USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 416 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 161:sc= -0.397 USER MOD Set 1.2: A 15 CYS SG : rot -62:sc= -4.39! USER MOD Set 1.3: A 20 THR OG1 : rot -121:sc= -0.284 USER MOD Set 1.4: A 33 CYS SG : rot -134:sc= 1.37 USER MOD Set 1.5: A 34 ASN : amide:sc= -10.3! K(o=-14!,f=-6.7) USER MOD Set 1.6: A 36 CYS SG : rot 82:sc= 0.151 USER MOD Set 2.1: A 17 THR OG1 : rot 180:sc= 0.996 USER MOD Set 2.2: A 52 LYS NZ :NH3+ -122:sc= 1.58 (180deg=-0.117) USER MOD Single : A 10 THR OG1 : rot 32:sc= 0.0606 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00222 USER MOD Single : A 14 ASN : amide:sc= -5.53! C(o=-5.5!,f=-4.5!) USER MOD Single : A 18 GLN : amide:sc= -1.96! C(o=-2!,f=-5.1!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.92 K(o=-1.9,f=-5.6!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -157:sc= -0.114 (180deg=-0.842) USER MOD Single : A 43 HIS : no HE2:sc= -4.98! C(o=-5!,f=-4.9!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.694 USER MOD Single : A 57 LYS NZ :NH3+ -156:sc= -0.0985 (180deg=-0.648) USER MOD Single : A 58 LYS NZ :NH3+ -132:sc= -0.0473 (180deg=-0.486) USER MOD Single : A 60 ASN : amide:sc= -0.454 K(o=-0.45,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 955 N THR A 10 12.431 11.182 32.217 1.00 0.00 N ATOM 956 CA THR A 10 11.046 10.912 31.730 1.00 0.00 C ATOM 957 C THR A 10 10.765 9.406 31.767 1.00 0.00 C ATOM 958 O THR A 10 11.424 8.625 31.109 1.00 0.00 O ATOM 959 CB THR A 10 10.908 11.425 30.293 1.00 0.00 C ATOM 960 OG1 THR A 10 11.083 12.835 30.279 1.00 0.00 O ATOM 961 CG2 THR A 10 9.522 11.077 29.751 1.00 0.00 C ATOM 0 HA THR A 10 10.330 11.423 32.373 1.00 0.00 H new ATOM 0 HB THR A 10 11.666 10.955 29.666 1.00 0.00 H new ATOM 0 HG1 THR A 10 11.709 13.094 30.988 1.00 0.00 H new ATOM 0 HG21 THR A 10 9.428 11.444 28.729 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.388 9.995 29.762 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.760 11.543 30.375 1.00 0.00 H new ATOM 969 N THR A 11 9.785 8.995 32.531 1.00 0.00 N ATOM 970 CA THR A 11 9.444 7.541 32.618 1.00 0.00 C ATOM 971 C THR A 11 7.932 7.369 32.808 1.00 0.00 C ATOM 972 O THR A 11 7.276 8.205 33.396 1.00 0.00 O ATOM 973 CB THR A 11 10.180 6.919 33.807 1.00 0.00 C ATOM 974 OG1 THR A 11 11.580 6.974 33.573 1.00 0.00 O ATOM 975 CG2 THR A 11 9.744 5.463 33.975 1.00 0.00 C ATOM 0 H THR A 11 9.202 9.607 33.102 1.00 0.00 H new ATOM 0 HA THR A 11 9.747 7.045 31.696 1.00 0.00 H new ATOM 0 HB THR A 11 9.940 7.472 34.715 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.055 6.578 34.333 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.269 5.021 34.822 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.669 5.423 34.153 1.00 0.00 H new ATOM 0 HG23 THR A 11 9.982 4.905 33.070 1.00 0.00 H new ATOM 983 N CYS A 12 7.374 6.288 32.327 1.00 0.00 N ATOM 984 CA CYS A 12 5.906 6.068 32.496 1.00 0.00 C ATOM 985 C CYS A 12 5.623 5.633 33.937 1.00 0.00 C ATOM 986 O CYS A 12 5.956 4.535 34.341 1.00 0.00 O ATOM 987 CB CYS A 12 5.435 4.982 31.527 1.00 0.00 C ATOM 988 SG CYS A 12 3.646 5.121 31.301 1.00 0.00 S ATOM 0 H CYS A 12 7.869 5.550 31.826 1.00 0.00 H new ATOM 0 HA CYS A 12 5.371 6.993 32.284 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.944 5.087 30.569 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.689 3.996 31.916 1.00 0.00 H new ATOM 0 HG CYS A 12 3.297 4.506 30.210 1.00 0.00 H new ATOM 993 N THR A 13 4.980 6.475 34.699 1.00 0.00 N ATOM 994 CA THR A 13 4.661 6.120 36.111 1.00 0.00 C ATOM 995 C THR A 13 3.621 5.003 36.146 1.00 0.00 C ATOM 996 O THR A 13 3.326 4.457 37.189 1.00 0.00 O ATOM 997 CB THR A 13 4.108 7.346 36.841 1.00 0.00 C ATOM 998 OG1 THR A 13 3.066 7.927 36.073 1.00 0.00 O ATOM 999 CG2 THR A 13 5.224 8.370 37.050 1.00 0.00 C ATOM 0 H THR A 13 4.661 7.397 34.403 1.00 0.00 H new ATOM 0 HA THR A 13 5.573 5.782 36.603 1.00 0.00 H new ATOM 0 HB THR A 13 3.715 7.040 37.811 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.712 8.711 36.542 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.826 9.241 37.570 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.020 7.924 37.646 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.623 8.676 36.083 1.00 0.00 H new ATOM 1007 N ASN A 14 3.044 4.670 35.021 1.00 0.00 N ATOM 1008 CA ASN A 14 2.006 3.599 35.008 1.00 0.00 C ATOM 1009 C ASN A 14 2.624 2.251 34.628 1.00 0.00 C ATOM 1010 O ASN A 14 2.261 1.239 35.193 1.00 0.00 O ATOM 1011 CB ASN A 14 0.916 3.960 33.989 1.00 0.00 C ATOM 1012 CG ASN A 14 -0.042 4.990 34.593 1.00 0.00 C ATOM 1013 OD1 ASN A 14 0.042 5.301 35.764 1.00 0.00 O ATOM 1014 ND2 ASN A 14 -0.966 5.523 33.841 1.00 0.00 N ATOM 0 H ASN A 14 3.246 5.092 34.115 1.00 0.00 H new ATOM 0 HA ASN A 14 1.575 3.519 36.006 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.371 4.361 33.083 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.366 3.065 33.700 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.618 6.201 34.237 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.037 5.262 32.858 1.00 0.00 H new ATOM 1021 N CYS A 15 3.514 2.204 33.661 1.00 0.00 N ATOM 1022 CA CYS A 15 4.093 0.881 33.248 1.00 0.00 C ATOM 1023 C CYS A 15 5.625 0.918 33.259 1.00 0.00 C ATOM 1024 O CYS A 15 6.270 -0.047 32.900 1.00 0.00 O ATOM 1025 CB CYS A 15 3.575 0.514 31.851 1.00 0.00 C ATOM 1026 SG CYS A 15 4.366 1.536 30.585 1.00 0.00 S ATOM 0 H CYS A 15 3.861 3.013 33.146 1.00 0.00 H new ATOM 0 HA CYS A 15 3.778 0.122 33.964 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.772 -0.539 31.650 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.494 0.650 31.812 1.00 0.00 H new ATOM 0 HG CYS A 15 4.068 2.785 30.787 1.00 0.00 H new ATOM 1031 N PHE A 16 6.213 2.001 33.691 1.00 0.00 N ATOM 1032 CA PHE A 16 7.704 2.088 33.766 1.00 0.00 C ATOM 1033 C PHE A 16 8.367 1.837 32.406 1.00 0.00 C ATOM 1034 O PHE A 16 9.578 1.817 32.307 1.00 0.00 O ATOM 1035 CB PHE A 16 8.229 1.076 34.790 1.00 0.00 C ATOM 1036 CG PHE A 16 7.659 1.399 36.151 1.00 0.00 C ATOM 1037 CD1 PHE A 16 8.238 2.408 36.929 1.00 0.00 C ATOM 1038 CD2 PHE A 16 6.551 0.693 36.634 1.00 0.00 C ATOM 1039 CE1 PHE A 16 7.711 2.712 38.189 1.00 0.00 C ATOM 1040 CE2 PHE A 16 6.023 0.997 37.895 1.00 0.00 C ATOM 1041 CZ PHE A 16 6.603 2.006 38.673 1.00 0.00 C ATOM 0 H PHE A 16 5.720 2.839 33.999 1.00 0.00 H new ATOM 0 HA PHE A 16 7.959 3.102 34.075 