USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 259 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 Single : A 1 VAL N :NH3+ 148:sc= -1.54! (180deg=-2.08!) USER MOD Single : A 5 GLN : amide:sc= -1.94! C(o=-1.9!,f=-2.1!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.167 USER MOD Single : A 18 LYS NZ :NH3+ -133:sc= -2.33! (180deg=-5.13!) USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= -0.0212 (180deg=-0.294) USER MOD Single : A 23 LYS NZ :NH3+ -147:sc= -5.24! (180deg=-5.79!) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.317 USER MOD Single : A 27 LYS NZ :NH3+ -134:sc= -1.73! (180deg=-4.56!) USER MOD Single : A 29 THR OG1 : rot -170:sc= -0.071 USER MOD Single : A 30 ASN : amide:sc= -0.858 K(o=-0.86,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 3.382 -6.753 5.877 1.00 1.00 N ATOM 2 CA VAL A 1 3.560 -6.404 7.324 1.00 1.00 C ATOM 3 C VAL A 1 3.837 -4.897 7.433 1.00 1.00 C ATOM 4 O VAL A 1 4.099 -4.234 6.448 1.00 1.00 O ATOM 5 CB VAL A 1 4.760 -7.173 7.916 1.00 1.00 C ATOM 6 CG1 VAL A 1 4.863 -7.031 9.456 1.00 1.00 C ATOM 7 CG2 VAL A 1 4.703 -8.680 7.555 1.00 1.00 C ATOM 0 H1 VAL A 1 3.726 -7.720 5.708 1.00 1.00 H new ATOM 0 H2 VAL A 1 2.374 -6.695 5.627 1.00 1.00 H new ATOM 0 H3 VAL A 1 3.923 -6.086 5.290 1.00 1.00 H new ATOM 0 HA VAL A 1 2.658 -6.673 7.873 1.00 1.00 H new ATOM 0 HB VAL A 1 5.646 -6.721 7.469 1.00 1.00 H new ATOM 0 HG11 VAL A 1 5.725 -7.592 9.816 1.00 1.00 H new ATOM 0 HG12 VAL A 1 4.980 -5.979 9.717 1.00 1.00 H new ATOM 0 HG13 VAL A 1 3.957 -7.421 9.919 1.00 1.00 H new ATOM 0 HG21 VAL A 1 5.563 -9.191 7.988 1.00 1.00 H new ATOM 0 HG22 VAL A 1 3.785 -9.115 7.952 1.00 1.00 H new ATOM 0 HG23 VAL A 1 4.720 -8.795 6.471 1.00 1.00 H new ATOM 19 N VAL A 2 3.764 -4.402 8.637 1.00 1.00 N ATOM 20 CA VAL A 2 4.021 -2.956 8.889 1.00 1.00 C ATOM 21 C VAL A 2 5.517 -2.687 8.703 1.00 1.00 C ATOM 22 O VAL A 2 6.338 -3.223 9.421 1.00 1.00 O ATOM 23 CB VAL A 2 3.517 -2.639 10.335 1.00 1.00 C ATOM 24 CG1 VAL A 2 4.144 -3.562 11.412 1.00 1.00 C ATOM 25 CG2 VAL A 2 3.789 -1.164 10.720 1.00 1.00 C ATOM 0 H VAL A 2 3.534 -4.946 9.469 1.00 1.00 H new ATOM 0 HA VAL A 2 3.491 -2.306 8.193 1.00 1.00 H new ATOM 0 HB VAL A 2 2.443 -2.823 10.313 1.00 1.00 H new ATOM 0 HG11 VAL A 2 3.755 -3.292 12.394 1.00 1.00 H new ATOM 0 HG12 VAL A 2 3.891 -4.600 11.194 1.00 1.00 H new ATOM 0 HG13 VAL A 2 5.228 -3.444 11.406 1.00 1.00 H new ATOM 0 HG21 VAL A 2 3.426 -0.979 11.731 1.00 1.00 H new ATOM 0 HG22 VAL A 2 4.861 -0.969 10.678 1.00 1.00 H new ATOM 0 HG23 VAL A 2 3.272 -0.505 10.023 1.00 1.00 H new ATOM 35 N ILE A 3 5.824 -1.864 7.729 1.00 1.00 N ATOM 36 CA ILE A 3 7.263 -1.533 7.457 1.00 1.00 C ATOM 37 C ILE A 3 7.545 -0.043 7.298 1.00 1.00 C ATOM 38 O ILE A 3 6.677 0.744 6.990 1.00 1.00 O ATOM 39 CB ILE A 3 7.745 -2.278 6.161 1.00 1.00 C ATOM 40 CG1 ILE A 3 7.058 -1.758 4.862 1.00 1.00 C ATOM 41 CG2 ILE A 3 7.371 -3.746 6.334 1.00 1.00 C ATOM 42 CD1 ILE A 3 7.697 -2.402 3.610 1.00 1.00 C ATOM 0 H ILE A 3 5.149 -1.410 7.114 1.00 1.00 H new ATOM 0 HA ILE A 3 7.812 -1.865 8.338 1.00 1.00 H new ATOM 0 HB ILE A 3 8.816 -2.111 6.047 1.00 1.00 H new ATOM 0 HG12 ILE A 3 5.993 -1.987 4.891 1.00 1.00 H new ATOM 0 HG13 ILE A 3 7.149 -0.673 4.806 1.00 1.00 H new ATOM 0 HG21 ILE A 3 7.687 -4.308 5.455 1.00 1.00 H new ATOM 0 HG22 ILE A 3 7.867 -4.146 7.218 1.00 1.00 H new ATOM 0 HG23 ILE A 3 6.291 -3.835 6.453 1.00 1.00 H new ATOM 0 HD11 ILE A 3 7.203 -2.025 2.715 1.00 1.00 H new ATOM 0 HD12 ILE A 3 8.757 -2.151 3.572 1.00 1.00 H new ATOM 0 HD13 ILE A 3 7.583 -3.485 3.659 1.00 1.00 H new ATOM 54 N GLY A 4 8.799 0.241 7.523 1.00 1.00 N ATOM 55 CA GLY A 4 9.329 1.628 7.430 1.00 