.00 C ATOM 1039 CD2 PHE A 16 8.954 -2.173 32.608 1.00 0.00 C ATOM 1040 CE1 PHE A 16 10.497 -2.901 30.387 1.00 0.00 C ATOM 1041 CE2 PHE A 16 8.742 -3.407 31.981 1.00 0.00 C ATOM 1042 CZ PHE A 16 9.514 -3.771 30.871 1.00 0.00 C ATOM 0 H PHE A 16 7.569 1.681 32.987 1.00 0.00 H new ATOM 0 HA PHE A 16 9.720 2.119 32.517 1.00 0.00 H new ATOM 0 HB2 PHE A 16 11.250 0.244 32.808 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.863 -0.032 33.844 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.469 -0.997 30.639 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.361 -1.894 33.466 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.092 -3.182 29.531 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.983 -4.078 32.354 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.351 -4.723 30.388 1.00 0.00 H new ATOM 1052 N THR A 17 8.860 1.144 29.706 1.00 0.00 N ATOM 1053 CA THR A 17 9.240 1.164 28.263 1.00 0.00 C ATOM 1054 C THR A 17 10.116 2.390 27.990 1.00 0.00 C ATOM 1055 O THR A 17 9.743 3.504 28.290 1.00 0.00 O ATOM 1056 CB THR A 17 7.966 1.244 27.412 1.00 0.00 C ATOM 1057 OG1 THR A 17 7.280 0.003 27.477 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.318 1.559 25.954 1.00 0.00 C ATOM 0 H THR A 17 7.860 1.097 29.900 1.00 0.00 H new ATOM 0 HA THR A 17 9.793 0.259 28.011 1.00 0.00 H new ATOM 0 HB THR A 17 7.329 2.040 27.799 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.541 0.071 28.117 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.404 1.613 25.362 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.839 2.515 25.904 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.961 0.774 25.557 1.00 0.00 H new ATOM 1066 N GLN A 18 11.283 2.186 27.426 1.00 0.00 N ATOM 1067 CA GLN A 18 12.197 3.334 27.132 1.00 0.00 C ATOM 1068 C GLN A 18 12.094 3.725 25.655 1.00 0.00 C ATOM 1069 O GLN A 18 12.716 4.674 25.218 1.00 0.00 O ATOM 1070 CB GLN A 18 13.641 2.936 27.460 1.00 0.00 C ATOM 1071 CG GLN A 18 14.106 1.816 26.527 1.00 0.00 C ATOM 1072 CD GLN A 18 15.466 1.300 27.003 1.00 0.00 C ATOM 1073 OE1 GLN A 18 15.816 0.161 26.763 1.00 0.00 O ATOM 1074 NE2 GLN A 18 16.253 2.096 27.673 1.00 0.00 N ATOM 0 H GLN A 18 11.642 1.270 27.156 1.00 0.00 H new ATOM 0 HA GLN A 18 11.905 4.187 27.745 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.297 3.801 27.357 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.709 2.607 28.497 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.377 1.005 26.521 1.00 0.00 H new ATOM 0 HG3 GLN A 18 14.181 2.185 25.504 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.960 3.052 27.875 1.00 0.00 H new ATOM 0 HE22 GLN A 18 17.162 1.762 27.995 1.00 0.00 H new ATOM 1083 N THR A 19 11.309 3.011 24.886 1.00 0.00 N ATOM 1084 CA THR A 19 11.148 3.343 23.434 1.00 0.00 C ATOM 1085 C THR A 19 9.677 3.653 23.158 1.00 0.00 C ATOM 1086 O THR A 19 8.801 2.883 23.499 1.00 0.00 O ATOM 1087 CB THR A 19 11.576 2.143 22.579 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.882 1.735 22.963 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.588 2.545 21.101 1.00 0.00 C ATOM 0 H THR A 19 10.769 2.206 25.203 1.00 0.00 H new ATOM 0 HA THR A 19 11.768 4.205 23.185 1.00 0.00 H new ATOM 0 HB THR A 19 10.874 1.322 22.728 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.158 0.967 22.420 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.892 1.692 20.494 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.590 2.865 20.803 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.291 3.365 20.953 1.00 0.00 H new ATOM 1097 N THR A 20 9.388 4.772 22.546 1.00 0.00 N ATOM 1098 CA THR A 20 7.962 5.101 22.264 1.00 0.00 C ATOM 1099 C THR A 20 7.867 6.205 21.196 1.00 0.00 C ATOM 1100 O THR A 20 8.621 7.157 21.231 1.00 0.00 O ATOM 1101 CB THR A 20 7.305 5.591 23.556 1.00 0.00 C ATOM 1102 OG1 THR A 20 5.910 5.762 23.342 1.00 0.00 O ATOM 1103 CG2 THR A 20 7.926 6.924 23.986 1.00 0.00 C ATOM 0 H THR A 20 10.069 5.464 22.233 1.00 0.00 H new ATOM 0 HA THR A 20 7.454 4.210 21.894 1.00 0.00 H new ATOM 0 HB THR A 20 7.466 4.853 24.342 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.475 4.885 23.305 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.453 7.266 24.906 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.994 6.790 24.155 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.773 7.666 23.202 1.00 0.00 H new ATOM 1111 N PRO A 21 6.944 6.105 20.263 1.00 0.00 N ATOM 1112 CA PRO A 21 6.773 7.144 19.208 1.00 0.00 C ATOM 1113 C PRO A 21 6.741 8.552 19.812 1.00 0.00 C ATOM 1114 O PRO A 21 7.168 9.514 19.205 1.00 0.00 O ATOM 1115 CB PRO A 21 5.419 6.823 18.552 1.00 0.00 C ATOM 1116 CG PRO A 21 5.073 5.415 18.939 1.00 0.00 C ATOM 1117 CD PRO A 21 5.981 5.002 20.108 1.00 0.00 C ATOM 0 HA PRO A 21 7.600 7.130 18.498 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.651 7.517 18.892 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.481 6.922 17.468 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.025 5.347 19.230 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.213 4.743 18.093 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.404 4.853 21.020 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.491 4.062 19.897 1.00 0.00 H new ATOM 1125 N VAL A 22 6.218 8.670 21.000 1.00 0.00 N ATOM 1126 CA VAL A 22 6.131 10.006 21.652 1.00 0.00 C ATOM 1127 C VAL A 22 5.852 9.829 23.145 1.00 0.00 C ATOM 1128 O VAL A 22 5.241 8.868 23.566 1.00 0.00 O ATOM 1129 CB VAL A 22 4.995 10.808 21.015 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.663 10.093 21.260 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.945 12.206 21.637 1.00 0.00 C ATOM 0 H VAL A 22 5.846 7.896 21.550 1.00 0.00 H new ATOM 0 HA VAL A 22 7.073 10.537 21.519 1.00 0.00 H new ATOM 0 HB VAL A 22 5.169 10.893 19.942 