USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 263 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 27 LYS NZ :NH3+ -179:sc= 0.756 (180deg=0) USER MOD Set 1.2: A 36 TYR OH : rot -130:sc= -0.137 USER MOD Single : A 3 THR OG1 : rot -54:sc= 0.405 USER MOD Single : A 4 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.36) USER MOD Single : A 6 SER OG : rot 29:sc= 0.39 USER MOD Single : A 8 SER OG : rot -54:sc= 0.674 USER MOD Single : A 10 SER OG : rot 180:sc= 0.375 USER MOD Single : A 11 SER OG : rot 180:sc= -0.11 USER MOD Single : A 12 GLN : amide:sc= -5.1! C(o=-5.1!,f=-5.3!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 155:sc= -0.141 (180deg=-0.781) USER MOD Single : A 23 THR OG1 : rot 169:sc= 0.00105 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 2 3.924 -1.300 -1.415 1.00 1.00 N ATOM 16 CA PHE A 2 5.217 -1.921 -1.170 1.00 1.00 C ATOM 17 C PHE A 2 6.061 -0.917 -0.381 1.00 1.00 C ATOM 18 O PHE A 2 5.659 0.196 -0.145 1.00 1.00 O ATOM 19 CB PHE A 2 5.725 -2.206 -2.526 1.00 1.00 C ATOM 20 CG PHE A 2 7.024 -2.924 -2.471 1.00 1.00 C ATOM 21 CD1 PHE A 2 7.152 -4.125 -1.786 1.00 1.00 C ATOM 22 CD2 PHE A 2 8.133 -2.405 -3.118 1.00 1.00 C ATOM 23 CE1 PHE A 2 8.359 -4.790 -1.753 1.00 1.00 C ATOM 24 CE2 PHE A 2 9.340 -3.072 -3.084 1.00 1.00 C ATOM 25 CZ PHE A 2 9.455 -4.264 -2.402 1.00 1.00 C ATOM 0 HA PHE A 2 5.210 -2.838 -0.581 1.00 1.00 H new ATOM 0 HB2 PHE A 2 4.997 -2.806 -3.072 1.00 1.00 H new ATOM 0 HB3 PHE A 2 5.845 -1.273 -3.076 1.00 1.00 H new ATOM 0 HD1 PHE A 2 6.297 -4.542 -1.274 1.00 1.00 H new ATOM 0 HD2 PHE A 2 8.052 -1.471 -3.653 1.00 1.00 H new ATOM 0 HE1 PHE A 2 8.446 -5.724 -1.218 1.00 1.00 H new ATOM 0 HE2 PHE A 2 10.198 -2.659 -3.594 1.00 1.00 H new ATOM 0 HZ PHE A 2 10.401 -4.784 -2.376 1.00 1.00 H new ATOM 35 N THR A 3 7.216 -1.383 -0.008 1.00 1.00 N ATOM 36 CA THR A 3 8.174 -0.536 0.769 1.00 1.00 C ATOM 37 C THR A 3 9.555 -0.623 0.128 1.00 1.00 C ATOM 38 O THR A 3 9.745 -1.333 -0.830 1.00 1.00 O ATOM 39 CB THR A 3 8.253 -1.023 2.242 1.00 1.00 C ATOM 40 OG1 THR A 3 8.876 -2.298 2.201 1.00 1.00 O ATOM 41 CG2 THR A 3 6.836 -1.288 2.815 1.00 1.00 C ATOM 0 H THR A 3 7.547 -2.327 -0.208 1.00 1.00 H new ATOM 0 HA THR A 3 7.825 0.497 0.760 1.00 1.00 H new ATOM 0 HB THR A 3 8.772 -0.276 2.843 1.00 1.00 H new ATOM 0 HG1 THR A 3 8.387 -2.882 1.584 1.00 1.00 H new ATOM 0 HG21 THR A 3 6.919 -1.628 3.847 1.00 1.00 H new ATOM 0 HG22 THR A 3 6.252 -0.368 2.781 1.00 1.00 H new ATOM 0 HG23 THR A 3 6.340 -2.054 2.219 1.00 1.00 H new ATOM 49 N ASN A 4 10.479 0.098 0.696 1.00 1.00 N ATOM 50 CA ASN A 4 11.872 0.097 0.162 1.00 1.00 C ATOM 51 C ASN A 4 12.864 -0.334 1.240 1.00 1.00 C ATOM 52 O ASN A 4 14.017 0.045 1.210 1.00 1.00 O ATOM 53 CB ASN A 4 12.151 1.514 -0.316 1.00 1.00 C ATOM 54 CG ASN A 4 13.450 1.573 -1.134 1.00 1.00 C ATOM 55 OD1 ASN A 4 13.579 0.949 -2.168 1.00 1.00 O ATOM 56 ND2 ASN A 4 14.436 2.311 -0.702 1.00 1.00 N ATOM 0 H ASN A 4 10.330 0.692 1.512 1.00 1.00 H new ATOM 0 HA ASN A 4 11.982 -0.613 -0.657 1.00 1.00 H new ATOM 0 HB2 ASN A 4 11.318 1.867 -0.924 1.00 1.00 H new ATOM 0 HB3 ASN A 4 12.226 2.183 0.541 1.00 1.00 H new ATOM 0 HD21 ASN A 4 15.306 2.360 -1.232 1.00 1.00 H new ATOM 0 HD22 ASN A 4 14.336 2.838 0.165 1.00 1.00 H new ATOM 63 N VAL A 5 12.393 -1.131 2.166 1.00 1.00 N ATOM 64 CA VAL A 5 13.272 -1.615 3.252 1.00 1.00 C ATOM 65 C VAL A 5 13.273 -3.133 3.245 1.00 1.00 C ATOM 66 O VAL A 5 12.296 -3.748 2.874 1.00 1.00 O ATOM 67 CB VAL A 5 12.742 -1.095 4.576 1.00 1.00 C ATOM 68 CG1 VAL A 5 12.942 0.425 4.671 1.00 1.00 C ATOM 69 CG2 VAL A 5 11.246 -1.428 4.774 1.00 1.00 C ATOM 0 H VAL A 5 11.430 -1.464 2.209 1.00 1.00 H new ATOM 0 HA VAL A 5 14.292 -1.258 3.108 1.00 1.00 H new ATOM 0 HB VAL A 5 13.307 -1.593 5.364 1.00 1.00 H new