USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 270 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 3 THR OG1 : rot 19:sc= 0.0977 USER MOD Single : A 6 LYS NZ :NH3+ 163:sc= -0.0265 (180deg=-0.357) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 37:sc= 0.522 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.913 K(o=-0.91,f=-4.3!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -2.67! C(o=-2.7!,f=-2.7!) USER MOD Single : A 20 MET CE :methyl -178:sc= -0.805 (180deg=-0.817) USER MOD Single : A 23 LYS NZ :NH3+ -173:sc= 0.04 (180deg=0.0322) USER MOD Single : A 25 ASN :FLIP amide:sc= 0.975 F(o=-0.13,f=0.98) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 141:sc= -0.108 (180deg=-0.999) USER MOD Single : A 30 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.22) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot -90:sc= -2.53! USER MOD Single : A 37 SER OG : rot 61:sc= 0.283 USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 2 4.576 0.528 -0.940 1.00 1.00 N ATOM 16 CA PHE A 2 5.014 1.853 -1.389 1.00 1.00 C ATOM 17 C PHE A 2 4.088 2.510 -2.419 1.00 1.00 C ATOM 18 O PHE A 2 3.478 1.856 -3.244 1.00 1.00 O ATOM 19 CB PHE A 2 6.416 1.600 -1.906 1.00 1.00 C ATOM 20 CG PHE A 2 6.479 0.458 -2.945 1.00 1.00 C ATOM 21 CD1 PHE A 2 6.016 0.639 -4.236 1.00 1.00 C ATOM 22 CD2 PHE A 2 7.002 -0.766 -2.589 1.00 1.00 C ATOM 23 CE1 PHE A 2 6.072 -0.381 -5.153 1.00 1.00 C ATOM 24 CE2 PHE A 2 7.058 -1.794 -3.505 1.00 1.00 C ATOM 25 CZ PHE A 2 6.593 -1.603 -4.788 1.00 1.00 C ATOM 0 HA PHE A 2 4.989 2.586 -0.583 1.00 1.00 H new ATOM 0 HB2 PHE A 2 6.802 2.515 -2.356 1.00 1.00 H new ATOM 0 HB3 PHE A 2 7.068 1.357 -1.067 1.00 1.00 H new ATOM 0 HD1 PHE A 2 5.605 1.595 -4.526 1.00 1.00 H new ATOM 0 HD2 PHE A 2 7.370 -0.921 -1.586 1.00 1.00 H new ATOM 0 HE1 PHE A 2 5.709 -0.226 -6.158 1.00 1.00 H new ATOM 0 HE2 PHE A 2 7.467 -2.751 -3.217 1.00 1.00 H new ATOM 0 HZ PHE A 2 6.637 -2.409 -5.505 1.00 1.00 H new ATOM 35 N THR A 3 4.034 3.811 -2.298 1.00 1.00 N ATOM 36 CA THR A 3 3.202 4.675 -3.192 1.00 1.00 C ATOM 37 C THR A 3 4.048 5.854 -3.675 1.00 1.00 C ATOM 38 O THR A 3 5.154 6.056 -3.214 1.00 1.00 O ATOM 39 CB THR A 3 1.968 5.212 -2.421 1.00 1.00 C ATOM 40 OG1 THR A 3 2.475 5.739 -1.203 1.00 1.00 O ATOM 41 CG2 THR A 3 1.016 4.070 -2.013 1.00 1.00 C ATOM 0 H THR A 3 4.552 4.330 -1.589 1.00 1.00 H new ATOM 0 HA THR A 3 2.859 4.086 -4.043 1.00 1.00 H new ATOM 0 HB THR A 3 1.433 5.928 -3.046 1.00 1.00 H new ATOM 0 HG1 THR A 3 3.436 5.908 -1.295 1.00 1.00 H new ATOM 0 HG21 THR A 3 0.163 4.482 -1.475 1.00 1.00 H new ATOM 0 HG22 THR A 3 0.666 3.552 -2.906 1.00 1.00 H new ATOM 0 HG23 THR A 3 1.545 3.367 -1.370 1.00 1.00 H new ATOM 49 N ASP A 4 3.486 6.594 -4.596 1.00 1.00 N ATOM 50 CA ASP A 4 4.189 7.781 -5.159 1.00 1.00 C ATOM 51 C ASP A 4 3.294 9.010 -4.941 1.00 1.00 C ATOM 52 O ASP A 4 3.015 9.757 -5.861 1.00 1.00 O ATOM 53 CB ASP A 4 4.454 7.507 -6.659 1.00 1.00 C ATOM 54 CG ASP A 4 5.350 8.580 -7.335 1.00 1.00 C ATOM 55 OD1 ASP A 4 5.722 9.545 -6.685 1.00 1.00 O ATOM 56 OD2 ASP A 4 5.618 8.361 -8.503 1.00 1.00 O ATOM 0 H ASP A 4 2.559 6.422 -4.985 1.00 1.00 H new ATOM 0 HA ASP A 4 5.146 7.969 -4.672 1.00 1.00 H new ATOM 0 HB2 ASP A 4 4.928 6.531 -6.764 1.00 1.00 H new ATOM 0 HB3 ASP A 4 3.501 7.457 -7.185 1.00 1.00 H new ATOM 61 N VAL A 5 2.869 9.179 -3.710 1.00 1.00 N ATOM 62 CA VAL A 5 1.990 10.341 -3.369 1.00 1.00 C ATOM 63 C VAL A 5 2.713 11.342 -2.444 1.00 1.00 C ATOM 64 O VAL A 5 3.269 10.989 -1.422 1.00 1.00 O ATOM 65 CB VAL A 5 0.710 9.801 -2.686 1.00 1.00 C ATOM 66 CG1 VAL A 5 -0.258 10.969 -2.418 1.00 1.00 C ATOM 67 CG2 VAL A 5 0.013 8.776 -3.609 1.00 1.00 C ATOM 0 H VAL A 5 3.093 8.563 -2.929 1.00 1.00 H new ATOM 0 HA VAL A 5 1.732 10.877 -4.283 1.00 1.00 H new ATOM 0 HB VAL A 5 0.984 9.319 -1.747 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -1.160 10.591 -1.937 1.00 1.00 H new ATOM 0 