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.854 10.665 20.806 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.697 9.098 20.816 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.488 10.006 22.332 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.135 12.777 21.183 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.772 12.121 22.710 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.892 12.716 21.462 1.00 0.00 H new ATOM 1141 N TRP A 23 6.311 10.751 23.947 1.00 0.00 N ATOM 1142 CA TRP A 23 6.096 10.651 25.420 1.00 0.00 C ATOM 1143 C TRP A 23 4.805 11.374 25.819 1.00 0.00 C ATOM 1144 O TRP A 23 4.555 12.493 25.417 1.00 0.00 O ATOM 1145 CB TRP A 23 7.290 11.278 26.139 1.00 0.00 C ATOM 1146 CG TRP A 23 8.481 10.390 25.971 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.525 10.626 25.143 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.756 9.119 26.624 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.428 9.584 25.254 1.00 0.00 N ATOM 1150 CE2 TRP A 23 9.998 8.630 26.154 1.00 0.00 C ATOM 1151 CE3 TRP A 23 8.056 8.354 27.572 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.525 7.420 26.609 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.583 7.138 28.032 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.813 6.673 27.552 1.00 0.00 C ATOM 0 H TRP A 23 6.829 11.575 23.643 1.00 0.00 H new ATOM 0 HA TRP A 23 6.004 9.602 25.703 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.498 12.267 25.731 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.065 11.410 27.197 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.635 11.487 24.501 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.304 9.528 24.735 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.106 8.704 27.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.474 7.064 26.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 8.037 6.557 28.761 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.212 5.736 27.911 1.00 0.00 H new ATOM 1165 N ARG A 24 3.987 10.733 26.615 1.00 0.00 N ATOM 1166 CA ARG A 24 2.703 11.354 27.066 1.00 0.00 C ATOM 1167 C ARG A 24 2.880 11.873 28.495 1.00 0.00 C ATOM 1168 O ARG A 24 3.865 11.588 29.145 1.00 0.00 O ATOM 1169 CB ARG A 24 1.595 10.293 27.058 1.00 0.00 C ATOM 1170 CG ARG A 24 1.282 9.838 25.624 1.00 0.00 C ATOM 1171 CD ARG A 24 0.314 10.814 24.943 1.00 0.00 C ATOM 1172 NE ARG A 24 0.161 10.440 23.509 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.862 10.876 22.824 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.801 11.565 23.412 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -0.954 10.602 21.551 1.00 0.00 N ATOM 0 H ARG A 24 4.156 9.794 26.976 1.00 0.00 H new ATOM 0 HA ARG A 24 2.435 12.172 26.398 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.903 9.436 27.657 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.695 10.698 27.520 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.205 9.773 25.048 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.846 8.839 25.641 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.655 10.790 25.442 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.690 11.834 25.026 1.00 0.00 H new ATOM 0 HE ARG A 24 0.856 9.843 23.062 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.738 11.765 24.410 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.598 11.904 22.873 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.228 10.049 21.095 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.751 10.941 21.013 1.00 0.00 H new ATOM 1189 N ARG A 25 1.930 12.627 28.992 1.00 0.00 N ATOM 1190 CA ARG A 25 2.039 13.161 30.385 1.00 0.00 C ATOM 1191 C ARG A 25 0.694 13.035 31.096 1.00 0.00 C ATOM 1192 O ARG A 25 -0.334 12.826 30.483 1.00 0.00 O ATOM 1193 CB ARG A 25 2.462 14.629 30.352 1.00 0.00 C ATOM 1194 CG ARG A 25 3.865 14.726 29.759 1.00 0.00 C ATOM 1195 CD ARG A 25 4.354 16.170 29.833 1.00 0.00 C ATOM 1196 NE ARG A 25 5.721 16.248 29.247 1.00 0.00 N ATOM 1197 CZ ARG A 25 6.254 17.406 28.976 1.00 0.00 C ATOM 1198 NH1 ARG A 25 5.595 18.504 29.228 1.00 0.00 N ATOM 1199 NH2 ARG A 25 7.448 17.464 28.454 1.00 0.00 N ATOM 0 H ARG A 25 1.083 12.896 28.492 1.00 0.00 H new ATOM 0 HA ARG A 25 2.789 12.583 30.925 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.759 15.210 29.755 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.448 15.048 31.358 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.547 14.072 30.303 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.857 14.387 28.723 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.674 16.826 29.291 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.368 16.511 30.868 1.00 0.00 H new ATOM 0 HE ARG A 25 6.242 15.392 29.057 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.662 18.456 29.637 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.013 19.410 29.016 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.962 16.605 28.259 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.868 18.369 28.241 1.00 0.00 H new ATOM 1213 N ASN A 26 0.710 13.142 32.399 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.541 13.009 33.203 1.00 0.00 C ATOM 1215 C ASN A 26 -0.592 14.163 34.220 1.00 0.00 C ATOM 1216 O ASN A 26 0.439 14.565 34.717 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.462 11.667 33.941 1.00 0.00 C ATOM 1218 CG ASN A 26 -1.705 11.443 34.802 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -1.837 12.020 35.863 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -2.628 10.618 34.388 1.00 0.00 N ATOM 0 H ASN A 26 1.551 13.319 32.949 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.431 13.047 32.575 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.364 10.856 33.219 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.429 11.645 34.569 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.460 