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 Set 1.1: A 6 SER OG : rot 35:sc= 0.588 USER MOD Set 1.2: A 31 SER OG : rot -44:sc= 0.769 USER MOD Single : A 3 THR OG1 : rot -63:sc= 0.482 USER MOD Single : A 4 ASN : amide:sc= -0.435 X(o=-0.43,f=-0.43) USER MOD Single : A 8 SER OG : rot -45:sc= 0.791 USER MOD Single : A 10 SER OG : rot 130:sc= 0.0927 USER MOD Single : A 11 SER OG : rot 180:sc= -0.062 USER MOD Single : A 12 GLN : amide:sc= -3.78! C(o=-3.8!,f=-3.6!) USER MOD Single : A 18 LYS NZ :NH3+ 166:sc= -0.0352 (180deg=-0.295) USER MOD Single : A 19 LYS NZ :NH3+ -161:sc= -0.0821 (180deg=-0.574) USER MOD Single : A 23 THR OG1 : rot 150:sc= -1.78! USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -168:sc=-0.00594 (180deg=-0.203) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.165 K(o=-0.17,f=-2.7) USER MOD Single : A 32 LYS NZ :NH3+ -124:sc= -0.118 (180deg=-1.14) USER MOD Single : A 36 TYR OH : rot -15:sc= -0.805 USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 2 4.029 -1.328 -1.465 1.00 1.00 N ATOM 16 CA PHE A 2 5.380 -1.891 -1.309 1.00 1.00 C ATOM 17 C PHE A 2 6.310 -0.854 -0.674 1.00 1.00 C ATOM 18 O PHE A 2 5.973 0.300 -0.554 1.00 1.00 O ATOM 19 CB PHE A 2 5.846 -2.269 -2.685 1.00 1.00 C ATOM 20 CG PHE A 2 5.816 -3.793 -2.826 1.00 1.00 C ATOM 21 CD1 PHE A 2 4.611 -4.443 -3.034 1.00 1.00 C ATOM 22 CD2 PHE A 2 6.978 -4.537 -2.742 1.00 1.00 C ATOM 23 CE1 PHE A 2 4.574 -5.814 -3.153 1.00 1.00 C ATOM 24 CE2 PHE A 2 6.940 -5.911 -2.860 1.00 1.00 C ATOM 25 CZ PHE A 2 5.736 -6.551 -3.067 1.00 1.00 C ATOM 0 HA PHE A 2 5.380 -2.762 -0.654 1.00 1.00 H new ATOM 0 HB2 PHE A 2 5.205 -1.810 -3.438 1.00 1.00 H new ATOM 0 HB3 PHE A 2 6.856 -1.896 -2.855 1.00 1.00 H new ATOM 0 HD1 PHE A 2 3.697 -3.872 -3.103 1.00 1.00 H new ATOM 0 HD2 PHE A 2 7.923 -4.039 -2.583 1.00 1.00 H new ATOM 0 HE1 PHE A 2 3.631 -6.314 -3.314 1.00 1.00 H new ATOM 0 HE2 PHE A 2 7.852 -6.485 -2.790 1.00 1.00 H new ATOM 0 HZ PHE A 2 5.704 -7.626 -3.161 1.00 1.00 H new ATOM 35 N THR A 3 7.463 -1.337 -0.290 1.00 1.00 N ATOM 36 CA THR A 3 8.502 -0.465 0.337 1.00 1.00 C ATOM 37 C THR A 3 9.845 -0.752 -0.331 1.00 1.00 C ATOM 38 O THR A 3 9.933 -1.608 -1.191 1.00 1.00 O ATOM 39 CB THR A 3 8.590 -0.776 1.850 1.00 1.00 C ATOM 40 OG1 THR A 3 9.093 -2.104 1.924 1.00 1.00 O ATOM 41 CG2 THR A 3 7.185 -0.827 2.495 1.00 1.00 C ATOM 0 H THR A 3 7.733 -2.316 -0.386 1.00 1.00 H new ATOM 0 HA THR A 3 8.242 0.585 0.206 1.00 1.00 H new ATOM 0 HB THR A 3 9.194 -0.020 2.352 1.00 1.00 H new ATOM 0 HG1 THR A 3 8.457 -2.719 1.503 1.00 1.00 H new ATOM 0 HG21 THR A 3 7.281 -1.047 3.558 1.00 1.00 H new ATOM 0 HG22 THR A 3 6.691 0.136 2.367 1.00 1.00 H new ATOM 0 HG23 THR A 3 6.592 -1.606 2.015 1.00 1.00 H new ATOM 49 N ASN A 4 10.845 -0.023 0.078 1.00 1.00 N ATOM 50 CA ASN A 4 12.210 -0.207 -0.500 1.00 1.00 C ATOM 51 C ASN A 4 13.217 -0.563 0.595 1.00 1.00 C ATOM 52 O ASN A 4 14.395 -0.283 0.482 1.00 1.00 O ATOM 53 CB ASN A 4 12.581 1.094 -1.198 1.00 1.00 C ATOM 54 CG ASN A 4 13.862 0.926 -2.027 1.00 1.00 C ATOM 55 OD1 ASN A 4 13.926 0.131 -2.946 1.00 1.00 O ATOM 56 ND2 ASN A 4 14.905 1.654 -1.735 1.00 1.00 N ATOM 0 H ASN A 4 10.777 0.700 0.795 1.00 1.00 H new ATOM 0 HA ASN A 4 12.223 -1.031 -1.213 1.00 1.00 H new ATOM 0 HB2 ASN A 4 11.763 1.410 -1.846 1.00 1.00 H new ATOM 0 HB3 ASN A 4 12.723 1.881 -0.457 1.00 1.00 H new ATOM 0 HD21 ASN A 4 15.764 1.554 -2.275 1.00 1.00 H new ATOM 0 HD22 ASN A 4 14.861 2.323 -0.966 1.00 1.00 H new ATOM 63 N VAL A 5 12.715 -1.183 1.635 1.00 1.00 N ATOM 64 CA VAL A 5 13.570 -1.588 2.772 1.00 1.00 C ATOM 65 C VAL A 5 13.477 -3.100 2.897 1.00 1.00 C ATOM 66 O VAL A 5 12.462 -3.680 2.569 1.00 1.00 O ATOM 67 CB VAL A 5 13.063 -0.918 4.037 1.00 1.00 C ATOM 68 CG1 VAL A 5 13.292 0.599 3.965 1.00 1.00 C ATOM 69 CG2 VAL A 5 11.562 -1.203 4.289 1.00 1.00 C ATOM 0 H VAL A 5 11.730 -1.426 1.737 1.00 1.00 H new ATOM 0 HA VAL A 5 14.607 -1.290 2.616 1.00 1.00 H new ATOM 0 HB VAL A 5 13.627 -1.339 4.869 1.00 1.00 H new ATOM 0 HG11 VAL A 5 12.924 1.066 4.878 1.00 1.00 H new ATOM 0 HG12 VAL A 5 14.358 0.801 3.858 1.00 1.00 H new ATOM 0 HG13 VAL A 5 12.757 1.007 3.107 1.00 1.00 H new ATOM 0 HG21 VAL A 5 11.245 -0.703 5.204 1.00 1.00 H new ATOM 0 HG22 VAL A 5 10.975 -0.830 3.450 1.00 1.00 H new ATOM 0 HG23 VAL A 5 11.408 -2.277 4.390 1.00 1.00 H new ATOM 79 N SER A 6 14.542 -3.683 3.374 1.00 1.00 N ATOM 80 CA SER A 6 14.574 -5.165 3.543 1.00 1.00 C ATOM 81 C SER A 6 13.674 -5.632 4.697 1.00 1.00 C ATOM 82 O SER A 6 13.409 -4.863 5.602 1.00 1.00 O ATOM 83 CB SER A 6 16.032 -5.594 3.801 1.00 1.00 C ATOM 84 OG SER A 6 15.984 -7.014 3.852 1.00 1.00 O ATOM 0 H SER A 6 15.394 -3.197 3.655 1.00 1.00 H new ATOM 0 HA SER A 6 14.192 -5.629 2.634 1.00 1.00 H new ATOM 0 HB2 SER A 6 16.694 -5.248 3.007 1.00 1.00 H new ATOM 0 HB3 SER A 6 16.409 -5.176 4.735 1.00 1.00 H new ATOM 0 HG SER A 6 15.310 -7.341 3.220 1.00 1.00 H new ATOM 90 N CYS A 7 13.235 -6.869 4.636 1.00 1.00 N ATOM 91 CA CYS A 7 12.359 -7.413 5.728 1.00 1.00 C ATOM 92 C CYS A 7 12.960 -8.692 6.293 1.00 1.00 C ATOM 93 O CYS A 7 13.786 -9.334 5.673 1.00 1.00 O ATOM 94 CB CYS A 7 10.953 -7.739 5.202 1.00 1.00 C ATOM 95 SG CYS A 7 10.773 -8.827 3.769 1.00 1.00 S ATOM 0 H CYS A 7 13.444 -7.523 3.882 1.00 1.00 H new ATOM 0 HA CYS A 7 12.289 -6.648 6.502 1.00 1.00 H new ATOM 0 HB2 CYS A 7 10.391 -8.184 6.023 1.00 1.00 H new ATOM 0 HB3 CYS A 7 10.467 -6.794 4.959 1.00 1.00 H new ATOM 100 N SER A 8 12.498 -9.003 7.473 1.00 1.00 N ATOM 101 CA SER A 8 12.953 -10.220 8.200 1.00 1.00 C ATOM 102 C SER A 8 11.698 -11.026 8.585 1.00 1.00 C ATOM 103 O SER A 8 11.705 -11.709 9.591 1.00 1.00 O ATOM 104 CB SER A 8 13.753 -9.755 9.439 1.00 1.00 C ATOM 105 OG SER A 8 14.258 -10.949 10.017 1.00 1.00 O ATOM 0 H SER A 8 11.805 -8.448 7.976 1.00 1.00 H new ATOM 0 HA SER A 8 13.599 -10.858 7.597 1.00 1.00 H new ATOM 0 HB2 SER A 8 14.561 -9.080 9.157 1.00 1.00 H new ATOM 0 HB3 SER A 8 13.117 -9.215 10.140 1.00 1.00 H new ATOM 0 HG SER A 8 13.547 -11.622 10.051 1.00 1.00 H new ATOM 111 N ALA A 9 10.686 -10.894 7.749 1.00 1.00 N ATOM 112 CA ALA A 9 9.336 -11.568 7.874 1.00 1.00 C ATOM 113 C ALA A 9 8.204 -10.538 7.850 1.00 1.00 C ATOM 114 O ALA A 9 8.430 -9.345 7.903 1.00 1.00 O ATOM 115 CB ALA A 9 9.170 -12.366 9.204 1.00 1.00 C ATOM 0 H ALA A 9 10.748 -10.300 6.922 1.00 1.00 H new ATOM 0 HA ALA A 9 9.285 -12.250 7.025 1.00 1.00 H new ATOM 0 HB1 ALA A 9 8.182 -12.825 9.232 1.00 1.00 H new ATOM 0 HB2 ALA A 9 9.933 -13.143 9.260 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.280 -11.689 10.051 1.00 1.00 H new ATOM 121 N SER A 10 7.002 -11.046 7.769 1.00 1.00 N ATOM 122 CA SER A 10 5.785 -10.179 7.730 1.00 1.00 C ATOM 123 C SER A 10 5.560 -9.526 9.096 1.00 1.00 C ATOM 124 O SER A 10 5.221 -8.364 9.182 1.00 1.00 O ATOM 125 CB SER A 10 4.578 -11.037 7.375 1.00 1.00 C ATOM 126 OG SER A 10 4.894 -11.530 6.084 1.00 1.00 O ATOM 0 H SER A 10 6.808 -12.047 7.727 1.00 1.00 H new ATOM 0 HA SER A 10 5.922 -9.397 6.983 1.00 1.00 H new ATOM 0 HB2 SER A 10 4.436 -11.847 8.091 1.00 1.00 H new ATOM 0 HB3 SER A 10 3.658 -10.453 7.368 1.00 1.00 H new ATOM 0 HG SER A 10 4.768 -12.502 6.065 1.00 1.00 H new ATOM 132 N SER A 11 5.749 -10.318 10.122 1.00 1.00 N ATOM 133 CA SER A 11 5.584 -9.870 11.518 1.00 1.00 C ATOM 134 C SER A 11 6.315 -8.563 11.820 1.00 1.00 C ATOM 135 O SER A 11 5.715 -7.597 12.253 1.00 1.00 O ATOM 136 CB SER A 11 6.074 -11.036 12.374 1.00 1.00 C ATOM 137 OG SER A 11 7.408 -11.291 11.957 1.00 1.00 O ATOM 0 H SER A 11 6.022 -11.297 10.032 1.00 1.00 H new ATOM 0 HA SER A 11 4.543 -9.628 11.733 1.00 1.00 H new ATOM 0 HB2 SER A 