USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 258 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 157:sc= 0.797 (180deg=0.531) USER MOD Single : A 5 SER OG : rot 180:sc= 0.543 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -164:sc= 1.61 (180deg=1.48) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -111:sc= 1.17 (180deg=-0.0912) USER MOD Single : A 23 ASN : amide:sc= 0.387 K(o=0.39,f=-3.5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -1.18! C(o=-1.2!,f=-4.3!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.0373 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.906 -3.300 7.539 1.00 0.00 N ATOM 2 CA ALA A 1 0.533 -3.830 7.469 1.00 0.00 C ATOM 3 C ALA A 1 -0.104 -3.527 6.118 1.00 0.00 C ATOM 4 O ALA A 1 -0.149 -2.371 5.708 1.00 0.00 O ATOM 5 CB ALA A 1 -0.361 -3.284 8.591 1.00 0.00 C ATOM 0 H1 ALA A 1 2.174 -3.162 8.534 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.561 -3.974 7.094 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.953 -2.390 7.038 1.00 0.00 H new ATOM 0 HA ALA A 1 0.614 -4.909 7.597 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.362 -3.704 8.496 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.058 -3.562 9.558 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -0.415 -2.198 8.517 1.00 0.00 H new ATOM 13 N ALA A 2 -0.651 -4.545 5.452 1.00 0.00 N ATOM 14 CA ALA A 2 -1.368 -4.429 4.177 1.00 0.00 C ATOM 15 C ALA A 2 -2.902 -4.472 4.354 1.00 0.00 C ATOM 16 O ALA A 2 -3.648 -4.084 3.461 1.00 0.00 O ATOM 17 CB ALA A 2 -0.852 -5.536 3.263 1.00 0.00 C ATOM 0 H ALA A 2 -0.607 -5.505 5.795 1.00 0.00 H new ATOM 0 HA ALA A 2 -1.174 -3.455 3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.363 -5.482 2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.220 -5.412 3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.044 -6.506 3.722 1.00 0.00 H new ATOM 23 N ALA A 3 -3.370 -4.834 5.552 1.00 0.00 N ATOM 24 CA ALA A 3 -4.771 -4.858 6.018 1.00 0.00 C ATOM 25 C ALA A 3 -5.440 -3.466 6.178 1.00 0.00 C ATOM 26 O ALA A 3 -6.293 -3.241 7.044 1.00 0.00 O ATOM 27 CB ALA A 3 -4.720 -5.566 7.371 1.00 0.00 C ATOM 0 H ALA A 3 -2.732 -5.144 6.285 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.385 -5.358 5.269 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.725 -5.626 7.788 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.320 -6.572 7.241 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -4.078 -5.006 8.051 1.00 0.00 H new ATOM 33 N ILE A 4 -4.983 -2.505 5.389 1.00 0.00 N ATOM 34 CA ILE A 4 -5.267 -1.074 5.470 1.00 0.00 C ATOM 35 C ILE A 4 -6.302 -0.677 4.426 1.00 0.00 C ATOM 36 O ILE A 4 -6.524 -1.396 3.450 1.00 0.00 O ATOM 37 CB ILE A 4 -3.973 -0.268 5.261 1.00 0.00 C ATOM 38 CG1 ILE A 4 -3.285 -0.680 3.941 1.00 0.00 C ATOM 39 CG2 ILE A 4 -3.018 -0.459 6.450 1.00 0.00 C ATOM 40 CD1 ILE A 4 -2.362 0.405 3.409 1.00 0.00 C ATOM 0 H ILE A 4 -4.355 -2.719 4.614 1.00 0.00 H new ATOM 0 HA ILE A 4 -5.668 -0.854 6.459 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.234 0.788 5.198 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.713 -1.594 4.102 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.045 -0.907 3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.109 0.119 6.283 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -3.503 -0.117 7.364 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.764 -1.515 6.547 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.902 0.068 2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.937 1.312 3.221 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.585 0.614 4.144 1.00 0.00 H new ATOM 52 N SER A 5 -6.866 0.515 4.575 1.00 0.00 N ATOM 53 CA SER A 5 -7.799 1.080 3.605 1.00 0.00 C ATOM 54 C SER A 5 -7.055 1.758 2.453 1.00 0.00 C ATOM 55 O SER A 5 -6.460 2.830 2.572 1.00 0.00 O ATOM 56 CB SER A 5 -8.793 2.013 4.283 1.00 0.00 C ATOM 57 OG SER A 5 -9.517 1.269 5.245 1.00 0.00 O ATOM 0 H SER A 5 -6.689 1.121 5.376 1.00 0.00 H new ATOM 0 HA SER A 5 -8.376 0.264 3.170 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.271 2.843 4.759 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.472 2.444 3.547 1.00 0.00 H new ATOM 0 HG SER A 5 -10.162 1.855 5.694 1.00 0.00 H new ATOM 63 N CYS A 6 -7.102 1.132 1.285 1.00 0.00 N ATOM 64 CA CYS A 6 -6.554 1.654 0.027 1.00 0.00 C ATOM 65 C CYS A 6 -7.271 2.927 -0.465 1.00 0.00 C ATOM 66 O CYS A 6 -6.653 3.796 -1.073 1.00 0.00 O ATOM 67 CB CYS A 6 -6.606 0.512 -0.985 1.00 0.00 C ATOM 68 SG CYS A 6 -7.000 0.927 -2.692 1.00 0.00 S ATOM 0 H CYS A 6 -7.536 0.215 1.177 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.525 1.982 0.175 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -5.638 0.011 -0.976 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.343 -0.212 -0.637 1.00 0.00 H new ATOM 73 N VAL A 7 -8.544 3.096 -0.103 1.00 0.00 N ATOM 74 CA VAL A 7 -9.341 4.313 -0.356 1.00 0.00 C ATOM 75 C VAL A 7 -8.905 5.548 0.440 1.00 0.00 C ATOM 76 O VAL A 7 -9.444 6.637 0.233 1.00 0.00 O ATOM 77 CB VAL A 7 -10.815 4.045 -0.040 1.00 0.00 C ATOM 78 CG1 VAL A 7 -11.395 3.006 -1.007 1.00 0.00 C ATOM 79 CG2 VAL A 7 -11.069 3.557 1.389 1.00 0.00 C ATOM 0 H VAL A 7 -9.070 2.374 0.389 1.00 0.00 H new ATOM 0 HA VAL A 7 -9.178 4.540 -1.410 1.00 0.00 H new ATOM 0 HB VAL A 7 -11.307 5.011 -0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -12.443 2.830 -0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -11.315 3.376 -2.029 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -10.839 2.073 -0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -12.137 3.390 1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -10.531 2.624 1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -10.721 4.309 2.097 1.00 0.00 H new ATOM 89 N GLY A 8 -7.967 5.365 1.367 1.00 0.00 N ATOM 90 CA GLY A 8 -7.501 6.345 2.337 1.00 0.00 C ATOM 91 C GLY A 8 -6.974 7.638 1.726 1.00 0.00 C ATOM 92 O GLY A 8 -7.650 8.667 1.757 1.00 0.00 O ATOM 0 H GLY A 8 -7.484 4.472 1.464 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -8.321 6.586 3.014 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.712 5.895 2.939 1.00 0.00 H new ATOM 96 N SER A 9 -5.768 7.588 1.157 1.00 0.00 N ATOM 97 CA SER A 9 -5.226 8.701 0.354 1.00 0.00 C ATOM 98 C SER A 9 -4.276 8.157 -0.722 1.00 0.00 C ATOM 99 O SER A 9 -4.572 8.291 -1.919 1.00 0.00 O ATOM 100 CB SER A 9 -4.606 9.763 1.279 1.00 0.00 C ATOM 101 OG SER A 9 -3.788 10.675 0.566 1.00 0.00 O ATOM 0 H SER A 9 -5.141 6.787 1.234 1.00 0.00 H new ATOM 0 HA SER A 9 -6.023 9.211 -0.187 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.400 10.309 1.787 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.013 9.271 2.050 1.00 0.00 H new ATOM 0 HG SER A 9 -3.414 11.334 1.187 1.00 0.00 H new ATOM 107 N PRO A 10 -3.195 7.454 -0.342 1.00 0.00 N ATOM 108 CA PRO A 10 -2.393 6.667 -1.269 1.00 0.00 C ATOM 109 C PRO A 10 -3.016 5.272 -1.444 1.00 0.00 C ATOM 110 O PRO A 10 -3.765 4.808 -0.582 1.00 0.00 O ATOM 111 CB PRO A 10 -1.022 6.578 -0.608 1.00 0.00 C ATOM 112 CG PRO A 10 -1.403 6.460 0.865 1.00 0.00 C ATOM 113 CD PRO A 10 -2.612 7.378 0.993 1.00 0.00 C ATOM 0 HA PRO A 10 -2.334 7.109 -2.263 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.454 5.715 -0.955 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.413 7.460 -0.805 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.648 5.433 1.135 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.588 6.775 1.517 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.330 6.982 1.711 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -2.318 8.366 1.348 1.00 0.00 H new ATOM 121 N GLU A 11 -2.647 4.564 -2.506 1.00 0.00 N ATOM 122 CA GLU A 11 -3.077 3.189 -2.775 1.00 0.00 C ATOM 123 C GLU A 11 -2.590 2.210 -1.687 1.00 0.00 C ATOM 124 O GLU A 11 -3.390 1.709 -0.890 1.00 0.00 O ATOM 125 CB GLU A 11 -2.632 2.704 -4.179 1.00 0.00 C ATOM 126 CG GLU