1.00 C ATOM 56 C GLY A 4 9.032 2.251 6.068 1.00 1.00 C ATOM 57 O GLY A 4 8.704 3.417 6.021 1.00 1.00 O ATOM 0 H GLY A 4 9.499 -0.456 7.776 1.00 1.00 H new ATOM 0 HA2 GLY A 4 8.887 2.241 8.216 1.00 1.00 H new ATOM 0 HA3 GLY A 4 10.406 1.619 7.600 1.00 1.00 H new ATOM 61 N GLN A 5 9.163 1.442 5.033 1.00 1.00 N ATOM 62 CA GLN A 5 8.918 1.869 3.612 1.00 1.00 C ATOM 63 C GLN A 5 7.892 3.011 3.541 1.00 1.00 C ATOM 64 O GLN A 5 6.697 2.779 3.567 1.00 1.00 O ATOM 65 CB GLN A 5 8.437 0.641 2.803 1.00 1.00 C ATOM 66 CG GLN A 5 8.579 0.854 1.277 1.00 1.00 C ATOM 67 CD GLN A 5 7.674 1.985 0.773 1.00 1.00 C ATOM 68 OE1 GLN A 5 6.464 1.911 0.850 1.00 1.00 O ATOM 69 NE2 GLN A 5 8.223 3.049 0.250 1.00 1.00 N ATOM 0 H GLN A 5 9.441 0.465 5.123 1.00 1.00 H new ATOM 0 HA GLN A 5 9.846 2.250 3.185 1.00 1.00 H new ATOM 0 HB2 GLN A 5 9.012 -0.236 3.101 1.00 1.00 H new ATOM 0 HB3 GLN A 5 7.394 0.435 3.044 1.00 1.00 H new ATOM 0 HG2 GLN A 5 9.617 1.085 1.037 1.00 1.00 H new ATOM 0 HG3 GLN A 5 8.330 -0.070 0.756 1.00 1.00 H new ATOM 0 HE21 GLN A 5 9.238 3.118 0.182 1.00 1.00 H new ATOM 0 HE22 GLN A 5 7.636 3.811 -0.090 1.00 1.00 H new ATOM 78 N ARG A 6 8.422 4.205 3.467 1.00 1.00 N ATOM 79 CA ARG A 6 7.586 5.442 3.394 1.00 1.00 C ATOM 80 C ARG A 6 6.337 5.313 2.513 1.00 1.00 C ATOM 81 O ARG A 6 6.355 4.649 1.494 1.00 1.00 O ATOM 82 CB ARG A 6 8.472 6.597 2.877 1.00 1.00 C ATOM 83 CG ARG A 6 8.957 6.303 1.439 1.00 1.00 C ATOM 84 CD ARG A 6 9.929 7.400 0.972 1.00 1.00 C ATOM 85 NE ARG A 6 11.122 7.391 1.870 1.00 1.00 N ATOM 86 CZ ARG A 6 12.306 7.136 1.385 1.00 1.00 C ATOM 87 NH1 ARG A 6 12.677 5.892 1.257 1.00 1.00 N ATOM 88 NH2 ARG A 6 13.077 8.132 1.041 1.00 1.00 N ATOM 0 H ARG A 6 9.427 4.378 3.454 1.00 1.00 H new ATOM 0 HA ARG A 6 7.213 5.634 4.400 1.00 1.00 H new ATOM 0 HB2 ARG A 6 7.910 7.531 2.894 1.00 1.00 H new ATOM 0 HB3 ARG A 6 9.329 6.729 3.537 1.00 1.00 H new ATOM 0 HG2 ARG A 6 9.450 5.331 1.405 1.00 1.00 H new ATOM 0 HG3 ARG A 6 8.104 6.251 0.763 1.00 1.00 H new ATOM 0 HD2 ARG A 6 10.231 7.224 -0.060 1.00 1.00 H new ATOM 0 HD3 ARG A 6 9.442 8.375 1.000 1.00 1.00 H new ATOM 0 HE ARG A 6 11.011 7.585 2.865 1.00 1.00 H new ATOM 0 HH11 ARG A 6 12.045 5.140 1.534 1.00 1.00 H new ATOM 0 HH12 ARG A 6 13.599 5.671 0.880 1.00 1.00 H new ATOM 0 HH21 ARG A 6 12.751 9.092 1.153 1.00 1.00 H new ATOM 0 HH22 ARG A 6 14.006 7.950 0.660 1.00 1.00 H new ATOM 102 N CYS A 7 5.285 5.961 2.944 1.00 1.00 N ATOM 103 CA CYS A 7 4.010 5.918 2.181 1.00 1.00 C ATOM 104 C CYS A 7 3.490 7.326 1.922 1.00 1.00 C ATOM 105 O CYS A 7 3.829 8.258 2.623 1.00 1.00 O ATOM 106 CB CYS A 7 2.997 5.091 2.979 1.00 1.00 C ATOM 107 SG CYS A 7 2.556 5.635 4.644 1.00 1.00 S ATOM 0 H CYS A 7 5.258 6.520 3.797 1.00 1.00 H new ATOM 0 HA CYS A 7 4.173 5.453 1.209 1.00 1.00 H new ATOM 0 HB2 CYS A 7 2.079 5.038 2.394 1.00 1.00 H new ATOM 0 HB3 CYS A 7 3.385 4.075 3.055 1.00 1.00 H new ATOM 112 N TYR A 8 2.669 7.418 0.907 1.00 1.00 N ATOM 113 CA TYR A 8 2.052 8.718 0.501 1.00 1.00 C ATOM 114 C TYR A 8 0.547 8.506 0.612 1.00 1.00 C ATOM 115 O TYR A 8 -0.137 9.219 1.314 1.00 1.00 O ATOM 116 CB TYR A 8 2.458 9.000 -0.928 1.00 1.00 C ATOM 117 CG TYR A 8 2.265 10.483 -1.292 1.00 1.00 C ATOM 118 CD1 TYR A 8 1.002 11.046 -1.343 1.00 1.00 C ATOM 119 CD2 TYR A 8 3.359 11.273 -1.578 1.00 1.00 C ATOM 120 CE1 TYR A 8 0.843 12.375 -1.673 1.00 1.00 C ATOM 121 CE2 TYR A 8 3.197 12.604 -1.909 1.00 1.00 C ATOM 122 CZ TYR A 8 1.939 13.162 -1.960 1.00 1.00 C ATOM 123 OH TYR A 8 1.780 14.492 -2.290 1.00 1.00 O ATOM 0 H TYR A 8 2.393 6.625 0.328 1.00 1.00 H new ATOM 0 HA TYR A 8 2.366 9.561 1.117 1.00 1.00 H new ATOM 0 HB2 TYR A 8 3.502 8.723 -1.071 1.00 1.00 H new ATOM 0 