USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=10 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+ -132:sc= 0.0854 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -162:sc= 0.372 (180deg=0.226) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -160:sc= -0.261 USER MOD Single : A 59 LYS NZ :NH3+ -176:sc= 0.546 (180deg=0.35) USER MOD Single : A 63 SER OG : rot -37:sc= -0.965 USER MOD Single : A 75 SER OG : rot -64:sc= 1.23 USER MOD Single : A 92 SER OG : rot 2:sc= -1.93! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.835 1.551 -8.839 1.00 0.00 N ATOM 2 CA ALA A 1 -3.478 2.982 -9.058 1.00 0.00 C ATOM 3 C ALA A 1 -4.718 3.819 -9.355 1.00 0.00 C ATOM 4 O ALA A 1 -5.845 3.332 -9.260 1.00 0.00 O ATOM 5 CB ALA A 1 -2.470 3.112 -10.193 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.369 1.205 -7.976 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.866 1.462 -8.735 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.520 0.986 -9.653 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.026 3.359 -8.141 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -2.220 4.163 -10.339 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -1.567 2.556 -9.943 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.901 2.710 -11.110 1.00 0.00 H new ATOM 13 N VAL A 2 -4.507 5.082 -9.714 1.00 0.00 N ATOM 14 CA VAL A 2 -5.618 5.975 -10.024 1.00 0.00 C ATOM 15 C VAL A 2 -6.486 6.200 -8.787 1.00 0.00 C ATOM 16 O VAL A 2 -6.334 5.515 -7.776 1.00 0.00 O ATOM 17 CB VAL A 2 -6.486 5.402 -11.170 1.00 0.00 C ATOM 18 CG1 VAL A 2 -7.398 6.467 -11.764 1.00 0.00 C ATOM 19 CG2 VAL A 2 -5.604 4.796 -12.251 1.00 0.00 C ATOM 0 H VAL A 2 -3.584 5.508 -9.797 1.00 0.00 H new ATOM 0 HA VAL A 2 -5.199 6.928 -10.346 1.00 0.00 H new ATOM 0 HB VAL A 2 -7.118 4.619 -10.750 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.993 6.030 -12.566 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.060 6.852 -10.989 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.794 7.282 -12.163 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -6.229 4.397 -13.050 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.945 5.564 -12.655 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.005 3.992 -11.824 1.00 0.00 H new ATOM 29 N LEU A 3 -7.381 7.177 -8.864 1.00 0.00 N ATOM 30 CA LEU A 3 -8.246 7.515 -7.765 1.00 0.00 C ATOM 31 C LEU A 3 -9.286 6.451 -7.491 1.00 0.00 C ATOM 32 O LEU A 3 -9.636 5.650 -8.359 1.00 0.00 O ATOM 33 CB LEU A 3 -8.948 8.837 -8.072 1.00 0.00 C ATOM 34 CG LEU A 3 -8.283 10.068 -7.481 1.00 0.00 C ATOM 35 CD1 LEU A 3 -7.518 9.677 -6.240 1.00 0.00 C ATOM 36 CD2 LEU A 3 -7.366 10.723 -8.500 1.00 0.00 C ATOM 0 H LEU A 3 -7.520 7.752 -9.695 1.00 0.00 H new ATOM 0 HA LEU A 3 -7.625 7.598 -6.873 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.006 8.958 -9.154 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.972 8.782 -7.702 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.049 10.795 -7.210 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.040 10.559 -5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.204 9.248 -5.510 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.757 8.941 -6.499 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.899 11.603 -8.057 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.593 10.016 -8.802 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.946 11.021 -9.373 1.00 0.00 H new ATOM 48 N ASP A 4 -9.771 6.457 -6.258 1.00 0.00 N ATOM 49 CA ASP A 4 -10.759 5.508 -5.828 1.00 0.00 C ATOM 50 C ASP A 4 -12.157 5.924 -6.252 1.00 0.00 C ATOM 51 O ASP A 4 -12.732 5.371 -7.189 1.00 0.00 O ATOM 52 CB ASP A 4 -10.702 5.319 -4.312 1.00 0.00 C ATOM 53 CG ASP A 4 -11.635 4.224 -3.837 1.00 0.00 C ATOM 54 OD1 ASP A 4 -11.234 3.041 -3.884 1.00 0.00 O ATOM 55 OD2 ASP A 4 -12.764 4.548 -3.414 1.00 0.00 O ATOM 0 H ASP A 4 -9.485 7.121 -5.538 1.00 0.00 H new ATOM 0 HA ASP A 4 -10.531 4.558 -6.312 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -9.681 5.078 -4.016 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.964 6.256 -3.821 1.00 0.00 H new ATOM 60 N LEU A 5 -12.701 6.883 -5.528 1.00 0.00 N ATOM 61 CA LEU A 5 -14.031 7.375 -5.764 1.00 0.00 C ATOM 62 C LEU A 5 -14.101 8.895 -5.611 1.00 0.00 C ATOM 63 O LEU A 5 -13.201 9.608 -6.055 1.00 0.00 O ATOM 64 CB LEU A 5 -14.959 6.655 -4.784 1.00 0.00 C ATOM 65 CG LEU A 5 -14.862 7.029 -3.284 1.00 0.00 C ATOM 66 CD1 LEU A 5 -13.587 7.791 -2.949 1.00 0.00 C ATOM 67 CD2 LEU A 5 -16.117 7.765 -2.819 1.00 0.00 C ATOM 0 H LEU A 5 -12.222 7.342 -4.754 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.340 7.170 -6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.986 6.830 -5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.774 5.585 -4.874 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.803 6.095 -2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -13.573 8.027 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -12.721 7.177 -3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -13.553 8.715 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -16.022 8.015 -1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -16.238 8.680 -3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -16.988 7.126 -2.963 1.00 0.00 H new ATOM 79 N ASP A 6 -15.169 9.391 -5.001 1.00 0.00 N ATOM 80 CA ASP A 6 -15.335 10.814 -4.815 1.00 0.00 C ATOM 81 C ASP A 6 -14.451 11.320 -3.692 1.00 0.00 C ATOM 82 O ASP A 6 -13.876 12.405 -3.784 1.00 0.00 O ATOM 83 CB ASP A 6 -16.799 11.160 -4.539 1.00 0.00 C ATOM 84 CG ASP A 6 -17.350 12.159 -5.538 1.00 0.00 C ATOM 85 OD1 ASP A 6 -17.570 11.772 -6.705 1.00 0.00 O ATOM 86 OD2 ASP A 6 -17.558 13.330 -5.155 1.00 0.00 O ATOM 0 H ASP A 6 -15.930 8.823 -4.629 1.00 0.00 H new ATOM 0 HA ASP A 6 -15.033 11.309 -5.738 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.398 10.250 -4.570 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.891 11.567 -3.532 1.00 0.00 H new ATOM 91 N VAL A 7 -14.329 10.528 -2.638 1.00 0.00 N ATOM 92 CA VAL A 7 -13.489 10.911 -1.525 1.00 0.00 C ATOM 93 C VAL A 7 -12.089 10.337 -1.686 1.00 0.00 C ATOM 94 O VAL A 7 -11.775 9.263 -1.176 1.00 0.00 O ATOM 95 CB VAL A 7 -14.072 10.512 -0.151 1.00 0.00 C ATOM 96 CG1 VAL A 7 -15.324 11.321 0.140 1.00 0.00 C ATOM 97 CG2 VAL A 7 -14.372 9.023 -0.063 1.00 0.00 C ATOM 0 H VAL A 7 -14.797 9.628 -2.534 1.00 0.00 H new ATOM 0 HA VAL A 7 -13.443 12.000 -1.542 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.315 10.733 0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.727 11.032 1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.077 12.383 0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -16.068 11.130 -0.633 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.780 8.792 0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.098 8.752 -0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.453 8.457 -0.217 1.00 0.00 H new ATOM 107 N ARG A 8 -11.257 11.054 -2.424 1.00 0.00 N ATOM 108 CA ARG A 8 -9.915 10.631 -2.697 1.00 0.00 C ATOM 109 C ARG A 8 -9.002 10.793 -1.485 1.00 0.00 C ATOM 110 O ARG A 8 -9.439 11.218 -0.415 1.00 0.00 O ATOM 111 CB ARG A 8 -9.398 11.448 -3.870 1.00 0.00 C ATOM 112 CG ARG A 8 -10.238 11.282 -5.118 1.00 0.00 C ATOM 113 CD ARG A 8 -10.105 12.486 -6.034 1.00 0.00 C ATOM 114 NE ARG A 8 -10.744 12.260 -7.332 1.00 0.00 N ATOM 115 CZ ARG A 8 -12.060 12.243 -7.523 1.00 0.00 C ATOM 116 NH1 ARG A 8 -12.888 12.477 -6.514 1.00 0.00 N ATOM 117 NH2 ARG A 8 -12.549 11.992 -8.731 1.00 0.00 N ATOM 0 H ARG A 8 -11.506 11.948 -2.847 1.00 0.00 H new ATOM 0 HA ARG A 8 -9.917 9.568 -2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.375 12.501 -3.591 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.371 11.153 -4.087 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.930 10.382 -5.650 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -11.283 11.147 -4.841 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.553 13.357 -5.556 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.049 12.713 -6.184 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.142 12.106 -8.141 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.517 12.672 -5.584 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.896 12.462 -6.668 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.916 11.813 -9.510 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.558 11.978 -8.880 1.00 0.00 H new ATOM 131 N THR A 9 -7.732 10.446 -1.667 1.00 0.00 N ATOM 132 CA THR A 9 -6.746 10.546 -0.601 1.00 0.00 C ATOM 133 C THR A 9 -7.166 9.734 0.622 1.00 0.00 C ATOM 134 O THR A 9 -8.001 10.168 1.415 1.00 0.00 O ATOM 135 CB THR A 9 -6.521 12.005 -0.236 1.00 0.00 C ATOM 136 OG1 THR A 9 -5.737 12.658 -1.222 1.00 0.00 O ATOM 137 CG2 THR A 9 -5.836 12.212 1.099 1.00 0.00 C ATOM 0 H THR A 9 -7.362 10.091 -2.549 1.00 0.00 H new ATOM 0 HA THR A 9 -5.807 10.127 -0.961 1.00 0.00 H new ATOM 0 HB THR A 9 -7.523 12.429 -0.173 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.606 13.595 -0.968 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.713 13.279 1.283 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.443 11.774 1.891 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.858 11.732 1.084 1.00 0.00 H new ATOM 145 N CYS A 10 -6.573 8.553 0.761 1.00 0.00 N ATOM 146 CA CYS A 10 -6.871 7.663 1.879 1.00 0.00 C ATOM 147 C CYS A 10 -6.066 8.065 3.115 1.00 0.00 C ATOM 148 O CYS A 10 -5.572 9.189 3.203 1.00 0.00 O ATOM 149 CB CYS A 10 -6.562 6.214 1.487 1.00 0.00 C ATOM 150 SG CYS A 10 -7.848 5.010 1.957 1.00 0.00 S ATOM 0 H CYS A 10 -5.879 8.188 0.109 1.00 0.00 H new ATOM 0 HA CYS A 10 -7.931 7.746 2.121 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -6.415 6.167 0.408 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.620 5.919 1.950 1.00 0.00 H new ATOM 0 HG CYS A 10 -7.488 3.820 1.578 1.00 0.00 H new ATOM 174 N PRO A 12 -2.776 7.651 5.681 1.00 0.00 N ATOM 175 CA PRO A 12 -1.377 7.229 5.658 1.00 0.00 C ATOM 176 C PRO A 12 -1.152 5.926 6.417 1.00 0.00 C ATOM 177 O PRO A 12 -2.102 5.267 6.844 1.00 0.00 O ATOM 178 CB PRO A 12 -0.621 8.364 6.354 1.00 0.00 C ATOM 179 CG PRO A 12 -1.539 9.535 6.363 1.00 0.00 C ATOM 180 CD PRO A 12 -2.943 8.999 6.259 1.00 0.00 C ATOM 0 HA PRO A 12 -1.044 7.044 4.637 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.343 8.080 7.369 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.302 8.598 5.824 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.415 10.115 7.278 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.319 10.203 5.530 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.426 8.956 7.235 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.564 9.630 5.623 1.00 0.00 H new ATOM 188 N CYS A 13 0.116 5.579 6.597 1.00 0.00 N ATOM 189 CA CYS A 13 0.489 4.376 7.300 1.00 0.00 C ATOM 190 C CYS A 13 1.902 4.481 7.840 1.00 0.00 C ATOM 191 O CYS A 13 2.586 5.483 7.632 1.00 0.00 O ATOM 192 CB CYS A 13 0.391 3.168 6.381 1.00 0.00 C ATOM 193 SG CYS A 13 -0.070 1.633 7.230 1.00 0.00 S ATOM 0 H CYS A 13 0.907 6.127 6.258 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.202 4.252 8.134 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.343 3.375 5.602 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.350 3.023 5.885 1.00 0.00 H new ATOM 198 N GLY A 14 2.348 3.427 8.505 1.00 0.00 N ATOM 199 CA GLY A 14 3.686 3.413 9.030 1.00 0.00 C ATOM 200 C GLY A 14 3.953 4.507 10.037 1.00 0.00 C ATOM 201 O GLY A 14 3.168 4.737 10.957 1.00 0.00 O ATOM 0 H GLY A 14 1.804 2.584 8.688 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.873 2.447 9.498 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.392 3.510 8.205 1.00 0.00 H new ATOM 205 N PRO A 15 5.098 5.165 9.886 1.00 0.00 N ATOM 206 CA PRO A 15 5.563 6.225 10.767 1.00 0.00 C ATOM 207 C PRO A 15 5.138 7.618 10.300 1.00 0.00 C ATOM 208 O PRO A 15 5.757 8.201 9.410 1.00 0.00 O ATOM 209 CB PRO A 15 7.069 6.030 10.638 1.00 0.00 C ATOM 210 CG PRO A 15 7.246 5.752 9.194 1.00 0.00 C ATOM 211 CD PRO A 15 6.080 4.877 8.833 1.00 0.00 C ATOM 0 HA PRO A 15 5.165 6.170 11.780 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.619 6.918 10.948 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.423 5.204 11.255 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.247 6.672 8.610 1.00 0.00 H new ATOM 0 HG3 PRO A 15 8.194 5.250 9.000 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.690 5.116 7.844 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.358 3.823 8.820 1.00 0.00 H new ATOM 219 N GLY A 16 4.075 8.143 10.908 1.00 0.00 N ATOM 220 CA GLY A 16 3.581 9.462 10.542 1.00 0.00 C ATOM 221 C GLY A 16 2.606 9.404 9.384 1.00 0.00 C ATOM 222 O GLY A 16 1.407 9.627 9.553 1.00 0.00 O ATOM 0 H GLY A 16 3.547 7.679 11.647 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.093 9.918 11.404 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.422 10.103 10.276 1.00 0.00 H new ATOM 226 N GLY A 17 3.126 9.077 8.210 1.00 0.00 N ATOM 227 CA GLY A 17 2.310 8.957 7.027 1.00 0.00 C ATOM 228 C GLY A 17 3.120 8.611 5.806 1.00 0.00 C ATOM 229 O GLY A 17 2.794 9.002 4.685 1.00 0.00 O ATOM 0 H GLY A 17 4.117 8.890 8.059 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.553 8.190 7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.782 9.895 6.856 1.00 0.00 H new ATOM 233 N LYS A 18 4.175 7.864 6.042 1.00 0.00 N ATOM 234 CA LYS A 18 5.066 7.422 5.004 1.00 0.00 C ATOM 235 C LYS A 18 4.377 6.388 4.141 1.00 0.00 C ATOM 236 O LYS A 18 4.588 6.307 2.931 1.00 0.00 O ATOM 237 CB LYS A 18 6.302 6.825 5.660 1.00 0.00 C ATOM 238 CG LYS A 18 7.480 7.759 5.733 1.00 0.00 C ATOM 239 CD LYS A 18 7.026 9.185 5.913 1.00 0.00 C ATOM 240 CE LYS A 18 8.197 10.144 6.050 1.00 0.00 C ATOM 241 NZ LYS A 18 8.561 10.770 4.748 1.00 0.00 N ATOM 0 H LYS A 18 4.438 7.544 6.974 1.00 0.00 H new ATOM 0 HA LYS A 18 5.353 8.260 4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.044 6.506 6.670 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.596 5.932 5.108 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.126 7.472 6.562 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.073 7.674 4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.414 9.480 5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.395 9.255 6.799 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.945 10.923 6.769 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.059 9.609 6.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.521 11.165 4.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.529 10.052 3.