A 11 -2.910 3.637 -5.373 1.00 0.00 C ATOM 127 CD GLU A 11 -1.722 4.561 -5.695 1.00 0.00 C ATOM 128 OE1 GLU A 11 -1.404 5.442 -4.858 1.00 0.00 O ATOM 129 OE2 GLU A 11 -1.112 4.455 -6.786 1.00 0.00 O ATOM 0 H GLU A 11 -2.025 4.936 -3.224 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.167 3.200 -2.755 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.560 2.512 -4.145 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.121 1.750 -4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.146 3.036 -6.251 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.789 4.244 -5.157 1.00 0.00 H new ATOM 136 N CYS A 12 -1.280 1.955 -1.600 1.00 0.00 N ATOM 137 CA CYS A 12 -0.756 0.849 -0.786 1.00 0.00 C ATOM 138 C CYS A 12 0.668 1.059 -0.214 1.00 0.00 C ATOM 139 O CYS A 12 0.772 1.245 1.005 1.00 0.00 O ATOM 140 CB CYS A 12 -0.947 -0.433 -1.619 1.00 0.00 C ATOM 141 SG CYS A 12 -0.347 -2.009 -0.970 1.00 0.00 S ATOM 0 H CYS A 12 -0.563 2.497 -2.082 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.319 0.777 0.144 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -2.014 -0.543 -1.810 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.465 -0.271 -2.583 1.00 0.00 H new ATOM 146 N PRO A 13 1.763 1.093 -1.005 1.00 0.00 N ATOM 147 CA PRO A 13 3.136 1.050 -0.485 1.00 0.00 C ATOM 148 C PRO A 13 3.525 2.093 0.586 1.00 0.00 C ATOM 149 O PRO A 13 4.105 1.675 1.593 1.00 0.00 O ATOM 150 CB PRO A 13 4.071 1.091 -1.702 1.00 0.00 C ATOM 151 CG PRO A 13 3.188 1.479 -2.885 1.00 0.00 C ATOM 152 CD PRO A 13 1.786 1.068 -2.459 1.00 0.00 C ATOM 0 HA PRO A 13 3.229 0.127 0.087 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.872 1.816 -1.557 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.543 0.122 -1.866 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.244 2.548 -3.089 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.494 0.964 -3.796 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.042 1.751 -2.869 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.545 0.073 -2.832 1.00 0.00 H new ATOM 160 N PRO A 14 3.204 3.400 0.473 1.00 0.00 N ATOM 161 CA PRO A 14 3.597 4.407 1.473 1.00 0.00 C ATOM 162 C PRO A 14 2.755 4.355 2.763 1.00 0.00 C ATOM 163 O PRO A 14 3.164 4.890 3.796 1.00 0.00 O ATOM 164 CB PRO A 14 3.447 5.751 0.755 1.00 0.00 C ATOM 165 CG PRO A 14 2.297 5.490 -0.207 1.00 0.00 C ATOM 166 CD PRO A 14 2.559 4.056 -0.657 1.00 0.00 C ATOM 0 HA PRO A 14 4.615 4.228 1.820 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.218 6.558 1.451 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.359 6.033 0.229 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.328 5.591 0.282 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.304 6.186 -1.046 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.629 3.553 -0.923 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.198 4.033 -1.540 1.00 0.00 H new ATOM 174 N LYS A 15 1.592 3.686 2.725 1.00 0.00 N ATOM 175 CA LYS A 15 0.698 3.455 3.880 1.00 0.00 C ATOM 176 C LYS A 15 0.981 2.114 4.584 1.00 0.00 C ATOM 177 O LYS A 15 0.495 1.867 5.686 1.00 0.00 O ATOM 178 CB LYS A 15 -0.760 3.570 3.403 1.00 0.00 C ATOM 179 CG LYS A 15 -1.730 4.042 4.502 1.00 0.00 C ATOM 180 CD LYS A 15 -3.233 3.899 4.192 1.00 0.00 C ATOM 181 CE LYS A 15 -3.657 4.418 2.810 1.00 0.00 C ATOM 182 NZ LYS A 15 -3.740 3.370 1.767 1.00 0.00 N ATOM 0 H LYS A 15 1.233 3.276 1.863 1.00 0.00 H new ATOM 0 HA LYS A 15 0.888 4.217 4.636 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.806 4.266 2.565 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.090 2.600 3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.514 3.483 5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.523 5.091 4.714 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.507 2.847 4.269 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.800 4.433 4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.629 4.904 2.899 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.948 5.180 2.