USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=12 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+ 138:sc= 0.0293 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -37:sc= 0.952 USER MOD Single : A 18 LYS NZ :NH3+ -139:sc= 0.435 (180deg=-0.0408) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 160:sc= -3.36! USER MOD Single : A 45 GLN : amide:sc= -0.568 K(o=-0.57,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.0041) 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= -0.163 K(o=-0.16,f=-2.1!) USER MOD Single : A 56 SER OG : rot 160:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -7.52! C(o=-7.5!,f=-14!) USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= -1.1 (180deg=-1.32) USER MOD Single : A 63 SER OG : rot 177:sc= -1.45 USER MOD Single : A 75 SER OG : rot -97:sc= 1.23 USER MOD Single : A 92 SER OG : rot 160:sc= -3.39! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.472 0.049 -5.502 1.00 0.00 N ATOM 2 CA ALA A 1 -9.727 0.414 -6.919 1.00 0.00 C ATOM 3 C ALA A 1 -10.552 1.691 -7.014 1.00 0.00 C ATOM 4 O ALA A 1 -11.400 1.958 -6.162 1.00 0.00 O ATOM 5 CB ALA A 1 -10.437 -0.724 -7.637 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.589 -0.977 -5.381 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.502 0.320 -5.243 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.146 0.549 -4.888 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.766 0.593 -7.401 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.618 -0.443 -8.675 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.814 -1.618 -7.606 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.388 -0.927 -7.145 1.00 0.00 H new ATOM 13 N VAL A 2 -10.301 2.476 -8.055 1.00 0.00 N ATOM 14 CA VAL A 2 -11.026 3.724 -8.258 1.00 0.00 C ATOM 15 C VAL A 2 -10.784 4.683 -7.093 1.00 0.00 C ATOM 16 O VAL A 2 -10.222 4.298 -6.067 1.00 0.00 O ATOM 17 CB VAL A 2 -12.545 3.476 -8.419 1.00 0.00 C ATOM 18 CG1 VAL A 2 -13.223 4.666 -9.088 1.00 0.00 C ATOM 19 CG2 VAL A 2 -12.803 2.203 -9.216 1.00 0.00 C ATOM 0 H VAL A 2 -9.603 2.271 -8.770 1.00 0.00 H new ATOM 0 HA VAL A 2 -10.650 4.173 -9.178 1.00 0.00 H new ATOM 0 HB VAL A 2 -12.971 3.353 -7.423 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.290 4.467 -9.190 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.077 5.558 -8.479 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.788 4.825 -10.075 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -13.877 2.048 -9.317 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.355 2.296 -10.205 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.361 1.353 -8.697 1.00 0.00 H new ATOM 29 N LEU A 3 -11.180 5.938 -7.272 1.00 0.00 N ATOM 30 CA LEU A 3 -10.986 6.961 -6.278 1.00 0.00 C ATOM 31 C LEU A 3 -11.874 6.806 -5.073 1.00 0.00 C ATOM 32 O LEU A 3 -12.847 6.053 -5.070 1.00 0.00 O ATOM 33 CB LEU A 3 -11.291 8.328 -6.887 1.00 0.00 C ATOM 34 CG LEU A 3 -10.076 9.105 -7.379 1.00 0.00 C ATOM 35 CD1 LEU A 3 -8.851 8.669 -6.610 1.00 0.00 C ATOM 36 CD2 LEU A 3 -9.876 8.894 -8.871 1.00 0.00 C ATOM 0 H LEU A 3 -11.646 6.266 -8.118 1.00 0.00 H new ATOM 0 HA LEU A 3 -9.949 6.870 -5.954 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.977 8.191 -7.723 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -11.811 8.931 -6.143 1.00 0.00 H new ATOM 0 HG LEU A 3 -10.241 10.169 -7.209 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.983 9.225 -6.963 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.000 8.864 -5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.685 7.603 -6.764 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.004 9.457 -9.204 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.722 7.834 -9.071 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.758 9.240 -9.409 1.00 0.00 H new ATOM 48 N ASP A 4 -11.535 7.589 -4.062 1.00 0.00 N ATOM 49 CA ASP A 4 -12.283 7.623 -2.848 1.00 0.00 C ATOM 50 C ASP A 4 -13.503 8.515 -3.063 1.00 0.00 C ATOM 51 O ASP A 4 -14.113 8.485 -4.133 1.00 0.00 O ATOM 52 CB ASP A 4 -11.402 8.136 -1.703 1.00 0.00 C ATOM 53 CG ASP A 4 -11.883 7.670 -0.342 1.00 0.00 C ATOM 54 OD1 ASP A 4 -12.053 6.447 -0.157 1.00 0.00 O ATOM 55 OD2 ASP A 4 -12.092 8.531 0.539 1.00 0.00 O ATOM 0 H ASP A 4 -10.729 8.214 -4.075 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.618 6.623 -2.574 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.378 7.797 -1.858 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -11.384 9.226 -1.724 1.00 0.00 H new ATOM 60 N LEU A 5 -13.851 9.313 -2.072 1.00 0.00 N ATOM 61 CA LEU A 5 -14.964 10.206 -2.171 1.00 0.00 C ATOM 62 C LEU A 5 -14.488 11.557 -2.703 1.00 0.00 C ATOM 63 O LEU A 5 -13.852 11.614 -3.755 1.00 0.00 O ATOM 64 CB LEU A 5 -15.636 10.295 -0.800 1.00 0.00 C ATOM 65 CG LEU A 5 -14.687 10.415 0.403 1.00 0.00 C ATOM 66 CD1 LEU A 5 -14.663 11.828 0.937 1.00 0.00 C ATOM 67 CD2 LEU A 5 -15.092 9.447 1.503 1.00 0.00 C ATOM 0 H LEU A 5 -13.362 9.352 -1.178 1.00 0.00 H new ATOM 0 HA LEU A 5 -15.709 9.842 -2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.304 11.156 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -16.257 9.410 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 5 -13.683 10.160 0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -13.984 11.884 1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -14.322 12.507 0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -15.666 12.114 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.408 9.547 2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -16.107 9.672 1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -15.052 8.426 1.122 1.00 0.00 H new ATOM 79 N ASP A 6 -14.746 12.637 -1.973 1.00 0.00 N ATOM 80 CA ASP A 6 -14.282 13.938 -2.398 1.00 0.00 C ATOM 81 C ASP A 6 -12.784 13.992 -2.175 1.00 0.00 C ATOM 82 O ASP A 6 -12.016 14.414 -3.039 1.00 0.00 O ATOM 83 CB ASP A 6 -14.987 15.053 -1.619 1.00 0.00 C ATOM 84 CG ASP A 6 -15.467 16.173 -2.521 1.00 0.00 C ATOM 85 OD1 ASP A 6 -14.661 16.663 -3.340 1.00 0.00 O ATOM 86 OD2 ASP A 6 -16.649 16.561 -2.408 1.00 0.00 O ATOM 0 H ASP A 6 -15.268 12.631 -1.096 1.00 0.00 H new ATOM 0 HA ASP A 6 -14.512 14.090 -3.453 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -15.837 14.635 -1.080 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -14.304 15.459 -0.872 1.00 0.00 H new ATOM 91 N VAL A 7 -12.392 13.502 -1.015 1.00 0.00 N ATOM 92 CA VAL A 7 -11.004 13.413 -0.634 1.00 0.00 C ATOM 93 C VAL A 7 -10.417 12.087 -1.101 1.00 0.00 C ATOM 94 O VAL A 7 -10.420 11.098 -0.368 1.00 0.00 O ATOM 95 CB VAL A 7 -10.815 13.536 0.885 1.00 0.00 C ATOM 96 CG1 VAL A 7 -11.045 14.970 1.335 1.00 0.00 C ATOM 97 CG2 VAL A 7 -11.743 12.580 1.620 1.00 0.00 C ATOM 0 H VAL A 7 -13.038 13.152 -0.307 1.00 0.00 H new ATOM 0 HA VAL A 7 -10.486 14.245 -1.112 1.00 0.00 H new ATOM 0 HB VAL A 7 -9.788 13.263 1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -10.907 15.039 2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.333 15.627 0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.060 15.273 1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -11.594 12.682 2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -12.778 12.816 1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -11.523 11.556 1.319 1.00 0.00 H new ATOM 107 N ARG A 8 -9.944 12.077 -2.332 1.00 0.00 N ATOM 108 CA ARG A 8 -9.380 10.909 -2.946 1.00 0.00 C ATOM 109 C ARG A 8 -8.028 10.543 -2.342 1.00 0.00 C ATOM 110 O ARG A 8 -7.651 11.059 -1.290 1.00 0.00 O ATOM 111 CB ARG A 8 -9.263 11.204 -4.433 1.00 0.00 C ATOM 112 CG ARG A 8 -10.610 11.372 -5.102 1.00 0.00 C ATOM 113 CD ARG A 8 -10.521 12.315 -6.279 1.00 0.00 C ATOM 114 NE ARG A 8 -11.770 12.350 -7.040 1.00 0.00 N ATOM 115 CZ ARG A 8 -12.275 13.443 -7.609 1.00 0.00 C ATOM 116 NH1 ARG A 8 -11.637 14.605 -7.529 1.00 0.00 N ATOM 117 NH2 ARG A 8 -13.425 13.371 -8.266 1.00 0.00 N ATOM 0 H ARG A 8 -9.945 12.898 -2.937 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.022 10.045 -2.773 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.676 12.111 -4.574 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.719 10.394 -4.918 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.976 10.402 -5.437 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -11.332 11.754 -4.380 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.283 13.318 -5.925 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.705 12.006 -6.932 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.289 11.478 -7.142 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.751 14.667 -7.028 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -12.033 15.436 -7.969 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.919 12.481 -8.334 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.816 14.206 -8.703 1.00 0.00 H new ATOM 131 N THR A 9 -7.311 9.642 -3.014 1.00 0.00 N ATOM 132 CA THR A 9 -6.013 9.179 -2.568 1.00 0.00 C ATOM 133 C THR A 9 -5.995 8.885 -1.066 1.00 0.00 C ATOM 134 O THR A 9 -5.974 9.796 -0.239 1.00 0.00 O ATOM 135 CB THR A 9 -4.934 10.176 -2.962 1.00 0.00 C ATOM 136 OG1 THR A 9 -4.415 10.866 -1.838 1.00 0.00 O ATOM 