HB3 TYR A 8 1.868 8.380 -1.603 1.00 1.00 H new ATOM 0 HD1 TYR A 8 0.135 10.440 -1.123 1.00 1.00 H new ATOM 0 HD2 TYR A 8 4.351 10.847 -1.543 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -0.148 12.804 -1.707 1.00 1.00 H new ATOM 0 HE2 TYR A 8 4.063 13.211 -2.129 1.00 1.00 H new ATOM 0 HH TYR A 8 2.657 14.894 -2.460 1.00 1.00 H new ATOM 133 N ARG A 9 0.117 7.506 -0.104 1.00 1.00 N ATOM 134 CA ARG A 9 -1.323 7.135 -0.129 1.00 1.00 C ATOM 135 C ARG A 9 -1.464 5.823 0.642 1.00 1.00 C ATOM 136 O ARG A 9 -0.490 5.118 0.821 1.00 1.00 O ATOM 137 CB ARG A 9 -1.834 6.871 -1.571 1.00 1.00 C ATOM 138 CG ARG A 9 -1.240 7.831 -2.625 1.00 1.00 C ATOM 139 CD ARG A 9 0.005 7.189 -3.258 1.00 1.00 C ATOM 140 NE ARG A 9 0.548 8.130 -4.287 1.00 1.00 N ATOM 141 CZ ARG A 9 1.763 8.600 -4.187 1.00 1.00 C ATOM 142 NH1 ARG A 9 2.763 7.772 -4.096 1.00 1.00 N ATOM 143 NH2 ARG A 9 1.934 9.893 -4.180 1.00 1.00 N ATOM 0 H ARG A 9 0.716 6.919 -0.684 1.00 1.00 H new ATOM 0 HA ARG A 9 -1.899 7.955 0.300 1.00 1.00 H new ATOM 0 HB2 ARG A 9 -1.594 5.845 -1.850 1.00 1.00 H new ATOM 0 HB3 ARG A 9 -2.920 6.959 -1.584 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -1.981 8.048 -3.394 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -0.976 8.781 -2.160 1.00 1.00 H new ATOM 0 HD2 ARG A 9 0.757 6.986 -2.495 1.00 1.00 H new ATOM 0 HD3 ARG A 9 -0.252 6.233 -3.715 1.00 1.00 H new ATOM 0 HE ARG A 9 -0.037 8.408 -5.075 1.00 1.00 H new ATOM 0 HH11 ARG A 9 2.594 6.766 -4.103 1.00 1.00 H new ATOM 0 HH12 ARG A 9 3.715 8.129 -4.018 1.00 1.00 H new ATOM 0 HH21 ARG A 9 1.128 10.514 -4.252 1.00 1.00 H new ATOM 0 HH22 ARG A 9 2.873 10.283 -4.103 1.00 1.00 H new ATOM 157 N SER A 10 -2.671 5.566 1.070 1.00 1.00 N ATOM 158 CA SER A 10 -2.991 4.324 1.846 1.00 1.00 C ATOM 159 C SER A 10 -2.172 3.103 1.387 1.00 1.00 C ATOM 160 O SER A 10 -1.485 2.522 2.204 1.00 1.00 O ATOM 161 CB SER A 10 -4.496 4.003 1.718 1.00 1.00 C ATOM 162 OG SER A 10 -5.157 5.092 2.348 1.00 1.00 O ATOM 0 H SER A 10 -3.471 6.179 0.912 1.00 1.00 H new ATOM 0 HA SER A 10 -2.726 4.523 2.884 1.00 1.00 H new ATOM 0 HB2 SER A 10 -4.793 3.912 0.673 1.00 1.00 H new ATOM 0 HB3 SER A 10 -4.741 3.058 2.203 1.00 1.00 H new ATOM 0 HG SER A 10 -6.127 4.956 2.303 1.00 1.00 H new ATOM 168 N PRO A 11 -2.245 2.738 0.124 1.00 1.00 N ATOM 169 CA PRO A 11 -1.406 1.638 -0.409 1.00 1.00 C ATOM 170 C PRO A 11 0.082 1.960 -0.260 1.00 1.00 C ATOM 171 O PRO A 11 0.641 1.661 0.770 1.00 1.00 O ATOM 172 CB PRO A 11 -1.884 1.501 -1.868 1.00 1.00 C ATOM 173 CG PRO A 11 -2.344 2.936 -2.207 1.00 1.00 C ATOM 174 CD PRO A 11 -3.110 3.312 -0.942 1.00 1.00 C ATOM 0 HA PRO A 11 -1.512 0.694 0.126 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -1.083 1.165 -2.527 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -2.697 0.781 -1.962 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -1.503 3.604 -2.392 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -2.976 2.966 -3.094 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -3.223 4.391 -0.839 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -4.112 2.884 -0.929 1.00 1.00 H new ATOM 182 N ASP A 12 0.661 2.562 -1.282 1.00 1.00 N ATOM 183 CA ASP A 12 2.113 2.949 -1.338 1.00 1.00 C ATOM 184 C ASP A 12 2.938 1.900 -0.560 1.00 1.00 C ATOM 185 O ASP A 12 3.882 2.171 0.148 1.00 1.00 O ATOM 186 CB ASP A 12 2.241 4.363 -0.718 1.00 1.00 C ATOM 187 CG ASP A 12 3.521 5.076 -1.206 1.00 1.00 C ATOM 188 OD1 ASP A 12 4.597 4.541 -0.990 1.00 1.00 O ATOM 189 OD2 ASP A 12 3.344 6.138 -1.781 1.00 1.00 O ATOM 0 H ASP A 12 0.150 2.814 -2.128 1.00 1.00 H new ATOM 0 HA ASP A 12 2.492 2.975 -2.360 1.00 1.00 H new ATOM 0 HB2 ASP A 12 1.367 4.959 -0.982 1.00 