11 6.037 -10.785 13.434 1.00 1.00 H new ATOM 0 HB3 SER A 11 5.446 -11.915 12.233 1.00 1.00 H new ATOM 0 HG SER A 11 7.777 -12.035 12.478 1.00 1.00 H new ATOM 143 N GLN A 12 7.596 -8.587 11.571 1.00 1.00 N ATOM 144 CA GLN A 12 8.454 -7.394 11.811 1.00 1.00 C ATOM 145 C GLN A 12 8.156 -6.284 10.790 1.00 1.00 C ATOM 146 O GLN A 12 8.693 -5.200 10.909 1.00 1.00 O ATOM 147 CB GLN A 12 9.912 -7.871 11.735 1.00 1.00 C ATOM 148 CG GLN A 12 10.190 -8.462 10.349 1.00 1.00 C ATOM 149 CD GLN A 12 10.678 -7.368 9.389 1.00 1.00 C ATOM 150 OE1 GLN A 12 11.760 -6.838 9.533 1.00 1.00 O ATOM 151 NE2 GLN A 12 9.916 -6.994 8.398 1.00 1.00 N ATOM 0 H GLN A 12 8.092 -9.399 11.204 1.00 1.00 H new ATOM 0 HA GLN A 12 8.254 -6.958 12.790 1.00 1.00 H new ATOM 0 HB2 GLN A 12 10.588 -7.038 11.928 1.00 1.00 H new ATOM 0 HB3 GLN A 12 10.101 -8.619 12.505 1.00 1.00 H new ATOM 0 HG2 GLN A 12 10.941 -9.249 10.426 1.00 1.00 H new ATOM 0 HG3 GLN A 12 9.284 -8.923 9.955 1.00 1.00 H new ATOM 0 HE21 GLN A 12 9.004 -7.430 8.263 1.00 1.00 H new ATOM 0 HE22 GLN A 12 10.233 -6.266 7.758 1.00 1.00 H new ATOM 160 N CYS A 13 7.317 -6.577 9.820 1.00 1.00 N ATOM 161 CA CYS A 13 6.968 -5.553 8.790 1.00 1.00 C ATOM 162 C CYS A 13 5.760 -4.781 9.234 1.00 1.00 C ATOM 163 O CYS A 13 5.664 -3.626 8.913 1.00 1.00 O ATOM 164 CB CYS A 13 6.621 -6.187 7.466 1.00 1.00 C ATOM 165 SG CYS A 13 6.420 -4.949 6.164 1.00 1.00 S ATOM 0 H CYS A 13 6.861 -7.482 9.701 1.00 1.00 H new ATOM 0 HA CYS A 13 7.840 -4.909 8.673 1.00 1.00 H new ATOM 0 HB2 CYS A 13 7.405 -6.889 7.182 1.00 1.00 H new ATOM 0 HB3 CYS A 13 5.700 -6.761 7.568 1.00 1.00 H new ATOM 170 N TRP A 14 4.869 -5.406 9.939 1.00 1.00 N ATOM 171 CA TRP A 14 3.651 -4.705 10.416 1.00 1.00 C ATOM 172 C TRP A 14 3.962 -3.302 11.015 1.00 1.00 C ATOM 173 O TRP A 14 3.342 -2.333 10.610 1.00 1.00 O ATOM 174 CB TRP A 14 2.983 -5.624 11.439 1.00 1.00 C ATOM 175 CG TRP A 14 2.663 -7.000 10.838 1.00 1.00 C ATOM 176 CD1 TRP A 14 2.480 -7.261 9.515 1.00 1.00 C ATOM 177 CD2 TRP A 14 2.501 -8.142 11.537 1.00 1.00 C ATOM 178 NE1 TRP A 14 2.220 -8.553 9.494 1.00 1.00 N ATOM 179 CE2 TRP A 14 2.209 -9.181 10.660 1.00 1.00 C ATOM 180 CE3 TRP A 14 2.584 -8.399 12.908 1.00 1.00 C ATOM 181 CZ2 TRP A 14 1.999 -10.471 11.140 1.00 1.00 C ATOM 182 CZ3 TRP A 14 2.373 -9.687 13.390 1.00 1.00 C ATOM 183 CH2 TRP A 14 2.081 -10.723 12.507 1.00 1.00 C ATOM 0 H TRP A 14 4.932 -6.387 10.210 1.00 1.00 H new ATOM 0 HA TRP A 14 2.983 -4.508 9.578 1.00 1.00 H new ATOM 0 HB2 TRP A 14 3.638 -5.746 12.301 1.00 1.00 H new ATOM 0 HB3 TRP A 14 2.064 -5.161 11.800 1.00 1.00 H new ATOM 0 HD1 TRP A 14 2.535 -6.575 8.683 1.00 1.00 H new ATOM 0 HE1 TRP A 14 2.036 -9.046 8.620 1.00 1.00 H new ATOM 0 HE3 TRP A 14 2.812 -7.597 13.594 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 1.773 -11.274 10.454 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 2.436 -9.883 14.450 1.00 1.00 H new ATOM 0 HH2 TRP A 14 1.918 -11.722 12.882 1.00 1.00 H new ATOM 194 N PRO A 15 4.898 -3.205 11.941 1.00 1.00 N ATOM 195 CA PRO A 15 5.364 -1.893 12.480 1.00 1.00 C ATOM 196 C PRO A 15 5.957 -0.982 11.388 1.00 1.00 C ATOM 197 O PRO A 15 5.836 0.217 11.468 1.00 1.00 O ATOM 198 CB PRO A 15 6.375 -2.271 13.570 1.00 1.00 C ATOM 199 CG PRO A 15 6.922 -3.619 13.066 1.00 1.00 C ATOM 200 CD PRO A 15 5.650 -4.328 12.586 1.00 1.00 C ATOM 0 HA PRO A 15 4.545 -1.296 12.882 1.00 1.00 H new ATOM 0 HB2 PRO A 15 7.163 -1.525 13.668 1.00 1.00 H new ATOM 0 HB3 PRO A 15 5.902 -2.365 14.547 1.00 1.00 H new ATOM 0 HG2 PRO A 15 7.644 -3.489 12.260 1.00 1.00 H new ATOM 0 HG3 PRO A 15 7.424 -4.176 13.857 1.00 1.00 H new ATOM 0 HD2 PRO A 15 5.870 -5.130 11.882 1.00 1.00 H new ATOM 0 HD3 PRO A 15 5.093 -4.772 13.411 1.00 1.00 H new ATOM 208 N VAL A 16 6.578 -1.586 10.402 1.00 1.00 N ATOM 209 CA VAL A 16 7.194 -0.785 9.285 1.00 1.00 C ATOM 210 C VAL A 16 6.039 -0.185 8.454 1.00 1.00 C ATOM 211 O VAL A 16 6.019 0.974 8.136 1.00 1.00 O ATOM 212 CB VAL A 16 8.082 -1.720 8.418 1.00 1.00 C ATOM 213 CG1 VAL A 16 8.768 -0.910 7.300 1.00 1.00 C ATOM 214 CG2 VAL A 16 9.172 -2.358 9.304 1.00 1.00 C ATOM 0 H VAL A 16 6.687 -2.597 10.319 1.00 1.00 H new ATOM 0 HA VAL A 16 7.825 0.018 9.667 1.00 1.00 H new ATOM 0 HB VAL A 16 7.453 -2.493 7.977 1.00 1.00 H new ATOM 0 HG11 VAL A 16 9.388 -1.574 6.698 1.00 1.00 H new ATOM 0 HG12 VAL A 16 8.010 -0.449 6.667 1.00 1.00 H new ATOM 0 HG13 VAL A 16 9.392 -0.134 7.743 1.00 1.00 H new ATOM 0 HG21 VAL A 16 9.796 -3.014 8.697 1.00 1.00 H new ATOM 0 HG22 VAL A 16 9.789 -1.574 9.743 1.00 1.00 H new ATOM 0 HG23 VAL A 16 8.702 -2.937 10.099 1.00 1.00 H new ATOM 224 N CYS A 17 5.113 -1.037 8.125 1.00 1.00 N ATOM 225 CA CYS A 17 3.887 -0.689 7.329 1.00 1.00 C ATOM 226 C CYS A 17 3.148 0.388 8.101 1.00 1.00 C ATOM 227 O CYS A 17 2.565 1.297 7.547 1.00 1.00 O ATOM 228 CB CYS A 17 3.058 -1.957 7.216 1.00 1.00 C ATOM 229 SG CYS A 17 1.465 -2.059 6.357 1.00 1.00 S ATOM 0 H CYS A 17 5.154 -2.021 8.389 1.00 1.00 H new ATOM 0 HA CYS A 17 4.112 -0.319 6.329 1.00 1.00 H new ATOM 0 HB2 CYS A 17 3.703 -2.701 6.748 1.00 1.00 H new ATOM 0 HB3 CYS A 17 2.874 -2.291 8.237 1.00 1.00 H new ATOM 234 N LYS A 18 3.207 0.224 9.391 1.00 1.00 N ATOM 235 CA LYS A 18 2.546 1.193 10.301 1.00 1.00 C ATOM 236 C LYS A 18 3.249 2.545 10.281 1.00 1.00 C ATOM 237 O LYS A 18 2.575 3.553 10.201 1.00 1.00 O ATOM 238 CB LYS A 18 2.528 0.502 11.681 1.00 1.00 C ATOM 239 CG LYS A 18 2.123 1.422 12.842 1.00 1.00 C ATOM 240 CD LYS A 18 3.377 2.119 13.413 1.00 1.00 C ATOM 241 CE LYS A 18 2.964 3.095 14.505 1.00 1.00 C ATOM 242 NZ LYS A 18 2.333 2.375 15.648 1.00 1.00 N ATOM 0 H LYS A 18 3.689 -0.546 9.856 1.00 1.00 H new ATOM 0 HA LYS A 18 1.528 1.436 9.996 1.00 1.00 H new ATOM 0 HB2 LYS A 18 1.838 -0.341 11.643 1.00 1.00 H new ATOM 0 HB3 LYS A 18 3.519 0.095 11.884 1.00 1.00 H new ATOM 0 HG2 LYS A 18 1.406 2.167 12.496 1.00 1.00 H new ATOM 0 HG3 LYS A 18 1.629 0.843 13.623 1.00 1.00 H new ATOM 0 HD2 LYS A 18 4.067 1.377 13.816 1.00 1.00 H new ATOM 0 HD3 LYS A 18 3.905 2.647 12.619 1.00 1.00 H new ATOM 0 HE2 LYS A 18 3.836 3.647 14.854 1.00 1.00 H new ATOM 0 HE3 LYS A 18 2.265 3.827 14.100 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 2.276 3.010 16.469 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 1.376 2.069 15.380 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 2.907 1.543 15.893 1.00 1.00 H new ATOM 256 N LYS A 19 4.555 2.572 10.347 1.00 1.00 N ATOM 257 CA LYS A 19 5.224 3.911 10.320 1.00 1.00 C ATOM 258 C LYS A 19 5.106 4.538 8.913 1.00 1.00 C ATOM 259 O LYS A 19 4.958 5.736 8.786 1.00 1.00 O ATOM 260 CB LYS A 19 6.725 3.763 10.729 1.00 1.00 C ATOM 261 CG LYS A 19 7.475 2.777 9.839 1.00 1.00 C ATOM 262 CD LYS A 19 8.985 2.724 10.181 1.00 1.00 C ATOM 263 CE LYS A 19 9.689 4.044 9.790 1.00 1.00 C ATOM 264 NZ LYS A 19 9.539 4.299 8.328 1.00 1.00 N ATOM 0 H LYS A 19 5.169 1.761 10.416 1.00 1.00 H new ATOM 0 HA LYS A 19 4.730 4.570 11.033 1.00 1.00 H new ATOM 0 HB2 LYS A 19 7.211 4.737 10.677 1.00 1.00 H new ATOM 0 HB3 LYS A 19 6.785 3.431 11.766 1.00 1.00 H new ATOM 0 HG2 LYS A 19 7.042 1.783 9.953 1.00 1.00 H new ATOM 0 HG3 LYS A 19 7.349 3.062 8.795 1.00 1.00 H new ATOM 0 HD2 LYS A 19 9.114 2.541 11.248 1.00 1.00 H new ATOM 0 HD3 LYS A 19 9.451 1.890 9.656 1.00 1.00 H new ATOM 0 HE2 LYS A 19 9.263 4.872 10.356 1.00 1.00 H new ATOM 0 HE3 LYS A 19 10.746 3.991 10.050 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 10.259 4.983 8.019 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 9.661 3.408 7.806 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 8.592 4.684 8.138 1.00 1.00 H new ATOM 278 N LEU A 20 5.173 