USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 473 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+ -118:sc= 0.0898 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 10 CYS SG : rot 82:sc= -2.33! USER MOD Single : A 18 LYS NZ :NH3+ -166:sc= 0.989 (180deg=0.834) USER MOD Single : A 25 SER OG : rot 170:sc= -1.1 USER MOD Single : A 38 THR OG1 : rot -170:sc= -0.274 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 143:sc= -1.48 USER MOD Single : A 75 SER OG : rot -63:sc= 1.23 USER MOD Single : A 92 SER OG : rot 160:sc= -3.09! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.838 13.412 -3.602 1.00 0.00 N ATOM 2 CA ALA A 1 -11.537 12.825 -4.933 1.00 0.00 C ATOM 3 C ALA A 1 -11.800 11.323 -4.941 1.00 0.00 C ATOM 4 O ALA A 1 -11.959 10.704 -3.888 1.00 0.00 O ATOM 5 CB ALA A 1 -10.094 13.112 -5.321 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.604 14.109 -3.695 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.133 12.658 -2.949 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.988 13.880 -3.229 1.00 0.00 H new ATOM 0 HA ALA A 1 -12.198 13.288 -5.666 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.887 12.676 -6.298 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.936 14.190 -5.363 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.424 12.676 -4.580 1.00 0.00 H new ATOM 13 N VAL A 2 -11.850 10.743 -6.135 1.00 0.00 N ATOM 14 CA VAL A 2 -12.098 9.315 -6.285 1.00 0.00 C ATOM 15 C VAL A 2 -10.884 8.490 -5.874 1.00 0.00 C ATOM 16 O VAL A 2 -9.774 9.008 -5.758 1.00 0.00 O ATOM 17 CB VAL A 2 -12.460 8.954 -7.741 1.00 0.00 C ATOM 18 CG1 VAL A 2 -13.735 9.661 -8.172 1.00 0.00 C ATOM 19 CG2 VAL A 2 -11.309 9.293 -8.680 1.00 0.00 C ATOM 0 H VAL A 2 -11.722 11.242 -7.015 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.937 9.080 -5.630 1.00 0.00 H new ATOM 0 HB VAL A 2 -12.636 7.880 -7.792 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -13.970 9.391 -9.202 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.556 9.360 -7.521 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -13.594 10.740 -8.103 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -11.584 9.031 -9.702 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -11.096 10.360 -8.624 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.423 8.730 -8.387 1.00 0.00 H new ATOM 29 N LEU A 3 -11.111 7.199 -5.658 1.00 0.00 N ATOM 30 CA LEU A 3 -10.076 6.286 -5.268 1.00 0.00 C ATOM 31 C LEU A 3 -9.080 6.077 -6.376 1.00 0.00 C ATOM 32 O LEU A 3 -9.315 6.448 -7.526 1.00 0.00 O ATOM 33 CB LEU A 3 -10.698 4.928 -4.934 1.00 0.00 C ATOM 34 CG LEU A 3 -10.878 4.644 -3.449 1.00 0.00 C ATOM 35 CD1 LEU A 3 -9.837 5.399 -2.668 1.00 0.00 C ATOM 36 CD2 LEU A 3 -12.275 5.035 -2.991 1.00 0.00 C ATOM 0 H LEU A 3 -12.030 6.767 -5.753 1.00 0.00 H new ATOM 0 HA LEU A 3 -9.566 6.712 -4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.671 4.863 -5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.074 4.145 -5.364 1.00 0.00 H new ATOM 0 HG LEU A 3 -10.756 3.575 -3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.963 5.198 -1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.843 5.079 -2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.949 6.468 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.382 4.824 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -12.431 6.099 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -13.015 4.463 -3.551 1.00 0.00 H new ATOM 48 N ASP A 4 -7.978 5.441 -6.029 1.00 0.00 N ATOM 49 CA ASP A 4 -6.975 5.146 -6.996 1.00 0.00 C ATOM 50 C ASP A 4 -7.495 3.982 -7.849 1.00 0.00 C ATOM 51 O ASP A 4 -8.657 3.991 -8.256 1.00 0.00 O ATOM 52 CB ASP A 4 -5.654 4.801 -6.308 1.00 0.00 C ATOM 53 CG ASP A 4 -4.456 5.024 -7.209 1.00 0.00 C ATOM 54 OD1 ASP A 4 -4.431 6.049 -7.922 1.00 0.00 O ATOM 55 OD2 ASP A 4 -3.542 4.173 -7.201 1.00 0.00 O ATOM 0 H ASP A 4 -7.768 5.125 -5.082 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.776 6.009 -7.632 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.547 5.408 -5.409 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.676 3.759 -5.988 1.00 0.00 H new ATOM 60 N LEU A 5 -6.668 2.981 -8.108 1.00 0.00 N ATOM 61 CA LEU A 5 -7.081 1.839 -8.884 1.00 0.00 C ATOM 62 C LEU A 5 -7.640 0.727 -7.979 1.00 0.00 C ATOM 63 O LEU A 5 -8.537 0.979 -7.175 1.00 0.00 O ATOM 64 CB LEU A 5 -5.895 1.377 -9.722 1.00 0.00 C ATOM 65 CG LEU A 5 -4.568 1.267 -8.969 1.00 0.00 C ATOM 66 CD1 LEU A 5 -4.305 -0.156 -8.571 1.00 0.00 C ATOM 67 CD2 LEU A 5 -3.423 1.810 -9.811 1.00 0.00 C ATOM 0 H LEU A 5 -5.701 2.944 -7.786 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.897 2.110 -9.554 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.132 0.404 -10.152 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -5.766 2.070 -10.553 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.638 1.870 -8.063 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.357 -0.215 -8.037 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.109 -0.507 -7.924 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.258 -0.781 -9.463 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.489 1.722 -9.256 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.350 1.239 -10.737 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.608 2.858 -10.045 1.00 0.00 H new ATOM 79 N ASP A 6 -7.099 -0.491 -8.085 1.00 0.00 N ATOM 80 CA ASP A 6 -7.539 -1.591 -7.254 1.00 0.00 C ATOM 81 C ASP A 6 -7.013 -1.353 -5.860 1.00 0.00 C ATOM 82 O ASP A 6 -7.763 -1.301 -4.885 1.00 0.00 O ATOM 83 CB ASP A 6 -7.018 -2.922 -7.802 1.00 0.00 C ATOM 84 CG ASP A 6 -8.022 -4.048 -7.653 1.00 0.00 C ATOM 85 OD1 ASP A 6 -9.141 -3.919 -8.191 1.00 0.00 O ATOM 86 OD2 ASP A 6 -7.688 -5.058 -6.999 1.00 0.00 O ATOM 0 H ASP A 6 -6.356 -0.729 -8.742 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.628 -1.644 -7.245 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.765 -2.803 -8.856 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.098 -3.189 -7.282 1.00 0.00 H new ATOM 91 N VAL A 7 -5.719 -1.133 -5.803 1.00 0.00 N ATOM 92 CA VAL A 7 -5.056 -0.807 -4.573 1.00 0.00 C ATOM 93 C VAL A 7 -5.165 0.694 -4.382 1.00 0.00 C ATOM 94 O VAL A 7 -4.305 1.461 -4.813 1.00 0.00 O ATOM 95 CB VAL A 7 -3.581 -1.238 -4.580 1.00 0.00 C ATOM 96 CG1 VAL A 7 -3.477 -2.746 -4.433 1.00 0.00 C ATOM 97 CG2 VAL A 7 -2.881 -0.781 -5.852 1.00 0.00 C ATOM 0 H VAL A 7 -5.101 -1.177 -6.613 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.531 -1.344 -3.752 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.084 -0.763 -3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.428 -3.041 -4.439 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.934 -3.052 -3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.994 -3.229 -5.262 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.839 -1.100 -5.829 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.376 -1.221 -6.718 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.926 0.306 -5.922 1.00 0.00 H new ATOM 107 N ARG A 8 -6.279 1.102 -3.808 1.00 0.00 N ATOM 108 CA ARG A 8 -6.594 2.480 -3.631 1.00 0.00 C ATOM 109 C ARG A 8 -5.833 3.153 -2.501 1.00 0.00 C ATOM 110 O ARG A 8 -5.891 2.742 -1.342 1.00 0.00 O ATOM 111 CB ARG A 8 -8.092 2.563 -3.419 1.00 0.00 C ATOM 112 CG ARG A 8 -8.870 1.917 -4.547 1.00 0.00 C ATOM 113 CD ARG A 8 -10.171 1.337 -4.050 1.00 0.00 C ATOM 114 NE ARG A 8 -11.044 0.933 -5.152 1.00 0.00 N ATOM 115 CZ ARG A 8 -11.117 -0.305 -5.640 1.00 