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.887 11.531 4.528 1.00 0.00 H new ATOM 255 N GLY A 19 3.538 5.617 4.793 1.00 0.00 N ATOM 256 CA GLY A 19 2.779 4.598 4.129 1.00 0.00 C ATOM 257 C GLY A 19 1.306 4.948 4.060 1.00 0.00 C ATOM 258 O GLY A 19 0.900 6.043 4.448 1.00 0.00 O ATOM 0 H GLY A 19 3.367 5.683 5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.166 4.456 3.120 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.903 3.651 4.655 1.00 0.00 H new ATOM 262 N ARG A 20 0.508 4.023 3.560 1.00 0.00 N ATOM 263 CA ARG A 20 -0.918 4.225 3.429 1.00 0.00 C ATOM 264 C ARG A 20 -1.606 2.886 3.208 1.00 0.00 C ATOM 265 O ARG A 20 -0.947 1.849 3.143 1.00 0.00 O ATOM 266 CB ARG A 20 -1.187 5.166 2.263 1.00 0.00 C ATOM 267 CG ARG A 20 -0.831 4.557 0.928 1.00 0.00 C ATOM 268 CD ARG A 20 -1.867 4.877 -0.130 1.00 0.00 C ATOM 269 NE ARG A 20 -1.417 5.931 -1.036 1.00 0.00 N ATOM 270 CZ ARG A 20 -0.320 5.849 -1.788 1.00 0.00 C ATOM 271 NH1 ARG A 20 0.438 4.758 -1.761 1.00 0.00 N ATOM 272 NH2 ARG A 20 0.016 6.860 -2.576 1.00 0.00 N ATOM 0 H ARG A 20 0.832 3.112 3.234 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.315 4.671 4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.241 5.444 2.261 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.616 6.084 2.403 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.143 4.928 0.607 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.741 3.476 1.034 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.090 3.977 -0.703 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.795 5.185 0.352 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.977 6.782 -1.097 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.182 3.974 -1.161 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.276 4.705 -2.340 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.565 7.698 -2.606 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.855 6.800 -3.153 1.00 0.00 H new ATOM 286 N CYS A 21 -2.917 2.910 3.048 1.00 0.00 N ATOM 287 CA CYS A 21 -3.658 1.696 2.785 1.00 0.00 C ATOM 288 C CYS A 21 -3.479 1.307 1.322 1.00 0.00 C ATOM 289 O CYS A 21 -3.430 2.175 0.451 1.00 0.00 O ATOM 290 CB CYS A 21 -5.122 1.926 3.093 1.00 0.00 C ATOM 291 SG CYS A 21 -5.551 1.757 4.857 1.00 0.00 S ATOM 0 H CYS A 21 -3.486 3.755 3.096 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.287 0.888 3.416 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.400 2.925 2.757 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.718 1.219 2.516 1.00 0.00 H new ATOM 296 N PHE A 22 -3.350 0.015 1.049 1.00 0.00 N ATOM 297 CA PHE A 22 -3.137 -0.444 -0.323 1.00 0.00 C ATOM 298 C PHE A 22 -4.247 -1.365 -0.819 1.00 0.00 C ATOM 299 O PHE A 22 -4.458 -1.486 -2.026 1.00 0.00 O ATOM 300 CB PHE A 22 -1.789 -1.150 -0.414 1.00 0.00 C ATOM 301 CG PHE A 22 -0.680 -0.167 -0.615 1.00 0.00 C ATOM 302 CD1 PHE A 22 -0.449 0.813 0.332 1.00 0.00 C ATOM 303 CD2 PHE A 22 0.108 -0.200 -1.751 1.00 0.00 C ATOM 304 CE1 PHE A 22 0.552 1.742 0.150 1.00 0.00 C ATOM 305 CE2 PHE A 22 1.112 0.729 -1.935 1.00 0.00 C ATOM 306 CZ PHE A 22 1.333 1.701 -0.984 1.00 0.00 C ATOM 0 H PHE A 22 -3.388 -0.728 1.747 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.150 0.434 -0.968 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.612 -1.722 0.497 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.803 -1.862 -1.239 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.059 0.851 1.223 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.064 -0.959 -2.500 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.724 2.503 0.897 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.724 0.694 -2.824 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.117 2.430 -1.127 1.00 0.00 H new ATOM 316 N GLY A 23 -4.956 -2.017 0.098 1.00 0.00 N ATOM 317 CA GLY A 23 -6.018 -2.913 -0.321 1.00 0.00 C ATOM 318 C GLY A 23 -6.880 -3.438 0.817 1.00 0.00 C ATOM 319 O GLY A 23 -7.665 -2.688 1.397 1.00 0.00 O ATOM 0 H GLY A 23 -4.818 -1.943 1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.657 -2.392 -1.034 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.577 -3.759 -0.847 1.00 0.00 H new ATOM 323 N PRO A 24 -6.781 -4.744 1.137 1.00 0.00 N ATOM 324 CA PRO A 24 -7.578 -5.375 2.181 1.00 0.00 C ATOM 325 C PRO A 24 -6.828 -5.494 3.499 1.00 0.00 C ATOM 326 O PRO A 24 -5.985 -6.375 3.661 1.00 0.00 O ATOM 327 CB PRO A 24 -7.812 -6.754 1.578 1.00 0.00 C ATOM 328 CG PRO A 24 -6.537 -7.063 0.856 1.00 0.00 C ATOM 329 CD PRO A 24 -5.903 -5.737 0.486 1.00 0.00 C ATOM 0 HA PRO A 24 -8.479 -4.815 2.431 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.022 -7.495 2.349 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.664 -6.752 0.898 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.868 -7.647 1.488 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.734 -7.658 -0.036 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.878 -5.666 0.850 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.868 -5.596 -0.594 1.00 0.00 H new ATOM 337 N SER A 25 -7.121 -4.600 4.440 1.00 0.00 N ATOM 338 CA SER A 25 -6.441 -4.625 5.730 1.00 0.00 C ATOM 339 C SER A 25 -4.935 -4.572 5.525 1.00 0.00 C ATOM 340 O SER A 25 -4.167 -4.995 6.390 1.00 0.00 O ATOM 341 CB SER A 25 -6.791 -5.902 6.498 1.00 0.00 C ATOM 342 OG SER A 25 -6.987 -5.640 7.880 1.00 0.00 O ATOM 0 H SER A 25 -7.815 -3.860 4.336 1.00 0.00 H new ATOM 0 HA SER A 25 -6.768 -3.758 6.304 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.695 -6.344 6.079 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.992 -6.633 6.375 1.00 0.00 H new ATOM 0 HG SER A 25 -7.211 -6.474 8.343 1.00 0.00 H new ATOM 348 N ILE A 26 -4.514 -4.083 4.365 1.00 0.00 N ATOM 349 CA ILE A 26 -3.104 -4.026 4.050 1.00 0.00 C ATOM 350 C ILE A 26 -2.551 -2.609 4.082 1.00 0.00 C ATOM 351 O ILE A 26 -3.290 -1.623 4.092 1.00 0.00 O ATOM 352 CB ILE A 26 -2.818 -4.672 2.675 1.00 0.00 C ATOM 353 CG1 ILE A 26 -1.439 -5.307 2.661 1.00 0.00 C ATOM 354 CG2 ILE A 26 -2.931 -3.663 1.546 1.00 0.00 C ATOM 355 CD1 ILE A 26 -1.357 -6.498 1.729 1.00 0.00 C ATOM 0 H ILE A 26 -5.129 -3.724 3.635 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.593 -4.593 4.828 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.572 -5.443 2.516 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.703 -4.562 2.359 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.178 -5.622 3.671 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.723 -4.155 0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.939 -3.249 1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.212 -2.859 1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.350 -6.914 1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.072 -7.257 2.045 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.590 -6.181 0.712 1.00 0.00 H new ATOM 367 N CYS A 27 -1.233 -2.546 4.086 1.00 0.00 N ATOM 368 CA CYS A 27 -0.497 -1.310 4.108 1.00 0.00 C ATOM 369 C CYS A 27 0.862 -1.550 3.469 1.00 0.00 C ATOM 370 O CYS A 27 1.457 -2.610 3.657 1.00 0.00 O ATOM 371 CB CYS A 27 -0.363 -0.837 5.537 1.00 0.00 C ATOM 372 SG CYS A 27 -1.259 0.703 5.888 1.00 0.00 S ATOM 0 H CYS A 27 -0.638 -3.374 4.074 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.016 -0.534 3.546 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.728 -1.618 6.204 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.693 -0.691 5.764 1.00 0.00 H new ATOM 377 N CYS A 28 1.339 -0.599 2.688 1.00 0.00 N ATOM 378 CA CYS A 28 2.591 -0.779 1.999 1.00 0.00 C ATOM 379 C CYS A 28 3.371 0.521 1.893 1.00 0.00 C ATOM 380 O CYS A 28 3.063 1.347 1.034 1.00 0.00 O ATOM 381 CB CYS A 28 2.285 -1.303 0.592 1.00 0.00 C ATOM 382 SG CYS A 28 3.085 -2.874 0.122 1.00 0.00 S ATOM 0 H CYS A 28 0.880 0.296 2.519 1.00 0.00 H new