ATOM 0 HG11 VAL A 5 12.557 0.784 5.626 1.00 1.00 H new ATOM 0 HG12 VAL A 5 14.004 0.657 4.598 1.00 1.00 H new ATOM 0 HG13 VAL A 5 12.407 0.914 3.857 1.00 1.00 H new ATOM 0 HG21 VAL A 5 10.910 -1.037 5.734 1.00 1.00 H new ATOM 0 HG22 VAL A 5 10.663 -0.973 3.973 1.00 1.00 H new ATOM 0 HG23 VAL A 5 11.108 -2.509 4.754 1.00 1.00 H new ATOM 79 N SER A 6 14.382 -3.682 3.662 1.00 1.00 N ATOM 80 CA SER A 6 14.512 -5.168 3.704 1.00 1.00 C ATOM 81 C SER A 6 13.642 -5.728 4.839 1.00 1.00 C ATOM 82 O SER A 6 13.352 -5.018 5.784 1.00 1.00 O ATOM 83 CB SER A 6 15.992 -5.529 3.934 1.00 1.00 C ATOM 84 OG SER A 6 16.049 -6.949 3.877 1.00 1.00 O ATOM 0 H SER A 6 15.204 -3.166 3.976 1.00 1.00 H new ATOM 0 HA SER A 6 14.176 -5.602 2.762 1.00 1.00 H new ATOM 0 HB2 SER A 6 16.629 -5.080 3.172 1.00 1.00 H new ATOM 0 HB3 SER A 6 16.341 -5.160 4.899 1.00 1.00 H new ATOM 0 HG SER A 6 15.343 -7.281 3.284 1.00 1.00 H new ATOM 90 N CYS A 7 13.252 -6.974 4.719 1.00 1.00 N ATOM 91 CA CYS A 7 12.408 -7.600 5.782 1.00 1.00 C ATOM 92 C CYS A 7 13.012 -8.920 6.242 1.00 1.00 C ATOM 93 O CYS A 7 13.808 -9.530 5.554 1.00 1.00 O ATOM 94 CB CYS A 7 10.994 -7.866 5.258 1.00 1.00 C ATOM 95 SG CYS A 7 10.788 -8.810 3.731 1.00 1.00 S ATOM 0 H CYS A 7 13.481 -7.582 3.933 1.00 1.00 H new ATOM 0 HA CYS A 7 12.366 -6.906 6.621 1.00 1.00 H new ATOM 0 HB2 CYS A 7 10.445 -8.386 6.043 1.00 1.00 H new ATOM 0 HB3 CYS A 7 10.509 -6.900 5.116 1.00 1.00 H new ATOM 100 N SER A 8 12.583 -9.298 7.415 1.00 1.00 N ATOM 101 CA SER A 8 13.038 -10.560 8.055 1.00 1.00 C ATOM 102 C SER A 8 11.764 -11.316 8.464 1.00 1.00 C ATOM 103 O SER A 8 11.765 -12.018 9.458 1.00 1.00 O ATOM 104 CB SER A 8 13.913 -10.183 9.272 1.00 1.00 C ATOM 105 OG SER A 8 14.399 -11.422 9.764 1.00 1.00 O ATOM 0 H SER A 8 11.915 -8.765 7.971 1.00 1.00 H new ATOM 0 HA SER A 8 13.637 -11.192 7.400 1.00 1.00 H new ATOM 0 HB2 SER A 8 14.731 -9.524 8.982 1.00 1.00 H new ATOM 0 HB3 SER A 8 13.332 -9.657 10.029 1.00 1.00 H new ATOM 0 HG SER A 8 13.645 -12.024 9.937 1.00 1.00 H new ATOM 111 N ALA A 9 10.739 -11.124 7.654 1.00 1.00 N ATOM 112 CA ALA A 9 9.365 -11.733 7.795 1.00 1.00 C ATOM 113 C ALA A 9 8.281 -10.650 7.819 1.00 1.00 C ATOM 114 O ALA A 9 8.558 -9.470 7.927 1.00 1.00 O ATOM 115 CB ALA A 9 9.196 -12.548 9.108 1.00 1.00 C ATOM 0 H ALA A 9 10.811 -10.519 6.836 1.00 1.00 H new ATOM 0 HA ALA A 9 9.259 -12.392 6.933 1.00 1.00 H new ATOM 0 HB1 ALA A 9 8.188 -12.961 9.153 1.00 1.00 H new ATOM 0 HB2 ALA A 9 9.922 -13.360 9.128 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.359 -11.895 9.965 1.00 1.00 H new ATOM 121 N SER A 10 7.062 -11.114 7.713 1.00 1.00 N ATOM 122 CA SER A 10 5.868 -10.216 7.716 1.00 1.00 C ATOM 123 C SER A 10 5.637 -9.608 9.106 1.00 1.00 C ATOM 124 O SER A 10 5.056 -8.548 9.232 1.00 1.00 O ATOM 125 CB SER A 10 4.630 -11.027 7.300 1.00 1.00 C ATOM 126 OG SER A 10 4.921 -11.501 5.990 1.00 1.00 O ATOM 0 H SER A 10 6.839 -12.105 7.622 1.00 1.00 H new ATOM 0 HA SER A 10 6.042 -9.402 7.012 1.00 1.00 H new ATOM 0 HB2 SER A 10 4.451 -11.854 7.988 1.00 1.00 H new ATOM 0 HB3 SER A 10 3.733 -10.408 7.305 1.00 1.00 H new ATOM 0 HG SER A 10 4.167 -12.033 5.660 1.00 1.00 H new ATOM 132 N SER A 11 6.094 -10.307 10.113 1.00 1.00 N ATOM 133 CA SER A 11 5.942 -9.841 11.504 1.00 1.00 C ATOM 134 C SER A 11 6.583 -8.472 11.706 1.00 1.00 C ATOM 135 O SER A 11 5.918 -7.526 12.080 1.00 1.00 O ATOM 136 CB SER A 11 6.567 -10.934 12.371 1.00 1.00 C ATOM 137 OG SER A 11 7.892 -11.110 11.888 1.00 1.00 O ATOM 0 H SER A 11 6.576 -11.201 10.016 1.00 1.00 H new ATOM 0 HA SER A 11 4.897 -9.692 11.777 1.00 1.00 H new ATOM 0 HB2 SER A 11 6.570 -10.644 13.422 1.00 1.00 H new ATOM 0 HB3 SER A 11 5.999 -11.862 12.298 1.00 1.00 H new ATOM 0 HG SER A 11 8.342 -11.804 12.414 1.00 1.00 H new ATOM 