USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=11 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 Set 1.1: A 25 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 45 GLN : amide:sc= 0.184 X(o=0.18,f=0.038) USER MOD Single : A 1 ALA N :NH3+ 173:sc= -0.0622 (180deg=-0.119) USER MOD Single : A 9 THR OG1 : rot 83:sc= -0.458 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -148:sc= -1.34! USER MOD Single : A 48 ASN : amide:sc= -4.29 K(o=-4.3,f=-9.2!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -8.33! C(o=-8.3!,f=-9.7!) USER MOD Single : A 56 SER OG : rot -139:sc= -0.743 USER MOD Single : A 58 GLN : amide:sc= -0.392 X(o=-0.39,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -129:sc= 0.439 (180deg=-0.0721) USER MOD Single : A 63 SER OG : rot -45:sc= 0.197 USER MOD Single : A 75 SER OG : rot 133:sc= -1.36! USER MOD Single : A 92 SER OG : rot 70:sc= -2 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.802 -13.925 -22.929 1.00 0.00 N ATOM 2 CA ALA A 1 7.815 -14.943 -23.385 1.00 0.00 C ATOM 3 C ALA A 1 7.274 -15.779 -22.222 1.00 0.00 C ATOM 4 O ALA A 1 6.738 -16.868 -22.431 1.00 0.00 O ATOM 5 CB ALA A 1 8.448 -15.847 -24.430 1.00 0.00 C ATOM 0 H1 ALA A 1 9.231 -13.462 -23.756 1.00 0.00 H new ATOM 0 H2 ALA A 1 8.321 -13.212 -22.344 1.00 0.00 H new ATOM 0 H3 ALA A 1 9.545 -14.389 -22.368 1.00 0.00 H new ATOM 0 HA ALA A 1 6.971 -14.411 -23.825 1.00 0.00 H new ATOM 0 HB1 ALA A 1 7.720 -16.589 -24.758 1.00 0.00 H new ATOM 0 HB2 ALA A 1 8.767 -15.249 -25.284 1.00 0.00 H new ATOM 0 HB3 ALA A 1 9.312 -16.353 -23.998 1.00 0.00 H new ATOM 13 N VAL A 2 7.413 -15.272 -21.000 1.00 0.00 N ATOM 14 CA VAL A 2 6.936 -15.976 -19.814 1.00 0.00 C ATOM 15 C VAL A 2 5.420 -16.166 -19.850 1.00 0.00 C ATOM 16 O VAL A 2 4.722 -15.547 -20.655 1.00 0.00 O ATOM 17 CB VAL A 2 7.313 -15.232 -18.513 1.00 0.00 C ATOM 18 CG1 VAL A 2 7.255 -16.175 -17.324 1.00 0.00 C ATOM 19 CG2 VAL A 2 8.694 -14.599 -18.616 1.00 0.00 C ATOM 0 H VAL A 2 7.854 -14.373 -20.805 1.00 0.00 H new ATOM 0 HA VAL A 2 7.425 -16.950 -19.821 1.00 0.00 H new ATOM 0 HB VAL A 2 6.586 -14.433 -18.366 1.00 0.00 H new ATOM 0 HG11 VAL A 2 7.524 -15.634 -16.417 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.245 -16.573 -17.224 1.00 0.00 H new ATOM 0 HG13 VAL A 2 7.955 -16.997 -17.477 1.00 0.00 H new ATOM 0 HG21 VAL A 2 8.928 -14.084 -17.685 1.00 0.00 H new ATOM 0 HG22 VAL A 2 9.437 -15.375 -18.798 1.00 0.00 H new ATOM 0 HG23 VAL A 2 8.706 -13.884 -19.439 1.00 0.00 H new ATOM 29 N LEU A 3 4.928 -17.071 -19.009 1.00 0.00 N ATOM 30 CA LEU A 3 3.506 -17.409 -18.964 1.00 0.00 C ATOM 31 C LEU A 3 2.605 -16.248 -18.552 1.00 0.00 C ATOM 32 O LEU A 3 2.907 -15.072 -18.749 1.00 0.00 O ATOM 33 CB LEU A 3 3.209 -18.607 -18.016 1.00 0.00 C ATOM 34 CG LEU A 3 4.398 -19.320 -17.456 1.00 0.00 C ATOM 35 CD1 LEU A 3 5.079 -18.282 -16.656 1.00 0.00 C ATOM 36 CD2 LEU A 3 3.982 -20.511 -16.602 1.00 0.00 C ATOM 0 H LEU A 3 5.499 -17.589 -18.342 1.00 0.00 H new ATOM 0 HA LEU A 3 3.274 -17.679 -19.994 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.605 -18.244 -17.184 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.601 -19.330 -18.559 1.00 0.00 H new ATOM 0 HG LEU A 3 5.042 -19.742 -18.228 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.973 -18.704 -16.197 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.361 -17.451 -17.303 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.406 -17.923 -15.877 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.871 -21.006 -16.211 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.364 -20.166 -15.773 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.413 -21.214 -17.210 1.00 0.00 H new ATOM 48 N ASP A 4 1.473 -16.654 -18.008 1.00 0.00 N ATOM 49 CA ASP A 4 0.403 -15.800 -17.554 1.00 0.00 C ATOM 50 C ASP A 4 -0.177 -16.365 -16.261 1.00 0.00 C ATOM 51 O ASP A 4 -1.018 -15.752 -15.605 1.00 0.00 O ATOM 52 CB ASP A 4 -0.680 -15.846 -18.598 1.00 0.00 C ATOM 53 CG ASP A 4 -1.868 -14.968 -18.272 1.00 0.00 C ATOM 54 OD1 ASP A 4 -1.749 -13.732 -18.412 1.00 0.00 O ATOM 55 OD2 ASP A 4 -2.919 -15.513 -17.874 1.00 0.00 O ATOM 0 H ASP A 4 1.269 -17.643 -17.865 1.00 0.00 H new ATOM 0 HA ASP A 4 0.768 -14.786 -17.390 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -0.263 -15.539 -19.557 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -1.019 -16.875 -18.713 1.00 0.00 H new ATOM 60 N LEU A 5 0.277 -17.565 -15.949 1.00 0.00 N ATOM 61 CA LEU A 5 -0.142 -18.316 -14.801 1.00 0.00 C ATOM 62 C LEU A 5 0.051 -17.536 -13.507 1.00 0.00 C ATOM 63 O LEU A 5 0.178 -16.317 -13.521 1.00 0.00 O ATOM 64 CB LEU A 5 0.695 -19.585 -14.763 1.00 0.00 C ATOM 65 CG LEU A 5 0.005 -20.823 -14.210 1.00 0.00 C ATOM 66 CD1 LEU A 5 -1.421 -20.870 -14.714 1.00 0.00 C ATOM 67 CD2 LEU A 5 0.759 -22.082 -14.610 1.00 0.00 C ATOM 0 H LEU A 5 0.972 -18.053 -16.514 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.206 -18.537 -14.882 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.033 -19.804 -15.776 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.585 -19.392 -14.164 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.003 -20.772 -13.121 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.917 -21.756 -14.319 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.953 -19.978 -14.383 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.421 -20.909 -15.803 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.249 -22.956 -14.204 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.795 -22.155 -15.697 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.774 -22.039 -14.216 1.00 0.00 H new ATOM 79 N ASP A 6 0.085 -18.242 -12.384 1.00 0.00 N ATOM 80 CA ASP A 6 0.277 -17.598 -11.106 1.00 0.00 C ATOM 81 C ASP A 6 1.701 -17.074 -11.026 1.00 0.00 C ATOM 82 O ASP A 6 2.011 -16.172 -10.248 1.00 0.00 O ATOM 83 CB ASP A 6 0.007 -18.581 -9.969 1.00 0.00 C ATOM 84 CG ASP A 6 -1.278 -18.274 -9.227 1.00 0.00 C ATOM 85 OD1 ASP A 6 -1.402 -17.151 -8.695 1.00 0.00 O ATOM 86 OD2 ASP A 6 -2.161 -19.157 -9.176 1.00 0.00 O ATOM 0 H ASP A 6 -0.018 -19.256 -12.339 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.422 -16.768 -11.008 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.043 -19.592 -10.372 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.841 -18.558 -9.268 1.00 0.00 H new ATOM 91 N VAL A 7 2.556 -17.648 -11.863 1.00 0.00 N ATOM 92 CA VAL A 7 3.947 -17.260 -11.939 1.00 0.00 C ATOM 93 C VAL A 7 4.148 -16.056 -12.871 1.00 0.00 C ATOM 94 O VAL A 7 5.170 -15.942 -13.550 1.00 0.00 O ATOM 95 CB VAL A 7 4.827 -18.435 -12.400 1.00 0.00 C ATOM 96 CG1 VAL A 7 5.076 -19.377 -11.238 1.00 0.00 C ATOM 97 CG2 VAL A 7 4.177 -19.184 -13.551 1.00 0.00 C ATOM 0 H VAL A 7 2.298 -18.396 -12.507 1.00 0.00 H new ATOM 0 HA VAL A 7 4.252 -16.968 -10.934 1.00 0.00 H new ATOM 0 HB VAL A 7 5.779 -18.036 -12.751 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.700 -20.207 -11.570 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.583 -18.840 -10.436 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.124 -19.762 -10.871 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.820 -20.009 -13.857 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.211 -19.576 -13.231 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.033 -18.505 -14.392 1.00 0.00 H new ATOM 107 N ARG A 8 3.147 -15.178 -12.906 1.00 0.00 N ATOM 108 CA ARG A 8 3.156 -13.988 -13.735 1.00 0.00 C ATOM 109 C ARG A 8 4.249 -12.998 -13.320 1.00 0.00 C ATOM 110 O ARG A 8 5.176 -13.344 -12.588 1.00 0.00 O ATOM 111 CB ARG A 8 1.784 -13.325 -13.610 1.00 0.00 C ATOM 112 CG ARG A 8 0.779 -13.805 -14.626 1.00 0.00 C ATOM 113 CD ARG A 8 -0.592 -13.212 -14.349 1.00 0.00 C ATOM 114 NE ARG A 8 -1.428 -13.145 -15.546 1.00 0.00 N ATOM 115 CZ ARG A 8 -2.522 -12.390 -15.642 1.00 0.00 C ATOM 116 NH1 ARG A 8 -2.914 -11.645 -14.616 1.00 0.00 N ATOM 117 NH2 ARG A 8 -3.226 -12.377 -16.766 1.00 0.00 N ATOM 0 H ARG A 8 2.298 -15.280 -12.349 1.00 0.00 H new ATOM 0 HA ARG A 8 3.368 -14.277 -14.764 1.00 0.00 H new ATOM 0 HB2 ARG A 8 1.392 -13.510 -12.610 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.902 -12.246 -13.712 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.106 -13.526 -15.628 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.721 -14.893 -14.602 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.097 -13.811 -13.591 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.474 -12.210 -13.936 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.159 -13.708 -16.353 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.377 -11.648 -13.749 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.752 -11.069 -14.695 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.930 -12.946 -17.559 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.063 -11.798 -16.837 1.00 0.00 H new ATOM 131 N THR A 9 4.122 -11.766 -13.818 1.00 0.00 N ATOM 132 CA THR A 9 5.069 -10.688 -13.554 1.00 0.00 C ATOM 133 C THR A 9 6.357 -10.897 -14.343 1.00 0.00 C ATOM 134 O THR A 9 7.314 -11.493 -13.849 1.00 0.00 O ATOM 135 CB THR A 9 5.335 -10.548 -12.057 1.00 0.00 C ATOM 136 OG1 THR A 9 4.369 -9.699 -11.461 1.00 0.00 O ATOM 137 CG2 THR A 9 6.704 -9.991 -11.714 1.00 0.00 C ATOM 0 H THR A 9 3.349 -11.489 -14.423 1.00 0.00 H new ATOM 0 HA THR A 9 4.627 -9.750 -13.891 1.00 0.00 H new ATOM 