ATOM 0 HA CYS A 28 3.204 -1.483 2.561 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.206 -1.428 0.501 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.580 -0.540 -0.129 1.00 0.00 H new ATOM 387 N GLY A 29 4.374 0.732 2.737 1.00 0.00 N ATOM 388 CA GLY A 29 5.120 1.917 2.623 1.00 0.00 C ATOM 389 C GLY A 29 6.265 1.695 1.667 1.00 0.00 C ATOM 390 O GLY A 29 7.099 0.830 1.921 1.00 0.00 O ATOM 0 H GLY A 29 4.663 0.097 3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.485 2.727 2.266 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.500 2.217 3.600 1.00 0.00 H new ATOM 394 N ASP A 30 6.313 2.418 0.549 1.00 0.00 N ATOM 395 CA ASP A 30 7.393 2.212 -0.413 1.00 0.00 C ATOM 396 C ASP A 30 8.697 2.468 0.308 1.00 0.00 C ATOM 397 O ASP A 30 9.536 1.580 0.448 1.00 0.00 O ATOM 398 CB ASP A 30 7.253 3.153 -1.610 1.00 0.00 C ATOM 399 CG ASP A 30 8.021 2.660 -2.822 1.00 0.00 C ATOM 400 OD1 ASP A 30 8.976 1.873 -2.641 1.00 0.00 O ATOM 401 OD2 ASP A 30 7.669 3.058 -3.951 1.00 0.00 O ATOM 0 H ASP A 30 5.634 3.135 0.291 1.00 0.00 H new ATOM 0 HA ASP A 30 7.358 1.194 -0.801 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.199 3.256 -1.868 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.612 4.145 -1.334 1.00 0.00 H new ATOM 406 N GLU A 31 8.807 3.657 0.855 1.00 0.00 N ATOM 407 CA GLU A 31 9.934 4.018 1.670 1.00 0.00 C ATOM 408 C GLU A 31 9.677 3.524 3.091 1.00 0.00 C ATOM 409 O GLU A 31 10.222 4.065 4.053 1.00 0.00 O ATOM 410 CB GLU A 31 10.074 5.532 1.693 1.00 0.00 C ATOM 411 CG GLU A 31 8.819 6.231 2.204 1.00 0.00 C ATOM 412 CD GLU A 31 9.125 7.562 2.858 1.00 0.00 C ATOM 413 OE1 GLU A 31 10.114 7.638 3.618 1.00 0.00 O ATOM 414 OE2 GLU A 31 8.374 8.530 2.614 1.00 0.00 O ATOM 0 H GLU A 31 8.115 4.398 0.745 1.00 0.00 H new ATOM 0 HA GLU A 31 10.845 3.573 1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.920 5.805 2.324 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.299 5.887 0.687 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.130 6.387 1.374 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.313 5.585 2.921 1.00 0.00 H new ATOM 421 N LEU A 32 8.766 2.555 3.223 1.00 0.00 N ATOM 422 CA LEU A 32 8.357 2.079 4.529 1.00 0.00 C ATOM 423 C LEU A 32 7.897 0.619 4.528 1.00 0.00 C ATOM 424 O LEU A 32 7.031 0.240 5.306 1.00 0.00 O ATOM 425 CB LEU A 32 7.245 3.019 4.979 1.00 0.00 C ATOM 426 CG LEU A 32 6.618 2.808 6.351 1.00 0.00 C ATOM 427 CD1 LEU A 32 5.225 2.255 6.168 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.453 1.913 7.268 1.00 0.00 C ATOM 0 H LEU A 32 8.305 2.093 2.439 1.00 0.00 H new ATOM 0 HA LEU A 32 9.203 2.089 5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.639 4.035 4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.447 2.964 4.239 1.00 0.00 H new ATOM 0 HG LEU A 32 6.576 3.775 6.853 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.764 2.099 7.144 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.626 2.961 5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.278 1.305 5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.949 1.805 8.228 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.573 0.932 6.808 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.433 2.364 7.422 1.00 0.00 H new ATOM 440 N GLY A 33 8.504 -0.197 3.672 1.00 0.00 N ATOM 441 CA GLY A 33 8.169 -1.620 3.603 1.00 0.00 C ATOM 442 C GLY A 33 6.676 -1.920 3.673 1.00 0.00 C ATOM 443 O GLY A 33 5.852 -1.013 3.797 1.00 0.00 O ATOM 0 H GLY A 33 9.228 0.099 3.018 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.566 -2.030 2.674 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.670 -2.139 4.420 1.00 0.00 H new ATOM 447 N CYS A 34 6.323 -3.203 3.546 1.00 0.00 N ATOM 448 CA CYS A 34 4.921 -3.601 3.546 1.00 0.00 C ATOM 449 C CYS A 34 4.531 -4.479 4.718 1.00 0.00 C ATOM 450 O CYS A 34 5.205 -5.454 5.047 1.00 0.00 O ATOM 451 CB CYS A 34 4.578 -4.332 2.261 1.00 0.00 C ATOM 452 SG CYS A 34 2.865 -4.077 1.729 1.00 0.00 S ATOM 0 H CYS A 34 6.984 -3.973 3.443 1.00 0.00 H new ATOM 0 HA CYS A 34 4.357 -2.672 3.632 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.250 -3.999 1.471 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.753 -5.399 2.400 1.00 0.00 H new ATOM 457 N PHE A 35 3.403 -4.125 5.316 1.00 0.00 N ATOM 458 CA PHE A 35 2.840 -4.866 6.433 1.00 0.00 C ATOM 459 C PHE A 35 1.350 -5.101 6.192 1.00 0.00 C ATOM 460 O PHE A 35 0.607 -4.147 5.970 1.00 0.00 O ATOM 461 CB PHE A 35 3.031 -4.103 7.744 1.00 0.00 C ATOM 462 CG PHE A 35 4.240 -3.221 7.786 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.389 -2.196 6.870 1.00 0.00 C ATOM 464 CD2 PHE A 35 5.225 -3.416 8.740 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.492 -1.381 6.896 1.00 0.00 C ATOM 466 CE2 PHE A 35 6.341 -2.595 8.772 1.00 0.00 C ATOM 467 CZ PHE A 35 6.471 -1.575 7.845 1.00 0.00 C ATOM 0 H PHE A 35 2.851 -3.313 5.039 1.00 0.00 H new ATOM 0 HA PHE A 35 3.358 -5.822 6.510 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.146 -3.492 7.925 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.094 -4.822 8.561 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.626 -2.035 6.123 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.123 -4.212 9.463 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.593 -0.586 6.172 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.107 -2.750 9.518 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.339 -0.932 7.866 1.00 0.00 H new ATOM 477 N VAL A 36 0.897 -6.346 6.251 1.00 0.00 N ATOM 478 CA VAL A 36 -0.521 -6.621 6.049 1.00 0.00 C ATOM 479 C VAL A 36 -1.240 -6.663 7.384 1.00 0.00 C ATOM 480 O VAL A 36 -1.158 -7.644 8.122 1.00 0.00 O ATOM 481 CB VAL A 36 -0.766 -7.939 5.291 1.00 0.00 C ATOM 482 CG1 VAL A 36 -2.178 -7.971 4.712 1.00 0.00 C ATOM 483 CG2 VAL A 36 0.277 -8.121 4.196 1.00 0.00 C ATOM 0 H VAL A 36 1.475 -7.166 6.433 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.916 -5.811 5.436 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.672 -8.768 5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.332 -8.910 4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.905 -7.888 5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.307 -7.138 4.021 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.091 -9.057 3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.216 -7.290 3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.271 -8.147 4.641 1.00 0.00 H new ATOM 493 N GLY A 37 -1.931 -5.574 7.692 1.00 0.00 N ATOM 494 CA GLY A 37 -2.647 -5.481 8.954 1.00 0.00 C ATOM 495 C GLY A 37 -1.717 -5.615 10.152 1.00 0.00 C ATOM 496 O GLY A 37 -2.153 -5.929 11.259 1.00 0.00 O ATOM 0 H GLY A 37 -2.010 -4.752 7.093 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.168 -4.525 9.005 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.407 -6.261 8.997 1.00 0.00 H new ATOM 500 N THR A 38 -0.429 -5.388 9.912 1.00 0.00 N ATOM 501 CA THR A 38 0.598 -5.480 10.945 1.00 0.00 C ATOM 502 C THR A 38 0.672 -4.181 11.742 1.00 0.00 C ATOM 503 O THR A 38 0.014 -3.198 11.400 1.00 0.00 O ATOM 504 CB THR A 38 1.944 -5.744 10.268 1.00 0.00 C ATOM 505 OG1 THR A 38 1.787 -6.612 9.156 1.00 0.00 O ATOM 506 CG2 THR A 38 3.012 -6.338 11.161 1.00 0.00 C ATOM 0 H THR A 38 -0.067 -5.134 8.993 1.00 0.00 H new ATOM 0 HA THR A 38 0.352 -6.291 11.631 1.00 0.00 H new ATOM 0 HB THR A 38 2.284 -4.752 9.971 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.650 -7.019 8.934 