0.00 C ATOM 116 NH1 ARG A 8 -10.401 -1.288 -5.108 1.00 0.00 N ATOM 117 NH2 ARG A 8 -11.915 -0.559 -6.668 1.00 0.00 N ATOM 0 H ARG A 8 -6.992 0.466 -3.451 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.282 3.029 -4.519 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.351 2.078 -2.478 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.387 3.609 -3.330 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.071 2.655 -5.323 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.269 1.130 -5.003 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -9.965 0.475 -3.415 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.684 2.073 -3.432 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.637 1.647 -5.575 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.786 -1.100 -4.316 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.466 -2.231 -5.491 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.469 0.191 -7.081 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.975 -1.505 -7.046 1.00 0.00 H new ATOM 131 N THR A 9 -5.147 4.222 -2.877 1.00 0.00 N ATOM 132 CA THR A 9 -4.386 5.032 -1.958 1.00 0.00 C ATOM 133 C THR A 9 -5.340 5.886 -1.148 1.00 0.00 C ATOM 134 O THR A 9 -6.484 5.492 -0.922 1.00 0.00 O ATOM 135 CB THR A 9 -3.370 5.879 -2.729 1.00 0.00 C ATOM 136 OG1 THR A 9 -3.522 5.711 -4.129 1.00 0.00 O ATOM 137 CG2 THR A 9 -1.941 5.538 -2.376 1.00 0.00 C ATOM 0 H THR A 9 -5.107 4.549 -3.842 1.00 0.00 H new ATOM 0 HA THR A 9 -3.825 4.401 -1.269 1.00 0.00 H new ATOM 0 HB THR A 9 -3.571 6.911 -2.442 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.863 6.264 -4.598 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.264 6.169 -2.952 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.779 5.708 -1.312 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.749 4.491 -2.609 1.00 0.00 H new ATOM 145 N CYS A 10 -4.888 7.047 -0.709 1.00 0.00 N ATOM 146 CA CYS A 10 -5.741 7.942 0.077 1.00 0.00 C ATOM 147 C CYS A 10 -5.939 7.416 1.500 1.00 0.00 C ATOM 148 O CYS A 10 -6.384 8.151 2.382 1.00 0.00 O ATOM 149 CB CYS A 10 -7.120 8.115 -0.591 1.00 0.00 C ATOM 150 SG CYS A 10 -7.145 7.850 -2.401 1.00 0.00 S ATOM 0 H CYS A 10 -3.945 7.397 -0.878 1.00 0.00 H new ATOM 0 HA CYS A 10 -5.236 8.907 0.122 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -7.820 7.420 -0.128 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -7.484 9.121 -0.382 1.00 0.00 H new ATOM 0 HG CYS A 10 -7.208 6.576 -2.652 1.00 0.00 H new ATOM 174 N PRO A 12 -3.905 6.167 4.467 1.00 0.00 N ATOM 175 CA PRO A 12 -2.621 5.990 5.136 1.00 0.00 C ATOM 176 C PRO A 12 -2.513 4.659 5.858 1.00 0.00 C ATOM 177 O PRO A 12 -3.503 3.950 6.048 1.00 0.00 O ATOM 178 CB PRO A 12 -2.578 7.129 6.150 1.00 0.00 C ATOM 179 CG PRO A 12 -3.471 8.180 5.606 1.00 0.00 C ATOM 180 CD PRO A 12 -4.515 7.476 4.775 1.00 0.00 C ATOM 0 HA PRO A 12 -1.800 5.999 4.419 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.918 6.794 7.130 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.562 7.504 6.276 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.936 8.747 6.412 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.908 8.890 5.000 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.450 7.361 5.323 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.744 8.033 3.867 1.00 0.00 H new ATOM 188 N CYS A 13 -1.299 4.346 6.277 1.00 0.00 N ATOM 189 CA CYS A 13 -1.023 3.124 6.986 1.00 0.00 C ATOM 190 C CYS A 13 0.264 3.271 7.785 1.00 0.00 C ATOM 191 O CYS A 13 0.828 4.362 7.865 1.00 0.00 O ATOM 192 CB CYS A 13 -0.925 1.978 6.001 1.00 0.00 C ATOM 193 SG CYS A 13 -1.196 0.323 6.684 1.00 0.00 S ATOM 0 H CYS A 13 -0.481 4.938 6.131 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.834 2.911 7.683 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -1.651 2.145 5.205 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.063 2.003 5.541 1.00 0.00 H new ATOM 198 N GLY A 14 0.740 2.178 8.359 1.00 0.00 N ATOM 199 CA GLY A 14 1.964 2.233 9.120 1.00 0.00 C ATOM 200 C GLY A 14 1.906 3.223 10.263 1.00 0.00 C ATOM 201 O GLY A 14 0.847 3.459 10.844 1.00 0.00 O ATOM 0 H GLY A 14 0.301 1.258 8.311 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.184 1.242 9.516 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.786 2.501 8.456 1.00 0.00 H new ATOM 205 N PRO A 15 3.056 3.802 10.612 1.00 0.00 N ATOM 206 CA PRO A 15 3.180 4.765 11.707 1.00 0.00 C ATOM 207 C PRO A 15 2.768 6.180 11.302 1.00 0.00 C ATOM 208 O PRO A 15 3.606 6.996 10.919 1.00 0.00 O ATOM 209 CB PRO A 15 4.675 4.691 12.005 1.00 0.00 C ATOM 210 CG PRO A 15 5.284 4.484 10.670 1.00 0.00 C ATOM 211 CD PRO A 15 4.355 3.535 9.971 1.00 0.00 C ATOM 0 HA PRO A 15 2.533 4.538 12.554 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.037 5.606 12.474 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.909 3.871 12.684 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.373 5.424 10.125 1.00 0.00 H new ATOM 0 HG3 PRO A 15 6.288 4.067 10.753 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.321 3.723 8.898 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.664 2.498 10.104 1.00 0.00 H new ATOM 219 N GLY A 16 1.469 6.463 11.390 1.00 0.00 N ATOM 220 CA GLY A 16 0.963 7.779 11.029 1.00 0.00 C ATOM 221 C GLY A 16 0.206 7.759 9.715 1.00 0.00 C ATOM 222 O GLY A 16 -1.019 7.865 9.691 1.00 0.00 O ATOM 0 H GLY A 16 0.757 5.804 11.705 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.307 8.144 11.819 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.795 8.479 10.957 1.00 0.00 H new ATOM 226 N GLY A 17 0.942 7.597 8.623 1.00 0.00 N ATOM 227 CA GLY A 17 0.343 7.535 7.311 1.00 0.00 C ATOM 228 C GLY A 17 1.367 7.403 6.213 1.00 0.00 C ATOM 229 O GLY A 17 1.181 7.894 5.100 1.00 0.00 O ATOM 0 H GLY A 17 1.958 7.507 8.628 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.342 6.688 7.268 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.250 8.434 7.143 1.00 0.00 H new ATOM 233 N LYS A 18 2.449 6.737 6.547 1.00 0.00 N ATOM 234 CA LYS A 18 3.538 6.513 5.636 1.00 0.00 C ATOM 235 C LYS A 18 3.181 5.453 4.620 1.00 0.00 C ATOM 236 O LYS A 18 3.558 5.530 3.452 1.00 0.00 O ATOM 237 CB LYS A 18 4.759 6.083 6.437 1.00 0.00 C ATOM 238 CG LYS A 18 5.718 7.202 6.756 1.00 0.00 C ATOM 239 CD LYS A 18 4.981 8.501 6.943 1.00 0.00 C ATOM 240 CE LYS A 18 5.926 9.630 7.314 1.00 0.00 C ATOM 241 NZ LYS A 18 6.441 10.346 6.113 1.00 0.00 N ATOM 0 H LYS A 18 2.595 6.332 7.472 1.00 0.00 H new ATOM 0 HA LYS A 18 3.751 7.434 5.094 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.425 5.629 7.370 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.291 5.312 5.880 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.276 6.962 7.661 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.445 7.304 5.951 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.452 8.755 6.025 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.228 8.384 7.723 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.409 10.337 7.963 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.764 9.229 7.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.250 10.941 6.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.744 9.653 5.