USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=13 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 Single : A 3 THR OG1 : rot -55:sc= -0.392 USER MOD Single : A 4 ASN : amide:sc= -0.388 X(o=-0.39,f=-0.39) USER MOD Single : A 6 SER OG : rot 32:sc= 0.381 USER MOD Single : A 8 SER OG : rot -44:sc= 0.68 USER MOD Single : A 10 SER OG : rot 180:sc= 0.417 USER MOD Single : A 11 SER OG : rot -73:sc= 1.42 USER MOD Single : A 12 GLN : amide:sc= -3.28! C(o=-3.3!,f=-2.2!) USER MOD Single : A 18 LYS NZ :NH3+ 178:sc= 1.37 (180deg=1.35) USER MOD Single : A 19 LYS NZ :NH3+ -116:sc= -1.13 (180deg=-2.17!) USER MOD Single : A 23 THR OG1 : rot 119:sc= 0.909 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -110:sc= -2.01 (180deg=-4.68!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -1.54 K(o=-1.5,f=-5.5!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -178:sc= 0.263 (180deg=0.262) USER MOD Single : A 36 TYR OH : rot 180:sc= -1.02 USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 2 3.882 -1.004 -1.138 1.00 1.00 N ATOM 16 CA PHE A 2 5.230 -1.576 -1.046 1.00 1.00 C ATOM 17 C PHE A 2 6.184 -0.585 -0.380 1.00 1.00 C ATOM 18 O PHE A 2 5.875 0.569 -0.204 1.00 1.00 O ATOM 19 CB PHE A 2 5.642 -1.895 -2.454 1.00 1.00 C ATOM 20 CG PHE A 2 5.635 -3.413 -2.635 1.00 1.00 C ATOM 21 CD1 PHE A 2 6.516 -4.202 -1.914 1.00 1.00 C ATOM 22 CD2 PHE A 2 4.758 -4.022 -3.513 1.00 1.00 C ATOM 23 CE1 PHE A 2 6.519 -5.573 -2.064 1.00 1.00 C ATOM 24 CE2 PHE A 2 4.761 -5.395 -3.665 1.00 1.00 C ATOM 25 CZ PHE A 2 5.642 -6.171 -2.941 1.00 1.00 C ATOM 0 HA PHE A 2 5.252 -2.476 -0.431 1.00 1.00 H new ATOM 0 HB2 PHE A 2 4.959 -1.427 -3.163 1.00 1.00 H new ATOM 0 HB3 PHE A 2 6.635 -1.495 -2.657 1.00 1.00 H new ATOM 0 HD1 PHE A 2 7.208 -3.738 -1.227 1.00 1.00 H new ATOM 0 HD2 PHE A 2 4.066 -3.421 -4.084 1.00 1.00 H new ATOM 0 HE1 PHE A 2 7.209 -6.177 -1.494 1.00 1.00 H new ATOM 0 HE2 PHE A 2 4.072 -5.862 -4.353 1.00 1.00 H new ATOM 0 HZ PHE A 2 5.644 -7.244 -3.062 1.00 1.00 H new ATOM 35 N THR A 3 7.327 -1.111 -0.038 1.00 1.00 N ATOM 36 CA THR A 3 8.405 -0.313 0.617 1.00 1.00 C ATOM 37 C THR A 3 9.702 -0.525 -0.145 1.00 1.00 C ATOM 38 O THR A 3 9.726 -1.204 -1.151 1.00 1.00 O ATOM 39 CB THR A 3 8.571 -0.785 2.076 1.00 1.00 C ATOM 40 OG1 THR A 3 8.973 -2.138 1.960 1.00 1.00 O ATOM 41 CG2 THR A 3 7.212 -0.819 2.819 1.00 1.00 C ATOM 0 H THR A 3 7.567 -2.091 -0.190 1.00 1.00 H new ATOM 0 HA THR A 3 8.147 0.746 0.611 1.00 1.00 H new ATOM 0 HB THR A 3 9.256 -0.129 2.612 1.00 1.00 H new ATOM 0 HG1 THR A 3 8.316 -2.630 1.424 1.00 1.00 H new ATOM 0 HG21 THR A 3 7.366 -1.156 3.844 1.00 1.00 H new ATOM 0 HG22 THR A 3 6.777 0.180 2.827 1.00 1.00 H new ATOM 0 HG23 THR A 3 6.536 -1.505 2.309 1.00 1.00 H new ATOM 49 N ASN A 4 10.740 0.073 0.359 1.00 1.00 N ATOM 50 CA ASN A 4 12.081 -0.041 -0.279 1.00 1.00 C ATOM 51 C ASN A 4 13.125 -0.504 0.733 1.00 1.00 C ATOM 52 O ASN A 4 14.283 -0.141 0.650 1.00 1.00 O ATOM 53 CB ASN A 4 12.412 1.323 -0.845 1.00 1.00 C ATOM 54 CG ASN A 4 13.642 1.261 -1.765 1.00 1.00 C ATOM 55 OD1 ASN A 4 13.642 0.591 -2.777 1.00 1.00 O ATOM 56 ND2 ASN A 4 14.706 1.944 -1.445 1.00 1.00 N ATOM 0 H ASN A 4 10.718 0.647 1.202 1.00 1.00 H new ATOM 0 HA ASN A 4 12.078 -0.787 -1.073 1.00 1.00 H new ATOM 0 HB2 ASN A 4 11.557 1.705 -1.402 1.00 1.00 H new ATOM 0 HB3 ASN A 4 12.599 2.022 -0.030 1.00 1.00 H new ATOM 0 HD21 ASN A 4 15.531 1.913 -2.044 1.00 1.00 H new ATOM 0 HD22 ASN A 4 14.713 2.509 -0.596 1.00 1.00 H new ATOM 63 N VAL A 5 12.686 -1.304 1.674 1.00 1.00 N ATOM 64 CA VAL A 5 13.600 -1.821 2.715 1.00 1.00 C ATOM 65 C VAL A 5 13.582 -3.345 2.712 1.00 1.00 C ATOM 66 O VAL A 5 12.588 -3.948 2.369 1.00 1.00 O ATOM 67 CB VAL A 5 13.137 -1.294 4.062 1.00 1.00 C ATOM 68 CG1 VAL A 5 13.361 0.224 4.148 1.00 1.00 C ATOM 69 CG2 VAL A 5 11.645 -1.613 