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.926 -6.486 10.586 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.211 -5.660 11.991 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.669 -7.296 11.550 1.00 0.00 H new ATOM 514 N ALA A 39 1.496 -4.170 12.788 1.00 0.00 N ATOM 515 CA ALA A 39 1.677 -2.981 13.616 1.00 0.00 C ATOM 516 C ALA A 39 1.812 -1.722 12.756 1.00 0.00 C ATOM 517 O ALA A 39 1.061 -0.769 12.913 1.00 0.00 O ATOM 518 CB ALA A 39 2.898 -3.149 14.511 1.00 0.00 C ATOM 0 H ALA A 39 2.050 -4.974 13.082 1.00 0.00 H new ATOM 0 HA ALA A 39 0.792 -2.863 14.241 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.025 -2.257 15.125 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.760 -4.017 15.156 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.785 -3.294 13.894 1.00 0.00 H new ATOM 524 N GLU A 40 2.770 -1.728 11.840 1.00 0.00 N ATOM 525 CA GLU A 40 2.991 -0.588 10.955 1.00 0.00 C ATOM 526 C GLU A 40 1.881 -0.463 9.900 1.00 0.00 C ATOM 527 O GLU A 40 1.846 0.505 9.139 1.00 0.00 O ATOM 528 CB GLU A 40 4.354 -0.720 10.279 1.00 0.00 C ATOM 529 CG GLU A 40 5.411 0.225 10.833 1.00 0.00 C ATOM 530 CD GLU A 40 6.356 -0.458 11.804 1.00 0.00 C ATOM 531 OE1 GLU A 40 5.945 -0.706 12.958 1.00 0.00 O ATOM 532 OE2 GLU A 40 7.507 -0.742 11.412 1.00 0.00 O ATOM 0 H GLU A 40 3.408 -2.509 11.688 1.00 0.00 H new ATOM 0 HA GLU A 40 2.969 0.319 11.559 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.705 -1.746 10.388 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.239 -0.534 9.211 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.986 0.645 10.007 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.920 1.058 11.336 1.00 0.00 H new ATOM 539 N ALA A 41 0.999 -1.461 9.839 1.00 0.00 N ATOM 540 CA ALA A 41 -0.091 -1.480 8.861 1.00 0.00 C ATOM 541 C ALA A 41 -1.451 -1.129 9.465 1.00 0.00 C ATOM 542 O ALA A 41 -2.403 -0.846 8.738 1.00 0.00 O ATOM 543 CB ALA A 41 -0.187 -2.859 8.252 1.00 0.00 C ATOM 0 H ALA A 41 1.018 -2.271 10.458 1.00 0.00 H new ATOM 0 HA ALA A 41 0.145 -0.722 8.115 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.997 -2.879 7.523 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.753 -3.104 7.757 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.386 -3.590 9.036 1.00 0.00 H new ATOM 549 N LEU A 42 -1.553 -1.198 10.784 1.00 0.00 N ATOM 550 CA LEU A 42 -2.814 -0.932 11.476 1.00 0.00 C ATOM 551 C LEU A 42 -3.518 0.342 11.019 1.00 0.00 C ATOM 552 O LEU A 42 -4.715 0.492 11.248 1.00 0.00 O ATOM 553 CB LEU A 42 -2.618 -0.892 12.995 1.00 0.00 C ATOM 554 CG LEU A 42 -1.461 -0.037 13.529 1.00 0.00 C ATOM 555 CD1 LEU A 42 -0.881 0.868 12.454 1.00 0.00 C ATOM 556 CD2 LEU A 42 -1.925 0.791 14.715 1.00 0.00 C ATOM 0 H LEU A 42 -0.777 -1.436 11.402 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.463 -1.766 11.207 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.542 -0.530 13.446 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.472 -1.914 13.344 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.671 -0.717 13.849 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.065 1.456 12.874 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.504 0.260 11.631 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.657 1.538 12.084 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.095 1.393 15.085 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.739 1.446 14.405 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.274 0.128 15.507 1.00 0.00 H new ATOM 568 N ARG A 43 -2.803 1.255 10.376 1.00 0.00 N ATOM 569 CA ARG A 43 -3.420 2.492 9.912 1.00 0.00 C ATOM 570 C ARG A 43 -4.693 2.212 9.121 1.00 0.00 C ATOM 571 O ARG A 43 -5.584 3.060 9.035 1.00 0.00 O ATOM 572 CB ARG A 43 -2.442 3.293 9.068 1.00 0.00 C ATOM 573 CG ARG A 43 -2.101 4.644 9.671 1.00 0.00 C ATOM 574 CD ARG A 43 -1.384 4.489 11.003 1.00 0.00 C ATOM 575 NE ARG A 43 -0.239 5.388 11.115 1.00 0.00 N ATOM 576 CZ ARG A 43 0.068 6.075 12.214 1.00 0.00 C ATOM 577 NH1 ARG A 43 -0.674 5.966 13.310 1.00 0.00 N ATOM 578 NH2 ARG A 43 1.127 6.872 12.218 1.00 0.00 N ATOM 0 H ARG A 43 -1.809 1.166 10.165 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.689 3.079 10.790 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.525 2.717 8.940 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.866 3.442 8.075 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.472 5.205 8.980 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.014 5.223 9.812 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.082 4.688 11.816 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.048 3.458 11.116 1.00 0.00 H new ATOM 0 HE ARG A 43 0.364 5.497 10.300 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.488 5.352 13.316 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.430 6.497 14.146 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.704 6.958 11.381 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.365 7.400 13.058 1.00 0.00 H new ATOM 592 N CYS A 44 -4.785 1.013 8.559 1.00 0.00 N ATOM 593 CA CYS A 44 -5.956 0.631 7.795 1.00 0.00 C ATOM 594 C CYS A 44 -7.128 0.311 8.717 1.00 0.00 C ATOM 595 O CYS A 44 -8.215 -0.029 8.251 1.00 0.00 O ATOM 596 CB CYS A 44 -5.638 -0.543 6.872 1.00 0.00 C ATOM 597 SG CYS A 44 -5.968 -0.221 5.101 1.00 0.00 S ATOM 0 H CYS A 44 -4.064 0.294 8.620 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.249 1.476 7.172 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.588 -0.809 6.991 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.224 -1.407 7.187 1.00 0.00 H new ATOM 804 N LYS A 59 2.396 1.555 -8.331 1.00 0.00 N ATOM 805 CA LYS A 59 3.088 1.617 -9.606 1.00 0.00 C ATOM 806 C LYS A 59 3.310 0.203 -10.163 1.00 0.00 C ATOM 807 O LYS A 59 4.131 -0.549 -9.647 1.00 0.00 O ATOM 808 CB LYS A 59 4.410 2.361 -9.421 1.00 0.00 C ATOM 809 CG LYS A 59 5.029 2.190 -8.044 1.00 0.00 C ATOM 810 CD LYS A 59 4.723 3.390 -7.160 1.00 0.00 C ATOM 811 CE LYS A 59 4.524 2.993 -5.701 1.00 0.00 C ATOM 812 NZ LYS A 59 5.540 2.003 -5.241 1.00 0.00 N ATOM 0 HA LYS A 59 2.481 2.160 -10.331 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.119 2.013 -10.172 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.246 3.423 -9.605 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.645 1.282 -7.578 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.108 2.068 -8.138 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.539 4.109 -7.231 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.825 3.889 -7.525 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.577 3.883 -5.074 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.526 2.573 -5.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.325 1.712 -4.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.520 1.170 -5.