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.689 10.945 5.717 1.00 0.00 H new ATOM 255 N GLY A 19 2.461 4.462 5.091 1.00 0.00 N ATOM 256 CA GLY A 19 2.049 3.374 4.251 1.00 0.00 C ATOM 257 C GLY A 19 0.579 3.423 3.873 1.00 0.00 C ATOM 258 O GLY A 19 -0.083 4.457 3.992 1.00 0.00 O ATOM 0 H GLY A 19 2.149 4.392 6.060 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.650 3.380 3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.253 2.433 4.762 1.00 0.00 H new ATOM 262 N ARG A 20 0.090 2.284 3.399 1.00 0.00 N ATOM 263 CA ARG A 20 -1.250 2.116 2.967 1.00 0.00 C ATOM 264 C ARG A 20 -1.827 0.781 3.355 1.00 0.00 C ATOM 265 O ARG A 20 -1.123 -0.217 3.513 1.00 0.00 O ATOM 266 CB ARG A 20 -1.268 2.253 1.477 1.00 0.00 C ATOM 267 CG ARG A 20 -1.400 3.685 1.148 1.00 0.00 C ATOM 268 CD ARG A 20 -0.331 4.170 0.184 1.00 0.00 C ATOM 269 NE ARG A 20 0.916 4.512 0.862 1.00 0.00 N ATOM 270 CZ ARG A 20 2.068 3.871 0.679 1.00 0.00 C ATOM 271 NH1 ARG A 20 2.131 2.788 -0.088 1.00 0.00 N ATOM 272 NH2 ARG A 20 3.163 4.306 1.283 1.00 0.00 N ATOM 0 H ARG A 20 0.651 1.437 3.311 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.865 2.874 3.452 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.353 1.847 1.047 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.098 1.687 1.053 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.383 3.864 0.713 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.347 4.270 2.066 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.137 3.396 -0.559 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.700 5.043 -0.354 1.00 0.00 H new ATOM 0 HE ARG A 20 0.904 5.293 1.518 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.290 2.438 -0.546 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.021 2.307 -0.219 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.121 5.128 1.885 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.049 3.819 1.146 1.00 0.00 H new ATOM 286 N CYS A 21 -3.131 0.789 3.475 1.00 0.00 N ATOM 287 CA CYS A 21 -3.873 -0.420 3.818 1.00 0.00 C ATOM 288 C CYS A 21 -4.280 -1.136 2.541 1.00 0.00 C ATOM 289 O CYS A 21 -4.845 -0.525 1.634 1.00 0.00 O ATOM 290 CB CYS A 21 -5.077 -0.077 4.696 1.00 0.00 C ATOM 291 SG CYS A 21 -6.715 -0.259 3.906 1.00 0.00 S ATOM 0 H CYS A 21 -3.711 1.617 3.342 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.241 -1.093 4.398 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.049 -0.712 5.582 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.972 0.953 5.038 1.00 0.00 H new ATOM 296 N PHE A 22 -3.950 -2.420 2.445 1.00 0.00 N ATOM 297 CA PHE A 22 -4.239 -3.172 1.235 1.00 0.00 C ATOM 298 C PHE A 22 -5.467 -4.076 1.372 1.00 0.00 C ATOM 299 O PHE A 22 -6.598 -3.606 1.253 1.00 0.00 O ATOM 300 CB PHE A 22 -2.996 -3.967 0.824 1.00 0.00 C ATOM 301 CG PHE A 22 -1.838 -3.094 0.442 1.00 0.00 C ATOM 302 CD1 PHE A 22 -1.441 -2.041 1.256 1.00 0.00 C ATOM 303 CD2 PHE A 22 -1.151 -3.319 -0.736 1.00 0.00 C ATOM 304 CE1 PHE A 22 -0.383 -1.235 0.894 1.00 0.00 C ATOM 305 CE2 PHE A 22 -0.090 -2.517 -1.099 1.00 0.00 C ATOM 306 CZ PHE A 22 0.291 -1.472 -0.284 1.00 0.00 C ATOM 0 H PHE A 22 -3.488 -2.954 3.182 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.490 -2.460 0.449 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.698 -4.615 1.648 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.248 -4.614 -0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.966 -1.852 2.181 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.449 -4.133 -1.380 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.083 -0.418 1.533 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.442 -2.707 -2.020 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.118 -0.839 -0.569 1.00 0.00 H new ATOM 316 N GLY A 23 -5.251 -5.376 1.567 1.00 0.00 N ATOM 317 CA GLY A 23 -6.371 -6.297 1.644 1.00 0.00 C ATOM 318 C GLY A 23 -6.605 -6.953 2.999 1.00 0.00 C ATOM 319 O GLY A 23 -7.424 -6.472 3.782 1.00 0.00 O ATOM 0 H GLY A 23 -4.331 -5.803 1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.277 -5.761 1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.221 -7.083 0.903 1.00 0.00 H new ATOM 323 N PRO A 24 -5.953 -8.100 3.279 1.00 0.00 N ATOM 324 CA PRO A 24 -6.160 -8.857 4.512 1.00 0.00 C ATOM 325 C PRO A 24 -5.070 -8.669 5.557 1.00 0.00 C ATOM 326 O PRO A 24 -3.932 -9.089 5.350 1.00 0.00 O ATOM 327 CB PRO A 24 -6.116 -10.278 3.969 1.00 0.00 C ATOM 328 CG PRO A 24 -5.063 -10.235 2.903 1.00 0.00 C ATOM 329 CD PRO A 24 -5.007 -8.808 2.394 1.00 0.00 C ATOM 0 HA PRO A 24 -7.067 -8.558 5.037 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.862 -10.995 4.750 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.082 -10.578 3.562 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -4.096 -10.540 3.303 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.305 -10.924 2.094 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.001 -8.394 2.465 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.306 -8.741 1.348 1.00 0.00 H new ATOM 337 N SER A 25 -5.423 -8.050 6.690 1.00 0.00 N ATOM 338 CA SER A 25 -4.458 -7.828 7.772 1.00 0.00 C ATOM 339 C SER A 25 -3.132 -7.352 7.215 1.00 0.00 C ATOM 340 O SER A 25 -2.087 -7.559 7.822 1.00 0.00 O ATOM 341 CB SER A 25 -4.212 -9.136 8.526 1.00 0.00 C ATOM 342 OG SER A 25 -3.999 -8.899 9.907 1.00 0.00 O ATOM 0 H SER A 25 -6.361 -7.697 6.880 1.00 0.00 H new ATOM 0 HA SER A 25 -4.871 -7.072 8.440 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.066 -9.800 8.396 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.345 -9.645 8.104 1.00 0.00 H new ATOM 0 HG SER A 25 -4.005 -9.752 10.390 1.00 0.00 H new ATOM 348 N ILE A 26 -3.171 -6.773 6.031 1.00 0.00 N ATOM 349 CA ILE A 26 -1.961 -6.360 5.373 1.00 0.00 C ATOM 350 C ILE A 26 -1.813 -4.850 5.237 1.00 0.00 C ATOM 351 O ILE A 26 -2.773 -4.079 5.316 1.00 0.00 O ATOM 352 CB ILE A 26 -1.897 -7.008 3.985 1.00 0.00 C ATOM 353 CG1 ILE A 26 -0.468 -7.246 3.553 1.00 0.00 C ATOM 354 CG2 ILE A 26 -2.573 -6.128 2.982 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.374 -8.153 2.340 1.00 0.00 C ATOM 0 H ILE A 26 -4.028 -6.581 5.512 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.136 -6.690 6.004 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.406 -7.970 4.042 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.004 -6.290 3.326 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.089 -7.689 4.378 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.524 -6.594 1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.616 -5.987 3.266 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.072 -5.160 2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.673 -8.292 2.070 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.820 -9.120 2.573 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.907 -7.699 1.504 1.00 0.00 H new ATOM 367 N CYS A 27 -0.574 -4.473 4.993 1.00 0.00 N ATOM 368 CA CYS A 27 -0.171 -3.095 4.802 1.00 0.00 C ATOM 369 C CYS A 27 1.146 -3.072 4.064 1.00 0.00 C ATOM 370 O CYS A 27 1.881 -4.057 4.065 1.00 0.00 O ATOM 371 CB CYS A 27 0.004 -2.395 6.127 1.00 0.00 C ATOM 372 SG CYS A 27 0.443 -0.644 6.000 1.00 0.00 S ATOM 0 H CYS A 27 0.200 -5.134 4.920 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.945 -2.580 4.233 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.922 -2.484 6.695 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.778 -2.910 6.696 1.00 0.00 H new ATOM 377 N CYS A 28 1.446 -1.956 3.454 1.00 0.00 N ATOM 378 CA CYS A 28 2.678 -1.822 2.715 1.00 0.00 C ATOM 379 C CYS A 28 3.152 -0.374 2.622 1.00 0.00 C ATOM 380 O CYS A 28 2.586 0.414 1.863 1.00 0.00 O ATOM 381 CB CYS A 28 2.473 -2.394 1.321 1.00 0.00 C ATOM 382 SG CYS A 28 3.714 -3.614 0.787 1.00 0.00 S ATOM 0 H CYS A 28 0.855 -1.125 3.453 1.00 0.00 H new ATOM 0 HA CYS A 28 3.454 -2.371 3.248 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.489 -2.860 1.279 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.466 -1.571 0.606 1.00 0.00 H new ATOM 387 N GLY A 29 4.192 -0.020 3.369 1.00 0.00 N ATOM 388 CA GLY A 29 4.709 1.294 3.299 1.00 0.00 C ATOM 389 C GLY A 29 5.897 1.342 2.353 1.00 0.00 C ATOM 390 O GLY A 29 6.861 0.607 2.554 1.00 0.00 O ATOM 0 H GLY A 29 4.675 -0.639 4.020 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.934 1.979 2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.012 1.627 4.292 1.00 0.00 H new ATOM 394 N ASP A 30 5.853 2.177 1.315 1.00 0.00 N ATOM 395 CA ASP A 30 6.967 2.255 0.371 1.00 0.00 C ATOM 396 C ASP A 30 8.212 2.641 1.148 1.00 0.00 C ATOM 397 O ASP A 30 9.174 1.877 1.229 1.00 0.00 O ATOM 398 CB ASP A 30 6.684 3.300 -0.712 1.00 0.00 C ATOM 399 CG ASP A 30 7.666 3.221 -1.864 1.00 0.00 C ATOM 400 OD1 ASP A 30 7.631 2.218 -2.607 1.00 0.00 O ATOM 401 OD2 ASP A 30 8.472 4.163 -2.022 1.00 0.00 O ATOM 0 H ASP A 30 5.072 2.799 1.108 1.00 0.00 H new ATOM 0 HA ASP A 30 7.105 1.292 -0.120 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.672 3.161 -1.091 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.725 4.296 -0.271 1.00 0.00 H new ATOM 406 N GLU A 31 8.145 3.788 1.792 1.00 0.00 N ATOM 407 CA GLU A 31 9.207 4.240 2.655 1.00 0.00 C ATOM 408 C GLU A 31 9.047 3.559 4.014 1.00 0.00 C ATOM 409 O GLU A 31 9.629 3.982 5.012 1.00 0.00 O ATOM 410 CB GLU A 31 9.116 5.749 2.839 1.00 0.00 C ATOM 411 CG GLU A 31 7.810 6.196 3.484 1.00 0.00 C ATOM 412 CD GLU A 31 7.996 7.421 4.355 1.00 0.00 C ATOM 413 OE1 GLU A 31 8.854 7.380 5.263 1.00 0.00 O ATOM 414 OE2 GLU A 31 7.286 8.423 4.130 1.00 0.00 O ATOM 0 H GLU A 31 7.354 4.429 1.730 1.00 0.00 H new ATOM 0 HA GLU A 31 10.173 3.992 2.215 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.951 6.085 3.454 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.219 6.234 1.868 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.077 6.412 2.706 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.406 5.382 4.085 1.00 0.00 H new ATOM 421 N LEU A 32 8.168 2.556 4.047 1.00 0.00 N ATOM 422 CA LEU A 32 7.816 1.865 5.270 1.00 0.00 C ATOM 423 C LEU A 32 7.537 0.374 5.034 1.00 0.00 C ATOM 424 O LEU A 32 6.597 -0.174 5.589 1.00 0.00 O ATOM 425 CB LEU A 32 6.578 2.582 5.798 1.00 0.00 C ATOM 426 CG LEU A 32 5.989 2.123 7.123 1.00 0.00 C ATOM 427 CD1 LEU A 32 4.719 1.355 6.841 1.00 0.00 C ATOM 428 CD2 LEU A 32 6.973 1.295 7.940 1.00 0.00 C ATOM 0 H LEU A 32 7.684 2.206 3.220 1.00 0.00 H new ATOM 0 HA LEU A 32 8.639 1.891 5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.821 3.640 5.891 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.798 2.500 5.041 1.00 0.00 H new ATOM 0 HG LEU A 32 5.764 2.999 7.732 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.282 1.017 7.781 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.011 2.001 6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.947 0.492 6.216 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.504 0.992 8.876 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.260 0.409 7.374 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.860 1.891 8.155 1.00 0.00 H new ATOM 440 N GLY A 33 8.365 -0.262 4.199 1.00 0.00 N ATOM 441 CA GLY A 33 8.229 -1.693 3.882 1.00 0.00 C ATOM 442 C GLY A 33 6.813 -2.254 3.982 1.00 0.00 C ATOM 443 O GLY A 33 5.840 -1.511 3.995 1.00 0.00 O ATOM 0 H GLY A 33 9.144 0.194 3.725 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.597 -1.860 2.870 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.874 -2.259 4.553 1.00 0.00 H new ATOM 447 N CYS A 34 6.698 -3.583 4.020 1.00 0.00 N ATOM 448 CA CYS A 34 5.387 -4.235 4.080 1.00 0.00 C ATOM 449 C CYS A 34 5.155 -4.997 5.384 1.00 0.00 C ATOM 450 O CYS A 34 6.073 -5.596 5.942 1.00 0.00 O ATOM 451 CB CYS A 34 5.222 -5.183 2.896 1.00 0.00 C ATOM 452 SG CYS A 34 3.571 -5.125 2.135 1.00 0.00 S ATOM 0 H CYS A 34 7.490 -4.225 4.010 1.00 0.00 H new ATOM 0 HA CYS A 34 4.641 -3.441 4.037 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.969 -4.939 2.140 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.424 -6.202 3.227 1.00 0.00 H new ATOM 457 N PHE A 35 3.903 -4.971 5.852 1.00 0.00 N ATOM 458 CA PHE A 35 3.515 -5.660 7.087 1.00 0.00 C ATOM 459 C PHE A 35 2.257 -6.500 6.896 1.00 0.00 C ATOM 460 O PHE A 35 1.149 -5.975 7.002 1.00 0.00 O ATOM 461 CB PHE A 35 3.238 -4.644 8.196 1.00 0.00 C ATOM 462 CG PHE A 35 4.354 -3.674 8.409 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.714 -2.805 7.398 1.00 0.00 C ATOM 464 CD2 PHE A 35 5.046 -3.629 9.610 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.738 -1.909 7.572 1.00 0.00 C ATOM 466 CE2 PHE A 35 6.078 -2.725 9.789 1.00 0.00 C ATOM 467 CZ PHE A 35 6.423 -1.864 8.764 1.00 0.00 C ATOM 0 H PHE A 35 3.138 -4.478 5.392 1.00 0.00 H new ATOM 0 HA PHE A 35 4.345 -6.313 7.358 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.329 -4.093 7.954 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.048 -5.178 9.127 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.182 -2.831 6.458 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.778 -4.303 10.410 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.007 -1.237 6.771 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.613 -2.692 10.727 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.229 -1.157 8.899 1.00 0.00 H new ATOM 477 N VAL A 36 2.399 -7.802 6.676 1.00 0.00 N ATOM 478 CA VAL A 36 1.218 -8.642 6.544 1.00 0.00 C ATOM 479 C VAL A 36 0.876 -9.269 7.878 1.00 0.00 C ATOM 480 O VAL A 36 1.735 -9.824 8.563 1.00 0.00 O ATOM 481 CB VAL A 36 1.355 -9.761 5.502 1.00 0.00 C ATOM 482 CG1 VAL A 36 -0.030 -10.287 5.133 1.00 0.00 C ATOM 483 CG2 VAL A 36 2.104 -9.273 4.270 1.00 0.00 C ATOM 0 H VAL A 36 3.292 -8.286 6.588 1.00 0.00 H new ATOM 0 HA VAL A 36 0.426 -7.977 6.199 1.00 0.00 H new ATOM 0 HB VAL A 36 1.938 -10.576 5.932 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.068 -11.081 4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.520 -10.679 6.024 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.628 -9.476 4.718 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.186 -10.086 3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.561 -8.442 3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.101 -8.941 4.558 1.00 0.00 H new ATOM 493 N GLY A 37 -0.388 -9.168 8.240 1.00 0.00 N ATOM 494 CA GLY A 37 -0.842 -9.717 9.506 1.00 0.00 C ATOM 495 C GLY A 37 -0.009 -9.211 10.672 1.00 0.00 C ATOM 496 O GLY A 37 0.196 -9.921 11.657 1.00 0.00 O ATOM 0 H GLY A 37 -1.113 -8.716 7.683 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.887 -9.451 9.664 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.792 -10.805 9.469 1.00 0.00 H new ATOM 500 N THR A 38 0.483 -7.979 10.546 1.00 0.00 N ATOM 501 CA THR A 38 1.314 -7.364 11.578 1.00 0.00 C ATOM 502 C THR A 38 0.589 -6.194 12.244 1.00 0.00 C ATOM 503 O THR A 38 -0.560 -5.899 11.919 1.00 0.00 O ATOM 504 CB THR A 38 2.632 -6.880 10.965 1.00 0.00 C ATOM 505 OG1 THR A 38 2.848 -7.488 9.700 1.00 0.00 O ATOM 506 CG2 THR A 38 3.844 -7.166 11.826 1.00 0.00 C ATOM 0 H THR A 38 0.318 -7.385 9.734 1.00 0.00 H new ATOM 0 HA THR A 38 1.522 -8.114 12.341 1.00 0.00 H new ATOM 0 HB THR A 38 2.525 -5.799 10.875 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.759 -7.294 9.395 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.740 -6.795 11.328 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.732 -6.668 12.789 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.934 -8.241 11.982 1.00 0.00 H new ATOM 514 N ALA A 39 1.274 -5.527 13.171 1.00 0.00 N ATOM 515 CA ALA A 39 0.699 -4.386 13.883 1.00 0.00 C ATOM 516 C ALA A 39 0.526 -3.181 12.963 1.00 0.00 C ATOM 517 O ALA A 39 -0.538 -2.575 12.919 1.00 0.00 O ATOM 518 CB ALA A 39 1.569 -4.021 15.077 1.00 0.00 C ATOM 0 H ALA A 39 2.229 -5.757 13.447 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.290 -4.676 14.237 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.131 -3.170 15.600 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.630 -4.871 15.756 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.569 -3.759 14.732 1.00 0.00 H new ATOM 524 N GLU A 40 1.576 -2.837 12.227 1.00 0.00 N ATOM 525 CA GLU A 40 1.537 -1.705 11.304 1.00 0.00 C ATOM 526 C GLU A 40 0.622 -1.976 10.105 1.00 0.00 C ATOM 527 O GLU A 40 0.629 -1.217 9.135 1.00 0.00 O ATOM 528 CB GLU A 40 2.946 -1.385 10.814 1.00 0.00 C ATOM 529 CG GLU A 40 3.522 -0.112 11.411 1.00 0.00 C ATOM 530 CD GLU A 40 4.286 -0.364 12.695 1.00 0.00 C ATOM 531 OE1 GLU A 40 5.405 -0.913 12.622 1.00 0.00 O ATOM 532 OE2 GLU A 40 3.766 -0.011 13.774 1.00 0.00 O ATOM 0 H GLU A 40 2.470 -3.327 12.251 1.00 0.00 H new ATOM 0 HA GLU A 40 1.131 -0.852 11.847 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.604 -2.220 11.055 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.932 -1.293 9.728 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.185 0.358 10.684 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.713 0.592 11.606 1.00 0.00 H new ATOM 539 N ALA A 41 -0.125 -3.078 10.145 1.00 0.00 N ATOM 540 CA ALA A 41 -0.989 -3.444 9.032 1.00 0.00 C ATOM 541 C ALA A 41 -2.477 -3.215 9.313 1.00 0.00 C ATOM 542 O ALA A 41 -3.263 -3.000 8.389 1.00 0.00 O ATOM 543 CB ALA A 41 -0.745 -4.896 8.688 1.00 0.00 C ATOM 0 H ALA A 41 -0.147 -3.727 10.932 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.737 -2.794 8.194 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.386 -5.185 7.855 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.299 -5.033 8.407 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.972 -5.518 9.554 1.00 0.00 H new ATOM 549 N LEU A 42 -2.860 -3.271 10.579 1.00 0.00 N ATOM 550 CA LEU A 42 -4.250 -3.083 10.973 1.00 0.00 C ATOM 551 C LEU A 42 -4.814 -1.724 10.544 1.00 0.00 C ATOM 552 O LEU A 42 -6.019 -1.496 10.628 1.00 0.00 O ATOM 553 CB LEU A 42 -4.395 -3.263 12.488 1.00 0.00 C ATOM 554 CG LEU A 42 -3.315 -2.591 13.344 1.00 0.00 C ATOM 555 CD1 LEU A 42 -2.739 -1.380 12.631 1.00 0.00 C ATOM 556 CD2 LEU A 42 -3.883 -2.194 14.700 1.00 0.00 C ATOM 0 H LEU A 42 -2.224 -3.446 11.357 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.833 -3.843 10.453 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.367 -2.873 12.790 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.397 -4.330 12.710 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.509 -3.307 13.503 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.975 -0.919 13.257 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.295 -1.692 11.686 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.534 -0.659 12.438 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.104 -1.718 15.296 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.708 -1.496 14.559 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.244 -3.083 15.218 1.00 0.00 H new ATOM 568 N ARG A 43 -3.947 -0.821 10.095 1.00 0.00 N ATOM 569 CA ARG A 43 -4.371 0.513 9.671 1.00 0.00 C ATOM 570 C ARG A 43 -5.561 0.482 8.711 1.00 0.00 C ATOM 571 O ARG A 43 -6.256 1.484 8.546 1.00 0.00 O ATOM 572 CB ARG A 43 -3.205 1.247 9.032 1.00 0.00 C ATOM 573 CG ARG A 43 -2.789 2.496 9.796 1.00 0.00 C ATOM 574 CD ARG A 43 -2.594 2.204 11.276 1.00 0.00 C ATOM 575 NE ARG A 43 -1.745 3.199 11.926 1.00 0.00 N ATOM 576 CZ ARG A 43 -2.177 4.392 12.329 1.00 0.00 C ATOM 577 NH1 ARG A 43 -3.441 4.749 12.135 1.00 0.00 N ATOM 578 NH2 ARG A 43 -1.341 5.230 12.927 1.00 0.00 N ATOM 0 H ARG A 43 -2.944 -0.988 10.015 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.700 1.042 10.565 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.353 0.571 8.963 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.474 1.525 8.013 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.863 2.889 9.376 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.548 3.269 9.673 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.565 2.178 11.771 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.149 1.216 11.394 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.764 2.966 12.080 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.087 4.108 11.675 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.766 5.664 12.446 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.369 4.960 13.077 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.670 6.145 13.236 1.00 0.00 H new ATOM 592 N CYS A 44 -5.799 -0.661 8.086 1.00 0.00 N ATOM 593 CA CYS A 44 -6.911 -0.798 7.160 1.00 0.00 C ATOM 594 C CYS A 44 -8.224 -0.756 7.914 1.00 0.00 C ATOM 595 O CYS A 44 -9.265 -0.421 7.352 1.00 0.00 O ATOM 596 CB CYS A 44 -6.797 -2.098 6.358 1.00 0.00 C ATOM 597 SG CYS A 44 -7.452 -2.001 4.656 1.00 0.00 S ATOM 0 H CYS A 44 -5.238 -1.505 8.203 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.880 0.036 6.459 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -5.748 -2.391 6.313 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -7.326 -2.887 6.893 1.00 0.00 H new ATOM 804 N LYS A 59 2.070 2.571 -7.528 1.00 0.00 N ATOM 805 CA LYS A 59 2.291 2.635 -8.942 1.00 0.00 C ATOM 806 C LYS A 59 2.282 1.231 -9.555 1.00 0.00 C ATOM 807 O LYS A 59 3.146 0.411 -9.249 1.00 0.00 O ATOM 808 CB LYS A 59 3.600 3.356 -9.243 1.00 0.00 C ATOM 809 CG LYS A 59 3.664 3.931 -10.640 1.00 0.00 C ATOM 810 CD LYS A 59 4.585 5.134 -10.687 1.00 0.00 C ATOM 811 CE LYS A 59 3.834 6.395 -11.087 1.00 0.00 C ATOM 812 NZ LYS A 59 4.758 7.525 -11.378 1.00 0.00 N ATOM 0 HA LYS A 59 1.478 3.203 -9.395 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.737 4.161 -8.521 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.428 2.661 -9.106 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.018 3.170 -11.335 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.665 4.220 -10.965 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.047 5.279 -9.710 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.391 4.949 -11.397 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.224 6.190 -11.966 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.153 6.681 -10.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.206 8.365 -11.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.323 7.738 -10.