137 CG2 THR A 9 -5.405 11.200 -3.966 1.00 0.00 C ATOM 0 H THR A 9 -7.623 9.216 -3.886 1.00 0.00 H new ATOM 0 HA THR A 9 -5.802 8.234 -3.068 1.00 0.00 H new ATOM 0 HB THR A 9 -4.154 9.569 -3.422 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.139 11.049 -1.203 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.587 11.880 -4.203 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.732 10.695 -4.875 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.237 11.766 -3.546 1.00 0.00 H new ATOM 145 N CYS A 10 -6.020 7.594 -0.729 1.00 0.00 N ATOM 146 CA CYS A 10 -6.026 7.151 0.668 1.00 0.00 C ATOM 147 C CYS A 10 -4.988 7.887 1.512 1.00 0.00 C ATOM 148 O CYS A 10 -4.229 8.715 1.008 1.00 0.00 O ATOM 149 CB CYS A 10 -5.785 5.643 0.752 1.00 0.00 C ATOM 150 SG CYS A 10 -6.866 4.785 1.940 1.00 0.00 S ATOM 0 H CYS A 10 -6.037 6.833 -1.408 1.00 0.00 H new ATOM 0 HA CYS A 10 -7.010 7.387 1.072 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -5.930 5.207 -0.236 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.746 5.466 1.029 1.00 0.00 H new ATOM 155 N LEU A 11 -4.973 7.580 2.806 1.00 0.00 N ATOM 156 CA LEU A 11 -4.046 8.213 3.737 1.00 0.00 C ATOM 157 C LEU A 11 -2.779 7.384 3.938 1.00 0.00 C ATOM 158 O LEU A 11 -2.744 6.176 3.663 1.00 0.00 O ATOM 159 CB LEU A 11 -4.730 8.443 5.088 1.00 0.00 C ATOM 160 CG LEU A 11 -5.438 9.791 5.233 1.00 0.00 C ATOM 161 CD1 LEU A 11 -6.611 9.883 4.270 1.00 0.00 C ATOM 162 CD2 LEU A 11 -5.905 9.996 6.666 1.00 0.00 C ATOM 0 H LEU A 11 -5.595 6.894 3.234 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.754 9.169 3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.458 7.648 5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.982 8.356 5.876 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.729 10.581 4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.103 10.849 4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.250 9.781 3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.322 9.085 4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.407 10.960 6.751 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.598 9.201 6.940 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.045 9.974 7.336 1.00 0.00 H new ATOM 174 N PRO A 12 -1.711 8.041 4.420 1.00 0.00 N ATOM 175 CA PRO A 12 -0.430 7.389 4.668 1.00 0.00 C ATOM 176 C PRO A 12 -0.557 6.158 5.557 1.00 0.00 C ATOM 177 O PRO A 12 -1.660 5.740 5.916 1.00 0.00 O ATOM 178 CB PRO A 12 0.401 8.450 5.389 1.00 0.00 C ATOM 179 CG PRO A 12 -0.242 9.757 5.092 1.00 0.00 C ATOM 180 CD PRO A 12 -1.683 9.478 4.747 1.00 0.00 C ATOM 0 HA PRO A 12 0.011 7.038 3.735 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.423 8.263 6.463 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.434 8.437 5.041 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.175 10.423 5.952 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.262 10.254 4.264 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.343 9.708 5.583 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.014 10.084 3.903 1.00 0.00 H new ATOM 188 N CYS A 13 0.592 5.603 5.923 1.00 0.00 N ATOM 189 CA CYS A 13 0.655 4.434 6.766 1.00 0.00 C ATOM 190 C CYS A 13 2.006 4.356 7.460 1.00 0.00 C ATOM 191 O CYS A 13 2.823 5.270 7.352 1.00 0.00 O ATOM 192 CB CYS A 13 0.425 3.178 5.934 1.00 0.00 C ATOM 193 SG CYS A 13 -0.156 1.733 6.874 1.00 0.00 S ATOM 0 H CYS A 13 1.505 5.958 5.638 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.125 4.507 7.524 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.304 3.404 5.155 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.357 2.916 5.432 1.00 0.00 H new ATOM 198 N GLY A 14 2.250 3.253 8.152 1.00 0.00 N ATOM 199 CA GLY A 14 3.513 3.077 8.821 1.00 0.00 C ATOM 200 C GLY A 14 3.789 4.129 9.872 1.00 0.00 C ATOM 201 O GLY A 14 2.907 4.505 10.645 1.00 0.00 O ATOM 0 H GLY A 14 1.594 2.480 8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.534 2.093 9.289 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.313 3.095 8.081 1.00 0.00 H new ATOM 205 N PRO A 15 5.037 4.589 9.929 1.00 0.00 N ATOM 206 CA PRO A 15 5.505 5.575 10.893 1.00 0.00 C ATOM 207 C PRO A 15 5.359 7.011 10.389 1.00 0.00 C ATOM 208 O PRO A 15 6.209 7.510 9.651 1.00 0.00 O ATOM 209 CB PRO A 15 6.968 5.167 11.004 1.00 0.00 C ATOM 210 CG PRO A 15 7.335 4.837 9.607 1.00 0.00 C ATOM 211 CD PRO A 15 6.130 4.133 9.055 1.00 0.00 C ATOM 0 HA PRO A 15 4.950 5.581 11.831 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.582 5.975 11.401 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.098 4.312 11.667 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.566 5.736 9.035 1.00 0.00 H new ATOM 0 HG3 PRO A 15 8.218 4.200 9.569 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.950 4.401 8.014 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.247 3.050 9.090 1.00 0.00 H new ATOM 219 N GLY A 16 4.272 7.668 10.792 1.00 0.00 N ATOM 220 CA GLY A 16 4.025 9.038 10.371 1.00 0.00 C ATOM 221 C GLY A 16 3.182 9.103 9.113 1.00 0.00 C ATOM 222 O GLY A 16 2.012 9.485 9.154 1.00 0.00 O ATOM 0 H GLY A 16 3.557 7.275 11.404 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.522 9.578 11.173 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.976 9.540 10.196 1.00 0.00 H new ATOM 226 N GLY A 17 3.778 8.702 8.000 1.00 0.00 N ATOM 227 CA GLY A 17 3.089 8.684 6.732 1.00 0.00 C ATOM 228 C GLY A 17 3.985 8.243 5.606 1.00 0.00 C ATOM 229 O GLY A 17 3.860 8.695 4.468 1.00 0.00 O ATOM 0 H GLY A 17 4.746 8.383 7.957 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.231 8.014 6.796 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.701 9.680 6.517 1.00 0.00 H new ATOM 233 N LYS A 18 4.892 7.356 5.947 1.00 0.00 N ATOM 234 CA LYS A 18 5.843 6.814 5.016 1.00 0.00 C ATOM 235 C LYS A 18 5.163 5.866 4.053 1.00 0.00 C ATOM 236 O LYS A 18 5.513 5.780 2.876 1.00 0.00 O ATOM 237 CB LYS A 18 6.918 6.082 5.804 1.00 0.00 C ATOM 238 CG LYS A 18 8.173 6.882 6.037 1.00 0.00 C ATOM 239 CD LYS A 18 7.852 8.346 6.196 1.00 0.00 C ATOM 240 CE LYS A 18 9.089 9.171 6.514 1.00 0.00 C ATOM 241 NZ LYS A 18 9.651 9.822 5.298 1.00 0.00 N ATOM 0 H LYS A 18 4.987 6.988 6.894 1.00 0.00 H new ATOM 0 HA LYS A 18 6.289 7.620 4.432 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.506 5.786 6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.179 5.166 5.274 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.682 6.517 6.929 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.858 6.744 5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.394 8.718 5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.118 8.472 6.992 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.837 9.934 7.250 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.846 8.530 6.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.689 9.761 5.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.294 9.339 4.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.363 10.821 5.275 1.00 0.00 H new ATOM 255 N GLY A 19 4.179 5.169 4.575 1.00 0.00 N ATOM 256 CA GLY A 19 3.418 4.239 3.792 1.00 0.00 C ATOM 257 C GLY A 19 2.002 4.723 3.567 1.00 0.00 C ATOM 258 O GLY A 19 1.686 5.880 3.834 1.00 0.00 O ATOM 0 H GLY A 19 3.889 5.235 5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.908 4.087 2.830 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.396 3.272 4.295 1.00 0.00 H new ATOM 262 N ARG A 20 1.152 3.838 3.079 1.00 0.00 N ATOM 263 CA ARG A 20 -0.230 4.160 2.812 1.00 0.00 C ATOM 264 C ARG A 20 -1.029 2.874 2.661 1.00 0.00 C ATOM 265 O ARG A 20 -0.464 1.781 2.682 1.00 0.00 O ATOM 266 CB ARG A 20 -0.326 5.010 1.550 1.00 0.00 C ATOM 267 CG ARG A 20 -0.002 4.239 0.292 1.00 0.00 C ATOM 268 CD ARG A 20 -0.991 4.541 -0.819 1.00 0.00 C ATOM 269 NE ARG A 20 -0.427 5.441 -1.822 1.00 0.00 N ATOM 270 CZ ARG A 20 0.608 5.129 -2.598 1.00 0.00 C ATOM 271 NH1 ARG A 20 1.175 3.933 -2.509 1.00 0.00 N ATOM 272 NH2 ARG A 20 1.074 6.013 -3.469 1.00 0.00 N ATOM 0 H ARG A 20 1.405 2.875 2.858 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.643 4.732 3.643 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.333 5.418 1.470 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.355 5.856 1.636 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.006 4.489 -0.039 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.011 3.170 0.507 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.295 3.610 -1.297 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.889 4.989 -0.394 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.851 6.362 -1.934 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.818 3.248 -1.843 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.968 3.699 -3.106 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.639 6.933 -3.544 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.867 5.774 -4.064 1.00 0.00 H new ATOM 286 N CYS A 21 -2.328 3.001 2.468 1.00 0.00 N ATOM 287 CA CYS A 21 -3.169 1.837 2.271 1.00 0.00 C ATOM 288 C CYS A 21 -3.006 1.335 0.847 1.00 0.00 C ATOM 289 O CYS A 21 -2.614 2.095 -0.038 1.00 0.00 O ATOM 290 CB CYS A 21 -4.616 2.200 2.526 1.00 0.00 C ATOM 291 SG CYS