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.485 2.436 -5.272 1.00 0.00 H new ATOM 826 N PRO A 60 2.538 -0.189 -11.195 1.00 0.00 N ATOM 827 CA PRO A 60 2.587 -1.531 -11.801 1.00 0.00 C ATOM 828 C PRO A 60 3.960 -2.191 -11.954 1.00 0.00 C ATOM 829 O PRO A 60 4.990 -1.529 -12.077 1.00 0.00 O ATOM 830 CB PRO A 60 1.968 -1.291 -13.171 1.00 0.00 C ATOM 831 CG PRO A 60 0.938 -0.248 -12.923 1.00 0.00 C ATOM 832 CD PRO A 60 1.495 0.641 -11.840 1.00 0.00 C ATOM 0 HA PRO A 60 2.079 -2.240 -11.147 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.713 -0.953 -13.892 1.00 0.00 H new ATOM 0 HB3 PRO A 60 1.525 -2.202 -13.574 1.00 0.00 H new ATOM 0 HG2 PRO A 60 0.735 0.322 -13.829 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.005 -0.698 -12.612 1.00 0.00 H new ATOM 0 HD2 PRO A 60 1.914 1.558 -12.253 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.723 0.935 -11.129 1.00 0.00 H new ATOM 840 N CYS A 61 3.916 -3.535 -12.005 1.00 0.00 N ATOM 841 CA CYS A 61 5.090 -4.378 -12.205 1.00 0.00 C ATOM 842 C CYS A 61 4.679 -5.802 -12.581 1.00 0.00 C ATOM 843 O CYS A 61 3.593 -6.276 -12.227 1.00 0.00 O ATOM 844 CB CYS A 61 6.009 -4.430 -10.980 1.00 0.00 C ATOM 845 SG CYS A 61 5.228 -3.975 -9.399 1.00 0.00 S ATOM 0 H CYS A 61 3.050 -4.064 -11.906 1.00 0.00 H new ATOM 0 HA CYS A 61 5.650 -3.920 -13.021 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.410 -5.439 -10.890 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.855 -3.765 -11.153 1.00 0.00 H new ATOM 850 N GLY A 62 5.568 -6.477 -13.299 1.00 0.00 N ATOM 851 CA GLY A 62 5.315 -7.834 -13.736 1.00 0.00 C ATOM 852 C GLY A 62 5.263 -8.848 -12.604 1.00 0.00 C ATOM 853 O GLY A 62 5.164 -10.050 -12.854 1.00 0.00 O ATOM 0 H GLY A 62 6.471 -6.101 -13.589 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.369 -7.860 -14.277 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.093 -8.130 -14.439 1.00 0.00 H new ATOM 857 N SER A 63 5.337 -8.382 -11.360 1.00 0.00 N ATOM 858 CA SER A 63 5.301 -9.272 -10.222 1.00 0.00 C ATOM 859 C SER A 63 3.869 -9.487 -9.735 1.00 0.00 C ATOM 860 O SER A 63 3.562 -9.294 -8.559 1.00 0.00 O ATOM 861 CB SER A 63 6.173 -8.726 -9.091 1.00 0.00 C ATOM 862 OG SER A 63 6.471 -9.734 -8.141 1.00 0.00 O ATOM 0 H SER A 63 5.422 -7.394 -11.123 1.00 0.00 H new ATOM 0 HA SER A 63 5.698 -10.237 -10.536 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.099 -8.326 -9.503 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.660 -7.900 -8.599 1.00 0.00 H new ATOM 0 HG SER A 63 5.692 -10.319 -8.029 1.00 0.00 H new ATOM 868 N GLY A 64 3.003 -9.901 -10.655 1.00 0.00 N ATOM 869 CA GLY A 64 1.617 -10.161 -10.322 1.00 0.00 C ATOM 870 C GLY A 64 0.916 -8.993 -9.668 1.00 0.00 C ATOM 871 O GLY A 64 0.034 -9.177 -8.830 1.00 0.00 O ATOM 0 H GLY A 64 3.241 -10.062 -11.634 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.080 -10.432 -11.231 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.569 -11.021 -9.654 1.00 0.00 H new ATOM 875 N GLY A 65 1.297 -7.795 -10.058 1.00 0.00 N ATOM 876 CA GLY A 65 0.682 -6.610 -9.509 1.00 0.00 C ATOM 877 C GLY A 65 1.470 -5.348 -9.705 1.00 0.00 C ATOM 878 O GLY A 65 2.248 -5.222 -10.647 1.00 0.00 O ATOM 0 H GLY A 65 2.026 -7.618 -10.749 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.301 -6.483 -9.963 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.523 -6.761 -8.441 1.00 0.00 H new ATOM 882 N ARG A 66 1.252 -4.397 -8.813 1.00 0.00 N ATOM 883 CA ARG A 66 1.934 -3.136 -8.894 1.00 0.00 C ATOM 884 C ARG A 66 2.838 -2.931 -7.698 1.00 0.00 C ATOM 885 O ARG A 66 2.590 -3.456 -6.618 1.00 0.00 O ATOM 886 CB ARG A 66 0.968 -1.961 -8.999 1.00 0.00 C ATOM 887 CG ARG A 66 -0.377 -2.283 -9.651 1.00 0.00 C ATOM 888 CD ARG A 66 -0.212 -3.067 -10.944 1.00 0.00 C ATOM 889 NE ARG A 66 -1.446 -3.153 -11.715 1.00 0.00 N ATOM 890 CZ ARG A 66 -1.587 -3.922 -12.793 1.00 0.00 C ATOM 891 NH1 ARG A 66 -0.587 -4.697 -13.200 1.00 0.00 N ATOM 892 NH2 ARG A 66 -2.730 -3.923 -13.460 1.00 0.00 N ATOM 0 H ARG A 66 0.607 -4.483 -8.028 1.00 0.00 H new ATOM 0 HA ARG A 66 2.532 -3.169 -9.805 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.785 -1.571 -7.998 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.449 -1.165 -9.568 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.989 -2.857 -8.955 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.912 -1.355 -9.855 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.559 -2.596 -11.553 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.136 -4.073 -10.711 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.244 -2.594 -11.413 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.294 -4.705 -12.686 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.701 -5.284 -14.026 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.503 -3.335 -13.148 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.838 -4.512 -14.286 1.00 0.00 H new ATOM 906 N CYS A 67 3.881 -2.152 -7.909 1.00 0.00 N ATOM 907 CA CYS A 67 4.843 -1.844 -6.878 1.00 0.00 C ATOM 908 C CYS A 67 4.169 -1.103 -5.745 1.00 0.00 C ATOM 909 O CYS A 67 3.103 -0.524 -5.927 1.00 0.00 O ATOM 910 CB CYS A 67 5.985 -1.029 -7.473 1.00 0.00 C ATOM 911 SG CYS A 67 7.356 -0.685 -6.324 1.00 0.00 S ATOM 0 H CYS A 67 4.083 -1.714 -8.808 1.00 0.00 H new ATOM 0 HA CYS A 67 5.256 -2.768 -6.473 1.00 0.00 H new ATOM 0 HB2 CYS A 67 6.380 -1.561 -8.339 1.00 0.00 H new ATOM 0 HB3 CYS A 67 5.586 -0.081 -7.835 1.00 0.00 H new ATOM 916 N ALA A 68 4.769 -1.146 -4.571 1.00 0.00 N ATOM 917 CA ALA A 68 4.180 -0.497 -3.421 1.00 0.00 C ATOM 918 C ALA A 68 5.228 -0.129 -2.360 1.00 0.00 C ATOM 919 O ALA A 68 5.786 0.969 -2.377 1.00 0.00 O ATOM 920 CB ALA A 68 3.101 -1.420 -2.863 1.00 0.00 C ATOM 0 H ALA A 68 5.655 -1.619 -4.391 1.00 0.00 H new ATOM 0 HA ALA A 68 3.735 0.451 -3.725 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.639 -0.955 -1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.343 -1.596 -3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.550 -2.370 -2.571 1.00 0.00 H new ATOM 926 N ALA A 69 5.447 -1.034 -1.420 1.00 0.00 N ATOM 927 CA ALA A 69 6.392 -0.824 -0.335 1.00 0.00 C ATOM 928 C ALA A 69 7.839 -1.015 -0.755 1.00 0.00 C ATOM 929 O ALA A 69 8.127 -1.150 -1.942 1.00 0.00 O ATOM 930 CB ALA A 69 6.076 -1.722 0.830 1.00 0.00 C ATOM 0 H ALA A 69 4.974 -1.937 -1.388 1.00 0.00 H new ATOM 0 HA ALA A 69 6.280 0.218 -0.036 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.796 -1.547 1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.071 -1.507 1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.132 -2.763 0.512 1.00 0.00 H new ATOM 936 N ALA A 70 8.759 -1.018 0.237 1.00 0.00 N ATOM 937 CA ALA A 70 10.178 -1.196 -0.057 1.00 0.00 C ATOM 938 C ALA A 70 10.346 -2.306 -1.049 1.00 0.00 C ATOM 939 O ALA A 70 10.426 -3.467 -0.663 1.00 0.00 O ATOM 940 CB ALA A 70 10.988 -1.549 1.180 1.00 0.00 C ATOM 0 H ALA A 70 8.539 -0.901 1.226 1.00 0.00 H new ATOM 0 HA ALA A 70 10.542 -0.247 -0.450 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.036 -1.670 0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.895 -0.750 1.916 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.614 -2.480 1.606 1.00 0.00 H new ATOM 946 N GLY A 71 10.341 -1.970 -2.321 1.00 0.00 N ATOM 947 CA GLY A 71 10.451 -2.993 -3.308 1.00 0.00 C ATOM 948 C GLY A 71 9.369 -4.027 -3.133 1.00 0.00 C ATOM 949 O GLY A 71 9.644 -5.198 -2.893 1.00 0.00 O ATOM 0 H GLY A 71 10.264 -1.018 -2.679 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.382 -2.553 -4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.429 -3.469 -3.237 1.00 0.00 H new ATOM 953 N ILE A 72 8.137 -3.593 -3.274 1.00 0.00 N ATOM 954 CA ILE A 72 7.006 -4.473 -3.151 1.00 0.00 C ATOM 955 C ILE A 72 6.108 -4.276 -4.348 1.00 0.00 C ATOM 956 O ILE A 72 6.040 -3.191 -4.907 1.00 0.00 O ATOM 957 CB ILE A 72 6.222 -4.247 -1.830 1.00 0.00 C ATOM 958 CG1 ILE A 72 6.954 -4.914 -0.657 1.00 0.00 C ATOM 959 CG2 ILE A 72 4.784 -4.758 -1.917 1.00 0.00 C ATOM 960 CD1 ILE A 72 6.581 -6.363 -0.412 1.00 0.00 C ATOM 0 H ILE A 72 7.895 -2.623 -3.476 1.00 0.00 H new ATOM 0 HA ILE A 72 7.369 -5.500 -3.119 