USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 438 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 23 GLN : amide:sc= -0.114 K(o=-0.11,f=1.5) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 41 THR OG1 : rot 126:sc= 1.31 USER MOD Set 2.2: A 43 SER OG : rot 82:sc= 0.867 USER MOD Set 3.1: A 15 THR OG1 : rot 140:sc= 1.83 USER MOD Set 3.2: A 17 SER OG : rot 73:sc= 0.96 USER MOD Single : A 1 THR N :NH3+ -147:sc= 0.0102 (180deg=-0.232) USER MOD Single : A 1 THR OG1 : rot 28:sc= 0.349 USER MOD Single : A 2 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0413) USER MOD Single : A 3 SER OG : rot 13:sc= 0.635 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.344 X(o=0.34,f=-0.094) USER MOD Single : A 25 THR OG1 : rot 160:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.293 K(o=-0.29,f=-2.2) USER MOD Single : A 33 SER OG : rot -43:sc= 0.532 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0.111 X(o=0.11,f=-0.11) USER MOD Single : A 54 THR OG1 : rot 91:sc= 1.1 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0763 USER MOD Single : A 62 SER OG : rot -40:sc= 0.753 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -3.551 17.407 12.705 1.00 0.00 N ATOM 2 CA THR A 1 -2.961 17.082 11.395 1.00 0.00 C ATOM 3 C THR A 1 -3.974 16.352 10.512 1.00 0.00 C ATOM 4 O THR A 1 -4.437 15.275 10.885 1.00 0.00 O ATOM 5 CB THR A 1 -1.691 16.239 11.569 1.00 0.00 C ATOM 6 OG1 THR A 1 -1.985 15.081 12.326 1.00 0.00 O ATOM 7 CG2 THR A 1 -0.580 17.022 12.276 1.00 0.00 C ATOM 0 H1 THR A 1 -3.153 18.303 13.052 1.00 0.00 H new ATOM 0 H2 THR A 1 -4.582 17.501 12.608 1.00 0.00 H new ATOM 0 H3 THR A 1 -3.335 16.647 13.381 1.00 0.00 H new ATOM 0 HA THR A 1 -2.689 18.015 10.902 1.00 0.00 H new ATOM 0 HB THR A 1 -1.341 15.966 10.573 1.00 0.00 H new ATOM 0 HG1 THR A 1 -2.926 14.839 12.201 1.00 0.00 H new ATOM 0 HG21 THR A 1 0.302 16.389 12.380 1.00 0.00 H new ATOM 0 HG22 THR A 1 -0.326 17.905 11.689 1.00 0.00 H new ATOM 0 HG23 THR A 1 -0.924 17.330 13.264 1.00 0.00 H new ATOM 17 N LYS A 2 -4.320 16.937 9.358 1.00 0.00 N ATOM 18 CA LYS A 2 -5.191 16.329 8.358 1.00 0.00 C ATOM 19 C LYS A 2 -4.633 16.618 6.965 1.00 0.00 C ATOM 20 O LYS A 2 -4.064 17.684 6.736 1.00 0.00 O ATOM 21 CB LYS A 2 -6.622 16.869 8.480 1.00 0.00 C ATOM 22 CG LYS A 2 -7.299 16.426 9.782 1.00 0.00 C ATOM 23 CD LYS A 2 -8.775 16.842 9.774 1.00 0.00 C ATOM 24 CE LYS A 2 -9.532 16.258 10.973 1.00 0.00 C ATOM 25 NZ LYS A 2 -9.749 14.807 10.833 1.00 0.00 N ATOM 0 H LYS A 2 -3.992 17.866 9.093 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.224 15.252 8.523 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.603 17.958 8.435 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.212 16.525 7.630 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -7.218 15.345 9.894 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -6.791 16.874 10.636 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -8.847 17.929 9.792 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.243 16.506 8.849 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -8.971 16.455 11.887 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -10.494 16.761 11.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -10.391 14.478 11.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.170 14.607 9.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -8.839 14.310 10.915 1.00 0.00 H new ATOM 39 N SER A 3 -4.788 15.655 6.048 1.00 0.00 N ATOM 40 CA SER A 3 -4.331 15.725 4.666 1.00 0.00 C ATOM 41 C SER A 3 -5.109 14.703 3.834 1.00 0.00 C ATOM 42 O SER A 3 -5.719 13.784 4.383 1.00 0.00 O ATOM 43 CB SER A 3 -2.823 15.437 4.591 1.00 0.00 C ATOM 44 OG SER A 3 -2.072 16.510 5.121 1.00 0.00 O ATOM 0 H SER A 3 -5.254 14.774 6.263 1.00 0.00 H new ATOM 0 HA SER A 3 -4.507 16.726 4.272 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.596 14.524 5.142 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.534 15.264 3.554 1.00 0.00 H new ATOM 0 HG SER A 3 -2.668 17.118 5.606 1.00 0.00 H new ATOM 50 N THR A 4 -5.077 14.864 2.506 1.00 0.00 N ATOM 51 CA THR A 4 -5.685 13.937 1.559 1.00 0.00 C ATOM 52 C THR A 4 -4.877 12.635 1.482 1.00 0.00 C ATOM 53 O THR A 4 -3.760 12.555 1.994 1.00 0.00 O ATOM 54 CB THR A 4 -5.783 14.610 0.179 1.00 0.00 C ATOM 55 OG1 THR A 4 -4.503 15.024 -0.252 1.00 0.00 O ATOM 56 CG2 THR A 4 -6.715 15.826 0.210 1.00 0.00 C ATOM 0 H THR A 4 -4.619 15.657 2.057 1.00 0.00 H new ATOM 0 HA THR A 4 -6.689 13.681 1.898 1.00 0.00 H new ATOM 0 HB THR A 4 -6.192 13.875 -0.514 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.576 15.449 -1.132 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.760 16.276 -0.782 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.714 15.511 0.511 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.335 16.558 0.923 1.00 0.00 H new ATOM 64 N THR A 5 -5.448 11.619 0.822 1.00 0.00 N ATOM 65 CA THR A 5 -4.846 10.302 0.651 1.00 0.00 C ATOM 66 C THR A 5 -3.765 10.331 -0.440 1.00 0.00 C ATOM 67 O THR A 5 -3.904 9.727 -1.504 1.00 0.00 O ATOM 68 CB THR A 5 -5.944 9.237 0.449 1.00 0.00 C ATOM 69 OG1 THR A 5 -5.365 7.954 0.320 1.00 0.00 O ATOM 70 CG2 THR A 5 -6.891 9.490 -0.735 1.00 0.00 C ATOM 0 H THR A 5 -6.365 11.698 0.383 1.00 0.00 H new ATOM 0 HA THR A 5 -4.318 10.011 1.559 1.00 0.00 H new ATOM 0 HB THR A 5 -6.563 9.302 1.344 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.072 7.287 0.194 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.625 8.687 -0.792 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.404 10.441 -0.594 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.316 9.522 -1.660 1.00 0.00 H new ATOM 78 N THR A 6 -2.660 11.027 -0.151 1.00 0.00 N ATOM 79 CA THR A 6 -1.484 11.096 -1.004 1.00 0.00 C ATOM 80 C THR A 6 -0.814 9.724 -1.108 1.00 0.00 C ATOM 81 O THR A 6 -1.121 8.815 -0.337 1.00 0.00 O ATOM 82 CB THR A 6 -0.507 12.147 -0.456 1.00 0.00 C ATOM 83 OG1 THR A 6 -0.100 11.820 0.858 1.00 0.00 O ATOM 84 CG2 THR A 6 -1.109 13.556 -0.481 1.00 0.00 C ATOM 0 H THR A 6 -2.563 11.570 0.707 1.00 0.00 H new ATOM 0 HA THR A 6 -1.788 11.394 -2.007 1.00 0.00 H new ATOM 0 HB THR A 6 0.365 12.142 -1.110 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.523 12.501 1.187 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.385 14.268 -0.085 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.360 13.826 -1.507 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.011 13.577 0.131 1.00 0.00 H new ATOM 92 N ALA A 7 0.099 9.582 -2.078 1.00 0.00 N ATOM 93 CA ALA A 7 0.842 8.355 -2.313 1.00 0.00 C ATOM 94 C ALA A 7 1.832 8.105 -1.176 1.00 0.00 C ATOM 95 O ALA A 7 2.994 8.499 -1.250 1.00 0.00 O ATOM 96 CB ALA A 7 1.526 8.414 -3.674 1.00 0.00 C ATOM 0 H ALA A 7 0.339 10.332 -2.726 1.00 0.00 H new ATOM 0 HA ALA A 7 0.154 7.510 -2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.081 7.491 -3.843 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.774 8.533 -4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.213 9.260 -3.700 1.00 0.00 H new ATOM 102 N CYS A 8 1.333 7.455 -0.123 1.00 0.00 N ATOM 103 CA CYS A 8 2.047 7.155 1.106 1.00 0.00 C ATOM 104 C CYS A 8 2.095 5.650 1.322 1.00 0.00 C ATOM 105 O CYS A 8 1.761 4.858 0.443 1.00 0.00 O ATOM 106 CB CYS A 8 1.323 7.835 2.274 1.00 0.00 C ATOM 107 SG CYS A 8 -0.283 7.098 2.686 1.00 0.00 S ATOM 0 H CYS A 8 0.373 7.110 -0.110 1.00 0.00 H new ATOM 0 HA CYS A 8 3.070 7.527 1.043 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.964 7.797 3.155 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.175 8.887 2.032 1.00 0.00 H new ATOM 112 N CYS A 9 2.504 5.282 2.532 1.00 0.00 N ATOM 113 CA CYS A 9 2.546 3.923 3.026 1.00 0.00 C ATOM 114 C CYS A 9 2.660 3.996 4.544 1.00 0.00 C ATOM 115 O CYS A 9 2.720 5.087 5.105 1.00 0.00 O ATOM 116 CB CYS A 9 3.771 3.220 2.438 1.00 0.00 C ATOM 117 SG CYS A 9 3.631 1.426 2.329 1.00 0.00 S ATOM 0 H CYS A 9 2.829 5.960 3.222 1.00 0.00 H new ATOM 0 HA CYS A 9 1.653 3.366 2.741 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.957 3.617 1.440 1.00 0.00 H new ATOM 0 HB3 CYS A 9 4.641 3.466 3.046 1.00 0.00 H new ATOM 122 N ASP A 10 2.738 2.846 5.215 1.00 0.00 N ATOM 123 CA ASP A 10 3.168 2.758 6.591 1.00 0.00 C ATOM 124 C ASP A 10 4.047 1.514 6.735 1.00 0.00 C ATOM 125 O ASP A 10 5.199 1.624 7.148 1.00 0.00 O ATOM 126 CB ASP A 10 1.938 2.705 7.492 1.00 0.00 C ATOM 127 CG ASP A 10 1.189 4.036 7.524 1.00 0.00 C ATOM 128 OD1 ASP A 10 0.085 4.118 6.989 1.00 0.00 O ATOM 129 OD2 ASP A 10 1.823 5.069 8.151 1.00 0.00 O ATOM 0 H ASP A 10 2.499 1.944 4.803 1.00 0.00 H new ATOM 0 HA ASP A 10 3.754 3.628 6.887 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.267 1.921 7.142 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.242 2.437 8.504 1.00 0.00 H new ATOM 135 N PHE A 11 3.514 0.339 6.373 1.00 0.00 N ATOM 136 CA PHE A 11 4.247 -0.918 6.376 1.00 0.00 C ATOM 137 C PHE A 11 4.831 -1.147 4.986 1.00 0.00 C ATOM 138 O PHE A 11 4.077 -1.389 4.045 1.00 0.00 O ATOM 139 CB PHE A 11 3.313 -2.080 6.732 1.00 0.00 C ATOM 140 CG PHE A 11 2.575 -2.026 8.058 1.00 0.00 C ATOM 141 CD1 PHE A 11 2.961 -1.146 9.088 1.00 0.00 C ATOM 142 CD2 PHE A 11 1.483 -2.893 8.259 1.00 0.00 C ATOM 143 CE1 PHE A 11 2.219 -1.087 10.279 1.00 0.00 C ATOM 144 CE2 PHE A 11 0.742 -2.836 9.451 1.00 0.00 C ATOM 145 CZ PHE A 11 1.103 -1.923 10.457 1.00 0.00 C ATOM 0 H PHE A 11 2.546 0.242 6.066 1.00 0.00 H new ATOM 0 HA PHE A 11 5.043 -0.870 7.119 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.569 -2.164 5.940 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.901 -2.997 6.715 1.00 0.00 H new ATOM 0 HD1 PHE A 11 3.829 -0.516 8.962 1.00 0.00 H new ATOM 0 HD2 PHE A 11 1.214 -3.605 7.493 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.506 -0.398 11.060 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.104 -3.492 9.594 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.523 -1.864 11.366 1.00 0.00 H new ATOM 155 N CYS A 12 6.165 -1.097 4.885 1.00 0.00 N ATOM 156 CA CYS A 12 6.934 -1.282 3.659 1.00 0.00 C ATOM 157 C CYS A 12 7.773 -2.568 3.715 1.00 0.00 C ATOM 158 O CYS A 12 9.000 -2.482 3.748 1.00 0.00 O ATOM 159 CB CYS A 12 7.868 -0.077 3.452 1.00 0.00 C ATOM 160 SG CYS A 12 7.120 1.489 2.955 1.00 0.00 S ATOM 0 H CYS A 12 6.759 -0.918 5.694 1.00 0.00 H new ATOM 0 HA CYS A 12 6.233 -1.364 2.828 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.410 0.091 4.383 1.00 0.00 H new ATOM 0 HB3 CYS A 12 8.606 -0.350 2.698 1.00 0.00 H new ATOM 165 N PRO A 13 7.175 -3.771 3.701 1.00 0.00 N ATOM 166 CA PRO A 13 7.938 -4.999 3.570 1.00 0.00 C ATOM 167 C PRO A 13 8.306 -5.228 2.103 1.00 0.00 C ATOM 168 O PRO A 13 7.750 -4.605 1.192 1.00 0.00 O ATOM 169 CB PRO A 13 7.019 -6.101 4.088 1.00 0.00 C ATOM 170 CG PRO A 13 5.653 -5.596 3.641 1.00 0.00 C ATOM 171 CD PRO A 13 5.759 -4.076 3.804 1.00 0.00 C ATOM 0 HA PRO A 13 8.874 -4.971 4.128 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.259 -7.072 3.655 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.081 -6.211 5.171 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.441 -5.875 2.609 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.852 -6.010 4.254 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.189 -3.558 3.032 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.358 -3.756 4.766 1.00 0.00 H new ATOM 179 N CYS A 14 9.257 -6.142 1.891 1.00 0.00 N ATOM 180 CA CYS A 14 9.771 -6.469 0.576 1.00 0.00 C ATOM 181 C CYS A 14 10.371 -7.866 0.586 1.00 0.00 C ATOM 182 O CYS A 14 10.663 -8.418 1.647 1.00 0.00 O ATOM 183 CB CYS A 14 10.824 -5.427 0.184 1.00 0.00 C ATOM 184 SG CYS A 14 11.389 -5.440 -1.532 1.00 0.00 S ATOM 0 H CYS A 14 9.691 -6.677 2.643 1.00 0.00 H new ATOM 0 HA CYS A 14 8.963 -6.454 -0.155 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.419 -4.438 0.400 1.00 0.00 H new ATOM 0 HB3 CYS A 14 11.693 -5.564 0.828 1.00 0.00 H new ATOM 189 N THR A 15 10.569 -8.424 -0.609 1.00 0.00 N ATOM 190 CA THR A 15 11.296 -9.675 -0.778 1.00 0.00 C ATOM 191 C THR A 15 12.796 -9.444 -0.554 1.00 0.00 C ATOM 192 O THR A 15 13.246 -8.309 -0.398 1.00 0.00 O ATOM 193 CB THR A 15 11.054 -10.246 -2.183 1.00 0.00 C ATOM 194 OG1 THR A 15 11.579 -9.369 -3.151 1.00 0.00 O ATOM 195 CG2 THR A 15 9.580 -10.525 -2.483 1.00 0.00 C ATOM 0 H THR A 15 10.230 -8.020 -1.482 1.00 0.00 H new ATOM 0 HA THR A 15 10.934 -10.393 -0.042 1.00 0.00 H new ATOM 0 HB THR A 15 11.566 -11.207 -2.220 1.00 0.00 H new ATOM 0 HG1 THR A 15 12.016 -9.887 -3.859 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.484 -10.926 -3.492 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.193 -11.249 -1.766 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.011 -9.598 -2.405 1.00 0.00 H new ATOM 203 N ARG A 16 13.571 -10.534 -0.598 1.00 0.00 N ATOM 204 CA ARG A 16 15.031 -10.506 -0.615 1.00 0.00 C ATOM 205 C ARG A 16 15.585 -10.856 -2.000 1.00 0.00 C ATOM 206 O ARG A 16 16.796 -10.996 -2.163 1.00 0.00 O ATOM 207 CB ARG A 16 15.576 -11.476 0.436 1.00 0.00 C ATOM 208 CG ARG A 16 15.162 -12.936 0.191 1.00 0.00 C ATOM 209 CD ARG A 16 15.837 -13.879 1.193 1.00 0.00 C ATOM 210 NE ARG A 16 17.293 -13.932 0.993 1.00 0.00 N ATOM 211 CZ ARG A 16 18.142 -14.675 1.723 1.00 0.00 C ATOM 212 NH1 ARG A 16 17.691 -15.460 2.711 1.00 0.00 N ATOM 213 NH2 ARG A 16 19.456 -14.631 1.461 1.00 0.00 N ATOM 0 H ARG A 16 13.188 -11.479 -0.623 1.00 0.00 H new ATOM 0 HA ARG A 16 15.355 -9.493 -0.379 1.00 0.00 H new ATOM 0 HB2 ARG A 16 16.664 -11.412 0.450 1.00 0.00 H new ATOM 0 HB3 ARG A 16 15.226 -11.167 1.421 1.00 0.00 H new ATOM 0 HG2 ARG A 16 14.079 -13.028 0.273 1.00 0.00 H new ATOM 0 HG3 ARG A 16 15.430 -13.227 -0.824 1.00 0.00 H new ATOM 0 HD2 ARG A 16 15.621 -13.547 2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 16 15.419 -14.880 1.090 1.00 0.00 H new ATOM 0 HE ARG A 16 17.688 -13.362 0.245 1.00 0.00 H new ATOM 0 HH11 ARG A 16 16.693 -15.499 2.916 1.00 0.00 H new ATOM 0 HH12 ARG A 16 18.346 -16.019 3.258 1.00 0.00 H new ATOM 0 HH21 ARG A 16 19.807 -14.036 0.711 1.00 0.00 H new ATOM 0 HH22 ARG A 16 20.105 -15.193 2.012 1.00 0.00 H new ATOM 227 N SER A 17 14.700 -11.028 -2.986 1.00 0.00 N ATOM 228 CA SER A 17 15.028 -11.500 -4.315 1.00 0.00 C ATOM 229 C SER A 17 15.575 -10.382 -5.202 1.00 0.00 C ATOM 230 O SER A 17 15.717 -9.234 -4.782 1.00 0.00 O ATOM 231 CB SER A 17 13.777 -12.139 -4.924 1.00 0.00 C ATOM 232 OG SER A 17 12.688 -11.240 -4.913 1.00 0.00 O ATOM 0 H SER A 17 13.706 -10.833 -2.867 1.00 0.00 H new ATOM 0 HA SER A 17 15.823 -12.242 -4.245 1.00 0.00 H new ATOM 0 HB2 SER A 17 13.986 -12.449 -5.948 1.00 0.00 H new ATOM 0 HB3 SER A 17 13.516 -13.038 -4.365 1.00 0.00 H new ATOM 0 HG SER A 17 12.829 -10.548 -5.592 1.00 0.00 H new ATOM 238 N ILE A 18 15.898 -10.772 -6.437 1.00 0.00 N ATOM 239 CA ILE A 18 16.544 -9.963 -7.452 1.00 0.00 C ATOM 240 C ILE A 18 15.770 -10.137 -8.769 1.00 0.00 C ATOM 241 O ILE A 18 15.845 -11.205 -9.374 1.00 0.00 O ATOM 242 CB ILE A 18 18.028 -10.385 -7.530 1.00 0.00 C ATOM 243 CG1 ILE A 18 18.856 -9.517 -8.491 1.00 0.00 C ATOM 244 CG2 ILE A 18 18.258 -11.865 -7.887 1.00 0.00 C ATOM 245 CD1 ILE A 18 19.055 -8.088 -7.979 1.00 0.00 C ATOM 0 H ILE A 18 15.701 -11.717 -6.766 1.00 0.00 H new ATOM 0 HA ILE A 18 16.531 -8.898 -7.219 1.00 0.00 H new ATOM 0 HB ILE A 18 18.373 -10.229 -6.508 1.00 0.00 H new ATOM 0 HG12 ILE A 18 19.830 -9.982 -8.645 1.00 0.00 H new ATOM 0 HG13 ILE A 18 18.361 -9.485 -9.462 1.00 0.00 H new ATOM 0 HG21 ILE A 18 19.328 -12.070 -7.919 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.790 -12.498 -7.133 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.819 -12.077 -8.862 1.00 0.00 H new ATOM 0 HD11 ILE A 18 19.647 -7.523 -8.699 1.00 0.00 H new ATOM 0 HD12 ILE A 18 18.084 -7.609 -7.851 1.00 0.00 H new ATOM 0 HD13 ILE A 18 19.576 -8.114 -7.022 1.00 0.00 H new ATOM 257 N PRO A 19 14.999 -9.135 -9.229 1.00 0.00 N ATOM 258 CA PRO A 19 14.763 -7.846 -8.593 1.00 0.00 C ATOM 259 C PRO A 19 13.906 -7.984 -7.326 1.00 0.00 C ATOM 260 O PRO A 19 13.181 -8.968 -7.171 1.00 0.00 O ATOM 261 CB PRO A 19 14.042 -7.003 -9.647 1.00 0.00 C ATOM 262 CG PRO A 19 13.311 -8.040 -10.498 1.00 0.00 C ATOM 263 CD PRO A 19 14.283 -9.218 -10.491 1.00 0.00 C ATOM 0 HA PRO A 19 15.698 -7.389 -8.269 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.348 -6.298 -9.190 1.00 0.00 H new ATOM 0 HB3 PRO A 19 14.744 -6.419 -10.242 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.345 -8.308 -10.070 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.122 -7.676 -11.508 1.00 0.00 H new ATOM 0 HD2 PRO A 19 13.750 -10.165 -10.576 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.971 -9.162 -11.335 1.00 0.00 H new ATOM 271 N PRO A 20 13.969 -6.995 -6.420 1.00 0.00 N ATOM 272 CA PRO A 20 13.197 -6.968 -5.190 1.00 0.00 C ATOM 273 C PRO A 20 11.757 -6.526 -5.475 1.00 0.00 C ATOM 274 O PRO A 20 11.536 -5.568 -6.215 1.00 0.00 O ATOM 275 CB PRO A 20 13.927 -5.953 -4.307 1.00 0.00 C ATOM 276 CG PRO A 20 14.475 -4.946 -5.317 1.00 0.00 C ATOM 277 CD PRO A 20 14.851 -5.840 -6.497 1.00 0.00 C ATOM 0 HA PRO A 20 13.125 -7.945 -4.712 1.00 0.00 H new ATOM 0 HB2 PRO A 20 13.252 -5.481 -3.593 1.00 0.00 H new ATOM 0 HB3 PRO A 20 14.725 -6.421 -3.730 1.00 0.00 H new ATOM 0 HG2 PRO A 20 13.729 -4.200 -5.593 1.00 0.00 H new ATOM 0 HG3 PRO A 20 15.337 -4.405 -4.926 1.00 0.00 H new ATOM 0 HD2 PRO A 20 14.723 -5.313 -7.443 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.897 -6.143 -6.440 1.00 0.00 H new ATOM 285 N GLN A 21 10.779 -7.216 -4.875 1.00 0.00 N ATOM 286 CA GLN A 21 9.367 -6.901 -4.968 1.00 0.00 C ATOM 287 C GLN A 21 8.967 -6.301 -3.623 1.00 0.00 C ATOM 288 O GLN A 21 8.810 -7.030 -2.643 1.00 0.00 O ATOM 289 CB GLN A 21 8.549 -8.170 -5.254 1.00 0.00 C ATOM 290 CG GLN A 21 9.070 -9.052 -6.390 1.00 0.00 C ATOM 291 CD GLN A 21 9.290 -8.257 -7.668 1.00 0.00 C ATOM 292 OE1 GLN A 21 8.340 -7.896 -8.357 1.00 0.00 O ATOM 293 NE2 GLN A 21 10.552 -7.981 -7.980 1.00 0.00 N ATOM 0 H GLN A 21 10.966 -8.034 -4.295 1.00 0.00 H new ATOM 0 HA GLN A 21 9.174 -6.203 -5.783 1.00 0.00 H new ATOM 0 HB2 GLN A 21 8.509 -8.768 -4.343 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.526 -7.876 -5.487 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.007 -9.519 -6.087 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.360 -9.857 -6.580 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.309 -8.302 -7.376 1.00 0.00 H new ATOM 0 HE22 GLN A 21 10.764 -7.448 -8.823 1.00 0.00 H new ATOM 302 N CYS A 22 8.846 -4.970 -3.578 1.00 0.00 N ATOM 303 CA CYS A 22 8.498 -4.219 -2.383 1.00 0.00 C ATOM 304 C CYS A 22 7.076 -3.693 -2.531 1.00 0.00 C ATOM 305 O CYS A 22 6.649 -3.349 -3.636 1.00 0.00 O ATOM 306 CB CYS A 22 9.487 -3.075 -2.129 1.00 0.00 C ATOM 307 SG CYS A 22 11.264 -3.468 -2.094 1.00 0.00 S ATOM 0 H CYS A 22 8.992 -4.377 -4.395 1.00 0.00 H new ATOM 0 HA CYS A 22 8.554 -4.879 -1.517 1.00 0.00 H new ATOM 0 HB2 CYS A 22 9.328 -2.320 -2.899 1.00 0.00 H new ATOM 0 HB3 CYS A 22 9.228 -2.617 -1.175 1.00 0.00 H new ATOM 312 N GLN A 23 6.339 -3.680 -1.413 1.00 0.00 N ATOM 313 CA GLN A 23 4.912 -3.374 -1.405 1.00 0.00 C ATOM 314 C GLN A 23 4.540 -2.496 -0.213 1.00 0.00 C ATOM 315 O GLN A 23 5.373 -2.220 0.648 1.00 0.00 O ATOM 316 CB GLN A 23 4.109 -4.683 -1.361 1.00 0.00 C ATOM 317 CG GLN A 23 4.345 -5.551 -2.600 1.00 0.00 C ATOM 318 CD GLN A 23 3.308 -6.665 -2.684 1.00 0.00 C ATOM 319 OE1 GLN A 23 2.302 -6.519 -3.371 1.00 0.00 O ATOM 320 NE2 GLN A 23 3.548 -7.779 -1.989 1.00 0.00 N ATOM 0 H GLN A 23 6.721 -3.882 -0.489 1.00 0.00 H new ATOM 0 HA GLN A 23 4.673 -2.823 -2.315 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.384 -5.245 -0.468 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.047 -4.453 -1.278 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.296 -4.934 -3.497 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.346 -5.981 -2.563 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.398 -7.858 -1.430 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.882 -8.551 -2.017 1.00 0.00 H new ATOM 329 N CYS A 24 3.256 -2.118 -0.159 1.00 0.00 N ATOM 330 CA CYS A 24 2.600 -1.592 1.026 1.00 0.00 C ATOM 331 C CYS A 24 1.674 -2.680 1.553 1.00 0.00 C ATOM 332 O CYS A 24 0.931 -3.274 0.774 1.00 0.00 O ATOM 333 CB CYS A 24 1.797 -0.329 0.695 1.00 0.00 C ATOM 334 SG CYS A 24 2.821 1.141 0.467 1.00 0.00 S ATOM 0 H CYS A 24 2.635 -2.175 -0.966 1.00 0.00 H new ATOM 0 HA CYS A 24 3.343 -1.316 1.774 