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.947 0.065 34.496 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.318 1.107 34.823 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.093 2.953 36.556 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.103 -0.086 36.034 1.00 0.00 H new ATOM 0 HE1 PHE A 16 8.159 3.491 38.788 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.168 0.453 38.267 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.196 2.240 39.646 1.00 0.00 H new ATOM 1051 N THR A 17 7.614 1.633 31.360 1.00 0.00 N ATOM 1052 CA THR A 17 8.261 1.375 30.039 1.00 0.00 C ATOM 1053 C THR A 17 9.011 2.630 29.578 1.00 0.00 C ATOM 1054 O THR A 17 8.509 3.733 29.677 1.00 0.00 O ATOM 1055 CB THR A 17 7.186 0.994 29.010 1.00 0.00 C ATOM 1056 OG1 THR A 17 7.802 0.352 27.904 1.00 0.00 O ATOM 1057 CG2 THR A 17 6.445 2.245 28.522 1.00 0.00 C ATOM 0 H THR A 17 6.594 1.633 31.359 1.00 0.00 H new ATOM 0 HA THR A 17 8.972 0.554 30.134 1.00 0.00 H new ATOM 0 HB THR A 17 6.470 0.321 29.481 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.118 0.106 27.246 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.687 1.958 27.793 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.967 2.738 29.368 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.154 2.930 28.057 1.00 0.00 H new ATOM 1065 N GLN A 18 10.212 2.470 29.079 1.00 0.00 N ATOM 1066 CA GLN A 18 11.010 3.646 28.612 1.00 0.00 C ATOM 1067 C GLN A 18 10.989 3.716 27.083 1.00 0.00 C ATOM 1068 O GLN A 18 11.415 4.690 26.493 1.00 0.00 O ATOM 1069 CB GLN A 18 12.456 3.502 29.096 1.00 0.00 C ATOM 1070 CG GLN A 18 13.000 2.119 28.718 1.00 0.00 C ATOM 1071 CD GLN A 18 12.480 1.074 29.707 1.00 0.00 C ATOM 1072 OE1 GLN A 18 11.669 0.240 29.358 1.00 0.00 O ATOM 1073 NE2 GLN A 18 12.912 1.088 30.938 1.00 0.00 N ATOM 0 H GLN A 18 10.677 1.568 28.974 1.00 0.00 H new ATOM 0 HA GLN A 18 10.575 4.560 29.018 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.076 4.280 28.651 1.00 0.00 H new ATOM 0 HB3 GLN A 18 12.502 3.637 30.177 1.00 0.00 H new ATOM 0 HG2 GLN A 18 12.692 1.860 27.705 1.00 0.00 H new ATOM 0 HG3 GLN A 18 14.090 2.131 28.726 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.593 1.788 31.232 1.00 0.00 H new ATOM 0 HE22 GLN A 18 12.569 0.399 31.607 1.00 0.00 H new ATOM 1082 N THR A 19 10.494 2.694 26.435 1.00 0.00 N ATOM 1083 CA THR A 19 10.436 2.695 24.942 1.00 0.00 C ATOM 1084 C THR A 19 9.014 3.037 24.506 1.00 0.00 C ATOM 1085 O THR A 19 8.071 2.354 24.852 1.00 0.00 O ATOM 1086 CB THR A 19 10.805 1.305 24.418 1.00 0.00 C ATOM 1087 OG1 THR A 19 12.145 1.004 24.779 1.00 0.00 O ATOM 1088 CG2 THR A 19 10.664 1.276 22.894 1.00 0.00 C ATOM 0 H THR A 19 10.125 1.853 26.879 1.00 0.00 H new ATOM 0 HA THR A 19 11.136 3.430 24.544 1.00 0.00 H new ATOM 0 HB THR A 19 10.136 0.563 24.855 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.382 0.113 24.445 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.927 0.285 22.523 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.634 1.504 22.619 1.00 0.00 H new ATOM 0 HG23 THR A 19 11.330 2.017 22.453 1.00 0.00 H new ATOM 1096 N THR A 20 8.844 4.087 23.751 1.00 0.00 N ATOM 1097 CA THR A 20 7.472 4.455 23.306 1.00 0.00 C ATOM 1098 C THR A 20 7.552 5.440 22.128 1.00 0.00 C ATOM 1099 O THR A 20 8.436 6.274 22.083 1.00 0.00 O ATOM 1100 CB THR A 20 6.729 5.109 24.475 1.00 0.00 C ATOM 1101 OG1 THR A 20 5.447 5.537 24.041 1.00 0.00 O ATOM 1102 CG2 THR A 20 7.525 6.312 24.990 1.00 0.00 C ATOM 0 H THR A 20 9.590 4.702 23.425 1.00 0.00 H new ATOM 0 HA THR A 20 6.939 3.561 22.983 1.00 0.00 H new ATOM 0 HB THR A 20 6.617 4.383 25.281 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.363 6.504 24.173 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.991 6.773 25.821 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.507 5.981 25.328 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.644 7.040 24.187 1.00 0.00 H new ATOM 1110 N PRO A 21 6.641 5.363 21.185 1.00 0.00 N ATOM 1111 CA PRO A 21 6.630 6.285 20.008 1.00 0.00 C ATOM 1112 C PRO A 21 6.064 7.670 20.354 1.00 0.00 C ATOM 1113 O PRO A 21 6.308 8.638 19.662 1.00 0.00 O ATOM 1114 CB PRO A 21 5.711 5.567 19.017 1.00 0.00 C ATOM 1115 CG PRO A 21 4.735 4.842 19.883 1.00 0.00 C ATOM 1116 CD PRO A 21 5.527 4.398 21.115 1.00 0.00 C ATOM 0 HA PRO A 21 7.633 6.477 19.627 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.209 6.273 18.356 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.269 4.878 18.383 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.904 5.489 20.164 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.309 3.985 19.361 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.915 4.428 22.016 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.890 3.375 21.010 1.00 0.00 H new ATOM 1124 N LEU A 22 5.287 7.769 21.402 1.00 0.00 N ATOM 1125 CA LEU A 22 4.688 9.089 21.762 1.00 0.00 C ATOM 1126 C LEU A 22 4.401 9.146 23.268 1.00 0.00 C ATOM 1127 O LEU A 22 3.673 8.342 23.814 1.00 0.00 O ATOM 1128 CB LEU A 22 3.399 9.266 20.947 1.00 0.00 C ATOM 1129 CG LEU A 22 2.529 10.409 21.489 1.00 0.00 C ATOM 1130 CD1 LEU A 22 3.312 11.721 21.535 1.00 0.00 C ATOM 1131 CD2 LEU A 22 1.333 10.597 20.555 1.00 0.00 C ATOM 0 H LEU A 22 5.042 6.997 22.022 1.00 0.00 H new ATOM 0 HA LEU A 22 5.380 9.898 21.530 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.653 9.466 19.906 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.829 8.337 20.964 1.00 0.00 H new ATOM 0 HG LEU A 22 2.208 10.153 22.499 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.672 12.513 21.923 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.179 11.605 22.185 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.644 11.982 20.530 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.705 11.406 20.927 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.688 10.844 19.554 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.753 9.675 20.517 1.00 0.00 H new ATOM 1143 N TRP A 23 4.992 10.104 23.929 1.00 0.00 N ATOM 1144 CA TRP A 23 4.798 10.253 25.401 1.00 0.00 C ATOM 1145 C TRP A 23 3.494 11.013 25.677 1.00 0.00 C ATOM 1146 O TRP A 23 3.260 12.076 25.138 1.00 0.00 O ATOM 1147 CB TRP A 23 5.975 11.038 25.995 1.00 0.00 C ATOM 1148 CG TRP A 23 7.186 10.163 26.101 1.00 0.00 C ATOM 1149 CD1 TRP A 23 8.244 10.188 25.256 1.00 0.00 C ATOM 1150 CD2 TRP A 23 7.487 9.145 27.100 1.00 0.00 C ATOM 1151 NE1 TRP A 23 9.174 9.255 25.676 1.00 0.00 N ATOM 1152 CE2 TRP A 23 8.753 8.584 26.804 1.00 0.00 C ATOM 1153 CE3 TRP A 23 6.793 8.659 28.221 1.00 0.00 C ATOM 1154 CZ2 TRP A 23 9.309 7.575 27.594 1.00 0.00 C ATOM 1155 CZ3 TRP A 23 7.349 7.644 29.017 1.00 0.00 C ATOM 1156 CH2 TRP A 23 8.603 7.104 28.704 1.00 0.00 C ATOM 0 H TRP A 23 5.609 10.798 23.507 1.00 0.00 H new ATOM 0 HA TRP A 23 4.747 9.265 25.858 1.00 0.00 H new ATOM 0 HB2 TRP A 23 6.197 11.902 25.369 1.00 0.00 H new ATOM 0 HB3 TRP A 23 5.706 11.419 26.980 1.00 0.00 H new ATOM 0 HD1 TRP A 23 8.345 10.832 24.395 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.064 9.084 25.208 1.00 0.00 H new ATOM 0 HE3 TRP A 23 5.826 9.069 28.