USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 670 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 NoAdj-H: A 31 HIS HD1 : A 31 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 74 HIS HD1 : A 74 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 78 MET CE :methyl -162:sc= -0.112 (180deg=-0.616) USER MOD Set 1.2: A 91 THR OG1 : rot 180:sc= 0.0177 USER MOD Set 2.1: A 89 SER OG : rot 117:sc= 1.45 USER MOD Set 2.2: A 93 HIS : no HE2:sc= -1.33 K(o=0.12,f=-2.7!) USER MOD Single : A 1 GLY N :NH3+ 179:sc= -0.0911 (180deg=-0.0915) USER MOD Single : A 3 MET CE :methyl -164:sc= -0.0635 (180deg=-0.445) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= 1.2 (180deg=0.966) USER MOD Single : A 28 LYS NZ :NH3+ -153:sc= 1.11 (180deg=0.509) USER MOD Single : A 30 TYR OH : rot -141:sc=-0.00978 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= -0.0289 (180deg=-0.222) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.979 F(o=-2.2,f=-0.98) USER MOD Single : A 51 GLN : amide:sc= 0.414 X(o=0.41,f=-0.028) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 140:sc= -0.159 USER MOD Single : A 65 MET CE :methyl 161:sc= -0.217 (180deg=-0.794) USER MOD Single : A 68 SER OG : rot 96:sc= 0.678 USER MOD Single : A 69 SER OG : rot 72:sc= 1.29 USER MOD Single : A 72 LYS NZ :NH3+ -169:sc=-0.00982 (180deg=-0.122) USER MOD Single : A 73 GLN : amide:sc= 0.765 K(o=0.76,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0514 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.998 -7.053 16.089 1.00 6.55 N ATOM 2 CA GLY A 1 9.589 -6.765 15.720 1.00 6.13 C ATOM 3 C GLY A 1 9.297 -5.277 15.659 1.00 5.56 C ATOM 4 O GLY A 1 8.198 -4.871 15.286 1.00 5.62 O ATOM 0 H1 GLY A 1 11.142 -8.082 16.134 1.00 6.55 H new ATOM 0 H2 GLY A 1 11.634 -6.645 15.375 1.00 6.55 H new ATOM 0 H3 GLY A 1 11.206 -6.634 17.018 1.00 6.55 H new ATOM 0 HA2 GLY A 1 9.371 -7.215 14.751 1.00 6.13 H new ATOM 0 HA3 GLY A 1 8.924 -7.233 16.446 1.00 6.13 H new ATOM 10 N ALA A 2 10.277 -4.458 16.025 1.00 5.41 N ATOM 11 CA ALA A 2 10.107 -3.012 16.004 1.00 5.31 C ATOM 12 C ALA A 2 10.406 -2.457 14.619 1.00 4.43 C ATOM 13 O ALA A 2 9.814 -1.469 14.188 1.00 4.77 O ATOM 14 CB ALA A 2 11.000 -2.360 17.046 1.00 6.37 C ATOM 0 H ALA A 2 11.195 -4.771 16.339 1.00 5.41 H new ATOM 0 HA ALA A 2 9.069 -2.783 16.246 1.00 5.31 H new ATOM 0 HB1 ALA A 2 10.862 -1.279 17.018 1.00 6.37 H new ATOM 0 HB2 ALA A 2 10.738 -2.734 18.036 1.00 6.37 H new ATOM 0 HB3 ALA A 2 12.042 -2.598 16.833 1.00 6.37 H new ATOM 20 N MET A 3 11.323 -3.102 13.922 1.00 3.71 N ATOM 21 CA MET A 3 11.687 -2.690 12.576 1.00 3.29 C ATOM 22 