143 N GLN A 12 7.859 -8.416 11.445 1.00 1.00 N ATOM 144 CA GLN A 12 8.623 -7.148 11.590 1.00 1.00 C ATOM 145 C GLN A 12 8.255 -6.139 10.491 1.00 1.00 C ATOM 146 O GLN A 12 8.833 -5.072 10.421 1.00 1.00 O ATOM 147 CB GLN A 12 10.111 -7.529 11.567 1.00 1.00 C ATOM 148 CG GLN A 12 10.476 -8.285 10.283 1.00 1.00 C ATOM 149 CD GLN A 12 10.914 -7.301 9.194 1.00 1.00 C ATOM 150 OE1 GLN A 12 10.122 -6.770 8.443 1.00 1.00 O ATOM 151 NE2 GLN A 12 12.187 -7.034 9.087 1.00 1.00 N ATOM 0 H GLN A 12 8.414 -9.212 11.131 1.00 1.00 H new ATOM 0 HA GLN A 12 8.379 -6.646 12.526 1.00 1.00 H new ATOM 0 HB2 GLN A 12 10.720 -6.628 11.646 1.00 1.00 H new ATOM 0 HB3 GLN A 12 10.343 -8.148 12.434 1.00 1.00 H new ATOM 0 HG2 GLN A 12 11.278 -8.994 10.486 1.00 1.00 H new ATOM 0 HG3 GLN A 12 9.619 -8.863 9.937 1.00 1.00 H new ATOM 0 HE21 GLN A 12 12.856 -7.478 9.716 1.00 1.00 H new ATOM 0 HE22 GLN A 12 12.513 -6.381 8.374 1.00 1.00 H new ATOM 160 N CYS A 13 7.304 -6.508 9.664 1.00 1.00 N ATOM 161 CA CYS A 13 6.840 -5.623 8.548 1.00 1.00 C ATOM 162 C CYS A 13 5.610 -4.861 9.001 1.00 1.00 C ATOM 163 O CYS A 13 5.415 -3.743 8.584 1.00 1.00 O ATOM 164 CB CYS A 13 6.492 -6.474 7.353 1.00 1.00 C ATOM 165 SG CYS A 13 5.976 -5.684 5.811 1.00 1.00 S ATOM 0 H CYS A 13 6.821 -7.405 9.718 1.00 1.00 H new ATOM 0 HA CYS A 13 7.628 -4.920 8.278 1.00 1.00 H new ATOM 0 HB2 CYS A 13 7.362 -7.091 7.128 1.00 1.00 H new ATOM 0 HB3 CYS A 13 5.692 -7.150 7.656 1.00 1.00 H new ATOM 170 N TRP A 14 4.804 -5.476 9.825 1.00 1.00 N ATOM 171 CA TRP A 14 3.582 -4.801 10.325 1.00 1.00 C ATOM 172 C TRP A 14 3.929 -3.380 10.866 1.00 1.00 C ATOM 173 O TRP A 14 3.321 -2.410 10.443 1.00 1.00 O ATOM 174 CB TRP A 14 2.957 -5.646 11.448 1.00 1.00 C ATOM 175 CG TRP A 14 2.663 -7.117 11.114 1.00 1.00 C ATOM 176 CD1 TRP A 14 2.180 -7.590 9.936 1.00 1.00 C ATOM 177 CD2 TRP A 14 2.822 -8.156 11.966 1.00 1.00 C ATOM 178 NE1 TRP A 14 2.072 -8.886 10.142 1.00 1.00 N ATOM 179 CE2 TRP A 14 2.432 -9.333 11.332 1.00 1.00 C ATOM 180 CE3 TRP A 14 3.279 -8.205 13.284 1.00 1.00 C ATOM 181 CZ2 TRP A 14 2.496 -10.552 12.003 1.00 1.00 C ATOM 182 CZ3 TRP A 14 3.344 -9.423 13.958 1.00 1.00 C ATOM 183 CH2 TRP A 14 2.953 -10.596 13.319 1.00 1.00 C ATOM 0 H TRP A 14 4.945 -6.424 10.173 1.00 1.00 H new ATOM 0 HA TRP A 14 2.872 -4.697 9.505 1.00 1.00 H new ATOM 0 HB2 TRP A 14 3.625 -5.618 12.309 1.00 1.00 H new ATOM 0 HB3 TRP A 14 2.024 -5.172 11.753 1.00 1.00 H new ATOM 0 HD1 TRP A 14 1.941 -7.034 9.041 1.00 1.00 H new ATOM 0 HE1 TRP A 14 1.727 -9.515 9.417 1.00 1.00 H new ATOM 0 HE3 TRP A 14 3.583 -7.297 13.783 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 2.192 -11.461 11.505 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 3.698 -9.457 14.978 1.00 1.00 H new ATOM 0 HH2 TRP A 14 3.004 -11.539 13.842 1.00 1.00 H new ATOM 194 N PRO A 15 4.884 -3.270 11.776 1.00 1.00 N ATOM 195 CA PRO A 15 5.383 -1.957 12.268 1.00 1.00 C ATOM 196 C PRO A 15 5.911 -1.078 11.128 1.00 1.00 C ATOM 197 O PRO A 15 5.684 0.106 11.131 1.00 1.00 O ATOM 198 CB PRO A 15 6.458 -2.316 13.304 1.00 1.00 C ATOM 199 CG PRO A 15 6.953 -3.686 12.808 1.00 1.00 C ATOM 200 CD PRO A 15 5.638 -4.377 12.441 1.00 1.00 C ATOM 0 HA PRO A 15 4.593 -1.352 12.713 1.00 1.00 H new ATOM 0 HB2 PRO A 15 7.261 -1.579 13.328 1.00 1.00 H new ATOM 0 HB3 PRO A 15 6.047 -2.373 14.312 1.00 1.00 H new ATOM 0 HG2 PRO A 15 7.620 -3.594 11.951 1.00 1.00 H new ATOM 0 HG3 PRO A 15 7.499 -4.228 13.580 1.00 1.00 H new ATOM 0 HD2 PRO A 15 5.794 -5.224 11.773 1.00 1.00 H new ATOM 0 HD3 PRO A 15 5.117 -4.756 13.320 1.00 1.00 H new ATOM 208 N VAL A 16 6.598 -1.681 10.184 1.00 1.00 N ATOM 209 CA VAL A 16 7.149 -0.875 9.037 1.00 1.00 C ATOM 210 C VAL A 16 5.967 -0.202 8.321 1.00 1.00 C ATOM 211 O VAL A 16 5.941 0.989 8.150 1.00 1.00 O