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.220 -0.503 -0.213 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.082 -0.143 1.497 1.00 0.00 H new ATOM 339 N THR A 25 1.733 -2.961 2.859 1.00 0.00 N ATOM 340 CA THR A 25 0.907 -3.995 3.485 1.00 0.00 C ATOM 341 C THR A 25 0.015 -3.442 4.592 1.00 0.00 C ATOM 342 O THR A 25 -0.765 -4.199 5.166 1.00 0.00 O ATOM 343 CB THR A 25 1.789 -5.135 4.000 1.00 0.00 C ATOM 344 OG1 THR A 25 2.761 -4.616 4.884 1.00 0.00 O ATOM 345 CG2 THR A 25 2.447 -5.862 2.823 1.00 0.00 C ATOM 0 H THR A 25 2.353 -2.479 3.509 1.00 0.00 H new ATOM 0 HA THR A 25 0.237 -4.386 2.720 1.00 0.00 H new ATOM 0 HB THR A 25 1.177 -5.856 4.542 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.107 -5.337 5.450 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.073 -6.671 3.199 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.675 -6.272 2.172 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.062 -5.160 2.260 1.00 0.00 H new ATOM 353 N ASP A 26 0.099 -2.142 4.889 1.00 0.00 N ATOM 354 CA ASP A 26 -0.774 -1.498 5.838 1.00 0.00 C ATOM 355 C ASP A 26 -2.202 -1.471 5.310 1.00 0.00 C ATOM 356 O ASP A 26 -2.441 -1.234 4.126 1.00 0.00 O ATOM 357 CB ASP A 26 -0.248 -0.106 6.160 1.00 0.00 C ATOM 358 CG ASP A 26 0.110 0.718 4.925 1.00 0.00 C ATOM 359 OD1 ASP A 26 1.190 0.519 4.372 1.00 0.00 O ATOM 360 OD2 ASP A 26 -0.807 1.647 4.531 1.00 0.00 O ATOM 0 H ASP A 26 0.784 -1.514 4.468 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.790 -2.066 6.768 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.999 0.431 6.739 1.00 0.00 H new ATOM 0 HB3 ASP A 26 0.635 -0.199 6.792 1.00 0.00 H new ATOM 366 N VAL A 27 -3.130 -1.759 6.222 1.00 0.00 N ATOM 367 CA VAL A 27 -4.536 -1.990 5.941 1.00 0.00 C ATOM 368 C VAL A 27 -5.318 -0.830 6.562 1.00 0.00 C ATOM 369 O VAL A 27 -5.195 -0.568 7.758 1.00 0.00 O ATOM 370 CB VAL A 27 -4.955 -3.373 6.476 1.00 0.00 C ATOM 371 CG1 VAL A 27 -6.310 -3.782 5.891 1.00 0.00 C ATOM 372 CG2 VAL A 27 -3.938 -4.462 6.102 1.00 0.00 C ATOM 0 H VAL A 27 -2.908 -1.840 7.214 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.745 -2.012 4.872 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.010 -3.286 7.561 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.593 -4.761 6.278 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.065 -3.048 6.174 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.238 -3.828 4.804 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.270 -5.422 6.498 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.856 -4.526 5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.965 -4.212 6.525 1.00 0.00 H new ATOM 382 N ARG A 28 -6.057 -0.096 5.726 1.00 0.00 N ATOM 383 CA ARG A 28 -6.612 1.219 6.027 1.00 0.00 C ATOM 384 C ARG A 28 -7.908 1.390 5.224 1.00 0.00 C ATOM 385 O ARG A 28 -8.477 0.410 4.742 1.00 0.00 O ATOM 386 CB ARG A 28 -5.534 2.279 5.689 1.00 0.00 C ATOM 387 CG ARG A 28 -4.867 2.866 6.943 1.00 0.00 C ATOM 388 CD ARG A 28 -5.747 3.904 7.654 1.00 0.00 C ATOM 389 NE ARG A 28 -5.964 5.102 6.826 1.00 0.00 N ATOM 390 CZ ARG A 28 -5.187 6.201 6.781 1.00 0.00 C ATOM 391 NH1 ARG A 28 -4.069 6.307 7.515 1.00 0.00 N ATOM 392 NH2 ARG A 28 -5.544 7.213 5.982 1.00 0.00 N ATOM 0 H ARG A 28 -6.292 -0.417 4.787 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.869 1.336 7.080 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.772 1.827 5.055 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.990 3.085 5.114 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.633 2.058 7.637 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.921 3.329 6.663 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.709 3.455 7.902 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.279 4.193 8.595 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.788 5.099 6.224 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.787 5.542 8.128 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.501 7.152 7.460 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.392 7.144 5.420 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.968 8.053 5.935 1.00 0.00 H new ATOM 406 N GLU A 29 -8.369 2.635 5.046 1.00 0.00 N ATOM 407 CA GLU A 29 -9.388 2.963 4.061 1.00 0.00 C ATOM 408 C GLU A 29 -8.793 2.785 2.653 1.00 0.00 C ATOM 409 O GLU A 29 -7.867 1.996 2.464 1.00 0.00 O ATOM 410 CB GLU A 29 -9.898 4.390 4.326 1.00 0.00 C ATOM 411 CG GLU A 29 -11.388 4.531 3.986 1.00 0.00 C ATOM 412 CD GLU A 29 -11.886 5.971 4.108 1.00 0.00 C ATOM 413 OE1 GLU A 29 -11.082 6.902 4.104 1.00 0.00 O ATOM 414 OE2 GLU A 29 -13.236 6.121 4.217 1.00 0.00 O ATOM 0 H GLU A 29 -8.041 3.437 5.584 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.247 2.296 4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.738 4.645 5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.320 5.099 3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.560 4.176 2.970 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.970 3.892 4.650 1.00 0.00 H new ATOM 422 N LYS A 30 -9.309 3.503 1.650 1.00 0.00 N ATOM 423 CA LYS A 30 -8.951 3.257 0.264 1.00 0.00 C ATOM 424 C LYS A 30 -7.451 3.351 -0.002 1.00 0.00 C ATOM 425 O LYS A 30 -6.718 4.094 0.651 1.00 0.00 O ATOM 426 CB LYS A 30 -9.711 4.183 -0.684 1.00 0.00 C ATOM 427 CG LYS A 30 -9.530 5.673 -0.353 1.00 0.00 C ATOM 428 CD LYS A 30 -10.011 6.589 -1.487 1.00 0.00 C ATOM 429 CE LYS A 30 -9.101 6.512 -2.723 1.00 0.00 C ATOM 430 NZ LYS A 30 -9.452 7.532 -3.726 1.00 0.00 N ATOM 0 H LYS A 30 -9.979 4.261 1.781 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.245 2.226 0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.375 4.001 -1.705 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.772 3.936 -0.649 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.080 5.909 0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.477 5.872 -0.151 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.027 6.312 -1.769 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.048 7.618 -1.129 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.063 6.644 -2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.179 5.521 -3.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.816 7.448 -4.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.435 7.391 -4.