0 HB THR A 9 5.281 -11.565 -11.669 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.559 -10.214 -11.262 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.809 -9.925 -10.631 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.475 -10.649 -12.114 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.813 -8.998 -12.150 1.00 0.00 H new ATOM 145 N CYS A 10 6.366 -10.415 -15.588 1.00 0.00 N ATOM 146 CA CYS A 10 7.535 -10.569 -16.452 1.00 0.00 C ATOM 147 C CYS A 10 8.630 -9.549 -16.108 1.00 0.00 C ATOM 148 O CYS A 10 8.907 -9.310 -14.933 1.00 0.00 O ATOM 149 CB CYS A 10 7.108 -10.465 -17.916 1.00 0.00 C ATOM 150 SG CYS A 10 6.100 -11.872 -18.479 1.00 0.00 S ATOM 0 H CYS A 10 5.584 -9.919 -16.016 1.00 0.00 H new ATOM 0 HA CYS A 10 7.966 -11.556 -16.284 1.00 0.00 H new ATOM 0 HB2 CYS A 10 6.543 -9.544 -18.057 1.00 0.00 H new ATOM 0 HB3 CYS A 10 7.998 -10.392 -18.542 1.00 0.00 H new ATOM 155 N LEU A 11 9.270 -8.965 -17.128 1.00 0.00 N ATOM 156 CA LEU A 11 10.342 -8.001 -16.904 1.00 0.00 C ATOM 157 C LEU A 11 9.812 -6.702 -16.301 1.00 0.00 C ATOM 158 O LEU A 11 8.758 -6.203 -16.696 1.00 0.00 O ATOM 159 CB LEU A 11 11.074 -7.709 -18.217 1.00 0.00 C ATOM 160 CG LEU A 11 12.597 -7.846 -18.149 1.00 0.00 C ATOM 161 CD1 LEU A 11 12.988 -9.282 -17.839 1.00 0.00 C ATOM 162 CD2 LEU A 11 13.234 -7.382 -19.451 1.00 0.00 C ATOM 0 H LEU A 11 9.062 -9.145 -18.110 1.00 0.00 H new ATOM 0 HA LEU A 11 11.040 -8.441 -16.192 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.697 -8.385 -18.985 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.829 -6.696 -18.536 1.00 0.00 H new ATOM 0 HG LEU A 11 12.966 -7.210 -17.344 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.074 -9.362 -17.794 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.563 -9.576 -16.879 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.608 -9.939 -18.621 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.317 -7.487 -19.384 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.861 -7.990 -20.275 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.981 -6.337 -19.628 1.00 0.00 H new ATOM 174 N PRO A 12 10.534 -6.139 -15.317 1.00 0.00 N ATOM 175 CA PRO A 12 10.122 -4.905 -14.655 1.00 0.00 C ATOM 176 C PRO A 12 10.154 -3.684 -15.569 1.00 0.00 C ATOM 177 O PRO A 12 10.559 -3.762 -16.730 1.00 0.00 O ATOM 178 CB PRO A 12 11.142 -4.715 -13.528 1.00 0.00 C ATOM 179 CG PRO A 12 11.904 -5.987 -13.426 1.00 0.00 C ATOM 180 CD PRO A 12 11.791 -6.669 -14.763 1.00 0.00 C ATOM 0 HA PRO A 12 9.089 -4.989 -14.317 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.809 -3.880 -13.745 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.642 -4.487 -12.587 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.948 -5.794 -13.177 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.499 -6.618 -12.635 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.641 -6.437 -15.405 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.757 -7.753 -14.658 1.00 0.00 H new ATOM 188 N CYS A 13 9.719 -2.553 -15.015 1.00 0.00 N ATOM 189 CA CYS A 13 9.663 -1.311 -15.729 1.00 0.00 C ATOM 190 C CYS A 13 10.117 -0.165 -14.833 1.00 0.00 C ATOM 191 O CYS A 13 10.661 -0.383 -13.749 1.00 0.00 O ATOM 192 CB CYS A 13 8.226 -1.065 -16.187 1.00 0.00 C ATOM 193 SG CYS A 13 7.938 -1.304 -17.967 1.00 0.00 S ATOM 0 H CYS A 13 9.396 -2.489 -14.049 1.00 0.00 H new ATOM 0 HA CYS A 13 10.326 -1.362 -16.593 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.565 -1.732 -15.634 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.945 -0.046 -15.922 1.00 0.00 H new ATOM 198 N GLY A 14 9.846 1.052 -15.278 1.00 0.00 N ATOM 199 CA GLY A 14 10.198 2.215 -14.498 1.00 0.00 C ATOM 200 C GLY A 14 11.649 2.218 -14.066 1.00 0.00 C ATOM 201 O GLY A 14 12.532 1.786 -14.807 1.00 0.00 O ATOM 0 H GLY A 14 9.388 1.253 -16.167 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.996 3.113 -15.082 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.561 2.260 -13.615 1.00 0.00 H new ATOM 205 N PRO A 15 11.916 2.730 -12.863 1.00 0.00 N ATOM 206 CA PRO A 15 13.263 2.831 -12.305 1.00 0.00 C ATOM 207 C PRO A 15 13.718 1.552 -11.591 1.00 0.00 C ATOM 208 O PRO A 15 13.433 1.353 -10.410 1.00 0.00 O ATOM 209 CB PRO A 15 13.073 3.983 -11.323 1.00 0.00 C ATOM 210 CG PRO A 15 11.723 3.739 -10.768 1.00 0.00 C ATOM 211 CD PRO A 15 10.906 3.293 -11.948 1.00 0.00 C ATOM 0 HA PRO A 15 14.038 2.984 -13.057 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.835 3.977 -10.544 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.134 4.950 -11.821 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.746 2.976 -9.990 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.310 4.642 -10.318 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.161 2.550 -11.664 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.369 4.125 -12.404 1.00 0.00 H new ATOM 219 N GLY A 16 14.434 0.691 -12.321 1.00 0.00 N ATOM 220 CA GLY A 16 14.924 -0.557 -11.747 1.00 0.00 C ATOM 221 C GLY A 16 13.968 -1.713 -11.971 1.00 0.00 C ATOM 222 O GLY A 16 14.252 -2.627 -12.746 1.00 0.00 O ATOM 0 H GLY A 16 14.683 0.836 -13.299 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.892 -0.800 -12.186 1.00 0.00 H new ATOM 0 HA3 GLY A 16 15.083 -0.423 -10.677 1.00 0.00 H new ATOM 226 N GLY A 17 12.824 -1.659 -11.303 1.00 0.00 N ATOM 227 CA GLY A 17 11.819 -2.683 -11.444 1.00 0.00 C ATOM 228 C GLY A 17 10.598 -2.392 -10.618 1.00 0.00 C ATOM 229 O GLY A 17 9.968 -3.282 -10.046 1.00 0.00 O ATOM 0 H GLY A 17 12.576 -0.910 -10.657 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.535 -2.770 -12.493 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.237 -3.645 -11.146 1.00 0.00 H new ATOM 233 N LYS A 18 10.282 -1.122 -10.582 1.00 0.00 N ATOM 234 CA LYS A 18 9.149 -0.601 -9.863 1.00 0.00 C ATOM 235 C LYS A 18 7.856 -1.061 -10.493 1.00 0.00 C ATOM 236 O LYS A 18 6.823 -1.175 -9.835 1.00 0.00 O ATOM 237 CB LYS A 18 9.214 0.902 -9.943 1.00 0.00 C ATOM 238 CG LYS A 18 9.689 1.580 -8.701 1.00 0.00 C ATOM 239 CD LYS A 18 10.739 0.757 -7.998 1.00 0.00 C ATOM 240 CE LYS A 18 11.281 1.463 -6.767 1.00 0.00 C ATOM 241 NZ LYS A 18 10.571 1.050 -5.526 1.00 0.00 N ATOM 0 H LYS A 18 10.821 -0.403 -11.065 1.00 0.00 H new ATOM 0 HA LYS A 18 9.177 -0.953 -8.832 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.874 1.179 -10.765 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.222 1.281 -10.189 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.098 2.559 -8.952 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.846 1.749 -8.031 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.313 -0.204 -7.708 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.558 0.548 -8.687 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.344 1.247 -6.665 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.186 2.541 -6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.973 1.556 -4.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.560 1.279 -5.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.683 0.025 -5.387 1.00 0.00 H new ATOM 255 N GLY A 19 7.952 -1.363 -11.762 1.00 0.00 N ATOM 256 CA GLY A 19 6.840 -1.860 -12.511 1.00 0.00 C ATOM 257 C GLY A 19 7.244 -2.963 -13.463 1.00 0.00 C ATOM 258 O GLY A 19 8.194 -3.701 -13.221 1.00 0.00 O ATOM 0 H GLY A 19 8.812 -1.268 -12.303 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.079 -2.234 -11.825 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.388 -1.043 -13.074 1.00 0.00 H new ATOM 262 N ARG A 20 6.507 -3.035 -14.552 1.00 0.00 N ATOM 263 CA ARG A 20 6.739 -4.011 -15.591 1.00 0.00 C ATOM 264 C ARG A 20 6.113 -3.532 -16.897 1.00 0.00 C ATOM 265 O ARG A 20 5.373 -2.552 -16.911 1.00 0.00 O ATOM 266 CB ARG A 20 6.162 -5.351 -15.172 1.00 0.00 C ATOM 267 CG ARG A 20 4.658 -5.352 -15.176 1.00 0.00 C ATOM 268 CD ARG A 20 4.105 -6.659 -15.693 1.00 0.00 C ATOM 269 NE ARG A 20 3.194 -7.283 -14.737 1.00 0.00 N ATOM 270 CZ ARG A 20 3.556 -7.690 -13.524 1.00 0.00 C ATOM 271 NH1 ARG A 20 4.821 -7.594 -13.133 1.00 0.00 N ATOM 272 NH2 ARG A 20 2.655 -8.211 -12.703 1.00 0.00 N ATOM 0 H ARG A 20 5.723 -2.410 -14.741 1.00 0.00 H new ATOM 0 HA ARG A 20 7.811 -4.132 -15.748 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.525 -6.127 -15.846 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.521 -5.602 -14.174 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.291 -5.175 -14.165 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.295 -4.532 -15.795 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.581 -6.485 -16.633 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.928 -7.341 -15.908 1.00 0.00 H new ATOM 0 HE ARG A 20 2.222 -7.414 -15.017 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.522 -7.206 -13.764 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.092 -7.908 -12.201 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.684 -8.300 -13.002 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.933 -8.523 -11.773 1.00 0.00 H new ATOM 286 N CYS A 21 6.393 -4.235 -17.979 1.00 0.00 N ATOM 287 CA CYS A 21 5.846 -3.890 -19.283 1.00 0.00 C ATOM 288 C CYS A 21 4.657 -4.765 -19.586 1.00 0.00 C ATOM 289 O CYS A 21 4.738 -5.986 -19.450 1.00 0.00 O ATOM 290 CB CYS A 21 6.897 -4.110 -20.347 1.00 0.00 C ATOM 291 SG CYS A 21 7.763 -2.604 -20.882 1.00 0.00 S ATOM 0 H CYS A 21 7.000 -5.055 -17.982 1.00 0.00 H new ATOM 0 HA CYS A 21 5.540 -2.844 -19.273 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.632 -4.821 -19.971 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.425 -4.569 -21.215 1.00 0.00 H new ATOM 296 N PHE A 22 3.542 -4.168 -19.963 1.00 0.00 N ATOM 297 CA PHE A 22 2.339 -4.942 -20.234 1.00 0.00 C ATOM 298 C PHE A 22 2.168 -5.275 -21.715 1.00 0.00 C ATOM 299 O PHE A 22 1.240 -5.995 -22.086 1.00 0.00 O ATOM 300 CB PHE A 22 1.134 -4.161 -19.722 1.00 0.00 C ATOM 301 CG PHE A 22 1.009 -4.212 -18.235 1.00 0.00 C ATOM 302 CD1 PHE A 22 2.112 -3.954 -17.432 1.00 0.00 C ATOM 303 CD2 PHE A 22 -0.203 -4.503 -17.637 1.00 0.00 C ATOM 304 CE1 PHE A 22 1.999 -3.992 -16.058 1.00 0.00 C ATOM 305 CE2 PHE A 22 -0.320 -4.545 -16.263 1.00 0.00 C ATOM 306 CZ PHE A 22 0.782 -4.289 -15.473 1.00 0.00 C ATOM 0 H PHE A 22 3.441 -3.161 -20.088 1.00 0.00 H new ATOM 0 HA PHE A 22 2.427 -5.897 -19.716 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.216 -3.122 -20.041 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.227 -4.562 -20.174 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.064 -3.722 -17.886 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.068 -4.700 -18.253 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.861 -3.790 -15.439 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.271 -4.778 -15.807 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.694 -4.321 -14.397 1.00 0.00 H new ATOM 316 N GLY A 23 3.075 -4.787 -22.559 1.00 0.00 N ATOM 317 CA GLY A 23 2.973 -5.112 -23.971 1.00 0.00 C ATOM 318 C GLY A 23 3.388 -4.018 -24.941 1.00 0.00 C ATOM 319 O GLY A 23 4.419 -4.145 -25.600 1.00 0.00 O ATOM 0 H GLY A 23 3.859 -4.188 -22.300 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.585 -5.993 -24.165 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.940 -5.387 -24.186 1.00 0.00 H new ATOM 323 N PRO A 24 2.575 -2.957 -25.114 1.00 0.00 N ATOM 324 CA PRO A 24 2.858 -1.903 -26.076 1.00 0.00 C ATOM 325 C PRO A 24 3.456 -0.652 -25.463 1.00 0.00 C ATOM 326 O PRO A 24 2.731 0.193 -24.939 1.00 0.00 O ATOM 327 CB PRO A 24 1.458 -1.618 -26.601 1.00 0.00 C ATOM 328 CG PRO A 24 0.565 -1.795 -25.413 1.00 0.00 C ATOM 329 CD PRO A 24 1.282 -2.715 -24.447 1.00 0.00 C ATOM 0 HA PRO A 24 3.599 -2.199 -26.818 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.384 -0.608 -27.005 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.189 -2.304 -27.405 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.354 -0.834 -24.944 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.393 -2.221 -25.712 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.413 -2.250 -23.470 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.731 -3.642 -24.288 1.00 0.00 H new ATOM 337 N SER A 25 4.784 -0.530 -25.536 1.00 0.00 N ATOM 338 CA SER A 25 5.475 0.634 -24.985 1.00 0.00 C ATOM 339 C SER A 25 4.840 1.050 -23.670 1.00 0.00 C ATOM 340 O SER A 25 4.781 2.232 -23.343 1.00 0.00 O ATOM 341 CB SER A 25 5.408 1.801 -25.972 1.00 0.00 C ATOM 342 OG SER A 25 6.567 2.611 -25.882 1.00 0.00 O ATOM 0 H SER A 25 5.398 -1.220 -25.969 1.00 0.00 H new ATOM 0 HA SER A 25 6.517 0.366 -24.811 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.306 1.418 -26.987 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.523 2.403 -25.769 1.00 0.00 H new ATOM 0 HG SER A 25 6.501 3.349 -26.524 1.00 0.00 H new ATOM 348 N ILE A 26 4.328 0.070 -22.937 1.00 0.00 N ATOM 349 CA ILE A 26 3.652 0.342 -21.687 1.00 0.00 C ATOM 350 C ILE A 26 4.415 -0.188 -20.478 1.00 0.00 C ATOM 351 O ILE A 26 5.166 -1.162 -20.564 1.00 0.00 O ATOM 352 CB ILE A 26 2.242 -0.251 -21.700 1.00 0.00 C ATOM 353 CG1 ILE A 26 1.289 0.625 -20.920 1.00 0.00 C ATOM 354 CG2 ILE A 26 2.257 -1.625 -21.095 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.152 0.381 -21.306 1.00 0.00 C ATOM 0 H ILE A 26 4.371 -0.917 -23.191 1.00 0.00 H new ATOM 0 HA ILE A 26 3.598 1.427 -21.594 1.00 0.00 H new ATOM 0 HB ILE A 26 1.906 -0.309 -22.735 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.415 0.438 -19.854 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.537 1.672 -21.091 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.249 -2.039 -21.108 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.922 -2.269 -21.671 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.611 -1.566 -20.066 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.801 1.032 -20.720 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.286 0.594 -22.367 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.410 -0.660 -21.110 1.00 0.00 H new ATOM 367 N CYS A 27 4.183 0.472 -19.356 1.00 0.00 N ATOM 368 CA CYS A 27 4.808 0.155 -18.102 1.00 0.00 C ATOM 369 C CYS A 27 3.834 0.383 -16.948 1.00 0.00 C ATOM 370 O CYS A 27 3.102 1.374 -16.925 1.00 0.00 O ATOM 371 CB CYS A 27 5.995 1.081 -17.917 1.00 0.00 C ATOM 372 SG CYS A 27 7.556 0.550 -18.702 1.00 0.00 S ATOM 0 H CYS A 27 3.538 1.260 -19.300 1.00 0.00 H new ATOM 0 HA CYS A 27 5.117 -0.890 -18.107 1.00 0.00 H new ATOM 0 HB2 CYS A 27 5.729 2.062 -18.310 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.172 1.203 -16.848 1.00 0.00 H new ATOM 377 N CYS A 28 3.839 -0.517 -15.984 1.00 0.00 N ATOM 378 CA CYS A 28 2.974 -0.396 -14.838 1.00 0.00 C ATOM 379 C CYS A 28 3.745 -0.718 -13.573 1.00 0.00 C ATOM 380 O CYS A 28 4.245 -1.832 -13.411 1.00 0.00 O ATOM 381 CB CYS A 28 1.783 -1.334 -14.994 1.00 0.00 C ATOM 382 SG CYS A 28 0.181 -0.613 -14.539 1.00 0.00 S ATOM 0 H CYS A 28 4.438 -1.343 -15.977 1.00 0.00 H new ATOM 0 HA CYS A 28 2.606 0.628 -14.767 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.734 -1.667 -16.031 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.954 -2.220 -14.382 1.00 0.00 H new ATOM 387 N GLY A 29 3.844 0.249 -12.676 1.00 0.00 N ATOM 388 CA GLY A 29 4.543 0.039 -11.452 1.00 0.00 C ATOM 389 C GLY A 29 3.592 0.073 -10.266 1.00 0.00 C ATOM 390 O GLY A 29 2.458 0.532 -10.403 1.00 0.00 O ATOM 0 H GLY A 29 3.444 1.181 -12.787 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.056 -0.922 -11.483 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.308 0.806 -11.331 1.00 0.00 H new ATOM 394 N ASP A 30 4.032 -0.392 -9.099 1.00 0.00 N ATOM 395 CA ASP A 30 3.177 -0.373 -7.924 1.00 0.00 C ATOM 396 C ASP A 30 3.089 1.056 -7.414 1.00 0.00 C ATOM 397 O ASP A 30 2.090 1.745 -7.620 1.00 0.00 O ATOM 398 CB ASP A 30 3.731 -1.298 -6.835 1.00 0.00 C ATOM 399 CG ASP A 30 2.792 -2.446 -6.517 1.00 0.00 C ATOM 400 OD1 ASP A 30 1.669 -2.179 -6.041 1.00 0.00 O ATOM 401 OD2 ASP A 30 3.182 -3.611 -6.742 1.00 0.00 O ATOM 0 H ASP A 30 4.963 -0.781 -8.946 1.00 0.00 H new ATOM 0 HA ASP A 30 2.183 -0.734 -8.189 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.693 -1.698 -7.157 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.913 -0.720 -5.929 1.00 0.00 H new ATOM 406 N GLU A 31 4.177 1.516 -6.816 1.00 0.00 N ATOM 407 CA GLU A 31 4.284 2.880 -6.345 1.00 0.00 C ATOM 408 C GLU A 31 4.541 3.800 -7.539 1.00 0.00 C ATOM 409 O GLU A 31 4.744 5.005 -7.394 1.00 0.00 O ATOM 410 CB GLU A 31 5.453 2.991 -5.369 1.00 0.00 C ATOM 411 CG GLU A 31 6.799 2.655 -6.006 1.00 0.00 C ATOM 412 CD GLU A 31 7.843 3.728 -5.768 1.00 0.00 C ATOM 413 OE1 GLU A 31 8.157 4.001 -4.590 1.00 0.00 O ATOM 414 OE2 GLU A 31 8.348 4.296 -6.758 1.00 0.00 O ATOM 0 H GLU A 31 5.009 0.951 -6.645 1.00 0.00 H new ATOM 0 HA GLU A 31 3.360 3.168 -5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.490 4.004 -4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.280 2.322 -4.526 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.160 1.708 -5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.664 2.517 -7.079 1.00 0.00 H new ATOM 421 N LEU A 32 4.625 3.172 -8.708 1.00 0.00 N ATOM 422 CA LEU A 32 4.960 3.818 -9.953 1.00 0.00 C ATOM 423 C LEU A 32 3.751 4.188 -10.807 1.00 0.00 C ATOM 424 O LEU A 32 3.815 5.110 -11.618 1.00 0.00 O ATOM 425 CB LEU A 32 5.793 2.796 -10.686 1.00 0.00 C ATOM 426 CG LEU A 32 7.155 3.175 -11.211 1.00 0.00 C ATOM 427 CD1 LEU A 32 7.485 2.218 -12.334 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.250 4.622 -11.675 1.00 0.00 C ATOM 0 H LEU A 32 4.455 2.171 -8.808 1.00 0.00 H new ATOM 0 HA LEU A 32 5.466 4.764 -9.758 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.928 1.946 -10.017 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.204 2.444 -11.533 1.00 0.00 H new ATOM 0 HG LEU A 32 7.878 3.098 -10.399 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.466 2.460 -12.742 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.493 1.197 -11.952 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.734 2.306 -13.119 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.258 4.822 -12.039 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.533 4.794 -12.478 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.027 5.287 -10.841 1.00 0.00 H new ATOM 440 N GLY A 33 2.664 3.464 -10.637 1.00 0.00 N ATOM 441 CA GLY A 33 1.479 3.727 -11.423 1.00 0.00 C ATOM 442 C GLY A 33 1.531 3.059 -12.782 1.00 0.00 C ATOM 443 O GLY A 33 2.225 2.061 -12.967 1.00 0.00 O ATOM 0 H GLY A 33 2.577 2.698 -9.969 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.601 3.376 -10.881 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.364 4.803 -11.554 1.00 0.00 H new ATOM 447 N CYS A 34 0.797 3.598 -13.740 1.00 0.00 N ATOM 