4.328 1.00 1.00 C ATOM 0 H VAL A 5 11.720 -1.619 1.758 1.00 1.00 H new ATOM 0 HA VAL A 5 14.620 -1.490 2.518 1.00 1.00 H new ATOM 0 HB VAL A 5 13.731 -1.797 4.825 1.00 1.00 H new ATOM 0 HG11 VAL A 5 13.024 0.587 5.119 1.00 1.00 H new ATOM 0 HG12 VAL A 5 14.422 0.443 4.027 1.00 1.00 H new ATOM 0 HG13 VAL A 5 12.796 0.720 3.359 1.00 1.00 H new ATOM 0 HG21 VAL A 5 11.357 -1.218 5.302 1.00 1.00 H new ATOM 0 HG22 VAL A 5 11.031 -1.153 3.554 1.00 1.00 H new ATOM 0 HG23 VAL A 5 11.496 -2.693 4.316 1.00 1.00 H new ATOM 79 N SER A 6 14.692 -3.917 3.096 1.00 1.00 N ATOM 80 CA SER A 6 14.794 -5.408 3.141 1.00 1.00 C ATOM 81 C SER A 6 13.957 -5.945 4.319 1.00 1.00 C ATOM 82 O SER A 6 13.748 -5.227 5.277 1.00 1.00 O ATOM 83 CB SER A 6 16.270 -5.798 3.314 1.00 1.00 C ATOM 84 OG SER A 6 16.265 -7.219 3.273 1.00 1.00 O ATOM 0 H SER A 6 15.534 -3.417 3.381 1.00 1.00 H new ATOM 0 HA SER A 6 14.412 -5.840 2.216 1.00 1.00 H new ATOM 0 HB2 SER A 6 16.888 -5.379 2.520 1.00 1.00 H new ATOM 0 HB3 SER A 6 16.671 -5.429 4.258 1.00 1.00 H new ATOM 0 HG SER A 6 15.547 -7.527 2.682 1.00 1.00 H new ATOM 90 N CYS A 7 13.503 -7.169 4.221 1.00 1.00 N ATOM 91 CA CYS A 7 12.689 -7.764 5.335 1.00 1.00 C ATOM 92 C CYS A 7 13.244 -9.115 5.744 1.00 1.00 C ATOM 93 O CYS A 7 13.933 -9.774 4.990 1.00 1.00 O ATOM 94 CB CYS A 7 11.229 -7.984 4.924 1.00 1.00 C ATOM 95 SG CYS A 7 10.869 -8.962 3.449 1.00 1.00 S ATOM 0 H CYS A 7 13.658 -7.784 3.422 1.00 1.00 H new ATOM 0 HA CYS A 7 12.739 -7.053 6.159 1.00 1.00 H new ATOM 0 HB2 CYS A 7 10.719 -8.456 5.764 1.00 1.00 H new ATOM 0 HB3 CYS A 7 10.775 -7.003 4.786 1.00 1.00 H new ATOM 100 N SER A 8 12.903 -9.463 6.953 1.00 1.00 N ATOM 101 CA SER A 8 13.338 -10.756 7.540 1.00 1.00 C ATOM 102 C SER A 8 12.083 -11.408 8.148 1.00 1.00 C ATOM 103 O SER A 8 12.179 -12.070 9.162 1.00 1.00 O ATOM 104 CB SER A 8 14.432 -10.456 8.598 1.00 1.00 C ATOM 105 OG SER A 8 14.873 -11.727 9.059 1.00 1.00 O ATOM 0 H SER A 8 12.328 -8.891 7.571 1.00 1.00 H new ATOM 0 HA SER A 8 13.769 -11.441 6.810 1.00 1.00 H new ATOM 0 HB2 SER A 8 15.255 -9.889 8.162 1.00 1.00 H new ATOM 0 HB3 SER A 8 14.032 -9.858 9.417 1.00 1.00 H new ATOM 0 HG SER A 8 14.098 -12.307 9.212 1.00 1.00 H new ATOM 111 N ALA A 9 10.967 -11.176 7.479 1.00 1.00 N ATOM 112 CA ALA A 9 9.592 -11.698 7.844 1.00 1.00 C ATOM 113 C ALA A 9 8.500 -10.620 7.837 1.00 1.00 C ATOM 114 O ALA A 9 8.758 -9.435 7.931 1.00 1.00 O ATOM 115 CB ALA A 9 9.537 -12.335 9.266 1.00 1.00 C ATOM 0 H ALA A 9 10.955 -10.605 6.634 1.00 1.00 H new ATOM 0 HA ALA A 9 9.405 -12.441 7.068 1.00 1.00 H new ATOM 0 HB1 ALA A 9 8.526 -12.689 9.467 1.00 1.00 H new ATOM 0 HB2 ALA A 9 10.232 -13.173 9.316 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.814 -11.588 10.010 1.00 1.00 H new ATOM 121 N SER A 10 7.293 -11.117 7.719 1.00 1.00 N ATOM 122 CA SER A 10 6.061 -10.270 7.688 1.00 1.00 C ATOM 123 C SER A 10 5.726 -9.641 9.042 1.00 1.00 C ATOM 124 O SER A 10 5.250 -8.523 9.112 1.00 1.00 O ATOM 125 CB SER A 10 4.881 -11.146 7.220 1.00 1.00 C ATOM 126 OG SER A 10 5.239 -11.589 5.919 1.00 1.00 O ATOM 0 H SER A 10 7.106 -12.117 7.640 1.00 1.00 H new ATOM 0 HA SER A 10 6.244 -9.444 7.000 1.00 1.00 H new ATOM 0 HB2 SER A 10 4.725 -11.989 7.894 1.00 1.00 H new ATOM 0 HB3 SER A 10 3.952 -10.577 7.200 1.00 1.00 H new ATOM 0 HG SER A 10 4.527 -12.158 5.560 1.00 1.00 H new ATOM 132 N SER A 11 5.972 -10.391 10.086 1.00 1.00 N ATOM 133 CA SER A 11 5.702 -9.921 11.461 1.00 1.00 C ATOM 134 C SER A 11 6.383 -8.599 11.798 1.00 1.00 C ATOM 135 O SER A 11 5.756 -7.678 12.283 1.00 1.00 O ATOM 136 CB SER A 11 6.137 -10.998 12.348 1.00 1.00 C ATOM 137 OG SER A 11 5.242 -12.087 12.160 1.00 1.00 O ATOM 0 H SER A 11 6.359 -11.333 10.031 1.00 1.00 H new ATOM 0 HA SER A 11 4.640 -9.706 11.578 1.00 1.00 H new ATOM 0 HB2 SER A 11 7.160 -11.297 12.117 1.00 1.00 H new ATOM 0 HB3 SER A 11 6.128 -10.668 13.387 1.00 1.00 H new ATOM 0 HG SER A 11 4.381 -11.878 12.578 1.00 1.00 H new ATOM 143 N GLN A 12 7.658 -8.554 11.516 1.00 1.00 N ATOM 144 CA GLN A 12 8.450 -7.322 11.790 1.00 1.00 C ATOM 145 C GLN A 12 8.051 -6.194 10.826 1.00 1.00 C ATOM 146 O GLN A 12 8.518 -5.081 10.970 1.00 1.00 O ATOM 147 CB GLN A 12 9.947 -7.660 11.648 1.00 1.00 C ATOM 148 CG GLN A 12 10.235 -8.271 10.266 1.00 1.00 C ATOM 149 CD GLN A 12 11.734 -8.538 10.152 1.00 1.00 C ATOM 150 OE1 GLN A 12 12.279 -9.368 10.852 1.00 1.00 O ATOM 151 NE2 GLN A 12 12.435 -7.855 9.290 1.00 1.00 N ATOM 0 H GLN A 12 8.187 -9.323 11.105 1.00 1.00 H new ATOM 0 HA GLN A 12 8.248 -6.972 12.802 1.00 1.00 H new ATOM 0 HB2 GLN A 12 10.544 -6.758 11.784 1.00 1.00 H new ATOM 0 HB3 GLN A 12 10.243 -8.359 12.430 1.00 1.00 H new ATOM 0 HG2 GLN A 12 9.675 -9.198 10.138 1.00 1.00 H new ATOM 0 HG3 GLN A 12 9.911 -7.592 9.477 1.00 1.00 H new ATOM 0 HE21 GLN A 12 11.980 -7.158 8.701 1.00 1.00 H new ATOM 0 HE22 GLN A 12 13.438 -8.018 9.205 1.00 1.00 H new ATOM 160 N CYS A 13 7.205 -6.511 9.872 1.00 1.00 N ATOM 161 CA CYS A 13 6.745 -5.499 8.885 1.00 1.00 C ATOM 162 C CYS A 13 5.424 -4.862 9.286 1.00 1.00 C ATOM 163 O CYS A 13 5.087 -3.828 8.745 1.00 1.00 O ATOM 164 CB CYS A 13 6.629 -6.181 7.530 1.00 1.00 C ATOM 165 SG CYS A 13 8.118 -6.012 6.525 1.00 1.00 S ATOM 0 H CYS A 13 6.813 -7.443 9.740 1.00 1.00 H new ATOM 0 HA CYS A 13 7.471 -4.687 8.843 1.00 1.00 H new ATOM 0 HB2 CYS A 13 6.417 -7.240 7.679 1.00 1.00 H new ATOM 0 HB3 CYS A 13 5.782 -5.759 6.989 1.00 1.00 H new ATOM 170 N TRP A 14 4.698 -5.465 10.199 1.00 1.00 N ATOM 171 CA TRP A 14 3.415 -4.862 10.621 1.00 1.00 C ATOM 172 C TRP A 14 3.684 -3.416 11.128 1.00 1.00 C ATOM 173 O TRP A 14 3.082 -2.494 10.608 1.00 1.00 O ATOM 174 CB TRP A 14 2.807 -5.736 11.742 1.00 1.00 C ATOM 175 CG TRP A 14 2.416 -7.162 11.309 1.00 1.00 C ATOM 176 CD1 TRP A 14 1.828 -7.520 10.134 1.00 1.00 C ATOM 177 CD2 TRP A 14 2.587 -8.273 12.067 1.00 1.00 C ATOM 178 NE1 TRP A 14 1.682 -8.825 10.252 1.00 1.00 N ATOM 179 CE2 TRP A 14 2.103 -9.379 11.374 1.00 1.00 C ATOM 180 CE3 TRP A 14 3.129 -8.444 13.342 1.00 1.00 C ATOM 181 CZ2 TRP A 14 2.159 -10.648 11.946 1.00 1.00 C ATOM 182 CZ3 TRP A 14 3.186 -9.712 13.915 1.00 1.00 C ATOM 183 CH2 TRP A 14 2.701 -10.814 13.216 1.00 1.00 C ATOM 0 H TRP A 14 4.944 -6.341 10.661 1.00 1.00 H new ATOM 0 HA TRP A 14 2.712 -4.815 9.789 1.00 1.00 H new ATOM 0 HB2 TRP A 14 3.524 -5.804 12.560 1.00 1.00 H new ATOM 0 HB3 TRP A 14 1.922 -5.235 12.134 1.00 1.00 H new ATOM 0 HD1 TRP A 14 1.548 -6.887 9.305 1.00 1.00 H new ATOM 0 HE1 TRP A 14 1.262 -9.383 9.508 1.00 1.00 H new ATOM 0 HE3 TRP A 14 3.505 -7.590 13.886 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 1.782 -11.502 11.404 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 3.606 -9.840 14.901 1.00 1.00 H new ATOM 0 HH2 TRP A 14 2.746 -11.798 13.660 1.00 1.00 H new ATOM 194 N PRO A 15 4.559 -3.225 12.101 1.00 1.00 N ATOM 195 CA PRO A 15 4.900 -1.870 12.628 1.00 1.00 C ATOM 196 C PRO A 15 5.454 -0.953 11.533 1.00 1.00 C ATOM 197 O PRO A 15 5.158 0.214 11.505 1.00 1.00 O ATOM 198 CB PRO A 15 5.908 -2.138 13.753 1.00 1.00 C ATOM 199 CG PRO A 15 6.572 -3.454 13.297 1.00 1.00 C ATOM 200 CD PRO A 15 5.362 -4.265 12.822 1.00 1.00 C ATOM 0 HA PRO A 15 4.025 -1.335 12.998 1.00 1.00 H new ATOM 0 HB2 PRO A 15 6.633 -1.330 13.850 1.00 1.00 H new ATOM 0 HB3 PRO A 15 5.418 -2.244 14.721 1.00 1.00 H new ATOM 0 HG2 PRO A 15 7.295 -3.292 12.498 1.00 1.00 H new ATOM 0 HG3 PRO A 15 7.102 -3.948 14.111 1.00 1.00 H new ATOM 0 HD2 PRO A 15 5.652 -5.085 12.165 1.00 1.00 H new ATOM 0 HD3 PRO A 15 4.811 -4.703 13.654 1.00 1.00 H new ATOM 208 N VAL A 16 6.245 -1.520 10.659 1.00 1.00 N ATOM 209 CA VAL A 16 6.852 -0.729 9.538 