HG12 VAL A 5 0.223 11.698 -1.765 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -0.523 11.446 -3.362 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -0.887 8.400 -3.122 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -0.257 9.258 -4.549 1.00 1.00 H new ATOM 0 HG23 VAL A 5 0.691 7.946 -3.808 1.00 1.00 H new ATOM 77 N LYS A 6 2.657 12.573 -2.886 1.00 1.00 N ATOM 78 CA LYS A 6 3.270 13.749 -2.196 1.00 1.00 C ATOM 79 C LYS A 6 3.183 13.827 -0.652 1.00 1.00 C ATOM 80 O LYS A 6 2.156 14.163 -0.098 1.00 1.00 O ATOM 81 CB LYS A 6 2.645 15.026 -2.809 1.00 1.00 C ATOM 82 CG LYS A 6 1.094 14.976 -2.777 1.00 1.00 C ATOM 83 CD LYS A 6 0.522 16.337 -3.211 1.00 1.00 C ATOM 84 CE LYS A 6 0.831 16.644 -4.694 1.00 1.00 C ATOM 85 NZ LYS A 6 0.243 15.598 -5.578 1.00 1.00 N ATOM 0 H LYS A 6 2.180 12.822 -3.752 1.00 1.00 H new ATOM 0 HA LYS A 6 4.341 13.640 -2.368 1.00 1.00 H new ATOM 0 HB2 LYS A 6 2.993 15.901 -2.260 1.00 1.00 H new ATOM 0 HB3 LYS A 6 2.985 15.140 -3.838 1.00 1.00 H new ATOM 0 HG2 LYS A 6 0.732 14.190 -3.440 1.00 1.00 H new ATOM 0 HG3 LYS A 6 0.749 14.729 -1.773 1.00 1.00 H new ATOM 0 HD2 LYS A 6 -0.557 16.344 -3.056 1.00 1.00 H new ATOM 0 HD3 LYS A 6 0.939 17.124 -2.583 1.00 1.00 H new ATOM 0 HE2 LYS A 6 0.429 17.621 -4.960 1.00 1.00 H new ATOM 0 HE3 LYS A 6 1.910 16.691 -4.844 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 0.203 15.952 -6.555 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 0.833 14.743 -5.544 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 -0.718 15.369 -5.253 1.00 1.00 H new ATOM 99 N CYS A 7 4.277 13.505 -0.005 1.00 1.00 N ATOM 100 CA CYS A 7 4.326 13.551 1.486 1.00 1.00 C ATOM 101 C CYS A 7 5.494 14.425 1.935 1.00 1.00 C ATOM 102 O CYS A 7 6.334 14.825 1.151 1.00 1.00 O ATOM 103 CB CYS A 7 4.550 12.160 2.103 1.00 1.00 C ATOM 104 SG CYS A 7 6.054 11.268 1.638 1.00 1.00 S ATOM 0 H CYS A 7 5.145 13.210 -0.453 1.00 1.00 H new ATOM 0 HA CYS A 7 3.366 13.947 1.818 1.00 1.00 H new ATOM 0 HB2 CYS A 7 4.546 12.269 3.188 1.00 1.00 H new ATOM 0 HB3 CYS A 7 3.695 11.536 1.843 1.00 1.00 H new ATOM 109 N THR A 8 5.481 14.679 3.214 1.00 1.00 N ATOM 110 CA THR A 8 6.485 15.485 3.905 1.00 1.00 C ATOM 111 C THR A 8 7.095 14.597 5.000 1.00 1.00 C ATOM 112 O THR A 8 8.294 14.588 5.198 1.00 1.00 O ATOM 113 CB THR A 8 5.793 16.757 4.492 1.00 1.00 C ATOM 114 OG1 THR A 8 6.873 17.524 5.007 1.00 1.00 O ATOM 115 CG2 THR A 8 4.920 16.486 5.738 1.00 1.00 C ATOM 0 H THR A 8 4.754 14.326 3.836 1.00 1.00 H new ATOM 0 HA THR A 8 7.278 15.826 3.239 1.00 1.00 H new ATOM 0 HB THR A 8 5.168 17.198 3.715 1.00 1.00 H new ATOM 0 HG1 THR A 8 6.528 18.353 5.399 1.00 1.00 H new ATOM 0 HG21 THR A 8 4.477 17.421 6.082 1.00 1.00 H new ATOM 0 HG22 THR A 8 4.129 15.782 5.482 1.00 1.00 H new ATOM 0 HG23 THR A 8 5.538 16.064 6.531 1.00 1.00 H new ATOM 123 N GLY A 9 6.228 13.881 5.673 1.00 1.00 N ATOM 124 CA GLY A 9 6.653 12.968 6.772 1.00 1.00 C ATOM 125 C GLY A 9 5.632 11.839 6.936 1.00 1.00 C ATOM 126 O GLY A 9 4.532 11.922 6.423 1.00 1.00 O ATOM 0 H GLY A 9 5.223 13.894 5.501 1.00 1.00 H new ATOM 0 HA2 GLY A 9 7.636 12.552 6.551 1.00 1.00 H new ATOM 0 HA3 GLY A 9 6.745 13.525 7.704 1.00 1.00 H new ATOM 130 N SER A 10 6.048 10.822 7.649 1.00 1.00 N ATOM 131 CA SER A 10 5.190 9.627 7.922 1.00 1.00 C ATOM 132 C SER A 10 3.729 10.023 8.225 1.00 1.00 C ATOM 133 O SER A 10 2.807 9.621 7.544 1.00 1.00 O ATOM 134 CB SER A 10 5.806 8.875 9.109 1.00 1.00 C ATOM 135 OG SER A 10 4.920 7.796 9.370 1.00 1.00 O ATOM 0 H SER A 10 6.977 10.770 8.066 1.00 1.00 H new ATOM 0 HA SER A 10 5.158 8.992 7.037 1.00 1.00 H new ATOM 0 HB2 SER A 10 6.806 8.514 8.869 1.00 1.00 H new ATOM 0 HB3 SER A 10 5.902 9.524 9.979 1.00 1.00 H new ATOM 0 HG SER A 10 4.572 7.446 8.523 1.00 1.00 H new ATOM 141 N LYS A 11 3.599 10.812 9.263 1.00 1.00 N ATOM 142 CA LYS A 11 2.293 11.333 9.754 1.00 1.00 C ATOM 143 C LYS A 11 1.349 11.824 8.655 1.00 