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 10.277 7.162 27.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 6.806 7.278 29.876 1.00 0.00 H new ATOM 0 HH2 TRP A 23 9.024 6.324 29.321 1.00 0.00 H new ATOM 1167 N ARG A 24 2.642 10.469 26.513 1.00 0.00 N ATOM 1168 CA ARG A 24 1.344 11.138 26.837 1.00 0.00 C ATOM 1169 C ARG A 24 1.428 11.723 28.248 1.00 0.00 C ATOM 1170 O ARG A 24 2.421 11.569 28.930 1.00 0.00 O ATOM 1171 CB ARG A 24 0.215 10.100 26.801 1.00 0.00 C ATOM 1172 CG ARG A 24 0.082 9.476 25.407 1.00 0.00 C ATOM 1173 CD ARG A 24 -0.715 10.391 24.470 1.00 0.00 C ATOM 1174 NE ARG A 24 -0.685 9.826 23.091 1.00 0.00 N ATOM 1175 CZ ARG A 24 -1.550 10.228 22.202 1.00 0.00 C ATOM 1176 NH1 ARG A 24 -2.490 11.067 22.541 1.00 0.00 N ATOM 1177 NH2 ARG A 24 -1.484 9.770 20.981 1.00 0.00 N ATOM 0 H ARG A 24 2.793 9.580 26.989 1.00 0.00 H new ATOM 0 HA ARG A 24 1.145 11.927 26.111 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.412 9.319 27.535 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.726 10.572 27.083 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.072 9.296 24.989 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.413 8.508 25.484 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.744 10.479 24.817 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.290 11.395 24.474 1.00 0.00 H new ATOM 0 HE ARG A 24 0.013 9.125 22.843 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.548 11.408 23.501 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.167 11.382 21.846 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.758 9.101 20.726 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.159 10.082 20.282 1.00 0.00 H new ATOM 1191 N ARG A 25 0.396 12.400 28.690 1.00 0.00 N ATOM 1192 CA ARG A 25 0.414 13.004 30.059 1.00 0.00 C ATOM 1193 C ARG A 25 -0.923 12.753 30.763 1.00 0.00 C ATOM 1194 O ARG A 25 -1.967 12.696 30.143 1.00 0.00 O ATOM 1195 CB ARG A 25 0.642 14.512 29.941 1.00 0.00 C ATOM 1196 CG ARG A 25 2.077 14.781 29.480 1.00 0.00 C ATOM 1197 CD ARG A 25 2.315 16.292 29.401 1.00 0.00 C ATOM 1198 NE ARG A 25 1.518 16.865 28.279 1.00 0.00 N ATOM 1199 CZ ARG A 25 1.346 18.155 28.192 1.00 0.00 C ATOM 1200 NH1 ARG A 25 1.893 18.948 29.074 1.00 0.00 N ATOM 1201 NH2 ARG A 25 0.634 18.656 27.219 1.00 0.00 N ATOM 0 H ARG A 25 -0.460 12.561 28.160 1.00 0.00 H new ATOM 0 HA ARG A 25 1.216 12.548 30.639 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.065 14.942 29.232 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.462 14.993 30.902 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.784 14.327 30.174 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.249 14.324 28.505 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.031 16.765 30.341 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.375 16.496 29.249 1.00 0.00 H new ATOM 0 HE ARG A 25 1.107 16.248 27.579 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.455 18.559 29.831 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.758 19.957 29.006 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.212 18.038 26.526 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.500 19.665 27.152 1.00 0.00 H new ATOM 1215 N ASN A 26 -0.891 12.613 32.063 1.00 0.00 N ATOM 1216 CA ASN A 26 -2.143 12.378 32.840 1.00 0.00 C ATOM 1217 C ASN A 26 -2.733 13.739 33.231 1.00 0.00 C ATOM 1218 O ASN A 26 -1.993 14.646 33.552 1.00 0.00 O ATOM 1219 CB ASN A 26 -1.784 11.615 34.120 1.00 0.00 C ATOM 1220 CG ASN A 26 -3.052 11.137 34.830 1.00 0.00 C ATOM 1221 OD1 ASN A 26 -3.443 11.694 35.837 1.00 0.00 O ATOM 1222 ND2 ASN A 26 -3.720 10.126 34.344 1.00 0.00 N ATOM 0 H ASN A 26 -0.041 12.652 32.625 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.860 11.809 32.248 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.152 10.761 33.877 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.208 12.258 34.785 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.569 9.805 34.809 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.393 9.658 33.499 1.00 0.00 H new ATOM 1229 N PRO A 27 -4.034 13.914 33.232 1.00 0.00 N ATOM 1230 CA PRO A 27 -4.627 15.222 33.624 1.00 0.00 C ATOM 1231 C PRO A 27 -4.096 15.677 34.992 1.00 0.00 C ATOM 1232 O PRO A 27 -4.383 16.765 35.449 1.00 0.00 O ATOM 1233 CB PRO A 27 -6.148 14.970 33.652 1.00 0.00 C ATOM 1234 CG PRO A 27 -6.315 13.482 33.591 1.00 0.00 C ATOM 1235 CD PRO A 27 -5.080 12.938 32.874 1.00 0.00 C ATOM 0 HA PRO A 27 -4.367 16.023 32.931 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.595 15.377 34.559 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.640 15.454 32.809 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.400 13.059 34.592 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.225 13.215 33.054 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.827 11.933 33.211 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.230 12.884 31.796 1.00 0.00 H new ATOM 1243 N GLU A 28 -3.313 14.850 35.640 1.00 0.00 N ATOM 1244 CA GLU A 28 -2.745 15.221 36.972 1.00 0.00 C ATOM 1245 C GLU A 28 -1.314 15.736 36.784 1.00 0.00 C ATOM 1246 O GLU A 28 -0.633 16.072 37.732 1.00 0.00 O ATOM 1247 CB GLU A 28 -2.726 13.991 37.883 1.00 0.00 C ATOM 1248 CG GLU A 28 -4.161 13.560 38.200 1.00 0.00 C ATOM 1249 CD GLU A 28 -4.822 14.596 39.112 1.00 0.00 C ATOM 1250 OE1 GLU A 28 -4.120 15.472 39.589 1.00 0.00 O ATOM 1251 OE2 GLU A 28 -6.023 14.500 39.311 1.00 0.00 O ATOM 0 H GLU A 28 -3.041 13.927 35.300 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.360 15.998 37.426 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.190 13.175 37.397 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.192 14.218 38.806 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.732 13.457 