10.458 34.955 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.517 10.134 33.497 1.00 0.00 H new ATOM 1227 N PRO A 27 -1.757 14.701 34.533 1.00 0.00 N ATOM 1228 CA PRO A 27 -1.897 15.818 35.524 1.00 0.00 C ATOM 1229 C PRO A 27 -1.045 15.654 36.796 1.00 0.00 C ATOM 1230 O PRO A 27 -1.056 16.510 37.659 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.383 15.782 35.886 1.00 0.00 C ATOM 1232 CG PRO A 27 -4.060 15.301 34.648 1.00 0.00 C ATOM 1233 CD PRO A 27 -3.077 14.339 33.966 1.00 0.00 C ATOM 0 HA PRO A 27 -1.549 16.757 35.093 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.570 15.113 36.726 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.744 16.768 36.178 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.996 14.796 34.888 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.307 16.135 33.991 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.328 13.299 34.175 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.091 14.458 32.883 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.286 14.596 36.912 1.00 0.00 N ATOM 1242 CA GLU A 28 0.585 14.415 38.111 1.00 0.00 C ATOM 1243 C GLU A 28 2.005 14.831 37.725 1.00 0.00 C ATOM 1244 O GLU A 28 2.845 15.097 38.562 1.00 0.00 O ATOM 1245 CB GLU A 28 0.582 12.945 38.534 1.00 0.00 C ATOM 1246 CG GLU A 28 -0.800 12.569 39.069 1.00 0.00 C ATOM 1247 CD GLU A 28 -0.796 11.102 39.500 1.00 0.00 C ATOM 1248 OE1 GLU A 28 0.237 10.469 39.360 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -1.822 10.639 39.971 1.00 0.00 O ATOM 0 H GLU A 28 -0.232 13.845 36.224 1.00 0.00 H new ATOM 0 HA GLU A 28 0.219 15.020 38.941 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.840 12.311 37.685 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.338 12.775 39.300 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.061 13.207 39.913 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.556 12.732 38.301 1.00 0.00 H new ATOM 1256 N GLY A 29 2.264 14.893 36.447 1.00 0.00 N ATOM 1257 CA GLY A 29 3.611 15.295 35.953 1.00 0.00 C ATOM 1258 C GLY A 29 4.513 14.072 35.781 1.00 0.00 C ATOM 1259 O GLY A 29 5.698 14.201 35.547 1.00 0.00 O ATOM 0 H GLY A 29 1.588 14.679 35.714 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.513 15.817 35.001 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.067 15.993 36.655 1.00 0.00 H new ATOM 1263 N GLN A 30 3.975 12.882 35.866 1.00 0.00 N ATOM 1264 CA GLN A 30 4.827 11.671 35.675 1.00 0.00 C ATOM 1265 C GLN A 30 4.893 11.341 34.175 1.00 0.00 C ATOM 1266 O GLN A 30 3.909 11.482 33.475 1.00 0.00 O ATOM 1267 CB GLN A 30 4.222 10.485 36.433 1.00 0.00 C ATOM 1268 CG GLN A 30 2.800 10.206 35.938 1.00 0.00 C ATOM 1269 CD GLN A 30 2.223 9.025 36.719 1.00 0.00 C ATOM 1270 OE1 GLN A 30 1.032 8.786 36.692 1.00 0.00 O ATOM 1271 NE2 GLN A 30 3.024 8.270 37.421 1.00 0.00 N ATOM 0 H GLN A 30 2.990 12.698 36.058 1.00 0.00 H new ATOM 0 HA GLN A 30 5.829 11.864 36.058 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.843 9.600 36.293 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.207 10.698 37.502 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.174 11.088 36.073 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.810 9.983 34.871 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.024 8.470 37.444 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.650 7.480 37.946 1.00 0.00 H new ATOM 1280 N PRO A 31 6.020 10.900 33.669 1.00 0.00 N ATOM 1281 CA PRO A 31 6.152 10.551 32.223 1.00 0.00 C ATOM 1282 C PRO A 31 5.499 9.201 31.882 1.00 0.00 C ATOM 1283 O PRO A 31 5.537 8.263 32.654 1.00 0.00 O ATOM 1284 CB PRO A 31 7.667 10.492 32.012 1.00 0.00 C ATOM 1285 CG PRO A 31 8.213 10.069 33.335 1.00 0.00 C ATOM 1286 CD PRO A 31 7.290 10.688 34.390 1.00 0.00 C ATOM 0 HA PRO A 31 5.648 11.272 31.580 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.931 9.782 31.228 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.064 11.461 31.711 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.230 8.983 33.421 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.239 10.415 33.463 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.158 10.024 35.245 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.693 11.625 34.773 1.00 0.00 H new ATOM 1294 N LEU A 32 4.907 9.108 30.721 1.00 0.00 N ATOM 1295 CA LEU A 32 4.247 7.831 30.295 1.00 0.00 C ATOM 1296 C LEU A 32 4.540 7.581 28.813 1.00 0.00 C ATOM 1297 O LEU A 32 4.648 8.505 28.031 1.00 0.00 O ATOM 1298 CB LEU A 32 2.728 7.946 30.486 1.00 0.00 C ATOM 1299 CG LEU A 32 2.377 8.132 31.967 1.00 0.00 C ATOM 1300 CD1 LEU A 32 0.893 8.490 32.089 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.644 6.838 32.749 1.00 0.00 C ATOM 0 H LEU A 32 4.850 9.866 30.041 1.00 0.00 H new ATOM 0 HA LEU A 32 4.633 7.009 30.898 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.347 8.789 29.909 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.240 7.050 30.102 1.00 0.00 H new ATOM 0 HG LEU A 32 2.995 8.930 32.379 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.636 8.624 33.140 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.696 9.415 31.547 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.289 7.687 31.667 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.389 6.988 33.798 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.034 6.033 32.339 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.698 6.573 32.666 1.00 0.00 H new ATOM 1313 N CYS A 33 4.641 6.341 28.410 1.00 0.00 N ATOM 1314 CA CYS A 33 4.893 6.054 26.972 1.00 0.00 C ATOM 1315 C CYS A 33 3.589 6.267 26.206 1.00 0.00 C ATOM 1316 O CYS A 33 2.591 6.665 26.771 1.00 0.00 O ATOM 1317 CB CYS A 33 5.389 4.615 26.786 1.00 0.00 C ATOM 1318 SG CYS A 33 4.053 3.443 27.104 1.00 0.00 S ATOM 0 H CYS A 33 4.560 5.522 29.012 