1.00 1.00 C ATOM 210 C VAL A 16 5.720 -0.101 8.705 1.00 1.00 C ATOM 211 O VAL A 16 5.689 1.082 8.469 1.00 1.00 O ATOM 212 CB VAL A 16 7.729 -1.705 8.698 1.00 1.00 C ATOM 213 CG1 VAL A 16 8.326 -0.999 7.470 1.00 1.00 C ATOM 214 CG2 VAL A 16 8.890 -2.220 9.576 1.00 1.00 C ATOM 0 H VAL A 16 6.501 -2.507 10.671 1.00 1.00 H new ATOM 0 HA VAL A 16 7.481 0.084 9.901 1.00 1.00 H new ATOM 0 HB VAL A 16 7.098 -2.527 8.360 1.00 1.00 H new ATOM 0 HG11 VAL A 16 8.933 -1.705 6.904 1.00 1.00 H new ATOM 0 HG12 VAL A 16 7.521 -0.624 6.838 1.00 1.00 H new ATOM 0 HG13 VAL A 16 8.949 -0.166 7.796 1.00 1.00 H new ATOM 0 HG21 VAL A 16 9.509 -2.904 8.996 1.00 1.00 H new ATOM 0 HG22 VAL A 16 9.495 -1.377 9.910 1.00 1.00 H new ATOM 0 HG23 VAL A 16 8.486 -2.743 10.443 1.00 1.00 H new ATOM 224 N CYS A 17 4.820 -0.959 8.310 1.00 1.00 N ATOM 225 CA CYS A 17 3.631 -0.568 7.490 1.00 1.00 C ATOM 226 C CYS A 17 2.864 0.488 8.249 1.00 1.00 C ATOM 227 O CYS A 17 2.433 1.482 7.704 1.00 1.00 O ATOM 228 CB CYS A 17 2.799 -1.825 7.285 1.00 1.00 C ATOM 229 SG CYS A 17 1.229 -1.816 6.382 1.00 1.00 S ATOM 0 H CYS A 17 4.860 -1.954 8.530 1.00 1.00 H new ATOM 0 HA CYS A 17 3.907 -0.157 6.519 1.00 1.00 H new ATOM 0 HB2 CYS A 17 3.443 -2.547 6.783 1.00 1.00 H new ATOM 0 HB3 CYS A 17 2.586 -2.223 8.277 1.00 1.00 H new ATOM 234 N LYS A 18 2.731 0.205 9.514 1.00 1.00 N ATOM 235 CA LYS A 18 2.010 1.120 10.435 1.00 1.00 C ATOM 236 C LYS A 18 2.582 2.541 10.401 1.00 1.00 C ATOM 237 O LYS A 18 1.847 3.504 10.314 1.00 1.00 O ATOM 238 CB LYS A 18 2.112 0.535 11.841 1.00 1.00 C ATOM 239 CG LYS A 18 1.053 1.110 12.769 1.00 1.00 C ATOM 240 CD LYS A 18 1.390 0.676 14.202 1.00 1.00 C ATOM 241 CE LYS A 18 0.244 1.105 15.102 1.00 1.00 C ATOM 242 NZ LYS A 18 0.504 0.679 16.506 1.00 1.00 N ATOM 0 H LYS A 18 3.099 -0.638 9.954 1.00 1.00 H new ATOM 0 HA LYS A 18 0.969 1.201 10.121 1.00 1.00 H new ATOM 0 HB2 LYS A 18 2.004 -0.549 11.793 1.00 1.00 H new ATOM 0 HB3 LYS A 18 3.102 0.739 12.249 1.00 1.00 H new ATOM 0 HG2 LYS A 18 1.032 2.197 12.695 1.00 1.00 H new ATOM 0 HG3 LYS A 18 0.063 0.752 12.485 1.00 1.00 H new ATOM 0 HD2 LYS A 18 1.529 -0.404 14.251 1.00 1.00 H new ATOM 0 HD3 LYS A 18 2.324 1.133 14.529 1.00 1.00 H new ATOM 0 HE2 LYS A 18 0.124 2.188 15.059 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -0.689 0.667 14.748 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -0.270 1.008 17.118 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 0.563 -0.358 16.549 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 1.402 1.090 16.833 1.00 1.00 H new ATOM 256 N LYS A 19 3.883 2.620 10.474 1.00 1.00 N ATOM 257 CA LYS A 19 4.554 3.958 10.456 1.00 1.00 C ATOM 258 C LYS A 19 4.486 4.637 9.082 1.00 1.00 C ATOM 259 O LYS A 19 4.255 5.827 8.985 1.00 1.00 O ATOM 260 CB LYS A 19 6.037 3.790 10.869 1.00 1.00 C ATOM 261 CG LYS A 19 6.211 3.131 12.272 1.00 1.00 C ATOM 262 CD LYS A 19 5.954 4.073 13.491 1.00 1.00 C ATOM 263 CE LYS A 19 4.492 4.563 13.628 1.00 1.00 C ATOM 264 NZ LYS A 19 3.525 3.430 13.500 1.00 1.00 N ATOM 0 H LYS A 19 4.512 1.820 10.545 1.00 1.00 H new ATOM 0 HA LYS A 19 4.023 4.597 11.161 1.00 1.00 H new ATOM 0 HB2 LYS A 19 6.549 3.182 10.123 1.00 1.00 H new ATOM 0 HB3 LYS A 19 6.520 4.767 10.871 1.00 1.00 H new ATOM 0 HG2 LYS A 19 5.532 2.281 12.342 1.00 1.00 H new ATOM 0 HG3 LYS A 19 7.225 2.737 12.346 1.00 1.00 H new ATOM 0 HD2 LYS A 19 6.235 3.549 14.404 1.00 1.00 H new ATOM 0 HD3 LYS A 19 6.608 4.941 13.407 1.00 1.00 H new ATOM 0 HE2 LYS A 19 4.359 5.050 14.594 1.00 1.00 H new ATOM 0 HE3 LYS A 19 4.283 5.310 12.862 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 2.935 3.571 12.655 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 4.048 2.535 13.412 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 2.918 3.395 14.344 1.00 1.00 H new ATOM 278 N LEU A 