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.392 7.263 -12.160 1.00 0.00 H new ATOM 826 N PRO A 60 1.285 0.922 -10.397 1.00 0.00 N ATOM 827 CA PRO A 60 1.140 -0.396 -11.020 1.00 0.00 C ATOM 828 C PRO A 60 2.439 -1.049 -11.493 1.00 0.00 C ATOM 829 O PRO A 60 3.418 -0.376 -11.814 1.00 0.00 O ATOM 830 CB PRO A 60 0.226 -0.104 -12.206 1.00 0.00 C ATOM 831 CG PRO A 60 -0.650 1.002 -11.733 1.00 0.00 C ATOM 832 CD PRO A 60 0.180 1.824 -10.780 1.00 0.00 C ATOM 0 HA PRO A 60 0.759 -1.119 -10.299 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.798 0.190 -13.086 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -0.357 -0.982 -12.484 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.996 1.609 -12.570 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.537 0.609 -11.236 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.552 2.731 -11.256 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.401 2.135 -9.911 1.00 0.00 H new ATOM 840 N CYS A 61 2.401 -2.388 -11.567 1.00 0.00 N ATOM 841 CA CYS A 61 3.527 -3.189 -12.030 1.00 0.00 C ATOM 842 C CYS A 61 3.076 -4.591 -12.441 1.00 0.00 C ATOM 843 O CYS A 61 2.064 -5.115 -11.960 1.00 0.00 O ATOM 844 CB CYS A 61 4.637 -3.301 -10.980 1.00 0.00 C ATOM 845 SG CYS A 61 4.122 -2.956 -9.265 1.00 0.00 S ATOM 0 H CYS A 61 1.584 -2.940 -11.305 1.00 0.00 H new ATOM 0 HA CYS A 61 3.932 -2.669 -12.898 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.054 -4.307 -11.022 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.439 -2.612 -11.247 1.00 0.00 H new ATOM 850 N GLY A 62 3.845 -5.190 -13.341 1.00 0.00 N ATOM 851 CA GLY A 62 3.538 -6.514 -13.838 1.00 0.00 C ATOM 852 C GLY A 62 3.699 -7.617 -12.804 1.00 0.00 C ATOM 853 O GLY A 62 3.554 -8.795 -13.130 1.00 0.00 O ATOM 0 H GLY A 62 4.687 -4.774 -13.739 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.512 -6.523 -14.207 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.185 -6.730 -14.688 1.00 0.00 H new ATOM 857 N SER A 63 4.011 -7.253 -11.563 1.00 0.00 N ATOM 858 CA SER A 63 4.194 -8.235 -10.519 1.00 0.00 C ATOM 859 C SER A 63 2.886 -8.521 -9.784 1.00 0.00 C ATOM 860 O SER A 63 2.803 -8.384 -8.563 1.00 0.00 O ATOM 861 CB SER A 63 5.266 -7.772 -9.532 1.00 0.00 C ATOM 862 OG SER A 63 5.529 -8.770 -8.562 1.00 0.00 O ATOM 0 H SER A 63 4.140 -6.286 -11.265 1.00 0.00 H new ATOM 0 HA SER A 63 4.522 -9.162 -10.990 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.183 -7.533 -10.071 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.939 -6.857 -9.038 1.00 0.00 H new ATOM 0 HG SER A 63 6.487 -8.780 -8.354 1.00 0.00 H new ATOM 868 N GLY A 64 1.873 -8.935 -10.538 1.00 0.00 N ATOM 869 CA GLY A 64 0.587 -9.259 -9.956 1.00 0.00 C ATOM 870 C GLY A 64 -0.028 -8.129 -9.164 1.00 0.00 C ATOM 871 O GLY A 64 -0.790 -8.364 -8.226 1.00 0.00 O ATOM 0 H GLY A 64 1.923 -9.052 -11.550 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.099 -9.547 -10.752 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.702 -10.126 -9.305 1.00 0.00 H new ATOM 875 N GLY A 65 0.287 -6.907 -9.544 1.00 0.00 N ATOM 876 CA GLY A 65 -0.264 -5.764 -8.859 1.00 0.00 C ATOM 877 C GLY A 65 0.455 -4.468 -9.093 1.00 0.00 C ATOM 878 O GLY A 65 1.007 -4.224 -10.162 1.00 0.00 O ATOM 0 H GLY A 65 0.916 -6.685 -10.316 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.303 -5.644 -9.165 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.268 -5.970 -7.789 1.00 0.00 H new ATOM 882 N ARG A 66 0.421 -3.618 -8.083 1.00 0.00 N ATOM 883 CA ARG A 66 1.048 -2.323 -8.165 1.00 0.00 C ATOM 884 C ARG A 66 2.103 -2.152 -7.081 1.00 0.00 C ATOM 885 O ARG A 66 2.077 -2.846 -6.069 1.00 0.00 O ATOM 886 CB ARG A 66 0.022 -1.198 -8.051 1.00 0.00 C ATOM 887 CG ARG A 66 -1.374 -1.556 -8.537 1.00 0.00 C ATOM 888 CD ARG A 66 -1.372 -2.245 -9.897 1.00 0.00 C ATOM 889 NE ARG A 66 -2.695 -2.253 -10.513 1.00 0.00 N ATOM 890 CZ ARG A 66 -3.078 -3.115 -11.451 1.00 0.00 C ATOM 891 NH1 ARG A 66 -2.254 -4.069 -11.867 1.00 0.00 N ATOM 892 NH2 ARG A 66 -4.293 -3.024 -11.975 1.00 0.00 N ATOM 0 H ARG A 66 -0.039 -3.809 -7.193 1.00 0.00 H new ATOM 0 HA ARG A 66 1.528 -2.266 -9.142 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.040 -0.886 -7.008 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.380 -0.340 -8.619 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.851 -2.209 -7.806 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.976 -0.649 -8.596 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.668 -1.739 -10.558 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.020 -3.270 -9.782 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.369 -1.553 -10.204 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.319 -4.145 -11.467 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.556 -4.726 -12.587 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.931 -2.294 -11.659 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.589 -3.684 -12.694 1.00 0.00 H new ATOM 906 N CYS A 67 3.029 -1.222 -7.303 1.00 0.00 N ATOM 907 CA CYS A 67 4.096 -0.951 -6.352 1.00 0.00 C ATOM 908 C CYS A 67 3.521 -0.508 -5.021 1.00 0.00 C ATOM 909 O CYS A 67 2.402 -0.004 -4.954 1.00 0.00 O ATOM 910 CB CYS A 67 5.054 0.105 -6.910 1.00 0.00 C ATOM 911 SG CYS A 67 6.569 0.339 -5.924 1.00 0.00 S ATOM 0 H CYS A 67 3.058 -0.641 -8.141 1.00 0.00 H new ATOM 0 HA CYS A 67 4.659 -1.870 -6.190 1.00 0.00 H new ATOM 0 HB2 CYS A 67 5.335 -0.176 -7.925 1.00 0.00 H new ATOM 0 HB3 CYS A 67 4.528 1.057 -6.977 1.00 0.00 H new ATOM 916 N ALA A 68 4.272 -0.732 -3.957 1.00 0.00 N ATOM 917 CA ALA A 68 3.804 -0.390 -2.630 1.00 0.00 C ATOM 918 C ALA A 68 4.956 -0.099 -1.651 1.00 0.00 C ATOM 919 O ALA A 68 5.405 1.039 -1.529 1.00 0.00 O ATOM 920 CB ALA A 68 2.924 -1.535 -2.139 1.00 0.00 C ATOM 0 H ALA A 68 5.203 -1.147 -3.988 1.00 0.00 H new ATOM 0 HA ALA A 68 3.230 0.536 -2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.555 -1.307 -1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.080 -1.662 -2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.507 -2.455 -2.109 1.00 0.00 H new ATOM 926 N ALA A 69 5.385 -1.130 -0.932 1.00 0.00 N ATOM 927 CA ALA A 69 6.455 -1.020 0.062 1.00 0.00 C ATOM 928 C ALA A 69 7.832 -0.961 -0.569 1.00 0.00 C ATOM 929 O ALA A 69 7.948 -0.852 -1.789 1.00 0.00 O ATOM 930 CB ALA A 69 6.390 -2.180 1.036 1.00 0.00 C ATOM 0 H ALA A 69 5.001 -2.071 -1.020 1.00 0.00 H new ATOM 0 HA ALA A 69 6.297 -0.081 0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.191 -2.085 1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.427 -2.172 1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.505 -3.118 0.493 1.00 0.00 H new ATOM 936 N ALA A 70 8.887 -1.043 0.271 1.00 0.00 N ATOM 937 CA ALA A 70 10.255 -1.019 -0.240 1.00 0.00 C ATOM 938 C ALA A 70 10.348 -1.941 -1.416 1.00 0.00 C ATOM 939 O ALA A 70 10.592 -3.131 -1.242 1.00 0.00 O ATOM 940 CB ALA A 70 11.266 -1.487 0.790 1.00 0.00 C ATOM 0 H ALA A 70 8.811 -1.125 1.285 1.00 0.00 H new ATOM 0 HA ALA A 70 10.483 0.013 -0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.267 -1.450 0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.222 -0.837 1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.036 -2.510 1.087 1.00 0.00 H new ATOM 946 N GLY A 71 10.087 -1.431 -2.597 1.00 0.00 N ATOM 947 CA GLY A 71 10.102 -2.290 -3.734 1.00 0.00 C ATOM 948 C GLY A 71 9.146 -3.440 -3.531 1.00 0.00 C ATOM 949 O GLY A 71 9.552 -4.590 -3.401 1.00 0.00 O ATOM 0 H GLY A 71 9.869 -0.452 -2.783 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.824 -1.729 -4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.110 -2.670 -3.898 1.00 0.00 H new ATOM 953 N ILE A 72 7.870 -3.123 -3.521 1.00 0.00 N ATOM 954 CA ILE A 72 6.844 -4.116 -3.350 1.00 0.00 C ATOM 955 C ILE A 72 5.711 -3.817 -4.295 1.00 0.00 C ATOM 956 O ILE A 72 5.356 -2.671 -4.524 1.00 0.00 O ATOM 957 CB ILE A 72 6.310 -4.201 -1.893 1.00 0.00 C ATOM 958 CG1 ILE A 72 7.292 -4.973 -1.003 1.00 0.00 C ATOM 959 CG2 ILE A 72 4.926 -4.852 -1.830 1.00 0.00 C ATOM 960 CD1 ILE A 72 7.022 -6.464 -0.887 1.00 0.00 C ATOM 0 H ILE A 72 7.520 -2.171 -3.631 1.00 0.00 H new ATOM 0 HA ILE A 72 7.289 -5.086 -3.572 1.00 