USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 577 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0142 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.119 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -1.42 X(o=-1.4,f=-1.6) USER MOD Single : A 48 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.32) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 48:sc= 0.275 USER MOD Single : A 55 GLN : amide:sc= -8.16! C(o=-8.2!,f=-16!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0583 USER MOD Single : A 58 GLN : amide:sc= -6.74! C(o=-6.7!,f=-4!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -64:sc= -2.96! USER MOD Single : A 75 SER OG : rot 180:sc= -1.18 USER MOD Single : A 92 SER OG : rot -60:sc= -0.367 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.222 -19.672 -21.595 1.00 0.00 N ATOM 2 CA ALA A 1 0.282 -18.365 -21.082 1.00 0.00 C ATOM 3 C ALA A 1 0.235 -18.316 -19.556 1.00 0.00 C ATOM 4 O ALA A 1 -0.663 -17.711 -18.973 1.00 0.00 O ATOM 5 CB ALA A 1 -0.524 -17.214 -21.672 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.179 -19.677 -22.634 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.367 -20.443 -21.220 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.207 -19.809 -21.289 1.00 0.00 H new ATOM 0 HA ALA A 1 1.322 -18.262 -21.392 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.143 -16.268 -21.287 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.434 -17.226 -22.758 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.572 -17.323 -21.393 1.00 0.00 H new ATOM 13 N VAL A 2 1.208 -18.957 -18.916 1.00 0.00 N ATOM 14 CA VAL A 2 1.277 -18.987 -17.456 1.00 0.00 C ATOM 15 C VAL A 2 2.301 -17.974 -16.934 1.00 0.00 C ATOM 16 O VAL A 2 2.944 -17.274 -17.715 1.00 0.00 O ATOM 17 CB VAL A 2 1.630 -20.399 -16.932 1.00 0.00 C ATOM 18 CG1 VAL A 2 1.324 -20.522 -15.443 1.00 0.00 C ATOM 19 CG2 VAL A 2 0.880 -21.473 -17.713 1.00 0.00 C ATOM 0 H VAL A 2 1.960 -19.463 -19.384 1.00 0.00 H new ATOM 0 HA VAL A 2 0.288 -18.718 -17.084 1.00 0.00 H new ATOM 0 HB VAL A 2 2.700 -20.548 -17.078 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.581 -21.524 -15.100 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.909 -19.788 -14.889 1.00 0.00 H new ATOM 0 HG13 VAL A 2 0.262 -20.342 -15.274 1.00 0.00 H new ATOM 0 HG21 VAL A 2 1.145 -22.457 -17.326 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.194 -21.318 -17.606 1.00 0.00 H new ATOM 0 HG23 VAL A 2 1.152 -21.413 -18.767 1.00 0.00 H new ATOM 29 N LEU A 3 2.403 -17.864 -15.613 1.00 0.00 N ATOM 30 CA LEU A 3 3.288 -16.919 -14.967 1.00 0.00 C ATOM 31 C LEU A 3 4.748 -17.221 -15.208 1.00 0.00 C ATOM 32 O LEU A 3 5.108 -18.181 -15.882 1.00 0.00 O ATOM 33 CB LEU A 3 3.045 -16.962 -13.448 1.00 0.00 C ATOM 34 CG LEU A 3 2.192 -15.838 -12.870 1.00 0.00 C ATOM 35 CD1 LEU A 3 2.189 -14.679 -13.822 1.00 0.00 C ATOM 36 CD2 LEU A 3 0.771 -16.320 -12.611 1.00 0.00 C ATOM 0 H LEU A 3 1.866 -18.436 -14.961 1.00 0.00 H new ATOM 0 HA LEU A 3 3.069 -15.939 -15.391 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.570 -17.912 -13.204 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.012 -16.951 -12.946 1.00 0.00 H new ATOM 0 HG LEU A 3 2.616 -15.521 -11.917 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.580 -13.873 -13.412 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.210 -14.325 -13.967 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.775 -14.996 -14.779 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.179 -15.503 -12.199 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.324 -16.655 -13.547 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.791 -17.147 -11.902 1.00 0.00 H new ATOM 48 N ASP A 4 5.580 -16.397 -14.586 1.00 0.00 N ATOM 49 CA ASP A 4 7.004 -16.561 -14.650 1.00 0.00 C ATOM 50 C ASP A 4 7.388 -17.591 -13.601 1.00 0.00 C ATOM 51 O ASP A 4 7.264 -18.793 -13.828 1.00 0.00 O ATOM 52 CB ASP A 4 7.709 -15.221 -14.423 1.00 0.00 C ATOM 53 CG ASP A 4 9.216 -15.338 -14.497 1.00 0.00 C ATOM 54 OD1 ASP A 4 9.757 -15.322 -15.623 1.00 0.00 O ATOM 55 OD2 ASP A 4 9.858 -15.441 -13.430 1.00 0.00 O ATOM 0 H ASP A 4 5.275 -15.600 -14.026 1.00 0.00 H new ATOM 0 HA ASP A 4 7.315 -16.909 -15.635 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.367 -14.503 -15.169 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.426 -14.826 -13.447 1.00 0.00 H new ATOM 60 N LEU A 5 7.778 -17.119 -12.432 1.00 0.00 N ATOM 61 CA LEU A 5 8.089 -18.001 -11.330 1.00 0.00 C ATOM 62 C LEU A 5 6.789 -18.486 -10.698 1.00 0.00 C ATOM 63 O LEU A 5 6.366 -19.621 -10.884 1.00 0.00 O ATOM 64 CB LEU A 5 9.036 -17.336 -10.288 1.00 0.00 C ATOM 65 CG LEU A 5 8.513 -16.170 -9.419 1.00 0.00 C ATOM 66 CD1 LEU A 5 7.561 -15.271 -10.168 1.00 0.00 C ATOM 67 CD2 LEU A 5 7.918 -16.663 -8.098 1.00 0.00 C ATOM 0 H LEU A 5 7.886 -16.126 -12.224 1.00 0.00 H new ATOM 0 HA LEU A 5 8.638 -18.861 -11.714 1.00 0.00 H new ATOM 0 HB2 LEU A 5 9.379 -18.119 -9.612 1.00 0.00 H new ATOM 0 HB3 LEU A 5 9.912 -16.974 -10.827 1.00 0.00 H new ATOM 0 HG LEU A 5 9.380 -15.558 -9.170 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.224 -14.469 -9.511 1.00 0.00 H new ATOM 0 HD12 LEU A 5 8.069 -14.843 -11.032 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.701 -15.851 -10.503 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.563 -15.811 -7.519 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.085 -17.335 -8.303 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.682 -17.194 -7.531 1.00 0.00 H new ATOM 79 N ASP A 6 6.194 -17.600 -9.949 1.00 0.00 N ATOM 80 CA ASP A 6 4.974 -17.832 -9.245 1.00 0.00 C ATOM 81 C ASP A 6 4.236 -16.516 -9.018 1.00 0.00 C ATOM 82 O ASP A 6 3.035 -16.419 -9.242 1.00 0.00 O ATOM 83 CB ASP A 6 5.293 -18.503 -7.913 1.00 0.00 C ATOM 84 CG ASP A 6 4.559 -19.810 -7.728 1.00 0.00 C ATOM 85 OD1 ASP A 6 3.346 -19.852 -8.017 1.00 0.00 O ATOM 86 OD2 ASP A 6 5.200 -20.793 -7.300 1.00 0.00 O ATOM 0 H ASP A 6 6.565 -16.660 -9.810 1.00 0.00 H new ATOM 0 HA ASP A 6 4.328 -18.483 -9.834 1.00 0.00 H new ATOM 0 HB2 ASP A 6 6.366 -18.682 -7.849 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.033 -17.827 -7.099 1.00 0.00 H new ATOM 91 N VAL A 7 4.961 -15.514 -8.535 1.00 0.00 N ATOM 92 CA VAL A 7 4.378 -14.216 -8.229 1.00 0.00 C ATOM 93 C VAL A 7 4.694 -13.107 -9.246 1.00 0.00 C ATOM 94 O VAL A 7 4.283 -11.964 -9.056 1.00 0.00 O ATOM 95 CB VAL A 7 4.848 -13.744 -6.843 1.00 0.00 C ATOM 96 CG1 VAL A 7 4.334 -14.682 -5.766 1.00 0.00 C ATOM 97 CG2 VAL A 7 6.373 -13.637 -6.782 1.00 0.00 C ATOM 0 H VAL A 7 5.961 -15.578 -8.346 1.00 0.00 H new ATOM 0 HA VAL A 7 3.301 -14.377 -8.264 1.00 0.00 H new ATOM 0 HB VAL A 7 4.438 -12.750 -6.666 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.674 -14.336 -4.790 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.244 -14.697 -5.786 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.714 -15.687 -5.947 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.675 -13.301 -5.790 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.815 -14.613 -6.985 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.718 -12.921 -7.528 1.00 0.00 H new ATOM 107 N ARG A 8 5.451 -13.410 -10.291 1.00 0.00 N ATOM 108 CA ARG A 8 5.836 -12.419 -11.268 1.00 0.00 C ATOM 109 C ARG A 8 4.738 -12.165 -12.284 1.00 0.00 C ATOM 110 O ARG A 8 3.782 -12.929 -12.384 1.00 0.00 O ATOM 111 CB ARG A 8 7.105 -12.870 -11.967 1.00 0.00 C ATOM 112 CG ARG A 8 8.362 -12.524 -11.192 1.00 0.00 C ATOM 113 CD ARG A 8 9.605 -13.065 -11.878 1.00 0.00 C ATOM 114 NE ARG A 8 10.802 -12.323 -11.496 1.00 0.00 N ATOM 115 CZ ARG A 8 11.592 -12.651 -10.475 1.00 0.00 C ATOM 116 NH1 ARG A 8 11.328 -13.719 -9.733 1.00 0.00 N ATOM 117 NH2 ARG A 8 12.650 -11.906 -10.195 1.00 0.00 N ATOM 0 H ARG A 8 5.810 -14.346 -10.479 1.00 0.00 H new ATOM 0 HA ARG A 8 6.013 -11.479 -10.746 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.065 -13.948 -12.121 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.154 -12.408 -12.953 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.442 -11.442 -11.091 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.294 -12.934 -10.184 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.732 -14.117 -11.622 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.475 -13.013 -12.959 1.00 0.00 H new ATOM 0 HE ARG A 8 11.050 -11.500 -12.046 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.514 -14.297 -9.942 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.939 -13.962 -8.953 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.858 -11.083 -10.761 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.257 -12.155 -9.414 1.00 0.00 H new ATOM 131 N THR A 9 4.891 -11.081 -13.036 1.00 0.00 N ATOM 132 CA THR A 9 3.935 -10.701 -14.047 1.00 0.00 C ATOM 133 C THR A 9 4.616 -9.920 -15.166 1.00 0.00 C ATOM 134 O THR A 9 4.652 -8.692 -15.146 1.00 0.00 O ATOM 135 CB THR A 9 2.815 -9.874 -13.439 1.00 0.00 C ATOM 136 OG1 THR A 9 2.960 -9.772 -12.032 1.00 0.00 O ATOM 137 CG2 THR A 9 1.435 -10.427 -13.732 1.00 0.00 C ATOM 0 H THR A 9 5.685 -10.446 -12.955 1.00 0.00 H new ATOM 0 HA THR A 9 3.508 -11.611 -14.469 1.00 0.00 H new ATOM 0 HB THR A 9 2.898 -8.893 -13.906 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.228 -9.234 -11.666 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.682 -9.789 -13.269 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.275 -10.454 -14.810 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.354 -11.436 -13.328 1.00 0.00 H new ATOM 145 N CYS A 10 5.153 -10.640 -16.140 1.00 0.00 N ATOM 146 CA CYS A 10 5.830 -10.014 -17.273 1.00 0.00 C ATOM 147 C CYS A 10 7.058 -9.226 -16.847 1.00 0.00 C ATOM 148 O CYS A 10 7.499 -9.312 -15.702 1.00 0.00 O ATOM 149 CB CYS A 10 4.858 -9.127 -18.048 1.00 0.00 C ATOM 150 SG CYS A 10 3.841 -10.033 -19.261 1.00 0.00 S ATOM 0 H CYS A 10 5.135 -11.659 -16.171 1.00 0.00 H new ATOM 0 HA CYS A 10 6.178 -10.814 -17.927 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.200 -8.622 -17.341 1.00 0.00 H new ATOM 0 HB3 CYS A 10 5.423 -8.353 -18.567 1.00 0.00 H new ATOM 155 N LEU A 11 7.627 -8.483 -17.795 1.00 0.00 N ATOM 156 CA LEU A 11 8.827 -7.701 -17.536 1.00 0.00 C ATOM 157 C LEU A 11 8.491 -6.400 -16.806 1.00 0.00 C ATOM 158 O LEU A 11 7.560 -5.677 -17.188 1.00 0.00 O ATOM 159 CB LEU A 11 9.555 -7.390 -18.843 1.00 0.00 C ATOM 160 CG LEU A 11 11.013 -6.954 -18.670 1.00 0.00 C ATOM 161 CD1 LEU A 11 11.948 -8.136 -18.851 1.00 0.00 C ATOM 162 CD2 LEU A 11 11.352 -5.853 -19.652 1.00 0.00 C ATOM 0 H LEU A 11 7.273 -8.408 -18.749 1.00 0.00 H new ATOM 0 HA LEU A 11 9.480 -8.296 -16.897 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.527 -8.275 -19.479 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.013 -6.603 -19.367 1.00 0.00 H new ATOM 0 HG LEU A 11 11.142 -6.568 -17.659 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.979 -7.807 -18.724 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.717 -8.900 -18.108 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.820 -8.552 -19.850 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.391 -5.553 -19.518 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.208 -6.216 -20.670 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.701 -4.996 -19.477 1.00 0.00 H new ATOM 174 N PRO A 12 9.242 -6.079 -15.738 1.00 0.00 N ATOM 175 CA PRO A 12 9.011 -4.870 -14.965 1.00 0.00 C ATOM 176 C PRO A 12 9.452 -3.597 -15.678 1.00 0.00 C ATOM 177 O PRO A 12 10.001 -3.631 -16.779 1.00 0.00 O ATOM 178 CB PRO A 12 9.865 -5.027 -13.717 1.00 0.00 C ATOM 179 CG PRO A 12 10.500 -6.365 -13.786 1.00 0.00 C ATOM 180 CD PRO A 12 10.360 -6.863 -15.199 1.00 0.00 C ATOM 0 HA PRO A 12 7.943 -4.764 -14.776 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.622 -4.244 -13.668 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.254 -4.937 -12.819 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.551 -6.305 -13.504 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.021 -7.052 -13.089 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.273 -6.703 -15.772 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.149 -7.932 -15.227 1.00 0.00 H new ATOM 188 N CYS A 13 9.199 -2.477 -15.018 1.00 0.00 N ATOM 189 CA CYS A 13 9.534 -1.184 -15.548 1.00 0.00 C ATOM 190 C CYS A 13 10.050 -0.251 -14.456 1.00 0.00 C ATOM 191 O CYS A 13 10.401 -0.688 -13.362 1.00 0.00 O ATOM 192 CB CYS A 13 8.302 -0.576 -16.229 1.00 0.00 C ATOM 193 SG CYS A 13 8.673 0.756 -17.410 1.00 0.00 S ATOM 0 H CYS A 13 8.755 -2.450 -14.100 1.00 0.00 H new ATOM 0 HA CYS A 13 10.332 -1.308 -16.280 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.763 -1.367 -16.751 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.633 -0.188 -15.461 1.00 0.00 H new ATOM 198 N GLY A 14 10.068 1.032 -14.772 1.00 0.00 N ATOM 199 CA GLY A 14 10.517 2.016 -13.830 1.00 0.00 C ATOM 200 C GLY A 14 11.934 1.797 -13.378 1.00 0.00 C ATOM 201 O GLY A 14 12.764 1.281 -14.133 1.00 0.00 O ATOM 0 H GLY A 14 9.775 1.406 -15.675 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.434 3.005 -14.280 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.859 2.005 -12.961 1.00 0.00 H new ATOM 205 N PRO A 15 12.238 2.196 -12.143 1.00 0.00 N ATOM 206 CA PRO A 15 13.568 2.067 -11.560 1.00 0.00 C ATOM 207 C PRO A 15 13.820 0.683 -10.953 1.00 0.00 C ATOM 208 O PRO A 15 13.501 0.437 -9.789 1.00 0.00 O ATOM 209 CB PRO A 15 13.519 3.145 -10.483 1.00 0.00 C ATOM 210 CG PRO A 15 12.129 3.048 -9.973 1.00 0.00 C ATOM 211 CD PRO A 15 11.291 2.836 -11.203 1.00 0.00 C ATOM 0 HA PRO A 15 14.374 2.178 -12.286 1.00 0.00 H new ATOM 0 HB2 PRO A 15 14.251 2.962 -9.696 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.730 4.133 -10.892 1.00 0.00 H new ATOM 0 HG2 PRO A 15 12.020 2.221 -9.271 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.836 3.955 -9.444 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.430 2.199 -11.000 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.905 3.777 -11.596 1.00 0.00 H new ATOM 219 N GLY A 16 14.397 -0.212 -11.755 1.00 0.00 N ATOM 220 CA GLY A 16 14.688 -1.563 -11.292 1.00 0.00 C ATOM 221 C GLY A 16 13.720 -2.585 -11.853 1.00 0.00 C ATOM 222 O GLY A 16 14.053 -3.346 -12.761 1.00 0.00 O ATOM 0 H GLY A 16 14.669 -0.025 -12.720 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.704 -1.832 -11.580 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.648 -1.588 -10.203 1.00 0.00 H new ATOM 226 N GLY A 17 12.511 -2.575 -11.324 1.00 0.00 N ATOM 227 CA GLY A 17 11.473 -3.467 -11.774 1.00 0.00 C ATOM 228 C GLY A 17 10.183 -3.260 -11.022 1.00 0.00 C ATOM 229 O GLY A 17 9.423 -4.197 -10.769 1.00 0.00 O ATOM 0 H GLY A 17 12.227 -1.947 -10.572 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.300 -3.313 -12.839 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.803 -4.498 -11.650 1.00 0.00 H new ATOM 233 N LYS A 18 9.968 -2.017 -10.646 1.00 0.00 N ATOM 234 CA LYS A 18 8.819 -1.619 -9.894 1.00 0.00 C ATOM 235 C LYS A 18 7.592 -1.838 -10.728 1.00 0.00 C ATOM 236 O LYS A 18 6.716 -2.627 -10.373 1.00 0.00 O ATOM 237 CB LYS A 18 8.970 -0.151 -9.526 1.00 0.00 C ATOM 238 CG LYS A 18 9.381 0.111 -8.092 1.00 0.00 C ATOM 239 CD LYS A 18 10.288 -0.986 -7.585 1.00 0.00 C ATOM 240 CE LYS A 18 10.739 -0.737 -6.156 1.00 0.00 C ATOM 241 NZ LYS A 18 9.910 -1.491 -5.174 1.00 0.00 N ATOM 0 H LYS A 18 10.603 -1.249 -10.863 1.00 0.00 H new ATOM 0 HA LYS A 18 8.727 -2.207 -8.981 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.709 0.300 -10.188 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.023 0.355 -9.715 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.892 1.071 -8.025 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.495 0.177 -7.461 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.766 -1.942 -7.639 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.161 -1.062 -8.233 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.784 -1.028 -6.049 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.681 0.329 -5.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.249 -1.295 -4.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.917 -1.195 -5.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.985 -2.510 -5.367 1.00 0.00 H new ATOM 255 N GLY A 19 7.538 -1.158 -11.839 1.00 0.00 N ATOM 256 CA GLY A 19 6.428 -1.305 -12.722 1.00 0.00 C ATOM 257 C GLY A 19 6.612 -2.418 -13.719 1.00 0.00 C ATOM 258 O GLY A 19 7.320 -3.390 -13.476 1.00 0.00 O ATOM 0 H GLY A 19 8.252 -0.499 -12.150 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.528 -1.494 -12.137 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.270 -0.368 -13.257 1.00 0.00 H new ATOM 262 N ARG A 20 5.976 -2.220 -14.852 1.00 0.00 N ATOM 263 CA ARG A 20 6.031 -3.144 -15.956 1.00 0.00 C ATOM 264 C ARG A 20 5.491 -2.473 -17.210 1.00 0.00 C ATOM 265 O ARG A 20 5.079 -1.317 -17.165 1.00 0.00 O ATOM 266 CB ARG A 20 5.237 -4.389 -15.611 1.00 0.00 C ATOM 267 CG ARG A 20 3.758 -4.132 -15.528 1.00 0.00 C ATOM 268 CD ARG A 20 2.961 -5.156 -16.316 1.00 0.00 C ATOM 269 NE ARG A 20 2.402 -6.196 -15.451 1.00 0.00 N ATOM 270 CZ ARG A 20 1.242 -6.085 -14.804 1.00 0.00 C ATOM 271 NH1 ARG A 20 0.516 -4.992 -14.926 1.00 0.00 N ATOM 272 NH2 ARG A 20 0.804 -7.073 -14.047 1.00 0.00 N ATOM 0 H ARG A 20 5.398 -1.399 -15.032 1.00 0.00 H new ATOM 0 HA ARG A 20 7.063 -3.438 -16.147 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.426 -5.155 -16.363 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.587 -4.785 -14.657 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.444 -4.152 -14.484 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.541 -3.133 -15.907 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.153 -4.655 -16.850 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.603 -5.615 -17.068 1.00 0.00 H new ATOM 0 HE ARG A 20 2.933 -7.059 -15.336 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.841 -4.227 -15.517 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.371 -4.911 -14.429 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.354 -7.927 -13.955 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.084 -6.983 -13.554 1.00 0.00 H new ATOM 286 N CYS A 21 5.457 -3.207 -18.311 1.00 0.00 N ATOM 287 CA CYS A 21 4.925 -2.679 -19.567 1.00 0.00 C ATOM 288 C CYS A 21 3.527 -3.227 -19.799 1.00 0.00 C ATOM 289 O CYS A 21 3.292 -4.418 -19.605 1.00 0.00 O ATOM 290 CB CYS A 21 5.827 -3.062 -20.732 1.00 0.00 C ATOM 291 SG CYS A 21 6.734 -1.665 -21.475 1.00 0.00 S ATOM 0 H CYS A 21 5.790 -4.170 -18.365 1.00 0.00 H new ATOM 0 HA CYS A 21 4.885 -1.592 -19.501 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.547 -3.805 -20.389 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.221 -3.537 -21.503 1.00 0.00 H new ATOM 296 N PHE A 22 2.588 -2.373 -20.199 1.00 0.00 N ATOM 297 CA PHE A 22 1.214 -2.823 -20.427 1.00 0.00 C ATOM 298 C PHE A 22 0.898 -2.947 -21.923 1.00 0.00 C ATOM 299 O PHE A 22 -0.237 -3.224 -22.305 1.00 0.00 O ATOM 300 CB PHE A 22 0.223 -1.890 -19.721 1.00 0.00 C ATOM 301 CG PHE A 22 0.279 -1.985 -18.224 1.00 0.00 C ATOM 302 CD1 PHE A 22 1.490 -2.097 -17.560 1.00 0.00 C ATOM 303 CD2 PHE A 22 -0.879 -1.974 -17.478 1.00 0.00 C ATOM 304 CE1 PHE A 22 1.530 -2.184 -16.192 1.00 0.00 C ATOM 305 CE2 PHE A 22 -0.826 -2.070 -16.106 1.00 0.00 C ATOM 306 CZ PHE A 22 0.374 -2.168 -15.467 1.00 0.00 C ATOM 0 H PHE A 22 2.747 -1.380 -20.370 1.00 0.00 H new ATOM 0 HA PHE A 22 1.111 -3.820 -19.998 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.427 -0.862 -20.020 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.787 -2.125 -20.055 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.410 -2.116 -18.125 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.835 -1.889 -17.973 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.481 -2.266 -15.686 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.741 -2.068 -15.532 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.410 -2.233 -14.390 1.00 0.00 H new ATOM 316 N GLY A 23 1.934 -2.820 -22.756 1.00 0.00 N ATOM 317 CA GLY A 23 1.742 -3.014 -24.185 1.00 0.00 C ATOM 318 C GLY A 23 2.114 -1.870 -25.120 1.00 0.00 C ATOM 319 O GLY A 23 3.046 -2.013 -25.910 1.00 0.00 O ATOM 0 H GLY A 23 2.886 -2.590 -22.472 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.319 -3.890 -24.483 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.691 -3.252 -24.351 1.00 0.00 H new ATOM 323 N PRO A 24 1.369 -0.748 -25.136 1.00 0.00 N ATOM 324 CA PRO A 24 1.626 0.337 -26.080 1.00 0.00 C ATOM 325 C PRO A 24 2.458 1.480 -25.519 1.00 0.00 C ATOM 326 O PRO A 24 1.924 2.422 -24.931 1.00 0.00 O ATOM 327 CB PRO A 24 0.207 0.795 -26.387 1.00 0.00 C ATOM 328 CG PRO A 24 -0.541 0.603 -25.106 1.00 0.00 C ATOM 329 CD PRO A 24 0.178 -0.461 -24.315 1.00 0.00 C ATOM 0 HA PRO A 24 2.217 0.011 -26.936 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.188 1.838 -26.704 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.232 0.208 -27.194 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.583 1.536 -24.544 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.570 0.303 -25.304 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.451 -0.108 -23.321 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.440 -1.348 -24.179 1.00 0.00 H new ATOM 337 N SER A 25 3.779 1.398 -25.703 1.00 0.00 N ATOM 338 CA SER A 25 4.679 2.441 -25.209 1.00 0.00 C ATOM 339 C SER A 25 4.365 2.766 -23.763 1.00 0.00 C ATOM 340 O SER A 25 4.691 3.845 -23.279 1.00 0.00 O ATOM 341 CB SER A 25 4.500 3.718 -26.035 1.00 0.00 C ATOM 342 OG SER A 25 5.710 4.454 -26.129 1.00 0.00 O ATOM 0 H SER A 25 4.244 0.629 -26.185 1.00 0.00 H new ATOM 0 HA SER A 25 5.702 2.075 -25.293 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.152 3.459 -27.035 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.729 4.341 -25.581 1.00 0.00 H new ATOM 0 HG SER A 25 5.561 5.262 -26.664 1.00 0.00 H new ATOM 348 N ILE A 26 3.674 1.858 -23.099 1.00 0.00 N ATOM 349 CA ILE A 26 3.248 2.098 -21.749 1.00 0.00 C ATOM 350 C ILE A 26 4.019 1.316 -20.710 1.00 0.00 C ATOM 351 O ILE A 26 4.612 0.270 -20.983 1.00 0.00 O ATOM 352 CB ILE A 26 1.755 1.786 -21.636 1.00 0.00 C ATOM 353 CG1 ILE A 26 1.050 2.768 -20.744 1.00 0.00 C ATOM 354 CG2 ILE A 26 1.521 0.398 -21.116 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.447 2.748 -20.978 1.00 0.00 C ATOM 0 H ILE A 26 3.400 0.952 -23.479 1.00 0.00 H new ATOM 0 HA ILE A 26 3.448 3.148 -21.537 1.00 0.00 H new ATOM 0 HB ILE A 26 1.347 1.864 -22.644 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.260 2.531 -19.701 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.436 3.771 -20.927 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.449 0.211 -21.049 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.974 -0.326 -21.794 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.969 0.299 -20.127 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.928 3.469 -20.318 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.657 3.010 -22.015 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.835 1.751 -20.770 1.00 0.00 H new ATOM 367 N CYS A 27 3.956 1.852 -19.508 1.00 0.00 N ATOM 368 CA CYS A 27 4.587 1.294 -18.351 1.00 0.00 C ATOM 369 C CYS A 27 3.823 1.728 -17.118 1.00 0.00 C ATOM 370 O CYS A 27 3.292 2.837 -17.067 1.00 0.00 O ATOM 371 CB CYS A 27 6.002 1.785 -18.303 1.00 0.00 C ATOM 372 SG CYS A 27 7.229 0.545 -18.804 1.00 0.00 S ATOM 0 H CYS A 27 3.446 2.714 -19.314 1.00 0.00 H new ATOM 0 HA CYS A 27 4.588 0.205 -18.392 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.096 2.657 -18.951 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.227 2.116 -17.289 1.00 0.00 H new ATOM 377 N CYS A 28 3.742 0.862 -16.137 1.00 0.00 N ATOM 378 CA CYS A 28 3.012 1.177 -14.940 1.00 0.00 C ATOM 379 C CYS A 28 3.661 0.572 -13.720 1.00 0.00 C ATOM 380 O CYS A 28 3.687 -0.647 -13.560 1.00 0.00 O ATOM 381 CB CYS A 28 1.585 0.665 -15.066 1.00 0.00 C ATOM 382 SG CYS A 28 0.360 1.581 -14.089 1.00 0.00 S ATOM 0 H CYS A 28 4.172 -0.063 -16.147 1.00 0.00 H new ATOM 0 HA CYS A 28 3.012 2.260 -14.819 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.292 0.700 -16.115 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.561 -0.382 -14.764 1.00 0.00 H new ATOM 387 N GLY A 29 4.159 1.415 -12.842 1.00 0.00 N ATOM 388 CA GLY A 29 4.754 0.924 -11.647 1.00 0.00 C ATOM 389 C GLY A 29 3.794 1.016 -10.485 1.00 0.00 C ATOM 390 O GLY A 29 2.886 1.840 -10.512 1.00 0.00 O ATOM 0 H GLY A 29 4.158 2.430 -12.943 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.060 -0.112 -11.789 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.655 1.495 -11.424 1.00 0.00 H new ATOM 394 N ASP A 30 3.964 0.178 -9.466 1.00 0.00 N ATOM 395 CA ASP A 30 3.056 0.216 -8.329 1.00 0.00 C ATOM 396 C ASP A 30 3.291 1.505 -7.562 1.00 0.00 C ATOM 397 O ASP A 30 2.519 2.458 -7.667 1.00 0.00 O ATOM 398 CB ASP A 30 3.277 -0.997 -7.422 1.00 0.00 C ATOM 399 CG ASP A 30 2.081 -1.927 -7.398 1.00 0.00 C ATOM 400 OD1 ASP A 30 1.952 -2.752 -8.327 1.00 0.00 O ATOM 401 OD2 ASP A 30 1.272 -1.832 -6.450 1.00 0.00 O ATOM 0 H ASP A 30 4.705 -0.520 -9.405 1.00 0.00 H new ATOM 0 HA ASP A 30 2.025 0.182 -8.683 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.154 -1.547 -7.763 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.489 -0.656 -6.409 1.00 0.00 H new ATOM 406 N GLU A 31 4.407 1.552 -6.861 1.00 0.00 N ATOM 407 CA GLU A 31 4.827 2.737 -6.145 1.00 0.00 C ATOM 408 C GLU A 31 5.355 3.754 -7.152 1.00 0.00 C ATOM 409 O GLU A 31 5.892 4.797 -6.795 1.00 0.00 O ATOM 410 CB GLU A 31 5.968 2.367 -5.204 1.00 0.00 C ATOM 411 CG GLU A 31 7.150 1.744 -5.946 1.00 0.00 C ATOM 412 CD GLU A 31 8.485 2.300 -5.493 1.00 0.00 C ATOM 413 OE1 GLU A 31 8.866 3.391 -5.968 1.00 0.00 O ATOM 414 OE2 GLU A 31 9.153 1.644 -4.666 1.00 0.00 O ATOM 0 H GLU A 31 5.050 0.765 -6.773 1.00 0.00 H new ATOM 0 HA GLU A 31 3.988 3.149 -5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.303 3.259 -4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.604 1.667 -4.452 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.141 0.665 -5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.034 1.917 -7.016 1.00 0.00 H new ATOM 421 N LEU A 32 5.290 3.351 -8.407 1.00 0.00 N ATOM 422 CA LEU A 32 5.839 4.092 -9.513 1.00 0.00 C ATOM 423 C LEU A 32 4.790 4.783 -10.391 1.00 0.00 C ATOM 424 O LEU A 32 5.136 5.548 -11.289 1.00 0.00 O ATOM 425 CB LEU A 32 6.583 3.045 -10.289 1.00 0.00 C ATOM 426 CG LEU A 32 7.838 3.413 -11.023 1.00 0.00 C ATOM 427 CD1 LEU A 32 7.819 2.662 -12.333 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.964 4.897 -11.253 1.00 0.00 C ATOM 0 H LEU A 32 4.842 2.478 -8.686 1.00 0.00 H new ATOM 0 HA LEU A 32 6.458 4.919 -9.163 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.835 2.244 -9.595 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.890 2.627 -11.019 1.00 0.00 H new ATOM 0 HG LEU A 32 8.705 3.139 -10.422 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.717 2.901 -12.902 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.787 1.590 -12.137 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.938 2.952 -12.906 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.891 5.105 -11.788 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.117 5.247 -11.844 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.975 5.414 -10.294 1.00 0.00 H new ATOM 440 N GLY A 33 3.520 4.526 -10.134 1.00 0.00 N ATOM 441 CA GLY A 33 2.470 5.157 -10.912 1.00 0.00 C ATOM 442 C GLY A 33 2.233 4.501 -12.247 1.00 0.00 C ATOM 443 O GLY A 33 2.512 3.315 -12.429 1.00 0.00 O ATOM 0 H GLY A 33 3.194 3.894 -9.403 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.543 5.140 -10.338 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.727 6.204 -11.071 1.00 0.00 H new ATOM 447 N CYS A 34 1.718 5.270 -13.195 1.00 0.00 N ATOM 448 CA CYS A 34 1.437 4.749 -14.517 1.00 0.00 C ATOM 449 C CYS A 34 1.894 5.701 -15.609 1.00 0.00 C ATOM 450 O CYS A 34 1.322 