1.00 H new ATOM 0 HB3 ASP A 12 2.257 4.286 0.369 1.00 1.00 H new ATOM 194 N CYS A 13 2.470 0.706 -0.790 1.00 1.00 N ATOM 195 CA CYS A 13 3.014 -0.543 -0.201 1.00 1.00 C ATOM 196 C CYS A 13 2.334 -1.784 -0.831 1.00 1.00 C ATOM 197 O CYS A 13 2.929 -2.843 -0.854 1.00 1.00 O ATOM 198 CB CYS A 13 2.758 -0.528 1.291 1.00 1.00 C ATOM 199 SG CYS A 13 3.671 -1.742 2.274 1.00 1.00 S ATOM 0 H CYS A 13 1.675 0.541 -1.408 1.00 1.00 H new ATOM 0 HA CYS A 13 4.084 -0.598 -0.401 1.00 1.00 H new ATOM 0 HB2 CYS A 13 2.996 0.466 1.669 1.00 1.00 H new ATOM 0 HB3 CYS A 13 1.692 -0.686 1.457 1.00 1.00 H new ATOM 204 N TYR A 14 1.116 -1.627 -1.314 1.00 1.00 N ATOM 205 CA TYR A 14 0.330 -2.731 -1.960 1.00 1.00 C ATOM 206 C TYR A 14 1.210 -3.637 -2.815 1.00 1.00 C ATOM 207 O TYR A 14 1.226 -4.833 -2.620 1.00 1.00 O ATOM 208 CB TYR A 14 -0.752 -2.106 -2.858 1.00 1.00 C ATOM 209 CG TYR A 14 -2.110 -1.838 -2.169 1.00 1.00 C ATOM 210 CD1 TYR A 14 -2.296 -1.889 -0.801 1.00 1.00 C ATOM 211 CD2 TYR A 14 -3.195 -1.538 -2.973 1.00 1.00 C ATOM 212 CE1 TYR A 14 -3.541 -1.647 -0.260 1.00 1.00 C ATOM 213 CE2 TYR A 14 -4.436 -1.298 -2.429 1.00 1.00 C ATOM 214 CZ TYR A 14 -4.617 -1.351 -1.065 1.00 1.00 C ATOM 215 OH TYR A 14 -5.857 -1.108 -0.511 1.00 1.00 O ATOM 0 H TYR A 14 0.617 -0.738 -1.283 1.00 1.00 H new ATOM 0 HA TYR A 14 -0.110 -3.338 -1.169 1.00 1.00 H new ATOM 0 HB2 TYR A 14 -0.372 -1.164 -3.254 1.00 1.00 H new ATOM 0 HB3 TYR A 14 -0.919 -2.766 -3.710 1.00 1.00 H new ATOM 0 HD1 TYR A 14 -1.463 -2.119 -0.153 1.00 1.00 H new ATOM 0 HD2 TYR A 14 -3.066 -1.491 -4.044 1.00 1.00 H new ATOM 0 HE1 TYR A 14 -3.674 -1.690 0.811 1.00 1.00 H new ATOM 0 HE2 TYR A 14 -5.271 -1.067 -3.074 1.00 1.00 H new ATOM 0 HH TYR A 14 -6.501 -0.914 -1.224 1.00 1.00 H new ATOM 225 N SER A 15 1.904 -3.036 -3.740 1.00 1.00 N ATOM 226 CA SER A 15 2.808 -3.817 -4.641 1.00 1.00 C ATOM 227 C SER A 15 3.712 -4.750 -3.825 1.00 1.00 C ATOM 228 O SER A 15 3.817 -5.923 -4.124 1.00 1.00 O ATOM 229 CB SER A 15 3.656 -2.829 -5.465 1.00 1.00 C ATOM 230 OG SER A 15 4.326 -2.022 -4.503 1.00 1.00 O ATOM 0 H SER A 15 1.886 -2.031 -3.915 1.00 1.00 H new ATOM 0 HA SER A 15 2.210 -4.436 -5.310 1.00 1.00 H new ATOM 0 HB2 SER A 15 4.367 -3.356 -6.101 1.00 1.00 H new ATOM 0 HB3 SER A 15 3.030 -2.223 -6.120 1.00 1.00 H new ATOM 0 HG SER A 15 4.890 -1.366 -4.963 1.00 1.00 H new ATOM 236 N ALA A 16 4.330 -4.193 -2.812 1.00 1.00 N ATOM 237 CA ALA A 16 5.236 -4.995 -1.933 1.00 1.00 C ATOM 238 C ALA A 16 4.451 -6.135 -1.295 1.00 1.00 C ATOM 239 O ALA A 16 4.801 -7.291 -1.416 1.00 1.00 O ATOM 240 CB ALA A 16 5.829 -4.082 -0.841 1.00 1.00 C ATOM 0 H ALA A 16 4.245 -3.210 -2.555 1.00 1.00 H new ATOM 0 HA ALA A 16 6.048 -5.414 -2.527 1.00 1.00 H new ATOM 0 HB1 ALA A 16 6.490 -4.665 -0.199 1.00 1.00 H new ATOM 0 HB2 ALA A 16 6.395 -3.276 -1.308 1.00 1.00 H new ATOM 0 HB3 ALA A 16 5.022 -3.659 -0.243 1.00 1.00 H new ATOM 246 N CYS A 17 3.395 -5.753 -0.638 1.00 1.00 N ATOM 247 CA CYS A 17 2.488 -6.678 0.048 1.00 1.00 C ATOM 248 C CYS A 17 2.090 -7.832 -0.864 1.00 1.00 C ATOM 249 O CYS A 17 2.031 -8.966 -0.446 1.00 1.00 O ATOM 250 CB CYS A 17 1.343 -5.812 0.472 1.00 1.00 C ATOM 251 SG CYS A 17 1.651 -4.597 1.775 1.00 1.00 S ATOM 0 H CYS A 17 3.119 -4.775 -0.552 1.00 1.00 H new ATOM 0 HA CYS A 17 2.936 -7.175 0.909 1.00 1.00 H new ATOM 0 HB2 CYS A 17 0.982 -5.278 -0.407 1.00 1.00 H new ATOM 0 HB3 CYS A 17 0.534 -6.463 0.804 1.00 1.00 H new ATOM 256 N LYS A 18 1.823 -7.522 -2.102 1.00 1.00 N ATOM 257 CA LYS A 18 1.432 -8.569 -3.072 1.00 1.00 C ATOM 258 C LYS A 18 2.661 -9.465 -3.267 1.00 1.00 C ATOM 259 O LYS A 18 2.588 -10.676 -3.235 1.00 1.00 O ATOM 260 CB LYS A 18 1.039 -7.882 -4.375 1.00 1.00 C ATOM 261 CG LYS A 18 0.432 -8.892 -5.367 1.00 1.00 C ATOM 262 CD LYS A 18 0.035 -8.212 -6.710 1.00 1.00 C ATOM 263 CE LYS A 18 1.269 -7.684 -7.491 1.00 1.00 C ATOM 264 NZ LYS A 18 1.826 -6.447 -6.868 1.00 1.00 N ATOM 0 H LYS A 18 1.861 -6.576 -2.482 1.00 1.00 H new ATOM 0 HA LYS A 18 0.588 -9.168 -2.731 1.00 1.00 H new ATOM 0 HB2 LYS A 18 0.319 -7.090 -4.170 1.00 1.00 H new ATOM 0 HB3 LYS A 18 1.915 -7.410 -4.820 1.00 1.00 H new ATOM 0 HG2 LYS A 18 1.150 -9.689 -5.561 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -0.447 -9.357 -4.921 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -0.506 -8.926 -7.330 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -0.646 -7.385 -6.509 1.00 1.00 H new ATOM 0 HE2 LYS A 18 2.039 -8.455 -7.521 1.00 1.00 H new ATOM 0 HE3 LYS A 18 0.986 -7.476 -8.523 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 1.997 -5.734 -7.605 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 1.148 -6.072 -6.174 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 2.722 -6.672 -6.390 1.00 1.00 H new ATOM 278 N LYS A 19 3.765 -8.795 -3.465 1.00 1.00 N ATOM 279 CA LYS A 19 5.075 -9.484 -3.674 1.00 1.00 C ATOM 280 C LYS A 19 5.595 -10.159 -2.387 1.00 1.00 C ATOM 281 O LYS A 19 6.533 -10.929 -2.448 1.00 1.00 O ATOM 282 CB LYS A 19 6.079 -8.436 -4.187 1.00 1.00 C ATOM 283 CG LYS A 19 5.609 -7.925 -5.571 1.00 1.00 C ATOM 284 CD LYS A 19 6.473 -6.720 -5.996 1.00 1.00 C ATOM 285 CE LYS A 19 5.930 -6.140 -7.317 1.00 1.00 C ATOM 286 NZ LYS A 19 5.994 -7.157 -8.406 1.00 1.00 N ATOM 0 H LYS A 19 3.816 -7.777 -3.491 1.00 1.00 H new ATOM 0 HA LYS A 19 4.947 -10.285 -4.402 1.00 1.00 H new ATOM 0 HB2 LYS A 19 6.150 -7.607 -3.483 1.00 1.00 H new ATOM 0 HB3 LYS A 19 7.074 -8.874 -4.265 1.00 1.00 H new ATOM 0 HG2 LYS A 19 5.688 -8.722 -6.311 1.00 1.00 H new ATOM 0 HG3 LYS A 19 4.559 -7.635 -5.526 1.00 1.00 H new ATOM 0 HD2 LYS A 19 6.459 -5.957 -5.218 1.00 1.00 H new ATOM 0 HD3 LYS A 19 7.511 -7.029 -6.121 1.00 1.00 H new ATOM 0 HE2 LYS A 19 4.900 -5.812 -7.179 1.00 1.00 H new ATOM 0 HE3 LYS A 19 6.509 -5.261 -7.599 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 5.836 -6.694 -9.324 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 6.930 -7.610 -8.403 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 5.260 -7.878 -8.252 1.00 1.00 H new ATOM 300 N LEU A 20 4.977 -9.855 -1.266 1.00 1.00 N ATOM 301 CA LEU A 20 5.401 -10.451 0.040 1.00 1.00 C ATOM 302 C LEU A 20 4.486 -11.600 0.492 1.00 1.00 C ATOM 303 O LEU A 20 4.974 -12.677 0.776 1.00 1.00 O ATOM 304 CB LEU A 20 5.401 -9.335 1.108 1.00 1.00 C ATOM 305 CG LEU A 20 6.561 -8.324 0.863 1.00 1.00 C ATOM 306 CD1 LEU A 20 6.337 -7.082 1.753 1.00 1.00 C ATOM 307 CD2 LEU A 20 7.909 -8.963 1.256 1.00 1.00 C ATOM 0 H LEU A 20 4.188 -9.212 -1.203 1.00 1.00 H new ATOM 0 HA LEU A 20 6.397 -10.874 -0.088 1.00 1.00 H new ATOM 0 HB2 LEU A 20 4.446 -8.809 1.089 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.502 -9.776 2.100 1.00 1.00 H new ATOM 0 HG LEU A 20 6.578 -8.048 -0.191 1.00 1.00 H new ATOM 0 HD11 LEU A 20 7.143 -6.367 1.590 1.00 1.00 H new ATOM 0 HD12 LEU A 20 5.384 -6.619 1.498 1.00 1.00 H new ATOM 0 HD13 LEU A 20 6.325 -7.382 2.801 1.00 1.00 H new ATOM 0 HD21 LEU A 20 8.714 -8.250 1.082 1.00 1.00 H new ATOM 0 HD22 LEU A 20 7.888 -9.236 2.311 1.00 1.00 H new ATOM 0 HD23 LEU A 20 8.078 -9.855 0.653 1.00 1.00 H new ATOM 319 N VAL A 21 3.201 -11.354 0.549 1.00 1.00 N ATOM 320 CA VAL A 21 2.215 -12.374 0.970 1.00 1.00 C ATOM 321 C VAL A 21 1.362 -12.853 -0.206 1.00 1.00 C ATOM 322 O VAL A 21 0.874 -13.966 -0.170 1.00 1.00 O ATOM 323 CB VAL A 21 1.328 -11.758 2.073 1.00 1.00 C ATOM 324 CG1 VAL A 21 