ATOM 212 CB VAL A 16 7.926 -1.835 8.093 1.00 1.00 C ATOM 213 CG1 VAL A 16 8.358 -1.101 6.810 1.00 1.00 C ATOM 214 CG2 VAL A 16 9.196 -2.321 8.819 1.00 1.00 C ATOM 0 H VAL A 16 6.800 -2.680 10.154 1.00 1.00 H new ATOM 0 HA VAL A 16 7.837 -0.100 9.375 1.00 1.00 H new ATOM 0 HB VAL A 16 7.277 -2.671 7.830 1.00 1.00 H new ATOM 0 HG11 VAL A 16 8.900 -1.789 6.162 1.00 1.00 H new ATOM 0 HG12 VAL A 16 7.476 -0.730 6.288 1.00 1.00 H new ATOM 0 HG13 VAL A 16 9.004 -0.263 7.070 1.00 1.00 H new ATOM 0 HG21 VAL A 16 9.752 -2.996 8.168 1.00 1.00 H new ATOM 0 HG22 VAL A 16 9.821 -1.464 9.072 1.00 1.00 H new ATOM 0 HG23 VAL A 16 8.915 -2.847 9.731 1.00 1.00 H new ATOM 224 N CYS A 17 5.036 -1.032 7.935 1.00 1.00 N ATOM 225 CA CYS A 17 3.785 -0.616 7.225 1.00 1.00 C ATOM 226 C CYS A 17 3.141 0.496 8.027 1.00 1.00 C ATOM 227 O CYS A 17 2.692 1.490 7.492 1.00 1.00 O ATOM 228 CB CYS A 17 2.882 -1.848 7.146 1.00 1.00 C ATOM 229 SG CYS A 17 1.248 -1.826 6.365 1.00 1.00 S ATOM 0 H CYS A 17 5.095 -2.038 8.092 1.00 1.00 H new ATOM 0 HA CYS A 17 3.976 -0.246 6.217 1.00 1.00 H new ATOM 0 HB2 CYS A 17 3.458 -2.621 6.637 1.00 1.00 H new ATOM 0 HB3 CYS A 17 2.730 -2.186 8.171 1.00 1.00 H new ATOM 234 N LYS A 18 3.121 0.272 9.310 1.00 1.00 N ATOM 235 CA LYS A 18 2.531 1.271 10.239 1.00 1.00 C ATOM 236 C LYS A 18 3.284 2.604 10.189 1.00 1.00 C ATOM 237 O LYS A 18 2.655 3.644 10.206 1.00 1.00 O ATOM 238 CB LYS A 18 2.535 0.583 11.615 1.00 1.00 C ATOM 239 CG LYS A 18 2.077 1.481 12.776 1.00 1.00 C ATOM 240 CD LYS A 18 3.264 2.305 13.309 1.00 1.00 C ATOM 241 CE LYS A 18 2.775 3.175 14.458 1.00 1.00 C ATOM 242 NZ LYS A 18 3.904 3.989 14.996 1.00 1.00 N ATOM 0 H LYS A 18 3.491 -0.567 9.757 1.00 1.00 H new ATOM 0 HA LYS A 18 1.514 1.555 9.969 1.00 1.00 H new ATOM 0 HB2 LYS A 18 1.887 -0.293 11.572 1.00 1.00 H new ATOM 0 HB3 LYS A 18 3.542 0.224 11.825 1.00 1.00 H new ATOM 0 HG2 LYS A 18 1.284 2.148 12.439 1.00 1.00 H new ATOM 0 HG3 LYS A 18 1.660 0.869 13.576 1.00 1.00 H new ATOM 0 HD2 LYS A 18 4.061 1.644 13.648 1.00 1.00 H new ATOM 0 HD3 LYS A 18 3.680 2.925 12.515 1.00 1.00 H new ATOM 0 HE2 LYS A 18 1.975 3.830 14.114 1.00 1.00 H new ATOM 0 HE3 LYS A 18 2.358 2.549 15.247 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 3.563 4.581 15.780 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 4.655 3.357 15.340 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 4.283 4.598 14.243 1.00 1.00 H new ATOM 256 N LYS A 19 4.590 2.574 10.129 1.00 1.00 N ATOM 257 CA LYS A 19 5.336 3.871 10.075 1.00 1.00 C ATOM 258 C LYS A 19 5.130 4.561 8.714 1.00 1.00 C ATOM 259 O LYS A 19 4.958 5.762 8.647 1.00 1.00 O ATOM 260 CB LYS A 19 6.864 3.645 10.287 1.00 1.00 C ATOM 261 CG LYS A 19 7.242 3.801 11.789 1.00 1.00 C ATOM 262 CD LYS A 19 6.868 2.562 12.630 1.00 1.00 C ATOM 263 CE LYS A 19 7.882 1.424 12.380 1.00 1.00 C ATOM 264 NZ LYS A 19 9.245 1.830 12.828 1.00 1.00 N ATOM 0 H LYS A 19 5.163 1.730 10.115 1.00 1.00 H new ATOM 0 HA LYS A 19 4.946 4.502 10.873 1.00 1.00 H new ATOM 0 HB2 LYS A 19 7.141 2.650 9.939 1.00 1.00 H new ATOM 0 HB3 LYS A 19 7.429 4.360 9.689 1.00 1.00 H new ATOM 0 HG2 LYS A 19 8.314 3.982 11.873 1.00 1.00 H new ATOM 0 HG3 LYS A 19 6.738 4.677 12.197 1.00 1.00 H new ATOM 0 HD2 LYS A 19 6.855 2.822 13.688 1.00 1.00 H new ATOM 0 HD3 LYS A 19 5.863 2.227 12.372 1.00 1.00 H new ATOM 0 HE2 LYS A 19 7.570 0.527 12.914 1.00 1.00 H new ATOM 0 HE3 LYS A 19 7.901 1.173 11.320 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 9.802 0.982 13.056 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 9.717 2.361 12.068 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 9.168 2.431 13.673 1.00 1.00 H new ATOM 278 N LEU A 20 5.153 3.772 7.670 1.00 1.00 N ATOM 279 CA LEU A 20 4.981 4.258 6.287 1.00 1.00 C ATOM 280 C