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 -26:sc= -0.465 USER MOD Set 1.2: A 15 CYS SG : rot -65:sc= -4.03! USER MOD Set 1.3: A 33 CYS SG : rot 93:sc= -0.413 USER MOD Set 1.4: A 34 ASN : amide:sc= -1.51! C(o=-6.2!,f=-17!) USER MOD Set 1.5: A 36 CYS SG : rot 157:sc= 0.223 USER MOD Set 2.1: A 13 THR OG1 : rot -76:sc= 0.0527 USER MOD Set 2.2: A 14 ASN : amide:sc= -5.34! C(o=-5.3!,f=-3.8!) USER MOD Single : A 10 THR OG1 : rot 36:sc= 0.068 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -124:sc= -0.287 USER MOD Single : A 26 ASN : amide:sc= -1.9 K(o=-1.9,f=-0.83) USER MOD Single : A 30 GLN : amide:sc= -1.17! K(o=-1.2!,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -157:sc= -0.0901 (180deg=-0.605) USER MOD Single : A 43 HIS : no HE2:sc= -8.24! C(o=-8.2!,f=-9.4!) USER MOD Single : A 50 SER OG : rot -40:sc= 0.0451 USER MOD Single : A 52 LYS NZ :NH3+ -179:sc= -1.33 (180deg=-1.36) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.333 USER MOD Single : A 57 LYS NZ :NH3+ 159:sc= -0.101 (180deg=-0.654) USER MOD Single : A 58 LYS NZ :NH3+ -124:sc= 1.25 (180deg=0.21) USER MOD Single : A 60 ASN : amide:sc= -5.42! K(o=-5.4!,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 955 N THR A 10 12.734 11.906 30.582 1.00 0.00 N ATOM 956 CA THR A 10 11.284 11.591 30.459 1.00 0.00 C ATOM 957 C THR A 10 11.065 10.086 30.632 1.00 0.00 C ATOM 958 O THR A 10 11.623 9.279 29.915 1.00 0.00 O ATOM 959 CB THR A 10 10.804 12.017 29.069 1.00 0.00 C ATOM 960 OG1 THR A 10 10.942 13.424 28.932 1.00 0.00 O ATOM 961 CG2 THR A 10 9.338 11.621 28.878 1.00 0.00 C ATOM 0 HA THR A 10 10.725 12.124 31.228 1.00 0.00 H new ATOM 0 HB THR A 10 11.408 11.517 28.312 1.00 0.00 H new ATOM 0 HG1 THR A 10 11.748 13.721 29.404 1.00 0.00 H new ATOM 0 HG21 THR A 10 9.004 11.928 27.887 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.237 10.540 28.976 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.727 12.113 29.635 1.00 0.00 H new ATOM 969 N THR A 11 10.252 9.704 31.584 1.00 0.00 N ATOM 970 CA THR A 11 9.980 8.253 31.818 1.00 0.00 C ATOM 971 C THR A 11 8.501 8.073 32.176 1.00 0.00 C ATOM 972 O THR A 11 7.891 8.933 32.778 1.00 0.00 O ATOM 973 CB THR A 11 10.854 7.750 32.968 1.00 0.00 C ATOM 974 OG1 THR A 11 12.213 8.063 32.698 1.00 0.00 O ATOM 975 CG2 THR A 11 10.694 6.236 33.105 1.00 0.00 C ATOM 0 H THR A 11 9.762 10.339 32.213 1.00 0.00 H new ATOM 0 HA THR A 11 10.210 7.683 30.918 1.00 0.00 H new ATOM 0 HB THR A 11 10.548 8.231 33.897 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.775 7.743 33.434 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.317 5.877 33.924 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.651 5.998 33.311 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.001 5.752 32.178 1.00 0.00 H new ATOM 983 N CYS A 12 7.917 6.964 31.806 1.00 0.00 N ATOM 984 CA CYS A 12 6.475 6.739 32.120 1.00 0.00 C ATOM 985 C CYS A 12 6.311 6.506 33.623 1.00 0.00 C ATOM 986 O CYS A 12 6.703 5.485 34.155 1.00 0.00 O ATOM 987 CB CYS A 12 5.969 5.526 31.346 1.00 0.00 C ATOM 988 SG CYS A 12 4.170 5.634 31.195 1.00 0.00 S ATOM 0 H CYS A 12 8.375 6.205 31.301 1.00 0.00 H new ATOM 0 HA CYS A 12 5.896 7.615 31.829 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.428 5.491 30.358 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.249 4.607 31.861 1.00 0.00 H new ATOM 0 HG CYS A 12 3.693 6.336 32.180 1.00 0.00 H new ATOM 993 N THR A 13 5.722 7.450 34.298 1.00 0.00 N ATOM 994 CA THR A 13 5.523 7.326 35.771 1.00 0.00 C ATOM 995 C THR A 13 4.555 6.188 36.083 1.00 0.00 C ATOM 996 O THR A 13 4.401 5.793 37.223 1.00 0.00 O ATOM 997 CB THR A 13 4.919 8.629 36.293 1.00 0.00 C ATOM 998 OG1 THR A 13 3.597 8.760 35.791 1.00 0.00 O ATOM 999 CG2 THR A 13 5.760 9.816 35.822 1.00 0.00 C ATOM 0 H THR A 13 5.365 8.314 33.889 1.00 0.00 H new ATOM 0 HA THR A 13 6.483 7.122 36.244 1.00 0.00 H new ATOM 0 HB THR A 13 4.903 8.612 37.383 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.630 9.023 34.848 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.325 10.742 36.197 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.777 9.714 36.200 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.779 9.839 34.732 1.00 0.00 H new ATOM 1007 N ASN A 14 3.874 5.684 35.092 1.00 0.00 N ATOM 1008 CA ASN A 14 2.876 4.601 35.337 1.00 0.00 C ATOM 1009 C ASN A 14 3.425 3.217 34.971 1.00 0.00 C ATOM 1010 O ASN A 14 3.075 2.245 35.612 1.00 0.00 O ATOM 1011 CB ASN A 14 1.628 4.896 34.502 1.00 0.00 C ATOM 1012 CG ASN A 14 0.819 6.010 35.174 1.00 0.00 C ATOM 1013 OD1 ASN A 14 1.258 7.140 35.242 1.00 0.00 O ATOM 1014 ND2 ASN A 14 -0.354 5.735 35.677 1.00 0.00 N ATOM 0 H ASN A 14 3.965 5.975 34.119 1.00 0.00 H new ATOM 0 HA ASN A 14 2.639 4.584 36.401 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.914 5.196 33.494 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.020 3.997 34.406 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.901 6.469 36.127 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.723 4.786 35.620 1.00 0.00 H new ATOM 1021 N CYS A 15 4.239 3.086 33.947 1.00 0.00 N ATOM 1022 CA CYS A 15 4.742 1.721 33.572 1.00 0.00 C ATOM 1023 C CYS A 15 6.263 1.745 33.371 1.00 0.00 C ATOM 1024 O CYS A 15 6.858 0.772 32.954 1.00 0.00 O ATOM 1025 CB CYS A 15 4.024 1.244 32.299 1.00 0.00 C ATOM 1026 SG CYS A 15 4.771 1.973 30.820 1.00 0.00 S ATOM 0 H CYS A 15 4.573 3.852 33.362 1.00 0.00 H new ATOM 0 HA CYS A 15 4.526 1.022 34.380 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.071 0.157 32.236 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.969 1.515 32.349 1.00 0.00 H new ATOM 0 HG CYS A 15 4.598 3.261 30.836 1.00 0.00 H new ATOM 1031 N PHE A 16 6.897 2.837 33.703 1.00 0.00 N ATOM 1032 CA PHE A 16 8.384 2.938 33.591 1.00 0.00 C ATOM 1033 C PHE A 16 8.902 2.605 32.187 1.00 0.00 C ATOM 1034 O PHE A 16 10.097 2.600 31.966 1.00 0.00 O ATOM 1035 CB PHE A 16 9.038 1.989 34.598 1.00 0.00 C ATOM 1036 CG PHE A 16 8.759 2.461 36.006 1.00 0.00 C ATOM 1037 CD1 PHE A 16 7.619 2.009 36.683 1.00 0.00 C ATOM 1038 CD2 PHE A 16 9.639 3.349 36.637 1.00 0.00 C ATOM 1039 CE1 PHE A 16 7.361 2.442 37.989 1.00 0.00 C ATOM 1040 CE2 PHE A 16 9.380 3.783 37.944 1.00 0.00 C ATOM 1041 CZ PHE A 16 8.241 3.329 38.620 1.00 0.00 C ATOM 0 H PHE A 16 6.440 3.679 34.053 1.00 0.00 H new ATOM 0 HA PHE A 16 8.647 3.975 33.801 1.00 0.00 H new ATOM 0 HB2 PHE A 16 8.653 0.978 34.461 