3.707 7.898 1.00 1.00 N ATOM 279 CA LEU A 20 5.083 4.144 6.490 1.00 1.00 C ATOM 280 C LEU A 20 3.730 4.625 5.966 1.00 1.00 C ATOM 281 O LEU A 20 3.630 5.722 5.451 1.00 1.00 O ATOM 282 CB LEU A 20 5.576 2.978 5.637 1.00 1.00 C ATOM 283 CG LEU A 20 7.086 2.676 5.824 1.00 1.00 C ATOM 284 CD1 LEU A 20 7.428 1.459 4.953 1.00 1.00 C ATOM 285 CD2 LEU A 20 7.954 3.872 5.386 1.00 1.00 C ATOM 0 H LEU A 20 5.292 2.700 8.008 1.00 1.00 H new ATOM 0 HA LEU A 20 5.690 5.047 6.427 1.00 1.00 H new ATOM 0 HB2 LEU A 20 5.001 2.086 5.886 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.384 3.198 4.587 1.00 1.00 H new ATOM 0 HG LEU A 20 7.289 2.483 6.877 1.00 1.00 H new ATOM 0 HD11 LEU A 20 8.486 1.219 5.062 1.00 1.00 H new ATOM 0 HD12 LEU A 20 6.828 0.605 5.269 1.00 1.00 H new ATOM 0 HD13 LEU A 20 7.213 1.687 3.909 1.00 1.00 H new ATOM 0 HD21 LEU A 20 9.007 3.629 5.529 1.00 1.00 H new ATOM 0 HD22 LEU A 20 7.771 4.088 4.333 1.00 1.00 H new ATOM 0 HD23 LEU A 20 7.698 4.746 5.985 1.00 1.00 H new ATOM 297 N PHE A 21 2.725 3.800 6.110 1.00 1.00 N ATOM 298 CA PHE A 21 1.374 4.114 5.643 1.00 1.00 C ATOM 299 C PHE A 21 0.472 4.509 6.804 1.00 1.00 C ATOM 300 O PHE A 21 -0.260 5.469 6.723 1.00 1.00 O ATOM 301 CB PHE A 21 0.923 2.860 4.945 1.00 1.00 C ATOM 302 CG PHE A 21 1.959 2.417 3.885 1.00 1.00 C ATOM 303 CD1 PHE A 21 3.051 1.664 4.267 1.00 1.00 C ATOM 304 CD2 PHE A 21 1.834 2.780 2.558 1.00 1.00 C ATOM 305 CE1 PHE A 21 4.004 1.275 3.356 1.00 1.00 C ATOM 306 CE2 PHE A 21 2.790 2.393 1.639 1.00 1.00 C ATOM 307 CZ PHE A 21 3.873 1.639 2.041 1.00 1.00 C ATOM 0 H PHE A 21 2.807 2.885 6.554 1.00 1.00 H new ATOM 0 HA PHE A 21 1.340 4.972 4.971 1.00 1.00 H new ATOM 0 HB2 PHE A 21 0.780 2.063 5.675 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -0.042 3.031 4.467 1.00 1.00 H new ATOM 0 HD1 PHE A 21 3.159 1.375 5.302 1.00 1.00 H new ATOM 0 HD2 PHE A 21 0.986 3.368 2.238 1.00 1.00 H new ATOM 0 HE1 PHE A 21 4.851 0.686 3.675 1.00 1.00 H new ATOM 0 HE2 PHE A 21 2.689 2.681 0.603 1.00 1.00 H new ATOM 0 HZ PHE A 21 4.617 1.336 1.320 1.00 1.00 H new ATOM 317 N GLY A 22 0.578 3.737 7.853 1.00 1.00 N ATOM 318 CA GLY A 22 -0.225 3.973 9.079 1.00 1.00 C ATOM 319 C GLY A 22 -0.993 2.715 9.452 1.00 1.00 C ATOM 320 O GLY A 22 -1.915 2.802 10.243 1.00 1.00 O ATOM 0 H GLY A 22 1.205 2.934 7.908 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.429 4.266 9.900 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -0.919 4.797 8.915 1.00 1.00 H new ATOM 324 N THR A 23 -0.609 1.586 8.891 1.00 1.00 N ATOM 325 CA THR A 23 -1.350 0.322 9.247 1.00 1.00 C ATOM 326 C THR A 23 -0.429 -0.800 9.699 1.00 1.00 C ATOM 327 O THR A 23 0.760 -0.752 9.530 1.00 1.00 O ATOM 328 CB THR A 23 -2.178 -0.131 8.037 1.00 1.00 C ATOM 329 OG1 THR A 23 -2.993 -1.176 8.538 1.00 1.00 O ATOM 330 CG2 THR A 23 -1.334 -0.778 6.923 1.00 1.00 C ATOM 0 H THR A 23 0.157 1.483 8.225 1.00 1.00 H new ATOM 0 HA THR A 23 -1.999 0.549 10.093 1.00 1.00 H new ATOM 0 HB THR A 23 -2.692 0.734 7.617 1.00 1.00 H new ATOM 0 HG1 THR A 23 -3.836 -1.201 8.039 1.00 1.00 H new ATOM 0 HG21 THR A 23 -1.984 -1.074 6.100 1.00 1.00 H new ATOM 0 HG22 THR A 23 -0.596 -0.061 6.563 1.00 1.00 H new ATOM 0 HG23 THR A 23 -0.824 -1.657 7.317 1.00 1.00 H new ATOM 338 N TYR A 24 -1.053 -1.805 10.243 1.00 1.00 N ATOM 339 CA TYR A 24 -0.292 -2.987 10.756 1.00 1.00 C ATOM 340 C TYR A 24 -0.459 -4.273 9.926 1.00 1.00 C ATOM 341 O TYR A 24 0.010 -5.316 10.333 1.00 1.00 O ATOM 342 CB TYR A 24 -0.758 -3.193 12.216 1.00 1.00 C ATOM 343 CG TYR A 24 0.452 -3.315 13.152 1.00 1.00 C ATOM 344 CD1 TYR A 24 1.189 -2.190 13.464 1.00 1.00 C ATOM 345 CD2 TYR A 24 0.839 -4.529 13.683 1.00 1.00 C ATOM 346 CE1 TYR A 24 2.288 -2.271 14.286 1.00 1.00 C ATOM 347 CE2 TYR A 24 1.940 -4.613 14.509 1.00 1.00 C ATOM 348 CZ TYR A 24 2.673 -3.484 