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.762 3.816 0.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.911 2.746 1.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.606 2.811 1.905 1.00 0.00 H new ATOM 196 N CYS A 16 1.776 1.245 3.949 1.00 0.00 N ATOM 197 CA CYS A 16 2.119 -0.084 4.459 1.00 0.00 C ATOM 198 C CYS A 16 3.077 -0.029 5.669 1.00 0.00 C ATOM 199 O CYS A 16 3.078 -0.942 6.499 1.00 0.00 O ATOM 200 CB CYS A 16 2.682 -0.912 3.290 1.00 0.00 C ATOM 201 SG CYS A 16 2.765 -2.703 3.581 1.00 0.00 S ATOM 0 H CYS A 16 2.207 1.452 3.048 1.00 0.00 H new ATOM 0 HA CYS A 16 1.222 -0.568 4.846 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.067 -0.731 2.408 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.684 -0.551 3.059 1.00 0.00 H new ATOM 206 N ARG A 17 3.892 1.033 5.770 1.00 0.00 N ATOM 207 CA ARG A 17 4.789 1.391 6.883 1.00 0.00 C ATOM 208 C ARG A 17 5.272 2.839 6.757 1.00 0.00 C ATOM 209 O ARG A 17 5.172 3.428 5.681 1.00 0.00 O ATOM 210 CB ARG A 17 6.001 0.454 6.902 1.00 0.00 C ATOM 211 CG ARG A 17 6.846 0.543 5.623 1.00 0.00 C ATOM 212 CD ARG A 17 7.953 -0.501 5.558 1.00 0.00 C ATOM 213 NE ARG A 17 7.435 -1.871 5.379 1.00 0.00 N ATOM 214 CZ ARG A 17 8.061 -2.913 4.869 1.00 0.00 C ATOM 215 NH1 ARG A 17 9.248 -2.853 4.339 1.00 0.00 N ATOM 216 NH2 ARG A 17 7.501 -4.082 4.871 1.00 0.00 N ATOM 0 H ARG A 17 3.946 1.718 5.017 1.00 0.00 H new ATOM 0 HA ARG A 17 4.228 1.289 7.812 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.626 0.695 7.762 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.658 -0.572 7.034 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.195 0.426 4.757 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.289 1.537 5.557 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.625 -0.261 4.734 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.543 -0.457 6.474 1.00 0.00 H new ATOM 0 HE ARG A 17 6.476 -2.031 5.687 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.746 -1.963 4.302 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.681 -3.696 3.960 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.569 -4.201 5.269 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.992 -4.883 4.474 1.00 0.00 H new ATOM 230 N ALA A 18 5.878 3.370 7.815 1.00 0.00 N ATOM 231 CA ALA A 18 6.292 4.769 7.925 1.00 0.00 C ATOM 232 C ALA A 18 7.243 5.260 6.812 1.00 0.00 C ATOM 233 O ALA A 18 6.936 6.262 6.162 1.00 0.00 O ATOM 234 CB ALA A 18 6.913 4.955 9.308 1.00 0.00 C ATOM 0 H ALA A 18 6.102 2.823 8.646 1.00 0.00 H new ATOM 0 HA ALA A 18 5.405 5.389 7.794 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.235 5.990 9.426 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.175 4.714 10.073 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.773 4.294 9.413 1.00 0.00 H new ATOM 240 N GLN A 19 8.341 4.542 6.535 1.00 0.00 N ATOM 241 CA GLN A 19 9.271 4.872 5.433 1.00 0.00 C ATOM 242 C GLN A 19 8.800 4.369 4.056 1.00 0.00 C ATOM 243 O GLN A 19 9.492 4.563 3.052 1.00 0.00 O ATOM 244 CB GLN A 19 10.722 4.445 5.744 1.00 0.00 C ATOM 245 CG GLN A 19 11.073 2.958 5.527 1.00 0.00 C ATOM 246 CD GLN A 19 12.580 2.720 5.625 1.00 0.00 C ATOM 247 OE1 GLN A 19 13.280 2.504 4.640 1.00 0.00 O ATOM 248 NE2 GLN A 19 13.155 2.760 6.805 1.00 0.00 N ATOM 0 H GLN A 19 8.614 3.715 7.066 1.00 0.00 H new ATOM 0 HA GLN A 19 9.264 5.960 5.364 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.392 5.045 5.128 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.934 4.696 6.783 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.558 2.349 6.270 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.715 2.637 4.549 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.596 2.938 7.639 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.161 2.613 6.887 1.00 0.00 H new ATOM 257 N GLY A 20 7.633 3.724 4.013 1.00 0.00 N ATOM 258 CA GLY A 20 7.047 3.086 2.843 