2.113 -11.733 3.405 1.00 1.00 C ATOM 325 CG2 VAL A 21 0.872 -10.316 1.764 1.00 1.00 C ATOM 0 H VAL A 21 2.789 -10.452 0.310 1.00 1.00 H new ATOM 0 HA VAL A 21 2.741 -13.249 1.352 1.00 1.00 H new ATOM 0 HB VAL A 21 0.437 -12.382 2.133 1.00 1.00 H new ATOM 0 HG11 VAL A 21 1.490 -11.299 4.187 1.00 1.00 H new ATOM 0 HG12 VAL A 21 2.389 -12.750 3.684 1.00 1.00 H new ATOM 0 HG13 VAL A 21 3.015 -11.133 3.285 1.00 1.00 H new ATOM 0 HG21 VAL A 21 0.253 -9.947 2.582 1.00 1.00 H new ATOM 0 HG22 VAL A 21 1.746 -9.674 1.652 1.00 1.00 H new ATOM 0 HG23 VAL A 21 0.295 -10.307 0.839 1.00 1.00 H new ATOM 335 N GLY A 22 1.201 -12.020 -1.209 1.00 1.00 N ATOM 336 CA GLY A 22 0.388 -12.411 -2.398 1.00 1.00 C ATOM 337 C GLY A 22 -0.722 -11.434 -2.768 1.00 1.00 C ATOM 338 O GLY A 22 -1.184 -11.464 -3.893 1.00 1.00 O ATOM 0 H GLY A 22 1.601 -11.083 -1.251 1.00 1.00 H new ATOM 0 HA2 GLY A 22 1.054 -12.523 -3.254 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -0.056 -13.388 -2.210 1.00 1.00 H new ATOM 342 N LYS A 23 -1.130 -10.603 -1.838 1.00 1.00 N ATOM 343 CA LYS A 23 -2.227 -9.621 -2.128 1.00 1.00 C ATOM 344 C LYS A 23 -1.812 -8.163 -1.891 1.00 1.00 C ATOM 345 O LYS A 23 -1.090 -7.861 -0.962 1.00 1.00 O ATOM 346 CB LYS A 23 -3.464 -9.904 -1.234 1.00 1.00 C ATOM 347 CG LYS A 23 -4.072 -11.326 -1.424 1.00 1.00 C ATOM 348 CD LYS A 23 -3.248 -12.502 -0.805 1.00 1.00 C ATOM 349 CE LYS A 23 -3.056 -12.360 0.718 1.00 1.00 C ATOM 350 NZ LYS A 23 -2.057 -11.302 1.043 1.00 1.00 N ATOM 0 H LYS A 23 -0.752 -10.561 -0.891 1.00 1.00 H new ATOM 0 HA LYS A 23 -2.461 -9.751 -3.185 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -3.181 -9.778 -0.189 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -4.232 -9.160 -1.448 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -5.070 -11.336 -0.987 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -4.190 -11.511 -2.492 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -3.753 -13.444 -1.017 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -2.271 -12.549 -1.287 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -4.010 -12.118 1.186 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -2.729 -13.312 1.136 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -1.539 -11.566 1.905 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -1.387 -11.203 0.254 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -2.547 -10.398 1.197 1.00 1.00 H new ATOM 364 N ALA A 24 -2.299 -7.325 -2.773 1.00 1.00 N ATOM 365 CA ALA A 24 -2.041 -5.851 -2.736 1.00 1.00 C ATOM 366 C ALA A 24 -2.819 -5.205 -1.569 1.00 1.00 C ATOM 367 O ALA A 24 -3.788 -4.503 -1.788 1.00 1.00 O ATOM 368 CB ALA A 24 -2.474 -5.275 -4.098 1.00 1.00 C ATOM 0 H ALA A 24 -2.891 -7.617 -3.551 1.00 1.00 H new ATOM 0 HA ALA A 24 -0.985 -5.639 -2.567 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -2.301 -4.199 -4.110 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -1.894 -5.745 -4.893 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -3.534 -5.473 -4.257 1.00 1.00 H new ATOM 374 N THR A 25 -2.374 -5.463 -0.365 1.00 1.00 N ATOM 375 CA THR A 25 -3.043 -4.902 0.849 1.00 1.00 C ATOM 376 C THR A 25 -2.084 -4.080 1.702 1.00 1.00 C ATOM 377 O THR A 25 -0.919 -3.934 1.393 1.00 1.00 O ATOM 378 CB THR A 25 -3.634 -6.097 1.657 1.00 1.00 C ATOM 379 OG1 THR A 25 -4.223 -5.592 2.848 1.00 1.00 O ATOM 380 CG2 THR A 25 -2.551 -7.100 2.121 1.00 1.00 C ATOM 0 H THR A 25 -1.562 -6.048 -0.169 1.00 1.00 H new ATOM 0 HA THR A 25 -3.836 -4.217 0.547 1.00 1.00 H new ATOM 0 HB THR A 25 -4.341 -6.601 0.998 1.00 1.00 H new ATOM 0 HG1 THR A 25 -4.601 -6.333 3.366 1.00 1.00 H new ATOM 0 HG21 THR A 25 -3.021 -7.910 2.678 1.00 1.00 H