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.113 1.947 34.426 1.00 0.00 H new ATOM 0 HD1 PHE A 16 6.938 1.326 36.197 1.00 0.00 H new ATOM 0 HD2 PHE A 16 10.518 3.700 36.116 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.482 2.091 38.510 1.00 0.00 H new ATOM 0 HE2 PHE A 16 10.059 4.468 38.430 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.042 3.663 39.628 1.00 0.00 H new ATOM 1051 N THR A 17 8.061 2.307 31.235 1.00 0.00 N ATOM 1052 CA THR A 17 8.603 1.965 29.887 1.00 0.00 C ATOM 1053 C THR A 17 9.323 3.183 29.297 1.00 0.00 C ATOM 1054 O THR A 17 8.800 4.279 29.281 1.00 0.00 O ATOM 1055 CB THR A 17 7.457 1.536 28.960 1.00 0.00 C ATOM 1056 OG1 THR A 17 7.996 0.901 27.810 1.00 0.00 O ATOM 1057 CG2 THR A 17 6.638 2.755 28.529 1.00 0.00 C ATOM 0 H THR A 17 7.045 2.285 31.326 1.00 0.00 H new ATOM 0 HA THR A 17 9.311 1.142 29.982 1.00 0.00 H new ATOM 0 HB THR A 17 6.807 0.845 29.496 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.267 0.624 27.217 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.829 2.436 27.872 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.220 3.242 29.410 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.281 3.456 27.998 1.00 0.00 H new ATOM 1065 N GLN A 18 10.526 2.992 28.817 1.00 0.00 N ATOM 1066 CA GLN A 18 11.298 4.129 28.228 1.00 0.00 C ATOM 1067 C GLN A 18 11.204 4.075 26.701 1.00 0.00 C ATOM 1068 O GLN A 18 11.603 4.996 26.016 1.00 0.00 O ATOM 1069 CB GLN A 18 12.771 4.008 28.629 1.00 0.00 C ATOM 1070 CG GLN A 18 12.917 4.177 30.142 1.00 0.00 C ATOM 1071 CD GLN A 18 14.368 3.896 30.542 1.00 0.00 C ATOM 1072 OE1 GLN A 18 15.152 3.437 29.736 1.00 0.00 O ATOM 1073 NE2 GLN A 18 14.760 4.145 31.761 1.00 0.00 N ATOM 0 H GLN A 18 11.009 2.094 28.808 1.00 0.00 H new ATOM 0 HA GLN A 18 10.885 5.069 28.595 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.161 3.037 28.324 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.361 4.765 28.112 1.00 0.00 H new ATOM 0 HG2 GLN A 18 12.635 5.188 30.436 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.245 3.495 30.663 1.00 0.00 H new ATOM 0 HE21 GLN A 18 14.103 4.531 32.439 1.00 0.00 H new ATOM 0 HE22 GLN A 18 15.724 3.954 32.036 1.00 0.00 H new ATOM 1082 N THR A 19 10.685 3.001 26.163 1.00 0.00 N ATOM 1083 CA THR A 19 10.568 2.874 24.677 1.00 0.00 C ATOM 1084 C THR A 19 9.124 3.139 24.254 1.00 0.00 C ATOM 1085 O THR A 19 8.209 2.460 24.676 1.00 0.00 O ATOM 1086 CB THR A 19 10.967 1.456 24.259 1.00 0.00 C ATOM 1087 OG1 THR A 19 12.277 1.181 24.734 1.00 0.00 O ATOM 1088 CG2 THR A 19 10.947 1.350 22.732 1.00 0.00 C ATOM 0 H THR A 19 10.335 2.202 26.691 1.00 0.00 H new ATOM 0 HA THR A 19 11.226 3.598 24.196 1.00 0.00 H new ATOM 0 HB THR A 19 10.264 0.738 24.682 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.537 0.274 24.471 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.231 0.341 22.434 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.944 1.568 22.365 1.00 0.00 H new ATOM 0 HG23 THR A 19 11.652 2.065 22.308 1.00 0.00 H new ATOM 1096 N THR A 20 8.911 4.123 23.424 1.00 0.00 N ATOM 1097 CA THR A 20 7.522 4.426 22.979 1.00 0.00 C ATOM 1098 C THR A 20 7.561 5.312 21.728 1.00 0.00 C ATOM 1099 O THR A 20 8.418 6.164 21.608 1.00 0.00 O ATOM 1100 CB THR A 20 6.806 5.180 24.097 1.00 0.00 C ATOM 1101 OG1 THR A 20 5.460 5.428 23.715 1.00 0.00 O ATOM 1102 CG2 THR A 20 7.521 6.508 24.361 1.00 0.00 C ATOM 0 H THR A 20 9.635 4.728 23.036 1.00 0.00 H new ATOM 0 HA THR A 20 6.999 3.498 22.749 1.00 0.00 H new ATOM 0 HB THR A 20 6.818 4.579 25.006 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.280 6.390 23.758 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.008 7.045 25.159 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.552 6.314 24.658 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.513 7.112 23.454 1.00 0.00 H new ATOM 1110 N PRO A 21 6.637 5.147 20.812 1.00 0.00 N ATOM 1111 CA PRO A 21 6.590 5.990 19.584 1.00 0.00 C ATOM 1112 C PRO A 21 6.046 7.391 19.892 1.00 0.00 C ATOM 1113 O PRO A 21 6.238 8.323 19.137 1.00 0.00 O ATOM 1114 CB PRO A 21 5.637 5.224 18.661 1.00 0.00 C ATOM 1115 CG PRO A 21 4.714 4.501 19.587 1.00 0.00 C ATOM 1116 CD PRO A 21 5.546 4.151 20.825 1.00 0.00 C ATOM 0 HA PRO A 21 7.575 6.149 19.144 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.090 5.902 18.006 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.179 4.529 18.020 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.861 5.125 19.854 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.316 3.601 19.117 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.953 4.219 21.737 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.933 3.133 20.772 1.00 0.00 H new ATOM 1124 N LEU A 22 5.345 7.536 20.987 1.00 0.00 N ATOM 1125 CA LEU A 22 4.761 8.867 21.334 1.00 0.00 C ATOM 1126 C LEU A 22 4.596 8.998 22.851 1.00 0.00 C ATOM 1127 O LEU A 22 4.036 8.145 23.510 1.00 0.00 O ATOM 1128 CB LEU A 22 3.398 8.989 20.644 1.00 0.00 C ATOM 1129 CG LEU A 22 2.625 10.219 21.144 1.00 0.00 C ATOM 1130 CD1 LEU A 22 3.434 11.495 20.903 1.00 0.00 C ATOM 1131 CD2 LEU A 22 1.306 10.311 20.374 1.00 0.00 C ATOM 0 H LEU A 22 5.152 6.791 21.656 1.00 0.00 H new ATOM 0 HA LEU A 22 5.426 9.662 20.996 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.539 9.060 19.566 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.812 8.089 20.830 1.00 0.00 H new ATOM 0 HG LEU A 22 2.441 10.118 22.214 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.871 12.356 21.263 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.382 11.431 21.438 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.626 11.608 19.836 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.744 11.180 20.717 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.513 10.410 19.308 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.720 9.408 20.547 1.00 0.00 H new ATOM 1143 N TRP A 23 5.074 10.086 23.394 1.00 0.00 N ATOM 1144 CA TRP A 23 4.946 10.320 24.863 1.00 0.00 C ATOM 1145 C TRP A 23 3.608 11.007 25.154 1.00 0.00 C ATOM 1146 O TRP A 23 3.306 12.050 24.610 1.00 0.00 O ATOM 1147 CB TRP A 23 6.098 11.212 25.347 1.00 0.00 C ATOM 1148 CG TRP A 23 7.341 10.395 25.489 1.00 0.00 C ATOM 1149 CD1 TRP A 23 8.380 10.398 24.623 1.00 0.00 C ATOM 1150 CD2 TRP A 23 7.689 9.450 26.542 1.00 0.00 C ATOM 1151 NE1 TRP A 23 9.344 9.518 25.080 1.00 0.00 N ATOM 1152 CE2 TRP A 23 8.964 8.908 26.258 1.00 0.00 C ATOM 1153 CE3 TRP A 23 7.028 9.016 27.704 1.00 0.00 C ATOM 1154 CZ2 TRP A 23 9.562 7.965 27.099 1.00 0.00 C ATOM 1155 CZ3 TRP A 23 7.626 8.070 28.552 1.00 0.00 C ATOM 1156 CH2 TRP A 23 8.889 7.545 28.251 1.00 0.00 C ATOM 0 H TRP A 23 5.550 10.827 22.880 1.00 0.00 H new ATOM 0 HA TRP A 23 4.987 9.365 25.387 1.00 0.00 H new ATOM 0 HB2 TRP A 23 6.264 12.024 24.639 1.00 0.00 H new ATOM 0 HB3 TRP A 23 5.840 11.669 26.302 1.00 0.00 H new ATOM 0 HD1 TRP A 23 8.446 10.990 23.722 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.229 9.341 24.604 1.00 0.00 H new ATOM 0 HE3 TRP A 23 6.053 9.413 27.