6.773 -15.787 1.00 0.00 O ATOM 451 CB CYS A 34 -0.055 4.495 -14.666 1.00 0.00 C ATOM 452 SG CYS A 34 -0.425 2.892 -15.421 1.00 0.00 S ATOM 0 H CYS A 34 1.488 6.256 -13.070 1.00 0.00 H new ATOM 0 HA CYS A 34 1.990 3.816 -14.626 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.527 4.546 -13.685 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.494 5.287 -15.273 1.00 0.00 H new ATOM 457 N PHE A 35 2.924 5.295 -16.342 1.00 0.00 N ATOM 458 CA PHE A 35 3.463 6.112 -17.427 1.00 0.00 C ATOM 459 C PHE A 35 3.028 5.581 -18.781 1.00 0.00 C ATOM 460 O PHE A 35 2.908 4.370 -18.976 1.00 0.00 O ATOM 461 CB PHE A 35 4.993 6.122 -17.398 1.00 0.00 C ATOM 462 CG PHE A 35 5.578 6.247 -16.032 1.00 0.00 C ATOM 463 CD1 PHE A 35 5.489 5.202 -15.135 1.00 0.00 C ATOM 464 CD2 PHE A 35 6.213 7.414 -15.642 1.00 0.00 C ATOM 465 CE1 PHE A 35 6.021 5.318 -13.878 1.00 0.00 C ATOM 466 CE2 PHE A 35 6.746 7.533 -14.383 1.00 0.00 C ATOM 467 CZ PHE A 35 6.649 6.491 -13.502 1.00 0.00 C ATOM 0 H PHE A 35 3.404 4.405 -16.206 1.00 0.00 H new ATOM 0 HA PHE A 35 3.078 7.121 -17.281 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.360 5.203 -17.855 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.351 6.949 -18.012 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.996 4.286 -15.426 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.290 8.239 -16.335 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.950 4.495 -13.182 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.241 8.447 -14.089 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.064 6.585 -12.509 1.00 0.00 H new ATOM 477 N VAL A 36 2.843 6.488 -19.727 1.00 0.00 N ATOM 478 CA VAL A 36 2.481 6.105 -21.078 1.00 0.00 C ATOM 479 C VAL A 36 3.278 6.924 -22.069 1.00 0.00 C ATOM 480 O VAL A 36 3.156 8.147 -22.130 1.00 0.00 O ATOM 481 CB VAL A 36 0.985 6.263 -21.383 1.00 0.00 C ATOM 482 CG1 VAL A 36 0.641 5.478 -22.642 1.00 0.00 C ATOM 483 CG2 VAL A 36 0.131 5.822 -20.197 1.00 0.00 C ATOM 0 H VAL A 36 2.938 7.493 -19.582 1.00 0.00 H new ATOM 0 HA VAL A 36 2.712 5.044 -21.169 1.00 0.00 H new ATOM 0 HB VAL A 36 0.765 7.316 -21.556 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.421 5.589 -22.861 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.226 5.859 -23.479 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.872 4.424 -22.488 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.924 5.945 -20.442 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.332 4.774 -19.974 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.375 6.431 -19.327 1.00 0.00 H new ATOM 493 N GLY A 37 4.106 6.234 -22.830 1.00 0.00 N ATOM 494 CA GLY A 37 4.945 6.902 -23.805 1.00 0.00 C ATOM 495 C GLY A 37 5.914 7.872 -23.148 1.00 0.00 C ATOM 496 O GLY A 37 6.183 8.948 -23.679 1.00 0.00 O ATOM 0 H GLY A 37 4.215 5.221 -22.793 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.504 6.159 -24.373 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.318 7.440 -24.516 1.00 0.00 H new ATOM 500 N THR A 38 6.429 7.487 -21.980 1.00 0.00 N ATOM 501 CA THR A 38 7.368 8.322 -21.227 1.00 0.00 C ATOM 502 C THR A 38 8.673 7.561 -20.955 1.00 0.00 C ATOM 503 O THR A 38 8.766 6.364 -21.225 1.00 0.00 O ATOM 504 CB THR A 38 6.724 8.737 -19.894 1.00 0.00 C ATOM 505 OG1 THR A 38 5.454 9.324 -20.115 1.00 0.00 O ATOM 506 CG2 THR A 38 7.539 9.725 -19.082 1.00 0.00 C ATOM 0 H THR A 38 6.211 6.597 -21.532 1.00 0.00 H new ATOM 0 HA THR A 38 7.601 9.208 -21.817 1.00 0.00 H new ATOM 0 HB THR A 38 6.654 7.809 -19.326 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.058 9.580 -19.256 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.010 9.962 -18.159 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.508 9.287 -18.843 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.686 10.637 -19.660 1.00 0.00 H new ATOM 514 N ALA A 39 9.669 8.253 -20.394 1.00 0.00 N ATOM 515 CA ALA A 39 10.949 7.633 -20.060 1.00 0.00 C ATOM 516 C ALA A 39 10.725 6.410 -19.171 1.00 0.00 C ATOM 517 O ALA A 39 11.206 5.318 -19.455 1.00 0.00 O ATOM 518 CB ALA A 39 11.849 8.646 -19.363 1.00 0.00 C ATOM 0 H ALA A 39 9.611 9.245 -20.162 1.00 0.00 H new ATOM 0 HA ALA A 39 11.438 7.306 -20.977 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.802 8.177 -19.117 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.022 9.495 -20.025 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.367 8.992 -18.448 1.00 0.00 H new ATOM 524 N GLU A 40 9.969 6.610 -18.105 1.00 0.00 N ATOM 525 CA GLU A 40 9.628 5.549 -17.165 1.00 0.00 C ATOM 526 C GLU A 40 8.783 4.464 -17.844 1.00 0.00 C ATOM 527 O GLU A 40 8.189 3.621 -17.165 1.00 0.00 O ATOM 528 CB GLU A 40 8.888 6.123 -15.959 1.00 0.00 C ATOM 529 CG GLU A 40 9.731 6.154 -14.693 1.00 0.00 C ATOM 530 CD GLU A 40 10.609 7.386 -14.607 1.00 0.00 C ATOM 531 OE1 GLU A 40 10.089 8.501 -14.819 1.00 0.00 O ATOM 532 OE2 GLU A 40 11.817 7.235 -14.324 1.00 0.00 O ATOM 0 H GLU A 40 9.571 7.517 -17.863 1.00 0.00 H new ATOM 0 HA GLU A 40 10.555 5.091 -16.821 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.558 7.135 -16.192 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.992 5.530 -15.776 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.075 6.119 -13.823 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.357 5.263 -14.656 1.00 0.00 H new ATOM 539 N ALA A 41 8.693 4.518 -19.182 1.00 0.00 N ATOM 540 CA ALA A 41 7.887 3.572 -19.928 1.00 0.00 C ATOM 541 C ALA A 41 8.562 3.053 -21.188 1.00 0.00 C ATOM 542 O ALA A 41 7.986 2.254 -21.930 1.00 0.00 O ATOM 543 CB ALA A 41 6.608 4.246 -20.325 1.00 0.00 C ATOM 0 H ALA A 41 9.172 5.210 -19.758 1.00 0.00 H new ATOM 0 HA ALA A 41 7.722 2.714 -19.276 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.988 3.548 -20.888 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.073 4.567 -19.431 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.831 5.114 -20.945 1.00 0.00 H new ATOM 549 N LEU A 42 9.786 3.465 -21.395 1.00 0.00 N ATOM 550 CA LEU A 42 10.572 3.021 -22.526 1.00 0.00 C ATOM 551 C LEU A 42 10.859 1.521 -22.450 1.00 0.00 C ATOM 552 O LEU A 42 11.308 0.917 -23.423 1.00 0.00 O ATOM 553 CB LEU A 42 11.886 3.801 -22.576 1.00 0.00 C ATOM 554 CG LEU A 42 12.684 3.900 -21.257 1.00 0.00 C ATOM 555 CD1 LEU A 42 12.145 2.978 -20.164 1.00 0.00 C ATOM 556 CD2 LEU A 42 14.150 3.599 -21.509 1.00 0.00 C ATOM 0 H LEU A 42 10.271 4.121 -20.783 1.00 0.00 H new ATOM 0 HA LEU A 42 9.999 3.207 -23.434 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.527 3.340 -23.328 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.669 4.813 -22.919 1.00 0.00 H new ATOM 0 HG LEU A 42 12.570 4.923 -20.897 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.746 3.092 -19.262 1.00 0.00 H new ATOM 0 HD12 LEU A 42 11.110 3.239 -19.945 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.194 1.943 -20.504 1.00 0.00 H new ATOM 0 HD21 LEU A 42 14.703 3.672 -20.572 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.250 2.591 -21.912 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.551 4.317 -22.224 1.00 0.00 H new ATOM 568 N ARG A 43 10.609 0.937 -21.281 1.00 0.00 N ATOM 569 CA ARG A 43 10.847 -0.478 -21.036 1.00 0.00 C ATOM 570 C ARG A 43 10.237 -1.379 -22.098 1.00 0.00 C ATOM 571 O ARG A 43 10.573 -2.556 -22.175 1.00 0.00 O ATOM 572 CB ARG A 43 10.279 -0.841 -19.681 1.00 0.00 C ATOM 573 CG ARG A 43 11.273 -1.521 -18.759 1.00 0.00 C ATOM 574 CD ARG A 43 12.448 -0.608 -18.439 1.00 0.00 C ATOM 575 NE ARG A 43 12.745 -0.577 -17.008 1.00 0.00 N ATOM 576 CZ ARG A 43 13.612 -1.392 -16.409 1.00 0.00 C ATOM 577 NH1 ARG A 43 14.270 -2.308 -17.108 1.00 0.00 N ATOM 578 NH2 ARG A 43 13.820 -1.290 -15.103 1.00 0.00 N ATOM 0 H ARG A 43 10.234 1.437 -20.475 1.00 0.00 H new ATOM 0 HA ARG A 43 11.925 -0.638 -21.069 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.911 0.064 -19.198 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.421 -1.498 -19.822 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.774 -1.812 -17.835 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.638 -2.436 -19.226 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.329 -0.946 -18.985 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.227 0.402 -18.785 1.00 0.00 H new ATOM 0 HE ARG A 43 12.259 0.111 -16.433 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.114 -2.392 -18.112 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.932 -2.928 -16.641 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.317 -0.589 -14.560 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.483 -1.913 -14.642 1.00 0.00 H new ATOM 592 N CYS A 44 9.328 -0.842 -22.897 1.00 0.00 N ATOM 593 CA CYS A 44 8.677 -1.633 -23.923 1.00 0.00 C ATOM 594 C CYS A 44 9.606 -1.908 -25.103 1.00 0.00 C ATOM 595 O CYS A 44 9.310 -2.744 -25.955 1.00 0.00 O ATOM 596 CB CYS A 44 7.386 -0.975 -24.352 1.00 0.00 C ATOM 597 SG CYS A 44 5.955 -1.489 -23.347 1.00 0.00 S ATOM 0 H CYS A 44 9.028 0.132 -22.854 1.00 0.00 H new ATOM 0 HA CYS A 44 8.430 -2.606 -23.499 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.498 0.107 -24.288 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.193 -1.214 -25.398 1.00 0.00 H new ATOM 602 N GLN A 45 10.760 -1.239 -25.115 1.00 0.00 N ATOM 603 CA GLN A 45 11.766 -1.448 -26.142 1.00 0.00 C ATOM 604 C GLN A 45 12.262 -2.895 -26.062 1.00 0.00 C ATOM 605 