LEU A 20 3.596 4.753 5.852 1.00 1.00 C ATOM 281 O LEU A 20 3.458 5.878 5.412 1.00 1.00 O ATOM 282 CB LEU A 20 5.441 3.114 5.392 1.00 1.00 C ATOM 283 CG LEU A 20 6.925 2.732 5.622 1.00 1.00 C ATOM 284 CD1 LEU A 20 7.233 1.500 4.754 1.00 1.00 C ATOM 285 CD2 LEU A 20 7.862 3.885 5.209 1.00 1.00 C ATOM 0 H LEU A 20 5.291 2.764 7.736 1.00 1.00 H new ATOM 0 HA LEU A 20 5.567 5.174 6.207 1.00 1.00 H new ATOM 0 HB2 LEU A 20 4.813 2.241 5.574 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.301 3.396 4.348 1.00 1.00 H new ATOM 0 HG LEU A 20 7.087 2.524 6.680 1.00 1.00 H new ATOM 0 HD11 LEU A 20 8.273 1.207 4.895 1.00 1.00 H new ATOM 0 HD12 LEU A 20 6.581 0.677 5.046 1.00 1.00 H new ATOM 0 HD13 LEU A 20 7.063 1.742 3.705 1.00 1.00 H new ATOM 0 HD21 LEU A 20 8.898 3.591 5.380 1.00 1.00 H new ATOM 0 HD22 LEU A 20 7.719 4.110 4.152 1.00 1.00 H new ATOM 0 HD23 LEU A 20 7.633 4.770 5.802 1.00 1.00 H new ATOM 297 N PHE A 21 2.613 3.905 5.987 1.00 1.00 N ATOM 298 CA PHE A 21 1.225 4.207 5.607 1.00 1.00 C ATOM 299 C PHE A 21 0.356 4.558 6.808 1.00 1.00 C ATOM 300 O PHE A 21 -0.406 5.499 6.779 1.00 1.00 O ATOM 301 CB PHE A 21 0.761 2.951 4.898 1.00 1.00 C ATOM 302 CG PHE A 21 1.756 2.606 3.771 1.00 1.00 C ATOM 303 CD1 PHE A 21 2.864 1.825 4.034 1.00 1.00 C ATOM 304 CD2 PHE A 21 1.575 3.099 2.494 1.00 1.00 C ATOM 305 CE1 PHE A 21 3.779 1.543 3.048 1.00 1.00 C ATOM 306 CE2 PHE A 21 2.491 2.815 1.503 1.00 1.00 C ATOM 307 CZ PHE A 21 3.594 2.037 1.782 1.00 1.00 C ATOM 0 H PHE A 21 2.737 2.967 6.368 1.00 1.00 H new ATOM 0 HA PHE A 21 1.151 5.090 4.972 1.00 1.00 H new ATOM 0 HB2 PHE A 21 0.693 2.124 5.605 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -0.237 3.100 4.485 1.00 1.00 H new ATOM 0 HD1 PHE A 21 3.014 1.430 5.028 1.00 1.00 H new ATOM 0 HD2 PHE A 21 0.713 3.709 2.270 1.00 1.00 H new ATOM 0 HE1 PHE A 21 4.642 0.933 3.270 1.00 1.00 H new ATOM 0 HE2 PHE A 21 2.344 3.203 0.506 1.00 1.00 H new ATOM 0 HZ PHE A 21 4.311 1.817 1.005 1.00 1.00 H new ATOM 317 N GLY A 22 0.527 3.761 7.823 1.00 1.00 N ATOM 318 CA GLY A 22 -0.224 3.921 9.097 1.00 1.00 C ATOM 319 C GLY A 22 -1.109 2.684 9.242 1.00 1.00 C ATOM 320 O GLY A 22 -2.162 2.749 9.848 1.00 1.00 O ATOM 0 H GLY A 22 1.180 2.977 7.821 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.460 4.009 9.941 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -0.827 4.829 9.080 1.00 1.00 H new ATOM 324 N THR A 23 -0.649 1.594 8.673 1.00 1.00 N ATOM 325 CA THR A 23 -1.419 0.311 8.740 1.00 1.00 C ATOM 326 C THR A 23 -0.525 -0.727 9.409 1.00 1.00 C ATOM 327 O THR A 23 0.674 -0.640 9.320 1.00 1.00 O ATOM 328 CB THR A 23 -1.769 -0.137 7.332 1.00 1.00 C ATOM 329 OG1 THR A 23 -2.212 1.015 6.638 1.00 1.00 O ATOM 330 CG2 THR A 23 -2.996 -1.049 7.339 1.00 1.00 C ATOM 0 H THR A 23 0.232 1.538 8.162 1.00 1.00 H new ATOM 0 HA THR A 23 -2.342 0.438 9.306 1.00 1.00 H new ATOM 0 HB THR A 23 -0.903 -0.638 6.900 1.00 1.00 H new ATOM 0 HG1 THR A 23 -2.280 0.815 5.681 1.00 1.00 H new ATOM 0 HG21 THR A 23 -3.227 -1.356 6.319 1.00 1.00 H new ATOM 0 HG22 THR A 23 -2.791 -1.931 7.946 1.00 1.00 H new ATOM 0 HG23 THR A 23 -3.847 -0.511 7.757 1.00 1.00 H new ATOM 338 N TYR A 24 -1.122 -1.700 10.043 1.00 1.00 N ATOM 339 CA TYR A 24 -0.303 -2.760 10.722 1.00 1.00 C ATOM 340 C TYR A 24 -0.526 -4.074 9.959 1.00 1.00 C ATOM 341 O TYR A 24 -0.427 -5.156 10.505 1.00 1.00 O ATOM 342 CB TYR A 24 -0.780 -2.875 12.199 1.00 1.00 C ATOM 343 CG TYR A 24 0.432 -3.115 13.105 1.00 1.00 C ATOM 344 CD1 TYR A 24 1.240 -2.054 13.448 1.00 1.00 C ATOM 345 CD2 TYR A 24 0.750 -4.372 13.576 1.00 1.00 C ATOM 346 CE1 TYR A 24 2.348 -2.232 14.242 1.00 1.00 C ATOM 347 CE2 TYR A 24 1.860 -4.557 14.374 1.00 1.00 C ATOM 348 CZ TYR A 24 2.667 -3.487 14.711 1.00 1.00 C ATOM 349 OH TYR A 24 3.781 -3.670 15.505 