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 10.536 7.564 26.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.108 7.745 29.442 1.00 0.00 H new ATOM 0 HH2 TRP A 23 9.343 6.817 28.907 1.00 0.00 H new ATOM 1167 N ARG A 24 2.805 10.425 26.008 1.00 0.00 N ATOM 1168 CA ARG A 24 1.479 11.023 26.350 1.00 0.00 C ATOM 1169 C ARG A 24 1.577 11.640 27.745 1.00 0.00 C ATOM 1170 O ARG A 24 2.557 11.460 28.440 1.00 0.00 O ATOM 1171 CB ARG A 24 0.406 9.926 26.361 1.00 0.00 C ATOM 1172 CG ARG A 24 0.289 9.258 24.982 1.00 0.00 C ATOM 1173 CD ARG A 24 -0.582 10.103 24.047 1.00 0.00 C ATOM 1174 NE ARG A 24 -0.591 9.492 22.687 1.00 0.00 N ATOM 1175 CZ ARG A 24 -1.506 9.843 21.825 1.00 0.00 C ATOM 1176 NH1 ARG A 24 -2.427 10.698 22.174 1.00 0.00 N ATOM 1177 NH2 ARG A 24 -1.500 9.334 20.622 1.00 0.00 N ATOM 0 H ARG A 24 3.015 9.550 26.489 1.00 0.00 H new ATOM 0 HA ARG A 24 1.210 11.781 25.614 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.654 9.177 27.112 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.555 10.355 26.644 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.281 9.131 24.548 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.142 8.263 25.089 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.598 10.164 24.436 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.198 11.122 23.997 1.00 0.00 H new ATOM 0 HE ARG A 24 0.115 8.802 22.431 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.430 11.089 23.116 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.145 10.976 21.505 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.780 8.662 20.356 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.215 9.608 19.949 1.00 0.00 H new ATOM 1191 N ARG A 25 0.568 12.356 28.166 1.00 0.00 N ATOM 1192 CA ARG A 25 0.591 12.979 29.525 1.00 0.00 C ATOM 1193 C ARG A 25 -0.768 12.766 30.192 1.00 0.00 C ATOM 1194 O ARG A 25 -1.785 12.665 29.535 1.00 0.00 O ATOM 1195 CB ARG A 25 0.874 14.478 29.409 1.00 0.00 C ATOM 1196 CG ARG A 25 2.282 14.699 28.848 1.00 0.00 C ATOM 1197 CD ARG A 25 2.569 16.201 28.794 1.00 0.00 C ATOM 1198 NE ARG A 25 1.552 16.875 27.941 1.00 0.00 N ATOM 1199 CZ ARG A 25 1.344 18.157 28.067 1.00 0.00 C ATOM 1200 NH1 ARG A 25 2.015 18.845 28.952 1.00 0.00 N ATOM 1201 NH2 ARG A 25 0.457 18.751 27.318 1.00 0.00 N ATOM 0 H ARG A 25 -0.277 12.538 27.624 1.00 0.00 H new ATOM 0 HA ARG A 25 1.376 12.517 30.123 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.136 14.947 28.759 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.784 14.951 30.387 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.020 14.197 29.475 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.362 14.265 27.851 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.551 16.621 29.800 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.568 16.376 28.394 1.00 0.00 H new ATOM 0 HE ARG A 25 1.019 16.336 27.259 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.702 18.380 29.545 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.852 19.847 29.050 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.075 18.213 26.633 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.295 19.753 27.417 1.00 0.00 H new ATOM 1215 N ASN A 26 -0.791 12.681 31.495 1.00 0.00 N ATOM 1216 CA ASN A 26 -2.080 12.461 32.217 1.00 0.00 C ATOM 1217 C ASN A 26 -2.699 13.819 32.584 1.00 0.00 C ATOM 1218 O ASN A 26 -1.990 14.713 32.993 1.00 0.00 O ATOM 1219 CB ASN A 26 -1.795 11.682 33.504 1.00 0.00 C ATOM 1220 CG ASN A 26 -3.098 11.104 34.060 1.00 0.00 C ATOM 1221 OD1 ASN A 26 -3.645 11.620 35.014 1.00 0.00 O ATOM 1222 ND2 ASN A 26 -3.623 10.047 33.500 1.00 0.00 N ATOM 0 H ASN A 26 0.031 12.755 32.094 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.769 11.904 31.582 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.086 10.878 33.304 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.333 12.338 34.242 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.492 9.655 33.864 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.164 9.613 32.699 1.00 0.00 H new ATOM 1229 N PRO A 27 -3.997 13.986 32.461 1.00 0.00 N ATOM 1230 CA PRO A 27 -4.669 15.267 32.827 1.00 0.00 C ATOM 1231 C PRO A 27 -4.127 15.881 34.130 1.00 0.00 C ATOM 1232 O PRO A 27 -4.409 17.020 34.446 1.00 0.00 O ATOM 1233 CB PRO A 27 -6.136 14.859 32.998 1.00 0.00 C ATOM 1234 CG PRO A 27 -6.330 13.703 32.068 1.00 0.00 C ATOM 1235 CD PRO A 27 -4.969 13.000 31.948 1.00 0.00 C ATOM 0 HA PRO A 27 -4.505 16.036 32.072 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.349 14.576 34.029 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.806 15.682 32.749 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.086 13.019 32.453 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.676 14.045 31.093 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.945 12.079 32.531 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.752 12.729 30.915 1.00 0.00 H new ATOM 1243 N GLU A 28 -3.350 15.144 34.887 1.00 0.00 N ATOM 1244 CA GLU A 28 -2.792 15.689 36.166 1.00 0.00 C ATOM 1245 C GLU A 28 -1.343 16.140 35.946 1.00 0.00 C ATOM 1246 O GLU A 28 -0.655 16.529 36.868 1.00 0.00 O ATOM 1247 CB GLU A 28 -2.822 14.600 37.242 1.00 0.00 C ATOM 1248 CG GLU A 28 -4.274 14.271 37.599 1.00 0.00 C ATOM 1249 CD GLU A 28 -4.301 13.181 38.672 1.00 0.00 C ATOM 1250 OE1 GLU A 28 -3.235 12.784 39.112 1.00 0.00 O ATOM 1251 OE2 GLU A 28 -5.388 12.758 39.032 1.00 0.00 O ATOM 0 H GLU A 28 -3.077 14.185 34.673 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.394 16.539 36.487 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.314 13.705 36.883 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.286 14.936 38.129 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.782 15.165 37.961 