1.00 0.00 C ATOM 259 C GLY A 20 7.710 1.780 2.403 1.00 0.00 C ATOM 260 O GLY A 20 8.820 1.420 2.797 1.00 0.00 O ATOM 0 H GLY A 20 7.043 3.630 4.840 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.995 2.888 3.048 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.083 3.789 2.011 1.00 0.00 H new ATOM 264 N CYS A 21 6.958 1.038 1.598 1.00 0.00 N ATOM 265 CA CYS A 21 7.387 -0.145 0.854 1.00 0.00 C ATOM 266 C CYS A 21 7.807 0.242 -0.573 1.00 0.00 C ATOM 267 O CYS A 21 7.400 1.284 -1.089 1.00 0.00 O ATOM 268 CB CYS A 21 6.194 -1.104 0.831 1.00 0.00 C ATOM 269 SG CYS A 21 6.340 -2.628 -0.125 1.00 0.00 S ATOM 0 H CYS A 21 5.975 1.257 1.436 1.00 0.00 H new ATOM 0 HA CYS A 21 8.251 -0.615 1.324 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.968 -1.378 1.861 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.333 -0.554 0.451 1.00 0.00 H new ATOM 274 N LYS A 22 8.556 -0.642 -1.236 1.00 0.00 N ATOM 275 CA LYS A 22 9.007 -0.469 -2.629 1.00 0.00 C ATOM 276 C LYS A 22 7.840 -0.317 -3.616 1.00 0.00 C ATOM 277 O LYS A 22 7.785 0.650 -4.378 1.00 0.00 O ATOM 278 CB LYS A 22 9.902 -1.646 -3.055 1.00 0.00 C ATOM 279 CG LYS A 22 11.143 -1.843 -2.170 1.00 0.00 C ATOM 280 CD LYS A 22 12.053 -2.919 -2.773 1.00 0.00 C ATOM 281 CE LYS A 22 13.293 -3.168 -1.907 1.00 0.00 C ATOM 282 NZ LYS A 22 13.052 -4.234 -0.907 1.00 0.00 N ATOM 0 H LYS A 22 8.875 -1.516 -0.817 1.00 0.00 H new ATOM 0 HA LYS A 22 9.580 0.458 -2.659 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.311 -2.562 -3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.224 -1.489 -4.084 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.688 -0.903 -2.080 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.840 -2.134 -1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.494 -3.848 -2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.363 -2.614 -3.772 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.132 -3.448 -2.544 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.573 -2.246 -1.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.031 -3.818 0.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.141 -4.695 -1.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.815 -4.939 -0.960 1.00 0.00 H new ATOM 296 N ASN A 23 6.896 -1.262 -3.594 1.00 0.00 N ATOM 297 CA ASN A 23 5.705 -1.277 -4.451 1.00 0.00 C ATOM 298 C ASN A 23 4.621 -2.217 -3.877 1.00 0.00 C ATOM 299 O ASN A 23 4.885 -3.019 -2.977 1.00 0.00 O ATOM 300 CB ASN A 23 6.124 -1.709 -5.870 1.00 0.00 C ATOM 301 CG ASN A 23 5.111 -1.390 -6.957 1.00 0.00 C ATOM 302 OD1 ASN A 23 4.115 -0.708 -6.747 1.00 0.00 O ATOM 303 ND2 ASN A 23 5.349 -1.896 -8.139 1.00 0.00 N ATOM 0 H ASN A 23 6.940 -2.061 -2.962 1.00 0.00 H new ATOM 0 HA ASN A 23 5.271 -0.278 -4.491 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.068 -1.224 -6.119 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.308 -2.783 -5.868 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.700 -1.726 -8.907 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.184 -2.461 -8.293 1.00 0.00 H new ATOM 310 N GLY A 24 3.406 -2.139 -4.414 1.00 0.00 N ATOM 311 CA GLY A 24 2.256 -2.956 -4.029 1.00 0.00 C ATOM 312 C GLY A 24 1.092 -2.829 -5.012 1.00 0.00 C ATOM 313 O GLY A 24 1.260 -2.303 -6.117 1.00 0.00 O ATOM 0 H GLY A 24 3.186 -1.478 -5.159 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.561 -4.000 -3.966 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.921 -2.661 -3.035 1.00 0.00 H new ATOM 317 N LYS A 25 -0.088 -3.305 -4.594 1.00 0.00 N ATOM 318 CA LYS A 25 -1.354 -3.173 -5.337 1.00 0.00 C ATOM 319 C LYS A 25 -2.583 -3.080 -4.426 1.00 0.00 C ATOM 320 O LYS A 25 -2.500 -3.416 -3.243 1.00 0.00 O ATOM 321 CB LYS A 25 -1.498 -4.340 -6.334 1.00 0.00 C ATOM 322 CG LYS A 25 -1.892 -3.801 -7.715 1.00 0.00 C ATOM 323 CD LYS A 25 -2.317 -4.897 -8.694 1.00 0.00 C ATOM 324 CE LYS A 25 -2.615 -4.233 -10.044 1.00 0.00 C ATOM 325 NZ LYS A 25 -3.242 -5.171 -10.999 1.00 0.00 N ATOM 0 H LYS A 25 -0.194 -3.804 -3.711 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.310 -2.229 -5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.559 -4.889 -6.403 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.253 -5.042 -5.979 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.710 -3.089 -7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.050 -3.253 -8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.527 -5.641 -8.801 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.199 -5.419 -8.323 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.274 -3.379 -9.890 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.689 -3.848 -10.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.426 -4.680 -11.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.603 -5.974 -11.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.139 -5.520 -10.605 1.00 0.00 H new ATOM 339 N CYS A 26 -3.731 -2.681 -4.983 1.00 0.00 N ATOM 340 CA CYS A 26 -5.021 -2.619 -4.289 1.00 0.00 C ATOM 341 C CYS A 26 -6.131 -3.418 -5.002 1.00 0.00 C ATOM 342 O CYS A 26 -6.603 -3.043 -6.077 1.00 0.00 O ATOM 343 CB CYS A 26 -5.408 -1.151 -4.116 1.00 0.00 C ATOM 344 SG CYS A 26 -7.090 -0.921 -3.495 1.00 0.00 S ATOM 0 H CYS A 26 -3.790 -2.384 -5.957 1.00 0.00 H new ATOM 0 HA CYS A 26 -4.911 -3.094 -3.314 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.707 -0.677 -3.429 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -5.310 -0.641 -5.075 1.00 0.00 H new ATOM 349 N MET A 27 -6.607 -4.500 -4.374 1.00 0.00 N ATOM 350 CA MET A 27 -7.496 -5.482 -5.026 1.00 0.00 C ATOM 351 C MET A 27 -8.996 -5.126 -4.964 1.00 0.00 C ATOM 352 O MET A 27 -9.787 -5.618 -5.774 1.00 0.00 O ATOM 353 CB MET A 27 -7.229 -6.885 -4.460 1.00 0.00 C ATOM 354 CG MET A 27 -5.754 -7.316 -4.487 1.00 0.00 C ATOM 355 SD MET A 27 -4.930 -7.171 -6.101 1.00 0.00 S ATOM 356 CE MET A 27 -3.322 -7.914 -5.703 1.00 0.00 C ATOM 0 H MET A 27 -6.390 -4.723 -3.403 1.00 0.00 H new ATOM 0 HA MET A 27 -7.251 -5.460 -6.088 1.00 0.00 H new ATOM 0 HB2 MET A 27 -7.586 -6.921 -3.431 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.816 -7.608 -5.026 1.00 0.00 H new ATOM 0 HG2 MET A 27 -5.204 -6.716 -3.762 1.00 0.00 H new ATOM 0 HG3 MET A 27 -5.690 -8.353 -4.157 1.00 0.00 H new ATOM 0 HE1 MET A 27 -2.688 -7.905 -6.589 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.843 -7.341 -4.909 1.00 0.00 H new ATOM 0 HE3 MET A 27 -3.468 -8.942 -5.372 1.00 0.00 H new ATOM 366 N ASN A 28 -9.397 -4.276 -4.013 1.00 0.00 N ATOM 367 CA ASN A 28 -10.722 -3.637 -3.926 1.00 0.00 C ATOM 368 C ASN A 28 -10.630 -2.346 -3.087 1.00 0.00 C ATOM 369 O ASN A 28 -10.479 -1.261 -3.644 1.00 0.00 O ATOM 370 CB ASN A 28 -11.826 -4.619 -3.453 1.00 0.00 C ATOM 371 CG ASN A 28 -11.654 -5.259 -2.081 1.00 0.00 C ATOM 372 OD1 ASN A 28 -10.580 -5.269 -1.488 1.00 0.00 O ATOM 373 ND2 ASN A 28 -12.724 -5.739 -1.502 1.00 0.00 N ATOM 0 H ASN A 28 -8.782 -4.000 -3.247 1.00 0.00 H new ATOM 0 HA ASN A 28 -11.036 -3.346 -4.928 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -12.776 -4.085 -3.459 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.904 -5.418 -4.190 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.665 -6.121 -0.558 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -13.617 -5.731 -1.994 1.00 0.00 H new ATOM 380 N ARG A 29 -10.636 -2.463 -1.751 1.00 0.00 N ATOM 381 CA ARG A 29 -10.328 -1.414 -0.769 1.00 0.00 C ATOM 382 C ARG A 29 -9.191 -1.813 0.181 1.00 0.00 C ATOM 383 O ARG A 29 -8.874 -1.037 1.078 1.00 0.00 O ATOM 384 CB ARG A 29 -11.592 -0.990 0.004 1.00 0.00 C ATOM 385 CG ARG A 29 -12.219 -2.110 0.858 1.00 0.00 C ATOM 386 CD ARG A 29 -12.873 -1.536 2.121 1.00 0.00 C ATOM 387 NE ARG A 29 -11.876 -1.184 3.151 1.00 0.00 N ATOM 388 CZ ARG A 29 -11.390 -1.966 4.102 1.00 0.00 C ATOM 389 NH1 ARG A 29 -11.762 -3.204 4.256 1.00 0.00 N ATOM 390 NH2 ARG A 29 -10.503 -1.518 4.940 1.00 