new ATOM 0 HG22 THR A 25 -2.037 -7.508 1.251 1.00 1.00 H new ATOM 0 HG23 THR A 25 -1.832 -6.589 2.761 1.00 1.00 H new ATOM 388 N GLY A 26 -2.648 -3.563 2.759 1.00 1.00 N ATOM 389 CA GLY A 26 -1.901 -2.720 3.746 1.00 1.00 C ATOM 390 C GLY A 26 -2.351 -1.259 3.701 1.00 1.00 C ATOM 391 O GLY A 26 -3.050 -0.853 2.793 1.00 1.00 O ATOM 0 H GLY A 26 -3.633 -3.694 2.990 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -2.052 -3.116 4.750 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -0.833 -2.778 3.538 1.00 1.00 H new ATOM 395 N LYS A 27 -1.938 -0.509 4.690 1.00 1.00 N ATOM 396 CA LYS A 27 -2.314 0.923 4.746 1.00 1.00 C ATOM 397 C LYS A 27 -1.079 1.776 5.046 1.00 1.00 C ATOM 398 O LYS A 27 -0.001 1.275 5.286 1.00 1.00 O ATOM 399 CB LYS A 27 -3.404 1.113 5.839 1.00 1.00 C ATOM 400 CG LYS A 27 -2.848 0.835 7.252 1.00 1.00 C ATOM 401 CD LYS A 27 -3.901 1.075 8.366 1.00 1.00 C ATOM 402 CE LYS A 27 -5.048 0.038 8.320 1.00 1.00 C ATOM 403 NZ LYS A 27 -5.967 0.296 7.176 1.00 1.00 N ATOM 0 H LYS A 27 -1.355 -0.834 5.461 1.00 1.00 H new ATOM 0 HA LYS A 27 -2.716 1.244 3.785 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -3.792 2.131 5.794 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -4.241 0.444 5.639 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -2.498 -0.196 7.304 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -1.984 1.475 7.431 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -3.413 1.032 9.340 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -4.316 2.078 8.262 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -4.631 -0.965 8.234 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -5.609 0.071 9.254 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -6.953 0.237 7.502 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -5.785 1.245 6.792 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -5.805 -0.414 6.434 1.00 1.00 H new ATOM 417 N CYS A 28 -1.320 3.059 5.026 1.00 1.00 N ATOM 418 CA CYS A 28 -0.251 4.058 5.299 1.00 1.00 C ATOM 419 C CYS A 28 -0.477 4.553 6.719 1.00 1.00 C ATOM 420 O CYS A 28 -1.482 5.156 7.039 1.00 1.00 O ATOM 421 CB CYS A 28 -0.383 5.187 4.302 1.00 1.00 C ATOM 422 SG CYS A 28 0.780 6.564 4.410 1.00 1.00 S ATOM 0 H CYS A 28 -2.235 3.464 4.827 1.00 1.00 H new ATOM 0 HA CYS A 28 0.750 3.637 5.204 1.00 1.00 H new ATOM 0 HB2 CYS A 28 -0.300 4.760 3.303 1.00 1.00 H new ATOM 0 HB3 CYS A 28 -1.390 5.594 4.392 1.00 1.00 H new ATOM 427 N THR A 29 0.499 4.252 7.509 1.00 1.00 N ATOM 428 CA THR A 29 0.483 4.634 8.959 1.00 1.00 C ATOM 429 C THR A 29 1.772 5.365 9.313 1.00 1.00 C ATOM 430 O THR A 29 2.853 4.870 9.074 1.00 1.00 O ATOM 431 CB THR A 29 0.351 3.366 9.771 1.00 1.00 C ATOM 432 OG1 THR A 29 -0.837 2.763 9.295 1.00 1.00 O ATOM 433 CG2 THR A 29 0.071 3.626 11.243 1.00 1.00 C ATOM 0 H THR A 29 1.334 3.745 7.216 1.00 1.00 H new ATOM 0 HA THR A 29 -0.352 5.301 9.173 1.00 1.00 H new ATOM 0 HB THR A 29 1.273 2.792 9.678 1.00 1.00 H new ATOM 0 HG1 THR A 29 -1.080 2.014 9.878 1.00 1.00 H new ATOM 0 HG21 THR A 29 -0.013 2.676 11.771 1.00 1.00 H new ATOM 0 HG22 THR A 29 0.887 4.208 11.671 1.00 1.00 H new ATOM 0 HG23 THR A 29 -0.862 4.180 11.343 1.00 1.00 H new ATOM 441 N ASN A 30 1.587 6.518 9.896 1.00 1.00 N ATOM 442 CA ASN A 30 2.707 7.413 10.322 1.00 1.00 C ATOM 443 C ASN A 30 3.747 7.575 9.194 1.00 1.00 C ATOM 444 O ASN A 30 4.944 7.583 9.409 1.00 1.00 O ATOM 445 CB ASN A 30 3.364 6.815 11.587 1.00 1.00 C ATOM 446 CG ASN A 30 2.331 6.707 12.717 1.00 1.00 C ATOM 447 OD1 ASN A 30 1.717 7.679 13.110 1.00 1.00 O ATOM 448 ND2 ASN A 30 2.111 5.545 13.264 1.00 1.00 N ATOM 0 H ASN A 30 0.662 6.894 10.104 1.00 1.00 H new ATOM 0 HA ASN A 30 2.312 