C MET A 3 11.188 -3.718 11.576 1.00 2.27 C ATOM 23 O MET A 3 11.976 -4.393 10.911 1.00 2.62 O ATOM 24 CB MET A 3 13.203 -2.521 12.450 1.00 3.97 C ATOM 25 CG MET A 3 13.788 -1.481 13.392 1.00 4.59 C ATOM 26 SD MET A 3 13.058 0.156 13.172 1.00 5.49 S ATOM 27 CE MET A 3 13.503 0.501 11.469 1.00 6.18 C ATOM 0 H MET A 3 11.832 -3.916 14.266 1.00 3.71 H new ATOM 0 HA MET A 3 11.221 -1.727 12.367 1.00 3.29 H new ATOM 0 HB2 MET A 3 13.683 -3.481 12.641 1.00 3.97 H new ATOM 0 HB3 MET A 3 13.444 -2.243 11.424 1.00 3.97 H new ATOM 0 HG2 MET A 3 13.637 -1.805 14.422 1.00 4.59 H new ATOM 0 HG3 MET A 3 14.864 -1.418 13.232 1.00 4.59 H new ATOM 0 HE1 MET A 3 13.381 1.566 11.270 1.00 6.18 H new ATOM 0 HE2 MET A 3 14.542 0.217 11.300 1.00 6.18 H new ATOM 0 HE3 MET A 3 12.857 -0.070 10.801 1.00 6.18 H new ATOM 37 N GLU A 4 9.874 -3.848 11.488 1.00 1.66 N ATOM 38 CA GLU A 4 9.261 -4.834 10.616 1.00 1.27 C ATOM 39 C GLU A 4 9.488 -4.498 9.152 1.00 1.17 C ATOM 40 O GLU A 4 9.176 -3.397 8.694 1.00 1.64 O ATOM 41 CB GLU A 4 7.768 -4.954 10.906 1.00 2.01 C ATOM 42 CG GLU A 4 7.470 -5.652 12.218 1.00 2.51 C ATOM 43 CD GLU A 4 7.975 -7.079 12.239 1.00 3.17 C ATOM 44 OE1 GLU A 4 9.191 -7.283 12.444 1.00 3.76 O ATOM 45 OE2 GLU A 4 7.165 -8.008 12.053 1.00 3.52 O ATOM 0 H GLU A 4 9.210 -3.279 12.013 1.00 1.66 H new ATOM 0 HA GLU A 4 9.736 -5.794 10.818 1.00 1.27 H new ATOM 0 HB2 GLU A 4 7.326 -3.958 10.923 1.00 2.01 H new ATOM 0 HB3 GLU A 4 7.289 -5.501 10.094 1.00 2.01 H new ATOM 0 HG2 GLU A 4 7.928 -5.095 13.035 1.00 2.51 H new ATOM 0 HG3 GLU A 4 6.394 -5.647 12.393 1.00 2.51 H new ATOM 52 N ARG A 5 10.050 -5.451 8.431 1.00 0.96 N ATOM 53 CA ARG A 5 10.290 -5.302 7.011 1.00 0.91 C ATOM 54 C ARG A 5 9.919 -6.589 6.290 1.00 0.81 C ATOM 55 O ARG A 5 10.551 -7.629 6.489 1.00 0.84 O ATOM 56 CB ARG A 5 11.755 -4.945 6.744 1.00 0.98 C ATOM 57 CG ARG A 5 12.111 -4.914 5.266 1.00 1.45 C ATOM 58 CD ARG A 5 13.564 -4.532 5.040 1.00 1.50 C ATOM 59 NE ARG A 5 13.955 -4.718 3.643 1.00 2.16 N ATOM 60 CZ ARG A 5 14.626 -3.824 2.920 1.00 2.56 C ATOM 61 NH1 ARG A 5 15.001 -2.668 3.456 1.00 2.34 N ATOM 62 NH2 ARG A 5 14.931 -4.096 1.657 1.00 3.55 N ATOM 0 H ARG A 5 10.351 -6.347 8.814 1.00 0.96 H new ATOM 0 HA ARG A 5 9.669 -4.489 6.634 1.00 0.91 H new ATOM 0 HB2 ARG A 5 11.969 -3.970 7.182 1.00 0.98 H new ATOM 0 HB3 ARG A 5 12.395 -5.669 7.249 1.00 0.98 H new ATOM 0 HG2 ARG A 5 11.921 -5.893 4.826 1.00 1.45 H new ATOM 0 HG3 ARG A 5 11.465 -4.203 4.752 1.00 1.45 H new ATOM 0 HD2 ARG A 5 13.717 -3.491 5.326 1.00 1.50 H new ATOM 0 HD3 ARG A 5 14.205 -5.137 5.682 1.00 1.50 H new ATOM 0 HE ARG A 