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.354 8.479 -3.307 1.00 0.00 H new ATOM 444 N CYS A 31 -7.031 2.580 -1.002 1.00 0.00 N ATOM 445 CA CYS A 31 -5.672 2.532 -1.499 1.00 0.00 C ATOM 446 C CYS A 31 -5.262 3.875 -2.098 1.00 0.00 C ATOM 447 O CYS A 31 -6.091 4.608 -2.638 1.00 0.00 O ATOM 448 CB CYS A 31 -5.499 1.363 -2.472 1.00 0.00 C ATOM 449 SG CYS A 31 -6.844 0.975 -3.628 1.00 0.00 S ATOM 0 H CYS A 31 -7.658 1.950 -1.503 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.994 2.350 -0.665 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.603 1.556 -3.062 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.305 0.468 -1.881 1.00 0.00 H new ATOM 454 N HIS A 32 -3.978 4.210 -1.932 1.00 0.00 N ATOM 455 CA HIS A 32 -3.473 5.559 -2.140 1.00 0.00 C ATOM 456 C HIS A 32 -3.421 5.971 -3.605 1.00 0.00 C ATOM 457 O HIS A 32 -3.683 5.177 -4.507 1.00 0.00 O ATOM 458 CB HIS A 32 -2.118 5.761 -1.457 1.00 0.00 C ATOM 459 CG HIS A 32 -0.987 4.852 -1.868 1.00 0.00 C ATOM 460 ND1 HIS A 32 -0.214 5.042 -3.003 1.00 0.00 N ATOM 461 CD2 HIS A 32 -0.495 3.758 -1.212 1.00 0.00 C ATOM 462 CE1 HIS A 32 0.751 4.107 -2.963 1.00 0.00 C ATOM 463 NE2 HIS A 32 0.613 3.305 -1.898 1.00 0.00 N ATOM 0 H HIS A 32 -3.260 3.544 -1.648 1.00 0.00 H new ATOM 0 HA HIS A 32 -4.197 6.223 -1.668 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -1.803 6.790 -1.633 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -2.264 5.651 -0.382 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -0.903 3.323 -0.312 1.00 0.00 H new ATOM 0 HE1 HIS A 32 1.538 4.014 -3.697 1.00 0.00 H new ATOM 0 HE2 HIS A 32 1.209 2.517 -1.645 1.00 0.00 H new ATOM 472 N SER A 33 -3.040 7.233 -3.821 1.00 0.00 N ATOM 473 CA SER A 33 -3.007 7.881 -5.125 1.00 0.00 C ATOM 474 C SER A 33 -1.825 7.424 -5.999 1.00 0.00 C ATOM 475 O SER A 33 -1.395 8.169 -6.879 1.00 0.00 O ATOM 476 CB SER A 33 -3.019 9.399 -4.913 1.00 0.00 C ATOM 477 OG SER A 33 -3.249 10.078 -6.129 1.00 0.00 O ATOM 0 H SER A 33 -2.737 7.847 -3.065 1.00 0.00 H new ATOM 0 HA SER A 33 -3.893 7.582 -5.685 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.793 9.663 -4.193 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.067 9.718 -4.489 1.00 0.00 H new ATOM 0 HG SER A 33 -2.712 9.668 -6.839 1.00 0.00 H new ATOM 483 N ALA A 34 -1.309 6.204 -5.789 1.00 0.00 N ATOM 484 CA ALA A 34 -0.314 5.588 -6.658 1.00 0.00 C ATOM 485 C ALA A 34 -0.362 4.070 -6.500 1.00 0.00 C ATOM 486 O ALA A 34 0.614 3.459 -6.070 1.00 0.00 O ATOM 487 CB ALA A 34 1.084 6.137 -6.353 1.00 0.00 C ATOM 0 H ALA A 34 -1.579 5.616 -5.000 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.543 5.834 -7.695 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.812 5.665 -7.012 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.095 7.215 -6.514 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.341 5.922 -5.316 1.00 0.00 H new ATOM 493 N CYS A 35 -1.504 3.470 -6.854 1.00 0.00 N ATOM 494 CA CYS A 35 -1.736 2.038 -6.747 1.00 0.00 C ATOM 495 C CYS A 35 -2.210 1.490 -8.087 1.00 0.00 C ATOM 496 O CYS A 35 -3.108 2.054 -8.708 1.00 0.00 O ATOM 497 CB CYS A 35 -2.730 1.751 -5.619 1.00 0.00 C ATOM 498 SG CYS A 35 -2.104 2.299 -4.013 1.00 0.00 S ATOM 0 H CYS A 35 -2.303 3.981 -7.229 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.805 1.530 -6.496 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.674 2.252 -5.831 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.938 0.682 -5.582 1.00 0.00 H new ATOM 503 N LYS A 36 -1.573 0.399 -8.528 1.00 0.00 N ATOM 504 CA LYS A 36 -1.820 -0.268 -9.796 1.00 0.00 C ATOM 505 C LYS A 36 -2.588 -1.552 -9.499 1.00 0.00 C ATOM 506 O LYS A 36 -3.594 -1.834 -10.146 1.00 0.00 O ATOM 507 CB LYS A 36 -0.483 -0.577 -10.485 1.00 0.00 C ATOM 508 CG LYS A 36 0.141 0.622 -11.217 1.00 0.00 C ATOM 509 CD LYS A 36 0.474 1.795 -10.286 1.00 0.00 C ATOM 510 CE LYS A 36 1.360 2.835 -10.976 1.00 0.00 C ATOM 511 NZ LYS A 36 1.680 3.944 -10.059 1.00 0.00 N ATOM 0 H LYS A 36 -0.842 -0.057 -7.982 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.402 0.365 -10.466 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.223 -0.939 -9.738 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.634 -1.386 -11.200 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.051 0.297 -11.721 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.547 0.965 -11.990 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.450 2.268 -9.953 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.979 1.420 -9.396 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.281 2.364 -11.319 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.852 3.223 -11.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.282 4.637 -10.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.800 4.405 -9.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.185 3.573 -9.229 1.00 0.00 H new ATOM 525 N SER A 37 -2.132 -2.291 -8.481 1.00 0.00 N ATOM 526 CA SER A 37 -2.876 -3.378 -7.868 1.00 0.00 C ATOM 527 C SER A 37 -3.343 -2.919 -6.490 1.00 0.00 C ATOM 528 O SER A 37 -2.606 -2.251 -5.766 1.00 0.00 O ATOM 529 CB SER A 37 -1.999 -4.627 -7.754 1.00 0.00 C ATOM 530 OG SER A 37 -2.778 -5.740 -7.367 1.00 0.00 O ATOM 0 H SER A 37 -1.216 -2.141 -8.058 1.00 0.00 H new ATOM 0 HA SER A 37 -3.738 -3.636 -8.483 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.515 -4.828 -8.710 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.207 -4.458 -7.025 1.00 0.00 H new ATOM 0 HG SER A 37 -2.205 -6.532 -7.299 1.00 0.00 H new ATOM 536 N CYS A 38 -4.579 -3.282 -6.143 1.00 0.00 N ATOM 537 CA CYS A 38 -5.228 -2.966 -4.887 1.00 0.00 C ATOM 538 C CYS A 38 -6.315 -4.007 -4.646 1.00 0.00 C ATOM 539 O CYS A 38 -6.908 -4.511 -5.599 1.00 0.00 O ATOM 540 CB CYS A 38 -5.820 -1.560 -4.982 1.00 0.00 C ATOM 541 SG CYS A 38 -6.891 -1.074 -3.603 1.00 0.00 S ATOM 0 H CYS A 38 -5.175 -3.829 -6.764 1.00 0.00 H new ATOM 0 HA CYS A 38 -4.524 -2.986 -4.055 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.002 -0.844 -5.055 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.391 -1.486 -5.907 1.00 0.00 H new ATOM 546 N LEU A 39 -6.565 -4.334 -3.375 1.00 0.00 N ATOM 547 CA LEU A 39 -7.627 -5.258 -2.999 1.00 0.00 C ATOM 548 C LEU A 39 -8.038 -4.985 -1.555 1.00 0.00 C ATOM 549 O LEU A 39 -7.265 -4.417 -0.782 1.00 0.00 O ATOM 550 CB LEU A 39 -7.164 -6.712 -3.209 1.00 0.00 C ATOM 551 CG LEU A 39 -8.288 -7.763 -3.238 1.00 0.00 C ATOM 552 CD1 LEU A 39 -9.245 -7.557 -4.420 1.00 0.00 C ATOM 553 CD2 LEU A 39 -7.660 -9.158 -3.342 1.00 0.00 C ATOM 0 H LEU A 39 -6.037 -3.965 -2.584 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.501 -5.108 -3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.612 -6.768 -4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.466 -6.972 -2.413 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.867 -7.659 -2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.021 -8.322 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.705 -6.572 -4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.690 -7.630 -5.355 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.448 -9.911 -3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.070 -9.224 -4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.015 -9.332 -2.481 1.00 0.00 H new ATOM 565 N CYS A 40 -9.267 -5.383 -1.207 1.00 0.00 N ATOM 566 