448 CA CYS A 34 0.770 3.019 -15.080 1.00 0.00 C ATOM 449 C CYS A 34 0.873 4.080 -16.168 1.00 0.00 C ATOM 450 O CYS A 34 -0.006 4.930 -16.305 1.00 0.00 O ATOM 451 CB CYS A 34 -0.514 2.218 -15.275 1.00 0.00 C ATOM 452 SG CYS A 34 -0.263 0.612 -16.089 1.00 0.00 S ATOM 0 H CYS A 34 0.216 4.428 -13.621 1.00 0.00 H new ATOM 0 HA CYS A 34 1.638 2.366 -15.167 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.979 2.053 -14.303 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.213 2.809 -15.867 1.00 0.00 H new ATOM 457 N PHE A 35 1.954 4.017 -16.942 1.00 0.00 N ATOM 458 CA PHE A 35 2.181 4.974 -18.035 1.00 0.00 C ATOM 459 C PHE A 35 2.368 4.254 -19.369 1.00 0.00 C ATOM 460 O PHE A 35 3.051 3.234 -19.434 1.00 0.00 O ATOM 461 CB PHE A 35 3.431 5.839 -17.788 1.00 0.00 C ATOM 462 CG PHE A 35 4.022 5.763 -16.409 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.462 4.558 -15.886 1.00 0.00 C ATOM 464 CD2 PHE A 35 4.143 6.906 -15.639 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.006 4.493 -14.624 1.00 0.00 C ATOM 466 CE2 PHE A 35 4.691 6.846 -14.372 1.00 0.00 C ATOM 467 CZ PHE A 35 5.121 5.634 -13.867 1.00 0.00 C ATOM 0 H PHE A 35 2.688 3.317 -16.837 1.00 0.00 H new ATOM 0 HA PHE A 35 1.296 5.610 -18.069 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.197 5.549 -18.507 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.176 6.878 -17.996 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.377 3.658 -16.477 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.806 7.854 -16.032 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.342 3.546 -14.229 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.783 7.744 -13.778 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.548 5.583 -12.876 1.00 0.00 H new ATOM 477 N VAL A 36 1.802 4.808 -20.439 1.00 0.00 N ATOM 478 CA VAL A 36 1.968 4.216 -21.762 1.00 0.00 C ATOM 479 C VAL A 36 2.982 5.002 -22.571 1.00 0.00 C ATOM 480 O VAL A 36 2.669 6.042 -23.151 1.00 0.00 O ATOM 481 CB VAL A 36 0.656 4.132 -22.563 1.00 0.00 C ATOM 482 CG1 VAL A 36 0.764 3.058 -23.637 1.00 0.00 C ATOM 483 CG2 VAL A 36 -0.525 3.860 -21.648 1.00 0.00 C ATOM 0 H VAL A 36 1.232 5.654 -20.417 1.00 0.00 H new ATOM 0 HA VAL A 36 2.316 3.198 -21.590 1.00 0.00 H new ATOM 0 HB VAL A 36 0.487 5.094 -23.047 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.170 3.008 -24.197 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.581 3.303 -24.316 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.958 2.093 -23.168 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.439 3.806 -22.240 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.372 2.914 -21.128 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.613 4.665 -20.918 1.00 0.00 H new ATOM 493 N GLY A 37 4.198 4.489 -22.602 1.00 0.00 N ATOM 494 CA GLY A 37 5.267 5.142 -23.343 1.00 0.00 C ATOM 495 C GLY A 37 5.707 6.455 -22.712 1.00 0.00 C ATOM 496 O GLY A 37 6.471 7.215 -23.308 1.00 0.00 O ATOM 0 H GLY A 37 4.471 3.629 -22.127 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.123 4.470 -23.405 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.933 5.329 -24.364 1.00 0.00 H new ATOM 500 N THR A 38 5.223 6.714 -21.503 1.00 0.00 N ATOM 501 CA THR A 38 5.566 7.925 -20.765 1.00 0.00 C ATOM 502 C THR A 38 7.005 7.835 -20.274 1.00 0.00 C ATOM 503 O THR A 38 7.574 6.747 -20.238 1.00 0.00 O ATOM 504 CB THR A 38 4.617 8.070 -19.572 1.00 0.00 C ATOM 505 OG1 THR A 38 3.292 7.739 -19.948 1.00 0.00 O ATOM 506 CG2 THR A 38 4.576 9.453 -18.958 1.00 0.00 C ATOM 0 H THR A 38 4.584 6.093 -21.007 1.00 0.00 H new ATOM 0 HA THR A 38 5.468 8.794 -21.416 1.00 0.00 H new ATOM 0 HB THR A 38 5.018 7.385 -18.825 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.660 8.276 -19.426 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.878 9.459 -18.121 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.570 9.723 -18.603 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.250 10.174 -19.708 1.00 0.00 H new ATOM 514 N ALA A 39 7.587 8.966 -19.878 1.00 0.00 N ATOM 515 CA ALA A 39 8.959 8.981 -19.368 1.00 0.00 C ATOM 516 C ALA A 39 9.216 7.766 -18.475 1.00 0.00 C ATOM 517 O ALA A 39 10.103 6.961 -18.738 1.00 0.00 O ATOM 518 CB ALA A 39 9.215 10.267 -18.595 1.00 0.00 C ATOM 0 H ALA A 39 7.134 9.880 -19.900 1.00 0.00 H new ATOM 0 HA ALA A 39 9.644 8.935 -20.215 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.238 10.268 -18.220 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.069 11.123 -19.254 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.521 10.332 -17.757 1.00 0.00 H new ATOM 524 N GLU A 40 8.427 7.649 -17.416 1.00 0.00 N ATOM 525 CA GLU A 40 8.552 6.540 -16.473 1.00 0.00 C ATOM 526 C GLU A 40 8.018 5.223 -17.054 1.00 0.00 C ATOM 527 O GLU A 40 7.865 4.237 -16.330 1.00 0.00 O ATOM 528 CB GLU A 40 7.824 6.870 -15.177 1.00 0.00 C ATOM 529 CG GLU A 40 8.758 7.160 -14.013 1.00 0.00 C ATOM 530 CD GLU A 40 9.253 8.591 -14.004 1.00 0.00 C ATOM 531 OE1 GLU A 40 9.693 9.075 -15.068 1.00 0.00 O ATOM 532 OE2 GLU A 40 9.204 9.229 -12.931 1.00 0.00 O ATOM 0 H GLU A 40 7.687 8.312 -17.185 1.00 0.00 H new ATOM 0 HA GLU A 40 9.614 6.403 -16.272 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.181 7.735 -15.341 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.174 6.036 -14.912 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.240 6.953 -13.077 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.612 6.485 -14.061 1.00 0.00 H new ATOM 539 N ALA A 41 7.703 5.220 -18.346 1.00 0.00 N ATOM 540 CA ALA A 41 7.157 4.041 -19.010 1.00 0.00 C ATOM 541 C ALA A 41 7.895 3.707 -20.300 1.00 0.00 C ATOM 542 O ALA A 41 7.569 2.733 -20.984 1.00 0.00 O ATOM 543 CB ALA A 41 5.720 4.290 -19.341 1.00 0.00 C ATOM 0 H ALA A 41 7.818 6.028 -18.958 1.00 0.00 H new ATOM 0 HA ALA A 41 7.271 3.199 -18.327 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.304 3.414 -19.838 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.164 4.486 -18.424 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.643 5.153 -20.003 1.00 0.00 H new ATOM 549 N LEU A 42 8.919 4.479 -20.600 1.00 0.00 N ATOM 550 CA LEU A 42 9.741 4.240 -21.768 1.00 0.00 C ATOM 551 C LEU A 42 10.499 2.922 -21.631 1.00 0.00 C ATOM 552 O LEU A 42 11.092 2.429 -22.590 1.00 0.00 O ATOM 553 CB LEU A 42 10.728 5.398 -21.979 1.00 0.00 C ATOM 554 CG LEU A 42 11.582 5.817 -20.762 1.00 0.00 C ATOM 555 CD1 LEU A 42 11.439 4.855 -19.588 1.00 0.00 C ATOM 556 CD2 LEU A 42 13.046 5.944 -21.159 1.00 0.00 C ATOM 0 H LEU A 42 9.204 5.286 -20.044 1.00 0.00 H new ATOM 0 HA LEU A 42 9.086 4.176 -22.637 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.403 5.125 -22.790 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.164 6.268 -22.314 1.00 0.00 H new ATOM 0 HG LEU A 42 11.209 6.787 -20.432 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.060 5.197 -18.760 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.397 4.821 -19.270 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.758 3.858 -19.893 1.00 0.00 H new ATOM 0 HD21 LEU A 42 13.634 6.240 -20.290 1.00 0.00 H new ATOM 0 HD22 LEU A 42 13.406 4.985 -21.532 1.00 0.00 H new ATOM 0 HD23 LEU A 42 13.147 6.698 -21.940 1.00 0.00 H new ATOM 568 N ARG A 43 10.478 2.367 -20.423 1.00 0.00 N ATOM 569 CA ARG A 43 11.159 1.122 -20.120 1.00 0.00 C ATOM 570 C ARG A 43 10.860 0.026 -21.133 1.00 0.00 C ATOM 571 O ARG A 43 11.598 -0.948 -21.223 1.00 0.00 O ATOM 572 CB ARG A 43 10.768 0.653 -18.727 1.00 0.00 C ATOM 573 CG ARG A 43 11.936 0.615 -17.758 1.00 0.00 C ATOM 574 CD ARG A 43 12.581 1.986 -17.616 1.00 0.00 C ATOM 575 NE ARG A 43 11.695 2.944 -16.963 1.00 0.00 N ATOM 576 CZ ARG A 43 12.087 4.139 -16.529 1.00 0.00 C ATOM 577 NH1 ARG A 43 13.347 4.526 -16.676 1.00 0.00 N ATOM 578 NH2 ARG A 43 11.217 4.953 -15.953 1.00 0.00 N ATOM 0 H ARG A 43 9.985 2.773 -19.627 1.00 0.00 H new ATOM 0 HA ARG A 43 12.230 1.320 -20.168 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.997 1.315 -18.331 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.329 -0.342 -18.796 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.591 0.270 -16.783 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.677 -0.104 -18.107 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.503 1.895 -17.041 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.856 2.361 -18.602 1.00 0.00 H new ATOM 0 HE ARG A 43 10.718 2.682 -16.832 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.022 3.906 -17.124 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.641 5.443 -16.341 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.245 4.664 -15.841 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.518 5.869 -15.621 1.00 0.00 H new ATOM 592 N CYS A 44 9.783 0.166 -21.886 1.00 0.00 N ATOM 593 CA CYS A 44 9.444 -0.851 -22.868 1.00 0.00 C ATOM 594 C CYS A 44 10.359 -0.780 -24.077 1.00 0.00 C ATOM 595 O CYS A 44 10.509 -1.758 -24.808 1.00 0.00 O ATOM 596 CB CYS A 44 7.982 -0.770 -23.276 1.00 0.00 C ATOM 597 SG CYS A 44 6.980 -2.182 -22.706 1.00 0.00 S ATOM 0 H CYS A 44 9.140 0.956 -21.840 1.00 0.00 H new ATOM 0 HA CYS A 44 9.597 -1.821 -22.395 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.554 0.151 -22.879 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.921 -0.708 -24.362 1.00 0.00 H new ATOM 602 N GLN A 45 11.018 0.356 -24.254 1.00 0.00 N ATOM 603 