14.814 1.00 1.00 C ATOM 349 OH TYR A 24 3.778 -3.570 15.638 1.00 1.00 O ATOM 0 H TYR A 24 -2.065 -1.863 10.357 1.00 1.00 H new ATOM 0 HA TYR A 24 0.776 -2.779 10.684 1.00 1.00 H new ATOM 0 HB2 TYR A 24 -1.383 -2.356 12.526 1.00 1.00 H new ATOM 0 HB3 TYR A 24 -1.371 -4.091 12.285 1.00 1.00 H new ATOM 0 HD1 TYR A 24 0.898 -1.233 13.057 1.00 1.00 H new ATOM 0 HD2 TYR A 24 0.275 -5.420 13.450 1.00 1.00 H new ATOM 0 HE1 TYR A 24 2.852 -1.380 14.519 1.00 1.00 H new ATOM 0 HE2 TYR A 24 2.231 -5.569 14.920 1.00 1.00 H new ATOM 0 HH TYR A 24 3.904 -4.500 15.921 1.00 1.00 H new ATOM 359 N ARG A 25 -1.112 -4.181 8.794 1.00 1.00 N ATOM 360 CA ARG A 25 -1.336 -5.335 7.912 1.00 1.00 C ATOM 361 C ARG A 25 -0.387 -5.263 6.702 1.00 1.00 C ATOM 362 O ARG A 25 -0.764 -4.904 5.604 1.00 1.00 O ATOM 363 CB ARG A 25 -2.810 -5.268 7.546 1.00 1.00 C ATOM 364 CG ARG A 25 -3.268 -3.932 6.913 1.00 1.00 C ATOM 365 CD ARG A 25 -4.786 -3.985 6.649 1.00 1.00 C ATOM 366 NE ARG A 25 -5.067 -5.051 5.637 1.00 1.00 N ATOM 367 CZ ARG A 25 -5.737 -4.781 4.546 1.00 1.00 C ATOM 368 NH1 ARG A 25 -5.455 -3.710 3.859 1.00 1.00 N ATOM 369 NH2 ARG A 25 -6.679 -5.605 4.180 1.00 1.00 N ATOM 0 H ARG A 25 -1.510 -3.309 8.444 1.00 1.00 H new ATOM 0 HA ARG A 25 -1.116 -6.295 8.379 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -3.033 -6.077 6.851 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -3.400 -5.448 8.444 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -3.032 -3.102 7.579 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -2.731 -3.756 5.981 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -5.322 -4.194 7.575 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -5.139 -3.019 6.287 1.00 1.00 H new ATOM 0 HE ARG A 25 -4.732 -6.001 5.800 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -4.713 -3.084 4.172 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -5.976 -3.498 3.008 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -6.877 -6.434 4.740 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -7.218 -5.420 3.334 1.00 1.00 H new ATOM 383 N GLY A 26 0.837 -5.613 6.968 1.00 1.00 N ATOM 384 CA GLY A 26 1.899 -5.613 5.938 1.00 1.00 C ATOM 385 C GLY A 26 2.485 -7.020 5.850 1.00 1.00 C ATOM 386 O GLY A 26 2.258 -7.868 6.690 1.00 1.00 O ATOM 0 H GLY A 26 1.152 -5.909 7.892 1.00 1.00 H new ATOM 0 HA2 GLY A 26 1.492 -5.311 4.973 1.00 1.00 H new ATOM 0 HA3 GLY A 26 2.677 -4.894 6.195 1.00 1.00 H new ATOM 390 N LYS A 27 3.226 -7.200 4.799 1.00 1.00 N ATOM 391 CA LYS A 27 3.893 -8.507 4.516 1.00 1.00 C ATOM 392 C LYS A 27 5.362 -8.343 4.095 1.00 1.00 C ATOM 393 O LYS A 27 5.812 -7.260 3.789 1.00 1.00 O ATOM 394 CB LYS A 27 3.090 -9.201 3.387 1.00 1.00 C ATOM 395 CG LYS A 27 2.746 -10.662 3.714 1.00 1.00 C ATOM 396 CD LYS A 27 1.818 -10.721 4.955 1.00 1.00 C ATOM 397 CE LYS A 27 1.589 -12.169 5.360 1.00 1.00 C ATOM 398 NZ LYS A 27 0.889 -12.917 4.278 1.00 1.00 N ATOM 0 H LYS A 27 3.405 -6.478 4.101 1.00 1.00 H new ATOM 0 HA LYS A 27 3.903 -9.105 5.427 1.00 1.00 H new ATOM 0 HB2 LYS A 27 2.169 -8.647 3.209 1.00 1.00 H new ATOM 0 HB3 LYS A 27 3.667 -9.166 2.463 1.00 1.00 H new ATOM 0 HG2 LYS A 27 2.256 -11.129 2.860 1.00 1.00 H new ATOM 0 HG3 LYS A 27 3.659 -11.226 3.905 1.00 1.00 H new ATOM 0 HD2 LYS A 27 2.266 -10.169 5.782 1.00 1.00 H new ATOM 0 HD3 LYS A 27 0.865 -10.242 4.731 1.00 1.00 H new ATOM 0 HE2 LYS A 27 2.545 -12.646 5.578 1.00 1.00 H new ATOM 0 HE3 LYS A 27 0.998 -12.206 6.275 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 0.563 -13.834 4.645 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 0.072 -12.366 3.948 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 1.544 -13.074 3.485 1.00 1.00 H new ATOM 412 N CYS A 28 6.062 -9.443 4.108 1.00 1.00 N ATOM 413 CA CYS A 28 7.501 -9.472 3.706 1.00 1.00 C ATOM 414 C CYS A 