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.811 13.936 36.712 1.00 0.00 H new ATOM 1258 N GLY A 29 -0.879 16.096 34.725 1.00 0.00 N ATOM 1259 CA GLY A 29 0.518 16.530 34.425 1.00 0.00 C ATOM 1260 C GLY A 29 1.522 15.401 34.688 1.00 0.00 C ATOM 1261 O GLY A 29 2.711 15.637 34.768 1.00 0.00 O ATOM 0 H GLY A 29 -1.412 15.776 33.916 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.587 16.846 33.384 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.772 17.395 35.038 1.00 0.00 H new ATOM 1265 N GLN A 30 1.074 14.178 34.807 1.00 0.00 N ATOM 1266 CA GLN A 30 2.031 13.053 35.044 1.00 0.00 C ATOM 1267 C GLN A 30 2.412 12.428 33.689 1.00 0.00 C ATOM 1268 O GLN A 30 1.571 11.845 33.034 1.00 0.00 O ATOM 1269 CB GLN A 30 1.360 11.987 35.912 1.00 0.00 C ATOM 1270 CG GLN A 30 0.956 12.604 37.251 1.00 0.00 C ATOM 1271 CD GLN A 30 0.248 11.550 38.106 1.00 0.00 C ATOM 1272 OE1 GLN A 30 -0.149 11.823 39.220 1.00 0.00 O ATOM 1273 NE2 GLN A 30 0.074 10.349 37.625 1.00 0.00 N ATOM 0 H GLN A 30 0.092 13.909 34.751 1.00 0.00 H new ATOM 0 HA GLN A 30 2.921 13.429 35.548 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.483 11.587 35.404 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.042 11.152 36.074 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.837 12.978 37.772 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.297 13.457 37.087 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.408 10.121 36.689 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.396 9.638 38.186 1.00 0.00 H new ATOM 1282 N PRO A 31 3.647 12.534 33.252 1.00 0.00 N ATOM 1283 CA PRO A 31 4.066 11.949 31.943 1.00 0.00 C ATOM 1284 C PRO A 31 3.620 10.489 31.769 1.00 0.00 C ATOM 1285 O PRO A 31 3.730 9.682 32.670 1.00 0.00 O ATOM 1286 CB PRO A 31 5.598 12.040 31.969 1.00 0.00 C ATOM 1287 CG PRO A 31 5.908 13.172 32.894 1.00 0.00 C ATOM 1288 CD PRO A 31 4.773 13.216 33.923 1.00 0.00 C ATOM 0 HA PRO A 31 3.609 12.483 31.109 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.042 11.109 32.323 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.998 12.225 30.972 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.870 13.021 33.384 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.973 14.113 32.348 1.00 0.00 H new ATOM 0 HD2 PRO A 31 5.053 12.708 34.846 1.00 0.00 H new ATOM 0 HD3 PRO A 31 4.516 14.241 34.189 1.00 0.00 H new ATOM 1296 N LEU A 32 3.152 10.149 30.595 1.00 0.00 N ATOM 1297 CA LEU A 32 2.725 8.746 30.303 1.00 0.00 C ATOM 1298 C LEU A 32 3.370 8.342 28.982 1.00 0.00 C ATOM 1299 O LEU A 32 3.734 9.190 28.191 1.00 0.00 O ATOM 1300 CB LEU A 32 1.203 8.659 30.132 1.00 0.00 C ATOM 1301 CG LEU A 32 0.465 8.952 31.440 1.00 0.00 C ATOM 1302 CD1 LEU A 32 -1.036 8.774 31.192 1.00 0.00 C ATOM 1303 CD2 LEU A 32 0.918 7.988 32.547 1.00 0.00 C ATOM 0 H LEU A 32 3.046 10.795 29.813 1.00 0.00 H new ATOM 0 HA LEU A 32 3.023 8.097 31.127 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.882 9.367 29.368 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.934 7.664 29.778 1.00 0.00 H new ATOM 0 HG LEU A 32 0.686 9.970 31.762 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.584 8.978 32.112 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.361 9.466 30.415 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.233 7.751 30.872 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.381 8.214 33.468 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.706 6.962 32.245 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.989 8.103 32.714 1.00 0.00 H new ATOM 1315 N CYS A 33 3.488 7.072 28.695 1.00 0.00 N ATOM 1316 CA CYS A 33 4.078 6.675 27.386 1.00 0.00 C ATOM 1317 C CYS A 33 2.959 6.642 26.341 1.00 0.00 C ATOM 1318 O CYS A 33 2.082 7.480 26.342 1.00 0.00 O ATOM 1319 CB CYS A 33 4.757 5.307 27.497 1.00 0.00 C ATOM 1320 SG CYS A 33 3.546 4.016 27.863 1.00 0.00 S ATOM 0 H CYS A 33 3.205 6.303 29.302 1.00 0.00 H new ATOM 0 HA CYS A 33 4.838 7.396 27.087 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.272 5.075 26.565 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.514 5.334 28.281 1.00 0.00 H new ATOM 0 HG CYS A 33 3.134 3.480 26.753 1.00 0.00 H new ATOM 1325 N ASN A 34 2.980 5.700 25.440 1.00 0.00 N ATOM 1326 CA ASN A 34 1.913 5.651 24.397 1.00 0.00 C ATOM 1327 C ASN A 34 0.632 4.973 24.911 1.00 0.00 C ATOM 1328 O ASN A 34 -0.394 5.604 25.057 1.00 0.00 O ATOM 1329 CB ASN A 34 2.438 4.895 23.175 1.00 0.00 C ATOM 1330 CG ASN A 34 2.969 3.524 23.599 1.00 0.00 C ATOM 1331 OD1 ASN A 34 3.052 3.229 24.775 1.00 0.00 O ATOM 1332 ND2 ASN A 34 3.331 2.667 22.684 1.00 0.00 N ATOM 0 H ASN A 34 3.685 4.965 25.379 1.00 0.00 H new ATOM 0 HA ASN A 34 1.657 6.677 24.131 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.641 4.775 22.441 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.230 5.469 22.694 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.684 1.749 22.956 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.261 2.915 21.697 1.00 0.00 H new ATOM 1339 N ALA A 35 0.669 3.685 25.131 1.00 0.00 N ATOM 1340 CA ALA A 35 -0.555 2.941 25.566 1.00 0.00 C ATOM 1341 C ALA A 35 -1.106 3.416 26.919 1.00 0.00 C ATOM 1342 O ALA A 35 -2.298 3.362 27.148 1.00 0.00 O ATOM 1343 CB ALA A 35 -0.219 1.451 25.650 1.00 0.00 C ATOM 0 H ALA A 35 1.504 3.108 25.027 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.333 3.133 24.827 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.102 0.896 25.966 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.102 1.095 24.671 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.583 1.299 26.373 1.00 0.00 H new ATOM 1349 N CYS A 36 -0.279 3.843 27.833 1.00 0.00 N ATOM 1350 CA CYS A 36 -0.813 4.267 29.166 1.00 0.00 C ATOM 1351 C CYS A 36 -1.843 5.394 29.010 1.00 0.00 C ATOM 1352 O CYS A 36 -2.970 5.282 29.450 1.00 0.00 O ATOM 1353 CB CYS A 36 0.335 4.761 30.050 1.00 0.00 C ATOM 1354 SG CYS A 36 1.263 3.355 30.708 1.00 0.00 S ATOM 0 H CYS A 36 0.732 3.918 27.721 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.297 3.406 29.627 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.998 5.406 29.472 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.059 5.362 30.869 1.00 0.00 H new ATOM 0 HG CYS A 36 2.467 3.736 31.016 1.00 0.00 H new ATOM 1359 N GLY A 37 -1.467 6.476 28.389 1.00 0.00 N ATOM 1360 CA GLY A 37 -2.424 7.606 28.209 1.00 0.00 C ATOM 1361 C GLY A 37 -3.618 7.161 27.361 1.00 0.00 C ATOM 1362 O GLY A 37 -4.745 7.538 27.613 1.00 0.00 O ATOM 0 H GLY A 37 -0.538 6.628 27.997 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.770 7.957 29.181 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.921 8.445 27.729 1.00 0.00 H new ATOM 1366 N LEU A 38 -3.377 6.382 26.345 1.00 0.00 N ATOM 1367 CA LEU A 38 -4.484 5.926 25.455 1.00 0.00 C ATOM 1368 C LEU A 38 -5.432 4.942 26.156 1.00 0.00 C ATOM 1369 O LEU A 38 -6.628 4.981 25.956 1.00 0.00 O ATOM 1370 CB LEU A 38 -3.869 5.224 24.240 1.00 0.00 C ATOM 1371 CG LEU A 38 -3.059 6.220 23.396 1.00 0.00 C ATOM 1372 CD1 LEU A 38 -2.153 5.443 22.437 1.00 0.00 C ATOM 1373 CD2 LEU A 38 -3.996 7.122 22.579 1.00 0.00 C ATOM 0 H LEU A 38 -2.452 6.037 26.089 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.065 6.802 25.168 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.224 4.410 24.571 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.657 4.780 23.632 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.462 6.842 24.063 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.575 6.144 21.835 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.474 4.811 23.010 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.764 4.821 21.783 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.404 7.821 21.988 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.604 6.508 21.914 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.646 7.678 23.254 1.00 0.00 H new ATOM 1385 N PHE A 39 -4.918 4.038 26.944 1.00 0.00 N ATOM 1386 CA PHE A 39 -5.811 3.034 27.604 1.00 0.00 C ATOM 1387 C PHE A 39 -6.528 3.611 28.828 1.00 0.00 C ATOM 1388 O PHE A 39 -7.718 3.432 28.997 1.00 0.00 O ATOM 1389 CB PHE A 39 -4.990 1.823 28.043 1.00 0.00 C ATOM 1390 CG PHE A 39 -5.923 0.742 28.540 1.00 0.00 C ATOM 1391 CD1 PHE A 39 -6.383 0.766 29.863 1.00 0.00 C ATOM 1392 CD2 PHE A 39 -6.328 -0.286 27.681 1.00 0.00 C ATOM 1393 CE1 PHE A 39 -7.246 -0.235 30.325 1.00 0.00 C ATOM 1394 CE2 PHE A 39 -7.189 -1.290 28.144 1.00 0.00 C ATOM 1395 CZ PHE A 39 -7.648 -1.263 29.466 1.00 0.00 C ATOM 0 H PHE A 39 -3.925 3.948 27.161 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.565 2.745 26.872 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.395 1.451 27.209 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.292 2.108 28.831 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.071 1.558 30.528 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.977 -0.306 26.660 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.601 -0.213 31.345 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.498 -2.084 27.481 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.313 -2.036 29.823 1.00 0.00 H new ATOM 1405 N LEU A 40 -5.815 4.253 29.707 1.00 0.00 N ATOM 1406 CA LEU A 40 -6.465 4.778 30.942 1.00 0.00 C ATOM 1407 C LEU A 40 -7.571 5.772 30.568 1.00 0.00 C ATOM 1408 O LEU A 40 -8.689 5.671 31.033 1.00 0.00 O ATOM 1409 CB LEU A 40 -5.397 5.471 31.798 1.00 0.00 C ATOM 1410 CG LEU A 40 -5.944 5.810 33.193 1.00 0.00 C ATOM 1411 CD1 LEU A 40 -6.107 4.533 34.037 1.00 0.00 C ATOM 1412 CD2 LEU A 40 -4.959 6.753 33.892 1.00 0.00 C ATOM 0 H LEU A 40 -4.815 4.438 29.627 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.914 3.960 31.505 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.525 4.823 31.893 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.064 6.383 31.302 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.919 6.285 33.088 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.495 4.795 35.021 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.802 3.855 33.541 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.139 4.044 34.147 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.335 7.002 34.884 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.990 6.263 33.984 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.850 7.665 33.306 1.00 0.00 H new ATOM 1424 N LYS A 41 -7.273 6.724 29.728 1.00 0.00 N ATOM 1425 CA LYS A 41 -8.309 7.719 29.319 1.00 0.00 C ATOM 1426 C LYS A 41 -9.484 7.013 28.626 1.00 0.00 C ATOM 1427 O LYS A 41 -10.634 7.332 28.856 1.00 0.00 O ATOM 1428 CB LYS A 41 -7.664 8.733 28.370 1.00 0.00 C ATOM 1429 CG LYS A 41 -8.680 9.799 27.954 1.00 0.00 C ATOM 1430 CD LYS A 41 -7.996 10.804 27.022 1.00 0.00 C ATOM 1431 CE LYS A 41 -9.027 11.800 26.490 1.00 0.00 C ATOM 1432 NZ LYS A 41 -10.015 11.080 25.638 1.00 0.00 N ATOM 0 H LYS A 41 -6.355 6.858 29.305 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.696 8.231 30.200 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.811 9.205 28.858 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.282 8.221 27.486 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.528 9.335 27.450 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.073 10.309 28.834 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.208 11.333 27.558 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.521 10.280 26.193 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.535 12.292 27.319 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.531 12.580 25.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.460 11.751 24.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.530 10.336 25.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.745 10.650 26.241 1.00 0.00 H new ATOM 1446 N LEU A 42 -9.205 6.073 27.763 1.00 0.00 N ATOM 1447 CA LEU A 42 -10.305 5.366 27.038 1.00 0.00 C ATOM 1448 C LEU A 42 -11.101 4.459 27.985 1.00 0.00 C ATOM 1449 O LEU A 42 -12.291 4.284 27.817 1.00 0.00 O ATOM 1450 CB LEU A 42 -9.724 4.523 25.896 1.00 0.00 C ATOM 1451 CG LEU A 42 -9.193 5.435 24.779 1.00 0.00 C ATOM 1452 CD1 LEU A 42 -8.450 4.587 23.739 1.00 0.00 C ATOM 1453 CD2 LEU A 42 -10.354 6.184 24.096 1.00 0.00 C ATOM 0 H LEU A 42 -8.262 5.763 27.527 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.979 6.121 26.634 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.919 3.892 26.273 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.491 3.858 25.499 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.513 6.166 25.216 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.073 5.232 22.946 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.616 4.074 24.217 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.133 3.851 23.314 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.960 6.825 23.308 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.048 5.463 23.664 