1.00 C ATOM 144 O LYS A 11 0.168 11.550 8.696 1.00 1.00 O ATOM 145 CB LYS A 11 2.617 12.455 10.763 1.00 1.00 C ATOM 146 CG LYS A 11 3.444 13.600 10.102 1.00 1.00 C ATOM 147 CD LYS A 11 3.805 14.693 11.137 1.00 1.00 C ATOM 148 CE LYS A 11 4.772 14.147 12.206 1.00 1.00 C ATOM 149 NZ LYS A 11 5.149 15.237 13.149 1.00 1.00 N ATOM 0 H LYS A 11 4.394 11.130 9.817 1.00 1.00 H new ATOM 0 HA LYS A 11 1.742 10.514 10.217 1.00 1.00 H new ATOM 0 HB2 LYS A 11 1.690 12.861 11.166 1.00 1.00 H new ATOM 0 HB3 LYS A 11 3.175 12.040 11.603 1.00 1.00 H new ATOM 0 HG2 LYS A 11 4.356 13.190 9.667 1.00 1.00 H new ATOM 0 HG3 LYS A 11 2.872 14.042 9.286 1.00 1.00 H new ATOM 0 HD2 LYS A 11 4.262 15.543 10.629 1.00 1.00 H new ATOM 0 HD3 LYS A 11 2.897 15.059 11.616 1.00 1.00 H new ATOM 0 HE2 LYS A 11 4.302 13.329 12.751 1.00 1.00 H new ATOM 0 HE3 LYS A 11 5.664 13.741 11.729 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 5.801 14.864 13.868 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 5.615 16.005 12.624 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 4.295 15.605 13.614 1.00 1.00 H new ATOM 163 N GLN A 12 1.898 12.545 7.712 1.00 1.00 N ATOM 164 CA GLN A 12 1.072 13.079 6.585 1.00 1.00 C ATOM 165 C GLN A 12 0.627 11.951 5.642 1.00 1.00 C ATOM 166 O GLN A 12 -0.445 11.971 5.084 1.00 1.00 O ATOM 167 CB GLN A 12 1.885 14.095 5.843 1.00 1.00 C ATOM 168 CG GLN A 12 1.029 14.812 4.768 1.00 1.00 C ATOM 169 CD GLN A 12 1.854 15.918 4.096 1.00 1.00 C ATOM 170 OE1 GLN A 12 2.835 15.666 3.426 1.00 1.00 O ATOM 171 NE2 GLN A 12 1.490 17.161 4.252 1.00 1.00 N ATOM 0 H GLN A 12 2.888 12.789 7.673 1.00 1.00 H new ATOM 0 HA GLN A 12 0.169 13.542 6.984 1.00 1.00 H new ATOM 0 HB2 GLN A 12 2.285 14.828 6.543 1.00 1.00 H new ATOM 0 HB3 GLN A 12 2.738 13.609 5.369 1.00 1.00 H new ATOM 0 HG2 GLN A 12 0.691 14.094 4.021 1.00 1.00 H new ATOM 0 HG3 GLN A 12 0.137 15.239 5.226 1.00 1.00 H new ATOM 0 HE21 GLN A 12 0.668 17.385 4.812 1.00 1.00 H new ATOM 0 HE22 GLN A 12 2.028 17.909 3.813 1.00 1.00 H new ATOM 180 N CYS A 13 1.498 10.985 5.510 1.00 1.00 N ATOM 181 CA CYS A 13 1.225 9.818 4.626 1.00 1.00 C ATOM 182 C CYS A 13 0.240 8.821 5.250 1.00 1.00 C ATOM 183 O CYS A 13 -0.227 7.935 4.567 1.00 1.00 O ATOM 184 CB CYS A 13 2.561 9.151 4.320 1.00 1.00 C ATOM 185 SG CYS A 13 2.528 7.501 3.591 1.00 1.00 S ATOM 0 H CYS A 13 2.400 10.957 5.985 1.00 1.00 H new ATOM 0 HA CYS A 13 0.747 10.166 3.710 1.00 1.00 H new ATOM 0 HB2 CYS A 13 3.115 9.804 3.646 1.00 1.00 H new ATOM 0 HB3 CYS A 13 3.129 9.096 5.249 1.00 1.00 H new ATOM 190 N TRP A 14 -0.035 8.978 6.521 1.00 1.00 N ATOM 191 CA TRP A 14 -0.987 8.057 7.201 1.00 1.00 C ATOM 192 C TRP A 14 -2.426 8.268 6.647 1.00 1.00 C ATOM 193 O TRP A 14 -3.002 7.321 6.147 1.00 1.00 O ATOM 194 CB TRP A 14 -0.903 8.357 8.707 1.00 1.00 C ATOM 195 CG TRP A 14 0.175 7.522 9.403 1.00 1.00 C ATOM 196 CD1 TRP A 14 1.413 7.241 8.904 1.00 1.00 C ATOM 197 CD2 TRP A 14 0.055 6.957 10.625 1.00 1.00 C ATOM 198 NE1 TRP A 14 1.962 6.520 9.861 1.00 1.00 N ATOM 199 CE2 TRP A 14 1.232 6.290 10.938 1.00 1.00 C ATOM 200 CE3 TRP A 14 -0.995 6.951 11.536 1.00 1.00 C ATOM 201 CZ2 TRP A 14 1.363 5.620 12.151 1.00 1.00 C ATOM 202 CZ3 TRP A 14 -0.867 6.280 12.751 1.00 1.00 C ATOM 203 CH2 TRP A 14 0.308 5.614 13.059 1.00 1.00 C ATOM 0 H TRP A 14 0.361 9.706 7.115 1.00 1.00 H new ATOM 0 HA TRP A 14 -0.733 7.013 7.018 1.00 1.00 H new ATOM 0 HB2 TRP A 14 -0.691 9.416 8.854 1.00 1.00 H new ATOM 0 HB3 TRP A 14 -1.870 8.158 9.170 1.00 1.00 H new ATOM 0 HD1 TRP A 14 1.839 7.537 7.957 1.00 1.00 H new ATOM 0 HE1 TRP A 14 2.910 6.155 9.774 1.00 1.00 H new ATOM 0 HE3 TRP A 14 -1.914 7.468 11.301 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 2.282 5.105 12.387 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 -1.686 6.279 13.454 1.00 1.00 H new ATOM 0 HH2 TRP A 14 0.405 5.092 14.000 1.00 1.00 H new ATOM 214 N PRO A 15 -2.977 9.467 6.732 