0.00 N ATOM 0 H ARG A 29 -10.871 -3.347 -1.300 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.971 -0.550 -1.329 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.342 -0.151 0.653 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.336 -0.632 -0.708 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.964 -2.647 0.270 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.452 -2.832 1.137 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -13.451 -0.650 1.859 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.574 -2.264 2.529 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.521 -0.228 3.127 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.456 -3.610 3.629 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.359 -3.768 5.004 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.175 -0.555 4.869 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.135 -2.130 5.669 1.00 0.00 H new ATOM 404 N LYS A 30 -8.562 -2.977 -0.030 1.00 0.00 N ATOM 405 CA LYS A 30 -7.421 -3.507 0.743 1.00 0.00 C ATOM 406 C LYS A 30 -6.153 -3.645 -0.114 1.00 0.00 C ATOM 407 O LYS A 30 -6.236 -3.703 -1.342 1.00 0.00 O ATOM 408 CB LYS A 30 -7.820 -4.828 1.424 1.00 0.00 C ATOM 409 CG LYS A 30 -8.887 -4.589 2.509 1.00 0.00 C ATOM 410 CD LYS A 30 -9.271 -5.859 3.276 1.00 0.00 C ATOM 411 CE LYS A 30 -9.966 -6.887 2.375 1.00 0.00 C ATOM 412 NZ LYS A 30 -10.420 -8.056 3.160 1.00 0.00 N ATOM 0 H LYS A 30 -8.845 -3.608 -0.779 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.169 -2.788 1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.204 -5.524 0.678 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.940 -5.292 1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.517 -3.845 3.215 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.780 -4.170 2.044 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.376 -6.304 3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.931 -5.597 4.103 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.819 -6.424 1.879 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.281 -7.213 1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.887 -8.738 2.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.601 -8.509 3.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.091 -7.744 3.890 1.00 0.00 H new ATOM 426 N CYS A 31 -4.993 -3.642 0.544 1.00 0.00 N ATOM 427 CA CYS A 31 -3.653 -3.536 -0.048 1.00 0.00 C ATOM 428 C CYS A 31 -2.859 -4.850 0.030 1.00 0.00 C ATOM 429 O CYS A 31 -3.170 -5.737 0.827 1.00 0.00 O ATOM 430 CB CYS A 31 -2.981 -2.337 0.657 1.00 0.00 C ATOM 431 SG CYS A 31 -1.179 -2.205 0.872 1.00 0.00 S ATOM 0 H CYS A 31 -4.958 -3.718 1.561 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.699 -3.358 -1.122 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.296 -1.443 0.118 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.418 -2.278 1.654 1.00 0.00 H new ATOM 436 N LYS A 32 -1.832 -4.962 -0.820 1.00 0.00 N ATOM 437 CA LYS A 32 -0.826 -6.034 -0.846 1.00 0.00 C ATOM 438 C LYS A 32 0.564 -5.449 -1.123 1.00 0.00 C ATOM 439 O LYS A 32 0.763 -4.819 -2.161 1.00 0.00 O ATOM 440 CB LYS A 32 -1.204 -7.051 -1.937 1.00 0.00 C ATOM 441 CG LYS A 32 -2.431 -7.926 -1.625 1.00 0.00 C ATOM 442 CD LYS A 32 -2.299 -8.809 -0.374 1.00 0.00 C ATOM 443 CE LYS A 32 -1.150 -9.816 -0.480 1.00 0.00 C ATOM 444 NZ LYS A 32 -1.157 -10.765 0.656 1.00 0.00 N ATOM 0 H LYS A 32 -1.670 -4.268 -1.550 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.800 -6.533 0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.390 -6.511 -2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.349 -7.703 -2.114 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.299 -7.278 -1.504 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.629 -8.567 -2.484 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.142 -8.175 0.498 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.234 -9.346 -0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.232 -10.367 -1.417 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.199 -9.284 -0.