37.277 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.159 12.584 38.685 1.00 0.00 H new ATOM 1258 N GLY A 29 -0.859 15.811 35.560 1.00 0.00 N ATOM 1259 CA GLY A 29 0.521 16.316 35.290 1.00 0.00 C ATOM 1260 C GLY A 29 1.557 15.190 35.388 1.00 0.00 C ATOM 1261 O GLY A 29 2.746 15.437 35.357 1.00 0.00 O ATOM 0 H GLY A 29 -1.388 15.542 34.730 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.559 16.762 34.296 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.768 17.103 36.002 1.00 0.00 H new ATOM 1265 N GLN A 30 1.133 13.957 35.487 1.00 0.00 N ATOM 1266 CA GLN A 30 2.115 12.833 35.564 1.00 0.00 C ATOM 1267 C GLN A 30 2.445 12.361 34.141 1.00 0.00 C ATOM 1268 O GLN A 30 1.625 12.479 33.251 1.00 0.00 O ATOM 1269 CB GLN A 30 1.504 11.682 36.365 1.00 0.00 C ATOM 1270 CG GLN A 30 1.223 12.151 37.795 1.00 0.00 C ATOM 1271 CD GLN A 30 0.963 10.940 38.691 1.00 0.00 C ATOM 1272 OE1 GLN A 30 1.814 10.545 39.463 1.00 0.00 O ATOM 1273 NE2 GLN A 30 -0.188 10.329 38.621 1.00 0.00 N ATOM 0 H GLN A 30 0.152 13.679 35.518 1.00 0.00 H new ATOM 0 HA GLN A 30 3.028 13.167 36.057 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.581 11.345 35.893 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.185 10.831 36.377 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.071 12.721 38.174 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.360 12.817 37.807 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.903 10.660 37.973 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.373 9.520 39.214 1.00 0.00 H new ATOM 1282 N PRO A 31 3.626 11.836 33.904 1.00 0.00 N ATOM 1283 CA PRO A 31 4.025 11.359 32.546 1.00 0.00 C ATOM 1284 C PRO A 31 3.527 9.938 32.240 1.00 0.00 C ATOM 1285 O PRO A 31 3.679 9.036 33.038 1.00 0.00 O ATOM 1286 CB PRO A 31 5.552 11.385 32.625 1.00 0.00 C ATOM 1287 CG PRO A 31 5.844 11.012 34.041 1.00 0.00 C ATOM 1288 CD PRO A 31 4.718 11.634 34.880 1.00 0.00 C ATOM 0 HA PRO A 31 3.600 11.973 31.752 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.000 10.680 31.925 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.948 12.371 32.382 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.869 9.929 34.163 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.818 11.390 34.352 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.412 10.974 35.692 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.029 12.575 35.333 1.00 0.00 H new ATOM 1296 N LEU A 32 2.962 9.736 31.074 1.00 0.00 N ATOM 1297 CA LEU A 32 2.471 8.376 30.675 1.00 0.00 C ATOM 1298 C LEU A 32 3.052 8.041 29.304 1.00 0.00 C ATOM 1299 O LEU A 32 3.425 8.924 28.558 1.00 0.00 O ATOM 1300 CB LEU A 32 0.943 8.366 30.555 1.00 0.00 C ATOM 1301 CG LEU A 32 0.280 8.728 31.884 1.00 0.00 C ATOM 1302 CD1 LEU A 32 -1.239 8.713 31.696 1.00 0.00 C ATOM 1303 CD2 LEU A 32 0.670 7.715 32.970 1.00 0.00 C ATOM 0 H LEU A 32 2.818 10.463 30.373 1.00 0.00 H new ATOM 0 HA LEU A 32 2.778 7.653 31.430 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.632 9.073 29.786 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.607 7.379 30.235 1.00 0.00 H new ATOM 0 HG LEU A 32 0.613 9.718 32.195 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.725 8.970 32.637 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.518 9.440 30.933 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.557 7.719 31.383 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.190 7.987 33.910 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.345 6.718 32.671 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.752 7.720 33.100 1.00 0.00 H new ATOM 1315 N CYS A 33 3.096 6.788 28.929 1.00 0.00 N ATOM 1316 CA CYS A 33 3.608 6.444 27.573 1.00 0.00 C ATOM 1317 C CYS A 33 2.425 6.488 26.605 1.00 0.00 C ATOM 1318 O CYS A 33 1.364 6.975 26.942 1.00 0.00 O ATOM 1319 CB CYS A 33 4.250 5.050 27.583 1.00 0.00 C ATOM 1320 SG CYS A 33 2.994 3.779 27.864 1.00 0.00 S ATOM 0 H CYS A 33 2.802 5.995 29.500 1.00 0.00 H new ATOM 0 HA CYS A 33 4.374 7.155 27.262 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.754 4.868 26.634 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.010 4.998 28.363 1.00 0.00 H new ATOM 0 HG CYS A 33 3.418 2.941 28.762 1.00 0.00 H new ATOM 1325 N ASN A 34 2.581 6.000 25.407 1.00 0.00 N ATOM 1326 CA ASN A 34 1.438 6.044 24.450 1.00 0.00 C ATOM 1327 C ASN A 34 0.347 5.036 24.840 1.00 0.00 C ATOM 1328 O ASN A 34 -0.826 5.311 24.715 1.00 0.00 O ATOM 1329 CB ASN A 34 1.932 5.755 23.031 1.00 0.00 C ATOM 1330 CG ASN A 34 2.509 4.342 22.943 1.00 0.00 C ATOM 1331 OD1 ASN A 34 2.609 3.787 21.867 1.00 0.00 O ATOM 1332 ND2 ASN A 34 2.914 3.738 24.027 1.00 0.00 N ATOM 0 H ASN A 34 3.438 5.577 25.051 1.00 0.00 H new ATOM 0 HA ASN A 34 1.005 7.044 24.486 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.109 5.863 22.324 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.693 6.483 22.749 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.314 2.801 23.970 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.831 4.203 24.931 1.00 0.00 H new ATOM 1339 N ALA A 35 0.710 3.867 25.295 1.00 0.00 N ATOM 1340 CA ALA A 35 -0.337 2.863 25.661 1.00 0.00 C ATOM 1341 C ALA A 35 -1.111 3.277 26.924 1.00 0.00 C ATOM 1342 O ALA A 35 -2.325 3.289 26.928 1.00 0.00 O ATOM 1343 CB ALA A 35 0.300 1.486 25.860 1.00 0.00 C ATOM 0 H ALA A 35 1.675 3.564 25.429 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.051 2.816 24.838 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.471 0.763 26.126 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.787 1.173 24.936 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.039 1.539 26.660 1.00 0.00 H new ATOM 1349 N CYS A 36 -0.438 3.587 28.004 1.00 0.00 N ATOM 1350 CA CYS A 36 -1.176 3.961 29.253 1.00 0.00 C ATOM 1351 C CYS A 36 -2.024 5.214 29.025 1.00 0.00 C ATOM 1352 O CYS A 36 -3.208 5.226 29.287 1.00 0.00 O ATOM 1353 CB CYS A 36 -0.196 4.231 30.397 1.00 0.00 C ATOM 1354 SG CYS A 36 0.810 2.760 30.711 1.00 0.00 S ATOM 0 H CYS A 36 0.579 3.598 28.077 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.824 3.125 29.516 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.447 5.074 30.145 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.744 4.506 31.298 1.00 0.00 H new ATOM 0 HG CYS A 36 1.787 2.712 29.855 1.00 0.00 H new ATOM 1359 N GLY A 37 -1.434 6.270 28.543 1.00 0.00 N ATOM 1360 CA GLY A 37 -2.225 7.509 28.309 1.00 0.00 C ATOM 1361 C GLY A 37 -3.409 