1.00 1.00 N ATOM 215 CA PRO A 15 -4.297 9.796 6.127 1.00 1.00 C ATOM 216 C PRO A 15 -4.226 9.646 4.605 1.00 1.00 C ATOM 217 O PRO A 15 -5.139 9.113 4.010 1.00 1.00 O ATOM 218 CB PRO A 15 -4.588 11.226 6.596 1.00 1.00 C ATOM 219 CG PRO A 15 -3.175 11.821 6.745 1.00 1.00 C ATOM 220 CD PRO A 15 -2.399 10.668 7.402 1.00 1.00 C ATOM 0 HA PRO A 15 -5.104 9.130 6.433 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -5.186 11.777 5.871 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -5.136 11.241 7.538 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -2.748 12.101 5.782 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -3.175 12.717 7.366 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -1.326 10.751 7.230 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -2.548 10.642 8.481 1.00 1.00 H new ATOM 228 N VAL A 16 -3.155 10.124 4.015 1.00 1.00 N ATOM 229 CA VAL A 16 -3.008 10.007 2.530 1.00 1.00 C ATOM 230 C VAL A 16 -3.160 8.537 2.105 1.00 1.00 C ATOM 231 O VAL A 16 -3.852 8.245 1.150 1.00 1.00 O ATOM 232 CB VAL A 16 -1.645 10.565 2.150 1.00 1.00 C ATOM 233 CG1 VAL A 16 -1.273 10.234 0.687 1.00 1.00 C ATOM 234 CG2 VAL A 16 -1.662 12.104 2.302 1.00 1.00 C ATOM 0 H VAL A 16 -2.382 10.587 4.494 1.00 1.00 H new ATOM 0 HA VAL A 16 -3.783 10.573 2.014 1.00 1.00 H new ATOM 0 HB VAL A 16 -0.909 10.108 2.811 1.00 1.00 H new ATOM 0 HG11 VAL A 16 -0.292 10.651 0.458 1.00 1.00 H new ATOM 0 HG12 VAL A 16 -1.247 9.152 0.554 1.00 1.00 H new ATOM 0 HG13 VAL A 16 -2.016 10.665 0.016 1.00 1.00 H new ATOM 0 HG21 VAL A 16 -0.686 12.507 2.030 1.00 1.00 H new ATOM 0 HG22 VAL A 16 -2.424 12.526 1.647 1.00 1.00 H new ATOM 0 HG23 VAL A 16 -1.887 12.365 3.336 1.00 1.00 H new ATOM 244 N CYS A 17 -2.510 7.662 2.834 1.00 1.00 N ATOM 245 CA CYS A 17 -2.597 6.207 2.503 1.00 1.00 C ATOM 246 C CYS A 17 -4.012 5.723 2.840 1.00 1.00 C ATOM 247 O CYS A 17 -4.572 4.936 2.107 1.00 1.00 O ATOM 248 CB CYS A 17 -1.595 5.383 3.325 1.00 1.00 C ATOM 249 SG CYS A 17 -1.662 3.614 2.940 1.00 1.00 S ATOM 0 H CYS A 17 -1.927 7.891 3.639 1.00 1.00 H new ATOM 0 HA CYS A 17 -2.367 6.076 1.446 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -0.587 5.753 3.138 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -1.796 5.528 4.386 1.00 1.00 H new ATOM 254 N LYS A 18 -4.546 6.200 3.941 1.00 1.00 N ATOM 255 CA LYS A 18 -5.929 5.806 4.369 1.00 1.00 C ATOM 256 C LYS A 18 -6.882 6.026 3.171 1.00 1.00 C ATOM 257 O LYS A 18 -7.730 5.216 2.854 1.00 1.00 O ATOM 258 CB LYS A 18 -6.367 6.690 5.556 1.00 1.00 C ATOM 259 CG LYS A 18 -7.681 6.206 6.152 1.00 1.00 C ATOM 260 CD LYS A 18 -8.246 7.246 7.158 1.00 1.00 C ATOM 261 CE LYS A 18 -7.306 7.447 8.367 1.00 1.00 C ATOM 262 NZ LYS A 18 -7.869 8.485 9.275 1.00 1.00 N ATOM 0 H LYS A 18 -4.077 6.853 4.569 1.00 1.00 H new ATOM 0 HA LYS A 18 -5.952 4.761 4.680 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -5.593 6.682 6.323 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -6.475 7.722 5.223 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -8.405 6.033 5.356 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -7.527 5.252 6.656 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -8.393 8.199 6.650 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -9.224 6.917 7.509 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -7.184 6.507 8.905 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -6.316 7.748 8.024 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -7.233 8.617 10.087 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -7.963 9.383 8.759 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -8.804 8.180 9.613 1.00 1.00 H new ATOM 276 N GLN A 19 -6.685 7.155 2.545 1.00 1.00 N ATOM 277 CA GLN A 19 -7.507 7.550 1.363 1.00 1.00 C ATOM 278 C GLN A 19 -7.206 6.708 0.108 1.00 1.00 C ATOM 279 O GLN A 19 -8.090 6.084 -0.437 1.00 1.00 O ATOM 280 CB GLN A 19 -7.239 9.064 1.118 1.00 1.00 C ATOM 281 