8.404 10.545 1.00 1.00 H new ATOM 0 HB2 ASN A 30 3.773 5.830 11.363 1.00 1.00 H new ATOM 0 HB3 ASN A 30 4.197 7.442 11.904 1.00 1.00 H new ATOM 0 HD21 ASN A 30 1.428 5.457 14.016 1.00 1.00 H new ATOM 0 HD22 ASN A 30 2.622 4.724 12.940 1.00 1.00 H new ATOM 455 N GLY A 31 3.207 7.701 8.005 1.00 1.00 N ATOM 456 CA GLY A 31 4.010 7.869 6.769 1.00 1.00 C ATOM 457 C GLY A 31 4.896 6.662 6.434 1.00 1.00 C ATOM 458 O GLY A 31 5.843 6.790 5.690 1.00 1.00 O ATOM 0 H GLY A 31 2.200 7.693 7.844 1.00 1.00 H new ATOM 0 HA2 GLY A 31 3.337 8.056 5.933 1.00 1.00 H new ATOM 0 HA3 GLY A 31 4.640 8.752 6.874 1.00 1.00 H new ATOM 462 N ARG A 32 4.548 5.541 6.999 1.00 1.00 N ATOM 463 CA ARG A 32 5.281 4.253 6.798 1.00 1.00 C ATOM 464 C ARG A 32 4.244 3.178 6.502 1.00 1.00 C ATOM 465 O ARG A 32 3.078 3.355 6.770 1.00 1.00 O ATOM 466 CB ARG A 32 6.000 3.857 8.052 1.00 1.00 C ATOM 467 CG ARG A 32 6.996 4.950 8.467 1.00 1.00 C ATOM 468 CD ARG A 32 7.516 4.596 9.849 1.00 1.00 C ATOM 469 NE ARG A 32 8.714 5.440 10.130 1.00 1.00 N ATOM 470 CZ ARG A 32 9.879 4.879 10.315 1.00 1.00 C ATOM 471 NH1 ARG A 32 10.438 4.253 9.321 1.00 1.00 N ATOM 472 NH2 ARG A 32 10.440 4.965 11.487 1.00 1.00 N ATOM 0 H ARG A 32 3.746 5.460 7.623 1.00 1.00 H new ATOM 0 HA ARG A 32 6.002 4.367 5.988 1.00 1.00 H new ATOM 0 HB2 ARG A 32 5.281 3.689 8.853 1.00 1.00 H new ATOM 0 HB3 ARG A 32 6.528 2.916 7.894 1.00 1.00 H new ATOM 0 HG2 ARG A 32 7.817 5.011 7.753 1.00 1.00 H new ATOM 0 HG3 ARG A 32 6.511 5.926 8.479 1.00 1.00 H new ATOM 0 HD2 ARG A 32 6.745 4.769 10.600 1.00 1.00 H new ATOM 0 HD3 ARG A 32 7.777 3.539 9.897 1.00 1.00 H new ATOM 0 HE ARG A 32 8.623 6.455 10.178 1.00 1.00 H new ATOM 0 HH11 ARG A 32 9.967 4.207 8.418 1.00 1.00 H new ATOM 0 HH12 ARG A 32 11.348 3.808 9.445 1.00 1.00 H new ATOM 0 HH21 ARG A 32 9.970 5.464 12.242 1.00 1.00 H new ATOM 0 HH22 ARG A 32 11.350 4.533 11.650 1.00 1.00 H new ATOM 486 N CYS A 33 4.690 2.082 5.958 1.00 1.00 N ATOM 487 CA CYS A 33 3.725 0.987 5.647 1.00 1.00 C ATOM 488 C CYS A 33 3.227 0.255 6.886 1.00 1.00 C ATOM 489 O CYS A 33 3.960 0.056 7.832 1.00 1.00 O ATOM 490 CB CYS A 33 4.327 -0.109 4.793 1.00 1.00 C ATOM 491 SG CYS A 33 3.179 -1.372 4.198 1.00 1.00 S ATOM 0 H CYS A 33 5.664 1.896 5.718 1.00 1.00 H new ATOM 0 HA CYS A 33 2.921 1.515 5.134 1.00 1.00 H new ATOM 0 HB2 CYS A 33 4.807 0.353 3.930 1.00 1.00 H new ATOM 0 HB3 CYS A 33 5.111 -0.601 5.368 1.00 1.00 H new ATOM 496 N ASP A 34 1.980 -0.106 6.810 1.00 1.00 N ATOM 497 CA ASP A 34 1.306 -0.856 7.899 1.00 1.00 C ATOM 498 C ASP A 34 0.540 -1.967 7.170 1.00 1.00 C ATOM 499 O ASP A 34 -0.652 -1.865 6.988 1.00 1.00 O ATOM 500 CB ASP A 34 0.381 0.073 8.638 1.00 1.00 C ATOM 501 CG ASP A 34 -0.315 -0.660 9.790 1.00 1.00 C ATOM 502 OD1 ASP A 34 0.393 -1.059 10.695 1.00 1.00 O ATOM 503 OD2 ASP A 34 -1.524 -0.786 9.699 1.00 1.00 O ATOM 0 H ASP A 34 1.381 0.096 6.010 1.00 1.00 H new ATOM 0 HA ASP A 34 1.989 -1.268 8.642 1.00 1.00 H new ATOM 0 HB2 ASP A 34 0.944 0.921 9.027 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -0.365 0.474 7.952 1.00 1.00 H new ATOM 508 N CYS A 35 1.244 -3.003 6.768 1.00 1.00 N ATOM 509 CA CYS A 35 0.573 -4.126 6.036 1.00 1.00 C ATOM 510 C CYS A 35 0.544 -5.406 6.892 1.00 1.00 C ATOM 511 O CYS A 35 0.554 -6.481 6.312 1.00 1.00 O ATOM 512 CB CYS A 35 1.371 -4.280 4.719 1.00 1.00 C ATOM 513 SG CYS A 35 0.826 -5.421 3.427 1.00 1.00 S ATOM 514 OXT CYS A 35 0.498 -5.239 8.096 1.00 1.00 O ATOM 0 H CYS A 35 2.247 -3.118 6.915 1.00 1.00 H new ATOM 0 HA CYS A 35 -0.476 -3.924 5.821 1.00 1.00 H new ATOM 0 HB2 CYS A 35 1.433 -3.291 4.266 1.00 1.00 H new ATOM 0 HB3 CYS A 35 2.386 -4.569 4.993 1.00 1.00 H new TER 519 CYS A 35