1.00 0.00 H new ATOM 0 HA CYS A 33 5.665 6.723 26.593 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.765 4.481 25.772 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.221 4.420 27.463 1.00 0.00 H new ATOM 0 HG CYS A 33 4.481 2.500 27.890 1.00 0.00 H new ATOM 1323 N ASN A 34 3.584 6.027 24.927 1.00 0.00 N ATOM 1324 CA ASN A 34 2.335 6.246 24.146 1.00 0.00 C ATOM 1325 C ASN A 34 1.266 5.203 24.503 1.00 0.00 C ATOM 1326 O ASN A 34 0.102 5.527 24.628 1.00 0.00 O ATOM 1327 CB ASN A 34 2.659 6.150 22.653 1.00 0.00 C ATOM 1328 CG ASN A 34 3.153 4.740 22.324 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.691 4.057 23.172 1.00 0.00 O ATOM 1330 ND2 ASN A 34 2.987 4.272 21.117 1.00 0.00 N ATOM 0 H ASN A 34 4.384 5.691 24.390 1.00 0.00 H new ATOM 0 HA ASN A 34 1.942 7.233 24.389 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.773 6.383 22.063 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.420 6.884 22.388 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.309 3.332 20.886 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.535 4.846 20.405 1.00 0.00 H new ATOM 1337 N ALA A 35 1.630 3.955 24.638 1.00 0.00 N ATOM 1338 CA ALA A 35 0.606 2.913 24.950 1.00 0.00 C ATOM 1339 C ALA A 35 -0.060 3.151 26.315 1.00 0.00 C ATOM 1340 O ALA A 35 -1.271 3.133 26.425 1.00 0.00 O ATOM 1341 CB ALA A 35 1.265 1.532 24.932 1.00 0.00 C ATOM 0 H ALA A 35 2.586 3.613 24.546 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.173 2.970 24.189 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.519 0.770 25.159 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.687 1.343 23.945 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.058 1.498 25.679 1.00 0.00 H new ATOM 1347 N CYS A 36 0.701 3.347 27.360 1.00 0.00 N ATOM 1348 CA CYS A 36 0.073 3.553 28.702 1.00 0.00 C ATOM 1349 C CYS A 36 -0.840 4.778 28.675 1.00 0.00 C ATOM 1350 O CYS A 36 -1.939 4.757 29.193 1.00 0.00 O ATOM 1351 CB CYS A 36 1.149 3.786 29.767 1.00 0.00 C ATOM 1352 SG CYS A 36 2.110 2.278 30.038 1.00 0.00 S ATOM 0 H CYS A 36 1.721 3.374 27.345 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.502 2.659 28.943 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.810 4.594 29.454 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.683 4.100 30.701 1.00 0.00 H new ATOM 0 HG CYS A 36 3.349 2.590 30.276 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.389 5.851 28.091 1.00 0.00 N ATOM 1358 CA GLY A 37 -1.224 7.083 28.052 1.00 0.00 C ATOM 1359 C GLY A 37 -2.526 6.823 27.289 1.00 0.00 C ATOM 1360 O GLY A 37 -3.603 7.097 27.777 1.00 0.00 O ATOM 0 H GLY A 37 0.522 5.929 27.639 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.449 7.409 29.067 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.670 7.890 27.573 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.440 6.307 26.094 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.681 6.049 25.308 1.00 0.00 C ATOM 1366 C LEU A 38 -4.515 4.944 25.964 1.00 0.00 C ATOM 1367 O LEU A 38 -5.704 5.092 26.169 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.298 5.604 23.893 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.688 6.774 23.110 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -1.971 6.231 21.868 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.785 7.759 22.672 1.00 0.00 C ATOM 0 H LEU A 38 -1.568 6.054 25.629 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.269 6.966 25.273 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.585 4.782 23.944 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.179 5.230 23.372 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.980 7.298 23.753 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.536 7.059 21.308 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.181 5.545 22.175 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.686 5.702 21.237 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.334 8.583 22.118 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.504 7.243 22.035 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.295 8.150 23.552 1.00 0.00 H new ATOM 1383 N PHE A 39 -3.911 3.828 26.273 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.687 2.713 26.886 1.00 0.00 C ATOM 1385 C PHE A 39 -5.210 3.096 28.272 1.00 0.00 C ATOM 1386 O PHE A 39 -6.368 2.898 28.581 1.00 0.00 O ATOM 1387 CB PHE A 39 -3.812 1.466 27.027 1.00 0.00 C ATOM 1388 CG PHE A 39 -4.656 0.364 27.623 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -4.859 0.311 29.007 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.261 -0.583 26.789 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -5.664 -0.693 29.558 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.068 -1.585 27.340 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.270 -1.640 28.723 1.00 0.00 C ATOM 0 H PHE A 39 -2.919 3.641 26.128 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.530 2.507 26.227 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.422 1.163 26.055 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.953 1.674 27.665 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.395 1.044 29.650 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.105 -0.541 25.721 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.818 -0.737 30.626 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.535 -2.316 26.697 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.894 -2.413 29.147 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.362 3.605 29.123 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.816 3.949 30.500 1.00 0.00 C ATOM 1405 C LEU A 40 -5.936 4.988 30.424 1.00 0.00 C ATOM 1406 O LEU A 40 -6.958 4.860 31.067 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.640 4.529 31.293 1.00 0.00 C ATOM 1408 CG LEU A 40 -4.023 4.689 32.773 