CG GLN A 19 -8.045 9.637 -0.070 1.00 1.00 C ATOM 282 CD GLN A 19 -7.484 9.134 -1.410 1.00 1.00 C ATOM 283 OE1 GLN A 19 -6.335 9.353 -1.740 1.00 1.00 O ATOM 284 NE2 GLN A 19 -8.260 8.454 -2.208 1.00 1.00 N ATOM 0 H GLN A 19 -5.973 7.836 2.809 1.00 1.00 H new ATOM 0 HA GLN A 19 -8.561 7.365 1.570 1.00 1.00 H new ATOM 0 HB2 GLN A 19 -7.488 9.622 2.021 1.00 1.00 H new ATOM 0 HB3 GLN A 19 -6.175 9.214 0.934 1.00 1.00 H new ATOM 0 HG2 GLN A 19 -9.092 9.347 0.022 1.00 1.00 H new ATOM 0 HG3 GLN A 19 -8.013 10.726 -0.044 1.00 1.00 H new ATOM 0 HE21 GLN A 19 -9.226 8.265 -1.941 1.00 1.00 H new ATOM 0 HE22 GLN A 19 -7.901 8.112 -3.099 1.00 1.00 H new ATOM 293 N MET A 20 -5.960 6.722 -0.285 1.00 1.00 N ATOM 294 CA MET A 20 -5.480 5.986 -1.477 1.00 1.00 C ATOM 295 C MET A 20 -5.797 4.488 -1.462 1.00 1.00 C ATOM 296 O MET A 20 -6.336 3.947 -2.406 1.00 1.00 O ATOM 297 CB MET A 20 -3.955 6.236 -1.565 1.00 1.00 C ATOM 298 CG MET A 20 -3.546 6.476 -3.014 1.00 1.00 C ATOM 299 SD MET A 20 -3.654 5.102 -4.191 1.00 1.00 S ATOM 300 CE MET A 20 -1.892 4.688 -4.239 1.00 1.00 C ATOM 0 H MET A 20 -5.227 7.240 0.200 1.00 1.00 H new ATOM 0 HA MET A 20 -6.007 6.357 -2.356 1.00 1.00 H new ATOM 0 HB2 MET A 20 -3.684 7.098 -0.955 1.00 1.00 H new ATOM 0 HB3 MET A 20 -3.414 5.379 -1.164 1.00 1.00 H new ATOM 0 HG2 MET A 20 -4.160 7.290 -3.400 1.00 1.00 H new ATOM 0 HG3 MET A 20 -2.514 6.828 -3.012 1.00 1.00 H new ATOM 0 HE1 MET A 20 -1.729 3.874 -4.945 1.00 1.00 H new ATOM 0 HE2 MET A 20 -1.321 5.562 -4.554 1.00 1.00 H new ATOM 0 HE3 MET A 20 -1.564 4.379 -3.247 1.00 1.00 H new ATOM 310 N PHE A 21 -5.438 3.890 -0.361 1.00 1.00 N ATOM 311 CA PHE A 21 -5.638 2.431 -0.119 1.00 1.00 C ATOM 312 C PHE A 21 -6.665 2.091 0.968 1.00 1.00 C ATOM 313 O PHE A 21 -7.681 1.477 0.702 1.00 1.00 O ATOM 314 CB PHE A 21 -4.274 1.842 0.249 1.00 1.00 C ATOM 315 CG PHE A 21 -3.259 1.723 -0.903 1.00 1.00 C ATOM 316 CD1 PHE A 21 -3.597 1.876 -2.241 1.00 1.00 C ATOM 317 CD2 PHE A 21 -1.941 1.437 -0.586 1.00 1.00 C ATOM 318 CE1 PHE A 21 -2.639 1.745 -3.226 1.00 1.00 C ATOM 319 CE2 PHE A 21 -0.986 1.308 -1.571 1.00 1.00 C ATOM 320 CZ PHE A 21 -1.333 1.462 -2.893 1.00 1.00 C ATOM 0 H PHE A 21 -4.993 4.376 0.417 1.00 1.00 H new ATOM 0 HA PHE A 21 -6.050 2.001 -1.032 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -3.834 2.458 1.033 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -4.431 0.850 0.673 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -4.618 2.099 -2.513 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -1.658 1.313 0.449 1.00 1.00 H new ATOM 0 HE1 PHE A 21 -2.915 1.865 -4.263 1.00 1.00 H new ATOM 0 HE2 PHE A 21 0.037 1.086 -1.304 1.00 1.00 H new ATOM 0 HZ PHE A 21 -0.585 1.362 -3.666 1.00 1.00 H new ATOM 330 N GLY A 22 -6.352 2.512 2.166 1.00 1.00 N ATOM 331 CA GLY A 22 -7.209 2.274 3.364 1.00 1.00 C ATOM 332 C GLY A 22 -6.354 1.537 4.396 1.00 1.00 C ATOM 333 O GLY A 22 -6.782 0.590 5.025 1.00 1.00 O ATOM 0 H GLY A 22 -5.499 3.034 2.369 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -7.573 3.218 3.770 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -8.085 1.683 3.098 1.00 1.00 H new ATOM 337 N LYS A 23 -5.149 2.034 4.512 1.00 1.00 N ATOM 338 CA LYS A 23 -4.126 1.493 5.449 1.00 1.00 C ATOM 339 C LYS A 23 -3.593 2.725 6.203 1.00 1.00 C ATOM 340 O LYS A 23 -2.607 3.305 5.790 1.00 1.00 O ATOM 341 CB LYS A 23 -3.018 0.795 4.618 1.00 1.00 C ATOM 342 CG LYS A 23 -3.623 -0.394 3.844 1.00 1.00 C ATOM 343 CD LYS A 23 -2.536 -1.034 2.963 1.00 1.00 C ATOM 344 CE LYS A 23 -3.104 -2.272 2.256 1.00 1.00 C ATOM 345 NZ LYS A 23 -2.041 -2.919 1.436 1.00 1.00 N ATOM 0 H LYS A 23 -4.822 2.831 3.967 1.00 1.00 H new ATOM 0 HA LYS A 23 -4.513 0.753 6.149 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -2.570 1.504 3.922 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -2.221 0.446 5.275 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -4.023 -1.131 4.541 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -4.455 -0.055 3.226 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -2.181 -0.314 2.226 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -1.678 -1.314 3.574 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -3.488 -2.978 2.992 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -3.942 -1.986 1.621 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -2.458 -3.684 0.868 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -1.612 -2.213 0.804 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -1.310 -3.312 2.063 1.00 1.00 H new ATOM 359 N PRO A 24 -4.249 3.107 7.281 1.00 1.00 N ATOM 360 CA PRO A 24 -4.145 4.477 7.869 1.00 1.00 C ATOM 361 C PRO A 24 -2.747 4.799 8.410 1.00 1.00 C ATOM 362 O PRO A 24 -2.503 5.894 8.875 1.00 1.00 O ATOM 363 CB PRO A 24 -5.221 4.490 8.945 1.00 1.00 C ATOM 364 CG PRO A 24 -5.193 3.027 9.423 1.00 1.00 C ATOM 365 CD PRO A 24 -5.166 2.255 8.087 1.00 1.00 C ATOM 0 HA PRO A 24 -4.296 5.258 7.124 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -4.989 5.189 9.749 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -6.196 4.773 8.547 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -4.317 2.814 10.035 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -6.069 2.776 10.022 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -4.787 1.240 8.206 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -6.156 2.175 7.637 1.00 1.00 H new ATOM 373 N ASN A 25 -1.879 3.829 8.331 1.00 1.00 N ATOM 374 CA ASN A 25 -0.487 3.951 8.796 1.00 1.00 C ATOM 375 C ASN A 25 0.386 4.101 7.562 1.00 1.00 C ATOM 376 O ASN A 25 -0.088 4.164 6.446 1.00 1.00 O ATOM 377 CB ASN A 25 -0.189 2.693 9.567 1.00 1.00 C ATOM 378 CG ASN A 25 -1.162 2.556 10.743 1.00 1.00 C ATOM 379 OD1 ASN A 25 -1.975 1.534 10.772 1.00 1.00 O flip ATOM 380 ND2 ASN A 25 -1.195 3.373 11.641 1.00 1.00 N flip ATOM 0 H ASN A 25 -2.101 2.913 7.941 1.00 1.00 H new ATOM 0 HA ASN A 25 -0.306 4.810 9.442 1.00 1.00 H new ATOM 0 HB2 ASN A 25 -0.274 1.826 8.911 1.00 1.00 H new ATOM 0 HB3 ASN A 25 0.837 2.716 9.934 1.00 1.00 H new ATOM 0 HD21 ASN A 25 -0.563 4.174 11.625 1.00 1.00 H new ATOM 0 HD22 ASN A 25 -1.854 3.258 12.411 1.00 1.00 H new ATOM 387 N GLY A 26 1.662 4.154 7.812 1.00 1.00 N ATOM 388 CA GLY A 26 2.631 4.299 6.686 1.00 1.00 C ATOM 389 C GLY A 26 3.800 5.220 7.013 1.00 1.00 C ATOM 390 O GLY A 26 3.938 5.700 8.119 1.00 1.00 O ATOM 0 H GLY A 26 2.078 4.104 8.742 1.00 1.00 H new ATOM 0 HA2 GLY A 26 3.016 3.315 6.418 1.00 1.00 H new ATOM 0 HA3 GLY A 26 2.107 4.685 5.812 1.00 1.00 H new ATOM 394 N LYS A 27 4.613 5.421 6.009 1.00 1.00 N ATOM 395 CA LYS A 27 5.831 6.296 6.129 1.00 1.00 C ATOM 396 C LYS A 27 5.986 7.229 4.929 1.00 1.00 C ATOM 397 O LYS A 27 5.177 7.196 4.029 1.00 1.00 O ATOM 398 CB LYS A 27 7.054 5.376 6.248 1.00 1.00 C ATOM 399 CG LYS A 27 7.182 4.871 7.660 1.00 1.00 C ATOM 400 CD LYS A 27 8.268 3.762 7.729 1.00 1.00 C ATOM 401 CE LYS A 27 9.678 4.371 7.600 1.00 1.00 C ATOM 402 NZ LYS A 27 10.704 3.294 7.696 1.00 1.00 N ATOM 0 H LYS A 27 4.485 5.007 5.086 1.00 1.00 H new ATOM 0 HA LYS A 27 5.732 6.933 7.008 1.00 1.00 H new ATOM 0 HB2 LYS A 27 6.956 4.536 5.560 1.00 1.00 H new ATOM 0 HB3 LYS A 27 7.956 5.918 5.963 1.00 1.00 H new ATOM 0 HG2 LYS A 27 7.446 5.692 8.327 1.00 1.00 H new ATOM 0 HG3 LYS A 27 6.225 4.477 8.003 1.00 1.00 H new ATOM 0 HD2 LYS A 27 8.184 3.223 8.672 1.00 1.00 H new ATOM 0 HD3 LYS A 27 8.105 3.037 6.932 1.00 1.00 H new ATOM 0 HE2 LYS A 27 9.773 4.893 6.648 1.00 1.00 H new ATOM 0 HE3 LYS A 27 9.838 5.110 8.385 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 11.653 3.710 7.608 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 10.619 2.815 8.615 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 10.556 2.605 6.931 1.00 1.00 H new ATOM 416 N CYS A 28 7.009 8.045 4.941 1.00 1.00 N ATOM 417 CA CYS A 28 7.260 8.976 3.820 