28 7.579 -10.216 2.370 1.00 1.00 C ATOM 415 O CYS A 28 7.368 -11.414 2.303 1.00 1.00 O ATOM 416 CB CYS A 28 8.273 -10.191 4.769 1.00 1.00 C ATOM 417 SG CYS A 28 10.031 -10.551 4.514 1.00 1.00 S ATOM 0 H CYS A 28 5.688 -10.349 4.388 1.00 1.00 H new ATOM 0 HA CYS A 28 7.920 -8.472 3.594 1.00 1.00 H new ATOM 0 HB2 CYS A 28 8.190 -9.605 5.684 1.00 1.00 H new ATOM 0 HB3 CYS A 28 7.769 -11.140 4.951 1.00 1.00 H new ATOM 422 N MET A 29 7.883 -9.460 1.349 1.00 1.00 N ATOM 423 CA MET A 29 7.998 -10.011 -0.036 1.00 1.00 C ATOM 424 C MET A 29 9.282 -9.516 -0.652 1.00 1.00 C ATOM 425 O MET A 29 9.690 -8.398 -0.418 1.00 1.00 O ATOM 426 CB MET A 29 6.816 -9.546 -0.891 1.00 1.00 C ATOM 427 CG MET A 29 5.566 -10.292 -0.446 1.00 1.00 C ATOM 428 SD MET A 29 5.576 -12.099 -0.577 1.00 1.00 S ATOM 429 CE MET A 29 5.047 -12.233 -2.303 1.00 1.00 C ATOM 0 H MET A 29 8.061 -8.458 1.418 1.00 1.00 H new ATOM 0 HA MET A 29 7.995 -11.100 0.008 1.00 1.00 H new ATOM 0 HB2 MET A 29 6.672 -8.471 -0.784 1.00 1.00 H new ATOM 0 HB3 MET A 29 7.014 -9.737 -1.946 1.00 1.00 H new ATOM 0 HG2 MET A 29 5.372 -10.032 0.595 1.00 1.00 H new ATOM 0 HG3 MET A 29 4.725 -9.917 -1.030 1.00 1.00 H new ATOM 0 HE1 MET A 29 4.989 -13.284 -2.585 1.00 1.00 H new ATOM 0 HE2 MET A 29 4.066 -11.771 -2.420 1.00 1.00 H new ATOM 0 HE3 MET A 29 5.766 -11.724 -2.945 1.00 1.00 H new ATOM 439 N ASN A 30 9.856 -10.381 -1.452 1.00 1.00 N ATOM 440 CA ASN A 30 11.149 -10.077 -2.153 1.00 1.00 C ATOM 441 C ASN A 30 12.099 -9.448 -1.108 1.00 1.00 C ATOM 442 O ASN A 30 12.692 -8.407 -1.319 1.00 1.00 O ATOM 443 CB ASN A 30 10.875 -9.091 -3.320 1.00 1.00 C ATOM 444 CG ASN A 30 9.865 -9.705 -4.299 1.00 1.00 C ATOM 445 OD1 ASN A 30 8.723 -9.955 -3.964 1.00 1.00 O ATOM 446 ND2 ASN A 30 10.244 -9.961 -5.522 1.00 1.00 N ATOM 0 H ASN A 30 9.476 -11.306 -1.655 1.00 1.00 H new ATOM 0 HA ASN A 30 11.602 -10.976 -2.571 1.00 1.00 H new ATOM 0 HB2 ASN A 30 10.489 -8.150 -2.929 1.00 1.00 H new ATOM 0 HB3 ASN A 30 11.805 -8.862 -3.840 1.00 1.00 H new ATOM 0 HD21 ASN A 30 9.584 -10.367 -6.186 1.00 1.00 H new ATOM 0 HD22 ASN A 30 11.200 -9.755 -5.813 1.00 1.00 H new ATOM 453 N SER A 31 12.181 -10.157 -0.010 1.00 1.00 N ATOM 454 CA SER A 31 13.020 -9.779 1.172 1.00 1.00 C ATOM 455 C SER A 31 12.924 -8.272 1.490 1.00 1.00 C ATOM 456 O SER A 31 13.881 -7.660 1.917 1.00 1.00 O ATOM 457 CB SER A 31 14.480 -10.195 0.860 1.00 1.00 C ATOM 458 OG SER A 31 15.195 -9.967 2.067 1.00 1.00 O ATOM 0 H SER A 31 11.671 -11.031 0.121 1.00 1.00 H new ATOM 0 HA SER A 31 12.658 -10.296 2.061 1.00 1.00 H new ATOM 0 HB2 SER A 31 14.536 -11.241 0.560 1.00 1.00 H new ATOM 0 HB3 SER A 31 14.891 -9.606 0.041 1.00 1.00 H new ATOM 0 HG SER A 31 14.936 -9.099 2.442 1.00 1.00 H new ATOM 464 N LYS A 32 11.746 -7.735 1.269 1.00 1.00 N ATOM 465 CA LYS A 32 11.466 -6.290 1.522 1.00 1.00 C ATOM 466 C LYS A 32 10.074 -6.160 2.115 1.00 1.00 C ATOM 467 O LYS A 32 9.265 -7.056 1.969 1.00 1.00 O ATOM 468 CB LYS A 32 11.525 -5.492 0.210 1.00 1.00 C ATOM 469 CG LYS A 32 12.987 -5.281 -0.188 1.00 1.00 C ATOM 470 CD LYS A 32 13.024 -4.434 -1.470 1.00 1.00 C ATOM 471 CE LYS A 32 14.473 -4.052 -1.773 1.00 1.00 C ATOM 472 NZ LYS A 32 14.992 -3.130 -0.718 1.00 1.00 N ATOM 0 H LYS A 32 10.946 -8.258 0.913 1.00 1.00 H new ATOM 0 HA LYS A 32 12.216 -5.896 2.209 1.00 1.00 H new ATOM 0 HB2 LYS A 32 10.995 -6.027 -0.578 1.00 1.00 H new ATOM 0 HB3 LYS A 32 11.027 -4.530 0.333 1.00 1.00 H new ATOM 0 HG2 LYS A 32 13.530 -4.780 0.613 1.00 1.00 H new ATOM 0 HG3 LYS A 32 13.477 -6.240 -0.353 1.00 1.00 H new ATOM 0 HD2 LYS A 32 12.600 -4.994 -2.304 1.00 1.00 H new ATOM 0 HD3 LYS A 32 12.416 -3.538 -1.347 1.00 1.00 H new ATOM 0 HE2 LYS A 32 15.091 -4.948 -1.820 1.00 1.00 H new ATOM 0 HE3 LYS A 32 14.534 -3.571 -2.749 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 