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -4.023 3.324 33.480 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -3.015 5.618 33.458 1.00 0.00 C ATOM 0 H LEU A 40 -3.380 3.797 28.926 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.185 3.051 30.995 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.773 3.874 31.203 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.354 5.495 30.878 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.024 5.115 32.835 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.296 3.456 34.527 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.744 2.664 32.997 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.029 2.882 33.418 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.283 5.734 34.508 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.016 5.189 33.384 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.028 6.593 32.970 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.743 6.019 29.655 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.789 7.072 29.543 1.00 0.00 C ATOM 1424 C LYS A 41 -8.065 6.499 28.919 1.00 0.00 C ATOM 1425 O LYS A 41 -9.161 6.769 29.370 1.00 0.00 O ATOM 1426 CB LYS A 41 -6.249 8.214 28.672 1.00 0.00 C ATOM 1427 CG LYS A 41 -7.283 9.358 28.566 1.00 0.00 C ATOM 1428 CD LYS A 41 -8.068 9.259 27.251 1.00 0.00 C ATOM 1429 CE LYS A 41 -9.084 10.399 27.178 1.00 0.00 C ATOM 1430 NZ LYS A 41 -10.106 10.080 26.141 1.00 0.00 N ATOM 0 H LYS A 41 -4.904 6.180 29.097 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.034 7.445 30.538 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.321 8.595 29.098 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.012 7.838 27.677 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.971 9.313 29.410 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.775 10.321 28.620 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.386 9.311 26.403 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.579 8.298 27.191 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.563 10.538 28.147 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.581 11.335 26.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.800 10.853 26.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.641 9.968 25.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.592 9.196 26.393 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.938 5.739 27.865 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.153 5.190 27.198 1.00 0.00 C ATOM 1446 C LEU A 42 -9.836 4.142 28.082 1.00 0.00 C ATOM 1447 O LEU A 42 -11.048 4.078 28.146 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.752 4.538 25.870 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.327 5.609 24.856 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -7.714 4.925 23.627 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.536 6.464 24.431 1.00 0.00 C ATOM 0 H LEU A 42 -7.050 5.475 27.439 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.850 6.009 27.023 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.933 3.838 26.034 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.588 3.963 25.472 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.590 6.264 25.320 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.410 5.681 22.903 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.844 4.343 23.931 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.452 4.264 23.173 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.214 7.217 23.712 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.291 5.825 23.973 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.960 6.956 25.307 1.00 0.00 H new ATOM 1463 N HIS A 43 -9.086 3.301 28.742 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.722 2.246 29.587 1.00 0.00 C ATOM 1465 C HIS A 43 -9.992 2.754 31.007 1.00 0.00 C ATOM 1466 O HIS A 43 -11.025 2.471 31.579 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.803 1.023 29.632 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.872 0.311 28.307 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -8.037 0.631 27.248 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.694 -0.687 27.847 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.373 -0.159 26.213 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -9.378 -0.982 26.524 1.00 0.00 N ATOM 0 H HIS A 43 -8.066 3.297 28.734 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.682 1.976 29.146 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.778 1.329 29.842 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.107 0.353 30.436 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.301 1.337 27.253 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.469 -1.170 28.424 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.889 -0.131 25.248 1.00 0.00 H new ATOM 1480 N GLY A 44 -9.102 3.515 31.585 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.358 4.037 32.958 1.00 0.00 C ATOM 1482 C GLY A 44 -9.183 2.944 34.019 1.00 0.00 C ATOM 1483 O GLY A 44 -9.506 3.148 35.174 1.00 0.00 O ATOM 0 H GLY A 44 -8.214 3.796 31.169 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.676 4.861 33.168 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.370 4.439 33.012 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.676 1.792 33.660 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.485 0.709 34.676 1.00 0.00 C ATOM 1489 C VAL A 45 -7.202 -0.064 34.379 1.00 0.00 C ATOM 1490 O VAL A 45 -6.821 -0.243 33.239 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.666 -0.262 34.647 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -10.908 0.417 35.224 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -9.940 -0.692 33.206 1.00 0.00 C ATOM 0 H VAL A 45 -8.387 1.554 32.711 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.419 