A 21 -5.158 1.954 4.247 1.00 0.00 S ATOM 0 H CYS A 21 -2.821 3.893 2.444 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.873 1.053 2.968 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.770 3.244 2.255 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.249 1.604 1.869 1.00 0.00 H new ATOM 296 N PHE A 22 -3.286 0.059 0.620 1.00 0.00 N ATOM 297 CA PHE A 22 -3.138 -0.503 -0.719 1.00 0.00 C ATOM 298 C PHE A 22 -4.378 -1.280 -1.157 1.00 0.00 C ATOM 299 O PHE A 22 -5.231 -0.749 -1.868 1.00 0.00 O ATOM 300 CB PHE A 22 -1.888 -1.381 -0.763 1.00 0.00 C ATOM 301 CG PHE A 22 -0.654 -0.556 -0.930 1.00 0.00 C ATOM 302 CD1 PHE A 22 -0.245 0.290 0.085 1.00 0.00 C ATOM 303 CD2 PHE A 22 0.079 -0.599 -2.102 1.00 0.00 C ATOM 304 CE1 PHE A 22 0.880 1.071 -0.064 1.00 0.00 C ATOM 305 CE2 PHE A 22 1.203 0.187 -2.257 1.00 0.00 C ATOM 306 CZ PHE A 22 1.606 1.020 -1.236 1.00 0.00 C ATOM 0 H PHE A 22 -3.611 -0.598 1.330 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.026 0.318 -1.427 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.817 -1.964 0.155 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.968 -2.091 -1.586 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -0.813 0.339 1.002 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.231 -1.254 -2.903 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.194 1.724 0.737 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.766 0.149 -3.178 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.488 1.632 -1.353 1.00 0.00 H new ATOM 316 N GLY A 23 -4.465 -2.537 -0.748 1.00 0.00 N ATOM 317 CA GLY A 23 -5.593 -3.366 -1.124 1.00 0.00 C ATOM 318 C GLY A 23 -6.472 -3.778 0.050 1.00 0.00 C ATOM 319 O GLY A 23 -7.281 -2.982 0.526 1.00 0.00 O ATOM 0 H GLY A 23 -3.772 -3.000 -0.160 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.202 -2.827 -1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.223 -4.263 -1.621 1.00 0.00 H new ATOM 323 N PRO A 24 -6.364 -5.039 0.517 1.00 0.00 N ATOM 324 CA PRO A 24 -7.175 -5.569 1.603 1.00 0.00 C ATOM 325 C PRO A 24 -6.420 -5.669 2.923 1.00 0.00 C ATOM 326 O PRO A 24 -5.429 -6.392 3.020 1.00 0.00 O ATOM 327 CB PRO A 24 -7.468 -6.960 1.060 1.00 0.00 C ATOM 328 CG PRO A 24 -6.188 -7.368 0.396 1.00 0.00 C ATOM 329 CD PRO A 24 -5.471 -6.090 0.002 1.00 0.00 C ATOM 0 HA PRO A 24 -8.040 -4.950 1.841 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.741 -7.650 1.858 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.297 -6.946 0.353 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.574 -7.963 1.073 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.387 -7.985 -0.480 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.478 -6.030 0.447 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.341 -6.016 -1.078 1.00 0.00 H new ATOM 337 N SER A 25 -6.889 -4.946 3.943 1.00 0.00 N ATOM 338 CA SER A 25 -6.240 -4.971 5.257 1.00 0.00 C ATOM 339 C SER A 25 -4.731 -4.869 5.110 1.00 0.00 C ATOM 340 O SER A 25 -3.981 -5.396 5.933 1.00 0.00 O ATOM 341 CB SER A 25 -6.571 -6.276 5.986 1.00 0.00 C ATOM 342 OG SER A 25 -6.966 -6.035 7.328 1.00 0.00 O ATOM 0 H SER A 25 -7.708 -4.341 3.886 1.00 0.00 H new ATOM 0 HA SER A 25 -6.610 -4.120 5.830 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.370 -6.797 5.458 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.701 -6.932 5.974 1.00 0.00 H new ATOM 0 HG SER A 25 -7.172 -6.887 7.766 1.00 0.00 H new ATOM 348 N ILE A 26 -4.287 -4.235 4.038 1.00 0.00 N ATOM 349 CA ILE A 26 -2.870 -4.135 3.774 1.00 0.00 C ATOM 350 C ILE A 26 -2.359 -2.698 3.738 1.00 0.00 C ATOM 351 O ILE A 26 -3.117 -1.732 3.598 1.00 0.00 O ATOM 352 CB ILE A 26 -2.534 -4.830 2.449 1.00 0.00 C ATOM 353 CG1 ILE A 26 -1.137 -5.406 2.466 1.00 0.00 C ATOM 354 CG2 ILE A 26 -2.647 -3.859 1.308 1.00 0.00 C ATOM 355 CD1 ILE A 26 -1.016 -6.627 1.580 1.00 0.00 C ATOM 0 H ILE A 26 -4.885 -3.787 3.344 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.367 -4.630 4.605 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.248 -5.643 2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.428 -4.647 2.136 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.867 -5.672 3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.406 -4.366 0.374 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.665 -3.472 1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.952 -3.033 1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.004 -7.008 1.623 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.705 -7.397 1.926 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.260 -6.357 0.553 1.00 0.00 H new ATOM 367 N CYS A 27 -1.047 -2.602 3.853 1.00 0.00 N ATOM 368 CA CYS A 27 -0.327 -1.355 3.844 1.00 0.00 C ATOM 369 C CYS A 27 1.070 -1.614 3.297 1.00 0.00 C ATOM 370 O CYS A 27 1.663 -2.657 3.577 1.00 0.00 O ATOM 371 CB CYS A 27 -0.264 -0.812 5.257 1.00 0.00 C ATOM 372 SG CYS A 27 -1.239 0.700 5.512 1.00 0.00 S ATOM 0 H CYS A 27 -0.442 -3.416 3.958 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.826 -0.619 3.214 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.616 -1.580 5.946 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.776 -0.608 5.511 1.00 0.00 H new ATOM 377 N CYS A 28 1.591 -0.702 2.497 1.00 0.00 N ATOM 378 CA CYS A 28 2.885 -0.911 1.904 1.00 0.00 C ATOM 379 C CYS A 28 3.660 0.385 1.778 1.00 0.00 C ATOM 380 O CYS A 28 3.343 1.210 0.920 1.00 0.00 O ATOM 381 CB CYS A 28 2.682 -1.533 0.520 1.00 0.00 C ATOM 382 SG CYS A 28 3.622 -3.058 0.191 1.00 0.00 S ATOM 0 H CYS A 28 1.139 0.178 2.249 1.00 0.00 H new ATOM 0 HA CYS A 28 3.466 -1.574 2.545 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.621 -1.748 0.391 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.952 -0.793 -0.233 1.00 0.00 H new ATOM 387 N GLY A 29 4.675 0.585 2.608 1.00 0.00 N ATOM 388 CA GLY A 29 5.433 1.758 2.494 1.00 0.00 C ATOM 389 C GLY A 29 6.616 1.502 1.591 1.00 0.00 C ATOM 390 O GLY A 29 7.448 0.655 1.909 1.00 0.00 O ATOM 0 H GLY A 29 4.965 -0.056 3.346 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.820 2.563 2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.775 2.081 3.477 1.00 0.00 H new ATOM 394 N ASP A 30 6.696 2.175 0.448 1.00 0.00 N ATOM 395 CA ASP A 30 7.803 1.936 -0.474 1.00 0.00 C ATOM 396 C ASP A 30 9.097 2.206 0.267 1.00 0.00 C ATOM 397 O ASP A 30 9.926 1.315 0.443 1.00 0.00 O ATOM 398 CB ASP A 30 7.693 2.848 -1.697 1.00 0.00 C ATOM 399 CG ASP A 30 8.615 2.419 -2.821 1.00 0.00 C ATOM 400 OD1 ASP A 30 9.773 2.051 -2.531 1.00 0.00 O ATOM 401 OD2 ASP A 30 8.181 2.454 -3.991 1.00 0.00 O ATOM 0 H ASP A 30 6.023 2.877 0.141 1.00 0.00 H new ATOM 0 HA ASP A 30 7.777 0.905 -0.827 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.664 2.849 -2.055 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.930 3.871 -1.406 1.00 0.00 H new ATOM 406 N GLU A 31 9.210 3.407 0.789 1.00 0.00 N ATOM 407 CA GLU A 31 10.331 3.774 1.615 1.00 0.00 C ATOM 408 C GLU A 31 10.059 3.281 3.035 1.00 0.00 C ATOM 409 O GLU A 31 10.590 3.824 4.004 1.00 0.00 O ATOM 410 CB GLU A 31 10.459 5.290 1.643 1.00 0.00 C ATOM 411 CG GLU A 31 9.191 5.972 2.144 1.00 0.00 C ATOM 412 CD GLU A 31 9.482 7.229 2.935 1.00 0.00 C ATOM 413 OE1 GLU A 31 10.590 7.330 3.503 1.00 0.00 O ATOM 414 OE2 GLU A 31 8.602 8.113 2.990 1.00 0.00 O ATOM 0 H GLU A 31 8.528 4.153 0.652 1.00 0.00 H new ATOM 0 HA GLU A 31 11.247 3.334 1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.296 5.569 2.283 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.690 5.651 0.641 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.556 6.221 1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.630 5.276 2.768 1.00 0.00 H new ATOM 421 N LEU A 32 9.142 2.319 3.153 1.00 0.00 N ATOM 422 CA LEU A 32 8.703 1.848 4.449 1.00 0.00 C ATOM 423 C LEU A 32 8.235 0.392 4.436 1.00 0.00 C ATOM 424 O LEU A 32 7.330 0.017 5.177 1.00 0.00 O ATOM 425 CB LEU A 32 7.589 2.802 4.851 1.00 0.00 C ATOM 426 CG LEU A 32 6.912 2.609 6.197 1.00 0.00 C ATOM 427 CD1 LEU A 32 5.579 1.938 5.969 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.778 1.834 7.189 1.00 0.00 C ATOM 0 H LEU A 32 8.695 1.857 2.361 1.00 0.00 H new ATOM 0 HA LEU A 32 9.525 1.847 5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.996 3.813 4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.817 2.751 4.083 1.00 0.00 H new ATOM 0 HG LEU A 32 6.759 3.586 6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.077 1.791 6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.961 2.566 5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.735 0.972 5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.243 1.727 8.133 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.001 0.847 6.784 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.709 2.375 7.359 1.00 0.00 H new ATOM 440 N GLY A 33 8.870 -0.428 3.606 1.00 0.00 N ATOM 441 CA GLY A 33 8.517 -1.839 3.533 1.00 0.00 C ATOM 442 C GLY A 33 7.020 -2.084 3.530 1.00 0.00 C ATOM 443 O GLY A 33 6.234 -1.151 3.371 1.00 0.00 O ATOM 0 H GLY A 33 9.624 -0.143 2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.950 -2.268 2.630 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.962 -2.362 4.380 1.00 0.00 H new ATOM 447 N CYS A 34 6.613 -3.343 3.681 1.00 0.00 N ATOM 448 CA CYS A 34 5.197 -3.671 3.655 1.00 0.00 C ATOM 449 C CYS A 34 4.708 -4.351 4.919 1.00 0.00 C ATOM 450 O CYS A 34 5.370 -5.223 5.478 1.00 0.00 O ATOM 451 CB CYS A 34 4.881 -4.562 2.464 1.00 0.00 C ATOM 452 SG CYS A 34 3.232 -4.261 1.770 1.00 0.00 S ATOM 0 H CYS A 34 7.236 -4.139 3.820 1.00 0.00 H new ATOM 0 HA CYS A 34 4.674 -2.718 3.575 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.630 -4.402 1.689 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.956 -5.606 2.768 1.00 0.00 H new ATOM 457 N PHE A 35 3.509 -3.957 5.331 1.00 0.00 N ATOM 458 CA PHE A 35 2.854 -4.530 6.501 1.00 0.00 C ATOM 459 C PHE A 35 1.417 -4.917 6.162 1.00 0.00 C ATOM 460 O PHE A 35 0.593 -4.045 5.890 1.00 0.00 O ATOM 461 CB PHE A 35 2.824 -3.532 7.654 1.00 0.00 C ATOM 462 CG PHE A 35 4.103 -2.797 7.880 1.00 0.00 C ATOM 463 CD1 PHE A 35 5.189 -3.427 8.457 1.00 0.00 C ATOM 464 CD2 PHE A 35 4.211 -1.474 7.518 1.00 0.00 C ATOM 465 CE1 PHE A 35 6.370 -2.736 8.662 1.00 0.00 C ATOM 466 CE2 PHE A 35 5.377 -0.782 7.723 1.00 0.00 C ATOM 467 CZ PHE A 35 6.457 -1.406 8.293 1.00 0.00 C ATOM 0 H PHE A 35 2.964 -3.232 4.864 1.00 0.00 H new ATOM 0 HA PHE A 35 3.422 -5.411 6.799 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.033 -2.806 7.467 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.560 -4.063 8.569 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.116 -4.464 8.749 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.367 -0.974 7.067 1.00 0.00 H new ATOM 0 HE1 PHE A 35 7.219 -3.232 9.108 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.445 0.257 7.435 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.375 -0.859 8.454 1.00 0.00 H new ATOM 477 N VAL A 36 1.096 -6.204 6.202 1.00 0.00 N ATOM 478 CA VAL A 36 -0.267 -6.627 5.916 1.00 0.00 C ATOM 479 C VAL A 36 -1.057 -6.753 7.200 1.00 0.00 C ATOM 480 O VAL A 36 -0.931 -7.730 7.938 1.00 0.00 O ATOM 481 CB VAL A 36 -0.340 -7.959 5.151 1.00 0.00 C ATOM 482 CG1 VAL A 36 -1.731 -8.148 4.547 1.00 0.00 C ATOM 483 CG2 VAL A 36 0.734 -8.021 4.075 1.00 0.00 C ATOM 0 H VAL A 36 1.746 -6.958 6.425 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.696 -5.856 5.275 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.158 -8.773 5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.768 -9.095 4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.476 -8.154 5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.943 -7.330 3.858 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.665 -8.971 3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.591 -7.202 3.370 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.717 -7.934 4.537 1.00 0.00 H new ATOM 493 N GLY A 37 -1.872 -5.747 7.454 1.00 0.00 N ATOM 494 CA GLY A 37 -2.687 -5.736 8.650 1.00 0.00 C ATOM 495 C GLY A 37 -1.867 -5.769 9.930 1.00 0.00 C ATOM 496 O GLY A 37 -2.384 -6.127 10.989 1.00 0.00 O ATOM 0 H GLY A 37 -1.986 -4.932 6.851 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.312 -4.843 8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.358 -6.595 8.633 1.00 0.00 H new ATOM 500 N THR A 38 -0.590 -5.391 9.846 1.00 0.00 N ATOM 501 CA THR A 38 0.268 -5.370 11.029 1.00 0.00 C ATOM 502 C THR A 38 -0.043 -4.137 11.857 1.00 0.00 C ATOM 503 O THR A 38 -0.959 -3.380 11.539 1.00 0.00 O ATOM 504 CB THR A 38 1.760 -5.335 10.663 1.00 0.00 C ATOM 505 OG1 THR A 38 2.175 -4.006 10.405 1.00 0.00 O ATOM 506 CG2 THR A 38 2.137 -6.176 9.459 1.00 0.00 C ATOM 0 H THR A 38 -0.133 -5.099 8.982 1.00 0.00 H new ATOM 0 HA THR A 38 0.069 -6.284 11.588 1.00 0.00 H new ATOM 0 HB THR A 38 2.265 -5.760 11.531 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.149 -3.945 10.490 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.208 -6.090 9.276 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.884 -7.219 9.650 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.590 -5.825 8.584 1.00 0.00 H new ATOM 514 N ALA A 39 0.755 -3.910 12.889 1.00 0.00 N ATOM 515 CA ALA A 39 0.579 -2.735 13.720 1.00 0.00 C ATOM 516 C ALA A 39 0.810 -1.487 12.880 1.00 0.00 C ATOM 517 O ALA A 39 0.070 -0.517 12.968 1.00 0.00 O ATOM 518 CB ALA A 39 1.534 -2.773 14.906 1.00 0.00 C ATOM 0 H ALA A 39 1.524 -4.520 13.167 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.438 -2.718 14.111 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.388 -1.884 15.519 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.336 -3.662 15.504 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.562 -2.800 14.545 1.00 0.00 H new ATOM 524 N GLU A 40 1.836 -1.533 12.042 1.00 0.00 N ATOM 525 CA GLU A 40 2.161 -0.416 11.169 1.00 0.00 C ATOM 526 C GLU A 40 1.193 -0.331 9.983 1.00 0.00 C ATOM 527 O GLU A 40 1.198 0.650 9.237 1.00 0.00 O ATOM 528 CB GLU A 40 3.598 -0.559 10.673 1.00 0.00 C ATOM 529 CG GLU A 40 4.597 0.285 11.450 1.00 0.00 C ATOM 530 CD GLU A 40 5.239 -0.477 12.594 1.00 0.00 C ATOM 531 OE1 GLU A 40 4.608 -1.428 13.101 1.00 0.00 O ATOM 532 OE2 GLU A 40 6.372 -0.123 12.982 1.00 0.00 O ATOM 0 H GLU A 40 2.459 -2.335 11.949 1.00 0.00 H new ATOM 0 HA GLU A 40 2.062 0.507 11.740 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.893 -1.606 10.736 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.640 -0.279 9.620 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.374 0.638 10.772 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.093 1.168 11.844 1.00 0.00 H new ATOM 539 N ALA A 41 0.380 -1.372 9.802 1.00 0.00 N ATOM 540 CA ALA A 41 -0.576 -1.427 8.695 1.00 0.00 C ATOM 541 C ALA A 41 -1.998 -1.082 9.124 1.00 0.00 C ATOM 542 O ALA A 41 -2.873 -0.884 8.281 1.00 0.00 O ATOM 543 CB ALA A 41 -0.581 -2.816 8.105 1.00 0.00 C ATOM 0 H ALA A 41 0.364 -2.191 10.410 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.256 -0.685 7.964 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.293 -2.858 7.280 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.416 -3.059 7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.870 -3.536 8.871 1.00 0.00 H new ATOM 549 N LEU A 42 -2.238 -1.045 10.427 1.00 0.00 N ATOM 550 CA LEU A 42 -3.568 -0.758 10.946 1.00 0.00 C ATOM 551 C LEU A 42 -4.162 0.535 10.393 1.00 0.00 C ATOM 552 O LEU A 42 -5.360 0.762 10.524 1.00 0.00 O ATOM 553 CB LEU A 42 -3.562 -0.721 12.477 1.00 0.00 C ATOM 554 CG LEU A 42 -2.521 0.197 13.140 1.00 0.00 C ATOM 555 CD1 LEU A 42 -1.773 1.051 12.121 1.00 0.00 C ATOM 556 CD2 LEU A 42 -3.183 1.082 14.188 1.00 0.00 C ATOM 0 H LEU A 42 -1.531 -1.210 11.143 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.207 -1.573 10.606 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.552 -0.413 12.814 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.403 -1.736 12.842 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.787 -0.446 13.626 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.049 1.682 12.637 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.252 0.403 11.416 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.482 1.679 11.582 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.433 1.725 14.648 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.948 1.698 13.714 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.643 0.457 14.954 1.00 0.00 H new ATOM 568 N ARG A 43 -3.349 1.379 9.770 1.00 0.00 N ATOM 569 CA ARG A 43 -3.857 2.626 9.212 1.00 0.00 C ATOM 570 C ARG A 43 -5.088 2.377 8.342 1.00 0.00 C ATOM 571 O ARG A 43 -5.925 3.263 8.164 1.00 0.00 O ATOM 572 CB ARG A 43 -2.779 3.336 8.403 1.00 0.00 C ATOM 573 CG ARG A 43 -2.378 4.675 8.997 1.00 0.00 C ATOM 574 CD ARG A 43 -1.857 4.510 10.416 1.00 0.00 C ATOM 575 NE ARG A 43 -0.791 5.460 10.724 1.00 0.00 N ATOM 576 CZ ARG A 43 -0.998 6.666 11.251 1.00 0.00 C ATOM 577 NH1 ARG A 43 -2.230 7.082 11.517 1.00 0.00 N ATOM 578 NH2 ARG A 43 0.032 7.461 11.510 1.00 0.00 N ATOM 0 H ARG A 43 -2.349 1.227 9.639 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.148 3.267 10.044 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.900 2.695 8.338 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.138 3.489 7.385 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.611 5.137 8.376 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.236 5.348 8.997 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.677 4.645 11.121 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.486 3.494 10.550 1.00 0.00 H new ATOM 0 HE ARG A 43 0.170 5.183 10.523 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.027 6.477 11.318 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.380 8.007 11.920 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.981 7.149 11.306 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.125 8.385 11.913 1.00 0.00 H new ATOM 592 N CYS A 44 -5.193 1.166 7.806 1.00 0.00 N ATOM 593 CA CYS A 44 -6.318 0.806 6.960 1.00 0.00 C ATOM 594 C CYS A 44 -7.564 0.497 7.780 1.00 0.00 C ATOM 595 O CYS A 44 -8.652 0.345 7.227 1.00 0.00 O ATOM 596 CB CYS A 44 -5.954 -0.361 6.051 1.00 0.00 C ATOM 597 SG CYS A 44 -5.912 0.066 4.276 1.00 0.00 S ATOM 0 H CYS A 44 -4.512 0.420 7.944 