CA GLN A 45 11.968 0.503 -25.331 1.00 0.00 C ATOM 604 C GLN A 45 13.101 -0.494 -25.093 1.00 0.00 C ATOM 605 O GLN A 45 13.822 -0.895 -26.005 1.00 0.00 O ATOM 606 CB GLN A 45 12.499 1.932 -25.366 1.00 0.00 C ATOM 607 CG GLN A 45 11.856 2.798 -26.439 1.00 0.00 C ATOM 608 CD GLN A 45 10.364 2.982 -26.231 1.00 0.00 C ATOM 609 OE1 GLN A 45 9.572 2.826 -27.161 1.00 0.00 O ATOM 610 NE2 GLN A 45 9.972 3.319 -25.008 1.00 0.00 N ATOM 0 H GLN A 45 10.909 1.182 -23.665 1.00 0.00 H new ATOM 0 HA GLN A 45 11.496 0.303 -26.293 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.336 2.395 -24.393 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.576 1.906 -25.530 1.00 0.00 H new ATOM 0 HG2 GLN A 45 12.340 3.775 -26.449 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.029 2.346 -27.416 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.662 3.438 -24.266 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.981 3.459 -24.810 1.00 0.00 H new ATOM 619 N GLU A 46 13.202 -0.894 -23.827 1.00 0.00 N ATOM 620 CA GLU A 46 14.174 -1.854 -23.369 1.00 0.00 C ATOM 621 C GLU A 46 13.761 -3.259 -23.800 1.00 0.00 C ATOM 622 O GLU A 46 14.582 -4.178 -23.855 1.00 0.00 O ATOM 623 CB GLU A 46 14.241 -1.775 -21.854 1.00 0.00 C ATOM 624 CG GLU A 46 15.153 -0.678 -21.347 1.00 0.00 C ATOM 625 CD GLU A 46 15.145 -0.563 -19.835 1.00 0.00 C ATOM 626 OE1 GLU A 46 15.335 -1.597 -19.160 1.00 0.00 O ATOM 627 OE2 GLU A 46 14.948 0.560 -19.327 1.00 0.00 O ATOM 0 H GLU A 46 12.594 -0.547 -23.086 1.00 0.00 H new ATOM 0 HA GLU A 46 15.151 -1.635 -23.800 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.237 -1.612 -21.462 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.585 -2.732 -21.463 1.00 0.00 H new ATOM 0 HG2 GLU A 46 16.170 -0.871 -21.687 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.846 0.274 -21.781 1.00 0.00 H new ATOM 634 N GLU A 47 12.479 -3.412 -24.123 1.00 0.00 N ATOM 635 CA GLU A 47 11.948 -4.696 -24.560 1.00 0.00 C ATOM 636 C GLU A 47 12.326 -4.982 -26.013 1.00 0.00 C ATOM 637 O GLU A 47 11.972 -6.027 -26.558 1.00 0.00 O ATOM 638 CB GLU A 47 10.427 -4.722 -24.405 1.00 0.00 C ATOM 639 CG GLU A 47 9.866 -6.106 -24.123 1.00 0.00 C ATOM 640 CD GLU A 47 9.969 -6.489 -22.660 1.00 0.00 C ATOM 641 OE1 GLU A 47 9.565 -5.674 -21.803 1.00 0.00 O ATOM 642 OE2 GLU A 47 10.451 -7.604 -22.370 1.00 0.00 O ATOM 0 H GLU A 47 11.790 -2.661 -24.090 1.00 0.00 H new ATOM 0 HA GLU A 47 12.386 -5.471 -23.931 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.142 -4.052 -23.594 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.971 -4.333 -25.315 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.821 -6.140 -24.431 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.400 -6.840 -24.726 1.00 0.00 H new ATOM 649 N ASN A 48 13.052 -4.054 -26.634 1.00 0.00 N ATOM 650 CA ASN A 48 13.475 -4.219 -28.009 1.00 0.00 C ATOM 651 C ASN A 48 14.620 -5.226 -28.114 1.00 0.00 C ATOM 652 O ASN A 48 15.042 -5.580 -29.214 1.00 0.00 O ATOM 653 CB ASN A 48 13.910 -2.872 -28.594 1.00 0.00 C ATOM 654 CG ASN A 48 15.127 -2.303 -27.891 1.00 0.00 C ATOM 655 OD1 ASN A 48 15.672 -2.917 -26.975 1.00 0.00 O ATOM 656 ND2 ASN A 48 15.555 -1.120 -28.314 1.00 0.00 N ATOM 0 H ASN A 48 13.356 -3.182 -26.200 1.00 0.00 H new ATOM 0 HA ASN A 48 12.628 -4.601 -28.579 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.130 -2.994 -29.655 1.00 0.00 H new ATOM 0 HB3 ASN A 48 13.086 -2.163 -28.519 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.367 -0.685 -27.876 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.072 -0.646 -29.077 1.00 0.00 H new ATOM 663 N TYR A 49 15.117 -5.689 -26.965 1.00 0.00 N ATOM 664 CA TYR A 49 16.213 -6.657 -26.944 1.00 0.00 C ATOM 665 C TYR A 49 15.684 -8.086 -26.821 1.00 0.00 C ATOM 666 O TYR A 49 16.404 -9.047 -27.094 1.00 0.00 O ATOM 667 CB TYR A 49 17.159 -6.358 -25.779 1.00 0.00 C ATOM 668 CG TYR A 49 18.070 -5.179 -26.030 1.00 0.00 C ATOM 669 CD1 TYR A 49 19.231 -5.320 -26.781 1.00 0.00 C ATOM 670 CD2 TYR A 49 17.767 -3.923 -25.521 1.00 0.00 C ATOM 671 CE1 TYR A 49 20.063 -4.243 -27.017 1.00 0.00 C ATOM 672 CE2 TYR A 49 18.594 -2.841 -25.753 1.00 0.00 C ATOM 673 CZ TYR A 49 19.741 -3.006 -26.502 1.00 0.00 C ATOM 674 OH TYR A 49 20.567 -1.931 -26.734 1.00 0.00 O ATOM 0 H TYR A 49 14.780 -5.411 -26.043 1.00 0.00 H new ATOM 0 HA TYR A 49 16.756 -6.569 -27.885 1.00 0.00 H new ATOM 0 HB2 TYR A 49 16.569 -6.167 -24.882 1.00 0.00 H new ATOM 0 HB3 TYR A 49 17.767 -7.241 -25.579 1.00 0.00 H new ATOM 0 HD1 TYR A 49 19.487 -6.288 -27.187 1.00 0.00 H new ATOM 0 HD2 TYR A 49 16.870 -3.790 -24.934 1.00 0.00 H new ATOM 0 HE1 TYR A 49 20.962 -4.370 -27.602 1.00 0.00 H new ATOM 0 HE2 TYR A 49 18.344 -1.871 -25.350 1.00 0.00 H new ATOM 0 HH TYR A 49 20.195 -1.134 -26.302 1.00 0.00 H new ATOM 684 N LEU A 50 14.423 -8.219 -26.418 1.00 0.00 N ATOM 685 CA LEU A 50 13.799 -9.529 -26.268 1.00 0.00 C ATOM 686 C LEU A 50 12.373 -9.501 -26.811 1.00 0.00 C ATOM 687 O LEU A 50 11.411 -9.372 -26.053 1.00 0.00 O ATOM 688 CB LEU A 50 13.794 -9.955 -24.795 1.00 0.00 C ATOM 689 CG LEU A 50 14.692 -11.149 -24.451 1.00 0.00 C ATOM 690 CD1 LEU A 50 14.357 -12.348 -25.327 1.00 0.00 C ATOM 691 CD2 LEU A 50 16.161 -10.772 -24.591 1.00 0.00 C ATOM 0 H LEU A 50 13.813 -7.434 -26.189 1.00 0.00 H new ATOM 0 HA LEU A 50 14.379 -10.255 -26.839 1.00 0.00 H new ATOM 0 HB2 LEU A 50 14.102 -9.104 -24.188 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.771 -10.198 -24.508 1.00 0.00 H new ATOM 0 HG LEU A 50 14.507 -11.427 -23.413 1.00 0.00 H new ATOM 0 HD11 LEU A 50 15.007 -13.183 -25.065 1.00 0.00 H new ATOM 0 HD12 LEU A 50 13.317 -12.634 -25.170 1.00 0.00 H new ATOM 0 HD13 LEU A 50 14.507 -12.087 -26.374 1.00 0.00 H new ATOM 0 HD21 LEU A 50 16.783 -11.632 -24.343 1.00 0.00 H new ATOM 0 HD22 LEU A 50 16.361 -10.464 -25.617 1.00 0.00 H new ATOM 0 HD23 LEU A 50 16.392 -9.950 -23.914 1.00 0.00 H new ATOM 703 N PRO A 51 12.219 -9.612 -28.141 1.00 0.00 N ATOM 704 CA PRO A 51 10.909 -9.591 -28.800 1.00 0.00 C ATOM 705 C PRO A 51 9.869 -10.460 -28.100 1.00 0.00 C ATOM 706 O PRO A 51 10.203 -11.287 -27.253 1.00 0.00 O ATOM 707 CB PRO A 51 11.227 -10.144 -30.185 1.00 0.00 C ATOM 708 CG PRO A 51 12.600 -9.642 -30.441 1.00 0.00 C ATOM 709 CD PRO A 51 13.315 -9.757 -29.121 1.00 0.00 C ATOM 0 HA PRO A 51 10.467 -8.595 -28.800 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.186 -11.233 -30.203 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.521 -9.786 -30.934 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.098 -10.232 -31.211 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.583 -8.610 -30.791 1.00 0.00 H new ATOM 0 HD2 PRO A 51 13.824 -10.715 -29.019 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.070 -8.980 -29.001 1.00 0.00 H new ATOM 717 N SER A 52 8.606 -10.268 -28.470 1.00 0.00 N ATOM 718 CA SER A 52 7.507 -11.036 -27.891 1.00 0.00 C ATOM 719 C SER A 52 7.377 -10.781 -26.389 1.00 0.00 C ATOM 720 O SER A 52 8.157 -11.304 -25.595 1.00 0.00 O ATOM 721 CB SER A 52 7.715 -12.530 -28.147 1.00 0.00 C ATOM 722 OG SER A 52 6.722 -13.301 -27.492 1.00 0.00 O ATOM 0 H SER A 52 8.317 -9.585 -29.170 1.00 0.00 H new ATOM 0 HA SER A 52 6.585 -10.710 -28.372 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.685 -12.727 -29.219 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.703 -12.829 -27.796 1.00 0.00 H new ATOM 0 HG SER A 52 6.875 -14.252 -27.672 1.00 0.00 H new ATOM 728 N PRO A 53 6.381 -9.973 -25.978 1.00 0.00 N ATOM 729 CA PRO A 53 6.146 -9.655 -24.576 1.00 0.00 C ATOM 730 C PRO A 53 5.154 -10.617 -23.930 1.00 0.00 C ATOM 731 O PRO A 53 4.309 -11.195 -24.612 1.00 0.00 O ATOM 732 CB PRO A 53 5.551 -8.255 -24.664 1.00 0.00 C ATOM 733 CG PRO A 53 4.774 -8.256 -25.942 1.00 0.00 C ATOM 734 CD PRO A 53 5.401 -9.298 -26.845 1.00 0.00 C ATOM 0 HA PRO A 53 7.046 -9.726 -23.965 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.909 -8.043 -23.809 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.330 -7.493 -24.674 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.726 -8.489 -25.755 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.803 -7.272 -26.411 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.656 -9.997 -27.226 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.881 -8.841 -27.710 1.00 0.00 H new ATOM 742 N CYS A 54 5.271 -10.796 -22.618 1.00 0.00 N ATOM 743 CA CYS A 54 4.402 -11.694 -21.881 1.00 0.00 C ATOM 744 C CYS A 54 3.603 -10.941 -20.818 1.00 0.00 C ATOM 745 O CYS A 54 3.582 -9.710 -20.803 1.00 0.00 O ATOM 746 CB CYS A 54 5.237 -12.796 -21.228 1.00 0.00 C ATOM 747 SG CYS A 54 6.727 -12.180 -20.381 1.00 0.00 S ATOM 0 H CYS A 54 5.968 -10.324 -22.042 1.00 0.00 H new ATOM 0 HA CYS A 54 3.694 -12.139 -22.580 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.617 -13.332 -20.510 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.535 -13.515 -21.991 1.00 0.00 H new ATOM 752 N GLN A 55 2.943 -11.688 -19.935 1.00 0.00 N ATOM 753 CA GLN A 55 2.143 -11.089 -18.870 1.00 0.00 C ATOM 754 C GLN A 55 1.044 -10.195 -19.448 1.00 0.00 C ATOM 755 O GLN A 55 1.084 -9.828 -20.622 1.00 0.00 O ATOM 756 CB GLN A 55 3.046 -10.310 -17.904 1.00 0.00 C ATOM 757 CG GLN A 55 2.975 -10.819 -16.479 1.00 0.00 C ATOM 758 CD GLN A 55 1.675 -10.457 -15.785 1.00 0.00 C ATOM 759 OE1 GLN A 55 1.599 -9.462 -15.066 1.00 0.00 