1.00 1.00 O ATOM 0 H TYR A 24 -2.133 -1.812 10.123 1.00 1.00 H new ATOM 0 HA TYR A 24 0.761 -2.521 10.722 1.00 1.00 H new ATOM 0 HB2 TYR A 24 -1.297 -1.963 12.498 1.00 1.00 H new ATOM 0 HB3 TYR A 24 -1.492 -3.694 12.301 1.00 1.00 H new ATOM 0 HD1 TYR A 24 0.999 -1.065 13.087 1.00 1.00 H new ATOM 0 HD2 TYR A 24 0.127 -5.216 13.319 1.00 1.00 H new ATOM 0 HE1 TYR A 24 2.969 -1.387 14.498 1.00 1.00 H new ATOM 0 HE2 TYR A 24 2.100 -5.545 14.738 1.00 1.00 H new ATOM 0 HH TYR A 24 3.857 -4.616 15.748 1.00 1.00 H new ATOM 359 N ARG A 25 -0.817 -3.907 8.692 1.00 1.00 N ATOM 360 CA ARG A 25 -1.075 -4.997 7.753 1.00 1.00 C ATOM 361 C ARG A 25 0.033 -5.029 6.696 1.00 1.00 C ATOM 362 O ARG A 25 -0.201 -4.674 5.561 1.00 1.00 O ATOM 363 CB ARG A 25 -2.404 -4.688 7.146 1.00 1.00 C ATOM 364 CG ARG A 25 -3.558 -4.686 8.164 1.00 1.00 C ATOM 365 CD ARG A 25 -4.827 -4.325 7.380 1.00 1.00 C ATOM 366 NE ARG A 25 -5.933 -4.035 8.336 1.00 1.00 N ATOM 367 CZ ARG A 25 -6.519 -2.870 8.288 1.00 1.00 C ATOM 368 NH1 ARG A 25 -5.932 -1.845 8.842 1.00 1.00 N ATOM 369 NH2 ARG A 25 -7.671 -2.767 7.687 1.00 1.00 N ATOM 0 H ARG A 25 -0.885 -2.984 8.262 1.00 1.00 H new ATOM 0 HA ARG A 25 -1.086 -5.977 8.231 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -2.355 -3.713 6.662 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -2.618 -5.420 6.367 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -3.659 -5.662 8.638 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -3.374 -3.963 8.959 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -4.642 -3.457 6.747 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -5.107 -5.147 6.721 1.00 1.00 H new ATOM 0 HE ARG A 25 -6.227 -4.736 9.017 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -5.030 -1.962 9.303 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -6.375 -0.927 8.814 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -8.101 -3.589 7.263 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -8.143 -1.864 7.640 1.00 1.00 H new ATOM 383 N GLY A 26 1.213 -5.435 7.076 1.00 1.00 N ATOM 384 CA GLY A 26 2.340 -5.500 6.114 1.00 1.00 C ATOM 385 C GLY A 26 2.908 -6.903 6.084 1.00 1.00 C ATOM 386 O GLY A 26 2.965 -7.614 7.068 1.00 1.00 O ATOM 0 H GLY A 26 1.443 -5.728 8.026 1.00 1.00 H new ATOM 0 HA2 GLY A 26 1.998 -5.215 5.119 1.00 1.00 H new ATOM 0 HA3 GLY A 26 3.116 -4.790 6.400 1.00 1.00 H new ATOM 390 N LYS A 27 3.321 -7.233 4.900 1.00 1.00 N ATOM 391 CA LYS A 27 3.918 -8.557 4.608 1.00 1.00 C ATOM 392 C LYS A 27 5.343 -8.421 4.047 1.00 1.00 C ATOM 393 O LYS A 27 5.737 -7.370 3.590 1.00 1.00 O ATOM 394 CB LYS A 27 2.933 -9.164 3.644 1.00 1.00 C ATOM 395 CG LYS A 27 3.449 -10.401 2.938 1.00 1.00 C ATOM 396 CD LYS A 27 2.635 -10.519 1.666 1.00 1.00 C ATOM 397 CE LYS A 27 1.217 -11.064 1.929 1.00 1.00 C ATOM 398 NZ LYS A 27 0.462 -11.138 0.648 1.00 1.00 N ATOM 0 H LYS A 27 3.267 -6.614 4.091 1.00 1.00 H new ATOM 0 HA LYS A 27 4.060 -9.187 5.486 1.00 1.00 H new ATOM 0 HB2 LYS A 27 2.021 -9.419 4.184 1.00 1.00 H new ATOM 0 HB3 LYS A 27 2.663 -8.417 2.897 1.00 1.00 H new ATOM 0 HG2 LYS A 27 4.512 -10.309 2.715 1.00 1.00 H new ATOM 0 HG3 LYS A 27 3.329 -11.286 3.562 1.00 1.00 H new ATOM 0 HD2 LYS A 27 2.564 -9.541 1.190 1.00 1.00 H new ATOM 0 HD3 LYS A 27 3.151 -11.177 0.966 1.00 1.00 H new ATOM 0 HE2 LYS A 27 1.276 -12.052 2.385 1.00 1.00 H new ATOM 0 HE3 LYS A 27 0.694 -10.418 2.634 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -0.499 -11.490 0.831 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 0.409 -10.191 0.221 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 0.949 -11.785 -0.005 1.00 1.00 H new ATOM 412 N CYS A 28 6.071 -9.505 4.100 1.00 1.00 N ATOM 413 CA CYS A 28 7.475 -9.543 3.597 1.00 1.00 C ATOM 414 C CYS A 28 7.529 -10.333 2.284 1.00 