O GLN A 45 12.819 -3.450 -27.010 1.00 0.00 O ATOM 606 CB GLN A 45 12.919 -0.493 -25.898 1.00 0.00 C ATOM 607 CG GLN A 45 12.827 0.796 -26.694 1.00 0.00 C ATOM 608 CD GLN A 45 12.727 2.022 -25.806 1.00 0.00 C ATOM 609 OE1 GLN A 45 13.735 2.526 -25.311 1.00 0.00 O ATOM 610 NE2 GLN A 45 11.509 2.505 -25.596 1.00 0.00 N ATOM 0 H GLN A 45 11.017 -0.543 -24.415 1.00 0.00 H new ATOM 0 HA GLN A 45 11.345 -1.264 -27.131 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.959 -0.251 -24.836 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.854 -0.996 -26.146 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.704 0.886 -27.335 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.956 0.754 -27.349 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.701 2.056 -26.026 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.381 3.326 -25.004 1.00 0.00 H new ATOM 619 N GLU A 46 11.958 -3.492 -24.918 1.00 0.00 N ATOM 620 CA GLU A 46 12.272 -4.881 -24.664 1.00 0.00 C ATOM 621 C GLU A 46 11.265 -5.721 -25.425 1.00 0.00 C ATOM 622 O GLU A 46 11.593 -6.765 -25.993 1.00 0.00 O ATOM 623 CB GLU A 46 12.224 -5.193 -23.171 1.00 0.00 C ATOM 624 CG GLU A 46 10.817 -5.231 -22.604 1.00 0.00 C ATOM 625 CD GLU A 46 10.250 -6.645 -22.544 1.00 0.00 C ATOM 626 OE1 GLU A 46 10.587 -7.457 -23.432 1.00 0.00 O ATOM 627 OE2 GLU A 46 9.467 -6.940 -21.613 1.00 0.00 O ATOM 0 H GLU A 46 11.487 -3.023 -24.144 1.00 0.00 H new ATOM 0 HA GLU A 46 13.285 -5.105 -24.998 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.704 -6.155 -22.994 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.804 -4.443 -22.633 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.821 -4.802 -21.602 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.165 -4.607 -23.216 1.00 0.00 H new ATOM 634 N GLU A 47 10.035 -5.208 -25.473 1.00 0.00 N ATOM 635 CA GLU A 47 8.954 -5.858 -26.195 1.00 0.00 C ATOM 636 C GLU A 47 8.977 -5.458 -27.667 1.00 0.00 C ATOM 637 O GLU A 47 7.959 -5.519 -28.350 1.00 0.00 O ATOM 638 CB GLU A 47 7.605 -5.489 -25.577 1.00 0.00 C ATOM 639 CG GLU A 47 6.627 -6.650 -25.520 1.00 0.00 C ATOM 640 CD GLU A 47 5.510 -6.422 -24.522 1.00 0.00 C ATOM 641 OE1 GLU A 47 5.811 -6.050 -23.368 1.00 0.00 O ATOM 642 OE2 GLU A 47 4.333 -6.613 -24.895 1.00 0.00 O ATOM 0 H GLU A 47 9.767 -4.337 -25.015 1.00 0.00 H new ATOM 0 HA GLU A 47 9.094 -6.937 -26.122 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.768 -5.111 -24.568 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.160 -4.677 -26.153 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.198 -6.808 -26.510 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.165 -7.561 -25.256 1.00 0.00 H new ATOM 649 N ASN A 48 10.146 -5.048 -28.151 1.00 0.00 N ATOM 650 CA ASN A 48 10.301 -4.646 -29.531 1.00 0.00 C ATOM 651 C ASN A 48 11.702 -4.962 -30.048 1.00 0.00 C ATOM 652 O ASN A 48 12.077 -4.518 -31.132 1.00 0.00 O ATOM 653 CB ASN A 48 10.008 -3.155 -29.690 1.00 0.00 C ATOM 654 CG ASN A 48 9.825 -2.757 -31.140 1.00 0.00 C ATOM 655 OD1 ASN A 48 8.845 -3.136 -31.780 1.00 0.00 O ATOM 656 ND2 ASN A 48 10.773 -1.991 -31.667 1.00 0.00 N ATOM 0 H ASN A 48 11.001 -4.988 -27.597 1.00 0.00 H new ATOM 0 HA ASN A 48 9.584 -5.214 -30.124 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.108 -2.902 -29.130 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.825 -2.578 -29.257 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.706 -1.693 -32.640 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.569 -1.700 -31.099 1.00 0.00 H new ATOM 663 N TYR A 49 12.478 -5.731 -29.280 1.00 0.00 N ATOM 664 CA TYR A 49 13.829 -6.088 -29.705 1.00 0.00 C ATOM 665 C TYR A 49 14.169 -7.525 -29.319 1.00 0.00 C ATOM 666 O TYR A 49 14.377 -8.373 -30.187 1.00 0.00 O ATOM 667 CB TYR A 49 14.856 -5.125 -29.106 1.00 0.00 C ATOM 668 CG TYR A 49 15.322 -4.066 -30.073 1.00 0.00 C ATOM 669 CD1 TYR A 49 16.039 -4.412 -31.212 1.00 0.00 C ATOM 670 CD2 TYR A 49 15.042 -2.724 -29.856 1.00 0.00 C ATOM 671 CE1 TYR A 49 16.463 -3.451 -32.106 1.00 0.00 C ATOM 672 CE2 TYR A 49 15.462 -1.756 -30.747 1.00 0.00 C ATOM 673 CZ TYR A 49 16.173 -2.124 -31.870 1.00 0.00 C ATOM 674 OH TYR A 49 16.595 -1.163 -32.759 1.00 0.00 O ATOM 0 H TYR A 49 12.198 -6.112 -28.376 1.00 0.00 H new ATOM 0 HA TYR A 49 13.865 -6.009 -30.792 1.00 0.00 H new ATOM 0 HB2 TYR A 49 14.422 -4.641 -28.231 1.00 0.00 H new ATOM 0 HB3 TYR A 49 15.718 -5.695 -28.760 1.00 0.00 H new ATOM 0 HD1 TYR A 49 16.268 -5.451 -31.400 1.00 0.00 H new ATOM 0 HD2 TYR A 49 14.487 -2.432 -28.977 1.00 0.00 H new ATOM 0 HE1 TYR A 49 17.019 -3.737 -32.986 1.00 0.00 H new ATOM 0 HE2 TYR A 49 15.235 -0.716 -30.565 1.00 0.00 H new ATOM 0 HH TYR A 49 16.308 -0.280 -32.446 1.00 0.00 H new ATOM 684 N LEU A 50 14.228 -7.794 -28.020 1.00 0.00 N ATOM 685 CA LEU A 50 14.554 -9.131 -27.532 1.00 0.00 C ATOM 686 C LEU A 50 13.310 -9.826 -26.986 1.00 0.00 C ATOM 687 O LEU A 50 12.906 -9.588 -25.849 1.00 0.00 O ATOM 688 CB LEU A 50 15.635 -9.050 -26.443 1.00 0.00 C ATOM 689 CG LEU A 50 16.971 -8.429 -26.879 1.00 0.00 C ATOM 690 CD1 LEU A 50 17.504 -9.112 -28.132 1.00 0.00 C ATOM 691 CD2 LEU A 50 16.822 -6.930 -27.103 1.00 0.00 C ATOM 0 H LEU A 50 14.055 -7.107 -27.286 1.00 0.00 H new ATOM 0 HA LEU A 50 14.936 -9.717 -28.368 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.241 -8.471 -25.608 1.00 0.00 H new ATOM 0 HB3 LEU A 50 15.827 -10.056 -26.071 1.00 0.00 H new ATOM 0 HG LEU A 50 17.693 -8.583 -26.077 1.00 0.00 H new ATOM 0 HD11 LEU A 50 18.450 -8.655 -28.421 1.00 0.00 H new ATOM 0 HD12 LEU A 50 17.660 -10.172 -27.930 1.00 0.00 H new ATOM 0 HD13 LEU A 50 16.784 -8.999 -28.942 1.00 0.00 H new ATOM 0 HD21 LEU A 50 17.780 -6.511 -27.411 1.00 0.00 H new ATOM 0 HD22 LEU A 50 16.080 -6.750 -27.881 1.00 0.00 H new ATOM 0 HD23 LEU A 50 16.499 -6.454 -26.177 1.00 0.00 H new ATOM 703 N PRO A 51 12.676 -10.695 -27.798 1.00 0.00 N ATOM 704 CA PRO A 51 11.468 -11.423 -27.397 1.00 0.00 C ATOM 705 C PRO A 51 11.559 -11.991 -25.987 1.00 0.00 C ATOM 706 O PRO A 51 12.523 -12.675 -25.645 1.00 0.00 O ATOM 707 CB PRO A 51 11.400 -12.542 -28.428 1.00 0.00 C ATOM 708 CG PRO A 51 11.940 -11.904 -29.653 1.00 0.00 C ATOM 709 CD PRO A 51 13.079 -11.042 -29.179 1.00 0.00 C ATOM 0 HA PRO A 51 10.587 -10.781 -27.371 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.995 -13.404 -28.127 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.379 -12.894 -28.574 1.00 0.00 H new ATOM 0 HG2 PRO A 51 12.283 -12.652 -30.368 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.178 -11.308 -30.156 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.028 -11.578 -29.201 1.00 0.00 H new ATOM 0 HD3 PRO A 51 13.200 -10.154 -29.800 1.00 0.00 H new ATOM 717 N SER A 52 10.551 -11.700 -25.171 1.00 0.00 N ATOM 718 CA SER A 52 10.519 -12.182 -23.795 1.00 0.00 C ATOM 719 C SER A 52 9.166 -12.815 -23.472 1.00 0.00 C ATOM 720 O SER A 52 8.119 -12.272 -23.823 1.00 0.00 O ATOM 721 CB SER A 52 10.801 -11.030 -22.827 1.00 0.00 C ATOM 722 OG SER A 52 11.974 -10.315 -23.191 1.00 0.00 O ATOM 0 H SER A 52 9.746 -11.133 -25.439 1.00 0.00 H new ATOM 0 HA SER A 52 11.291 -12.943 -23.681 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.950 -10.350 -22.813 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.913 -11.423 -21.816 1.00 0.00 H new ATOM 0 HG SER A 52 11.944 -10.102 -24.147 1.00 0.00 H new ATOM 728 N PRO A 53 9.164 -13.974 -22.788 1.00 0.00 N ATOM 729 CA PRO A 53 7.944 -14.670 -22.418 1.00 0.00 C ATOM 730 C PRO A 53 7.476 -14.276 -21.028 1.00 0.00 C ATOM 731 O PRO A 53 8.277 -14.164 -20.102 1.00 0.00 O ATOM 732 CB PRO A 53 8.375 -16.135 -22.447 1.00 0.00 C ATOM 733 CG PRO A 53 9.850 -16.130 -22.168 1.00 0.00 C ATOM 734 CD PRO A 53 10.346 -14.708 -22.318 1.00 0.00 C ATOM 0 HA PRO A 53 7.107 -14.443 -23.078 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.837 -16.716 -21.698 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.161 -16.587 -23.416 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.049 -16.500 -21.162 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.372 -16.791 -22.860 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.714 -14.311 -21.372 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.167 -14.644 -23.032 1.00 0.00 H new ATOM 742 N CYS A 54 6.176 -14.050 -20.883 1.00 0.00 N ATOM 743 CA CYS A 54 5.626 -13.657 -19.610 1.00 0.00 C ATOM 744 C CYS A 54 4.113 -13.838 -19.551 1.00 0.00 C ATOM 745 O CYS A 54 3.466 -14.106 -20.561 1.00 0.00 O ATOM 746 CB CYS A 54 5.978 -12.212 -19.330 1.00 0.00 C ATOM 747 SG CYS A 54 5.186 -10.999 -20.442 1.00 0.00 S ATOM 0 H CYS A 54 5.492 -14.134 -21.635 1.00 0.00 H new ATOM 0 HA CYS A 54 6.061 -14.306 -18.850 1.00 0.00 H new ATOM 0 HB2 CYS A 54 5.699 -11.978 -18.303 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.060 -12.096 -19.401 1.00 0.00 H new ATOM 752 N GLN A 55 3.563 -13.701 -18.348 1.00 0.00 N ATOM 753 CA GLN A 55 2.128 -13.849 -18.134 1.00 0.00 C ATOM 754 C GLN A 55 1.330 -12.871 -18.989 1.00 0.00 C ATOM 755 O GLN A 55 1.898 -12.103 -19.759 1.00 0.00 O ATOM 756 CB GLN A 55 1.810 -13.631 -16.653 1.00 0.00 C ATOM 757 CG GLN A 55 0.405 -14.064 -16.235 1.00 0.00 C ATOM 758 CD GLN A 55 0.128 -15.523 -16.551 1.00 0.00 C ATOM 759 OE1 GLN A 55 0.514 -16.028 -17.601 1.00 0.00 O ATOM 760 NE2 GLN A 55 -0.529 -16.213 -15.629 1.00 