0.00 H new ATOM 0 HB ILE A 72 6.217 -3.180 -1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.300 -4.831 -1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.273 -4.537 -0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.590 -4.892 -0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.221 -4.265 -2.418 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.981 -5.863 -2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.769 -6.920 -0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.030 -6.622 -0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.073 -6.921 -1.875 1.00 0.00 H new ATOM 972 N CYS A 73 5.167 -4.866 -4.839 1.00 0.00 N ATOM 973 CA CYS A 73 4.082 -4.784 -5.755 1.00 0.00 C ATOM 974 C CYS A 73 3.035 -5.747 -5.218 1.00 0.00 C ATOM 975 O CYS A 73 3.235 -6.965 -5.216 1.00 0.00 O ATOM 976 CB CYS A 73 4.587 -5.111 -7.176 1.00 0.00 C ATOM 977 SG CYS A 73 3.437 -4.730 -8.537 1.00 0.00 S ATOM 0 H CYS A 73 5.476 -5.819 -4.650 1.00 0.00 H new ATOM 0 HA CYS A 73 3.640 -3.791 -5.839 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.514 -4.564 -7.346 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.831 -6.173 -7.219 1.00 0.00 H new ATOM 982 N CYS A 74 1.986 -5.187 -4.623 1.00 0.00 N ATOM 983 CA CYS A 74 0.990 -6.004 -3.946 1.00 0.00 C ATOM 984 C CYS A 74 -0.171 -6.460 -4.815 1.00 0.00 C ATOM 985 O CYS A 74 -0.545 -5.817 -5.792 1.00 0.00 O ATOM 986 CB CYS A 74 0.485 -5.276 -2.706 1.00 0.00 C ATOM 987 SG CYS A 74 -0.088 -6.394 -1.389 1.00 0.00 S ATOM 0 H CYS A 74 1.806 -4.183 -4.597 1.00 0.00 H new ATOM 0 HA CYS A 74 1.502 -6.925 -3.668 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.283 -4.646 -2.314 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.333 -4.614 -2.991 1.00 0.00 H new ATOM 992 N SER A 75 -0.734 -7.598 -4.407 1.00 0.00 N ATOM 993 CA SER A 75 -1.854 -8.221 -5.080 1.00 0.00 C ATOM 994 C SER A 75 -3.051 -8.330 -4.134 1.00 0.00 C ATOM 995 O SER A 75 -2.975 -7.901 -2.983 1.00 0.00 O ATOM 996 CB SER A 75 -1.454 -9.609 -5.593 1.00 0.00 C ATOM 997 OG SER A 75 -0.106 -9.622 -6.033 1.00 0.00 O ATOM 0 H SER A 75 -0.414 -8.113 -3.587 1.00 0.00 H new ATOM 0 HA SER A 75 -2.140 -7.601 -5.930 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.588 -10.345 -4.801 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.110 -9.900 -6.413 1.00 0.00 H new ATOM 0 HG SER A 75 -0.004 -9.011 -6.793 1.00 0.00 H new ATOM 1003 N PRO A 76 -4.179 -8.896 -4.601 1.00 0.00 N ATOM 1004 CA PRO A 76 -5.385 -9.042 -3.780 1.00 0.00 C ATOM 1005 C PRO A 76 -5.231 -10.127 -2.717 1.00 0.00 C ATOM 1006 O PRO A 76 -6.056 -10.240 -1.810 1.00 0.00 O ATOM 1007 CB PRO A 76 -6.467 -9.461 -4.788 1.00 0.00 C ATOM 1008 CG PRO A 76 -5.865 -9.256 -6.139 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.386 -9.420 -5.957 1.00 0.00 C ATOM 0 HA PRO A 76 -5.613 -8.123 -3.240 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -6.755 -10.502 -4.642 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -7.369 -8.861 -4.666 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.254 -9.981 -6.854 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.104 -8.266 -6.527 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.079 -10.462 -6.042 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.820 -8.859 -6.701 1.00 0.00 H new ATOM 1017 N ASP A 77 -4.172 -10.924 -2.831 1.00 0.00 N ATOM 1018 CA ASP A 77 -3.915 -11.998 -1.874 1.00 0.00 C ATOM 1019 C ASP A 77 -2.756 -11.641 -0.946 1.00 0.00 C ATOM 1020 O ASP A 77 -2.712 -12.078 0.204 1.00 0.00 O ATOM 1021 CB ASP A 77 -3.602 -13.301 -2.614 1.00 0.00 C ATOM 1022 CG ASP A 77 -4.645 -14.372 -2.364 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -5.846 -14.088 -2.556 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -4.261 -15.496 -1.976 1.00 0.00 O ATOM 0 H ASP A 77 -3.479 -10.847 -3.575 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.812 -12.132 -1.270 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.539 -13.102 -3.684 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.625 -13.669 -2.300 1.00 0.00 H new ATOM 1029 N GLY A 78 -1.819 -10.846 -1.453 1.00 0.00 N ATOM 1030 CA GLY A 78 -0.678 -10.445 -0.666 1.00 0.00 C ATOM 1031 C GLY A 78 0.360 -9.699 -1.483 1.00 0.00 C ATOM 1032 O GLY A 78 0.254 -9.623 -2.707 1.00 0.00 O ATOM 0 H GLY A 78 -1.835 -10.473 -2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.012 -9.812 0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.219 -11.328 -0.221 1.00 0.00 H new ATOM 1036 N CYS A 79 1.358 -9.131 -0.810 1.00 0.00 N ATOM 1037 CA CYS A 79 2.396 -8.391 -1.495 1.00 0.00 C ATOM 1038 C CYS A 79 3.638 -9.238 -1.728 1.00 0.00 C ATOM 1039 O CYS A 79 3.824 -10.284 -1.106 1.00 0.00 O ATOM 1040 CB CYS A 79 2.779 -7.146 -0.699 1.00 0.00 C ATOM 1041 SG CYS A 79 1.364 -6.243 0.017 1.00 0.00 S ATOM 0 H CYS A 79 1.463 -9.173 0.204 1.00 0.00 H new ATOM 0 HA CYS A 79 1.993 -8.100 -2.465 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.453 -7.438 0.106 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.334 -6.470 -1.350 1.00 0.00 H new ATOM 1046 N GLU A 80 4.493 -8.753 -2.618 1.00 0.00 N ATOM 1047 CA GLU A 80 5.735 -9.418 -2.941 1.00 0.00 C ATOM 1048 C GLU A 80 6.769 -8.388 -3.381 1.00 0.00 C ATOM 1049 O GLU A 80 6.437 -7.439 -4.092 1.00 0.00 O ATOM 1050 CB GLU A 80 5.515 -10.467 -4.031 1.00 0.00 C ATOM 1051 CG GLU A 80 5.098 -9.884 -5.372 1.00 0.00 C ATOM 1052 CD GLU A 80 5.803 -10.549 -6.538 1.00 0.00 C ATOM 1053 OE1 GLU A 80 6.965 -10.186 -6.815 1.00 0.00 O ATOM 1054 OE2 GLU A 80 5.191 -11.432 -7.176 1.00 0.00 O ATOM 0 H GLU A 80 4.339 -7.886 -3.133 1.00 0.00 H new ATOM 0 HA GLU A 80 6.106 -9.931 -2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.435 -11.037 -4.164 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.750 -11.169 -3.697 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.020 -9.993 -5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.313 -8.816 -5.383 1.00 0.00 H new ATOM 1061 N GLU A 81 8.019 -8.554 -2.949 1.00 0.00 N ATOM 1062 CA GLU A 81 9.057 -7.614 -3.301 1.00 0.00 C ATOM 1063 C GLU A 81 9.196 -7.516 -4.807 1.00 0.00 C ATOM 1064 O GLU A 81 9.487 -8.503 -5.480 1.00 0.00 O ATOM 1065 CB GLU A 81 10.379 -8.019 -2.655 1.00 0.00 C ATOM 1066 CG GLU A 81 10.625 -9.507 -2.628 1.00 0.00 C ATOM 1067 CD GLU A 81 10.897 -10.028 -1.230 1.00 0.00 C ATOM 1068 OE1 GLU A 81 10.159 -9.642 -0.300 1.00 0.00 O ATOM 1069 OE2 GLU A 81 11.850 -10.819 -1.066 1.00 0.00 O ATOM 0 H GLU A 81 8.326 -9.328 -2.360 1.00 0.00 H new ATOM 0 HA GLU A 81 8.781 -6.630 -2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.196 -7.537 -3.193 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.402 -7.640 -1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.758 -10.022 -3.041 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.473 -9.743 -3.271 1.00 0.00 H new ATOM 1076 N ASP A 82 8.966 -6.319 -5.329 1.00 0.00 N ATOM 1077 CA ASP A 82 9.038 -6.086 -6.747 1.00 0.00 C ATOM 1078 C ASP A 82 10.382 -5.466 -7.142 1.00 0.00 C ATOM 1079 O ASP A 82 10.661 -4.302 -6.863 1.00 0.00 O ATOM 1080 CB ASP A 82 7.866 -5.201 -7.193 1.00 0.00 C ATOM 1081 CG ASP A 82 7.830 -3.877 -6.472 1.00 0.00 C ATOM 1082 OD1 ASP A 82 8.824 -3.548 -5.806 1.00 0.00 O ATOM 1083 OD2 ASP A 82 6.817 -3.158 -6.589 1.00 0.00 O ATOM 0 H ASP A 82 8.727 -5.494 -4.778 1.00 0.00 H new ATOM 0 HA ASP A 82 8.963 -7.045 -7.259 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.937 -5.024 -8.266 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.929 -5.731 -7.019 1.00 0.00 H new ATOM 1088 N PRO A 83 11.234 -6.263 -7.807 1.00 0.00 N ATOM 1089 CA PRO A 83 12.545 -5.839 -8.272 1.00 0.00 C ATOM 1090 C PRO A 83 12.410 -4.623 -9.150 1.00 0.00 C ATOM 1091 O PRO A 83 13.359 -3.882 -9.402 1.00 0.00 O ATOM 1092 CB PRO A 83 13.045 -7.048 -9.068 1.00 0.00 C ATOM 1093 CG PRO A 83 12.313 -8.191 -8.474 1.00 0.00 C ATOM 1094 CD PRO A 83 10.960 -7.639 -8.153 1.00 0.00 C ATOM 0 HA PRO A 83 13.227 -5.558 -7.469 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.829 -6.944 -10.131 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.124 -7.171 -8.973 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.246 -9.026 -9.171 1.00 0.00 H new ATOM 0 HG3 PRO A 83 12.813 -8.562 -7.580 1.00 0.00 H new ATOM 0 HD2 PRO A 83 10.284 -7.712 -9.005 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.492 -8.176 -7.327 1.00 0.00 H new ATOM 1102 N ALA A 84 11.193 -4.425 -9.579 1.00 0.00 N ATOM 1103 CA ALA A 84 10.833 -3.316 -10.385 1.00 0.00 C ATOM 1104 C ALA A 84 10.855 -2.040 -9.568 1.00 0.00 C ATOM 1105 O ALA A 84 11.017 -0.944 -10.105 1.00 0.00 O ATOM 1106 CB ALA A 84 9.444 -3.576 -10.922 1.00 0.00 C ATOM 0 H ALA A 84 10.415 -5.050 -9.367 1.00 0.00 H new ATOM 0 HA ALA A 84 11.541 -3.194 -11.205 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.134 -2.740 -11.549 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.448 -4.491 -11.514 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.747 -3.685 -10.091 1.00 0.00 H new ATOM 1112 N CYS A 85 10.610 -2.188 -8.270 1.00 0.00 N ATOM 1113 CA CYS A 85 10.522 -1.041 -7.397 1.00 0.00 C ATOM 1114 C CYS A 85 11.640 -0.841 -6.342 1.00 0.00 C ATOM 1115 O CYS A 85 11.836 0.313 -5.959 1.00 0.00 O ATOM 1116 CB CYS A 85 9.154 -1.003 -6.722 1.00 0.00 C ATOM 1117 SG CYS A 85 8.060 0.331 -7.303 1.00 0.00 S ATOM 0 H CYS A 85 10.471 -3.087 -7.809 1.00 0.00 H new ATOM 0 HA CYS A 85 10.672 -0.202 -8.076 1.00 0.00 H new ATOM 0 HB2 CYS A 85 8.657 -1.959 -6.884 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.297 -0.896 -5.647 1.00 0.00 H new ATOM 1122 N ASP A 86 12.369 -1.870 -5.809 1.00 0.00 N ATOM 1123 CA ASP A 86 13.376 -1.492 -4.760 1.00 0.00 C ATOM 1124 C ASP A 86 14.196 -2.553 -3.969 1.00 0.00 C ATOM 1125 O ASP A 86 15.248 -2.192 -3.441 1.00 0.00 O ATOM 1126 CB ASP A 86 12.636 -0.753 -3.656 1.00 0.00 C ATOM 1127 CG ASP A 86 13.523 0.207 -2.887 1.00 0.00 C ATOM 1128 OD1 ASP A 86 14.389 -0.267 -2.122 1.00 0.00 O ATOM 1129 OD2 ASP A 86 13.349 1.434 -3.047 1.00 0.00 O ATOM 0 H ASP A 86 12.298 -2.859 -6.050 1.00 0.00 H new ATOM 0 HA ASP A 86 14.106 -0.974 -5.381 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.804 -0.200 -4.091 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.209 -1.479 -2.963 1.00 0.00 H new ATOM 1134 N PRO A 87 13.729 -3.788 -3.718 1.00 0.00 N ATOM 1135 CA PRO A 87 14.424 -4.729 -2.840 1.00 0.00 C ATOM 1136 C PRO A 87 15.095 -5.829 -3.596 1.00 0.00 C ATOM 1137 O PRO A 87 16.314 -5.858 -3.767 1.00 0.00 O ATOM 1138 CB PRO A 87 13.253 -5.286 -2.020 1.00 0.00 C ATOM 1139 CG PRO A 87 12.021 -4.837 -2.750 1.00 0.00 C ATOM 1140 CD PRO A 87 12.481 -4.382 -4.106 1.00 0.00 C ATOM 0 HA PRO A 87 15.223 -4.267 -2.261 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.299 -6.373 -1.954 1.00 0.00 H new ATOM 0 HB3 PRO A 87 13.269 -4.904 -0.999 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.301 -5.651 -2.836 1.00 0.00 H new ATOM 0 HG3 PRO A 87 11.525 -4.027 -2.215 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.605 -5.205 -4.809 1.00 0.00 H new ATOM 0 HD3 PRO A 87 11.798 -3.669 -4.567 1.00 0.00 H new ATOM 1148 N GLU A 88 14.256 -6.694 -4.113 1.00 0.00 N ATOM 1149 CA GLU A 88 14.705 -7.774 -4.943 1.00 0.00 C ATOM 1150 C GLU A 88 15.178 -7.133 -6.243 1.00 0.00 C ATOM 1151 O GLU A 88 15.743 -7.769 -7.132 1.00 0.00 O ATOM 1152 CB GLU A 88 13.550 -8.756 -5.188 1.00 0.00 C ATOM 1153 CG GLU A 88 13.994 -10.121 -5.685 1.00 0.00 C ATOM 1154 CD GLU A 88 12.960 -11.198 -5.419 1.00 0.00 C ATOM 1155 OE1 GLU A 88 11.780 -10.848 -5.204 1.00 0.00 O ATOM 1156 OE2 GLU A 88 13.329 -12.391 -5.427 1.00 0.00 O ATOM 0 H GLU A 88 13.247 -6.665 -3.968 1.00 0.00 H new ATOM 0 HA GLU A 88 15.511 -8.344 -4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.991 -8.883 -4.261 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.865 -8.321 -5.916 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.192 -10.068 -6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.932 -10.394 -5.200 1.00 0.00 H new ATOM 1163 N ALA A 89 14.921 -5.827 -6.282 1.00 0.00 N ATOM 1164 CA ALA A 89 15.257 -4.933 -7.356 1.00 0.00 C ATOM 1165 C ALA A 89 16.742 -4.618 -7.389 1.00 0.00 C ATOM 1166 O ALA A 89 17.569 -5.328 -6.817 1.00 0.00 O ATOM 1167 CB ALA A 89 14.488 -3.643 -7.109 1.00 0.00 C ATOM 0 H ALA A 89 14.446 -5.351 -5.515 1.00 0.00 H new ATOM 0 HA ALA A 89 15.001 -5.397 -8.308 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.711 -2.929 -7.902 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.418 -3.853 -7.100 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.783 -3.222 -6.148 1.00 0.00 H new ATOM 1173 N ALA A 90 17.042 -3.497 -8.021 1.00 0.00 N ATOM 1174 CA ALA A 90 18.377 -2.970 -8.106 1.00 0.00 C ATOM 1175 C ALA A 90 18.802 -2.577 -6.708 1.00 0.00 C ATOM 1176 O ALA A 90 18.023 -2.748 -5.770 1.00 0.00 O ATOM 1177 CB ALA A 90 18.369 -1.744 -8.995 1.00 0.00 C ATOM 0 H ALA A 90 16.346 -2.923 -8.496 1.00 0.00 H new ATOM 0 HA ALA A 90 19.063 -3.708 -8.522 1.00 0.00 H new ATOM 0 HB1 ALA A 90 19.378 -1.338 -9.064 1.00 0.00 H new ATOM 0 HB2 ALA A 90 18.019 -2.018 -9.990 1.00 0.00 H new ATOM 0 HB3 ALA A 90 17.704 -0.992 -8.571 1.00 0.00 H new ATOM 1183 N PHE A 91 19.995 -2.026 -6.542 1.00 0.00 N ATOM 1184 CA PHE A 91 20.401 -1.601 -5.211 1.00 0.00 C ATOM 1185 C PHE A 91 19.607 -0.344 -4.873 1.00 0.00 C ATOM 1186 O PHE A 91 20.158 0.737 -4.675 1.00 0.00 O ATOM 1187 CB PHE A 91 21.908 -1.316 -5.153 1.00 0.00 C ATOM 1188 CG PHE A 91 22.449 -0.592 -6.358 1.00 0.00 C ATOM 1189 CD1 PHE A 91 22.427 0.792 -6.424 1.00 0.00 C ATOM 1190 CD2 PHE A 91 22.987 -1.299 -7.421 1.00 0.00 C ATOM 1191 CE1 PHE A 91 22.929 1.456 -7.526 1.00 0.00 C ATOM 1192 CE2 PHE A 91 23.491 -0.640 -8.526 1.00 0.00 C ATOM 1193 CZ PHE A 91 23.462 0.739 -8.578 1.00 0.00 C ATOM 0 H PHE A 91 20.678 -1.866 -7.283 1.00 0.00 H new ATOM 0 HA PHE A 91 20.200 -2.392 -4.489 1.00 0.00 H new ATOM 0 HB2 PHE A 91 22.120 -0.724 -4.263 1.00 0.00 H new ATOM 0 HB3 PHE A 91 22.440 -2.261 -5.042 1.00 0.00 H new ATOM 0 HD1 PHE A 91 22.012 1.358 -5.603 1.00 0.00 H new ATOM 0 HD2 PHE A 91 23.013 -2.378 -7.386 1.00 0.00 H new ATOM 0 HE1 PHE A 91 22.905 2.535 -7.565 1.00 0.00 H new ATOM 0 HE2 PHE A 91 23.907 -1.203 -9.348 1.00 0.00 H new ATOM 0 HZ PHE A 91 23.856 1.256 -9.441 1.00 0.00 H new ATOM 1203 N SER A 92 18.285 -0.522 -4.826 1.00 0.00 N ATOM 1204 CA SER A 92 17.350 0.549 -4.543 1.00 0.00 C ATOM 1205 C SER A 92 16.911 0.520 -3.081 1.00 0.00 C ATOM 1206 O SER A 92 16.379 1.544 -2.603 1.00 0.00 O ATOM 1207 CB SER A 92 16.136 0.429 -5.484 1.00 0.00 C ATOM 1208 OG SER A 92 14.995 1.062 -4.930 1.00 0.00 O ATOM 1209 OXT SER A 92 17.101 -0.527 -2.428 1.00 0.00 O ATOM 0 H SER A 92 17.838 -1.425 -4.986 1.00 0.00 H new ATOM 0 HA SER A 92 17.843 1.506 -4.717 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.373 0.880 -6.448 1.00 0.00 H new ATOM 0 HB3 SER A 92 15.918 -0.623 -5.669 1.00 0.00 H new ATOM 0 HG SER A 92 14.351 1.257 -5.642 1.00 0.00 H new