1.00 1.00 C ATOM 418 C CYS A 28 8.655 8.683 3.256 1.00 1.00 C ATOM 419 O CYS A 28 9.499 8.127 3.933 1.00 1.00 O ATOM 420 CB CYS A 28 7.173 10.416 4.320 1.00 1.00 C ATOM 421 SG CYS A 28 7.405 11.711 3.075 1.00 1.00 S ATOM 0 H CYS A 28 7.689 8.100 5.699 1.00 1.00 H new ATOM 0 HA CYS A 28 6.514 8.842 3.037 1.00 1.00 H new ATOM 0 HB2 CYS A 28 6.198 10.559 4.785 1.00 1.00 H new ATOM 0 HB3 CYS A 28 7.921 10.553 5.101 1.00 1.00 H new ATOM 426 N MET A 29 8.843 9.073 2.024 1.00 1.00 N ATOM 427 CA MET A 29 10.122 8.877 1.303 1.00 1.00 C ATOM 428 C MET A 29 10.446 10.187 0.588 1.00 1.00 C ATOM 429 O MET A 29 10.318 10.285 -0.609 1.00 1.00 O ATOM 430 CB MET A 29 9.975 7.708 0.283 1.00 1.00 C ATOM 431 CG MET A 29 9.576 6.404 0.997 1.00 1.00 C ATOM 432 SD MET A 29 9.493 4.907 -0.011 1.00 1.00 S ATOM 433 CE MET A 29 7.800 5.076 -0.630 1.00 1.00 C ATOM 0 H MET A 29 8.125 9.540 1.469 1.00 1.00 H new ATOM 0 HA MET A 29 10.928 8.618 1.990 1.00 1.00 H new ATOM 0 HB2 MET A 29 9.223 7.964 -0.463 1.00 1.00 H new ATOM 0 HB3 MET A 29 10.915 7.563 -0.249 1.00 1.00 H new ATOM 0 HG2 MET A 29 10.287 6.229 1.805 1.00 1.00 H new ATOM 0 HG3 MET A 29 8.600 6.556 1.459 1.00 1.00 H new ATOM 0 HE1 MET A 29 7.760 4.760 -1.672 1.00 1.00 H new ATOM 0 HE2 MET A 29 7.131 4.453 -0.036 1.00 1.00 H new ATOM 0 HE3 MET A 29 7.487 6.118 -0.555 1.00 1.00 H new ATOM 443 N ASN A 30 10.851 11.141 1.396 1.00 1.00 N ATOM 444 CA ASN A 30 11.230 12.521 0.948 1.00 1.00 C ATOM 445 C ASN A 30 10.480 12.915 -0.324 1.00 1.00 C ATOM 446 O ASN A 30 11.050 13.273 -1.337 1.00 1.00 O ATOM 447 CB ASN A 30 12.766 12.532 0.739 1.00 1.00 C ATOM 448 CG ASN A 30 13.250 13.951 0.406 1.00 1.00 C ATOM 449 OD1 ASN A 30 13.107 14.872 1.186 1.00 1.00 O ATOM 450 ND2 ASN A 30 13.826 14.170 -0.735 1.00 1.00 N ATOM 0 H ASN A 30 10.938 11.008 2.404 1.00 1.00 H new ATOM 0 HA ASN A 30 10.952 13.259 1.700 1.00 1.00 H new ATOM 0 HB2 ASN A 30 13.265 12.173 1.639 1.00 1.00 H new ATOM 0 HB3 ASN A 30 13.035 11.850 -0.068 1.00 1.00 H new ATOM 0 HD21 ASN A 30 14.153 15.107 -0.969 1.00 1.00 H new ATOM 0 HD22 ASN A 30 13.952 13.405 -1.398 1.00 1.00 H new ATOM 457 N GLY A 31 9.182 12.814 -0.187 1.00 1.00 N ATOM 458 CA GLY A 31 8.258 13.146 -1.300 1.00 1.00 C ATOM 459 C GLY A 31 7.212 12.081 -1.597 1.00 1.00 C ATOM 460 O GLY A 31 6.097 12.438 -1.919 1.00 1.00 O ATOM 0 H GLY A 31 8.720 12.509 0.670 1.00 1.00 H new ATOM 0 HA2 GLY A 31 7.749 14.081 -1.065 1.00 1.00 H new ATOM 0 HA3 GLY A 31 8.845 13.321 -2.202 1.00 1.00 H new ATOM 464 N LYS A 32 7.548 10.819 -1.506 1.00 1.00 N ATOM 465 CA LYS A 32 6.555 9.774 -1.789 1.00 1.00 C ATOM 466 C LYS A 32 6.181 8.999 -0.530 1.00 1.00 C ATOM 467 O LYS A 32 6.997 8.628 0.274 1.00 1.00 O ATOM 468 CB LYS A 32 7.118 8.830 -2.742 1.00 1.00 C ATOM 469 CG LYS A 32 7.784 9.469 -3.931 1.00 1.00 C ATOM 470 CD LYS A 32 8.199 8.380 -4.938 1.00 1.00 C ATOM 471 CE LYS A 32 8.888 9.036 -6.146 1.00 1.00 C ATOM 472 NZ LYS A 32 9.168 8.009 -7.189 1.00 1.00 N ATOM 0 H LYS A 32 8.474 10.480 -1.246 1.00 1.00 H new ATOM 0 HA LYS A 32 5.663 10.260 -2.185 1.00 1.00 H new ATOM 0 HB2 LYS A 32 7.846 8.203 -2.227 1.00 1.00 H new ATOM 0 HB3 LYS A 32 6.324 8.172 -3.096 1.00 1.00 H new ATOM 0 HG2 LYS A 32 7.104 10.176 -4.405 1.00 1.00 H new ATOM 0 HG3 LYS A 32 8.659 10.034 -3.610 1.00 1.00 H new ATOM 0 HD2 LYS A 32 8.874 7.668 -4.463 1.00 1.00 H new ATOM 0 HD3 LYS A 32 7.323 7.819 -5.265 1.00 1.00 H new ATOM 0 HE2 LYS A 32 8.252 9.820 -6.557 1.00 1.00 H new ATOM 0 HE3 LYS A 32 9.817 9.511 -5.832 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 9.634 8.459 -8.003 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 9.791 7.275 -6.795 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 8.275 7.575 -7.498 1.00 1.00 H new ATOM 486 N CYS A 33 4.910 8.778 -0.454 1.00 1.00 N ATOM 487 CA CYS A 33 4.297 8.041 0.680 1.00 1.00 C ATOM 488 C CYS A 33 4.595 6.540 0.663 1.00 1.00 C ATOM 489 O CYS A 