0.00 N ATOM 0 H GLN A 55 4.093 -13.487 -17.503 1.00 0.00 H new ATOM 0 HA GLN A 55 1.840 -14.858 -18.430 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.538 -14.178 -16.054 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.935 -12.574 -16.420 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.280 -13.897 -15.165 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.330 -13.440 -16.743 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.833 -15.755 -14.769 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.731 -17.201 -15.779 1.00 0.00 H new ATOM 769 N SER A 56 0.007 -12.915 -18.848 1.00 0.00 N ATOM 770 CA SER A 56 -0.882 -12.043 -19.591 1.00 0.00 C ATOM 771 C SER A 56 -0.610 -10.574 -19.267 1.00 0.00 C ATOM 772 O SER A 56 0.382 -10.242 -18.617 1.00 0.00 O ATOM 773 CB SER A 56 -2.339 -12.392 -19.277 1.00 0.00 C ATOM 774 OG SER A 56 -2.475 -12.902 -17.962 1.00 0.00 O ATOM 0 H SER A 56 -0.472 -13.556 -18.216 1.00 0.00 H new ATOM 0 HA SER A 56 -0.698 -12.194 -20.655 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.960 -11.504 -19.391 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.701 -13.129 -19.994 1.00 0.00 H new ATOM 0 HG SER A 56 -3.416 -13.114 -17.789 1.00 0.00 H new ATOM 780 N GLY A 57 -1.503 -9.701 -19.728 1.00 0.00 N ATOM 781 CA GLY A 57 -1.353 -8.278 -19.486 1.00 0.00 C ATOM 782 C GLY A 57 -2.140 -7.809 -18.276 1.00 0.00 C ATOM 783 O GLY A 57 -2.042 -8.399 -17.201 1.00 0.00 O ATOM 0 H GLY A 57 -2.330 -9.957 -20.267 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.298 -8.046 -19.341 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.683 -7.726 -20.366 1.00 0.00 H new ATOM 787 N GLN A 58 -2.919 -6.742 -18.447 1.00 0.00 N ATOM 788 CA GLN A 58 -3.715 -6.206 -17.353 1.00 0.00 C ATOM 789 C GLN A 58 -5.173 -6.050 -17.745 1.00 0.00 C ATOM 790 O GLN A 58 -5.568 -5.021 -18.281 1.00 0.00 O ATOM 791 CB GLN A 58 -3.179 -4.856 -16.935 1.00 0.00 C ATOM 792 CG GLN A 58 -2.680 -4.845 -15.508 1.00 0.00 C ATOM 793 CD GLN A 58 -3.722 -5.329 -14.523 1.00 0.00 C ATOM 794 OE1 GLN A 58 -3.401 -6.005 -13.550 1.00 0.00 O ATOM 795 NE2 GLN A 58 -4.979 -4.987 -14.768 1.00 0.00 N ATOM 0 H GLN A 58 -3.013 -6.237 -19.328 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.649 -6.913 -16.526 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.366 -4.569 -17.602 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.963 -4.107 -17.048 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.794 -5.475 -15.432 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.376 -3.833 -15.241 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.204 -4.424 -15.588 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.722 -5.287 -14.136 1.00 0.00 H new ATOM 804 N LYS A 59 -5.961 -7.089 -17.542 1.00 0.00 N ATOM 805 CA LYS A 59 -7.360 -7.096 -17.929 1.00 0.00 C ATOM 806 C LYS A 59 -8.116 -5.782 -17.692 1.00 0.00 C ATOM 807 O LYS A 59 -8.225 -5.282 -16.564 1.00 0.00 O ATOM 808 CB LYS A 59 -8.060 -8.232 -17.190 1.00 0.00 C ATOM 809 CG LYS A 59 -9.465 -8.513 -17.683 1.00 0.00 C ATOM 810 CD LYS A 59 -9.925 -9.903 -17.275 1.00 0.00 C ATOM 811 CE LYS A 59 -10.208 -10.776 -18.487 1.00 0.00 C ATOM 812 NZ LYS A 59 -9.045 -11.640 -18.832 1.00 0.00 N ATOM 0 H LYS A 59 -5.648 -7.955 -17.103 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.375 -7.235 -19.010 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.463 -9.139 -17.289 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.100 -7.991 -16.128 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.150 -7.768 -17.279 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.497 -8.421 -18.769 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.160 -10.374 -16.657 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.824 -9.825 -16.664 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.079 -11.401 -18.289 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.457 -10.144 -19.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.278 -12.220 -19.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.221 -11.043 -19.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.823 -12.261 -18.028 1.00 0.00 H new ATOM 826 N PRO A 60 -8.648 -5.209 -18.796 1.00 0.00 N ATOM 827 CA PRO A 60 -9.418 -3.968 -18.779 1.00 0.00 C ATOM 828 C PRO A 60 -10.453 -3.930 -17.664 1.00 0.00 C ATOM 829 O PRO A 60 -10.719 -4.945 -17.024 1.00 0.00 O ATOM 830 CB PRO A 60 -10.130 -3.971 -20.129 1.00 0.00 C ATOM 831 CG PRO A 60 -9.251 -4.761 -21.028 1.00 0.00 C ATOM 832 CD PRO A 60 -8.501 -5.737 -20.159 1.00 0.00 C ATOM 0 HA PRO A 60 -8.772 -3.106 -18.609 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.120 -4.420 -20.051 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.268 -2.957 -20.504 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.840 -5.287 -21.780 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.560 -4.110 -21.563 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.916 -6.742 -20.242 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.452 -5.801 -20.448 1.00 0.00 H new ATOM 840 N CYS A 61 -11.021 -2.748 -17.413 1.00 0.00 N ATOM 841 CA CYS A 61 -11.996 -2.570 -16.363 1.00 0.00 C ATOM 842 C CYS A 61 -12.978 -1.454 -16.677 1.00 0.00 C ATOM 843 O CYS A 61 -12.665 -0.495 -17.382 1.00 0.00 O ATOM 844 CB CYS A 61 -11.324 -2.200 -15.040 1.00 0.00 C ATOM 845 SG CYS A 61 -9.757 -1.245 -15.204 1.00 0.00 S ATOM 0 H CYS A 61 -10.811 -1.898 -17.936 1.00 0.00 H new ATOM 0 HA CYS A 61 -12.519 -3.523 -16.286 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.026 -1.618 -14.443 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.118 -3.116 -14.486 1.00 0.00 H new ATOM 850 N GLY A 62 -14.182 -1.641 -16.154 1.00 0.00 N ATOM 851 CA GLY A 62 -15.272 -0.706 -16.351 1.00 0.00 C ATOM 852 C GLY A 62 -14.888 0.767 -16.245 1.00 0.00 C ATOM 853 O GLY A 62 -15.706 1.630 -16.551 1.00 0.00 O ATOM 0 H GLY A 62 -14.427 -2.448 -15.581 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.708 -0.882 -17.334 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.049 -0.917 -15.616 1.00 0.00 H new ATOM 857 N SER A 63 -13.665 1.074 -15.859 1.00 0.00 N ATOM 858 CA SER A 63 -13.249 2.450 -15.791 1.00 0.00 C ATOM 859 C SER A 63 -12.600 2.861 -17.106 1.00 0.00 C ATOM 860 O SER A 63 -11.650 3.646 -17.140 1.00 0.00 O ATOM 861 CB SER A 63 -12.315 2.661 -14.624 1.00 0.00 C ATOM 862 OG SER A 63 -12.344 4.002 -14.171 1.00 0.00 O ATOM 0 H SER A 63 -12.953 0.394 -15.592 1.00 0.00 H new ATOM 0 HA SER A 63 -14.123 3.082 -15.632 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.594 1.994 -13.808 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.299 2.397 -14.918 1.00 0.00 H new ATOM 0 HG SER A 63 -12.006 4.593 -14.876 1.00 0.00 H new ATOM 868 N GLY A 64 -13.147 2.304 -18.182 1.00 0.00 N ATOM 869 CA GLY A 64 -12.678 2.575 -19.523 1.00 0.00 C ATOM 870 C GLY A 64 -11.188 2.454 -19.693 1.00 0.00 C ATOM 871 O GLY A 64 -10.524 3.410 -20.097 1.00 0.00 O ATOM 0 H GLY A 64 -13.930 1.651 -18.141 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.168 1.888 -20.213 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.984 3.582 -19.806 1.00 0.00 H new ATOM 875 N GLY A 65 -10.662 1.281 -19.405 1.00 0.00 N ATOM 876 CA GLY A 65 -9.252 1.013 -19.539 1.00 0.00 C ATOM 877 C GLY A 65 -8.834 -0.233 -18.777 1.00 0.00 C ATOM 878 O GLY A 65 -9.675 -1.021 -18.376 1.00 0.00 O ATOM 0 H GLY A 65 -11.206 0.486 -19.070 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.005 0.893 -20.594 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.684 1.869 -19.174 1.00 0.00 H new ATOM 882 N ARG A 66 -7.542 -0.412 -18.577 1.00 0.00 N ATOM 883 CA ARG A 66 -7.053 -1.571 -17.848 1.00 0.00 C ATOM 884 C ARG A 66 -6.752 -1.233 -16.423 1.00 0.00 C ATOM 885 O ARG A 66 -6.530 -0.083 -16.098 1.00 0.00 O ATOM 886 CB ARG A 66 -5.841 -2.226 -18.488 1.00 0.00 C ATOM 887 CG ARG A 66 -5.764 -2.054 -19.989 1.00 0.00 C ATOM 888 CD ARG A 66 -6.966 -2.683 -20.654 1.00 0.00 C ATOM 889 NE ARG A 66 -6.713 -3.007 -22.055 1.00 0.00 N ATOM 890 CZ ARG A 66 -6.108 -4.122 -22.460 1.00 0.00 C ATOM 891 NH1 ARG A 66 -5.681 -5.017 -21.578 1.00 0.00 N ATOM 892 NH2 ARG A 66 -5.926 -4.343 -23.754 1.00 0.00 N ATOM 0 H ARG A 66 -6.815 0.224 -18.906 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.865 -2.297 -17.885 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.938 -1.811 -18.039 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.852 -3.291 -18.256 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.716 -0.994 -20.238 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.850 -2.512 -20.367 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.243 -3.590 -20.117 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.814 -2.002 -20.588 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.017 -2.341 -22.765 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.815 -4.854 -20.580 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.219 -5.868 -21.898 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.249 -3.659 -24.439 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.463 -5.197 -24.065 1.00 0.00 H new ATOM 906 N CYS A 67 -6.701 -2.244 -15.562 1.00 0.00 N ATOM 907 CA CYS A 67 -6.367 -2.008 -14.167 1.00 0.00 C ATOM 908 C CYS A 67 -4.886 -1.677 -14.029 1.00 0.00 C ATOM 909 O CYS A 67 -4.160 -2.300 -13.257 