CA CYS A 40 -9.829 -5.217 0.121 1.00 0.00 C ATOM 567 C CYS A 40 -10.329 -6.558 0.641 1.00 0.00 C ATOM 568 O CYS A 40 -10.541 -7.496 -0.127 1.00 0.00 O ATOM 569 CB CYS A 40 -10.952 -4.172 0.093 1.00 0.00 C ATOM 570 SG CYS A 40 -10.603 -2.652 -0.843 1.00 0.00 S ATOM 0 H CYS A 40 -9.905 -5.838 -1.860 1.00 0.00 H new ATOM 0 HA CYS A 40 -9.056 -4.857 0.800 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -11.844 -4.637 -0.327 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -11.190 -3.896 1.120 1.00 0.00 H new ATOM 575 N THR A 41 -10.496 -6.645 1.961 1.00 0.00 N ATOM 576 CA THR A 41 -10.880 -7.868 2.641 1.00 0.00 C ATOM 577 C THR A 41 -12.373 -8.133 2.467 1.00 0.00 C ATOM 578 O THR A 41 -13.162 -7.208 2.274 1.00 0.00 O ATOM 579 CB THR A 41 -10.527 -7.767 4.128 1.00 0.00 C ATOM 580 OG1 THR A 41 -11.152 -6.632 4.687 1.00 0.00 O ATOM 581 CG2 THR A 41 -9.015 -7.674 4.336 1.00 0.00 C ATOM 0 H THR A 41 -10.365 -5.853 2.591 1.00 0.00 H new ATOM 0 HA THR A 41 -10.332 -8.701 2.201 1.00 0.00 H new ATOM 0 HB THR A 41 -10.883 -8.670 4.624 1.00 0.00 H new ATOM 0 HG1 THR A 41 -11.677 -6.900 5.470 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.798 -7.604 5.402 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.536 -8.563 3.926 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.632 -6.789 3.828 1.00 0.00 H new ATOM 589 N ARG A 42 -12.751 -9.412 2.574 1.00 0.00 N ATOM 590 CA ARG A 42 -14.137 -9.852 2.565 1.00 0.00 C ATOM 591 C ARG A 42 -14.725 -9.921 3.979 1.00 0.00 C ATOM 592 O ARG A 42 -15.816 -10.461 4.159 1.00 0.00 O ATOM 593 CB ARG A 42 -14.250 -11.186 1.817 1.00 0.00 C ATOM 594 CG ARG A 42 -13.561 -12.356 2.526 1.00 0.00 C ATOM 595 CD ARG A 42 -13.788 -13.650 1.739 1.00 0.00 C ATOM 596 NE ARG A 42 -13.169 -14.799 2.413 1.00 0.00 N ATOM 597 CZ ARG A 42 -13.309 -16.082 2.036 1.00 0.00 C ATOM 598 NH1 ARG A 42 -14.069 -16.411 0.981 1.00 0.00 N ATOM 599 NH2 ARG A 42 -12.682 -17.045 2.724 1.00 0.00 N ATOM 0 H ARG A 42 -12.085 -10.178 2.671 1.00 0.00 H new ATOM 0 HA ARG A 42 -14.736 -9.113 2.033 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -15.304 -11.427 1.681 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.818 -11.071 0.823 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.493 -12.159 2.618 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.954 -12.462 3.537 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.858 -13.826 1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.373 -13.546 0.737 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.588 -14.609 3.230 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.550 -15.683 0.453 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.166 -17.389 0.707 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.103 -16.803 3.528 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.784 -18.021 2.444 1.00 0.00 H new ATOM 613 N SER A 43 -14.019 -9.384 4.984 1.00 0.00 N ATOM 614 CA SER A 43 -14.482 -9.320 6.353 1.00 0.00 C ATOM 615 C SER A 43 -15.574 -8.267 6.514 1.00 0.00 C ATOM 616 O SER A 43 -15.913 -7.544 5.578 1.00 0.00 O ATOM 617 CB SER A 43 -13.295 -9.032 7.280 1.00 0.00 C ATOM 618 OG SER A 43 -12.487 -7.989 6.775 1.00 0.00 O ATOM 0 H SER A 43 -13.093 -8.977 4.852 1.00 0.00 H new ATOM 0 HA SER A 43 -14.918 -10.281 6.625 1.00 0.00 H new ATOM 0 HB2 SER A 43 -13.662 -8.763 8.270 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.695 -9.935 7.397 1.00 0.00 H new ATOM 0 HG SER A 43 -12.879 -7.124 7.018 1.00 0.00 H new ATOM 624 N PHE A 44 -16.105 -8.197 7.736 1.00 0.00 N ATOM 625 CA PHE A 44 -17.068 -7.196 8.162 1.00 0.00 C ATOM 626 C PHE A 44 -16.547 -6.557 9.456 1.00 0.00 C ATOM 627 O PHE A 44 -16.485 -7.247 10.472 1.00 0.00 O ATOM 628 CB PHE A 44 -18.441 -7.843 8.366 1.00 0.00 C ATOM 629 CG PHE A 44 -19.525 -6.823 8.656 1.00 0.00 C ATOM 630 CD1 PHE A 44 -20.168 -6.161 7.594 1.00 0.00 C ATOM 631 CD2 PHE A 44 -19.868 -6.510 9.985 1.00 0.00 C ATOM 632 CE1 PHE A 44 -21.135 -5.177 7.858 1.00 0.00 C ATOM 633 CE2 PHE A 44 -20.830 -5.519 10.249 1.00 0.00 C ATOM 634 CZ PHE A 44 -21.458 -4.847 9.186 1.00 0.00 C ATOM 0 H PHE A 44 -15.865 -8.858 8.475 1.00 0.00 H new ATOM 0 HA PHE A 44 -17.186 -6.423 7.402 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -18.709 -8.409 7.474 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -18.385 -8.554 9.190 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -19.917 -6.410 6.573 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -19.392 -7.031 10.802 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -21.630 -4.674 7.041 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -21.087 -5.274 11.269 1.00 0.00 H new ATOM 0 HZ PHE A 44 -22.188 -4.078 9.389 1.00 0.00 H new ATOM 644 N PRO A 45 -16.157 -5.271 9.449 1.00 0.00 N ATOM 645 CA PRO A 45 -16.144 -4.373 8.303 1.00 0.00 C ATOM 646 C PRO A 45 -15.043 -4.785 7.312 1.00 0.00 C ATOM 647 O PRO A 45 -14.020 -5.327 7.731 1.00 0.00 O ATOM 648 CB PRO A 45 -15.861 -2.986 8.890 1.00 0.00 C ATOM 649 CG PRO A 45 -15.016 -3.296 10.124 1.00 0.00 C ATOM 650 CD PRO A 45 -15.637 -4.598 10.628 1.00 0.00 C ATOM 0 HA PRO A 45 -17.083 -4.394 7.750 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.325 -2.351 8.184 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -16.781 -2.464 9.153 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.962 -3.419 9.874 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.077 -2.502 10.868 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -14.895 -5.215 11.135 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.432 -4.400 11.347 1.00 0.00 H new ATOM 658 N PRO A 46 -15.225 -4.530 6.006 1.00 0.00 N ATOM 659 CA PRO A 46 -14.191 -4.729 5.001 1.00 0.00 C ATOM 660 C PRO A 46 -13.144 -3.616 5.131 1.00 0.00 C ATOM 661 O PRO A 46 -13.447 -2.537 5.642 1.00 0.00 O ATOM 662 CB PRO A 46 -14.932 -4.664 3.665 1.00 0.00 C ATOM 663 CG PRO A 46 -16.045 -3.657 3.951 1.00 0.00 C ATOM 664 CD PRO A 46 -16.421 -3.963 5.402 1.00 0.00 C ATOM 0 HA PRO A 46 -13.656 -5.673 5.104 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.282 -4.331 2.856 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.330 -5.636 3.374 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.701 -2.630 3.831 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.892 -3.790 3.278 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.733 -3.059 5.925 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -17.255 -4.664 5.451 1.00 0.00 H new ATOM 672 N GLN A 47 -11.908 -3.884 4.695 1.00 0.00 N ATOM 673 CA GLN A 47 -10.780 -2.982 4.894 1.00 0.00 C ATOM 674 C GLN A 47 -9.789 -3.142 3.740 1.00 0.00 C ATOM 675 O GLN A 47 -9.544 -4.261 3.297 1.00 0.00 O ATOM 676 CB GLN A 47 -10.137 -3.291 6.256 1.00 0.00 C ATOM 677 CG GLN A 47 -9.422 -2.092 6.877 1.00 0.00 C ATOM 678 CD GLN A 47 -10.417 -1.051 7.371 1.00 0.00 C ATOM 679 OE1 GLN A 47 -10.931 -1.154 8.482 1.00 0.00 O ATOM 680 NE2 GLN A 47 -10.699 -0.049 6.541 1.00 0.00 N ATOM 0 H GLN A 47 -11.666 -4.738 4.192 1.00 0.00 H new ATOM 0 HA GLN A 47 -11.109 -1.943 4.900 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.908 -3.640 6.943 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.424 -4.107 6.136 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.800 -2.427 7.707 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.756 -1.642 6.141 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.249 -0.002 5.627 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.365 0.672 6.819 1.00 0.00 H new ATOM 689 N CYS A 48 -9.252 -2.025 3.231 1.00 0.00 N ATOM 690 CA CYS A 48 -8.570 -1.971 1.945 1.00 0.00 C ATOM 691 C CYS A 48 -7.061 -1.802 2.090 1.00 0.00 C ATOM 692 O CYS A 48 -6.574 -1.285 3.095 1.00 0.00 O ATOM 693 CB CYS A 48 -9.165 -0.837 1.112 1.00 0.00 C ATOM 694 SG CYS A 48 -10.844 -1.123 0.503 1.00 0.00 S ATOM 0 H CYS A 48 -9.283 -1.126 3.712 1.00 0.00 H new ATOM 0 HA CYS A 48 -8.724 -2.924 1.440 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -9.164 0.072 1.713 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -8.513 -0.655 0.258 1.00 0.00 H new ATOM 699 N ARG A 49 -6.329 -2.257 1.065 1.00 0.00 N ATOM 700 CA ARG A 49 -4.875 -2.253 1.028 1.00 0.00 C ATOM 701 C ARG A 49 -4.401 -2.168 -0.423 1.00 0.00 C ATOM 702 O ARG A 49 -5.048 -2.672 -1.340 1.00 0.00 O ATOM 703 CB ARG A 49 -4.365 -3.504 1.755 1.00 0.00 C ATOM 704 CG ARG A 49 -2.845 -3.728 1.774 1.00 0.00 C ATOM 705 CD ARG A 49 -2.307 -4.556 0.597 1.00 0.00 C ATOM 706 NE ARG A 49 -2.907 -5.898 0.523 1.00 0.00 N ATOM 707 CZ ARG A 49 -3.829 -6.309 -0.367 1.00 0.00 C ATOM 708 NH1 ARG A 49 -4.373 -5.461 -1.250 1.00 0.00 N ATOM 709 NH2 ARG A 49 -4.216 -7.591 -0.369 1.00 0.00 N ATOM 0 H ARG A 49 -6.749 -2.646 0.221 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.467 -1.382 1.542 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.714 -3.462 2.787 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.830 -4.376 1.296 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.348 -2.758 1.776 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.576 -4.226 2.705 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.501 -4.024 -0.334 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.225 -4.651 0.690 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.594 -6.582 1.212 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.090 -4.481 -1.257 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.070 -5.795 -1.915 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.813 -8.247 0.300 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.914 -7.912 -1.040 1.00 0.00 H new ATOM 723 N CYS A 50 -3.251 -1.518 -0.607 1.00 0.00 N ATOM 724 CA CYS A 50 -2.626 -1.230 -1.894 1.00 0.00 C ATOM 725 C CYS A 50 -1.521 -2.251 -2.154 1.00 0.00 C ATOM 726 O CYS A 50 -0.575 -2.327 -1.375 1.00 0.00 O ATOM 727 CB CYS A 50 -2.034 0.182 -1.840 1.00 0.00 C ATOM 728 SG CYS A 50 -1.059 0.696 -3.281 1.00 0.00 S ATOM 0 H CYS A 50 -2.705 -1.162 0.178 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.360 -1.290 -2.698 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.851 0.891 -1.708 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.402 0.255 -0.955 1.00 0.00 H new ATOM 733 N TYR A 51 -1.641 -3.033 -3.232 1.00 0.00 N ATOM 734 CA TYR A 51 -0.773 -4.173 -3.513 1.00 0.00 C ATOM 735 C TYR A 51 0.194 -3.879 -4.668 1.00 0.00 C ATOM 736 O TYR A 51 0.633 -4.798 -5.358 1.00 0.00 O ATOM 737 CB TYR A 51 -1.655 -5.394 -3.819 1.00 0.00 C ATOM 738 CG TYR A 51 -0.966 -6.729 -3.612 1.00 0.00 C ATOM 739 CD1 TYR A 51 -0.600 -7.135 -2.314 1.00 0.00 C ATOM 740 CD2 TYR A 51 -0.674 -7.559 -4.711 1.00 0.00 C ATOM 741 CE1 TYR A 51 0.095 -8.341 -2.121 1.00 0.00 C ATOM 742 CE2 TYR A 51 0.027 -8.762 -4.518 1.00 0.00 C ATOM 743 CZ TYR A 51 0.424 -9.146 -3.226 1.00 0.00 C ATOM 744 OH TYR A 51 1.131 -10.300 -3.048 1.00 0.00 O ATOM 0 H TYR A 51 -2.357 -2.886 -3.943 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.154 -4.378 -2.640 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.542 -5.354 -3.187 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.997 -5.331 -4.852 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.854 -6.518 -1.465 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.989 -7.271 -5.703 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.376 -8.649 -1.125 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.261 -9.392 -5.364 1.00 0.00 H new ATOM 0 HH TYR A 51 1.271 -10.735 -3.915 1.00 0.00 H new ATOM 754 N ASP A 52 0.527 -2.601 -4.890 1.00 0.00 N ATOM 755 CA ASP A 52 1.422 -2.177 -5.957 1.00 0.00 C ATOM 756 C ASP A 52 2.815 -2.783 -5.758 1.00 0.00 C ATOM 757 O ASP A 52 3.315 -2.833 -4.637 1.00 0.00 O ATOM 758 CB ASP A 52 1.465 -0.644 -5.989 1.00 0.00 C ATOM 759 CG ASP A 52 2.312 -0.066 -7.125 1.00 0.00 C ATOM 760 OD1 ASP A 52 2.813 1.047 -6.990 1.00 0.00 O ATOM 761 OD2 ASP A 52 2.440 -0.830 -8.248 1.00 0.00 O ATOM 0 H ASP A 52 0.175 -1.829 -4.324 1.00 0.00 H new ATOM 0 HA ASP A 52 1.054 -2.534 -6.919 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.447 -0.265 -6.080 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.856 -0.282 -5.038 1.00 0.00 H new ATOM 767 N ILE A 53 3.426 -3.232 -6.860 1.00 0.00 N ATOM 768 CA ILE A 53 4.707 -3.922 -6.889 1.00 0.00 C ATOM 769 C ILE A 53 5.732 -2.924 -7.420 1.00 0.00 C ATOM 770 O ILE A 53 5.667 -2.540 -8.587 1.00 0.00 O ATOM 771 CB ILE A 53 4.607 -5.154 -7.814 1.00 0.00 C ATOM 772 CG1 ILE A 53 3.563 -6.184 -7.344 1.00 0.00 C ATOM 773 CG2 ILE A 53 5.976 -5.824 -8.001 1.00 0.00 C ATOM 774 CD1 ILE A 53 3.999 -6.992 -6.120 1.00 0.00 C ATOM 0 H ILE A 53 3.020 -3.117 -7.789 1.00 0.00 H new ATOM 0 HA ILE A 53 4.999 -4.274 -5.900 1.00 0.00 H new ATOM 0 HB ILE A 53 4.264 -4.776 -8.777 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.633 -5.665 -7.112 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.349 -6.870 -8.163 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.872 -6.688 -8.657 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.672 -5.112 -8.446 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.358 -6.148 -7.033 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.212 -7.696 -5.849 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.912 -7.540 -6.352 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.184 -6.316 -5.285 1.00 0.00 H new ATOM 786 N THR A 54 6.660 -2.493 -6.558 1.00 0.00 N ATOM 787 CA THR A 54 7.709 -1.543 -6.905 1.00 0.00 C ATOM 788 C THR A 54 9.032 -1.985 -6.284 1.00 0.00 C ATOM 789 O THR A 54 9.049 -2.770 -5.342 1.00 0.00 O ATOM 790 CB THR A 54 7.326 -0.131 -6.431 1.00 0.00 C ATOM 791 OG1 THR A 54 6.871 -0.154 -5.093 1.00 