1.00 C ATOM 415 O CYS A 28 7.246 -11.513 2.248 1.00 1.00 O ATOM 416 CB CYS A 28 8.311 -10.194 4.679 1.00 1.00 C ATOM 417 SG CYS A 28 10.046 -10.584 4.339 1.00 1.00 S ATOM 0 H CYS A 28 5.740 -10.391 4.482 1.00 1.00 H new ATOM 0 HA CYS A 28 7.859 -8.545 3.385 1.00 1.00 H new ATOM 0 HB2 CYS A 28 8.286 -9.540 5.551 1.00 1.00 H new ATOM 0 HB3 CYS A 28 7.815 -11.122 4.963 1.00 1.00 H new ATOM 422 N MET A 29 7.893 -9.624 1.243 1.00 1.00 N ATOM 423 CA MET A 29 7.999 -10.213 -0.122 1.00 1.00 C ATOM 424 C MET A 29 9.294 -9.723 -0.751 1.00 1.00 C ATOM 425 O MET A 29 9.660 -8.577 -0.582 1.00 1.00 O ATOM 426 CB MET A 29 6.809 -9.761 -0.991 1.00 1.00 C ATOM 427 CG MET A 29 5.504 -10.330 -0.424 1.00 1.00 C ATOM 428 SD MET A 29 3.971 -9.936 -1.304 1.00 1.00 S ATOM 429 CE MET A 29 4.048 -11.244 -2.556 1.00 1.00 C ATOM 0 H MET A 29 8.127 -8.632 1.289 1.00 1.00 H new ATOM 0 HA MET A 29 7.990 -11.301 -0.056 1.00 1.00 H new ATOM 0 HB2 MET A 29 6.760 -8.672 -1.018 1.00 1.00 H new ATOM 0 HB3 MET A 29 6.948 -10.100 -2.018 1.00 1.00 H new ATOM 0 HG2 MET A 29 5.599 -11.415 -0.383 1.00 1.00 H new ATOM 0 HG3 MET A 29 5.402 -9.980 0.603 1.00 1.00 H new ATOM 0 HE1 MET A 29 3.178 -11.174 -3.209 1.00 1.00 H new ATOM 0 HE2 MET A 29 4.956 -11.129 -3.147 1.00 1.00 H new ATOM 0 HE3 MET A 29 4.056 -12.217 -2.065 1.00 1.00 H new ATOM 439 N ASN A 30 9.930 -10.611 -1.471 1.00 1.00 N ATOM 440 CA ASN A 30 11.228 -10.302 -2.160 1.00 1.00 C ATOM 441 C ASN A 30 12.155 -9.612 -1.142 1.00 1.00 C ATOM 442 O ASN A 30 12.734 -8.576 -1.399 1.00 1.00 O ATOM 443 CB ASN A 30 10.935 -9.375 -3.367 1.00 1.00 C ATOM 444 CG ASN A 30 9.895 -10.038 -4.280 1.00 1.00 C ATOM 445 OD1 ASN A 30 10.135 -11.072 -4.873 1.00 1.00 O ATOM 446 ND2 ASN A 30 8.727 -9.474 -4.414 1.00 1.00 N ATOM 0 H ASN A 30 9.597 -11.564 -1.616 1.00 1.00 H new ATOM 0 HA ASN A 30 11.714 -11.206 -2.527 1.00 1.00 H new ATOM 0 HB2 ASN A 30 10.566 -8.411 -3.018 1.00 1.00 H new ATOM 0 HB3 ASN A 30 11.853 -9.183 -3.923 1.00 1.00 H new ATOM 0 HD21 ASN A 30 8.021 -9.900 -5.014 1.00 1.00 H new ATOM 0 HD22 ASN A 30 8.520 -8.607 -3.919 1.00 1.00 H new ATOM 453 N SER A 31 12.244 -10.259 -0.010 1.00 1.00 N ATOM 454 CA SER A 31 13.075 -9.793 1.143 1.00 1.00 C ATOM 455 C SER A 31 12.911 -8.292 1.455 1.00 1.00 C ATOM 456 O SER A 31 13.824 -7.672 1.961 1.00 1.00 O ATOM 457 CB SER A 31 14.556 -10.111 0.829 1.00 1.00 C ATOM 458 OG SER A 31 14.577 -11.520 0.652 1.00 1.00 O ATOM 0 H SER A 31 11.751 -11.133 0.170 1.00 1.00 H new ATOM 0 HA SER A 31 12.734 -10.320 2.034 1.00 1.00 H new ATOM 0 HB2 SER A 31 14.894 -9.591 -0.068 1.00 1.00 H new ATOM 0 HB3 SER A 31 15.212 -9.802 1.643 1.00 1.00 H new ATOM 0 HG SER A 31 15.490 -11.810 0.445 1.00 1.00 H new ATOM 464 N LYS A 32 11.749 -7.762 1.145 1.00 1.00 N ATOM 465 CA LYS A 32 11.445 -6.311 1.396 1.00 1.00 C ATOM 466 C LYS A 32 10.059 -6.252 2.031 1.00 1.00 C ATOM 467 O LYS A 32 9.238 -7.098 1.733 1.00 1.00 O ATOM 468 CB LYS A 32 11.416 -5.487 0.079 1.00 1.00 C ATOM 469 CG LYS A 32 12.793 -4.857 -0.262 1.00 1.00 C ATOM 470 CD LYS A 32 13.776 -5.882 -0.849 1.00 1.00 C ATOM 471 CE LYS A 32 15.126 -5.201 -1.114 1.00 1.00 C ATOM 472 NZ LYS A 32 16.091 -6.192 -1.670 1.00 1.00 N ATOM 0 H LYS A 32 10.982 -8.284 0.720 1.00 1.00 H new ATOM 0 HA LYS A 32 12.220 -5.888 2.035 1.00 1.00 H new ATOM 0 HB2 LYS A 32 11.103 -6.132 -0.742 1.00 1.00 H new ATOM 0 HB3 LYS A 32 10.671 -4.697 0.166 1.00 1.00 H new ATOM 0 HG2 LYS A 32 12.651 -4.044 -0.974 1.00 1.00 H new ATOM 0 HG3 LYS A 32 13.223 -4.420 0.639 1.00 1.00 H new ATOM 0 HD2 LYS A 32 13.906 -6.715 -0.158 1.00 1.00 H new ATOM 0 HD3 LYS A 32 13.377 -6.296 -1.775 1.00 1.00 H new ATOM 0 HE2 LYS A 32 14.996 -4.375 -1.813 1.00 1.00 H new ATOM 0 HE3 LYS A 32 15.518 -4.778 -0.189 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 