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.367 -11.434 0.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.054 -10.240 1.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.055 -11.289 0.665 1.00 0.00 H new ATOM 458 N CYS A 33 1.521 -5.652 -0.218 1.00 0.00 N ATOM 459 CA CYS A 33 2.871 -5.071 -0.285 1.00 0.00 C ATOM 460 C CYS A 33 3.851 -6.092 -0.909 1.00 0.00 C ATOM 461 O CYS A 33 4.182 -7.114 -0.299 1.00 0.00 O ATOM 462 CB CYS A 33 3.256 -4.561 1.116 1.00 0.00 C ATOM 463 SG CYS A 33 1.975 -3.517 1.884 1.00 0.00 S ATOM 0 H CYS A 33 1.380 -6.239 0.604 1.00 0.00 H new ATOM 0 HA CYS A 33 2.912 -4.205 -0.945 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.454 -5.415 1.764 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.183 -3.992 1.045 1.00 0.00 H new ATOM 468 N TYR A 34 4.314 -5.835 -2.137 1.00 0.00 N ATOM 469 CA TYR A 34 4.976 -6.839 -2.989 1.00 0.00 C ATOM 470 C TYR A 34 6.371 -7.346 -2.583 1.00 0.00 C ATOM 471 O TYR A 34 6.568 -8.563 -2.568 1.00 0.00 O ATOM 472 CB TYR A 34 5.101 -6.305 -4.425 1.00 0.00 C ATOM 473 CG TYR A 34 3.865 -6.132 -5.289 1.00 0.00 C ATOM 474 CD1 TYR A 34 2.751 -6.995 -5.198 1.00 0.00 C ATOM 475 CD2 TYR A 34 3.920 -5.177 -6.321 1.00 0.00 C ATOM 476 CE1 TYR A 34 1.736 -6.936 -6.171 1.00 0.00 C ATOM 477 CE2 TYR A 34 2.897 -5.098 -7.279 1.00 0.00 C ATOM 478 CZ TYR A 34 1.821 -6.001 -7.227 1.00 0.00 C ATOM 479 OH TYR A 34 0.881 -5.992 -8.202 1.00 0.00 O ATOM 0 H TYR A 34 4.241 -4.917 -2.575 1.00 0.00 H new ATOM 0 HA TYR A 34 4.314 -7.698 -2.876 1.00 0.00 H new ATOM 0 HB2 TYR A 34 5.592 -5.334 -4.366 1.00 0.00 H new ATOM 0 HB3 TYR A 34 5.777 -6.972 -4.959 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.678 -7.699 -4.383 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.758 -4.498 -6.377 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.891 -7.606 -6.111 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.937 -4.346 -8.053 1.00 0.00 H new ATOM 0 HH TYR A 34 1.088 -5.287 -8.850 1.00 0.00 H new ATOM 489 N TYR A 35 7.338 -6.455 -2.325 1.00 0.00 N ATOM 490 CA TYR A 35 8.775 -6.810 -2.228 1.00 0.00 C ATOM 491 C TYR A 35 9.518 -6.182 -1.030 1.00 0.00 C ATOM 492 O TYR A 35 10.624 -5.655 -1.173 1.00 0.00 O ATOM 493 CB TYR A 35 9.472 -6.449 -3.558 1.00 0.00 C ATOM 494 CG TYR A 35 8.769 -6.908 -4.823 1.00 0.00 C ATOM 495 CD1 TYR A 35 8.576 -8.281 -5.068 1.00 0.00 C ATOM 496 CD2 TYR A 35 8.310 -5.959 -5.761 1.00 0.00 C ATOM 497 CE1 TYR A 35 7.912 -8.709 -6.234 1.00 0.00 C ATOM 498 CE2 TYR A 35 7.634 -6.382 -6.922 1.00 0.00 C ATOM 499 CZ TYR A 35 7.433 -7.758 -7.163 1.00 0.00 C ATOM 500 OH TYR A 35 6.765 -8.164 -8.277 1.00 0.00 O ATOM 0 H TYR A 35 7.153 -5.463 -2.176 1.00 0.00 H new ATOM 0 HA TYR A 35 8.819 -7.884 -2.045 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.587 -5.366 -3.603 1.00 0.00 H new ATOM 0 HB3 TYR A 35 10.475 -6.876 -3.548 1.00 0.00 H new ATOM 0 HD1 TYR A 35 8.939 -9.010 -4.358 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.477 -4.906 -5.588 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.769 -9.764 -6.418 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.269 -5.652 -7.629 1.00 0.00 H new ATOM 0 HH TYR A 35 6.505 -7.381 -8.806 1.00 0.00 H new ATOM 510 N CYS A 36 8.882 -6.125 0.141 1.00 0.00 N ATOM 511 CA CYS A 36 9.357 -5.369 1.293 1.00 0.00 C ATOM 512 C CYS A 36 8.963 -5.979 2.654 1.00 0.00 C ATOM 513 O CYS A 36 9.591 -5.609 3.680 1.00 0.00 O ATOM 514 CB CYS A 36 8.765 -3.981 1.071 1.00 0.00 C ATOM 515 SG CYS A 36 6.964 -3.967 1.252 1.00 0.00 S ATOM 516 OXT CYS A 36 7.995 -6.773 2.707 1.00 0.00 O ATOM 0 H CYS A 36 8.004 -6.615 0.315 1.00 0.00 H new ATOM 0 HA CYS A 36 10.445 -5.364 1.353 1.00 0.00 H new ATOM 0 HB2 CYS A 36 9.205 -3.282 1.783 1.00 0.00 H new ATOM 0 HB3 CYS A 36 9.031 -3.630 0.074 1.00 0.00 H new TER 521 CYS A 36