20 4.689 3.847 8.063 1.00 1.00 N ATOM 279 CA LEU A 20 4.672 4.322 6.665 1.00 1.00 C ATOM 280 C LEU A 20 3.343 4.752 6.033 1.00 1.00 C ATOM 281 O LEU A 20 3.234 5.851 5.525 1.00 1.00 O ATOM 282 CB LEU A 20 5.282 3.205 5.849 1.00 1.00 C ATOM 283 CG LEU A 20 6.726 2.886 6.279 1.00 1.00 C ATOM 284 CD1 LEU A 20 7.139 1.602 5.545 1.00 1.00 C ATOM 285 CD2 LEU A 20 7.667 4.033 5.888 1.00 1.00 C ATOM 0 H LEU A 20 4.873 2.848 8.157 1.00 1.00 H new ATOM 0 HA LEU A 20 5.218 5.265 6.671 1.00 1.00 H new ATOM 0 HB2 LEU A 20 4.669 2.309 5.949 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.272 3.482 4.795 1.00 1.00 H new ATOM 0 HG LEU A 20 6.785 2.759 7.360 1.00 1.00 H new ATOM 0 HD11 LEU A 20 8.160 1.337 5.821 1.00 1.00 H new ATOM 0 HD12 LEU A 20 6.466 0.791 5.824 1.00 1.00 H new ATOM 0 HD13 LEU A 20 7.085 1.765 4.469 1.00 1.00 H new ATOM 0 HD21 LEU A 20 8.683 3.792 6.199 1.00 1.00 H new ATOM 0 HD22 LEU A 20 7.642 4.172 4.807 1.00 1.00 H new ATOM 0 HD23 LEU A 20 7.345 4.951 6.380 1.00 1.00 H new ATOM 297 N PHE A 21 2.376 3.876 6.085 1.00 1.00 N ATOM 298 CA PHE A 21 1.042 4.123 5.508 1.00 1.00 C ATOM 299 C PHE A 21 0.003 4.480 6.568 1.00 1.00 C ATOM 300 O PHE A 21 -0.791 5.376 6.380 1.00 1.00 O ATOM 301 CB PHE A 21 0.772 2.829 4.777 1.00 1.00 C ATOM 302 CG PHE A 21 1.915 2.593 3.760 1.00 1.00 C ATOM 303 CD1 PHE A 21 1.894 3.203 2.520 1.00 1.00 C ATOM 304 CD2 PHE A 21 2.988 1.792 4.095 1.00 1.00 C ATOM 305 CE1 PHE A 21 2.936 3.012 1.635 1.00 1.00 C ATOM 306 CE2 PHE A 21 4.026 1.602 3.216 1.00 1.00 C ATOM 307 CZ PHE A 21 4.000 2.211 1.984 1.00 1.00 C ATOM 0 H PHE A 21 2.471 2.961 6.526 1.00 1.00 H new ATOM 0 HA PHE A 21 0.992 4.989 4.848 1.00 1.00 H new ATOM 0 HB2 PHE A 21 0.715 2.000 5.482 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -0.188 2.877 4.264 1.00 1.00 H new ATOM 0 HD1 PHE A 21 1.060 3.831 2.243 1.00 1.00 H new ATOM 0 HD2 PHE A 21 3.012 1.309 5.060 1.00 1.00 H new ATOM 0 HE1 PHE A 21 2.917 3.492 0.668 1.00 1.00 H new ATOM 0 HE2 PHE A 21 4.861 0.975 3.492 1.00 1.00 H new ATOM 0 HZ PHE A 21 4.814 2.061 1.290 1.00 1.00 H new ATOM 317 N GLY A 22 0.060 3.750 7.651 1.00 1.00 N ATOM 318 CA GLY A 22 -0.876 3.951 8.792 1.00 1.00 C ATOM 319 C GLY A 22 -1.720 2.683 8.926 1.00 1.00 C ATOM 320 O GLY A 22 -2.788 2.702 9.508 1.00 1.00 O ATOM 0 H GLY A 22 0.738 3.001 7.794 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -0.323 4.142 9.712 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -1.513 4.818 8.617 1.00 1.00 H new ATOM 324 N THR A 23 -1.195 1.620 8.373 1.00 1.00 N ATOM 325 CA THR A 23 -1.838 0.292 8.386 1.00 1.00 C ATOM 326 C THR A 23 -0.877 -0.591 9.173 1.00 1.00 C ATOM 327 O THR A 23 0.283 -0.654 8.850 1.00 1.00 O ATOM 328 CB THR A 23 -1.988 -0.110 6.928 1.00 1.00 C ATOM 329 OG1 THR A 23 -0.809 0.308 6.262 1.00 1.00 O ATOM 330 CG2 THR A 23 -3.153 0.610 6.228 1.00 1.00 C ATOM 0 H THR A 23 -0.297 1.632 7.889 1.00 1.00 H new ATOM 0 HA THR A 23 -2.824 0.235 8.846 1.00 1.00 H new ATOM 0 HB THR A 23 -2.169 -1.184 6.892 1.00 1.00 H new ATOM 0 HG1 THR A 23 -0.355 -0.472 5.880 1.00 1.00 H new ATOM 0 HG21 THR A 23 -3.211 0.283 5.190 1.00 1.00 H new ATOM 0 HG22 THR A 23 -4.087 0.371 6.737 1.00 1.00 H new ATOM 0 HG23 THR A 23 -2.987 1.687 6.261 1.00 1.00 H new ATOM 338 N TYR A 24 -1.385 -1.269 10.170 1.00 1.00 N ATOM 339 CA TYR A 24 -0.507 -2.154 11.002 1.00 1.00 C ATOM 340 C TYR A 24 -0.457 -3.581 10.425 1.00 1.00 C ATOM 341 O TYR A 24 -0.162 -4.539 11.111 1.00 1.00 O ATOM 342 CB TYR A 24 -1.106 -2.105 12.431 1.00 1.00 C ATOM 343 CG TYR A 24 -0.101 -2.395 13.562 1.00 1.00 C ATOM 344 CD1 TYR A 24 1.174 -2.857 13.338 1.00 1.00 C ATOM 345 CD2 TYR A 24 -0.501 -2.169 14.866 1.00 1.00 C ATOM 346 CE1 TYR A 24 2.033 -3.083 14.390 1.00 1.00 C ATOM 347 CE2 TYR A 24 0.350 -2.394 15.919 1.00 1.00 C ATOM 348 CZ TYR A 24 1.628 -2.853 