7.199 27.390 1.00 0.00 C ATOM 1362 O GLY A 37 -4.528 7.590 27.655 1.00 0.00 O ATOM 0 H GLY A 37 -0.445 6.330 28.302 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.583 7.908 29.258 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.594 8.275 27.859 1.00 0.00 H new ATOM 1366 N LEU A 38 -3.174 6.507 26.309 1.00 0.00 N ATOM 1367 CA LEU A 38 -4.288 6.177 25.371 1.00 0.00 C ATOM 1368 C LEU A 38 -5.251 5.162 26.001 1.00 0.00 C ATOM 1369 O LEU A 38 -6.453 5.254 25.850 1.00 0.00 O ATOM 1370 CB LEU A 38 -3.692 5.557 24.102 1.00 0.00 C ATOM 1371 CG LEU A 38 -2.853 6.597 23.338 1.00 0.00 C ATOM 1372 CD1 LEU A 38 -2.043 5.907 22.227 1.00 0.00 C ATOM 1373 CD2 LEU A 38 -3.770 7.663 22.713 1.00 0.00 C ATOM 0 H LEU A 38 -2.257 6.155 26.033 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.837 7.091 25.143 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.070 4.702 24.365 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.492 5.185 23.462 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.171 7.076 24.040 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.453 6.651 21.692 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.378 5.165 22.669 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.724 5.416 21.532 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.165 8.393 22.175 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.463 7.186 22.021 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.332 8.166 23.500 1.00 0.00 H new ATOM 1385 N PHE A 39 -4.728 4.182 26.690 1.00 0.00 N ATOM 1386 CA PHE A 39 -5.607 3.141 27.305 1.00 0.00 C ATOM 1387 C PHE A 39 -6.260 3.637 28.598 1.00 0.00 C ATOM 1388 O PHE A 39 -7.435 3.432 28.824 1.00 0.00 O ATOM 1389 CB PHE A 39 -4.783 1.887 27.612 1.00 0.00 C ATOM 1390 CG PHE A 39 -5.691 0.821 28.181 1.00 0.00 C ATOM 1391 CD1 PHE A 39 -5.948 0.784 29.556 1.00 0.00 C ATOM 1392 CD2 PHE A 39 -6.280 -0.128 27.335 1.00 0.00 C ATOM 1393 CE1 PHE A 39 -6.791 -0.201 30.084 1.00 0.00 C ATOM 1394 CE2 PHE A 39 -7.122 -1.113 27.863 1.00 0.00 C ATOM 1395 CZ PHE A 39 -7.378 -1.149 29.238 1.00 0.00 C ATOM 0 H PHE A 39 -3.729 4.056 26.854 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.397 2.913 26.589 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.300 1.524 26.705 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.990 2.123 28.322 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.496 1.515 30.210 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.084 -0.099 26.273 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.989 -0.229 31.145 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.574 -1.845 27.210 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.028 -1.908 29.647 1.00 0.00 H new ATOM 1405 N LEU A 40 -5.503 4.240 29.471 1.00 0.00 N ATOM 1406 CA LEU A 40 -6.082 4.691 30.768 1.00 0.00 C ATOM 1407 C LEU A 40 -7.190 5.726 30.533 1.00 0.00 C ATOM 1408 O LEU A 40 -8.274 5.614 31.069 1.00 0.00 O ATOM 1409 CB LEU A 40 -4.966 5.304 31.625 1.00 0.00 C ATOM 1410 CG LEU A 40 -5.396 5.373 33.102 1.00 0.00 C ATOM 1411 CD1 LEU A 40 -5.218 4.006 33.783 1.00 0.00 C ATOM 1412 CD2 LEU A 40 -4.538 6.406 33.840 1.00 0.00 C ATOM 0 H LEU A 40 -4.511 4.440 29.344 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.518 3.836 31.284 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.059 4.707 31.532 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.729 6.304 31.262 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.447 5.659 33.140 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.527 4.076 34.826 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.830 3.263 33.272 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.170 3.709 33.734 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.844 6.453 34.885 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.489 6.116 33.782 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.670 7.385 33.379 1.00 0.00 H new ATOM 1424 N LYS A 41 -6.930 6.738 29.750 1.00 0.00 N ATOM 1425 CA LYS A 41 -7.973 7.777 29.503 1.00 0.00 C ATOM 1426 C LYS A 41 -9.217 7.147 28.866 1.00 0.00 C ATOM 1427 O LYS A 41 -10.335 7.461 29.225 1.00 0.00 O ATOM 1428 CB LYS A 41 -7.415 8.836 28.550 1.00 0.00 C ATOM 1429 CG LYS A 41 -8.430 9.973 28.392 1.00 0.00 C ATOM 1430 CD LYS A 41 -7.900 11.005 27.395 1.00 0.00 C ATOM 1431 CE LYS A 41 -8.947 12.102 27.202 1.00 0.00 C ATOM 1432 NZ LYS A 41 -10.193 11.501 26.650 1.00 0.00 N ATOM 0 H LYS A 41 -6.042 6.891 29.271 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.248 8.230 30.456 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.473 9.227 28.936 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.201 8.389 27.579 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.384 9.576 28.046 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.613 10.446 29.357 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.968 11.436 27.760 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.678 10.526 26.441 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.156 12.592 28.153 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.568 12.868 26.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.745 12.234 26.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.946 10.748 25.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.758 11.101 27.426 1.00 0.00 H new ATOM 1446 N LEU A 42 -9.033 6.293 27.897 1.00 0.00 N ATOM 1447 CA LEU A 42 -10.209 5.683 27.206 1.00 0.00 C ATOM 1448 C LEU A 42 -10.947 4.702 28.122 1.00 0.00 C ATOM 1449 O LEU A 42 -12.146 4.539 28.015 1.00 0.00 O ATOM 1450 CB LEU A 42 -9.743 4.938 25.951 1.00 0.00 C ATOM 1451 CG LEU A 42 -9.275 5.936 24.882 1.00 0.00 C ATOM 1452 CD1 LEU A 42 -8.616 5.162 23.735 1.00 0.00 C ATOM 1453 CD2 LEU A 42 -10.466 6.750 24.341 1.00 0.00 C ATOM 0 H LEU A 42 -8.122 5.990 27.553 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.892 6.488 26.936 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.930 4.258 26.204 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.557 4.329 25.558 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.560 6.628 25.327 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.280 5.862 22.970 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.761 4.604 24.117 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.338 4.470 23.302 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.114 7.451 23.585 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.197 