1.00 0.00 H new ATOM 0 HB ILE A 72 6.174 -3.171 -1.661 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.027 -4.856 -0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.752 -4.344 0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.276 -4.578 -0.970 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.259 -4.234 -2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.790 -5.827 -2.128 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.149 -6.747 0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.515 -6.433 -0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.810 -6.953 -1.300 1.00 0.00 H new ATOM 972 N CYS A 73 5.442 -5.335 -4.728 1.00 0.00 N ATOM 973 CA CYS A 73 4.547 -5.332 -5.843 1.00 0.00 C ATOM 974 C CYS A 73 3.323 -6.100 -5.384 1.00 0.00 C ATOM 975 O CYS A 73 3.368 -7.318 -5.189 1.00 0.00 O ATOM 976 CB CYS A 73 5.241 -5.932 -7.085 1.00 0.00 C ATOM 977 SG CYS A 73 4.383 -5.679 -8.675 1.00 0.00 S ATOM 0 H CYS A 73 5.512 -6.238 -4.259 1.00 0.00 H new ATOM 0 HA CYS A 73 4.248 -4.331 -6.153 1.00 0.00 H new ATOM 0 HB2 CYS A 73 6.241 -5.504 -7.161 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.364 -7.003 -6.927 1.00 0.00 H new ATOM 982 N CYS A 74 2.276 -5.352 -5.068 1.00 0.00 N ATOM 983 CA CYS A 74 1.087 -5.931 -4.480 1.00 0.00 C ATOM 984 C CYS A 74 0.008 -6.367 -5.459 1.00 0.00 C ATOM 985 O CYS A 74 -0.063 -5.917 -6.600 1.00 0.00 O ATOM 986 CB CYS A 74 0.514 -4.938 -3.483 1.00 0.00 C ATOM 987 SG CYS A 74 -0.340 -5.708 -2.079 1.00 0.00 S ATOM 0 H CYS A 74 2.230 -4.343 -5.211 1.00 0.00 H new ATOM 0 HA CYS A 74 1.407 -6.858 -4.004 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.322 -4.312 -3.104 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.183 -4.280 -4.002 1.00 0.00 H new ATOM 992 N SER A 75 -0.848 -7.249 -4.940 1.00 0.00 N ATOM 993 CA SER A 75 -1.973 -7.800 -5.659 1.00 0.00 C ATOM 994 C SER A 75 -3.241 -7.616 -4.828 1.00 0.00 C ATOM 995 O SER A 75 -3.189 -7.049 -3.736 1.00 0.00 O ATOM 996 CB SER A 75 -1.744 -9.285 -5.961 1.00 0.00 C ATOM 997 OG SER A 75 -0.399 -9.531 -6.333 1.00 0.00 O ATOM 0 H SER A 75 -0.767 -7.601 -3.986 1.00 0.00 H new ATOM 0 HA SER A 75 -2.083 -7.275 -6.608 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.996 -9.880 -5.083 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.410 -9.602 -6.763 1.00 0.00 H new ATOM 0 HG SER A 75 -0.201 -9.065 -7.172 1.00 0.00 H new ATOM 1003 N PRO A 76 -4.400 -8.075 -5.323 1.00 0.00 N ATOM 1004 CA PRO A 76 -5.670 -7.935 -4.605 1.00 0.00 C ATOM 1005 C PRO A 76 -5.768 -8.866 -3.395 1.00 0.00 C ATOM 1006 O PRO A 76 -6.687 -8.745 -2.585 1.00 0.00 O ATOM 1007 CB PRO A 76 -6.721 -8.342 -5.648 1.00 0.00 C ATOM 1008 CG PRO A 76 -5.998 -8.397 -6.953 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.581 -8.741 -6.616 1.00 0.00 C ATOM 0 HA PRO A 76 -5.793 -6.926 -4.211 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -7.161 -9.309 -5.403 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -7.537 -7.620 -5.683 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.437 -9.146 -7.612 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.056 -7.441 -7.473 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.430 -9.818 -6.544 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.883 -8.370 -7.366 1.00 0.00 H new ATOM 1017 N ASP A 77 -4.823 -9.795 -3.278 1.00 0.00 N ATOM 1018 CA ASP A 77 -4.817 -10.745 -2.165 1.00 0.00 C ATOM 1019 C ASP A 77 -3.720 -10.414 -1.152 1.00 0.00 C ATOM 1020 O ASP A 77 -3.873 -10.670 0.043 1.00 0.00 O ATOM 1021 CB ASP A 77 -4.620 -12.169 -2.690 1.00 0.00 C ATOM 1022 CG ASP A 77 -5.843 -13.039 -2.480 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -6.098 -13.435 -1.323 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -6.547 -13.323 -3.471 1.00 0.00 O ATOM 0 H ASP A 77 -4.053 -9.912 -3.937 1.00 0.00 H new ATOM 0 HA ASP A 77 -5.780 -10.671 -1.660 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.383 -12.131 -3.753 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.765 -12.623 -2.189 1.00 0.00 H new ATOM 1029 N GLY A 78 -2.618 -9.849 -1.632 1.00 0.00 N ATOM 1030 CA GLY A 78 -1.523 -9.499 -0.758 1.00 0.00 C ATOM 1031 C GLY A 78 -0.313 -9.001 -1.518 1.00 0.00 C ATOM 1032 O GLY A 78 -0.248 -9.123 -2.743 1.00 0.00 O ATOM 0 H GLY A 78 -2.467 -9.628 -2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.851 -8.730 -0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.243 -10.370 -0.165 1.00 0.00 H new ATOM 1036 N CYS A 79 0.645 -8.422 -0.801 1.00 0.00 N ATOM 1037 CA CYS A 79 1.841 -7.904 -1.441 1.00 0.00 C ATOM 1038 C CYS A 79 2.999 -8.897 -1.400 1.00 0.00 C ATOM 1039 O CYS A 79 2.970 -9.886 -0.667 1.00 0.00 O ATOM 1040 CB CYS A 79 2.278 -6.591 -0.797 1.00 0.00 C ATOM 1041 SG CYS A 79 0.938 -5.379 -0.544 1.00 0.00 S ATOM 0 H CYS A 79 0.615 -8.302 0.211 1.00 0.00 H new ATOM 0 HA CYS A 79 1.581 -7.731 -2.485 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.737 -6.811 0.167 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.048 -6.136 -1.420 1.00 0.00 H new ATOM 1046 N GLU A 80 4.026 -8.599 -2.193 1.00 0.00 N ATOM 1047 CA GLU A 80 5.219 -9.419 -2.270 1.00 0.00 C ATOM 1048 C GLU A 80 6.422 -8.556 -2.644 1.00 0.00 C ATOM 1049 O GLU A 80 6.299 -7.645 -3.464 1.00 0.00 O ATOM 1050 CB GLU A 80 5.031 -10.542 -3.293 1.00 0.00 C ATOM 1051 CG GLU A 80 4.892 -10.048 -4.726 1.00 0.00 C ATOM 1052 CD GLU A 80 5.824 -10.767 -5.684 1.00 0.00 C ATOM 1053 OE1 GLU A 80 7.051 -10.556 -5.590 1.00 0.00 O ATOM 1054 OE2 GLU A 80 5.325 -11.539 -6.530 1.00 0.00 O ATOM 0 H GLU A 80 4.048 -7.779 -2.799 1.00 0.00 H new ATOM 0 HA GLU A 80 5.398 -9.870 -1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.881 -11.222 -3.233 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.144 -11.117 -3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.862 -10.185 -5.055 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.098 -8.978 -4.759 1.00 0.00 H new ATOM 1061 N GLU A 81 7.581 -8.822 -2.039 1.00 0.00 N ATOM 1062 CA GLU A 81 8.766 -8.043 -2.322 1.00 0.00 C ATOM 1063 C GLU A 81 9.157 -8.181 -3.778 1.00 0.00 C ATOM 1064 O GLU A 81 9.482 -9.272 -4.244 1.00 0.00 O ATOM 1065 CB GLU A 81 9.911 -8.475 -1.414 1.00 0.00 C ATOM 1066 CG GLU A 81 10.010 -9.967 -1.214 1.00 0.00 C ATOM 1067 CD GLU A 81 10.017 -10.364 0.249 1.00 0.00 C ATOM 1068 OE1 GLU A 81 9.081 -9.968 0.976 1.00 0.00 O ATOM 1069 OE2 GLU A 81 10.960 -11.066 0.669 1.00 0.00 O ATOM 0 H GLU A 81 7.714 -9.568 -1.356 1.00 0.00 H new ATOM 0 HA GLU A 81 8.547 -6.993 -2.126 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.850 -8.113 -1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.790 -7.996 -0.442 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.172 -10.452 -1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.920 -10.333 -1.690 1.00 0.00 H new ATOM 1076 N ASP A 82 9.114 -7.070 -4.498 1.00 0.00 N ATOM 1077 CA ASP A 82 9.442 -7.070 -5.899 1.00 0.00 C ATOM 1078 C ASP A 82 10.878 -6.593 -6.145 1.00 0.00 C ATOM 1079 O ASP A 82 11.204 -5.418 -5.979 1.00 0.00 O ATOM 1080 CB ASP A 82 8.432 -6.220 -6.674 1.00 0.00 C ATOM 1081 CG ASP A 82 8.378 -4.795 -6.196 1.00 0.00 C ATOM 1082 OD1 ASP A 82 9.220 -4.428 -5.364 1.00 0.00 O ATOM 1083 OD2 ASP A 82 7.503 -4.037 -6.665 1.00 0.00 O ATOM 0 H ASP A 82 8.853 -6.157 -4.125 1.00 0.00 H new ATOM 0 HA ASP A 82 9.384 -8.096 -6.262 1.00 0.00 H new ATOM 0 HB2 ASP A 82 8.690 -6.233 -7.733 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.442 -6.667 -6.582 1.00 0.00 H new ATOM 1088 N PRO A 83 11.753 -7.531 -6.546 1.00 0.00 N ATOM 1089 CA PRO A 83 13.154 -7.266 -6.843 1.00 0.00 C ATOM 1090 C PRO A 83 13.265 -6.204 -7.905 1.00 0.00 C ATOM 1091 O PRO A 83 14.304 -5.590 -8.118 1.00 0.00 O ATOM 1092 CB PRO A 83 13.666 -8.621 -7.343 1.00 0.00 C ATOM 1093 CG PRO A 83 12.747 -9.602 -6.716 1.00 0.00 C ATOM 1094 CD PRO A 83 11.415 -8.924 -6.734 1.00 0.00 C ATOM 0 HA PRO A 83 13.724 -6.895 -5.991 1.00 0.00 H new ATOM 0 HB2 PRO A 83 13.635 -8.683 -8.431 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.700 -8.793 -7.043 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.724 -10.538 -7.273 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.057 -9.844 -5.699 1.00 0.00 H new ATOM 0 HD2 PRO A 83 10.892 -9.088 -7.676 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.765 -9.292 -5.940 1.00 0.00 H new ATOM 1102 N ALA A 84 12.149 -5.974 -8.533 1.00 0.00 N ATOM 1103 CA ALA A 84 12.029 -4.974 -9.526 1.00 0.00 C ATOM 1104 C ALA A 84 12.036 -3.598 -8.885 1.00 0.00 C ATOM 1105 O ALA A 84 12.372 -2.599 -9.520 1.00 0.00 O ATOM 1106 CB ALA A 84 10.726 -5.214 -10.246 1.00 0.00 C ATOM 0 H ALA A 84 11.287 -6.491 -8.358 1.00 0.00 H new ATOM 0 HA ALA A 84 12.865 -5.017 -10.224 1.00 0.00 H new ATOM 0 HB1 ALA A 84 10.595 -4.461 -11.023 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.738 -6.205 -10.700 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.901 -5.150 -9.536 1.00 0.00 H new ATOM 1112 N CYS A 85 11.577 -3.551 -7.637 1.00 0.00 N ATOM 1113 CA CYS A 85 11.447 -2.295 -6.936 1.00 0.00 C ATOM 1114 C CYS A 85 12.423 -2.016 -5.762 1.00 0.00 C ATOM 1115 O CYS A 85 12.663 -0.834 -5.511 1.00 0.00 O ATOM 1116 CB CYS A 85 10.004 -2.115 -6.474 1.00 0.00 C ATOM 1117 SG CYS A 85 9.025 -0.937 -7.455 1.00 0.00 S ATOM 0 H CYS A 85 11.292 -4.370 -7.099 1.00 0.00 H new ATOM 0 HA CYS A 85 11.741 -1.554 -7.679 1.00 0.00 H new ATOM 0 HB2 CYS A 85 9.507 -3.085 -6.497 1.00 0.00 H new ATOM 0 HB3 CYS A 85 10.009 -1.784 -5.436 1.00 0.00 H new ATOM 1122 N ASP A 86 12.981 -3.006 -4.996 1.00 0.00 N ATOM 1123 CA ASP A 86 13.867 -2.561 -3.865 1.00 0.00 C ATOM 1124 C ASP A 86 14.454 -3.561 -2.820 1.00 0.00 C ATOM 1125 O ASP A 86 15.452 -3.215 -2.187 1.00 0.00 O ATOM 1126 CB ASP A 86 13.056 -1.608 -2.996 1.00 0.00 C ATOM 1127 CG ASP A 86 13.912 -0.640 -2.203 1.00 0.00 C ATOM 1128 OD1 ASP A 86 14.607 -1.091 -1.268 1.00 0.00 O ATOM 1129 OD2 ASP A 86 13.877 0.572 -2.506 1.00 0.00 O ATOM 0 H ASP A 86 12.856 -4.011 -5.116 1.00 0.00 H new ATOM 0 HA ASP A 86 14.728 -2.202 -4.429 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.373 -1.042 -3.630 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.444 -2.189 -2.306 1.00 0.00 H new ATOM 1134 N PRO A 87 13.826 -4.701 -2.477 1.00 0.00 N ATOM 1135 CA PRO A 87 14.283 -5.555 -1.376 1.00 0.00 C ATOM 1136 C PRO A 87 14.943 -6.807 -1.857 1.00 0.00 C ATOM 1137 O PRO A 87 16.164 -6.960 -1.820 1.00 0.00 O ATOM 1138 CB PRO A 87 12.949 -5.887 -0.689 1.00 0.00 C ATOM 1139 CG PRO A 87 11.892 -5.438 -1.655 1.00 0.00 C ATOM 1140 CD PRO A 87 12.588 -5.235 -2.971 1.00 0.00 C ATOM 0 HA PRO A 87 15.031 -5.078 -0.742 1.00 0.00 H new ATOM 0 HB2 PRO A 87 12.867 -6.954 -0.482 1.00 0.00 H new ATOM 0 HB3 PRO A 87 12.857 -5.369 0.266 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.102 -6.184 -1.743 1.00 0.00 H new ATOM 0 HG3 PRO A 87 11.422 -4.515 -1.317 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.720 -6.163 -3.528 1.00 0.00 H new ATOM 0 HD3 PRO A 87 12.060 -4.542 -3.626 1.00 0.00 H new ATOM 1148 N GLU A 88 14.106 -7.660 -2.393 1.00 0.00 N ATOM 1149 CA GLU A 88 14.556 -8.878 -2.999 1.00 0.00 C ATOM 1150 C GLU A 88 15.296 -8.446 -4.260 1.00 0.00 C ATOM 1151 O GLU A 88 15.947 -9.225 -4.956 1.00 0.00 O ATOM 1152 CB GLU A 88 13.348 -9.766 -3.326 1.00 0.00 C ATOM 1153 CG GLU A 88 13.711 -11.207 -3.635 1.00 0.00 C ATOM 1154 CD GLU A 88 12.499 -12.118 -3.666 1.00 0.00 C ATOM 1155 OE1 GLU A 88 11.735 -12.123 -2.678 1.00 0.00 O ATOM 1156 OE2 GLU A 88 12.312 -12.824 -4.679 1.00 0.00 O ATOM 0 H GLU A 88 13.095 -7.525 -2.419 1.00 0.00 H new ATOM 0 HA GLU A 88 15.206 -9.463 -2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.657 -9.748 -2.483 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.819 -9.343 -4.180 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.220 -11.252 -4.598 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.415 -11.570 -2.886 1.00 0.00 H new ATOM 1163 N ALA A 89 15.168 -7.139 -4.485 1.00 0.00 N ATOM 1164 CA ALA A 89 15.758 -6.403 -5.567 1.00 0.00 C ATOM 1165 C ALA A 89 17.241 -6.173 -5.344 1.00 0.00 C ATOM 1166 O ALA A 89 17.890 -6.849 -4.546 1.00 0.00 O ATOM 1167 CB ALA A 89 15.056 -5.053 -5.611 1.00 0.00 C ATOM 0 H ALA A 89 14.613 -6.543 -3.871 1.00 0.00 H new ATOM 0 HA ALA A 89 15.646 -6.963 -6.495 1.00 0.00 H new ATOM 0 HB1 ALA A 89 15.471 -4.453 -6.421 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.990 -5.203 -5.780 1.00 0.00 H new ATOM 0 HB3 ALA A 89 15.204 -4.535 -4.663 1.00 0.00 H new ATOM 1173 N ALA A 90 17.735 -5.152 -6.019 1.00 0.00 N ATOM 1174 CA ALA A 90 19.095 -4.713 -5.886 1.00 0.00 C ATOM 1175 C ALA A 90 19.244 -4.139 -4.495 1.00 0.00 C ATOM 1176 O ALA A 90 18.264 -4.094 -3.752 1.00 0.00 O ATOM 1177 CB ALA A 90 19.376 -3.628 -6.910 1.00 0.00 C ATOM 0 H ALA A 90 17.188 -4.602 -6.682 1.00 0.00 H new ATOM 0 HA ALA A 90 19.790 -5.538 -6.046 1.00 0.00 H new ATOM 0 HB1 ALA A 90 20.408 -3.293 -6.811 1.00 0.00 H new ATOM 0 HB2 ALA A 90 19.218 -4.024 -7.913 1.00 0.00 H new ATOM 0 HB3 ALA A 90 18.704 -2.787 -6.742 1.00 0.00 H new ATOM 1183 N PHE A 91 20.420 -3.652 -4.140 1.00 0.00 N ATOM 1184 CA PHE A 91 20.570 -3.046 -2.829 1.00 0.00 C ATOM 1185 C PHE A 91 19.894 -1.683 -2.883 1.00 0.00 C ATOM 1186 O PHE A 91 20.530 -0.640 -2.729 1.00 0.00 O ATOM 1187 CB PHE A 91 22.047 -2.898 -2.464 1.00 0.00 C ATOM 1188 CG PHE A 91 22.270 -2.561 -1.018 1.00 0.00 C ATOM 1189 CD1 PHE A 91 21.763 -3.375 -0.018 1.00 0.00 C ATOM 1190 CD2 PHE A 91 22.977 -1.425 -0.659 1.00 0.00 C ATOM 1191 CE1 PHE A 91 21.959 -3.063 1.314 1.00 0.00 C ATOM 1192 CE2 PHE A 91 23.175 -1.107 0.671 1.00 0.00 C ATOM 1193 CZ PHE A 91 22.665 -1.926 1.659 1.00 0.00 C ATOM 0 H PHE A 91 21.260 -3.662 -4.719 1.00 0.00 H new ATOM 0 HA PHE A 91 20.112 -3.674 -2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 91 22.567 -3.827 -2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 91 22.491 -2.119 -3.084 1.00 0.00 H new ATOM 0 HD1 PHE A 91 21.208 -4.263 -0.282 1.00 0.00 H new ATOM 0 HD2 PHE A 91 23.378 -0.781 -1.427 1.00 0.00 H new ATOM 0 HE1 PHE A 91 21.561 -3.707 2.084 1.00 0.00 H new ATOM 0 HE2 PHE A 91 23.728 -0.219 0.938 1.00 0.00 H new ATOM 0 HZ PHE A 91 22.818 -1.679 2.699 1.00 0.00 H new ATOM 1203 N SER A 92 18.585 -1.723 -3.128 1.00 0.00 N ATOM 1204 CA SER A 92 17.766 -0.533 -3.242 1.00 0.00 C ATOM 1205 C SER A 92 17.075 -0.215 -1.921 1.00 0.00 C ATOM 1206 O SER A 92 16.464 0.869 -1.820 1.00 0.00 O ATOM 1207 CB SER A 92 16.737 -0.733 -4.368 1.00 0.00 C ATOM 1208 OG SER A 92 15.588 0.069 -4.164 1.00 0.00 O ATOM 1209 OXT SER A 92 17.149 -1.055 -1.000 1.00 0.00 O ATOM 0 H SER A 92 18.066 -2.592 -3.253 1.00 0.00 H new ATOM 0 HA SER A 92 18.403 0.317 -3.486 1.00 0.00 H new ATOM 0 HB2 SER A 92 17.191 -0.484 -5.327 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.447 -1.783 -4.416 1.00 0.00 H new ATOM 0 HG SER A 92 15.709 0.616 -3.360 1.00 0.00 H new