O ATOM 760 NE2 GLN A 55 0.645 -11.266 -16.000 1.00 0.00 N ATOM 0 H GLN A 55 2.947 -12.708 -19.936 1.00 0.00 H new ATOM 0 HA GLN A 55 1.654 -11.887 -18.311 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.077 -10.369 -18.253 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.763 -9.257 -17.922 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.091 -11.903 -16.480 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.810 -10.410 -15.911 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.754 -12.080 -16.604 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.255 -11.073 -15.561 1.00 0.00 H new ATOM 769 N SER A 56 0.060 -9.858 -18.618 1.00 0.00 N ATOM 770 CA SER A 56 -1.050 -9.027 -19.044 1.00 0.00 C ATOM 771 C SER A 56 -1.655 -8.260 -17.864 1.00 0.00 C ATOM 772 O SER A 56 -1.001 -8.065 -16.839 1.00 0.00 O ATOM 773 CB SER A 56 -2.118 -9.886 -19.723 1.00 0.00 C ATOM 774 OG SER A 56 -2.847 -10.641 -18.772 1.00 0.00 O ATOM 0 H SER A 56 0.014 -10.152 -17.642 1.00 0.00 H new ATOM 0 HA SER A 56 -0.672 -8.296 -19.759 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.800 -9.247 -20.284 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.647 -10.557 -20.441 1.00 0.00 H new ATOM 0 HG SER A 56 -3.001 -11.544 -19.120 1.00 0.00 H new ATOM 780 N GLY A 57 -2.903 -7.817 -18.020 1.00 0.00 N ATOM 781 CA GLY A 57 -3.566 -7.059 -16.969 1.00 0.00 C ATOM 782 C GLY A 57 -4.276 -7.925 -15.943 1.00 0.00 C ATOM 783 O GLY A 57 -4.462 -9.126 -16.140 1.00 0.00 O ATOM 0 H GLY A 57 -3.467 -7.970 -18.856 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.828 -6.440 -16.459 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.290 -6.383 -17.423 1.00 0.00 H new ATOM 787 N GLN A 58 -4.653 -7.295 -14.833 1.00 0.00 N ATOM 788 CA GLN A 58 -5.330 -7.956 -13.728 1.00 0.00 C ATOM 789 C GLN A 58 -6.772 -7.473 -13.579 1.00 0.00 C ATOM 790 O GLN A 58 -7.236 -6.641 -14.348 1.00 0.00 O ATOM 791 CB GLN A 58 -4.575 -7.714 -12.434 1.00 0.00 C ATOM 792 CG GLN A 58 -3.727 -8.898 -11.999 1.00 0.00 C ATOM 793 CD GLN A 58 -4.130 -9.446 -10.643 1.00 0.00 C ATOM 794 OE1 GLN A 58 -3.349 -9.413 -9.692 1.00 0.00 O ATOM 795 NE2 GLN A 58 -5.350 -9.961 -10.550 1.00 0.00 N ATOM 0 H GLN A 58 -4.494 -6.300 -14.677 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.352 -9.024 -13.947 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.933 -6.842 -12.554 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.288 -7.478 -11.644 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.808 -9.690 -12.744 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.680 -8.596 -11.967 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.964 -9.967 -11.364 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.673 -10.350 -9.664 1.00 0.00 H new ATOM 804 N LYS A 59 -7.498 -8.100 -12.651 1.00 0.00 N ATOM 805 CA LYS A 59 -8.934 -7.854 -12.451 1.00 0.00 C ATOM 806 C LYS A 59 -9.401 -6.580 -13.166 1.00 0.00 C ATOM 807 O LYS A 59 -9.212 -5.447 -12.712 1.00 0.00 O ATOM 808 CB LYS A 59 -9.212 -7.715 -10.953 1.00 0.00 C ATOM 809 CG LYS A 59 -8.374 -6.631 -10.290 1.00 0.00 C ATOM 810 CD LYS A 59 -7.857 -7.069 -8.929 1.00 0.00 C ATOM 811 CE LYS A 59 -7.551 -5.875 -8.040 1.00 0.00 C ATOM 812 NZ LYS A 59 -6.317 -5.160 -8.470 1.00 0.00 N ATOM 0 H LYS A 59 -7.109 -8.795 -12.014 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.482 -8.697 -12.872 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.268 -7.491 -10.804 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.016 -8.669 -10.463 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.532 -6.378 -10.934 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.972 -5.727 -10.178 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.598 -7.705 -8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.956 -7.670 -9.057 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.394 -5.185 -8.057 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.435 -6.211 -7.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.685 -5.036 -7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.831 -5.716 -9.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.572 -4.228 -8.855 1.00 0.00 H new ATOM 826 N PRO A 60 -9.930 -6.820 -14.386 1.00 0.00 N ATOM 827 CA PRO A 60 -10.382 -5.801 -15.330 1.00 0.00 C ATOM 828 C PRO A 60 -11.428 -4.798 -14.833 1.00 0.00 C ATOM 829 O PRO A 60 -12.042 -4.953 -13.777 1.00 0.00 O ATOM 830 CB PRO A 60 -11.006 -6.602 -16.473 1.00 0.00 C ATOM 831 CG PRO A 60 -10.387 -7.946 -16.406 1.00 0.00 C ATOM 832 CD PRO A 60 -10.002 -8.167 -14.975 1.00 0.00 C ATOM 0 HA PRO A 60 -9.522 -5.177 -15.575 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.089 -6.664 -16.362 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.810 -6.129 -17.435 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -11.086 -8.712 -16.742 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.514 -8.004 -17.056 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.738 -8.784 -14.459 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.045 -8.682 -14.899 1.00 0.00 H new ATOM 840 N CYS A 61 -11.615 -3.781 -15.678 1.00 0.00 N ATOM 841 CA CYS A 61 -12.580 -2.714 -15.447 1.00 0.00 C ATOM 842 C CYS A 61 -12.988 -2.030 -16.738 1.00 0.00 C ATOM 843 O CYS A 61 -12.306 -2.108 -17.765 1.00 0.00 O ATOM 844 CB CYS A 61 -12.068 -1.669 -14.465 1.00 0.00 C ATOM 845 SG CYS A 61 -10.297 -1.297 -14.620 1.00 0.00 S ATOM 0 H CYS A 61 -11.094 -3.678 -16.549 1.00 0.00 H new ATOM 0 HA CYS A 61 -13.453 -3.199 -15.010 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.634 -0.748 -14.606 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.267 -2.014 -13.450 1.00 0.00 H new ATOM 850 N GLY A 62 -14.132 -1.375 -16.675 1.00 0.00 N ATOM 851 CA GLY A 62 -14.715 -0.696 -17.805 1.00 0.00 C ATOM 852 C GLY A 62 -14.354 0.769 -17.924 1.00 0.00 C ATOM 853 O GLY A 62 -15.097 1.551 -18.518 1.00 0.00 O ATOM 0 H GLY A 62 -14.687 -1.302 -15.822 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.405 -1.207 -18.717 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.800 -0.784 -17.743 1.00 0.00 H new ATOM 857 N SER A 63 -13.175 1.124 -17.440 1.00 0.00 N ATOM 858 CA SER A 63 -12.678 2.464 -17.577 1.00 0.00 C ATOM 859 C SER A 63 -11.508 2.459 -18.562 1.00 0.00 C ATOM 860 O SER A 63 -10.538 3.203 -18.410 1.00 0.00 O ATOM 861 CB SER A 63 -12.256 3.022 -16.225 1.00 0.00 C ATOM 862 OG SER A 63 -12.144 4.434 -16.265 1.00 0.00 O ATOM 0 H SER A 63 -12.547 0.490 -16.946 1.00 0.00 H new ATOM 0 HA SER A 63 -13.467 3.110 -17.962 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.984 2.734 -15.467 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.301 2.587 -15.931 1.00 0.00 H new ATOM 0 HG SER A 63 -11.659 4.701 -17.073 1.00 0.00 H new ATOM 868 N GLY A 64 -11.626 1.599 -19.576 1.00 0.00 N ATOM 869 CA GLY A 64 -10.608 1.474 -20.598 1.00 0.00 C ATOM 870 C GLY A 64 -9.711 0.244 -20.447 1.00 0.00 C ATOM 871 O GLY A 64 -8.790 0.053 -21.239 1.00 0.00 O ATOM 0 H GLY A 64 -12.426 0.979 -19.703 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.092 1.438 -21.574 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.984 2.368 -20.584 1.00 0.00 H new ATOM 875 N GLY A 65 -9.956 -0.566 -19.418 1.00 0.00 N ATOM 876 CA GLY A 65 -9.133 -1.728 -19.182 1.00 0.00 C ATOM 877 C GLY A 65 -9.131 -2.268 -17.777 1.00 0.00 C ATOM 878 O GLY A 65 -10.167 -2.390 -17.141 1.00 0.00 O ATOM 0 H GLY A 65 -10.712 -0.433 -18.746 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.461 -2.522 -19.853 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.107 -1.482 -19.456 1.00 0.00 H new ATOM 882 N ARG A 66 -7.963 -2.735 -17.369 1.00 0.00 N ATOM 883 CA ARG A 66 -7.822 -3.418 -16.101 1.00 0.00 C ATOM 884 C ARG A 66 -7.387 -2.495 -14.988 1.00 0.00 C ATOM 885 O ARG A 66 -7.187 -1.312 -15.213 1.00 0.00 O ATOM 886 CB ARG A 66 -6.812 -4.558 -16.242 1.00 0.00 C ATOM 887 CG ARG A 66 -6.883 -5.289 -17.576 1.00 0.00 C ATOM 888 CD ARG A 66 -8.233 -5.950 -17.774 1.00 0.00 C ATOM 889 NE ARG A 66 -8.179 -7.028 -18.761 1.00 0.00 N ATOM 890 CZ ARG A 66 -8.981 -7.114 -19.822 1.00 0.00 C ATOM 891 NH1 ARG A 66 -9.907 -6.190 -20.050 1.00 0.00 N ATOM 892 NH2 ARG A 66 -8.857 -8.133 -20.661 1.00 0.00 N ATOM 0 H ARG A 66 -7.098 -2.651 -17.902 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.804 -3.808 -15.834 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.807 -4.157 -16.113 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.975 -5.275 -15.438 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.698 -4.586 -18.388 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.097 -6.043 -17.622 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.584 -6.348 -16.822 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.959 -5.202 -18.094 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.483 -7.761 -18.629 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.011 -5.403 -19.410 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.515 -6.267 -20.866 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.149 -8.848 -20.494 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.469 -8.202 -21.474 1.00 0.00 H new ATOM 906 N CYS A 67 -7.172 -3.053 -13.796 1.00 0.00 N ATOM 907 CA CYS A 67 -6.705 -2.269 -12.670 1.00 0.00 C ATOM 908 C CYS A 67 -5.207 -2.005 -12.762 1.00 0.00 C ATOM 909 O CYS A 67 -4.460 -2.268 -11.820 1.00 0.00 O ATOM 910 CB CYS A 67 -7.044 -2.972 -11.363 1.00 0.00 C ATOM 911 SG CYS A 67 -6.688 -1.997 -9.879 1.00 0.00 S ATOM 0 H CYS A 67 -7.315 -4.042 -13.593 1.00 0.00 H new ATOM 0 HA CYS A 67 -7.214 -1.305 -12.695 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.103 -3.232 -11.368 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.486 -3.907 -11.312 1.00 0.00 H new ATOM 916 N ALA A 68 -4.781 -1.526 -13.918 1.00 0.00 N ATOM 917 CA ALA A 68 -3.374 -1.253 -14.200 1.00 0.00 C ATOM 918 C ALA A 68 -2.488 -1.037 -12.966 1.00 0.00 C ATOM 919 O ALA A 68 -1.584 -1.840 -12.728 1.00 0.00 O ATOM 920 CB ALA A 68 -3.244 -0.080 -15.148 1.00 0.00 C ATOM 0 H ALA A 68 -5.404 -1.312 -14.697 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.999 -2.165 -14.664 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.190 0.111 -15.348 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.755 -0.309 -16.083 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.693 0.804 -14.696 1.00 0.00 H new ATOM 926 N ALA A 69 -2.669 0.056 -12.210 1.00 0.00 N ATOM 927 CA ALA A 69 -1.794 0.344 -11.065 1.00 0.00 C ATOM 928 C ALA A 69 -2.434 1.331 -10.082 1.00 0.00 C ATOM 929 O ALA A 69 -3.207 2.198 -10.489 1.00 0.00 O ATOM 930 CB ALA A 69 -0.511 0.972 -11.569 1.00 0.00 C ATOM 0 H ALA A 69 -3.403 0.746 -12.368 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.613 -0.599 -10.550 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.144 1.189 -10.725 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.011 0.282 -12.249 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.742 1.898 -12.096 1.00 0.00 H new ATOM 936 N ALA A 70 -2.116 1.159 -8.786 1.00 0.00 N ATOM 937 CA ALA A 70 -2.673 2.008 -7.710 1.00 0.00 C ATOM 938 C ALA A 70 -3.953 2.634 -8.170 1.00 0.00 C ATOM 939 O ALA A 70 -4.102 3.853 -8.154 1.00 0.00 O ATOM 940 CB ALA A 70 -1.751 3.135 -7.319 1.00 0.00 C ATOM 0 H ALA A 70 -1.475 0.438 -8.455 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.820 1.353 -6.852 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.212 3.724 -6.526 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.806 2.725 -6.964 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.568 3.772 -8.184 1.00 0.00 H new ATOM 946 N GLY A 71 -4.839 1.813 -8.645 1.00 0.00 N ATOM 947 CA GLY A 71 -6.047 2.330 -9.169 1.00 0.00 C ATOM 948 C GLY A 71 -5.783 3.103 -10.442 1.00 0.00 C ATOM 949 O GLY A 71 -5.687 4.322 -10.463 1.00 0.00 O ATOM 0 H GLY A 71 -4.743 0.798 -8.677 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.742 1.515 -9.369 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.521 2.980 -8.433 1.00 0.00 H new ATOM 953 N ILE A 72 -5.719 2.354 -11.506 1.00 0.00 N ATOM 954 CA ILE A 72 -5.527 2.856 -12.837 1.00 0.00 C ATOM 955 C ILE A 72 -6.109 1.841 -13.754 1.00 0.00 C ATOM 956 O ILE A 72 -5.591 0.736 -13.873 1.00 0.00 O ATOM 957 CB ILE A 72 -4.047 3.103 -13.219 1.00 0.00 C ATOM 958 CG1 ILE A 72 -3.596 4.431 -12.681 1.00 0.00 C ATOM 959 CG2 ILE A 72 -3.829 3.071 -14.732 1.00 0.00 C ATOM 960 CD1 ILE A 72 -3.541 5.506 -13.737 1.00 0.00 C ATOM 0 H ILE A 72 -5.802 1.338 -11.469 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.008 3.831 -12.908 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.460 2.297 -12.779 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.273 4.744 -11.887 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.609 4.319 -12.233 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.776 3.249 -14.952 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.121 2.096 -15.121 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.434 3.845 -15.203 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.209 6.441 -13.287 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.842 5.211 -14.520 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.533 5.643 -14.169 1.00 0.00 H new ATOM 972 N CYS A 73 -7.188 2.193 -14.382 1.00 0.00 N ATOM 973 CA CYS A 73 -7.818 1.290 -15.269 1.00 0.00 C ATOM 974 C CYS A 73 -7.202 1.544 -16.623 1.00 0.00 C ATOM 975 O CYS A 73 -7.478 2.558 -17.269 1.00 0.00 O ATOM 976 CB CYS A 73 -9.326 1.468 -15.216 1.00 0.00 C ATOM 977 SG CYS A 73 -10.246 0.153 -16.044 1.00 0.00 S ATOM 0 H CYS A 73 -7.644 3.101 -14.291 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.661 0.245 -15.003 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -9.640 1.517 -14.173 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -9.586 2.423 -15.672 1.00 0.00 H new ATOM 982 N CYS A 74 -6.261 0.682 -16.990 1.00 0.00 N ATOM 983 CA CYS A 74 -5.516 0.897 -18.205 1.00 0.00 C ATOM 984 C CYS A 74 -5.252 -0.355 -19.012 1.00 0.00 C ATOM 985 O CYS A 74 -5.039 -1.449 -18.483 1.00 0.00 O ATOM 986 CB CYS A 74 -4.151 1.482 -17.863 1.00 0.00 C ATOM 987 SG CYS A 74 -3.012 1.621 -19.291 1.00 0.00 S ATOM 0 H CYS A 74 -6.005 -0.156 -16.468 1.00 0.00 H new ATOM 0 HA CYS A 74 -6.137 1.563 -18.804 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.291 2.471 -17.427 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -3.683 0.861 -17.099 1.00 0.00 H new ATOM 992 N SER A 75 -5.212 -0.132 -20.304 1.00 0.00 N ATOM 993 CA SER A 75 -4.892 -1.179 -21.248 1.00 0.00 C ATOM 994 C SER A 75 -3.726 -0.693 -22.121 1.00 0.00 C ATOM 995 O SER A 75 -2.823 -0.040 -21.601 1.00 0.00 O ATOM 996 CB SER A 75 -6.138 -1.482 -22.080 1.00 0.00 C ATOM 997 OG SER A 75 -7.223 -1.857 -21.260 1.00 0.00 O ATOM 0 H SER A 75 -5.399 0.776 -20.730 1.00 0.00 H new ATOM 0 HA SER A 75 -4.590 -2.098 -20.746 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.409 -0.604 -22.666 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.920 -2.282 -22.787 1.00 0.00 H new ATOM 0 HG SER A 75 -8.023 -1.359 -21.529 1.00 0.00 H new ATOM 1003 N PRO A 76 -3.721 -0.908 -23.451 1.00 0.00 N ATOM 1004 CA PRO A 76 -2.665 -0.378 -24.293 1.00 0.00 C ATOM 1005 C PRO A 76 -3.062 1.009 -24.780 1.00 0.00 C ATOM 1006 O PRO A 76 -2.229 1.866 -25.078 1.00 0.00 O ATOM 1007 CB PRO A 76 -2.637 -1.362 -25.453 1.00 0.00 C ATOM 1008 CG PRO A 76 -4.045 -1.834 -25.598 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.718 -1.648 -24.259 1.00 0.00 C ATOM 0 HA PRO A 76 -1.701 -0.277 -23.794 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.286 -0.883 -26.367 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.962 -2.193 -25.249 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.563 -1.267 -26.371 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.071 -2.881 -25.899 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.648 -1.088 -24.355 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.969 -2.606 -23.803 1.00 0.00 H new ATOM 1017 N ASP A 77 -4.372 1.162 -24.902 1.00 0.00 N ATOM 1018 CA ASP A 77 -5.063 2.377 -25.406 1.00 0.00 C ATOM 1019 C ASP A 77 -4.744 3.572 -24.559 1.00 0.00 C ATOM 1020 O ASP A 77 -4.242 4.577 -25.061 1.00 0.00 O ATOM 1021 CB ASP A 77 -6.578 2.152 -25.442 1.00 0.00 C ATOM 1022 CG ASP A 77 -7.165 2.395 -26.818 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -7.211 1.439 -27.621 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -7.582 3.540 -27.093 1.00 0.00 O ATOM 0 H ASP A 77 -5.025 0.421 -24.646 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.706 2.569 -26.418 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.799 1.131 -25.131 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.058 2.815 -24.723 1.00 0.00 H new ATOM 1029 N GLY A 78 -4.927 3.437 -23.238 1.00 0.00 N ATOM 1030 CA GLY A 78 -4.528 4.500 -22.330 1.00 0.00 C ATOM 1031 C GLY A 78 -4.682 4.128 -20.873 1.00 0.00 C ATOM 1032 O GLY A 78 -5.521 3.290 -20.535 1.00 0.00 O ATOM 0 H GLY A 78 -5.340 2.619 -22.790 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.488 4.763 -22.523 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.125 5.388 -22.536 1.00 0.00 H new ATOM 1036 N CYS A 79 -3.933 4.772 -19.986 1.00 0.00 N ATOM 1037 CA CYS A 79 -4.085 4.510 -18.571 1.00 0.00 C ATOM 1038 C CYS A 79 -4.659 5.692 -17.877 1.00 0.00 C ATOM 1039 O CYS A 79 -4.314 6.840 -18.161 1.00 0.00 O ATOM 1040 CB CYS A 79 -2.792 4.195 -17.848 1.00 0.00 C ATOM 1041 SG CYS A 79 -1.703 3.051 -18.725 1.00 0.00 S ATOM 0 H CYS A 79 -3.226 5.468 -20.222 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.736 3.636 -18.533 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.253 5.126 -17.671 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.030 3.774 -16.871 1.00 0.00 H new ATOM 1046 N GLU A 80 -5.535 5.403 -16.968 1.00 0.00 N ATOM 1047 CA GLU A 80 -6.176 6.451 -16.211 1.00 0.00 C ATOM 1048 C GLU A 80 -6.533 5.987 -14.811 1.00 0.00 C ATOM 1049 O GLU A 80 -7.028 4.876 -14.619 1.00 0.00 O ATOM 1050 CB GLU A 80 -7.416 6.960 -16.948 1.00 0.00 C ATOM 1051 CG GLU A 80 -8.546 5.947 -17.024 1.00 0.00 C ATOM 1052 CD GLU A 80 -9.864 6.511 -16.531 1.00 0.00 C ATOM 1053 OE1 GLU A 80 -9.968 6.807 -15.322 1.00 0.00 O ATOM 1054 OE2 GLU A 80 -10.792 6.658 -17.354 1.00 0.00 O ATOM 0 H GLU A 80 -5.828 4.456 -16.726 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.468 7.274 -16.112 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.780 7.859 -16.450 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.132 7.250 -17.960 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.661 5.612 -18.055 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.285 5.071 -16.431 1.00 0.00 H new ATOM 1061 N GLU A 81 -6.279 6.848 -13.827 1.00 0.00 N ATOM 1062 CA GLU A 81 -6.568 6.537 -12.451 1.00 0.00 C ATOM 1063 C GLU A 81 -8.014 6.138 -12.336 1.00 0.00 C ATOM 1064 O GLU A 81 -8.915 6.902 -12.681 1.00 0.00 O ATOM 1065 CB GLU A 81 -6.258 7.735 -11.561 1.00 0.00 C ATOM 1066 CG GLU A 81 -6.647 9.060 -12.171 1.00 0.00 C ATOM 1067 CD GLU A 81 -5.507 10.059 -12.191 1.00 0.00 C ATOM 1068 OE1 GLU A 81 -4.389 9.675 -12.594 1.00 0.00 O ATOM 1069 OE2 GLU A 81 -5.732 11.225 -11.805 1.00 0.00 O ATOM 0 H GLU A 81 -5.870 7.771 -13.972 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.942 5.709 -12.119 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.779 7.615 -10.611 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.191 7.746 -11.340 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.997 8.896 -13.190 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.482 9.481 -11.611 1.00 0.00 H new ATOM 1076 N ASP A 82 -8.226 4.915 -11.883 1.00 0.00 N ATOM 1077 CA ASP A 82 -9.548 4.383 -11.767 1.00 0.00 C ATOM 1078 C ASP A 82 -10.035 4.355 -10.320 1.00 0.00 C ATOM 1079 O ASP A 82 -9.633 3.511 -9.525 1.00 0.00 O ATOM 1080 CB ASP A 82 -9.603 2.992 -12.410 1.00 0.00 C ATOM 1081 CG ASP A 82 -8.619 2.026 -11.803 1.00 0.00 C ATOM 1082 OD1 ASP A 82 -8.143 2.302 -10.694 1.00 0.00 O ATOM 1083 OD2 ASP A 82 -8.338 0.983 -12.431 1.00 0.00 O ATOM 0 H ASP A 82 -7.486 4.277 -11.591 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.229 5.045 -12.302 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.611 2.589 -12.307 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.404 3.083 -13.478 1.00 0.00 H new ATOM 1088 N PRO A 83 -10.951 5.269 -9.983 1.00 0.00 N ATOM 1089 CA PRO A 83 -11.563 5.344 -8.669 1.00 0.00 C ATOM 1090 C PRO A 83 -12.182 4.003 -8.351 1.00 0.00 C ATOM 1091 O PRO A 83 -12.410 3.631 -7.200 1.00 0.00 O ATOM 1092 CB PRO A 83 -12.638 6.424 -8.848 1.00 0.00 C ATOM 1093 CG PRO A 83 -12.130 7.251 -9.966 1.00 0.00 C ATOM 1094 CD PRO A 83 -11.479 6.269 -10.886 1.00 0.00 C ATOM 0 HA PRO A 83 -10.874 5.579 -7.858 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.608 5.987 -9.083 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.766 7.014 -7.941 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.938 7.787 -10.464 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.419 8.000 -9.616 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.194 5.840 -11.588 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.690 6.734 -11.478 1.00 0.00 H new ATOM 1102 N ALA A 84 -12.387 3.272 -9.426 1.00 0.00 N ATOM 1103 CA ALA A 84 -12.906 1.949 -9.394 1.00 0.00 C ATOM 1104 C ALA A 84 -11.906 1.003 -8.750 1.00 0.00 C ATOM 1105 O ALA A 84 -12.241 -0.120 -8.373 1.00 0.00 O ATOM 1106 CB ALA A 84 -13.161 1.525 -10.821 1.00 0.00 C ATOM 0 H ALA A 84 -12.186 3.606 -10.369 1.00 0.00 H new ATOM 0 HA ALA A 84 -13.825 1.919 -8.809 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.561 0.511 -10.833 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.880 2.204 -11.279 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.227 1.553 -11.381 1.00 0.00 H new ATOM 1112 N CYS A 85 -10.672 1.470 -8.649 1.00 0.00 N ATOM 1113 CA CYS A 85 -9.627 0.657 -8.071 1.00 0.00 C ATOM 1114 C CYS A 85 -8.843 1.243 -6.878 1.00 0.00 C ATOM 1115 O CYS A 85 -8.353 0.433 -6.091 1.00 0.00 O ATOM 1116 CB CYS A 85 -8.655 0.147 -9.121 1.00 0.00 C ATOM 1117 SG CYS A 85 -8.537 -1.663 -9.142 1.00 0.00 S ATOM 0 H CYS A 85 -10.377 2.397 -8.957 1.00 0.00 H new ATOM 0 HA CYS A 85 -10.201 -0.164 -7.641 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.970 0.498 -10.104 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -7.668 0.570 -8.933 1.00 0.00 H new ATOM 1122 N ASP A 86 -8.668 2.583 -6.687 1.00 0.00 N ATOM 1123 CA ASP A 86 -7.851 2.995 -5.496 1.00 0.00 C ATOM 1124 C ASP A 86 -7.302 4.436 -5.350 1.00 0.00 C ATOM 1125 O ASP A 86 -6.886 4.787 -4.245 1.00 0.00 O ATOM 1126 CB ASP A 86 -6.570 2.183 -5.518 1.00 0.00 C ATOM 1127 CG ASP A 86 -5.881 2.130 -4.168 1.00 0.00 C ATOM 1128 OD1 ASP A 86 -6.589 2.033 -3.143 1.00 0.00 O ATOM 1129 OD2 ASP A 86 -4.634 2.186 -4.135 1.00 0.00 O ATOM 0 H ASP A 86 -9.037 3.332 -7.272 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.583 2.860 -4.699 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.795 1.168 -5.845 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.887 2.611 -6.252 1.00 0.00 H new ATOM 1134 N PRO A 87 -7.140 5.249 -6.398 1.00 0.00 N ATOM 1135 CA PRO A 87 -6.483 6.540 -6.270 1.00 0.00 C ATOM 1136 C PRO A 87 -7.427 7.693 -6.254 1.00 0.00 C ATOM 1137 O PRO A 87 -7.628 8.363 -5.240 1.00 0.00 O ATOM 1138 CB PRO A 87 -5.636 6.592 -7.535 1.00 0.00 C ATOM 1139 CG PRO A 87 -6.188 5.534 -8.427 1.00 0.00 C ATOM 1140 CD PRO A 87 -7.437 5.004 -7.784 1.00 0.00 C ATOM 0 HA PRO A 87 -5.936 6.623 -5.331 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -5.695 7.573 -8.007 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -4.585 6.408 -7.312 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.409 5.942 -9.414 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -5.461 4.734 -8.568 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.331 5.532 -8.116 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.595 3.946 -7.994 1.00 0.00 H new ATOM 1148 N GLU A 88 -8.024 7.892 -7.399 1.00 0.00 N ATOM 1149 CA GLU A 88 -9.004 8.950 -7.564 1.00 0.00 C ATOM 1150 C GLU A 88 -10.312 8.435 -6.968 1.00 0.00 C ATOM 1151 O GLU A 88 -11.393 9.004 -7.124 1.00 0.00 O ATOM 1152 CB GLU A 88 -9.180 9.216 -9.062 1.00 0.00 C ATOM 1153 CG GLU A 88 -9.834 10.549 -9.385 1.00 0.00 C ATOM 1154 CD GLU A 88 -10.317 10.626 -10.820 1.00 0.00 C ATOM 1155 OE1 GLU A 88 -9.472 10.817 -11.720 1.00 0.00 O ATOM 1156 OE2 GLU A 88 -11.538 10.494 -11.046 1.00 0.00 O ATOM 0 H GLU A 88 -7.853 7.337 -8.238 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.697 9.874 -7.073 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.203 9.177 -9.544 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.780 8.415 -9.494 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.677 10.709 -8.712 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.122 11.353 -9.201 1.00 0.00 H new ATOM 1163 N ALA A 89 -10.141 7.242 -6.399 1.00 0.00 N ATOM 1164 CA ALA A 89 -11.168 6.375 -5.846 1.00 0.00 C ATOM 1165 C ALA A 89 -11.920 6.802 -4.591 1.00 0.00 C ATOM 1166 O ALA A 89 -11.643 7.785 -3.905 1.00 0.00 O ATOM 1167 CB ALA A 89 -10.518 5.025 -5.577 1.00 0.00 C ATOM 0 H ALA A 89 -9.212 6.831 -6.309 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.951 6.387 -6.604 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.258 4.342 -5.160 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.131 4.615 -6.510 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.699 5.150 -4.869 1.00 0.00 H new ATOM 1173 N ALA A 90 -12.823 5.874 -4.323 1.00 0.00 N ATOM 1174 CA ALA A 90 -13.702 5.761 -3.196 1.00 0.00 C ATOM 1175 C ALA A 90 -13.061 4.757 -2.255 1.00 0.00 C ATOM 1176 O ALA A 90 -11.855 4.527 -2.350 1.00 0.00 O ATOM 1177 CB ALA A 90 -15.027 5.220 -3.686 1.00 0.00 C ATOM 0 H ALA A 90 -12.965 5.099 -4.971 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.864 6.717 -2.698 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.714 5.125 -2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -15.448 5.903 -4.424 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.874 4.242 -4.142 1.00 0.00 H new ATOM 1183 N PHE A 91 -13.839 4.087 -1.416 1.00 0.00 N ATOM 1184 CA PHE A 91 -13.260 3.052 -0.568 1.00 0.00 C ATOM 1185 C PHE A 91 -13.041 1.837 -1.461 1.00 0.00 C ATOM 1186 O PHE A 91 -13.532 0.739 -1.197 1.00 0.00 O ATOM 1187 CB PHE A 91 -14.182 2.700 0.603 1.00 0.00 C ATOM 1188 CG PHE A 91 -13.503 1.875 1.662 1.00 0.00 C ATOM 1189 CD1 PHE A 91 -12.294 2.282 2.206 1.00 0.00 C ATOM 1190 CD2 PHE A 91 -14.067 0.691 2.106 1.00 0.00 C ATOM 1191 CE1 PHE A 91 -11.661 1.523 3.170 1.00 0.00 C ATOM 1192 CE2 PHE A 91 -13.439 -0.073 3.073 1.00 0.00 C ATOM 1193 CZ PHE A 91 -12.235 0.344 3.605 1.00 0.00 C ATOM 0 H PHE A 91 -14.842 4.234 -1.304 1.00 0.00 H new ATOM 0 HA PHE A 91 -12.325 3.399 -0.128 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -14.556 3.620 1.052 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -15.047 2.155 0.225 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -11.842 3.204 1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -15.008 0.360 1.692 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -10.719 1.850 3.583 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -13.890 -0.994 3.411 1.00 0.00 H new ATOM 0 HZ PHE A 91 -11.743 -0.251 4.360 1.00 0.00 H new ATOM 1203 N SER A 92 -12.304 2.082 -2.544 1.00 0.00 N ATOM 1204 CA SER A 92 -11.991 1.085 -3.545 1.00 0.00 C ATOM 1205 C SER A 92 -10.563 0.567 -3.378 1.00 0.00 C ATOM 1206 O SER A 92 -9.643 1.402 -3.255 1.00 0.00 O ATOM 1207 CB SER A 92 -12.185 1.697 -4.941 1.00 0.00 C ATOM 1208 OG SER A 92 -11.501 0.953 -5.919 1.00 0.00 O ATOM 1209 OXT SER A 92 -10.380 -0.669 -3.374 1.00 0.00 O ATOM 0 H SER A 92 -11.904 2.999 -2.746 1.00 0.00 H new ATOM 0 HA SER A 92 -12.663 0.235 -3.423 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.247 1.731 -5.182 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.825 2.726 -4.944 1.00 0.00 H new ATOM 0 HG SER A 92 -11.944 0.087 -6.041 1.00 0.00 H new TER 1215 SER A 92