1.00 0.00 O ATOM 910 CB CYS A 67 -6.735 -3.231 -13.344 1.00 0.00 C ATOM 911 SG CYS A 67 -6.835 -2.951 -11.561 1.00 0.00 S ATOM 0 H CYS A 67 -6.884 -3.218 -15.802 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.935 -1.155 -13.795 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.697 -3.608 -13.692 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -5.999 -4.012 -13.533 1.00 0.00 H new ATOM 916 N ALA A 68 -4.453 -0.734 -14.847 1.00 0.00 N ATOM 917 CA ALA A 68 -3.065 -0.341 -14.907 1.00 0.00 C ATOM 918 C ALA A 68 -2.406 -0.225 -13.536 1.00 0.00 C ATOM 919 O ALA A 68 -1.915 -1.219 -12.991 1.00 0.00 O ATOM 920 CB ALA A 68 -2.938 0.942 -15.680 1.00 0.00 C ATOM 0 H ALA A 68 -5.059 -0.221 -15.488 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.527 -1.136 -15.422 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.890 1.238 -15.725 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.317 0.796 -16.691 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.515 1.723 -15.185 1.00 0.00 H new ATOM 926 N ALA A 69 -2.335 0.995 -13.013 1.00 0.00 N ATOM 927 CA ALA A 69 -1.708 1.365 -11.734 1.00 0.00 C ATOM 928 C ALA A 69 -2.400 0.830 -10.483 1.00 0.00 C ATOM 929 O ALA A 69 -3.212 -0.086 -10.535 1.00 0.00 O ATOM 930 CB ALA A 69 -1.544 2.872 -11.662 1.00 0.00 C ATOM 0 H ALA A 69 -2.734 1.802 -13.492 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.736 0.872 -11.731 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.080 3.143 -10.714 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.913 3.209 -12.484 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.522 3.348 -11.736 1.00 0.00 H new ATOM 936 N ALA A 70 -2.099 1.522 -9.365 1.00 0.00 N ATOM 937 CA ALA A 70 -2.725 1.243 -8.088 1.00 0.00 C ATOM 938 C ALA A 70 -4.215 1.364 -8.278 1.00 0.00 C ATOM 939 O ALA A 70 -4.794 2.399 -7.977 1.00 0.00 O ATOM 940 CB ALA A 70 -2.295 2.258 -7.037 1.00 0.00 C ATOM 0 H ALA A 70 -1.418 2.281 -9.338 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.434 0.248 -7.752 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.779 2.026 -6.088 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.213 2.217 -6.912 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.585 3.259 -7.357 1.00 0.00 H new ATOM 946 N GLY A 71 -4.836 0.343 -8.801 1.00 0.00 N ATOM 947 CA GLY A 71 -6.231 0.432 -9.044 1.00 0.00 C ATOM 948 C GLY A 71 -6.569 1.452 -10.105 1.00 0.00 C ATOM 949 O GLY A 71 -7.630 2.065 -10.072 1.00 0.00 O ATOM 0 H GLY A 71 -4.399 -0.542 -9.060 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.606 -0.544 -9.351 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.742 0.693 -8.117 1.00 0.00 H new ATOM 953 N ILE A 72 -5.687 1.604 -11.070 1.00 0.00 N ATOM 954 CA ILE A 72 -5.922 2.519 -12.156 1.00 0.00 C ATOM 955 C ILE A 72 -6.536 1.766 -13.285 1.00 0.00 C ATOM 956 O ILE A 72 -6.284 0.584 -13.474 1.00 0.00 O ATOM 957 CB ILE A 72 -4.656 3.303 -12.650 1.00 0.00 C ATOM 958 CG1 ILE A 72 -4.606 4.666 -11.977 1.00 0.00 C ATOM 959 CG2 ILE A 72 -4.657 3.515 -14.170 1.00 0.00 C ATOM 960 CD1 ILE A 72 -3.787 5.720 -12.710 1.00 0.00 C ATOM 0 H ILE A 72 -4.800 1.103 -11.121 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.592 3.289 -11.774 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.785 2.702 -12.388 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.625 5.035 -11.863 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.197 4.544 -10.974 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.760 4.062 -14.462 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.671 2.548 -14.672 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.540 4.086 -14.457 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.813 6.655 -12.151 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.755 5.381 -12.801 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.205 5.880 -13.704 1.00 0.00 H new ATOM 972 N CYS A 73 -7.303 2.469 -14.055 1.00 0.00 N ATOM 973 CA CYS A 73 -7.899 1.909 -15.196 1.00 0.00 C ATOM 974 C CYS A 73 -7.385 2.756 -16.350 1.00 0.00 C ATOM 975 O CYS A 73 -7.724 3.939 -16.521 1.00 0.00 O ATOM 976 CB CYS A 73 -9.413 1.809 -14.994 1.00 0.00 C ATOM 977 SG CYS A 73 -10.267 0.556 -16.032 1.00 0.00 S ATOM 0 H CYS A 73 -7.527 3.452 -13.898 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.636 0.874 -15.412 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -9.608 1.582 -13.946 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -9.854 2.785 -15.196 1.00 0.00 H new ATOM 982 N CYS A 74 -6.395 2.162 -17.013 1.00 0.00 N ATOM 983 CA CYS A 74 -5.624 2.821 -18.048 1.00 0.00 C ATOM 984 C CYS A 74 -5.577 2.022 -19.313 1.00 0.00 C ATOM 985 O CYS A 74 -5.427 0.808 -19.276 1.00 0.00 O ATOM 986 CB CYS A 74 -4.205 2.942 -17.535 1.00 0.00 C ATOM 987 SG CYS A 74 -2.953 3.394 -18.787 1.00 0.00 S ATOM 0 H CYS A 74 -6.108 1.199 -16.840 1.00 0.00 H new ATOM 0 HA CYS A 74 -6.087 3.783 -18.268 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.186 3.689 -16.741 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -3.917 1.992 -17.085 1.00 0.00 H new ATOM 992 N SER A 75 -5.631 2.706 -20.431 1.00 0.00 N ATOM 993 CA SER A 75 -5.529 2.025 -21.691 1.00 0.00 C ATOM 994 C SER A 75 -4.160 2.382 -22.279 1.00 0.00 C ATOM 995 O SER A 75 -3.196 2.482 -21.516 1.00 0.00 O ATOM 996 CB SER A 75 -6.692 2.527 -22.557 1.00 0.00 C ATOM 997 OG SER A 75 -7.940 2.297 -21.916 1.00 0.00 O ATOM 0 H SER A 75 -5.743 3.718 -20.491 1.00 0.00 H new ATOM 0 HA SER A 75 -5.597 0.940 -21.617 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.571 3.592 -22.753 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.676 2.021 -23.522 1.00 0.00 H new ATOM 0 HG SER A 75 -8.666 2.627 -22.486 1.00 0.00 H new ATOM 1003 N PRO A 76 -4.017 2.665 -23.585 1.00 0.00 N ATOM 1004 CA PRO A 76 -2.746 3.096 -24.113 1.00 0.00 C ATOM 1005 C PRO A 76 -2.701 4.616 -24.134 1.00 0.00 C ATOM 1006 O PRO A 76 -1.644 5.236 -24.141 1.00 0.00 O ATOM 1007 CB PRO A 76 -2.767 2.552 -25.538 1.00 0.00 C ATOM 1008 CG PRO A 76 -4.212 2.419 -25.905 1.00 0.00 C ATOM 1009 CD PRO A 76 -5.033 2.632 -24.653 1.00 0.00 C ATOM 0 HA PRO A 76 -1.887 2.755 -23.535 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.251 3.227 -26.221 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -2.259 1.589 -25.596 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.481 3.151 -26.666 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.409 1.433 -26.327 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.601 3.561 -24.697 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.751 1.826 -24.501 1.00 0.00 H new ATOM 1017 N ASP A 77 -3.894 5.170 -24.281 1.00 0.00 N ATOM 1018 CA ASP A 77 -4.154 6.623 -24.467 1.00 0.00 C ATOM 1019 C ASP A 77 -3.805 7.386 -23.249 1.00 0.00 C ATOM 1020 O ASP A 77 -2.958 8.276 -23.280 1.00 0.00 O ATOM 1021 CB ASP A 77 -5.627 6.853 -24.821 1.00 0.00 C ATOM 1022 CG ASP A 77 -5.803 7.909 -25.896 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -5.397 9.067 -25.662 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -6.346 7.577 -26.971 1.00 0.00 O ATOM 0 H ASP A 77 -4.751 4.616 -24.277 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.526 6.977 -25.285 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.067 5.915 -25.160 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.171 7.155 -23.926 1.00 0.00 H new ATOM 1029 N GLY A 78 -4.386 6.964 -22.108 1.00 0.00 N ATOM 1030 CA GLY A 78 -4.026 7.569 -20.829 1.00 0.00 C ATOM 1031 C GLY A 78 -4.529 6.803 -19.624 1.00 0.00 C ATOM 1032 O GLY A 78 -5.560 6.128 -19.705 1.00 0.00 O ATOM 0 H GLY A 78 -5.088 6.226 -22.054 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.941 7.649 -20.769 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.423 8.584 -20.794 1.00 0.00 H new ATOM 1036 N CYS A 79 -3.824 6.893 -18.500 1.00 0.00 N ATOM 1037 CA CYS A 79 -4.228 6.201 -17.278 1.00 0.00 C ATOM 1038 C CYS A 79 -4.675 7.162 -16.218 1.00 0.00 C ATOM 1039 O CYS A 79 -4.100 8.236 -16.061 1.00 0.00 O ATOM 1040 CB CYS A 79 -3.076 5.431 -16.649 1.00 0.00 C ATOM 1041 SG CYS A 79 -1.858 4.798 -17.831 1.00 0.00 S ATOM 0 H CYS A 79 -2.968 7.440 -18.409 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.033 5.535 -17.589 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.568 6.081 -15.937 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.483 4.593 -16.082 1.00 0.00 H new ATOM 1046 N GLU A 80 -5.702 6.779 -15.498 1.00 0.00 N ATOM 1047 CA GLU A 80 -6.213 7.635 -14.450 1.00 0.00 C ATOM 1048 C GLU A 80 -6.676 6.848 -13.233 1.00 0.00 C ATOM 1049 O GLU A 80 -7.355 5.835 -13.364 1.00 0.00 O ATOM 1050 CB GLU A 80 -7.357 8.488 -14.983 1.00 0.00 C ATOM 1051 CG GLU A 80 -8.528 7.670 -15.504 1.00 0.00 C ATOM 1052 CD GLU A 80 -9.854 8.380 -15.324 1.00 0.00 C ATOM 1053 OE1 GLU A 80 -10.049 9.010 -14.263 1.00 0.00 O ATOM 1054 OE2 GLU A 80 -10.696 8.309 -16.243 1.00 0.00 O ATOM 0 H GLU A 80 -6.196 5.894 -15.614 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.392 8.277 -14.129 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.709 9.148 -14.190 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.983 9.125 -15.785 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.375 7.454 -16.561 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.558 6.712 -14.984 1.00 0.00 H new ATOM 1061 N GLU A 81 -6.260 7.293 -12.043 1.00 0.00 N ATOM 1062 CA GLU A 81 -6.597 6.610 -10.804 1.00 0.00 C ATOM 1063 C GLU A 81 -8.076 6.314 -10.718 1.00 0.00 C ATOM 1064 O GLU A 81 -8.864 7.128 -10.246 1.00 0.00 O ATOM 1065 CB GLU A 81 -6.156 7.454 -9.623 1.00 0.00 C ATOM 1066 CG GLU A 81 -6.538 8.906 -9.733 1.00 0.00 C ATOM 1067 CD GLU A 81 -7.507 9.332 -8.649 1.00 0.00 C ATOM 1068 OE1 GLU A 81 -7.538 8.674 -7.584 1.00 0.00 O ATOM 1069 OE2 GLU A 81 -8.239 10.318 -8.864 1.00 0.00 O ATOM 0 H GLU A 81 -5.687 8.128 -11.919 1.00 0.00 H new ATOM 0 HA GLU A 81 -6.072 5.655 -10.785 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.591 7.042 -8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.073 7.380 -9.521 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.640 9.521 -9.675 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.987 9.088 -10.710 1.00 0.00 H new ATOM 1076 N ASP A 82 -8.448 5.157 -11.231 1.00 0.00 N ATOM 1077 CA ASP A 82 -9.812 4.762 -11.283 1.00 0.00 C ATOM 1078 C ASP A 82 -10.294 4.024 -10.058 1.00 0.00 C ATOM 1079 O ASP A 82 -9.827 2.930 -9.718 1.00 0.00 O ATOM 1080 CB ASP A 82 -10.032 3.902 -12.497 1.00 0.00 C ATOM 1081 CG ASP A 82 -9.746 4.679 -13.758 1.00 0.00 C ATOM 1082 OD1 ASP A 82 -10.488 5.644 -14.037 1.00 0.00 O ATOM 1083 OD2 ASP A 82 -8.776 4.354 -14.444 1.00 0.00 O ATOM 0 H ASP A 82 -7.798 4.474 -11.620 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.393 5.683 -11.331 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.386 3.025 -12.450 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.060 3.541 -12.512 1.00 0.00 H new ATOM 1088 N PRO A 83 -11.325 4.598 -9.420 1.00 0.00 N ATOM 1089 CA PRO A 83 -11.985 3.998 -8.289 1.00 0.00 C ATOM 1090 C PRO A 83 -12.570 2.679 -8.710 1.00 0.00 C ATOM 1091 O PRO A 83 -13.225 1.989 -7.937 1.00 0.00 O ATOM 1092 CB PRO A 83 -13.098 4.994 -7.928 1.00 0.00 C ATOM 1093 CG PRO A 83 -12.647 6.258 -8.535 1.00 0.00 C ATOM 1094 CD PRO A 83 -11.954 5.844 -9.799 1.00 0.00 C ATOM 0 HA PRO A 83 -11.320 3.808 -7.446 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.062 4.679 -8.328 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.216 5.088 -6.849 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.487 6.920 -8.742 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.972 6.798 -7.871 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.657 5.710 -10.621 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.223 6.585 -10.122 1.00 0.00 H new ATOM 1102 N ALA A 84 -12.268 2.333 -9.948 1.00 0.00 N ATOM 1103 CA ALA A 84 -12.671 1.104 -10.506 1.00 0.00 C ATOM 1104 C ALA A 84 -11.767 0.026 -9.989 1.00 0.00 C ATOM 1105 O ALA A 84 -12.178 -1.116 -9.813 1.00 0.00 O ATOM 1106 CB ALA A 84 -12.592 1.222 -11.999 1.00 0.00 C ATOM 0 H ALA A 84 -11.728 2.921 -10.583 1.00 0.00 H new ATOM 0 HA ALA A 84 -13.695 0.852 -10.229 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.900 0.281 -12.455 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.252 2.022 -12.336 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.567 1.449 -12.292 1.00 0.00 H new ATOM 1112 N CYS A 85 -10.504 0.396 -9.762 1.00 0.00 N ATOM 1113 CA CYS A 85 -9.539 -0.547 -9.289 1.00 0.00 C ATOM 1114 C CYS A 85 -8.867 -0.209 -7.929 1.00 0.00 C ATOM 1115 O CYS A 85 -8.355 -1.141 -7.310 1.00 0.00 O ATOM 1116 CB CYS A 85 -8.462 -0.807 -10.345 1.00 0.00 C ATOM 1117 SG CYS A 85 -8.732 -2.299 -11.332 1.00 0.00 S ATOM 0 H CYS A 85 -10.146 1.341 -9.903 1.00 0.00 H new ATOM 0 HA CYS A 85 -10.126 -1.447 -9.104 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.410 0.052 -11.014 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -7.494 -0.884 -9.849 1.00 0.00 H new ATOM 1122 N ASP A 86 -8.822 1.069 -7.422 1.00 0.00 N ATOM 1123 CA ASP A 86 -8.102 1.275 -6.104 1.00 0.00 C ATOM 1124 C ASP A 86 -7.585 2.685 -5.673 1.00 0.00 C ATOM 1125 O ASP A 86 -7.196 2.830 -4.514 1.00 0.00 O ATOM 1126 CB ASP A 86 -6.799 0.525 -6.170 1.00 0.00 C ATOM 1127 CG ASP A 86 -6.192 0.254 -4.818 1.00 0.00 C ATOM 1128 OD1 ASP A 86 -6.947 -0.073 -3.879 1.00 0.00 O ATOM 1129 OD2 ASP A 86 -4.958 0.379 -4.697 1.00 0.00 O ATOM 0 H ASP A 86 -9.230 1.900 -7.850 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.889 0.983 -5.409 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.960 -0.423 -6.684 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.090 1.096 -6.770 1.00 0.00 H new ATOM 1134 N PRO A 87 -7.448 3.694 -6.531 1.00 0.00 N ATOM 1135 CA PRO A 87 -6.845 4.970 -6.141 1.00 0.00 C ATOM 1136 C PRO A 87 -7.883 5.973 -5.744 1.00 0.00 C ATOM 1137 O PRO A 87 -8.037 6.327 -4.577 1.00 0.00 O ATOM 1138 CB PRO A 87 -6.150 5.403 -7.428 1.00 0.00 C ATOM 1139 CG PRO A 87 -6.534 4.377 -8.460 1.00 0.00 C ATOM 1140 CD PRO A 87 -7.759 3.713 -7.937 1.00 0.00 C ATOM 0 HA PRO A 87 -6.183 4.886 -5.279 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -6.469 6.401 -7.729 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -5.069 5.441 -7.296 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.725 4.846 -9.425 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -5.732 3.655 -8.610 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.665 4.277 -8.156 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.899 2.713 -8.347 1.00 0.00 H new ATOM 1148 N GLU A 88 -8.642 6.340 -6.734 1.00 0.00 N ATOM 1149 CA GLU A 88 -9.754 7.214 -6.508 1.00 0.00 C ATOM 1150 C GLU A 88 -10.843 6.315 -5.896 1.00 0.00 C ATOM 1151 O GLU A 88 -11.944 6.735 -5.560 1.00 0.00 O ATOM 1152 CB GLU A 88 -10.177 7.835 -7.834 1.00 0.00 C ATOM 1153 CG GLU A 88 -11.018 9.084 -7.692 1.00 0.00 C ATOM 1154 CD GLU A 88 -11.285 9.763 -9.021 1.00 0.00 C ATOM 1155 OE1 GLU A 88 -12.130 9.255 -9.791 1.00 0.00 O ATOM 1156 OE2 GLU A 88 -10.654 10.804 -9.291 1.00 0.00 O ATOM 0 H GLU A 88 -8.512 6.049 -7.703 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.533 8.047 -5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.284 8.075 -8.411 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.738 7.096 -8.406 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.968 8.826 -7.223 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.513 9.784 -7.026 1.00 0.00 H new ATOM 1163 N ALA A 89 -10.460 5.029 -5.870 1.00 0.00 N ATOM 1164 CA ALA A 89 -11.246 3.878 -5.458 1.00 0.00 C ATOM 1165 C ALA A 89 -12.497 4.074 -4.650 1.00 0.00 C ATOM 1166 O ALA A 89 -12.515 4.569 -3.525 1.00 0.00 O ATOM 1167 CB ALA A 89 -10.363 2.878 -4.771 1.00 0.00 C ATOM 0 H ALA A 89 -9.521 4.757 -6.160 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.643 3.535 -6.413 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.958 2.018 -4.464 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.580 2.553 -5.456 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.909 3.337 -3.893 1.00 0.00 H new ATOM 1173 N ALA A 90 -13.491 3.454 -5.255 1.00 0.00 N ATOM 1174 CA ALA A 90 -14.784 3.232 -4.752 1.00 0.00 C ATOM 1175 C ALA A 90 -14.754 1.786 -4.243 1.00 0.00 C ATOM 1176 O ALA A 90 -13.708 1.270 -3.844 1.00 0.00 O ATOM 1177 CB ALA A 90 -15.745 3.379 -5.916 1.00 0.00 C ATOM 0 H ALA A 90 -13.378 3.068 -6.193 1.00 0.00 H new ATOM 0 HA ALA A 90 -15.089 3.918 -3.961 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.765 3.214 -5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -15.661 4.383 -6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -15.500 2.646 -6.685 1.00 0.00 H new ATOM 1183 N PHE A 91 -15.901 1.138 -4.338 1.00 0.00 N ATOM 1184 CA PHE A 91 -16.007 -0.263 -3.980 1.00 0.00 C ATOM 1185 C PHE A 91 -15.286 -1.052 -5.078 1.00 0.00 C ATOM 1186 O PHE A 91 -15.835 -1.978 -5.670 1.00 0.00 O ATOM 1187 CB PHE A 91 -17.478 -0.684 -3.894 1.00 0.00 C ATOM 1188 CG PHE A 91 -18.059 -0.571 -2.513 1.00 0.00 C ATOM 1189 CD1 PHE A 91 -18.024 0.633 -1.828 1.00 0.00 C ATOM 1190 CD2 PHE A 91 -18.640 -1.670 -1.901 1.00 0.00 C ATOM 1191 CE1 PHE A 91 -18.559 0.739 -0.559 1.00 0.00 C ATOM 1192 CE2 PHE A 91 -19.177 -1.571 -0.631 1.00 0.00 C ATOM 1193 CZ PHE A 91 -19.136 -0.365 0.041 1.00 0.00 C ATOM 0 H PHE A 91 -16.772 1.560 -4.660 1.00 0.00 H new ATOM 0 HA PHE A 91 -15.559 -0.453 -3.004 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -18.064 -0.068 -4.576 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -17.572 -1.715 -4.235 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -17.573 1.498 -2.292 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -18.674 -2.615 -2.422 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -18.527 1.683 -0.036 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -19.628 -2.435 -0.165 1.00 0.00 H new ATOM 0 HZ PHE A 91 -19.554 -0.284 1.034 1.00 0.00 H new ATOM 1203 N SER A 92 -14.047 -0.619 -5.360 1.00 0.00 N ATOM 1204 CA SER A 92 -13.205 -1.202 -6.394 1.00 0.00 C ATOM 1205 C SER A 92 -12.560 -2.490 -5.908 1.00 0.00 C ATOM 1206 O SER A 92 -12.868 -2.913 -4.775 1.00 0.00 O ATOM 1207 CB SER A 92 -12.108 -0.197 -6.788 1.00 0.00 C ATOM 1208 OG SER A 92 -10.994 -0.293 -5.924 1.00 0.00 O ATOM 1209 OXT SER A 92 -11.742 -3.059 -6.660 1.00 0.00 O ATOM 0 H SER A 92 -13.605 0.156 -4.865 1.00 0.00 H new ATOM 0 HA SER A 92 -13.828 -1.432 -7.258 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.793 -0.383 -7.815 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.510 0.816 -6.756 1.00 0.00 H new ATOM 0 HG SER A 92 -11.275 -0.102 -5.005 1.00 0.00 H new TER 1215 SER A 92