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.551 1.667 6.334 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.978 -0.746 6.345 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.673 -1.166 6.204 1.00 0.00 H new ATOM 602 N GLN A 45 -7.418 0.441 9.102 1.00 0.00 N ATOM 603 CA GLN A 45 -8.552 0.199 9.969 1.00 0.00 C ATOM 604 C GLN A 45 -9.591 1.288 9.738 1.00 0.00 C ATOM 605 O GLN A 45 -10.785 1.093 9.967 1.00 0.00 O ATOM 606 CB GLN A 45 -8.115 0.188 11.432 1.00 0.00 C ATOM 607 CG GLN A 45 -8.102 -1.197 12.058 1.00 0.00 C ATOM 608 CD GLN A 45 -7.936 -1.153 13.565 1.00 0.00 C ATOM 609 OE1 GLN A 45 -8.710 -1.759 14.305 1.00 0.00 O ATOM 610 NE2 GLN A 45 -6.921 -0.431 14.027 1.00 0.00 N ATOM 0 H GLN A 45 -6.529 0.560 9.587 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.983 -0.775 9.738 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.117 0.620 11.507 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.783 0.830 12.006 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.031 -1.711 11.813 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.291 -1.781 11.623 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.304 0.055 13.377 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.759 -0.363 15.032 1.00 0.00 H new ATOM 619 N GLU A 46 -9.112 2.434 9.253 1.00 0.00 N ATOM 620 CA GLU A 46 -9.973 3.562 8.949 1.00 0.00 C ATOM 621 C GLU A 46 -10.680 3.319 7.620 1.00 0.00 C ATOM 622 O GLU A 46 -11.693 3.948 7.312 1.00 0.00 O ATOM 623 CB GLU A 46 -9.139 4.847 8.881 1.00 0.00 C ATOM 624 CG GLU A 46 -8.307 4.975 7.612 1.00 0.00 C ATOM 625 CD GLU A 46 -8.909 5.943 6.614 1.00 0.00 C ATOM 626 OE1 GLU A 46 -8.843 7.166 6.858 1.00 0.00 O ATOM 627 OE2 GLU A 46 -9.447 5.478 5.587 1.00 0.00 O ATOM 0 H GLU A 46 -8.124 2.599 9.063 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.721 3.672 9.734 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.806 5.706 8.955 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.475 4.884 9.745 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.302 5.307 7.873 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.208 3.994 7.147 1.00 0.00 H new ATOM 634 N GLU A 47 -10.138 2.382 6.843 1.00 0.00 N ATOM 635 CA GLU A 47 -10.712 2.030 5.552 1.00 0.00 C ATOM 636 C GLU A 47 -11.886 1.065 5.727 1.00 0.00 C ATOM 637 O GLU A 47 -12.524 0.663 4.754 1.00 0.00 O ATOM 638 CB GLU A 47 -9.637 1.397 4.663 1.00 0.00 C ATOM 639 CG GLU A 47 -10.096 1.114 3.242 1.00 0.00 C ATOM 640 CD GLU A 47 -10.460 2.373 2.480 1.00 0.00 C ATOM 641 OE1 GLU A 47 -10.348 3.474 3.058 1.00 0.00 O ATOM 642 OE2 GLU A 47 -10.855 2.256 1.303 1.00 0.00 O ATOM 0 H GLU A 47 -9.301 1.854 7.089 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.084 2.937 5.076 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.772 2.060 4.629 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.306 0.464 5.119 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.305 0.587 2.708 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.959 0.449 3.270 1.00 0.00 H new ATOM 649 N ASN A 48 -12.167 0.698 6.976 1.00 0.00 N ATOM 650 CA ASN A 48 -13.251 -0.210 7.286 1.00 0.00 C ATOM 651 C ASN A 48 -14.489 0.540 7.780 1.00 0.00 C ATOM 652 O ASN A 48 -15.541 -0.064 7.988 1.00 0.00 O ATOM 653 CB ASN A 48 -12.801 -1.225 8.339 1.00 0.00 C ATOM 654 CG ASN A 48 -12.800 -2.645 7.809 1.00 0.00 C ATOM 655 OD1 ASN A 48 -13.827 -3.152 7.359 1.00 0.00 O ATOM 656 ND2 ASN A 48 -11.643 -3.295 7.862 1.00 0.00 N ATOM 0 H ASN A 48 -11.649 1.024 7.792 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.520 -0.733 6.368 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.799 -0.968 8.683 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -13.461 -1.163 9.204 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.581 -4.254 7.521 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.817 -2.835 8.244 1.00 0.00 H new ATOM 663 N TYR A 49 -14.359 1.851 7.983 1.00 0.00 N ATOM 664 CA TYR A 49 -15.478 2.659 8.465 1.00 0.00 C ATOM 665 C TYR A 49 -15.513 4.033 7.799 1.00 0.00 C ATOM 666 O TYR A 49 -15.711 5.049 8.464 1.00 0.00 O ATOM 667 CB TYR A 49 -15.399 2.819 9.983 1.00 0.00 C ATOM 668 CG TYR A 49 -15.537 1.524 10.723 1.00 0.00 C ATOM 669 CD1 TYR A 49 -16.785 1.033 10.974 1.00 0.00 C ATOM 670 CD2 TYR A 49 -14.434 0.800 11.155 1.00 0.00 C ATOM 671 CE1 TYR A 49 -16.969 -0.161 11.643 1.00 0.00 C ATOM 672 CE2 TYR A 49 -14.595 -0.397 11.829 1.00 0.00 C ATOM 673 CZ TYR A 49 -15.868 -0.874 12.070 1.00 0.00 C ATOM 674 OH TYR A 49 -16.038 -2.065 12.738 1.00 0.00 O ATOM 0 H TYR A 49 -13.497 2.372 7.823 1.00 0.00 H new ATOM 0 HA TYR A 49 -16.397 2.136 8.202 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -14.446 3.279 10.244 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.183 3.502 10.311 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -17.648 1.591 10.642 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -13.440 1.175 10.963 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -17.965 -0.533 11.830 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -13.732 -0.954 12.164 1.00 0.00 H new ATOM 0 HH TYR A 49 -15.162 -2.439 12.968 1.00 0.00 H new ATOM 684 N LEU A 50 -15.354 4.056 6.479 1.00 0.00 N ATOM 685 CA LEU A 50 -15.398 5.296 5.731 1.00 0.00 C ATOM 686 C LEU A 50 -16.181 5.117 4.432 1.00 0.00 C ATOM 687 O LEU A 50 -16.153 4.052 3.818 1.00 0.00 O ATOM 688 CB LEU A 50 -13.981 5.838 5.463 1.00 0.00 C ATOM 689 CG LEU A 50 -13.152 5.118 4.388 1.00 0.00 C ATOM 690 CD1 LEU A 50 -13.363 3.613 4.435 1.00 0.00 C ATOM 691 CD2 LEU A 50 -13.466 5.666 3.002 1.00 0.00 C ATOM 0 H LEU A 50 -15.194 3.225 5.910 1.00 0.00 H new ATOM 0 HA LEU A 50 -15.920 6.037 6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.067 6.887 5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.423 5.806 6.399 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.100 5.310 4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.761 3.137 3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.063 3.234 5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -14.416 3.388 4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.867 5.140 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -14.524 5.520 2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.232 6.730 2.970 1.00 0.00 H new ATOM 703 N PRO A 51 -16.915 6.157 4.002 1.00 0.00 N ATOM 704 CA PRO A 51 -17.724 6.103 2.779 1.00 0.00 C ATOM 705 C PRO A 51 -16.954 5.549 1.585 1.00 0.00 C ATOM 706 O PRO A 51 -15.991 6.158 1.118 1.00 0.00 O ATOM 707 CB PRO A 51 -18.091 7.565 2.552 1.00 0.00 C ATOM 708 CG PRO A 51 -18.160 8.121 3.925 1.00 0.00 C ATOM 709 CD PRO A 51 -17.034 7.465 4.675 1.00 0.00 C ATOM 0 HA PRO A 51 -18.581 5.438 2.882 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -17.342 8.078 1.948 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -19.043 7.664 2.031 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -18.048 9.205 3.917 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -19.122 7.903 4.390 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -16.111 8.041 4.606 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -17.263 7.356 5.735 1.00 0.00 H new ATOM 717 N SER A 52 -17.386 4.390 1.094 1.00 0.00 N ATOM 718 CA SER A 52 -16.739 3.756 -0.050 1.00 0.00 C ATOM 719 C SER A 52 -15.254 3.513 0.227 1.00 0.00 C ATOM 720 O SER A 52 -14.752 3.858 1.297 1.00 0.00 O ATOM 721 CB SER A 52 -16.915 4.628 -1.295 1.00 0.00 C ATOM 722 OG SER A 52 -18.155 5.314 -1.261 1.00 0.00 O ATOM 0 H SER A 52 -18.180 3.872 1.470 1.00 0.00 H new ATOM 0 HA SER A 52 -17.211 2.789 -0.223 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.099 5.347 -1.358 1.00 0.00 H new ATOM 0 HB3 SER A 52 -16.863 4.007 -2.189 1.00 0.00 H new ATOM 0 HG SER A 52 -18.245 5.866 -2.065 1.00 0.00 H new ATOM 728 N PRO A 53 -14.529 2.905 -0.732 1.00 0.00 N ATOM 729 CA PRO A 53 -13.109 2.614 -0.584 1.00 0.00 C ATOM 730 C PRO A 53 -12.234 3.751 -1.099 1.00 0.00 C ATOM 731 O PRO A 53 -12.724 4.664 -1.755 1.00 0.00 O ATOM 732 CB PRO A 53 -12.944 1.371 -1.451 1.00 0.00 C ATOM 733 CG PRO A 53 -13.934 1.545 -2.558 1.00 0.00 C ATOM 734 CD PRO A 53 -15.036 2.440 -2.035 1.00 0.00 C ATOM 0 HA PRO A 53 -12.808 2.480 0.455 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.928 1.290 -1.838 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.142 0.463 -0.882 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.459 1.990 -3.432 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -14.336 0.581 -2.870 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.227 3.274 -2.710 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -15.975 1.896 -1.927 1.00 0.00 H new ATOM 742 N CYS A 54 -10.940 3.692 -0.791 1.00 0.00 N ATOM 743 CA CYS A 54 -9.996 4.727 -1.214 1.00 0.00 C ATOM 744 C CYS A 54 -9.103 4.231 -2.355 1.00 0.00 C ATOM 745 O CYS A 54 -9.455 3.286 -3.061 1.00 0.00 O ATOM 746 CB CYS A 54 -9.147 5.163 -0.016 1.00 0.00 C ATOM 747 SG CYS A 54 -8.198 3.814 0.756 1.00 0.00 S ATOM 0 H CYS A 54 -10.520 2.937 -0.249 1.00 0.00 H new ATOM 0 HA CYS A 54 -10.560 5.582 -1.588 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.455 5.941 -0.339 