1.171 35.661 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.425 -1.139 35.248 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.747 -0.279 35.201 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.713 0.717 36.254 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.151 1.298 34.629 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.782 -1.384 33.187 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.177 0.185 32.603 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.057 -1.184 32.799 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.534 -0.523 35.400 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.276 -1.286 35.185 1.00 0.00 C ATOM 1505 C VAL A 46 -5.548 -2.498 34.289 1.00 0.00 C ATOM 1506 O VAL A 46 -6.595 -3.112 34.349 1.00 0.00 O ATOM 1507 CB VAL A 46 -4.720 -1.749 36.533 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -4.226 -0.533 37.321 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -5.820 -2.454 37.329 1.00 0.00 C ATOM 0 H VAL A 46 -6.806 -0.402 36.375 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.544 -0.642 34.697 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.894 -2.440 36.366 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.829 -0.859 38.282 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.442 -0.028 36.757 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.055 0.155 37.485 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.421 -2.783 38.289 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.647 -1.764 37.497 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.177 -3.318 36.769 1.00 0.00 H new ATOM 1519 N ARG A 47 -4.602 -2.838 33.457 1.00 0.00 N ATOM 1520 CA ARG A 47 -4.759 -4.003 32.536 1.00 0.00 C ATOM 1521 C ARG A 47 -3.385 -4.684 32.423 1.00 0.00 C ATOM 1522 O ARG A 47 -2.384 -4.004 32.317 1.00 0.00 O ATOM 1523 CB ARG A 47 -5.225 -3.470 31.169 1.00 0.00 C ATOM 1524 CG ARG A 47 -5.330 -4.591 30.117 1.00 0.00 C ATOM 1525 CD ARG A 47 -6.665 -5.343 30.247 1.00 0.00 C ATOM 1526 NE ARG A 47 -6.470 -6.757 29.817 1.00 0.00 N ATOM 1527 CZ ARG A 47 -7.377 -7.659 30.084 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -8.468 -7.326 30.717 1.00 0.00 N ATOM 1529 NH2 ARG A 47 -7.192 -8.896 29.712 1.00 0.00 N ATOM 0 H ARG A 47 -3.710 -2.350 33.374 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.492 -4.723 32.899 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.195 -2.986 31.280 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.527 -2.709 30.820 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.243 -4.166 29.117 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.502 -5.289 30.239 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.018 -5.308 31.278 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.428 -4.865 29.633 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.624 -7.022 29.312 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.615 -6.359 31.005 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.174 -8.033 30.924 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.341 -9.157 29.214 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.898 -9.602 29.919 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.314 -5.998 32.460 1.00 0.00 N ATOM 1544 CA PRO A 48 -2.025 -6.740 32.374 1.00 0.00 C ATOM 1545 C PRO A 48 -0.942 -6.010 31.576 1.00 0.00 C ATOM 1546 O PRO A 48 -0.886 -6.077 30.365 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.448 -8.029 31.682 1.00 0.00 C ATOM 1548 CG PRO A 48 -3.797 -8.318 32.262 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.436 -6.954 32.587 1.00 0.00 C ATOM 0 HA PRO A 48 -1.562 -6.877 33.351 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.496 -7.905 30.600 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -1.745 -8.839 31.880 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.412 -8.876 31.555 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.710 -8.929 33.160 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.244 -6.716 31.895 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -4.861 -6.941 33.591 1.00 0.00 H new ATOM 1557 N LEU A 49 -0.074 -5.322 32.265 1.00 0.00 N ATOM 1558 CA LEU A 49 1.027 -4.592 31.577 1.00 0.00 C ATOM 1559 C LEU A 49 1.881 -5.605 30.806 1.00 0.00 C ATOM 1560 O LEU A 49 2.580 -5.263 29.873 1.00 0.00 O ATOM 1561 CB LEU A 49 1.889 -3.868 32.615 1.00 0.00 C ATOM 1562 CG LEU A 49 1.028 -2.896 33.433 1.00 0.00 C ATOM 1563 CD1 LEU A 49 1.889 -2.266 34.531 1.00 0.00 C ATOM 1564 CD2 LEU A 49 0.462 -1.790 32.528 1.00 0.00 C ATOM 0 H LEU A 49 -0.080 -5.234 33.281 1.00 0.00 H new ATOM 0 HA LEU A 49 0.614 -3.857 30.886 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.360 -4.594 33.278 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.691 -3.324 32.117 1.00 0.00 H new ATOM 0 HG LEU A 49 0.197 -3.444 33.878 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.283 -1.574 35.116 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.278 -3.049 35.183 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.720 -1.726 34.077 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.146 -1.109 33.123 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.283 -1.238 32.071 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.153 -2.238 31.747 1.00 0.00 H new ATOM 1576 N SER A 50 1.833 -6.850 31.202 1.00 0.00 N ATOM 1577 CA SER A 50 2.645 -7.894 30.511 1.00 0.00 C ATOM 1578 C SER A 50 2.300 -7.917 29.020 1.00 0.00 C ATOM 1579 O SER A 50 2.929 -8.602 28.239 1.00 0.00 O ATOM 1580 CB SER A 50 2.343 -9.266 31.116 1.00 0.00 C ATOM 1581 OG SER A 50 3.129 -10.251 30.459 1.00 0.00 O ATOM 0 H SER A 50 1.264 -7.190 31.977 1.00 0.00 H new ATOM 0 HA SER A 50 3.702 -7.662 30.637 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.562 -9.262 32.184 