6.074 23.897 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.931 7.301 25.158 1.00 0.00 H new ATOM 1465 N HIS A 43 -10.258 4.020 28.998 1.00 0.00 N ATOM 1466 CA HIS A 43 -10.954 3.030 29.876 1.00 0.00 C ATOM 1467 C HIS A 43 -11.404 3.691 31.183 1.00 0.00 C ATOM 1468 O HIS A 43 -12.434 3.346 31.727 1.00 0.00 O ATOM 1469 CB HIS A 43 -9.996 1.871 30.164 1.00 0.00 C ATOM 1470 CG HIS A 43 -9.913 0.989 28.946 1.00 0.00 C ATOM 1471 ND1 HIS A 43 -9.275 1.391 27.784 1.00 0.00 N ATOM 1472 CD2 HIS A 43 -10.405 -0.267 28.690 1.00 0.00 C ATOM 1473 CE1 HIS A 43 -9.401 0.397 26.887 1.00 0.00 C ATOM 1474 NE2 HIS A 43 -10.081 -0.639 27.387 1.00 0.00 N ATOM 0 H HIS A 43 -9.252 4.103 29.144 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.843 2.655 29.370 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -9.008 2.254 30.420 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -10.347 1.297 31.021 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -8.797 2.280 27.636 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.958 -0.874 29.391 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.001 0.432 25.884 1.00 0.00 H new ATOM 1482 N GLY A 44 -10.681 4.656 31.682 1.00 0.00 N ATOM 1483 CA GLY A 44 -11.124 5.339 32.934 1.00 0.00 C ATOM 1484 C GLY A 44 -11.027 4.403 34.143 1.00 0.00 C ATOM 1485 O GLY A 44 -11.574 4.685 35.190 1.00 0.00 O ATOM 0 H GLY A 44 -9.808 5.000 31.281 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.510 6.223 33.105 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.152 5.683 32.819 1.00 0.00 H new ATOM 1489 N VAL A 45 -10.338 3.298 34.019 1.00 0.00 N ATOM 1490 CA VAL A 45 -10.210 2.353 35.174 1.00 0.00 C ATOM 1491 C VAL A 45 -8.783 1.806 35.235 1.00 0.00 C ATOM 1492 O VAL A 45 -7.980 2.028 34.351 1.00 0.00 O ATOM 1493 CB VAL A 45 -11.196 1.192 35.015 1.00 0.00 C ATOM 1494 CG1 VAL A 45 -12.621 1.681 35.285 1.00 0.00 C ATOM 1495 CG2 VAL A 45 -11.115 0.644 33.590 1.00 0.00 C ATOM 0 H VAL A 45 -9.857 3.007 33.168 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.435 2.888 36.096 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.940 0.407 35.727 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -13.318 0.851 35.170 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.685 2.072 36.301 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -12.876 2.469 34.576 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.817 -0.182 33.477 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.367 1.433 32.882 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.103 0.290 33.393 1.00 0.00 H new ATOM 1505 N VAL A 46 -8.462 1.096 36.282 1.00 0.00 N ATOM 1506 CA VAL A 46 -7.089 0.536 36.422 1.00 0.00 C ATOM 1507 C VAL A 46 -6.669 -0.131 35.110 1.00 0.00 C ATOM 1508 O VAL A 46 -7.487 -0.642 34.371 1.00 0.00 O ATOM 1509 CB VAL A 46 -7.077 -0.502 37.545 1.00 0.00 C ATOM 1510 CG1 VAL A 46 -7.443 0.168 38.874 1.00 0.00 C ATOM 1511 CG2 VAL A 46 -8.093 -1.601 37.224 1.00 0.00 C ATOM 0 H VAL A 46 -9.096 0.879 37.051 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.392 1.340 36.658 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.081 -0.937 37.629 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.433 -0.575 39.671 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.718 0.951 39.099 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.438 0.606 38.799 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.089 -2.344 38.021 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.088 -1.164 37.141 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.826 -2.079 36.281 1.00 0.00 H new ATOM 1521 N ARG A 47 -5.395 -0.107 34.815 1.00 0.00 N ATOM 1522 CA ARG A 47 -4.879 -0.713 33.549 1.00 0.00 C ATOM 1523 C ARG A 47 -4.043 -1.962 33.877 1.00 0.00 C ATOM 1524 O ARG A 47 -3.158 -1.898 34.706 1.00 0.00 O ATOM 1525 CB ARG A 47 -3.990 0.328 32.859 1.00 0.00 C ATOM 1526 CG ARG A 47 -3.270 -0.276 31.649 1.00 0.00 C ATOM 1527 CD ARG A 47 -2.498 0.835 30.935 1.00 0.00 C ATOM 1528 NE ARG A 47 -1.823 0.294 29.713 1.00 0.00 N ATOM 1529 CZ ARG A 47 -0.947 -0.673 29.779 1.00 0.00 C ATOM 1530 NH1 ARG A 47 -0.511 -1.099 30.932 1.00 0.00 N ATOM 1531 NH2 ARG A 47 -0.465 -1.184 28.678 1.00 0.00 N ATOM 0 H ARG A 47 -4.678 0.313 35.407 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.706 -1.003 32.901 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.597 1.175 32.539 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.257 0.712 33.568 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.589 -1.064 31.969 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.990 -0.733 30.970 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.179 1.640 30.657 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.756 1.263 31.609 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.054 0.692 28.803 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.854 -0.677 31.795 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.173 -1.855 30.971 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.773 -0.828 27.773 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.219 -1.939 28.723 1.00 0.00 H new ATOM 1545 N PRO A 48 -4.283 -3.088 33.241 1.00 0.00 N ATOM 1546 CA PRO A 48 -3.478 -4.308 33.515 1.00 0.00 C ATOM 1547 C PRO A 48 -2.056 -4.139 32.976 1.00 0.00 C ATOM 1548 O PRO A 48 -1.781 -4.403 31.822 1.00 0.00 O ATOM 1549 CB PRO A 48 -4.226 -5.438 32.791 1.00 0.00 C ATOM 1550 CG PRO A 48 -5.041 -4.765 31.729 1.00 0.00 C ATOM 1551 CD PRO A 48 -5.313 -3.333 32.211 1.00 0.00 C ATOM 0 HA PRO A 48 -3.374 -4.514 34.580 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.529 -6.154 32.356 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -4.862 -5.992 33.481 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.506 -4.757 30.779 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -5.976 -5.300 31.563 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.234 -2.617 31.393 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.317 -3.237 32.623 1.00 0.00 H new ATOM 1559 N LEU A 49 -1.157 -3.682 33.802 1.00 0.00 N ATOM 1560 CA LEU A 49 0.241 -3.475 33.339 1.00 0.00 C ATOM 1561 C LEU A 49 0.795 -4.812 32.852 1.00 0.00 C ATOM 1562 O LEU A 49 1.830 -4.879 32.217 1.00 0.00 O ATOM 1563 CB LEU A 49 1.088 -2.952 34.501 1.00 0.00 C ATOM 1564 CG LEU A 49 0.370 -1.776 35.174 1.00 0.00 C ATOM 1565 CD1 LEU A 49 1.285 -1.151 36.232 1.00 0.00 C ATOM 1566 