0.00 O ATOM 792 CG2 THR A 54 6.224 0.474 -7.305 1.00 0.00 C ATOM 0 H THR A 54 6.699 -2.802 -5.587 1.00 0.00 H new ATOM 0 HA THR A 54 7.825 -1.517 -7.988 1.00 0.00 H new ATOM 0 HB THR A 54 8.225 0.481 -6.508 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.629 -0.017 -4.487 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.978 1.472 -6.942 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.572 0.539 -8.336 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.337 -0.157 -7.260 1.00 0.00 H new ATOM 800 N ASP A 55 10.145 -1.463 -6.808 1.00 0.00 N ATOM 801 CA ASP A 55 11.469 -1.669 -6.236 1.00 0.00 C ATOM 802 C ASP A 55 11.675 -0.837 -4.964 1.00 0.00 C ATOM 803 O ASP A 55 12.557 -1.150 -4.166 1.00 0.00 O ATOM 804 CB ASP A 55 12.529 -1.314 -7.282 1.00 0.00 C ATOM 805 CG ASP A 55 12.509 -2.273 -8.469 1.00 0.00 C ATOM 806 OD1 ASP A 55 12.257 -1.841 -9.592 1.00 0.00 O ATOM 807 OD2 ASP A 55 12.784 -3.578 -8.188 1.00 0.00 O ATOM 0 H ASP A 55 10.147 -0.882 -7.647 1.00 0.00 H new ATOM 0 HA ASP A 55 11.563 -2.718 -5.954 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.362 -0.297 -7.636 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.515 -1.332 -6.818 1.00 0.00 H new ATOM 813 N PHE A 56 10.876 0.223 -4.792 1.00 0.00 N ATOM 814 CA PHE A 56 10.925 1.158 -3.677 1.00 0.00 C ATOM 815 C PHE A 56 9.635 1.068 -2.863 1.00 0.00 C ATOM 816 O PHE A 56 8.787 0.212 -3.109 1.00 0.00 O ATOM 817 CB PHE A 56 11.135 2.577 -4.232 1.00 0.00 C ATOM 818 CG PHE A 56 10.137 2.976 -5.305 1.00 0.00 C ATOM 819 CD1 PHE A 56 8.890 3.528 -4.951 1.00 0.00 C ATOM 820 CD2 PHE A 56 10.450 2.773 -6.663 1.00 0.00 C ATOM 821 CE1 PHE A 56 7.945 3.828 -5.946 1.00 0.00 C ATOM 822 CE2 PHE A 56 9.507 3.084 -7.658 1.00 0.00 C ATOM 823 CZ PHE A 56 8.251 3.602 -7.299 1.00 0.00 C ATOM 0 H PHE A 56 10.144 0.458 -5.463 1.00 0.00 H new ATOM 0 HA PHE A 56 11.753 0.910 -3.013 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.073 3.290 -3.410 1.00 0.00 H new ATOM 0 HB3 PHE A 56 12.142 2.650 -4.642 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.660 3.721 -3.913 1.00 0.00 H new ATOM 0 HD2 PHE A 56 11.416 2.378 -6.940 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.982 4.233 -5.671 1.00 0.00 H new ATOM 0 HE2 PHE A 56 9.748 2.925 -8.699 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.521 3.826 -8.063 1.00 0.00 H new ATOM 833 N CYS A 57 9.490 1.985 -1.903 1.00 0.00 N ATOM 834 CA CYS A 57 8.269 2.188 -1.139 1.00 0.00 C ATOM 835 C CYS A 57 8.122 3.674 -0.819 1.00 0.00 C ATOM 836 O CYS A 57 9.112 4.405 -0.794 1.00 0.00 O ATOM 837 CB CYS A 57 8.308 1.346 0.137 1.00 0.00 C ATOM 838 SG CYS A 57 6.710 1.179 0.969 1.00 0.00 S ATOM 0 H CYS A 57 10.241 2.620 -1.633 1.00 0.00 H new ATOM 0 HA CYS A 57 7.405 1.870 -1.722 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.682 0.352 -0.109 1.00 0.00 H new ATOM 0 HB3 CYS A 57 9.021 1.792 0.831 1.00 0.00 H new ATOM 843 N TYR A 58 6.884 4.120 -0.590 1.00 0.00 N ATOM 844 CA TYR A 58 6.559 5.496 -0.263 1.00 0.00 C ATOM 845 C TYR A 58 6.774 5.734 1.236 1.00 0.00 C ATOM 846 O TYR A 58 6.758 4.777 2.010 1.00 0.00 O ATOM 847 CB TYR A 58 5.104 5.740 -0.677 1.00 0.00 C ATOM 848 CG TYR A 58 4.897 5.760 -2.176 1.00 0.00 C ATOM 849 CD1 TYR A 58 5.184 6.930 -2.904 1.00 0.00 C ATOM 850 CD2 TYR A 58 4.441 4.611 -2.851 1.00 0.00 C ATOM 851 CE1 TYR A 58 5.027 6.950 -4.298 1.00 0.00 C ATOM 852 CE2 TYR A 58 4.292 4.630 -4.249 1.00 0.00 C ATOM 853 CZ TYR A 58 4.588 5.798 -4.973 1.00 0.00 C ATOM 854 OH TYR A 58 4.454 5.810 -6.329 1.00 0.00 O ATOM 0 H TYR A 58 6.065 3.513 -0.630 1.00 0.00 H new ATOM 0 HA TYR A 58 7.205 6.195 -0.795 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.476 4.963 -0.242 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.770 6.690 -0.260 1.00 0.00 H new ATOM 0 HD1 TYR A 58 5.526 7.815 -2.388 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.206 3.716 -2.295 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.244 7.851 -4.853 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.950 3.746 -4.767 1.00 0.00 H new ATOM 0 HH TYR A 58 4.142 4.933 -6.635 1.00 0.00 H new ATOM 864 N PRO A 59 6.984 6.991 1.665 1.00 0.00 N ATOM 865 CA PRO A 59 7.226 7.324 3.063 1.00 0.00 C ATOM 866 C PRO A 59 5.955 7.168 3.904 1.00 0.00 C ATOM 867 O PRO A 59 4.880 6.863 3.386 1.00 0.00 O ATOM 868 CB PRO A 59 7.736 8.769 3.050 1.00 0.00 C ATOM 869 CG PRO A 59 7.068 9.360 1.811 1.00 0.00 C ATOM 870 CD PRO A 59 7.065 8.184 0.836 1.00 0.00 C ATOM 0 HA PRO A 59 7.952 6.653 3.522 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.452 9.305 3.956 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.823 8.812 2.982 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.058 9.711 2.024 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.625 10.210 1.418 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.219 8.244 0.151 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.969 8.178 0.226 1.00 0.00 H new ATOM 878 N SER A 60 6.090 7.375 5.219 1.00 0.00 N ATOM 879 CA SER A 60 5.013 7.232 6.174 1.00 0.00 C ATOM 880 C SER A 60 3.886 8.230 5.923 1.00 0.00 C ATOM 881 O SER A 60 4.126 9.388 5.583 1.00 0.00 O ATOM 882 CB SER A 60 5.552 7.366 7.595 1.00 0.00 C ATOM 883 OG SER A 60 6.604 8.309 7.656 1.00 0.00 O ATOM 0 H SER A 60 6.974 7.652 5.646 1.00 0.00 H new ATOM 0 HA SER A 60 4.587 6.237 6.048 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.748 7.671 8.265 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.908 6.397 7.945 1.00 0.00 H new ATOM 0 HG SER A 60 6.930 8.377 8.578 1.00 0.00 H new ATOM 889 N CYS A 61 2.658 7.746 6.119 1.00 0.00 N ATOM 890 CA CYS A 61 1.429 8.508 5.930 1.00 0.00 C ATOM 891 C CYS A 61 1.114 9.367 7.159 1.00 0.00 C ATOM 892 O CYS A 61 1.923 9.475 8.080 1.00 0.00 O ATOM 893 CB CYS A 61 0.271 7.542 5.618 1.00 0.00 C ATOM 894 SG CYS A 61 -0.877 8.136 4.347 1.00 0.00 S ATOM 0 H CYS A 61 2.490 6.787 6.422 1.00 0.00 H new ATOM 0 HA CYS A 61 1.562 9.188 5.088 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.687 6.587 5.297 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.287 7.354 6.535 1.00 0.00 H new ATOM 899 N SER A 62 -0.091 9.948 7.176 1.00 0.00 N ATOM 900 CA SER A 62 -0.701 10.571 8.339 1.00 0.00 C ATOM 901 C SER A 62 -2.189 10.185 8.379 1.00 0.00 C ATOM 902 O SER A 62 -2.536 9.140 7.776 1.00 0.00 O ATOM 903 CB SER A 62 -0.475 12.091 8.281 1.00 0.00 C ATOM 904 OG SER A 62 -0.960 12.715 9.451 1.00 0.00 O ATOM 905 OXT SER A 62 -2.959 10.931 9.021 1.00 0.00 O ATOM 0 H SER A 62 -0.683 9.995 6.347 1.00 0.00 H new ATOM 0 HA SER A 62 -0.244 10.219 9.264 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.588 12.301 8.166 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.978 12.505 7.407 1.00 0.00 H new ATOM 0 HG SER A 62 -1.810 12.304 9.713 1.00 0.00 H new TER 911 SER A 62