33 4.947 5.963 -0.338 1.00 1.00 O ATOM 490 CB CYS A 33 2.789 8.328 0.625 1.00 1.00 C ATOM 491 SG CYS A 33 1.610 7.612 1.799 1.00 1.00 S ATOM 0 H CYS A 33 4.241 9.089 -1.158 1.00 1.00 H new ATOM 0 HA CYS A 33 4.730 8.386 1.619 1.00 1.00 H new ATOM 0 HB2 CYS A 33 2.676 9.410 0.693 1.00 1.00 H new ATOM 0 HB3 CYS A 33 2.453 8.035 -0.370 1.00 1.00 H new ATOM 496 N ARG A 34 4.436 5.980 1.829 1.00 1.00 N ATOM 497 CA ARG A 34 4.643 4.543 2.112 1.00 1.00 C ATOM 498 C ARG A 34 3.461 4.126 2.974 1.00 1.00 C ATOM 499 O ARG A 34 2.965 4.911 3.755 1.00 1.00 O ATOM 500 CB ARG A 34 5.933 4.361 2.886 1.00 1.00 C ATOM 501 CG ARG A 34 6.144 2.878 3.330 1.00 1.00 C ATOM 502 CD ARG A 34 6.230 1.958 2.102 1.00 1.00 C ATOM 503 NE ARG A 34 6.273 0.541 2.566 1.00 1.00 N ATOM 504 CZ ARG A 34 7.226 -0.242 2.155 1.00 1.00 C ATOM 505 NH1 ARG A 34 7.118 -0.785 0.974 1.00 1.00 N ATOM 506 NH2 ARG A 34 8.247 -0.460 2.935 1.00 1.00 N ATOM 0 H ARG A 34 4.149 6.509 2.653 1.00 1.00 H new ATOM 0 HA ARG A 34 4.711 3.949 1.200 1.00 1.00 H new ATOM 0 HB2 ARG A 34 6.774 4.678 2.269 1.00 1.00 H new ATOM 0 HB3 ARG A 34 5.922 5.005 3.765 1.00 1.00 H new ATOM 0 HG2 ARG A 34 7.057 2.795 3.919 1.00 1.00 H new ATOM 0 HG3 ARG A 34 5.321 2.563 3.971 1.00 1.00 H new ATOM 0 HD2 ARG A 34 5.370 2.116 1.451 1.00 1.00 H new ATOM 0 HD3 ARG A 34 7.120 2.191 1.517 1.00 1.00 H new ATOM 0 HE ARG A 34 5.558 0.188 3.203 1.00 1.00 H new ATOM 0 HH11 ARG A 34 6.300 -0.591 0.397 1.00 1.00 H new ATOM 0 HH12 ARG A 34 7.852 -1.403 0.628 1.00 1.00 H new ATOM 0 HH21 ARG A 34 8.290 -0.019 3.854 1.00 1.00 H new ATOM 0 HH22 ARG A 34 9.003 -1.072 2.627 1.00 1.00 H new ATOM 520 N CYS A 35 3.047 2.905 2.822 1.00 1.00 N ATOM 521 CA CYS A 35 1.922 2.364 3.586 1.00 1.00 C ATOM 522 C CYS A 35 2.436 1.146 4.334 1.00 1.00 C ATOM 523 O CYS A 35 3.468 0.587 4.015 1.00 1.00 O ATOM 524 CB CYS A 35 0.818 1.960 2.634 1.00 1.00 C ATOM 525 SG CYS A 35 -0.096 3.225 1.727 1.00 1.00 S ATOM 0 H CYS A 35 3.467 2.242 2.170 1.00 1.00 H new ATOM 0 HA CYS A 35 1.524 3.102 4.282 1.00 1.00 H new ATOM 0 HB2 CYS A 35 1.255 1.285 1.898 1.00 1.00 H new ATOM 0 HB3 CYS A 35 0.092 1.382 3.206 1.00 1.00 H new ATOM 530 N TYR A 36 1.663 0.790 5.314 1.00 1.00 N ATOM 531 CA TYR A 36 1.975 -0.373 6.175 1.00 1.00 C ATOM 532 C TYR A 36 0.843 -1.380 5.926 1.00 1.00 C ATOM 533 O TYR A 36 -0.029 -1.104 5.135 1.00 1.00 O ATOM 534 CB TYR A 36 1.987 0.057 7.630 1.00 1.00 C ATOM 535 CG TYR A 36 3.176 0.959 8.064 1.00 1.00 C ATOM 536 CD1 TYR A 36 4.279 1.280 7.296 1.00 1.00 C ATOM 537 CD2 TYR A 36 3.093 1.438 9.353 1.00 1.00 C ATOM 538 CE1 TYR A 36 5.280 2.070 7.831 1.00 1.00 C ATOM 539 CE2 TYR A 36 4.080 2.220 9.880 1.00 1.00 C ATOM 540 CZ TYR A 36 5.183 2.542 9.129 1.00 1.00 C ATOM 541 OH TYR A 36 6.146 3.315 9.744 1.00 1.00 O ATOM 0 H TYR A 36 0.800 1.274 5.560 1.00 1.00 H new ATOM 0 HA TYR A 36 2.952 -0.802 5.951 1.00 1.00 H new ATOM 0 HB2 TYR A 36 1.059 0.588 7.839 1.00 1.00 H new ATOM 0 HB3 TYR A 36 1.989 -0.838 8.253 1.00 1.00 H new ATOM 0 HD1 TYR A 36 4.359 0.916 6.282 1.00 1.00 H new ATOM 0 HD2 TYR A 36 2.232 1.191 9.957 1.00 1.00 H new ATOM 0 HE1 TYR A 36 6.143 2.320 7.232 1.00 1.00 H new ATOM 0 HE2 TYR A 36 3.993 2.587 10.892 1.00 1.00 H new ATOM 0 HH TYR A 36 6.790 2.734 10.200 1.00 1.00 H new ATOM 551 N SER A 37 0.904 -2.496 6.610 1.00 1.00 N ATOM 552 CA SER A 37 -0.101 -3.606 6.502 1.00 1.00 C ATOM 553 C SER A 37 -1.087 -3.510 5.294 1.00 1.00 C ATOM 554 O SER A 37 -2.263 -3.246 5.492 1.00 1.00 O ATOM 555 CB SER A 37 -0.861 -3.633 7.861 1.00 1.00 C ATOM 556 OG SER A 37 -1.416 -2.330 7.993 1.00 1.00 O ATOM 557 OXT SER A 37 -0.580 -3.706 4.200 1.00 1.00 O ATOM 0 H SER A 37 1.651 -2.693 7.276 1.00 1.00 H new ATOM 0 HA SER A 37 0.432 -4.535 6.299 1.00 1.00 H new ATOM 0 HB2 SER A 37 -1.639 -4.396 7.864 1.00 1.00 H new ATOM 0 HB3 SER A 37 -0.187 -3.861 8.687 1.00 1.00 H new ATOM 0 HG SER A 37 -2.033 -2.161 7.251 1.00 1.00 H new