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.800 5.609 0.735 1.00 0.00 H new ATOM 752 N GLN A 55 -7.950 4.877 -2.537 1.00 0.00 N ATOM 753 CA GLN A 55 -7.026 4.505 -3.589 1.00 0.00 C ATOM 754 C GLN A 55 -5.579 4.575 -3.107 1.00 0.00 C ATOM 755 O GLN A 55 -5.250 5.333 -2.196 1.00 0.00 O ATOM 756 CB GLN A 55 -7.209 5.413 -4.806 1.00 0.00 C ATOM 757 CG GLN A 55 -6.811 4.757 -6.119 1.00 0.00 C ATOM 758 CD GLN A 55 -6.207 5.737 -7.105 1.00 0.00 C ATOM 759 OE1 GLN A 55 -6.268 6.951 -6.909 1.00 0.00 O ATOM 760 NE2 GLN A 55 -5.614 5.213 -8.172 1.00 0.00 N ATOM 0 H GLN A 55 -7.641 5.662 -1.963 1.00 0.00 H new ATOM 0 HA GLN A 55 -7.245 3.475 -3.872 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.253 5.722 -4.865 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.617 6.317 -4.667 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.094 3.961 -5.919 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.688 4.291 -6.568 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.587 4.201 -8.295 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.186 5.823 -8.869 1.00 0.00 H new ATOM 769 N SER A 56 -4.718 3.777 -3.729 1.00 0.00 N ATOM 770 CA SER A 56 -3.305 3.738 -3.367 1.00 0.00 C ATOM 771 C SER A 56 -2.424 4.094 -4.565 1.00 0.00 C ATOM 772 O SER A 56 -2.889 4.705 -5.526 1.00 0.00 O ATOM 773 CB SER A 56 -2.951 2.346 -2.840 1.00 0.00 C ATOM 774 OG SER A 56 -3.102 1.365 -3.852 1.00 0.00 O ATOM 0 H SER A 56 -4.975 3.146 -4.489 1.00 0.00 H new ATOM 0 HA SER A 56 -3.122 4.477 -2.587 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.924 2.342 -2.475 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.591 2.101 -1.993 1.00 0.00 H new ATOM 0 HG SER A 56 -2.584 0.568 -3.615 1.00 0.00 H new ATOM 780 N GLY A 57 -1.154 3.696 -4.510 1.00 0.00 N ATOM 781 CA GLY A 57 -0.243 3.972 -5.603 1.00 0.00 C ATOM 782 C GLY A 57 0.642 2.790 -5.868 1.00 0.00 C ATOM 783 O GLY A 57 1.706 2.652 -5.267 1.00 0.00 O ATOM 0 H GLY A 57 -0.743 3.188 -3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.809 4.217 -6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.367 4.843 -5.363 1.00 0.00 H new ATOM 787 N GLN A 58 0.172 1.903 -6.731 1.00 0.00 N ATOM 788 CA GLN A 58 0.891 0.689 -7.029 1.00 0.00 C ATOM 789 C GLN A 58 1.462 0.653 -8.448 1.00 0.00 C ATOM 790 O GLN A 58 0.820 0.156 -9.370 1.00 0.00 O ATOM 791 CB GLN A 58 -0.070 -0.464 -6.815 1.00 0.00 C ATOM 792 CG GLN A 58 0.019 -1.046 -5.420 1.00 0.00 C ATOM 793 CD GLN A 58 0.547 -2.471 -5.400 1.00 0.00 C ATOM 794 OE1 GLN A 58 1.296 -2.855 -4.502 1.00 0.00 O ATOM 795 NE2 GLN A 58 0.142 -3.272 -6.381 1.00 0.00 N ATOM 0 H GLN A 58 -0.708 2.008 -7.236 1.00 0.00 H new ATOM 0 HA GLN A 58 1.756 0.623 -6.369 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.089 -0.122 -6.997 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.139 -1.246 -7.545 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.667 -0.416 -4.811 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.969 -1.025 -4.960 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.479 -2.915 -7.107 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.453 -4.243 -6.407 1.00 0.00 H new ATOM 804 N LYS A 59 2.690 1.148 -8.597 1.00 0.00 N ATOM 805 CA LYS A 59 3.391 1.149 -9.871 1.00 0.00 C ATOM 806 C LYS A 59 3.644 -0.295 -10.338 1.00 0.00 C ATOM 807 O LYS A 59 4.448 -1.009 -9.748 1.00 0.00 O ATOM 808 CB LYS A 59 4.701 1.927 -9.717 1.00 0.00 C ATOM 809 CG LYS A 59 5.322 1.823 -8.334 1.00 0.00 C ATOM 810 CD LYS A 59 4.973 3.043 -7.492 1.00 0.00 C ATOM 811 CE LYS A 59 4.740 2.691 -6.024 1.00 0.00 C ATOM 812 NZ LYS A 59 5.686 1.647 -5.533 1.00 0.00 N ATOM 0 H LYS A 59 3.225 1.560 -7.832 1.00 0.00 H new ATOM 0 HA LYS A 59 2.783 1.637 -10.633 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.417 1.563 -10.454 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.517 2.977 -9.943 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.967 0.920 -7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.405 1.734 -8.422 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.779 3.773 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.078 3.516 -7.896 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.847 3.589 -5.416 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.716 2.339 -5.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.654 1.610 -4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.413 0.721 -5.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.651 1.881 -5.841 1.00 0.00 H new ATOM 826 N PRO A 60 2.905 -0.753 -11.370 1.00 0.00 N ATOM 827 CA PRO A 60 2.974 -2.131 -11.895 1.00 0.00 C ATOM 828 C PRO A 60 4.357 -2.774 -12.024 1.00 0.00 C ATOM 829 O PRO A 60 5.378 -2.102 -12.164 1.00 0.00 O ATOM 830 CB PRO A 60 2.343 -1.993 -13.275 1.00 0.00 C ATOM 831 CG PRO A 60 1.323 -0.926 -13.110 1.00 0.00 C ATOM 832 CD PRO A 60 1.873 0.031 -12.084 1.00 0.00 C ATOM 0 HA PRO A 60 2.482 -2.802 -11.190 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.085 -1.721 -14.026 1.00 0.00 H new ATOM 0 HB3 PRO A 60 1.889 -2.929 -13.600 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.137 -0.417 -14.056 1.00 0.00 H new ATOM 0 HG3 PRO A 60 0.372 -1.345 -12.781 1.00 0.00 H new ATOM 0 HD2 PRO A 60 2.301 0.916 -12.555 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.094 0.376 -11.404 1.00 0.00 H new ATOM 840 N CYS A 61 4.330 -4.120 -12.038 1.00 0.00 N ATOM 841 CA CYS A 61 5.515 -4.954 -12.211 1.00 0.00 C ATOM 842 C CYS A 61 5.121 -6.398 -12.529 1.00 0.00 C ATOM 843 O CYS A 61 4.043 -6.876 -12.151 1.00 0.00 O ATOM 844 CB CYS A 61 6.439 -4.944 -10.991 1.00 0.00 C ATOM 845 SG CYS A 61 5.666 -4.405 -9.436 1.00 0.00 S ATOM 0 H CYS A 61 3.470 -4.657 -11.927 1.00 0.00 H new ATOM 0 HA CYS A 61 6.065 -4.522 -13.047 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.839 -5.948 -10.850 1.00 0.00 H new ATOM 0 HB3 CYS A 61 7.286 -4.291 -11.202 1.00 0.00 H new ATOM 850 N GLY A 62 6.017 -7.087 -13.226 1.00 0.00 N ATOM 851 CA GLY A 62 5.782 -8.463 -13.610 1.00 0.00 C ATOM 852 C GLY A 62 5.768 -9.438 -12.443 1.00 0.00 C ATOM 853 O GLY A 62 5.688 -10.649 -12.651 1.00 0.00 O ATOM 0 H GLY A 62 6.913 -6.709 -13.535 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.828 -8.525 -14.133 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.554 -8.769 -14.316 1.00 0.00 H new ATOM 857 N SER A 63 5.855 -8.928 -11.218 1.00 0.00 N ATOM 858 CA SER A 63 5.856 -9.781 -10.051 1.00 0.00 C ATOM 859 C SER A 63 4.439 -10.005 -9.528 1.00 0.00 C ATOM 860 O SER A 63 4.145 -9.750 -8.360 1.00 0.00 O ATOM 861 CB SER A 63 6.743 -9.190 -8.954 1.00 0.00 C ATOM 862 OG SER A 63 6.881 -10.091 -7.870 1.00 0.00 O ATOM 0 H SER A 63 5.925 -7.931 -11.016 1.00 0.00 H new ATOM 0 HA SER A 63 6.263 -10.749 -10.345 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.726 -8.955 -9.363 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.313 -8.253 -8.600 1.00 0.00 H new ATOM 0 HG SER A 63 7.486 -9.708 -7.201 1.00 0.00 H new ATOM 868 N GLY A 64 3.571 -10.500 -10.405 1.00 0.00 N ATOM 869 CA GLY A 64 2.199 -10.778 -10.030 1.00 0.00 C ATOM 870 C GLY A 64 1.471 -9.591 -9.442 1.00 0.00 C ATOM 871 O GLY A 64 0.593 -9.752 -8.594 1.00 0.00 O ATOM 0 H GLY A 64 3.797 -10.715 -11.376 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.656 -11.126 -10.909 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.189 -11.593 -9.306 1.00 0.00 H new ATOM 875 N GLY A 65 1.823 -8.405 -9.897 1.00 0.00 N ATOM 876 CA GLY A 65 1.176 -7.210 -9.410 1.00 0.00 C ATOM 877 C GLY A 65 1.921 -5.937 -9.676 1.00 0.00 C ATOM 878 O GLY A 65 2.632 -5.808 -10.669 1.00 0.00 O ATOM 0 H GLY A 65 2.548 -8.247 -10.597 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.188 -7.138 -9.865 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.025 -7.308 -8.335 1.00 0.00 H new ATOM 882 N ARG A 66 1.742 -4.981 -8.784 1.00 0.00 N ATOM 883 CA ARG A 66 2.389 -3.704 -8.920 1.00 0.00 C ATOM 884 C ARG A 66 3.304 -3.434 -7.742 1.00 0.00 C ATOM 885 O ARG A 66 3.109 -3.971 -6.658 1.00 0.00 O ATOM 886 CB ARG A 66 1.391 -2.559 -9.046 1.00 0.00 C ATOM 887 CG ARG A 66 0.038 -2.944 -9.633 1.00 0.00 C ATOM 888 CD ARG A 66 0.187 -3.702 -10.942 1.00 0.00 C ATOM 889 NE ARG A 66 -1.061 -3.777 -11.694 1.00 0.00 N ATOM 890 CZ ARG A 66 -1.132 -4.190 -12.957 1.00 0.00 C ATOM 891 NH1 ARG A 66 -0.031 -4.558 -13.603 1.00 0.00 N ATOM 892 NH2 ARG A 66 -2.302 -4.234 -13.579 1.00 0.00 N ATOM 0 H ARG A 66 1.151 -5.072 -7.958 1.00 0.00 H new ATOM 0 HA ARG A 66 2.973 -3.752 -9.839 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.232 -2.126 -8.059 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.832 -1.780 -9.668 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.508 -3.559 -8.917 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.556 -2.045 -9.799 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.947 -3.216 -11.554 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.543 -4.711 -10.734 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.924 -3.498 -11.227 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.873 -4.525 -13.131 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.089 -4.874 -14.571 