17.004 -5.726 -1.848 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 16.225 -6.966 -0.989 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 15.719 -6.576 -2.562 1.00 1.00 H new ATOM 486 N CYS A 33 9.803 -5.280 2.872 1.00 1.00 N ATOM 487 CA CYS A 33 8.439 -5.237 3.487 1.00 1.00 C ATOM 488 C CYS A 33 7.388 -4.807 2.447 1.00 1.00 C ATOM 489 O CYS A 33 7.713 -4.351 1.368 1.00 1.00 O ATOM 490 CB CYS A 33 8.488 -4.267 4.693 1.00 1.00 C ATOM 491 SG CYS A 33 6.970 -3.937 5.624 1.00 1.00 S ATOM 0 H CYS A 33 10.449 -4.542 3.151 1.00 1.00 H new ATOM 0 HA CYS A 33 8.145 -6.227 3.834 1.00 1.00 H new ATOM 0 HB2 CYS A 33 9.226 -4.654 5.396 1.00 1.00 H new ATOM 0 HB3 CYS A 33 8.864 -3.311 4.330 1.00 1.00 H new ATOM 496 N ARG A 34 6.148 -4.986 2.804 1.00 1.00 N ATOM 497 CA ARG A 34 5.014 -4.616 1.928 1.00 1.00 C ATOM 498 C ARG A 34 3.929 -4.170 2.887 1.00 1.00 C ATOM 499 O ARG A 34 3.850 -4.668 3.991 1.00 1.00 O ATOM 500 CB ARG A 34 4.587 -5.831 1.151 1.00 1.00 C ATOM 501 CG ARG A 34 3.610 -5.449 0.052 1.00 1.00 C ATOM 502 CD ARG A 34 3.394 -6.641 -0.883 1.00 1.00 C ATOM 503 NE ARG A 34 4.715 -6.978 -1.501 1.00 1.00 N ATOM 504 CZ ARG A 34 4.900 -6.857 -2.788 1.00 1.00 C ATOM 505 NH1 ARG A 34 4.824 -5.671 -3.328 1.00 1.00 N ATOM 506 NH2 ARG A 34 5.156 -7.925 -3.491 1.00 1.00 N ATOM 0 H ARG A 34 5.870 -5.388 3.699 1.00 1.00 H new ATOM 0 HA ARG A 34 5.253 -3.836 1.205 1.00 1.00 H new ATOM 0 HB2 ARG A 34 5.461 -6.316 0.715 1.00 1.00 H new ATOM 0 HB3 ARG A 34 4.123 -6.554 1.822 1.00 1.00 H new ATOM 0 HG2 ARG A 34 2.660 -5.140 0.488 1.00 1.00 H new ATOM 0 HG3 ARG A 34 3.995 -4.598 -0.510 1.00 1.00 H new ATOM 0 HD2 ARG A 34 3.001 -7.494 -0.330 1.00 1.00 H new ATOM 0 HD3 ARG A 34 2.663 -6.396 -1.653 1.00 1.00 H new ATOM 0 HE ARG A 34 5.479 -7.306 -0.910 1.00 1.00 H new ATOM 0 HH11 ARG A 34 4.623 -4.858 -2.746 1.00 1.00 H new ATOM 0 HH12 ARG A 34 4.966 -5.558 -4.332 1.00 1.00 H new ATOM 0 HH21 ARG A 34 5.209 -8.836 -3.034 1.00 1.00 H new ATOM 0 HH22 ARG A 34 5.303 -7.850 -4.498 1.00 1.00 H new ATOM 520 N CYS A 35 3.136 -3.258 2.414 1.00 1.00 N ATOM 521 CA CYS A 35 2.012 -2.704 3.240 1.00 1.00 C ATOM 522 C CYS A 35 0.664 -2.801 2.527 1.00 1.00 C ATOM 523 O CYS A 35 0.579 -2.790 1.315 1.00 1.00 O ATOM 524 CB CYS A 35 2.294 -1.232 3.570 1.00 1.00 C ATOM 525 SG CYS A 35 1.284 -0.475 4.867 1.00 1.00 S ATOM 0 H CYS A 35 3.212 -2.861 1.478 1.00 1.00 H new ATOM 0 HA CYS A 35 1.955 -3.301 4.150 1.00 1.00 H new ATOM 0 HB2 CYS A 35 3.341 -1.144 3.861 1.00 1.00 H new ATOM 0 HB3 CYS A 35 2.167 -0.649 2.658 1.00 1.00 H new ATOM 530 N TYR A 36 -0.349 -2.897 3.336 1.00 1.00 N ATOM 531 CA TYR A 36 -1.749 -3.001 2.856 1.00 1.00 C ATOM 532 C TYR A 36 -2.576 -1.915 3.564 1.00 1.00 C ATOM 533 O TYR A 36 -2.020 -1.074 4.248 1.00 1.00 O ATOM 534 CB TYR A 36 -2.236 -4.422 3.192 1.00 1.00 C ATOM 535 CG TYR A 36 -1.398 -5.480 2.430 1.00 1.00 C ATOM 536 CD1 TYR A 36 -0.054 -5.690 2.705 1.00 1.00 C ATOM 537 CD2 TYR A 36 -1.984 -6.243 1.438 1.00 1.00 C ATOM 538 CE1 TYR A 36 0.673 -6.623 2.017 1.00 1.00 C ATOM 539 CE2 TYR A 36 -1.245 -7.180 0.746 1.00 1.00 C ATOM 540 CZ TYR A 36 0.087 -7.375 1.032 1.00 1.00 C ATOM 541 OH TYR A 36 0.810 -8.313 0.328 1.00 1.00 O ATOM 0 H TYR A 36 -0.258 -2.908 4.352 1.00 1.00 H new ATOM 0 HA TYR A 36 -1.845 -2.844 1.782 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -2.160 -4.594 4.266 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -3.288 -4.524 2.927 1.00 1.00 H new ATOM 0 HD1 TYR A 36 0.427 -5.106 3.476 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -3.029 -6.105 1.203 1.00 1.00 H new ATOM 0 HE1 TYR A 36 1.717 -6.768 2.252 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -1.717 -7.767 -0.028 1.00 1.00 H new ATOM 0 HH TYR A 36 0.669 -8.181 -0.633 1.00 1.00 H new