CD2 LEU A 49 -0.010 -0.719 34.125 1.00 0.00 C ATOM 0 H LEU A 49 -1.331 -3.443 34.778 1.00 0.00 H new ATOM 0 HA LEU A 49 0.267 -2.748 32.527 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.261 -3.748 35.225 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.065 -2.634 34.137 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.539 -2.141 35.653 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.772 -0.316 36.709 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.536 -1.899 36.984 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.199 -0.793 35.757 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.519 0.112 34.613 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.892 -0.353 33.634 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.672 -1.165 33.383 1.00 0.00 H new ATOM 1578 N SER A 50 0.099 -5.877 33.139 1.00 0.00 N ATOM 1579 CA SER A 50 0.556 -7.221 32.694 1.00 0.00 C ATOM 1580 C SER A 50 0.645 -7.250 31.166 1.00 0.00 C ATOM 1581 O SER A 50 1.319 -8.083 30.593 1.00 0.00 O ATOM 1582 CB SER A 50 -0.443 -8.280 33.166 1.00 0.00 C ATOM 1583 OG SER A 50 0.081 -9.574 32.901 1.00 0.00 O ATOM 0 H SER A 50 -0.774 -5.872 33.667 1.00 0.00 H new ATOM 0 HA SER A 50 1.538 -7.431 33.119 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.635 -8.165 34.233 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.397 -8.150 32.654 1.00 0.00 H new ATOM 0 HG SER A 50 -0.557 -10.254 33.204 1.00 0.00 H new ATOM 1589 N LEU A 51 -0.030 -6.352 30.499 1.00 0.00 N ATOM 1590 CA LEU A 51 0.023 -6.344 29.008 1.00 0.00 C ATOM 1591 C LEU A 51 1.317 -5.668 28.551 1.00 0.00 C ATOM 1592 O LEU A 51 1.730 -5.810 27.417 1.00 0.00 O ATOM 1593 CB LEU A 51 -1.171 -5.572 28.435 1.00 0.00 C ATOM 1594 CG LEU A 51 -2.496 -6.213 28.866 1.00 0.00 C ATOM 1595 CD1 LEU A 51 -3.653 -5.414 28.255 1.00 0.00 C ATOM 1596 CD2 LEU A 51 -2.571 -7.668 28.382 1.00 0.00 C ATOM 0 H LEU A 51 -0.613 -5.628 30.919 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.011 -7.373 28.650 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.136 -4.537 28.774 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.109 -5.553 27.347 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.562 -6.204 29.954 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.601 -5.860 28.554 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.610 -4.383 28.607 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.572 -5.429 27.168 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.518 -8.108 28.696 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.502 -7.694 27.294 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.746 -8.237 28.811 1.00 0.00 H new ATOM 1608 N LYS A 52 1.963 -4.931 29.414 1.00 0.00 N ATOM 1609 CA LYS A 52 3.226 -4.257 29.007 1.00 0.00 C ATOM 1610 C LYS A 52 4.184 -5.297 28.434 1.00 0.00 C ATOM 1611 O LYS A 52 4.247 -6.421 28.893 1.00 0.00 O ATOM 1612 CB LYS A 52 3.869 -3.580 30.224 1.00 0.00 C ATOM 1613 CG LYS A 52 5.128 -2.780 29.809 1.00 0.00 C ATOM 1614 CD LYS A 52 6.407 -3.594 30.061 1.00 0.00 C ATOM 1615 CE LYS A 52 7.636 -2.698 29.866 1.00 0.00 C ATOM 1616 NZ LYS A 52 7.841 -2.436 28.415 1.00 0.00 N ATOM 0 H LYS A 52 1.672 -4.768 30.378 1.00 0.00 H new ATOM 0 HA LYS A 52 3.009 -3.501 28.253 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.149 -2.913 30.697 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.139 -4.333 30.964 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.063 -2.515 28.754 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.171 -1.846 30.370 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.398 -4.000 31.072 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.451 -4.442 29.377 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.500 -1.757 30.400 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.519 -3.179 30.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.789 -2.760 28.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.123 -2.949 27.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.755 -1.416 28.231 1.00 0.00 H new ATOM 1630 N THR A 53 4.948 -4.925 27.446 1.00 0.00 N ATOM 1631 CA THR A 53 5.926 -5.879 26.851 1.00 0.00 C ATOM 1632 C THR A 53 7.145 -5.109 26.364 1.00 0.00 C ATOM 1633 O THR A 53 7.074 -3.935 26.060 1.00 0.00 O ATOM 1634 CB THR A 53 5.295 -6.616 25.669 1.00 0.00 C ATOM 1635 OG1 THR A 53 6.324 -7.184 24.870 1.00 0.00 O ATOM 1636 CG2 THR A 53 4.468 -5.642 24.826 1.00 0.00 C ATOM 0 H THR A 53 4.938 -3.997 27.023 1.00 0.00 H new ATOM 0 HA THR A 53 6.219 -6.605 27.609 1.00 0.00 H new ATOM 0 HB THR A 53 4.641 -7.404 26.042 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.925 -7.659 24.112 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.022 -6.175 23.986 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.679 -5.208 25.440 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.113 -4.848 24.450 1.00 0.00 H new ATOM 1644 N ASP A 54 8.265 -5.763 26.279 1.00 0.00 N ATOM 1645 CA ASP A 54 9.490 -5.067 25.800 1.00 0.00 C ATOM 1646 C ASP A 54 9.488 -5.110 24.273 1.00 0.00 C ATOM 1647 O ASP A 54 10.267 -4.446 23.618 1.00 0.00 O ATOM 1648 CB ASP A 54 10.728 -5.788 26.336 1.00 0.00 C ATOM 1649 CG ASP A 54 10.797 -5.616 27.856 1.00 0.00 C ATOM 1650 OD1 ASP A 54 10.160 -4.706 28.359 1.00 0.00 O ATOM 1651 OD2 ASP A 54 11.478 -6.405 28.491 1.00 0.00 O ATOM 0 H ASP A 54 8.387 -6.747 26.519 1.00 0.00 H new ATOM 0 HA ASP A 54 9.506 -4.035 26.149 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.685 -6.847 26.080 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.628 -5.384 25.872 1.00 0.00 H new ATOM 1656 N VAL A 55 8.598 -5.885 23.707 1.00 0.00 N ATOM 1657 CA VAL A 55 8.500 -5.994 22.222 1.00 0.00 C ATOM 1658 C VAL A 55 7.200 -5.324 21.768 1.00 0.00 C ATOM 1659 O VAL A 55 6.139 -5.599 22.293 1.00 0.00 O ATOM 1660 CB VAL A 55 8.466 -7.472 21.828 1.00 0.00 C ATOM 1661 CG1 VAL A 55 8.385 -7.591 20.306 1.00 0.00 C ATOM 1662 CG2 VAL A 55 9.732 -8.170 22.332 1.00 0.00 C ATOM 0 H VAL A 55 7.926 -6.455 24.220 1.00 0.00 H new ATOM 0 HA VAL A 55 9.356 -5.510 21.753 1.00 0.00 H new ATOM 0 HB VAL A 55 7.593 -7.946 22.276 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.361 -8.644 20.024 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.480 -7.099 19.950 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.257 -7.115 19.857 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.704 -9.222 22.050 