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.151 -3.951 -13.089 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.353 -4.551 -14.547 1.00 0.00 H new ATOM 906 N CYS A 67 4.299 -2.592 -7.969 1.00 0.00 N ATOM 907 CA CYS A 67 5.254 -2.230 -6.945 1.00 0.00 C ATOM 908 C CYS A 67 4.561 -1.510 -5.808 1.00 0.00 C ATOM 909 O CYS A 67 3.427 -1.057 -5.951 1.00 0.00 O ATOM 910 CB CYS A 67 6.361 -1.364 -7.543 1.00 0.00 C ATOM 911 SG CYS A 67 7.722 -0.980 -6.392 1.00 0.00 S ATOM 0 H CYS A 67 4.464 -2.142 -8.870 1.00 0.00 H new ATOM 0 HA CYS A 67 5.705 -3.138 -6.546 1.00 0.00 H new ATOM 0 HB2 CYS A 67 6.772 -1.872 -8.415 1.00 0.00 H new ATOM 0 HB3 CYS A 67 5.924 -0.429 -7.895 1.00 0.00 H new ATOM 916 N ALA A 68 5.225 -1.436 -4.669 1.00 0.00 N ATOM 917 CA ALA A 68 4.634 -0.798 -3.514 1.00 0.00 C ATOM 918 C ALA A 68 5.677 -0.429 -2.444 1.00 0.00 C ATOM 919 O ALA A 68 6.225 0.673 -2.447 1.00 0.00 O ATOM 920 CB ALA A 68 3.571 -1.742 -2.968 1.00 0.00 C ATOM 0 H ALA A 68 6.164 -1.806 -4.522 1.00 0.00 H new ATOM 0 HA ALA A 68 4.185 0.151 -3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.101 -1.294 -2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.816 -1.921 -3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.034 -2.688 -2.687 1.00 0.00 H new ATOM 926 N ALA A 69 5.892 -1.346 -1.514 1.00 0.00 N ATOM 927 CA ALA A 69 6.820 -1.171 -0.406 1.00 0.00 C ATOM 928 C ALA A 69 8.276 -1.268 -0.832 1.00 0.00 C ATOM 929 O ALA A 69 8.575 -1.314 -2.024 1.00 0.00 O ATOM 930 CB ALA A 69 6.535 -2.203 0.661 1.00 0.00 C ATOM 0 H ALA A 69 5.418 -2.249 -1.507 1.00 0.00 H new ATOM 0 HA ALA A 69 6.667 -0.165 -0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.230 -2.071 1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.514 -2.081 1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.655 -3.202 0.242 1.00 0.00 H new ATOM 936 N ALA A 70 9.192 -1.294 0.161 1.00 0.00 N ATOM 937 CA ALA A 70 10.616 -1.398 -0.135 1.00 0.00 C ATOM 938 C ALA A 70 10.825 -2.492 -1.133 1.00 0.00 C ATOM 939 O ALA A 70 10.939 -3.653 -0.751 1.00 0.00 O ATOM 940 CB ALA A 70 11.438 -1.740 1.094 1.00 0.00 C ATOM 0 H ALA A 70 8.965 -1.245 1.154 1.00 0.00 H new ATOM 0 HA ALA A 70 10.939 -0.428 -0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.491 -1.806 0.821 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.307 -0.963 1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.107 -2.697 1.498 1.00 0.00 H new ATOM 946 N GLY A 71 10.807 -2.157 -2.402 1.00 0.00 N ATOM 947 CA GLY A 71 10.944 -3.183 -3.380 1.00 0.00 C ATOM 948 C GLY A 71 9.892 -4.245 -3.176 1.00 0.00 C ATOM 949 O GLY A 71 10.202 -5.411 -2.952 1.00 0.00 O ATOM 0 H GLY A 71 10.702 -1.209 -2.763 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.851 -2.757 -4.379 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.937 -3.628 -3.314 1.00 0.00 H new ATOM 953 N ILE A 72 8.645 -3.835 -3.275 1.00 0.00 N ATOM 954 CA ILE A 72 7.532 -4.736 -3.126 1.00 0.00 C ATOM 955 C ILE A 72 6.615 -4.566 -4.312 1.00 0.00 C ATOM 956 O ILE A 72 6.492 -3.480 -4.866 1.00 0.00 O ATOM 957 CB ILE A 72 6.749 -4.519 -1.798 1.00 0.00 C ATOM 958 CG1 ILE A 72 7.489 -5.177 -0.624 1.00 0.00 C ATOM 959 CG2 ILE A 72 5.312 -5.053 -1.879 1.00 0.00 C ATOM 960 CD1 ILE A 72 7.164 -6.644 -0.405 1.00 0.00 C ATOM 0 H ILE A 72 8.379 -2.868 -3.461 1.00 0.00 H new ATOM 0 HA ILE A 72 7.923 -5.753 -3.084 1.00 0.00 H new ATOM 0 HB ILE A 72 6.692 -3.443 -1.632 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.562 -5.078 -0.789 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.255 -4.628 0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.805 -4.879 -0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.776 -4.537 -2.676 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.333 -6.122 -2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.734 -7.020 0.445 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.098 -6.755 -0.205 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.426 -7.212 -1.298 1.00 0.00 H new ATOM 972 N CYS A 73 5.990 -5.648 -4.690 1.00 0.00 N ATOM 973 CA CYS A 73 5.080 -5.673 -5.791 1.00 0.00 C ATOM 974 C CYS A 73 3.896 -6.486 -5.311 1.00 0.00 C ATOM 975 O CYS A 73 3.993 -7.699 -5.110 1.00 0.00 O ATOM 976 CB CYS A 73 5.772 -6.253 -7.043 1.00 0.00 C ATOM 977 SG CYS A 73 4.854 -6.077 -8.608 1.00 0.00 S ATOM 0 H CYS A 73 6.105 -6.551 -4.230 1.00 0.00 H new ATOM 0 HA CYS A 73 4.744 -4.682 -6.097 1.00 0.00 H new ATOM 0 HB2 CYS A 73 6.742 -5.769 -7.156 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.962 -7.313 -6.872 1.00 0.00 H new ATOM 982 N CYS A 74 2.823 -5.783 -4.985 1.00 0.00 N ATOM 983 CA CYS A 74 1.674 -6.419 -4.378 1.00 0.00 C ATOM 984 C CYS A 74 0.651 -6.997 -5.346 1.00 0.00 C ATOM 985 O CYS A 74 0.482 -6.536 -6.473 1.00 0.00 O ATOM 986 CB CYS A 74 1.026 -5.442 -3.411 1.00 0.00 C ATOM 987 SG CYS A 74 0.229 -6.245 -1.989 1.00 0.00 S ATOM 0 H CYS A 74 2.728 -4.778 -5.131 1.00 0.00 H new ATOM 0 HA CYS A 74 2.054 -7.297 -3.855 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.783 -4.747 -3.048 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.283 -4.852 -3.947 1.00 0.00 H new ATOM 992 N SER A 75 -0.031 -8.028 -4.842 1.00 0.00 N ATOM 993 CA SER A 75 -1.060 -8.748 -5.559 1.00 0.00 C ATOM 994 C SER A 75 -2.382 -8.677 -4.788 1.00 0.00 C ATOM 995 O SER A 75 -2.450 -8.047 -3.732 1.00 0.00 O ATOM 996 CB SER A 75 -0.639 -10.206 -5.763 1.00 0.00 C ATOM 997 OG SER A 75 0.746 -10.302 -6.051 1.00 0.00 O ATOM 0 H SER A 75 0.129 -8.386 -3.900 1.00 0.00 H new ATOM 0 HA SER A 75 -1.200 -8.287 -6.537 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.868 -10.783 -4.867 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.214 -10.643 -6.579 1.00 0.00 H new ATOM 0 HG SER A 75 0.875 -10.360 -7.021 1.00 0.00 H new ATOM 1003 N PRO A 76 -3.455 -9.307 -5.300 1.00 0.00 N ATOM 1004 CA PRO A 76 -4.768 -9.287 -4.645 1.00 0.00 C ATOM 1005 C PRO A 76 -4.821 -10.174 -3.401 1.00 0.00 C ATOM 1006 O PRO A 76 -5.758 -10.082 -2.607 1.00 0.00 O ATOM 1007 CB PRO A 76 -5.720 -9.846 -5.716 1.00 0.00 C ATOM 1008 CG PRO A 76 -4.922 -9.900 -6.978 1.00 0.00 C ATOM 1009 CD PRO A 76 -3.494 -10.065 -6.554 1.00 0.00 C ATOM 0 HA PRO A 76 -5.021 -8.284 -4.300 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -6.082 -10.836 -5.439 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.595 -9.207 -5.833 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.241 -10.731 -7.607 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.053 -8.989 -7.562 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.232 -11.112 -6.405 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.801 -9.665 -7.294 1.00 0.00 H new ATOM 1017 N ASP A 77 -3.817 -11.029 -3.232 1.00 0.00 N ATOM 1018 CA ASP A 77 -3.763 -11.924 -2.078 1.00 0.00 C ATOM 1019 C ASP A 77 -2.769 -11.414 -1.037 1.00 0.00 C ATOM 1020 O ASP A 77 -2.903 -11.693 0.155 1.00 0.00 O ATOM 1021 CB ASP A 77 -3.367 -13.333 -2.524 1.00 0.00 C ATOM 1022 CG ASP A 77 -4.498 -14.331 -2.366 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -5.211 -14.263 -1.342 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -4.671 -15.180 -3.265 1.00 0.00 O ATOM 0 H ASP A 77 -3.032 -11.122 -3.876 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.754 -11.953 -1.625 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.054 -13.306 -3.568 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.508 -13.667 -1.942 1.00 0.00 H new ATOM 1029 N GLY A 78 -1.772 -10.669 -1.500 1.00 0.00 N ATOM 1030 CA GLY A 78 -0.765 -10.131 -0.618 1.00 0.00 C ATOM 1031 C GLY A 78 0.426 -9.595 -1.382 1.00 0.00 C ATOM 1032 O GLY A 78 0.521 -9.783 -2.596 1.00 0.00 O ATOM 0 H GLY A 78 -1.647 -10.428 -2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.199 -9.333 -0.016 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.434 -10.907 0.072 1.00 0.00 H new ATOM 1036 N CYS A 79 1.335 -8.914 -0.691 1.00 0.00 N ATOM 1037 CA CYS A 79 2.502 -8.365 -1.351 1.00 0.00 C ATOM 1038 C CYS A 79 3.693 -9.311 -1.287 1.00 0.00 C ATOM 1039 O CYS A 79 3.712 -10.267 -0.511 1.00 0.00 O ATOM 1040 CB CYS A 79 2.899 -7.024 -0.741 1.00 0.00 C ATOM 1041 SG CYS A 79 1.520 -5.864 -0.475 1.00 0.00 S ATOM 0 H CYS A 79 1.283 -8.734 0.312 1.00 0.00 H new ATOM 0 HA CYS A 79 2.226 -8.224 -2.396 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.390 -7.207 0.215 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.634 -6.549 -1.391 1.00 0.00 H new ATOM 1046 N GLU A 80 4.695 -9.008 -2.105 1.00 0.00 N ATOM 1047 CA GLU A 80 5.917 -9.782 -2.163 1.00 0.00 C ATOM 1048 C GLU A 80 7.074 -8.884 -2.596 1.00 0.00 C ATOM 1049 O GLU A 80 6.896 -8.007 -3.442 1.00 0.00 O ATOM 1050 CB GLU A 80 5.762 -10.966 -3.118 1.00 0.00 C ATOM 1051 CG GLU A 80 5.611 -10.564 -4.577 1.00 0.00 C ATOM 1052 CD GLU A 80 6.532 -11.344 -5.493 1.00 0.00 C ATOM 1053 OE1 GLU A 80 7.733 -11.006 -5.555 1.00 0.00 O ATOM 1054 OE2 GLU A 80 6.054 -12.294 -6.148 1.00 0.00 O ATOM 0 H GLU A 80 4.677 -8.215 -2.746 1.00 0.00 H new ATOM 0 HA GLU A 80 6.132 -10.180 -1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.631 -11.617 -3.018 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.891 -11.549 -2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.578 -10.719 -4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.818 -9.499 -4.680 1.00 0.00 H new ATOM 1061 N GLU A 81 8.251 -9.082 -2.004 1.00 0.00 N ATOM 1062 CA GLU A 81 9.400 -8.266 -2.330 1.00 0.00 C ATOM 1063 C GLU A 81 9.764 -8.405 -3.798 1.00 0.00 C ATOM 1064 O GLU A 81 10.097 -9.492 -4.266 1.00 0.00 O ATOM 1065 CB GLU A 81 10.582 -8.639 -1.440 1.00 0.00 C ATOM 1066 CG GLU A 81 10.749 -10.123 -1.223 1.00 0.00 C ATOM 1067 CD GLU A 81 10.918 -10.488 0.241 1.00 0.00 C ATOM 1068 OE1 GLU A 81 12.061 -10.427 0.739 1.00 0.00 O ATOM 1069 OE2 GLU A 81 9.906 -10.832 0.888 1.00 0.00 O ATOM 0 H GLU A 81 8.425 -9.799 -1.300 1.00 0.00 H new ATOM 0 HA GLU A 81 9.145 -7.222 -2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.496 -8.243 -1.884 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.461 -8.153 -0.472 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.880 -10.644 -1.625 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.617 -10.472 -1.782 1.00 0.00 H new ATOM 1076 N ASP A 82 9.692 -7.293 -4.519 1.00 0.00 N ATOM 1077 CA ASP A 82 9.996 -7.282 -5.927 1.00 0.00 C ATOM 1078 C ASP A 82 11.414 -6.764 -6.193 1.00 0.00 C ATOM 1079 O ASP A 82 11.709 -5.581 -6.029 1.00 0.00 O ATOM 1080 CB ASP A 82 8.959 -6.449 -6.687 1.00 0.00 C ATOM 1081 CG ASP A 82 8.872 -5.030 -6.193 1.00 0.00 C ATOM 1082 OD1 ASP A 82 9.717 -4.645 -5.374 1.00 0.00 O ATOM 1083 OD2 ASP A 82 7.971 -4.293 -6.645 1.00 0.00 O ATOM 0 H ASP A 82 9.423 -6.385 -4.140 1.00 0.00 H new ATOM 0 HA ASP A 82 9.952 -8.309 -6.289 1.00 0.00 H new ATOM 0 HB2 ASP A 82 9.211 -6.444 -7.748 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.981 -6.922 -6.593 1.00 0.00 H new ATOM 1088 N PRO A 83 12.308 -7.674 -6.610 1.00 0.00 N ATOM 1089 CA PRO A 83 13.695 -7.368 -6.925 1.00 0.00 C ATOM 1090 C PRO A 83 13.764 -6.295 -7.978 1.00 0.00 C ATOM 1091 O PRO A 83 14.786 -5.653 -8.202 1.00 0.00 O ATOM 1092 CB PRO A 83 14.239 -8.700 -7.451 1.00 0.00 C ATOM 1093 CG PRO A 83 13.362 -9.715 -6.825 1.00 0.00 C ATOM 1094 CD PRO A 83 12.010 -9.075 -6.804 1.00 0.00 C ATOM 0 HA PRO A 83 14.263 -6.991 -6.075 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.193 -8.749 -8.539 1.00 0.00 H new ATOM 0 HB3 PRO A 83 15.282 -8.845 -7.169 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.354 -10.642 -7.399 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.699 -9.966 -5.819 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.470 -9.246 -7.735 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.391 -9.470 -5.999 1.00 0.00 H new ATOM 1102 N ALA A 84 12.637 -6.105 -8.604 1.00 0.00 N ATOM 1103 CA ALA A 84 12.474 -5.116 -9.606 1.00 0.00 C ATOM 1104 C ALA A 84 12.462 -3.736 -8.980 1.00 0.00 C ATOM 1105 O ALA A 84 12.775 -2.736 -9.627 1.00 0.00 O ATOM 1106 CB ALA A 84 11.165 -5.390 -10.306 1.00 0.00 C ATOM 0 H ALA A 84 11.794 -6.650 -8.421 1.00 0.00 H new ATOM 0 HA ALA A 84 13.299 -5.150 -10.318 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.007 -4.645 -11.086 1.00 0.00 H new ATOM 0 HB2 ALA A 84 11.193 -6.384 -10.753 1.00 0.00 H new ATOM 0 HB3 ALA A 84 10.349 -5.339 -9.585 1.00 0.00 H new ATOM 1112 N CYS A 85 12.014 -3.687 -7.729 1.00 0.00 N ATOM 1113 CA CYS A 85 11.868 -2.431 -7.036 1.00 0.00 C ATOM 1114 C CYS A 85 12.865 -2.121 -5.890 1.00 0.00 C ATOM 1115 O CYS A 85 13.086 -0.933 -5.652 1.00 0.00 O ATOM 1116 CB CYS A 85 10.433 -2.283 -6.539 1.00 0.00 C ATOM 1117 SG CYS A 85 9.401 -1.148 -7.518 1.00 0.00 S ATOM 0 H CYS A 85 11.749 -4.507 -7.183 1.00 0.00 H new ATOM 0 HA CYS A 85 12.122 -1.688 -7.792 1.00 0.00 H new ATOM 0 HB2 CYS A 85 9.962 -3.266 -6.533 1.00 0.00 H new ATOM 0 HB3 CYS A 85 10.455 -1.933 -5.507 1.00 0.00 H new ATOM 1122 N ASP A 86 13.460 -3.094 -5.132 1.00 0.00 N ATOM 1123 CA ASP A 86 14.358 -2.622 -4.024 1.00 0.00 C ATOM 1124 C ASP A 86 15.003 -3.606 -3.003 1.00 0.00 C ATOM 1125 O ASP A 86 16.005 -3.228 -2.394 1.00 0.00 O ATOM 1126 CB ASP A 86 13.534 -1.704 -3.131 1.00 0.00 C ATOM 1127 CG ASP A 86 14.381 -0.720 -2.349 1.00 0.00 C ATOM 1128 OD1 ASP A 86 15.039 -1.146 -1.376 1.00 0.00 O ATOM 1129 OD2 ASP A 86 14.387 0.476 -2.708 1.00 0.00 O ATOM 0 H ASP A 86 13.355 -4.102 -5.244 1.00 0.00 H new ATOM 0 HA ASP A 86 15.192 -2.227 -4.604 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.821 -1.153 -3.745 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.954 -2.309 -2.434 1.00 0.00 H new ATOM 1134 N PRO A 87 14.423 -4.769 -2.651 1.00 0.00 N ATOM 1135 CA PRO A 87 14.933 -5.610 -1.569 1.00 0.00 C ATOM 1136 C PRO A 87 15.597 -6.856 -2.063 1.00 0.00 C ATOM 1137 O PRO A 87 16.821 -6.989 -2.063 1.00 0.00 O ATOM 1138 CB PRO A 87 13.628 -5.961 -0.836 1.00 0.00 C ATOM 1139 CG PRO A 87 12.535 -5.540 -1.775 1.00 0.00 C ATOM 1140 CD PRO A 87 13.192 -5.344 -3.110 1.00 0.00 C ATOM 0 HA PRO A 87 15.697 -5.117 -0.968 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.572 -7.027 -0.617 1.00 0.00 H new ATOM 0 HB3 PRO A 87 13.556 -5.435 0.116 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.755 -6.299 -1.831 1.00 0.00 H new ATOM 0 HG3 PRO A 87 12.060 -4.620 -1.434 1.00 0.00 H new ATOM 0 HD2 PRO A 87 13.336 -6.278 -3.653 1.00 0.00 H new ATOM 0 HD3 PRO A 87 12.631 -4.678 -3.765 1.00 0.00 H new ATOM 1148 N GLU A 88 14.759 -7.738 -2.551 1.00 0.00 N ATOM 1149 CA GLU A 88 15.216 -8.964 -3.142 1.00 0.00 C ATOM 1150 C GLU A 88 15.918 -8.570 -4.436 1.00 0.00 C ATOM 1151 O GLU A 88 16.552 -9.373 -5.122 1.00 0.00 O ATOM 1152 CB GLU A 88 14.024 -9.893 -3.410 1.00 0.00 C ATOM 1153 CG GLU A 88 14.418 -11.340 -3.653 1.00 0.00 C ATOM 1154 CD GLU A 88 13.725 -12.299 -2.704 1.00 0.00 C ATOM 1155 OE1 GLU A 88 14.045 -12.273 -1.497 1.00 0.00 O ATOM 1156 OE2 GLU A 88 12.863 -13.074 -3.168 1.00 0.00 O ATOM 0 H GLU A 88 13.745 -7.623 -2.548 1.00 0.00 H new ATOM 0 HA GLU A 88 15.896 -9.508 -2.486 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.343 -9.849 -2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.476 -9.525 -4.277 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.175 -11.612 -4.680 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.498 -11.442 -3.543 1.00 0.00 H new ATOM 1163 N ALA A 89 15.781 -7.275 -4.707 1.00 0.00 N ATOM 1164 CA ALA A 89 16.343 -6.588 -5.836 1.00 0.00 C ATOM 1165 C ALA A 89 17.842 -6.409 -5.695 1.00 0.00 C ATOM 1166 O ALA A 89 18.521 -7.151 -4.985 1.00 0.00 O ATOM 1167 CB ALA A 89 15.684 -5.219 -5.888 1.00 0.00 C ATOM 0 H ALA A 89 15.242 -6.654 -4.103 1.00 0.00 H new ATOM 0 HA ALA A 89 16.167 -7.167 -6.742 1.00 0.00 H new ATOM 0 HB1 ALA A 89 16.080 -4.656 -6.733 1.00 0.00 H new ATOM 0 HB2 ALA A 89 14.607 -5.338 -6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 89 15.892 -4.680 -4.964 1.00 0.00 H new ATOM 1173 N ALA A 90 18.321 -5.364 -6.341 1.00 0.00 N ATOM 1174 CA ALA A 90 19.701 -4.968 -6.281 1.00 0.00 C ATOM 1175 C ALA A 90 19.997 -4.556 -4.858 1.00 0.00 C ATOM 1176 O ALA A 90 19.099 -4.592 -4.016 1.00 0.00 O ATOM 1177 CB ALA A 90 19.921 -3.779 -7.195 1.00 0.00 C ATOM 0 H ALA A 90 17.747 -4.761 -6.930 1.00 0.00 H new ATOM 0 HA ALA A 90 20.350 -5.787 -6.592 1.00 0.00 H new ATOM 0 HB1 ALA A 90 20.967 -3.476 -7.152 1.00 0.00 H new ATOM 0 HB2 ALA A 90 19.665 -4.054 -8.218 1.00 0.00 H new ATOM 0 HB3 ALA A 90 19.290 -2.951 -6.873 1.00 0.00 H new ATOM 1183 N PHE A 91 21.213 -4.122 -4.575 1.00 0.00 N ATOM 1184 CA PHE A 91 21.509 -3.668 -3.229 1.00 0.00 C ATOM 1185 C PHE A 91 20.843 -2.308 -3.057 1.00 0.00 C ATOM 1186 O PHE A 91 21.499 -1.286 -2.857 1.00 0.00 O ATOM 1187 CB PHE A 91 23.019 -3.561 -3.015 1.00 0.00 C ATOM 1188 CG PHE A 91 23.740 -4.862 -3.220 1.00 0.00 C ATOM 1189 CD1 PHE A 91 24.089 -5.282 -4.493 1.00 0.00 C ATOM 1190 CD2 PHE A 91 24.061 -5.667 -2.140 1.00 0.00 C ATOM 1191 CE1 PHE A 91 24.745 -6.482 -4.685 1.00 0.00 C ATOM 1192 CE2 PHE A 91 24.718 -6.868 -2.326 1.00 0.00 C ATOM 1193 CZ PHE A 91 25.060 -7.276 -3.600 1.00 0.00 C ATOM 0 H PHE A 91 21.989 -4.075 -5.236 1.00 0.00 H new ATOM 0 HA PHE A 91 21.131 -4.377 -2.492 1.00 0.00 H new ATOM 0 HB2 PHE A 91 23.425 -2.817 -3.700 1.00 0.00 H new ATOM 0 HB3 PHE A 91 23.211 -3.202 -2.004 1.00 0.00 H new ATOM 0 HD1 PHE A 91 23.845 -4.664 -5.345 1.00 0.00 H new ATOM 0 HD2 PHE A 91 23.795 -5.353 -1.142 1.00 0.00 H new ATOM 0 HE1 PHE A 91 25.011 -6.799 -5.682 1.00 0.00 H new ATOM 0 HE2 PHE A 91 24.964 -7.487 -1.476 1.00 0.00 H new ATOM 0 HZ PHE A 91 25.573 -8.215 -3.748 1.00 0.00 H new ATOM 1203 N SER A 92 19.513 -2.329 -3.168 1.00 0.00 N ATOM 1204 CA SER A 92 18.689 -1.139 -3.068 1.00 0.00 C ATOM 1205 C SER A 92 18.093 -1.001 -1.670 1.00 0.00 C ATOM 1206 O SER A 92 17.957 0.146 -1.196 1.00 0.00 O ATOM 1207 CB SER A 92 17.581 -1.195 -4.137 1.00 0.00 C ATOM 1208 OG SER A 92 16.496 -0.357 -3.790 1.00 0.00 O ATOM 1209 OXT SER A 92 17.768 -2.042 -1.062 1.00 0.00 O ATOM 0 H SER A 92 18.980 -3.183 -3.331 1.00 0.00 H new ATOM 0 HA SER A 92 19.310 -0.261 -3.244 1.00 0.00 H new ATOM 0 HB2 SER A 92 17.986 -0.890 -5.102 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.231 -2.221 -4.249 1.00 0.00 H new ATOM 0 HG SER A 92 15.970 -0.155 -4.591 1.00 0.00 H new TER 1215 SER A 92