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.283 -9.498 31.009 1.00 0.00 H new ATOM 0 HG SER A 50 3.351 -9.943 29.555 1.00 0.00 H new ATOM 1587 N LEU A 51 1.319 -7.160 28.615 1.00 0.00 N ATOM 1588 CA LEU A 51 0.957 -7.129 27.170 1.00 0.00 C ATOM 1589 C LEU A 51 2.012 -6.312 26.432 1.00 0.00 C ATOM 1590 O LEU A 51 2.395 -6.621 25.321 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.404 -6.455 27.002 1.00 0.00 C ATOM 1592 CG LEU A 51 -1.492 -7.277 27.707 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -2.703 -6.383 27.977 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -1.930 -8.452 26.822 1.00 0.00 C ATOM 0 H LEU A 51 0.754 -6.563 29.219 1.00 0.00 H new ATOM 0 HA LEU A 51 0.910 -8.142 26.772 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.373 -5.447 27.417 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.641 -6.357 25.943 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.090 -7.663 28.644 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.479 -6.962 28.478 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.405 -5.549 28.613 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.089 -5.999 27.033 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.702 -9.026 27.335 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.326 -8.071 25.881 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.073 -9.095 26.621 1.00 0.00 H new ATOM 1606 N LYS A 52 2.492 -5.272 27.056 1.00 0.00 N ATOM 1607 CA LYS A 52 3.537 -4.424 26.414 1.00 0.00 C ATOM 1608 C LYS A 52 4.640 -5.324 25.846 1.00 0.00 C ATOM 1609 O LYS A 52 4.743 -6.483 26.193 1.00 0.00 O ATOM 1610 CB LYS A 52 4.127 -3.477 27.470 1.00 0.00 C ATOM 1611 CG LYS A 52 5.128 -2.489 26.827 1.00 0.00 C ATOM 1612 CD LYS A 52 6.580 -2.950 27.064 1.00 0.00 C ATOM 1613 CE LYS A 52 7.081 -2.564 28.471 1.00 0.00 C ATOM 1614 NZ LYS A 52 6.941 -3.731 29.389 1.00 0.00 N ATOM 0 H LYS A 52 2.204 -4.971 27.987 1.00 0.00 H new ATOM 0 HA LYS A 52 3.100 -3.839 25.604 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.324 -2.923 27.956 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.629 -4.057 28.245 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.935 -2.414 25.757 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.984 -1.494 27.247 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.643 -4.031 26.940 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.230 -2.504 26.312 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.123 -2.249 28.423 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.509 -1.718 28.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.602 -3.628 30.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.967 -3.773 29.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.156 -4.607 28.872 1.00 0.00 H new ATOM 1628 N THR A 53 5.479 -4.794 24.996 1.00 0.00 N ATOM 1629 CA THR A 53 6.593 -5.611 24.428 1.00 0.00 C ATOM 1630 C THR A 53 7.778 -4.696 24.118 1.00 0.00 C ATOM 1631 O THR A 53 7.670 -3.488 24.177 1.00 0.00 O ATOM 1632 CB THR A 53 6.137 -6.309 23.146 1.00 0.00 C ATOM 1633 OG1 THR A 53 7.265 -6.887 22.505 1.00 0.00 O ATOM 1634 CG2 THR A 53 5.472 -5.299 22.209 1.00 0.00 C ATOM 0 H THR A 53 5.441 -3.828 24.669 1.00 0.00 H new ATOM 0 HA THR A 53 6.889 -6.368 25.154 1.00 0.00 H new ATOM 0 HB THR A 53 5.415 -7.088 23.393 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.022 -7.766 22.146 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.150 -5.804 21.298 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.607 -4.858 22.704 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.184 -4.514 21.956 1.00 0.00 H new ATOM 1642 N ASP A 54 8.913 -5.258 23.802 1.00 0.00 N ATOM 1643 CA ASP A 54 10.114 -4.419 23.504 1.00 0.00 C ATOM 1644 C ASP A 54 10.229 -4.194 21.994 1.00 0.00 C ATOM 1645 O ASP A 54 11.163 -3.576 21.522 1.00 0.00 O ATOM 1646 CB ASP A 54 11.370 -5.139 24.002 1.00 0.00 C ATOM 1647 CG ASP A 54 11.431 -5.070 25.528 1.00 0.00 C ATOM 1648 OD1 ASP A 54 10.960 -4.088 26.077 1.00 0.00 O ATOM 1649 OD2 ASP A 54 11.948 -6.001 26.126 1.00 0.00 O ATOM 0 H ASP A 54 9.063 -6.265 23.737 1.00 0.00 H new ATOM 0 HA ASP A 54 10.014 -3.457 24.006 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.359 -6.179 23.675 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.260 -4.679 23.571 1.00 0.00 H new ATOM 1654 N VAL A 55 9.282 -4.685 21.238 1.00 0.00 N ATOM 1655 CA VAL A 55 9.309 -4.508 19.754 1.00 0.00 C ATOM 1656 C VAL A 55 7.973 -3.908 19.309 1.00 0.00 C ATOM 1657 O VAL A 55 6.945 -4.174 19.898 1.00 0.00 O ATOM 1658 CB VAL A 55 9.512 -5.873 19.088 1.00 0.00 C ATOM 1659 CG1 VAL A 55 8.257 -6.733 19.264 1.00 0.00 C ATOM 1660 CG2 VAL A 55 9.790 -5.680 17.596 1.00 0.00 C ATOM 0 H VAL A 55 8.480 -5.208 21.590 1.00 0.00 H new ATOM 0 HA VAL A 55 10.124 -3.844 19.466 1.00 0.00 H new ATOM 0 HB VAL A 55 10.359 -6.374 19.556 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.410 -7.701 18.788 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.061 -6.878 20.326 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.405 -6.232 18.803 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.934 -6.652 17.124 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.945 -5.173 17.131 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.690 -5.078 17.468 1.00 0.00 H new ATOM 1670 N ILE A 56 7.982 -3.089 18.288 1.00 0.00 N ATOM 1671 CA ILE A 56 6.715 -2.451 17.813 1.00 0.00 C ATOM 1672 C ILE A 56 6.575 -2.644 16.302 1.00 0.00 C ATOM 1673 O ILE A 56 7.533 -2.554 15.560 1.00 0.00 O ATOM 1674 CB ILE A 56 6.751 -0.957 18.132 1.00 0.00 C ATOM 1675 CG1 ILE A 56 6.890 -0.765 19.645 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.449 -0.309 17.654 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.148 0.711 19.957 1.00 0.00 C ATOM 0 H ILE A 56 8.816 -2.833 17.760 1.00 0.00 H new ATOM 0 HA ILE A 56 5.866 -2.914 18.316 1.00 0.00 H new ATOM 0 HB ILE A 56 7.598 -0.493 17.627 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.983 -1.100 20.148 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.709 -1.375 20.025 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.469 0.757 17.879 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.346 -0.451 16.578 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.604 -0.771 18.164 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.246 0.843 21.034 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.067 1.031 19.467 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.314 1.311 19.592 1.00 0.00 H new ATOM 1689 N LYS A 57 5.383 -2.916 15.845 1.00 0.00 N ATOM 1690 CA LYS A 57 5.163 -3.124 14.385 1.00 0.00 C ATOM 1691 C LYS A 57 5.034 -1.769 13.685 1.00 0.00 C ATOM 1692 O LYS A 57 4.331 -0.887 14.137 1.00 0.00 O ATOM 1693 CB LYS A 57 3.877 -3.931 14.182 1.00 0.00 C ATOM 1694 CG LYS A 57 3.726 -4.300 12.703 1.00 0.00 C ATOM 1695 CD LYS A 57 2.388 -5.017 12.476 1.00 0.00 C ATOM 1696 CE LYS A 57 2.476 -6.473 12.948 1.00 0.00 C ATOM 1697 NZ LYS A 57 1.267 -7.214 12.486 1.00 0.00 N ATOM 0 H LYS A 57 4.547 -3.004 16.423 1.00 0.00 H new ATOM 0 HA LYS A 57 6.008 -3.666 13.961 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.903 -4.835 14.791 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.016 -3.350 14.511 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.775 -3.401 12.088 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.550 -4.943 12.394 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.595 -4.500 13.016 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.126 -4.986 11.418 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.377 -6.942 12.553 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.547 -6.511 14.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.323 -8.202 12.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.415 -6.770 12.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.219 -7.187 11.447 1.00 0.00 H new ATOM 1711 N LYS A 58 5.710 -1.601 12.581 1.00 0.00 N ATOM 1712 CA LYS A 58 5.634 -0.310 11.839 1.00 0.00 C ATOM 1713 C LYS A 58 4.393 -0.314 10.947 1.00 0.00 C ATOM 1714 O LYS A 58 4.196 -1.211 10.151 1.00 0.00 O ATOM 1715 CB LYS A 58 6.890 -0.166 10.977 1.00 0.00 C ATOM 1716 CG LYS A 58 8.096 0.052 11.890 1.00 0.00 C ATOM 1717 CD LYS A 58 9.370 0.172 11.054 1.00 0.00 C ATOM 1718 CE LYS A 58 10.560 0.389 11.990 1.00 0.00 C ATOM 1719 NZ LYS A 58 10.466 1.747 12.597 1.00 0.00 N ATOM 0 H LYS A 58 6.315 -2.306 12.159 1.00 0.00 H new ATOM 0 HA LYS A 58 5.570 0.524 12.538 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.034 -1.059 10.369 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.781 0.673 10.290 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.954 0.955 12.484 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.187 -0.779 12.590 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.517 -0.730 10.460 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.285 1.003 10.354 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.567 -0.372 12.771 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.495 0.288 11.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.393 2.021 12.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.175 2.432 11.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.764 1.736 13.364 1.00 0.00 H new ATOM 1733 N ARG A 59 3.540 0.665 11.091 1.00 0.00 N ATOM 1734 CA ARG A 59 2.290 0.708 10.274 1.00 0.00 C ATOM 1735 C ARG A 59 2.487 1.644 9.082 1.00 0.00 C ATOM 1736 O ARG A 59 3.556 2.181 8.868 1.00 0.00 O ATOM 1737 CB ARG A 59 1.133 1.218 11.137 1.00 0.00 C ATOM 1738 CG ARG A 59 1.155 0.525 12.504 1.00 0.00 C ATOM 1739 CD ARG A 59 0.989 -0.989 12.341 1.00 0.00 C ATOM 1740 NE ARG A 59 -0.127 -1.298 11.390 1.00 0.00 N ATOM 1741 CZ ARG A 59 -1.344 -0.866 11.587 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -1.660 -0.247 12.691 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -2.266 -1.101 10.693 1.00 0.00 N ATOM 0 H ARG A 59 3.655 1.441 11.743 1.00 0.00 H new ATOM 0 HA ARG A 59 2.061 -0.294 9.912 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.213 2.297 11.266 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.183 1.026 10.638 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.095 0.741 13.013 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.355 0.919 13.131 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.918 -1.425 11.974 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.785 -1.444 13.310 1.00 0.00 H new ATOM 0 HE ARG A 59 0.070 -1.863 10.564 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.954 -0.096 13.411 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.613 0.086 12.834 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.034 -1.620 9.846 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.218 -0.766 10.842 1.00 0.00 H new ATOM 1757 N ASN A 60 1.478 1.790 8.268 1.00 0.00 N ATOM 1758 CA ASN A 60 1.616 2.626 7.043 1.00 0.00 C ATOM 1759 C ASN A 60 1.727 4.112 7.388 1.00 0.00 C ATOM 1760 O ASN A 60 1.405 4.554 8.474 1.00 0.00 O ATOM 1761 CB ASN A 60 0.395 2.409 6.150 1.00 0.00 C ATOM 1762 CG ASN A 60 0.442 0.995 5.569 1.00 0.00 C ATOM 1763 OD1 ASN A 60 1.490 0.383 5.512 1.00 0.00 O ATOM 1764 ND2 ASN A 60 -0.660 0.446 5.139 1.00 0.00 N ATOM 0 H ASN A 60 0.560 1.364 8.400 1.00 0.00 H new ATOM 0 HA ASN A 60 2.528 2.327 6.527 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.520 2.549 6.725 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.382 3.145 5.346 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.643 -0.498 4.754 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.539 0.961 5.188 1.00 0.00 H new