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.609 -7.698 21.888 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.786 -8.087 23.418 1.00 0.00 H new ATOM 1672 N ILE A 56 7.279 -4.439 20.808 1.00 0.00 N ATOM 1673 CA ILE A 56 6.060 -3.724 20.312 1.00 0.00 C ATOM 1674 C ILE A 56 5.843 -4.031 18.828 1.00 0.00 C ATOM 1675 O ILE A 56 6.747 -3.927 18.023 1.00 0.00 O ATOM 1676 CB ILE A 56 6.259 -2.219 20.494 1.00 0.00 C ATOM 1677 CG1 ILE A 56 6.469 -1.912 21.980 1.00 0.00 C ATOM 1678 CG2 ILE A 56 5.022 -1.476 19.986 1.00 0.00 C ATOM 1679 CD1 ILE A 56 6.916 -0.457 22.148 1.00 0.00 C ATOM 0 H ILE A 56 8.146 -4.177 20.340 1.00 0.00 H new ATOM 0 HA ILE A 56 5.189 -4.057 20.876 1.00 0.00 H new ATOM 0 HB ILE A 56 7.132 -1.894 19.929 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.545 -2.085 22.531 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.219 -2.584 22.398 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.163 -0.403 20.116 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.873 -1.697 18.929 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.147 -1.797 20.551 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.064 -0.242 23.206 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.851 -0.299 21.611 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.151 0.207 21.747 1.00 0.00 H new ATOM 1691 N LYS A 57 4.646 -4.405 18.457 1.00 0.00 N ATOM 1692 CA LYS A 57 4.374 -4.710 17.023 1.00 0.00 C ATOM 1693 C LYS A 57 4.378 -3.396 16.236 1.00 0.00 C ATOM 1694 O LYS A 57 3.637 -2.481 16.535 1.00 0.00 O ATOM 1695 CB LYS A 57 3.001 -5.382 16.898 1.00 0.00 C ATOM 1696 CG LYS A 57 2.815 -5.965 15.488 1.00 0.00 C ATOM 1697 CD LYS A 57 3.489 -7.340 15.379 1.00 0.00 C ATOM 1698 CE LYS A 57 3.059 -8.019 14.076 1.00 0.00 C ATOM 1699 NZ LYS A 57 1.608 -8.355 14.145 1.00 0.00 N ATOM 0 H LYS A 57 3.848 -4.512 19.084 1.00 0.00 H new ATOM 0 HA LYS A 57 5.137 -5.381 16.629 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.908 -6.174 17.641 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.214 -4.657 17.105 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.752 -6.056 15.263 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.240 -5.286 14.749 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.573 -7.228 15.402 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.214 -7.960 16.232 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.250 -7.359 13.230 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.645 -8.924 13.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.402 -9.139 13.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.363 -8.637 15.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.046 -7.523 13.874 1.00 0.00 H new ATOM 1713 N LYS A 58 5.202 -3.295 15.226 1.00 0.00 N ATOM 1714 CA LYS A 58 5.250 -2.039 14.416 1.00 0.00 C ATOM 1715 C LYS A 58 4.266 -2.136 13.249 1.00 0.00 C ATOM 1716 O LYS A 58 4.145 -3.164 12.614 1.00 0.00 O ATOM 1717 CB LYS A 58 6.667 -1.834 13.877 1.00 0.00 C ATOM 1718 CG LYS A 58 7.598 -1.476 15.036 1.00 0.00 C ATOM 1719 CD LYS A 58 9.019 -1.267 14.510 1.00 0.00 C ATOM 1720 CE LYS A 58 9.947 -0.909 15.674 1.00 0.00 C ATOM 1721 NZ LYS A 58 9.530 0.394 16.265 1.00 0.00 N ATOM 0 H LYS A 58 5.845 -4.028 14.926 1.00 0.00 H new ATOM 0 HA LYS A 58 4.974 -1.194 15.046 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.015 -2.740 13.381 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.674 -1.040 13.130 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.246 -0.571 15.531 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.589 -2.271 15.781 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.372 -2.172 14.015 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.029 -0.471 13.765 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.913 -1.691 16.433 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.978 -0.848 15.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.363 1.006 16.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.844 0.857 15.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.092 0.230 17.194 1.00 0.00 H new ATOM 1735 N ARG A 59 3.553 -1.075 12.970 1.00 0.00 N ATOM 1736 CA ARG A 59 2.562 -1.102 11.851 1.00 0.00 C ATOM 1737 C ARG A 59 3.166 -0.416 10.623 1.00 0.00 C ATOM 1738 O ARG A 59 4.230 0.168 10.686 1.00 0.00 O ATOM 1739 CB ARG A 59 1.298 -0.352 12.271 1.00 0.00 C ATOM 1740 CG ARG A 59 0.714 -1.006 13.525 1.00 0.00 C ATOM 1741 CD ARG A 59 -0.556 -0.262 13.946 1.00 0.00 C ATOM 1742 NE ARG A 59 -0.893 -0.600 15.366 1.00 0.00 N ATOM 1743 CZ ARG A 59 -1.035 -1.838 15.763 1.00 0.00 C ATOM 1744 NH1 ARG A 59 -1.088 -2.812 14.895 1.00 0.00 N ATOM 1745 NH2 ARG A 59 -1.186 -2.095 17.034 1.00 0.00 N ATOM 0 H ARG A 59 3.614 -0.188 13.470 1.00 0.00 H new ATOM 0 HA ARG A 59 2.313 -2.136 11.612 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.531 0.694 12.468 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.566 -0.369 11.464 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.486 -2.054 13.329 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.445 -0.985 14.333 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.410 0.813 13.843 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.383 -0.536 13.291 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.015 0.155 16.041 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.018 -2.611 13.898 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.199 -3.774 15.214 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.193 -1.332 17.711 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.297 -3.058 17.350 1.00 0.00 H new ATOM 1759 N ASN A 60 2.511 -0.513 9.499 1.00 0.00 N ATOM 1760 CA ASN A 60 3.057 0.094 8.251 1.00 0.00 C ATOM 1761 C ASN A 60 2.991 1.622 8.312 1.00 0.00 C ATOM 1762 O ASN A 60 2.582 2.205 9.296 1.00 0.00 O ATOM 1763 CB ASN A 60 2.246 -0.402 7.051 1.00 0.00 C ATOM 1764 CG ASN A 60 0.807 0.107 7.157 1.00 0.00 C ATOM 1765 OD1 ASN A 60 0.345 0.438 8.231 1.00 0.00 O ATOM 1766 ND2 ASN A 60 0.075 0.185 6.080 1.00 0.00 N ATOM 0 H ASN A 60 1.616 -0.989 9.390 1.00 0.00 H new ATOM 0 HA ASN A 60 4.101 -0.203 8.148 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.699 -0.051 6.124 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.255 -1.491 7.018 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.885 0.524 6.139 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.463 -0.093 5.178 1.00 0.00 H new