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.877 6.794 24.833 1.00 0.00 H new ATOM 1465 N HIS A 43 -10.467 3.854 28.954 1.00 0.00 N ATOM 1466 CA HIS A 43 -11.209 2.935 29.870 1.00 0.00 C ATOM 1467 C HIS A 43 -11.720 3.687 31.104 1.00 0.00 C ATOM 1468 O HIS A 43 -12.833 3.474 31.541 1.00 0.00 O ATOM 1469 CB HIS A 43 -10.264 1.805 30.287 1.00 0.00 C ATOM 1470 CG HIS A 43 -10.045 0.902 29.106 1.00 0.00 C ATOM 1471 ND1 HIS A 43 -9.321 1.305 27.996 1.00 0.00 N ATOM 1472 CD2 HIS A 43 -10.467 -0.376 28.837 1.00 0.00 C ATOM 1473 CE1 HIS A 43 -9.332 0.290 27.116 1.00 0.00 C ATOM 1474 NE2 HIS A 43 -10.017 -0.761 27.578 1.00 0.00 N ATOM 0 H HIS A 43 -9.471 3.955 29.152 1.00 0.00 H new ATOM 0 HA HIS A 43 -12.077 2.526 29.353 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -9.314 2.214 30.632 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -10.690 1.243 31.119 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -8.863 2.208 27.870 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.058 -0.989 29.501 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.846 0.319 26.152 1.00 0.00 H new ATOM 1482 N GLY A 44 -10.953 4.588 31.653 1.00 0.00 N ATOM 1483 CA GLY A 44 -11.445 5.364 32.830 1.00 0.00 C ATOM 1484 C GLY A 44 -11.611 4.470 34.065 1.00 0.00 C ATOM 1485 O GLY A 44 -12.295 4.834 35.001 1.00 0.00 O ATOM 0 H GLY A 44 -10.010 4.821 31.340 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.745 6.169 33.054 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.400 5.830 32.586 1.00 0.00 H new ATOM 1489 N VAL A 45 -10.999 3.314 34.089 1.00 0.00 N ATOM 1490 CA VAL A 45 -11.132 2.412 35.279 1.00 0.00 C ATOM 1491 C VAL A 45 -9.777 1.780 35.592 1.00 0.00 C ATOM 1492 O VAL A 45 -8.813 1.982 34.880 1.00 0.00 O ATOM 1493 CB VAL A 45 -12.152 1.308 34.988 1.00 0.00 C ATOM 1494 CG1 VAL A 45 -13.557 1.909 34.947 1.00 0.00 C ATOM 1495 CG2 VAL A 45 -11.839 0.661 33.637 1.00 0.00 C ATOM 0 H VAL A 45 -10.412 2.953 33.337 1.00 0.00 H new ATOM 0 HA VAL A 45 -11.472 2.997 36.134 1.00 0.00 H new ATOM 0 HB VAL A 45 -12.099 0.554 35.773 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -14.283 1.123 34.740 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -13.784 2.369 35.909 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -13.607 2.665 34.163 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.567 -0.124 33.432 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.889 1.415 32.852 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.838 0.230 33.663 1.00 0.00 H new ATOM 1505 N VAL A 46 -9.687 1.040 36.669 1.00 0.00 N ATOM 1506 CA VAL A 46 -8.381 0.419 37.044 1.00 0.00 C ATOM 1507 C VAL A 46 -7.721 -0.174 35.801 1.00 0.00 C ATOM 1508 O VAL A 46 -8.362 -0.782 34.966 1.00 0.00 O ATOM 1509 CB VAL A 46 -8.604 -0.680 38.085 1.00 0.00 C ATOM 1510 CG1 VAL A 46 -8.903 -0.045 39.445 1.00 0.00 C ATOM 1511 CG2 VAL A 46 -9.784 -1.558 37.662 1.00 0.00 C ATOM 0 H VAL A 46 -10.460 0.840 37.303 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.731 1.183 37.469 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.705 -1.293 38.160 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.062 -0.829 40.186 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.061 0.577 39.749 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.800 0.570 39.370 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.941 -2.340 38.405 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.683 -0.946 37.584 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.570 -2.014 36.695 1.00 0.00 H new ATOM 1521 N ARG A 47 -6.443 0.049 35.661 1.00 0.00 N ATOM 1522 CA ARG A 47 -5.699 -0.433 34.463 1.00 0.00 C ATOM 1523 C ARG A 47 -4.590 -1.402 34.890 1.00 0.00 C ATOM 1524 O ARG A 47 -3.519 -0.977 35.276 1.00 0.00 O ATOM 1525 CB ARG A 47 -5.071 0.807 33.821 1.00 0.00 C ATOM 1526 CG ARG A 47 -4.209 0.442 32.610 1.00 0.00 C ATOM 1527 CD ARG A 47 -3.562 1.723 32.087 1.00 0.00 C ATOM 1528 NE ARG A 47 -2.749 2.317 33.190 1.00 0.00 N ATOM 1529 CZ ARG A 47 -2.091 3.424 33.003 1.00 0.00 C ATOM 1530 NH1 ARG A 47 -2.237 4.084 31.887 1.00 0.00 N ATOM 1531 NH2 ARG A 47 -1.314 3.892 33.942 1.00 0.00 N ATOM 0 H ARG A 47 -5.873 0.554 36.339 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.360 -0.956 33.772 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.858 1.496 33.513 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.461 1.329 34.558 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.445 -0.283 32.891 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.819 -0.021 31.834 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.932 1.506 31.224 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.325 2.427 31.755 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.709 1.851 34.097 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.865 3.732 31.165 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.723 4.952 31.737 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.222 3.390 34.825 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.799 4.760 33.793 1.00 0.00 H new ATOM 1545 N PRO A 48 -4.816 -2.689 34.804 1.00 0.00 N ATOM 1546 CA PRO A 48 -3.777 -3.693 35.173 1.00 0.00 C ATOM 1547 C PRO A 48 -2.458 -3.407 34.449 1.00 0.00 C ATOM 1548 O PRO A 48 -2.282 -3.750 33.296 1.00 0.00 O ATOM 1549 CB PRO A 48 -4.388 -5.027 34.725 1.00 0.00 C ATOM 1550 CG PRO A 48 -5.863 -4.798 34.774 1.00 0.00 C ATOM 1551 CD PRO A 48 -6.064 -3.339 34.363 1.00 0.00 C ATOM 0 HA PRO A 48 -3.532 -3.683 36.235 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.061 -5.296 33.720 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -4.091 -5.841 35.386 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.387 -5.472 34.097 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -6.256 -4.982 35.774 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.211 -3.240 33.287 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.938 -2.902 34.846 1.00 0.00 H new ATOM 1559 N LEU A 49 -1.535 -2.768 35.115 1.00 0.00 N ATOM 1560 CA LEU A 49 -0.234 -2.445 34.463 1.00 0.00 C ATOM 1561 C LEU A 49 0.452 -3.742 34.032 1.00 0.00 C ATOM 1562 O LEU A 49 1.413 -3.731 33.289 1.00 0.00 O ATOM 1563 CB LEU A 49 0.673 -1.698 35.447 1.00 0.00 C ATOM 1564 CG LEU A 49 -0.027 -0.439 35.978 1.00 0.00 C ATOM 1565 CD1 LEU A 49 0.928 0.314 36.914 1.00 0.00 C ATOM 1566 CD2 LEU A 49 -0.439 0.474 34.813 1.00 0.00 C ATOM 0 H