15.338 -2.255 -1.161 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 14.228 -2.902 -0.050 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 15.772 -3.591 -0.207 1.00 1.00 H new ATOM 486 N CYS A 33 9.811 -5.060 2.768 1.00 1.00 N ATOM 487 CA CYS A 33 8.455 -4.901 3.364 1.00 1.00 C ATOM 488 C CYS A 33 7.356 -4.668 2.318 1.00 1.00 C ATOM 489 O CYS A 33 7.607 -4.271 1.197 1.00 1.00 O ATOM 490 CB CYS A 33 8.477 -3.731 4.342 1.00 1.00 C ATOM 491 SG CYS A 33 8.251 -4.102 6.095 1.00 1.00 S ATOM 0 H CYS A 33 10.457 -4.284 2.912 1.00 1.00 H new ATOM 0 HA CYS A 33 8.215 -5.836 3.871 1.00 1.00 H new ATOM 0 HB2 CYS A 33 9.431 -3.216 4.228 1.00 1.00 H new ATOM 0 HB3 CYS A 33 7.698 -3.029 4.044 1.00 1.00 H new ATOM 496 N ARG A 34 6.160 -4.944 2.759 1.00 1.00 N ATOM 497 CA ARG A 34 4.938 -4.787 1.943 1.00 1.00 C ATOM 498 C ARG A 34 3.897 -4.255 2.919 1.00 1.00 C ATOM 499 O ARG A 34 3.941 -4.532 4.102 1.00 1.00 O ATOM 500 CB ARG A 34 4.508 -6.135 1.412 1.00 1.00 C ATOM 501 CG ARG A 34 3.407 -6.006 0.392 1.00 1.00 C ATOM 502 CD ARG A 34 2.952 -7.429 0.044 1.00 1.00 C ATOM 503 NE ARG A 34 1.871 -7.328 -0.965 1.00 1.00 N ATOM 504 CZ ARG A 34 1.857 -8.075 -2.042 1.00 1.00 C ATOM 505 NH1 ARG A 34 2.973 -8.492 -2.580 1.00 1.00 N ATOM 506 NH2 ARG A 34 0.701 -8.388 -2.553 1.00 1.00 N ATOM 0 H ARG A 34 5.980 -5.289 3.702 1.00 1.00 H new ATOM 0 HA ARG A 34 5.082 -4.127 1.087 1.00 1.00 H new ATOM 0 HB2 ARG A 34 5.364 -6.639 0.962 1.00 1.00 H new ATOM 0 HB3 ARG A 34 4.168 -6.760 2.238 1.00 1.00 H new ATOM 0 HG2 ARG A 34 2.578 -5.422 0.791 1.00 1.00 H new ATOM 0 HG3 ARG A 34 3.764 -5.486 -0.497 1.00 1.00 H new ATOM 0 HD2 ARG A 34 3.786 -8.011 -0.348 1.00 1.00 H new ATOM 0 HD3 ARG A 34 2.595 -7.944 0.936 1.00 1.00 H new ATOM 0 HE ARG A 34 1.116 -6.658 -0.817 1.00 1.00 H new ATOM 0 HH11 ARG A 34 3.867 -8.237 -2.162 1.00 1.00 H new ATOM 0 HH12 ARG A 34 2.949 -9.073 -3.418 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -0.157 -8.053 -2.115 1.00 1.00 H new ATOM 0 HH22 ARG A 34 0.654 -8.968 -3.391 1.00 1.00 H new ATOM 520 N CYS A 35 2.993 -3.508 2.370 1.00 1.00 N ATOM 521 CA CYS A 35 1.889 -2.905 3.172 1.00 1.00 C ATOM 522 C CYS A 35 0.621 -3.010 2.318 1.00 1.00 C ATOM 523 O CYS A 35 0.708 -3.176 1.116 1.00 1.00 O ATOM 524 CB CYS A 35 2.253 -1.435 3.482 1.00 1.00 C ATOM 525 SG CYS A 35 1.426 -0.669 4.898 1.00 1.00 S ATOM 0 H CYS A 35 2.967 -3.281 1.376 1.00 1.00 H new ATOM 0 HA CYS A 35 1.732 -3.414 4.123 1.00 1.00 H new ATOM 0 HB2 CYS A 35 3.329 -1.379 3.646 1.00 1.00 H new ATOM 0 HB3 CYS A 35 2.034 -0.837 2.597 1.00 1.00 H new ATOM 530 N TYR A 36 -0.508 -2.906 2.951 1.00 1.00 N ATOM 531 CA TYR A 36 -1.809 -2.999 2.220 1.00 1.00 C ATOM 532 C TYR A 36 -2.506 -1.641 2.322 1.00 1.00 C ATOM 533 O TYR A 36 -2.924 -1.089 1.324 1.00 1.00 O ATOM 534 CB TYR A 36 -2.635 -4.115 2.880 1.00 1.00 C ATOM 535 CG TYR A 36 -1.918 -5.490 2.835 1.00 1.00 C ATOM 536 CD1 TYR A 36 -0.945 -5.800 1.894 1.00 1.00 C ATOM 537 CD2 TYR A 36 -2.257 -6.456 3.765 1.00 1.00 C ATOM 538 CE1 TYR A 36 -0.336 -7.034 1.891 1.00 1.00 C ATOM 539 CE2 TYR A 36 -1.644 -7.692 3.758 1.00 1.00 C ATOM 540 CZ TYR A 36 -0.678 -7.987 2.820 1.00 1.00 C ATOM 541 OH TYR A 36 -0.073 -9.228 2.807 1.00 1.00 O ATOM 0 H TYR A 36 -0.592 -2.759 3.957 1.00 1.00 H new ATOM 0 HA TYR A 36 -1.677 -3.239 1.165 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -2.837 -3.848 3.917 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -3.599 -4.195 2.378 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -0.663 -5.064 1.156 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -3.012 -6.240 4.507 1.00 1.00 H new ATOM 0 HE1 TYR A 36 0.419 -7.256 1.151 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -1.923 -8.433 4.492 1.00 1.00 H new ATOM 0 HH TYR A 36 0.387 -9.359 1.952 1.00 1.00 H new