15.685 1.00 1.00 C ATOM 349 OH TYR A 24 2.491 -3.080 16.737 1.00 1.00 O ATOM 0 H TYR A 24 -2.367 -1.250 10.446 1.00 1.00 H new ATOM 0 HA TYR A 24 0.530 -1.818 11.011 1.00 1.00 H new ATOM 0 HB2 TYR A 24 -1.541 -1.119 12.594 1.00 1.00 H new ATOM 0 HB3 TYR A 24 -1.920 -2.827 12.494 1.00 1.00 H new ATOM 0 HD1 TYR A 24 1.505 -3.045 12.327 1.00 1.00 H new ATOM 0 HD2 TYR A 24 -1.501 -1.809 15.059 1.00 1.00 H new ATOM 0 HE1 TYR A 24 3.033 -3.444 14.197 1.00 1.00 H new ATOM 0 HE2 TYR A 24 0.018 -2.211 16.930 1.00 1.00 H new ATOM 0 HH TYR A 24 2.042 -2.865 17.581 1.00 1.00 H new ATOM 359 N ARG A 25 -0.756 -3.651 9.154 1.00 1.00 N ATOM 360 CA ARG A 25 -0.784 -4.876 8.359 1.00 1.00 C ATOM 361 C ARG A 25 0.215 -4.869 7.178 1.00 1.00 C ATOM 362 O ARG A 25 -0.140 -4.587 6.053 1.00 1.00 O ATOM 363 CB ARG A 25 -2.231 -4.949 7.956 1.00 1.00 C ATOM 364 CG ARG A 25 -2.749 -3.646 7.283 1.00 1.00 C ATOM 365 CD ARG A 25 -4.206 -3.824 6.843 1.00 1.00 C ATOM 366 NE ARG A 25 -4.669 -2.520 6.277 1.00 1.00 N ATOM 367 CZ ARG A 25 -5.646 -1.876 6.854 1.00 1.00 C ATOM 368 NH1 ARG A 25 -5.430 -1.307 8.011 1.00 1.00 N ATOM 369 NH2 ARG A 25 -6.804 -1.819 6.256 1.00 1.00 N ATOM 0 H ARG A 25 -1.000 -2.824 8.609 1.00 1.00 H new ATOM 0 HA ARG A 25 -0.453 -5.761 8.902 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -2.368 -5.784 7.269 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -2.836 -5.160 8.838 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -2.671 -2.812 7.980 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -2.128 -3.401 6.421 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -4.287 -4.615 6.098 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -4.828 -4.117 7.688 1.00 1.00 H new ATOM 0 HE ARG A 25 -4.223 -2.136 5.444 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -4.510 -1.371 8.447 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -6.181 -0.799 8.478 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -6.934 -2.274 5.352 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -7.579 -1.320 6.692 1.00 1.00 H new ATOM 383 N GLY A 26 1.460 -5.170 7.459 1.00 1.00 N ATOM 384 CA GLY A 26 2.519 -5.208 6.424 1.00 1.00 C ATOM 385 C GLY A 26 3.110 -6.611 6.426 1.00 1.00 C ATOM 386 O GLY A 26 3.053 -7.324 7.409 1.00 1.00 O ATOM 0 H GLY A 26 1.787 -5.397 8.398 1.00 1.00 H new ATOM 0 HA2 GLY A 26 2.106 -4.967 5.444 1.00 1.00 H new ATOM 0 HA3 GLY A 26 3.290 -4.467 6.636 1.00 1.00 H new ATOM 390 N LYS A 27 3.664 -6.951 5.299 1.00 1.00 N ATOM 391 CA LYS A 27 4.289 -8.302 5.133 1.00 1.00 C ATOM 392 C LYS A 27 5.673 -8.251 4.472 1.00 1.00 C ATOM 393 O LYS A 27 6.205 -7.190 4.225 1.00 1.00 O ATOM 394 CB LYS A 27 3.336 -9.201 4.301 1.00 1.00 C ATOM 395 CG LYS A 27 3.307 -8.780 2.818 1.00 1.00 C ATOM 396 CD LYS A 27 2.454 -9.752 1.958 1.00 1.00 C ATOM 397 CE LYS A 27 2.783 -11.240 2.227 1.00 1.00 C ATOM 398 NZ LYS A 27 4.252 -11.492 2.154 1.00 1.00 N ATOM 0 H LYS A 27 3.714 -6.351 4.476 1.00 1.00 H new ATOM 0 HA LYS A 27 4.440 -8.717 6.130 1.00 1.00 H new ATOM 0 HB2 LYS A 27 3.656 -10.240 4.378 1.00 1.00 H new ATOM 0 HB3 LYS A 27 2.329 -9.146 4.715 1.00 1.00 H new ATOM 0 HG2 LYS A 27 2.903 -7.771 2.735 1.00 1.00 H new ATOM 0 HG3 LYS A 27 4.325 -8.749 2.429 1.00 1.00 H new ATOM 0 HD2 LYS A 27 1.397 -9.576 2.160 1.00 1.00 H new ATOM 0 HD3 LYS A 27 2.617 -9.534 0.903 1.00 1.00 H new ATOM 0 HE2 LYS A 27 2.411 -11.525 3.211 1.00 1.00 H new ATOM 0 HE3 LYS A 27 2.268 -11.866 1.499 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 4.466 -12.054 1.306 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 4.758 -10.585 2.105 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 4.557 -12.013 3.001 1.00 1.00 H new ATOM 412 N CYS A 28 6.209 -9.418 4.214 1.00 1.00 N ATOM 413 CA CYS A 28 7.546 -9.569 3.573 1.00 1.00 C ATOM 414 C CYS A 28 7.448 -10.349 2.255 1.00 1.00 C ATOM 415 O CYS A 28 6.998 -11.479 2.239 1.00 1.00 O ATOM 416 CB CYS A 28 8.409 -10.276 4.587 1.00 1.00 C ATOM 417 SG CYS A 28 10.119 -10.694 4.166 1.00 1.00 S ATOM 0 H CYS A 28 5.754 -10.304 4.431 1.00 1.00 H new ATOM 0 HA CYS A 28 7.974 -8.603 3.304 1.00 1.00 H new ATOM 0 HB2 CYS A 28 8.436 -9.655 5.483 1.00 1.00 H new ATOM 0 HB3 CYS A 28 7.903 -11.203 4.857 1.00 1.00 H new ATOM 422 N MET A 29 7.873 -9.717 1.190 1.00 1.00 N ATOM 423 CA MET A 29 7.844 -10.344 -0.162 1.00 1.00 C ATOM 424 C MET A 29 9.175 -10.044 -0.830 1.00 1.00 C ATOM 425 O MET A 29 9.664 -8.945 -0.715 1.00 1.00 O ATOM 426 CB MET A 29 6.715 -9.751 -1.030 1.00 1.00 C ATOM 427 CG MET A 29 5.359 -10.136 -0.452 1.00 1.00 C ATOM 428 SD MET A 29 3.890 -9.691 -1.411 1.00 1.00 S ATOM 429 CE MET A 29 3.784 -11.181 -2.434 1.00 1.00 C ATOM 0 H MET A 29 8.248 -8.769 1.205 1.00 1.00 H new ATOM 0 HA MET A 29 7.669 -11.415 -0.060 1.00 1.00 H new ATOM 0 HB2 MET A 29 6.808 -8.666 -1.071 1.00 1.00 H new ATOM 0 HB3 MET A 29 6.801 -10.117 -2.053 1.00 1.00 H new ATOM 0 HG2 MET A 29 5.350 -11.216 -0.303 1.00 1.00 H new ATOM 0 HG3 MET A 29 5.270 -9.678 0.533 1.00 1.00 H new ATOM 0 HE1 MET A 29 2.929 -11.102 -3.105 1.00 1.00 H new ATOM 0 HE2 MET A 29 4.697 -11.285 -3.020 1.00 1.00 H new ATOM 0 HE3 MET A 29 3.663 -12.054 -1.793 1.00 1.00 H new ATOM 439 N ASN A 30 9.684 -11.031 -1.511 1.00 1.00 N ATOM 440 CA ASN A 30 10.987 -10.976 -2.251 1.00 1.00 C ATOM 441 C ASN A 30 12.021 -10.135 -1.481 1.00 1.00 C ATOM 442 O ASN A 30 12.540 -9.127 -1.922 1.00 1.00 O ATOM 443 CB ASN A 30 10.691 -10.412 -3.684 1.00 1.00 C ATOM 444 CG ASN A 30 10.144 -8.977 -3.676 1.00 1.00 C ATOM 445 OD1 ASN A 30 10.887 -8.019 -3.757 1.00 1.00 O ATOM 446 ND2 ASN A 30 8.858 -8.787 -3.582 1.00 1.00 N ATOM 0 H ASN A 30 9.219 -11.936 -1.591 1.00 1.00 H new ATOM 0 HA ASN A 30 11.428 -11.969 -2.342 1.00 1.00 H new ATOM 0 HB2 ASN A 30 11.608 -10.440 -4.273 1.00 1.00 H new ATOM 0 HB3 ASN A 30 9.972 -11.064 -4.181 1.00 1.00 H new ATOM 0 HD21 ASN A 30 8.482 -7.839 -3.577 1.00 1.00 H new ATOM 0 HD22 ASN A 30 8.228 -9.586 -3.514 1.00 1.00 H new ATOM 453 N SER A 31 12.255 -10.661 -0.305 1.00 1.00 N ATOM 454 CA SER A 31 13.206 -10.097 0.692 1.00 1.00 C ATOM 455 C SER A 31 13.027 -8.600 0.993 1.00 1.00 C ATOM 456 O SER A 31 13.965 -7.966 1.445 1.00 1.00 O ATOM 457 CB SER A 31 14.646 -10.364 0.187 1.00 1.00 C ATOM 458 OG SER A 31 14.715 -11.777 0.066 1.00 1.00 O ATOM 0 H SER A 31 11.793 -11.511 0.018 1.00 1.00 H new ATOM 0 HA SER A 31 13.000 -10.597 1.638 1.00 1.00 H new ATOM 0 HB2 SER A 31 14.831 -9.873 -0.768 1.00 1.00 H new ATOM 0 HB3 SER A 31 15.391 -9.987 0.888 1.00 1.00 H new ATOM 0 HG SER A 31 15.605 -12.035 -0.254 1.00 1.00 H new ATOM 464 N LYS A 32 11.849 -8.070 0.751 1.00 1.00 N ATOM 465 CA LYS A 32 11.627 -6.608 1.037 1.00 1.00 C ATOM 466 C LYS A 32 10.289 -6.451 1.756 1.00 1.00 C ATOM 467 O LYS A 32 9.410 -7.267 1.567 1.00 1.00 O ATOM 468 CB LYS A 32 11.624 -5.777 -0.273 1.00 1.00 C ATOM 469 CG LYS A 32 10.512 -6.215 -1.244 1.00 1.00 C ATOM 470 CD LYS A 32 10.459 -5.317 -2.501 1.00 1.00 C ATOM 471 CE LYS A 32 10.157 -3.863 -2.117 1.00 1.00 C ATOM 472 NZ LYS A 32 9.902 -3.052 -3.341 1.00 1.00 N ATOM 0 H LYS A 32 11.044 -8.572 0.375 1.00 1.00 H new ATOM 0 HA LYS A 32 12.439 -6.239 1.663 1.00 1.00 H new ATOM 0 HB2 LYS A 32 11.496 -4.722 -0.030 1.00 1.00 H new ATOM 0 HB3 LYS A 32 12.592 -5.876 -0.765 1.00 1.00 H new ATOM 0 HG2 LYS A 32 10.678 -7.250 -1.544 1.00 1.00 H new ATOM 0 HG3 LYS A 32 9.550 -6.182 -0.733 1.00 1.00 H new ATOM 0 HD2 LYS A 32 11.410 -5.368 -3.031 1.00 1.00 H new ATOM 0 HD3 LYS A 32 9.693 -5.684 -3.184 1.00 1.00 H new ATOM 0 HE2 LYS A 32 9.289 -3.825 -1.459 1.00 1.00 H new ATOM 0 HE3 LYS A 32 10.996 -3.444 -1.562 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 9.732 -2.062 -3.072 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 10.729 -3.103 -3.970 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 9.067 -3.424 -3.836 1.00 1.00 H new ATOM 486 N CYS A 33 10.150 -5.421 2.552 1.00 1.00 N ATOM 487 CA CYS A 33 8.857 -5.252 3.271 1.00 1.00 C ATOM 488 C CYS A 33 7.719 -4.826 2.343 1.00 1.00 C ATOM 489 O CYS A 33 7.946 -4.422 1.218 1.00 1.00 O ATOM 490 CB CYS A 33 9.077 -4.227 4.383 1.00 1.00 C ATOM 491 SG CYS A 33 7.839 -4.192 5.696 1.00 1.00 S ATOM 0 H CYS A 33 10.857 -4.708 2.731 1.00 1.00 H new ATOM 0 HA CYS A 33 8.549 -6.211 3.687 1.00 1.00 H new ATOM 0 HB2 CYS A 33 10.050 -4.417 4.836 1.00 1.00 H new ATOM 0 HB3 CYS A 33 9.124 -3.236 3.931 1.00 1.00 H new ATOM 496 N ARG A 34 6.518 -4.945 2.847 1.00 1.00 N ATOM 497 CA ARG A 34 5.317 -4.569 2.076 1.00 1.00 C ATOM 498 C ARG A 34 4.259 -4.082 3.071 1.00 1.00 C ATOM 499 O ARG A 34 4.306 -4.415 4.240 1.00 1.00 O ATOM 500 CB ARG A 34 4.861 -5.802 1.338 1.00 1.00 C ATOM 501 CG ARG A 34 3.803 -5.441 0.332 1.00 1.00 C ATOM 502 CD ARG A 34 3.366 -6.705 -0.372 1.00 1.00 C ATOM 503 NE ARG A 34 2.448 -6.275 -1.449 1.00 1.00 N ATOM 504 CZ ARG A 34 1.207 -6.682 -1.463 1.00 1.00 C ATOM 505 NH1 ARG A 34 0.337 -6.062 -0.716 1.00 1.00 N ATOM 506 NH2 ARG A 34 0.884 -7.694 -2.218 1.00 1.00 N ATOM 0 H ARG A 34 6.325 -5.297 3.785 1.00 1.00 H new ATOM 0 HA ARG A 34 5.506 -3.773 1.356 1.00 1.00 H new ATOM 0 HB2 ARG A 34 5.708 -6.268 0.835 1.00 1.00 H new ATOM 0 HB3 ARG A 34 4.468 -6.533 2.044 1.00 1.00 H new ATOM 0 HG2 ARG A 34 2.954 -4.969 0.827 1.00 1.00 H new ATOM 0 HG3 ARG A 34 4.193 -4.721 -0.388 1.00 1.00 H new ATOM 0 HD2 ARG A 34 4.223 -7.240 -0.780 1.00 1.00 H new ATOM 0 HD3 ARG A 34 2.866 -7.384 0.319 1.00 1.00 H new ATOM 0 HE ARG A 34 2.786 -5.656 -2.186 1.00 1.00 H new ATOM 0 HH11 ARG A 34 0.631 -5.276 -0.136 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -0.638 -6.363 -0.711 1.00 1.00 H new ATOM 0 HH21 ARG A 34 1.596 -8.155 -2.785 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -0.080 -8.025 -2.241 1.00 1.00 H new ATOM 520 N CYS A 35 3.345 -3.303 2.564 1.00 1.00 N ATOM 521 CA CYS A 35 2.237 -2.748 3.397 1.00 1.00 C ATOM 522 C CYS A 35 0.925 -2.910 2.626 1.00 1.00 C ATOM 523 O CYS A 35 0.937 -3.217 1.450 1.00 1.00 O ATOM 524 CB CYS A 35 2.486 -1.265 3.670 1.00 1.00 C ATOM 525 SG CYS A 35 1.387 -0.486 4.872 1.00 1.00 S ATOM 0 H CYS A 35 3.318 -3.020 1.584 1.00 1.00 H new ATOM 0 HA CYS A 35 2.186 -3.279 4.348 1.00 1.00 H new ATOM 0 HB2 CYS A 35 3.513 -1.147 4.016 1.00 1.00 H new ATOM 0 HB3 CYS A 35 2.403 -0.724 2.728 1.00 1.00 H new ATOM 530 N TYR A 36 -0.168 -2.703 3.298 1.00 1.00 N ATOM 531 CA TYR A 36 -1.492 -2.826 2.640 1.00 1.00 C ATOM 532 C TYR A 36 -2.172 -1.451 2.744 1.00 1.00 C ATOM 533 O TYR A 36 -1.642 -0.544 3.359 1.00 1.00 O ATOM 534 CB TYR A 36 -2.321 -3.881 3.366 1.00 1.00 C ATOM 535 CG TYR A 36 -1.634 -5.267 3.459 1.00 1.00 C ATOM 536 CD1 TYR A 36 -0.746 -5.749 2.512 1.00 1.00 C ATOM 537 CD2 TYR A 36 -1.935 -6.062 4.543 1.00 1.00 C ATOM 538 CE1 TYR A 36 -0.178 -7.000 2.659 1.00 1.00 C ATOM 539 CE2 TYR A 36 -1.370 -7.307 4.692 1.00 1.00 C ATOM 540 CZ TYR A 36 -0.489 -7.785 3.751 1.00 1.00 C ATOM 541 OH TYR A 36 0.060 -9.037 3.912 1.00 1.00 O ATOM 0 H TYR A 36 -0.200 -2.451 4.286 1.00 1.00 H new ATOM 0 HA TYR A 36 -1.393 -3.128 1.597 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -2.540 -3.527 4.373 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -3.276 -3.994 2.853 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -0.496 -5.143 1.653 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -2.627 -5.701 5.289 1.00 1.00 H new ATOM 0 HE1 TYR A 36 0.514 -7.366 1.915 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -1.619 -7.912 5.552 1.00 1.00 H new ATOM 0 HH TYR A 36 -0.277 -9.438 4.741 1.00 1.00 H new