LEU A 49 -1.626 -2.456 36.082 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.417 -1.815 33.593 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.935 -2.353 36.278 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.605 -1.422 34.953 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.923 -0.732 36.525 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.435 1.209 37.294 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.203 -0.331 37.749 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.826 0.599 36.365 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.934 1.363 35.205 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.447 0.770 34.252 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.123 -0.062 34.155 1.00 0.00 H new ATOM 1578 N SER A 50 -0.034 -4.861 34.496 1.00 0.00 N ATOM 1579 CA SER A 50 0.586 -6.163 34.121 1.00 0.00 C ATOM 1580 C SER A 50 0.526 -6.346 32.603 1.00 0.00 C ATOM 1581 O SER A 50 1.144 -7.233 32.049 1.00 0.00 O ATOM 1582 CB SER A 50 -0.182 -7.299 34.800 1.00 0.00 C ATOM 1583 OG SER A 50 0.600 -8.484 34.764 1.00 0.00 O ATOM 0 H SER A 50 -0.837 -4.929 35.121 1.00 0.00 H new ATOM 0 HA SER A 50 1.627 -6.176 34.444 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.411 -7.032 35.832 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.134 -7.463 34.294 1.00 0.00 H new ATOM 0 HG SER A 50 1.052 -8.551 33.897 1.00 0.00 H new ATOM 1589 N LEU A 51 -0.227 -5.524 31.927 1.00 0.00 N ATOM 1590 CA LEU A 51 -0.343 -5.661 30.448 1.00 0.00 C ATOM 1591 C LEU A 51 0.893 -5.069 29.767 1.00 0.00 C ATOM 1592 O LEU A 51 1.139 -5.308 28.602 1.00 0.00 O ATOM 1593 CB LEU A 51 -1.592 -4.916 29.971 1.00 0.00 C ATOM 1594 CG LEU A 51 -2.840 -5.508 30.638 1.00 0.00 C ATOM 1595 CD1 LEU A 51 -4.070 -4.701 30.208 1.00 0.00 C ATOM 1596 CD2 LEU A 51 -3.014 -6.979 30.223 1.00 0.00 C ATOM 0 H LEU A 51 -0.768 -4.762 32.335 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.419 -6.717 30.190 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.508 -3.856 30.212 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.679 -4.990 28.887 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.728 -5.460 31.721 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.961 -5.117 30.679 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.949 -3.662 30.515 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.176 -4.749 29.124 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.903 -7.390 30.702 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.124 -7.041 29.140 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.139 -7.550 30.532 1.00 0.00 H new ATOM 1608 N LYS A 52 1.674 -4.299 30.474 1.00 0.00 N ATOM 1609 CA LYS A 52 2.886 -3.701 29.847 1.00 0.00 C ATOM 1610 C LYS A 52 3.754 -4.808 29.249 1.00 0.00 C ATOM 1611 O LYS A 52 3.823 -5.909 29.761 1.00 0.00 O ATOM 1612 CB LYS A 52 3.685 -2.928 30.904 1.00 0.00 C ATOM 1613 CG LYS A 52 4.941 -2.282 30.275 1.00 0.00 C ATOM 1614 CD LYS A 52 6.191 -3.127 30.558 1.00 0.00 C ATOM 1615 CE LYS A 52 7.432 -2.375 30.074 1.00 0.00 C ATOM 1616 NZ LYS A 52 7.626 -1.152 30.903 1.00 0.00 N ATOM 0 H LYS A 52 1.526 -4.059 31.454 1.00 0.00 H new ATOM 0 HA LYS A 52 2.583 -3.016 29.055 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.057 -2.156 31.349 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.980 -3.602 31.708 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.802 -2.180 29.199 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.078 -1.278 30.676 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.270 -3.333 31.625 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.115 -4.090 30.052 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.310 -3.017 30.143 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.319 -2.102 29.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.460 -0.631 30.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.785 -0.545 30.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.769 -1.425 31.896 1.00 0.00 H new ATOM 1630 N THR A 53 4.426 -4.517 28.167 1.00 0.00 N ATOM 1631 CA THR A 53 5.307 -5.532 27.521 1.00 0.00 C ATOM 1632 C THR A 53 6.523 -4.838 26.914 1.00 0.00 C ATOM 1633 O THR A 53 6.480 -3.677 26.560 1.00 0.00 O ATOM 1634 CB THR A 53 4.545 -6.256 26.414 1.00 0.00 C ATOM 1635 OG1 THR A 53 5.466 -6.952 25.586 1.00 0.00 O ATOM 1636 CG2 THR A 53 3.763 -5.239 25.580 1.00 0.00 C ATOM 0 H THR A 53 4.402 -3.611 27.699 1.00 0.00 H new ATOM 0 HA THR A 53 5.627 -6.253 28.273 1.00 0.00 H new ATOM 0 HB THR A 53 3.847 -6.968 26.856 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.979 -7.419 24.875 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.219 -5.757 24.790 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.057 -4.710 26.220 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.455 -4.524 25.135 1.00 0.00 H new ATOM 1644 N ASP A 54 7.614 -5.539 26.809 1.00 0.00 N ATOM 1645 CA ASP A 54 8.852 -4.924 26.243 1.00 0.00 C ATOM 1646 C ASP A 54 8.869 -5.094 24.724 1.00 0.00 C ATOM 1647 O ASP A 54 9.708 -4.539 24.043 1.00 0.00 O ATOM 1648 CB ASP A 54 10.073 -5.623 26.842 1.00 0.00 C ATOM 1649 CG ASP A 54 10.059 -5.455 28.362 1.00 0.00 C ATOM 1650 OD1 ASP A 54 9.199 -4.741 28.850 1.00 0.00 O ATOM 1651 OD2 ASP A 54 10.899 -6.054 29.013 1.00 0.00 O ATOM 0 H ASP A 54 7.706 -6.515 27.091 1.00 0.00 H new ATOM 0 HA ASP A 54 8.873 -3.861 26.485 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.064 -6.681 26.582 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.988 -5.201 26.427 1.00 0.00 H new ATOM 1656 N VAL A 55 7.951 -5.857 24.186 1.00 0.00 N ATOM 1657 CA VAL A 55 7.905 -6.073 22.707 1.00 0.00 C ATOM 1658 C VAL A 55 6.679 -5.364 22.129 1.00 0.00 C ATOM 1659 O VAL A 55 5.560 -5.603 22.538 1.00 0.00 O ATOM 1660 CB VAL A 55 7.800 -7.574 22.427 1.00 0.00 C ATOM 1661 CG1 VAL A 55 7.715 -7.813 20.918 1.00 0.00 C ATOM 1662 CG2 VAL A 55 9.039 -8.281 22.981 1.00 0.00 C ATOM 0 H VAL A 55 7.225 -6.344 24.712 1.00 0.00 H new ATOM 0 HA VAL A 55 8.808 -5.672 22.246 1.00 0.00 H new ATOM 0 HB VAL A 55 6.905 -7.969 22.907 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.640 -8.883 20.723 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.835 -7.309 20.519 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.609 -7.418 20.436 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.967 -9.350 22.783 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.932 -7.882 22.499 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.102 -8.115 24.056 1.00 0.00 H new ATOM 1672 N ILE A 56 6.890 -4.494 21.175 1.00 0.00 N ATOM 1673 CA ILE A 56 5.763 -3.746 20.539 1.00 0.00 C ATOM 1674 C ILE A 56 5.664 -4.138 19.064 1.00 0.00 C ATOM 1675 O ILE A 56 6.642 -4.130 18.343 1.00 0.00 O ATOM 1676 CB ILE A 56 6.018 -2.243 20.662 1.00 0.00 C ATOM 1677 CG1 ILE A 56 6.067 -1.866 22.145 1.00 0.00 C ATOM 1678 CG2 ILE A 56 4.897 -1.467 19.966 1.00 0.00 C ATOM 1679 CD1 ILE A 56 6.559 -0.426 22.296 1.00 0.00 C ATOM 0 H ILE A 56 7.812 -4.266 20.803 1.00 0.00 H new ATOM 0 HA ILE A 56 4.827 -3.993 21.040 1.00 0.00 H new ATOM 0 HB ILE A 56 6.967 -1.992 20.188 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.077 -1.971 22.589 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.730 -2.545 22.681 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.084 -0.397 20.057 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.865 -1.741 18.912 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.942 -1.709 20.433 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.592 -0.162 23.353 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.557 -0.336 21.868 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.879 0.248 21.775 1.00 0.00 H new ATOM 1691 N LYS A 57 4.491 -4.489 18.612 1.00 0.00 N ATOM 1692 CA LYS A 57 4.337 -4.889 17.184 1.00 0.00 C ATOM 1693 C LYS A 57 4.356 -3.642 16.297 1.00 0.00 C ATOM 1694 O LYS A 57 3.649 -2.683 16.537 1.00 0.00 O ATOM 1695 CB LYS A 57 3.011 -5.632 17.004 1.00 0.00 C ATOM 1696 CG LYS A 57 2.952 -6.227 15.597 1.00 0.00 C ATOM 1697 CD LYS A 57 1.629 -6.972 15.407 1.00 0.00 C ATOM 1698 CE LYS A 57 1.577 -7.558 13.996 1.00 0.00 C ATOM 1699 NZ LYS A 57 2.708 -8.511 13.809 1.00 0.00 N ATOM 0 H LYS A 57 3.636 -4.516 19.167 1.00 0.00 H new ATOM 0 HA LYS A 57 5.160 -5.544 16.898 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.920 -6.422 17.749 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.175 -4.950 17.158 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.045 -5.436 14.853 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.789 -6.908 15.444 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.537 -7.767 16.147 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.791 -6.293 15.562 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.627 -8.069 13.838 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.635 -6.759 13.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.489 -9.160 13.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.575 -7.981 13.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.850 -9.057 14.682 1.00 0.00 H new ATOM 1713 N LYS A 58 5.163 -3.651 15.269 1.00 0.00 N ATOM 1714 CA LYS A 58 5.238 -2.473 14.355 1.00 0.00 C ATOM 1715 C LYS A 58 4.143 -2.585 13.286 1.00 0.00 C ATOM 1716 O LYS A 58 3.990 -3.611 12.654 1.00 0.00 O ATOM 1717 CB LYS A 58 6.617 -2.445 13.685 1.00 0.00 C ATOM 1718 CG LYS A 58 7.661 -1.878 14.654 1.00 0.00 C ATOM 1719 CD LYS A 58 7.790 -2.794 15.875 1.00 0.00 C ATOM 1720 CE LYS A 58 9.065 -2.449 16.646 1.00 0.00 C ATOM 1721 NZ LYS A 58 9.148 -3.296 17.871 1.00 0.00 N ATOM 0 H LYS A 58 5.776 -4.427 15.022 1.00 0.00 H new ATOM 0 HA LYS A 58 5.091 -1.554 14.923 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.902 -3.452 13.379 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.579 -1.836 12.782 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.625 -1.788 14.152 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.371 -0.876 14.969 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.920 -2.679 16.522 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.816 -3.837 15.558 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.940 -2.614 16.017 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.063 -1.394 16.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.235 -2.687 18.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.288 -3.875 17.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.979 -3.918 17.808 1.00 0.00 H new ATOM 1735 N ARG A 59 3.375 -1.545 13.086 1.00 0.00 N ATOM 1736 CA ARG A 59 2.281 -1.597 12.065 1.00 0.00 C ATOM 1737 C ARG A 59 2.765 -0.953 10.760 1.00 0.00 C ATOM 1738 O ARG A 59 3.805 -0.327 10.711 1.00 0.00 O ATOM 1739 CB ARG A 59 1.062 -0.831 12.586 1.00 0.00 C ATOM 1740 CG ARG A 59 0.456 -1.572 13.781 1.00 0.00 C ATOM 1741 CD ARG A 59 -0.680 -0.736 14.376 1.00 0.00 C ATOM 1742 NE ARG A 59 -1.837 -0.717 13.436 1.00 0.00 N ATOM 1743 CZ ARG A 59 -2.995 -0.271 13.842 1.00 0.00 C ATOM 1744 NH1 ARG A 59 -3.124 0.189 15.056 1.00 0.00 N ATOM 1745 NH2 ARG A 59 -4.021 -0.277 13.035 1.00 0.00 N ATOM 0 H ARG A 59 3.457 -0.660 13.586 1.00 0.00 H new ATOM 0 HA ARG A 59 2.009 -2.636 11.879 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.353 0.177 12.881 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.319 -0.729 11.795 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.080 -2.545 13.466 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.221 -1.755 14.535 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.986 -1.152 15.336 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.336 0.281 14.564 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.724 -1.051 12.479 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.321 0.200 15.685 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.027 0.538 15.376 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.920 -0.631 12.084 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.924 0.072 13.356 1.00 0.00 H new ATOM 1759 N ASN A 60 2.031 -1.139 9.698 1.00 0.00 N ATOM 1760 CA ASN A 60 2.445 -0.583 8.375 1.00 0.00 C ATOM 1761 C ASN A 60 2.204 0.928 8.316 1.00 0.00 C ATOM 1762 O ASN A 60 1.927 1.567 9.312 1.00 0.00 O ATOM 1763 CB ASN A 60 1.635 -1.265 7.269 1.00 0.00 C ATOM 1764 CG ASN A 60 0.155 -0.918 7.438 1.00 0.00 C ATOM 1765 OD1 ASN A 60 -0.628 -1.077 6.522 1.00 0.00 O ATOM 1766 ND2 ASN A 60 -0.263 -0.449 8.582 1.00 0.00 N ATOM 0 H ASN A 60 1.153 -1.658 9.688 1.00 0.00 H new ATOM 0 HA ASN A 60 3.510 -0.770 8.237 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.987 -0.938 6.291 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.774 -2.345 7.314 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.248 -0.215 8.708 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.395 -0.316 9.350 1.00 0.00 H new