5 13.695 -5.595 3.191 1.00 2.16 H new ATOM 0 HH11 ARG A 5 14.775 -2.460 4.429 1.00 2.34 H new ATOM 0 HH12 ARG A 5 15.515 -1.989 2.895 1.00 2.34 H new ATOM 0 HH21 ARG A 5 14.651 -4.986 1.245 1.00 3.55 H new ATOM 0 HH22 ARG A 5 15.445 -3.415 1.098 1.00 3.55 H new ATOM 76 N GLU A 6 8.877 -6.514 5.478 1.00 0.77 N ATOM 77 CA GLU A 6 8.421 -7.653 4.699 1.00 0.72 C ATOM 78 C GLU A 6 9.485 -8.025 3.666 1.00 0.62 C ATOM 79 O GLU A 6 10.264 -7.170 3.239 1.00 0.73 O ATOM 80 CB GLU A 6 7.091 -7.294 4.031 1.00 0.85 C ATOM 81 CG GLU A 6 6.359 -8.463 3.400 1.00 1.17 C ATOM 82 CD GLU A 6 4.885 -8.166 3.210 1.00 1.78 C ATOM 83 OE1 GLU A 6 4.078 -8.502 4.094 1.00 2.22 O ATOM 84 OE2 GLU A 6 4.527 -7.598 2.156 1.00 2.46 O ATOM 0 H GLU A 6 8.326 -5.667 5.341 1.00 0.77 H new ATOM 0 HA GLU A 6 8.264 -8.519 5.342 1.00 0.72 H new ATOM 0 HB2 GLU A 6 6.440 -6.835 4.775 1.00 0.85 H new ATOM 0 HB3 GLU A 6 7.277 -6.543 3.263 1.00 0.85 H new ATOM 0 HG2 GLU A 6 6.810 -8.697 2.436 1.00 1.17 H new ATOM 0 HG3 GLU A 6 6.474 -9.346 4.028 1.00 1.17 H new ATOM 91 N ASP A 7 9.541 -9.292 3.281 1.00 0.54 N ATOM 92 CA ASP A 7 10.573 -9.755 2.356 1.00 0.53 C ATOM 93 C ASP A 7 9.976 -10.144 1.016 1.00 0.46 C ATOM 94 O ASP A 7 10.471 -11.045 0.336 1.00 0.55 O ATOM 95 CB ASP A 7 11.348 -10.939 2.939 1.00 0.71 C ATOM 96 CG ASP A 7 12.099 -10.587 4.207 1.00 1.68 C ATOM 97 OD1 ASP A 7 11.682 -11.036 5.298 1.00 2.36 O ATOM 98 OD2 ASP A 7 13.102 -9.850 4.120 1.00 2.34 O ATOM 0 H ASP A 7 8.891 -10.015 3.590 1.00 0.54 H new ATOM 0 HA ASP A 7 11.263 -8.925 2.204 1.00 0.53 H new ATOM 0 HB2 ASP A 7 10.654 -11.753 3.148 1.00 0.71 H new ATOM 0 HB3 ASP A 7 12.055 -11.306 2.195 1.00 0.71 H new ATOM 103 N GLU A 8 8.914 -9.461 0.642 1.00 0.37 N ATOM 104 CA GLU A 8 8.264 -9.681 -0.634 1.00 0.34 C ATOM 105 C GLU A 8 7.470 -8.441 -0.999 1.00 0.28 C ATOM 106 O GLU A 8 6.987 -7.734 -0.120 1.00 0.29 O ATOM 107 CB GLU A 8 7.346 -10.903 -0.555 1.00 0.42 C ATOM 108 CG GLU A 8 6.726 -11.292 -1.887 1.00 0.46 C ATOM 109 CD GLU A 8 5.809 -12.491 -1.773 1.00 0.60 C ATOM 110 OE1 GLU A 8 6.312 -13.633 -1.777 1.00 0.71 O ATOM 111 OE2 GLU A 8 4.579 -12.299 -1.676 1.00 0.69 O ATOM 0 H GLU A 8 8.477 -8.738 1.213 1.00 0.37 H new ATOM 0 HA GLU A 8 9.013 -9.871 -1.402 1.00 0.34 H new ATOM 0 HB2 GLU A 8 7.915 -11.749 -0.169 1.00 0.42 H new ATOM 0 HB3 GLU A 8 6.549 -10.701 0.161 1.00 0.42 H new ATOM 0 HG2 GLU A 8 6.165 -10.446 -2.283 1.00 0.46 H new ATOM 0 HG3 GLU A 8 7.519 -11.512 -2.602 1.00 0.46 H new ATOM 118 N CYS A 9 7.326 -8.173 -2.286 1.00 0.27 N ATOM 119 CA CYS A 9 6.612 -6.992 -2.717 1.00 0.25 C ATOM 120 C CYS A 9 5.126 -7.268 -2.726 1.00 0.32 C ATOM 121 O CYS A 9 4.649 -8.102 -3.490 1.00 0.38 O ATOM 122 CB CYS A 9 7.039 -6.578 -4.118 1.00 0.26 C ATOM 123 SG CYS A 9 6.098 -5.188 -4.782 1.00 0.30 S ATOM 0 H CYS A 9 7.691 -8.753 -3.041 1.00 0.27 H new ATOM 0 HA CYS A 9 6.843 -6.186 -2.021 1.00 0.25 H new ATOM 0 HB2 CYS A 9 8.097 -6.315 -4.103 1.00 0.26 H new ATOM 0 HB3 CYS A 9 6.932 -7.431 -4.788 1.00 0.26 H new ATOM 128 N PHE A 10 4.403 -6.544 -1.897 1.00 0.33 N ATOM 129 CA PHE A 10 2.961 -6.701 -1.796 1.00 0.41 C ATOM 130 C PHE A 10 2.281 -6.284 -3.101 1.00 0.48 C ATOM 131 O PHE A 10 1.174 -6.721 -3.409 1.00 0.57 O ATOM 132 CB PHE A 10 2.449 -5.863 -0.618 1.00 0.41 C ATOM 133 CG PHE A 10 0.954 -5.771 -0.522 1.00 0.46 C ATOM 134 CD1 PHE A 10 0.302 -4.572 -0.746 1.00 0.50 C ATOM 135 CD2 PHE A 10 0.201 -6.893 -0.214 1.00 0.50 C ATOM 136 CE1 PHE A 10 -1.071 -4.494 -0.666 1.00 0.56 C ATOM 137 CE2 PHE A 10 -1.170 -6.819 -0.132 1.00 0.57 C ATOM 138 CZ PHE A 10 -1.803 -5.585 -0.335 1.00 0.59 C ATOM 0 H PHE A 10 4.792 -5.834 -1.277 1.00 0.33 H new ATOM 0 HA PHE A 10 2.720 -7.749 -1.621 1.00 0.41 H new ATOM 0 HB2 PHE A 10 2.834 -6.289 0.309 1.00 0.41 H new ATOM 0 HB3 PHE A 10 2.858 -4.856 -0.700 1.00 0.41 H new ATOM 0 HD1 PHE A 10 0.875 -3.688 -0.986 1.00 0.50 H new ATOM 0 HD2 PHE A 10 0.696 -7.836 -0.036 1.00 0.50 H new ATOM 0 HE1 PHE A 10 -1.567 -3.557 -0.869 1.00 0.56 H new ATOM 0 HE2 PHE A 10 -1.752 -7.702 0.086 1.00 0.57 H new ATOM 0 HZ PHE A 10 -2.875 -5.504 -0.228 1.00 0.59 H new ATOM 148 N SER A 11 2.966 -5.455 -3.874 1.00 0.46 N ATOM 149 CA SER A 11 2.429 -4.953 -5.127 1.00 0.54 C ATOM 150 C SER A 11 2.532 -5.999 -6.244 1.00 0.57 C ATOM 151 O SER A 11 1.673 -6.059 -7.122 1.00 0.69 O ATOM 152 CB SER A 11 3.167 -3.671 -5.527 1.00 0.54 C ATOM 153 OG SER A 11 2.594 -3.073 -6.675 1.00 0.96 O ATOM 0 H SER A 11 3.902 -5.114 -3.652 1.00 0.46 H new ATOM 0 HA SER A 11 1.371 -4.733 -4.981 1.00 0.54 H new ATOM 0 HB2 SER A 11 3.143 -2.964 -4.698 1.00 0.54 H new ATOM 0 HB3 SER A 11 4.215 -3.900 -5.721 1.00 0.54 H new ATOM 0 HG SER A 11 3.089 -2.258 -6.900 1.00 0.96 H new ATOM 159 N CYS A 12 3.576 -6.823 -6.213 1.00 0.48 N ATOM 160 CA CYS A 12 3.832 -7.744 -7.322 1.00 0.53 C ATOM 161 C CYS A 12 3.754 -9.211 -6.893 1.00 0.55 C ATOM 162 O CYS A 12 3.418 -10.083 -7.696 1.00 0.62 O ATOM 163 CB CYS A 12 5.210 -7.462 -7.926 1.00 0.51 C ATOM 164 SG CYS A 12 5.465 -5.742 -8.419 1.00 0.49 S ATOM 0 H CYS A 12 4.249 -6.874 -5.448 1.00 0.48 H new ATOM 0 HA CYS A 12 3.053 -7.576 -8.065 1.00 0.53 H new ATOM 0 HB2 CYS A 12 5.976 -7.738 -7.201 1.00 0.51 H new ATOM 0 HB3 CYS A 12 5.351 -8.102 -8.797 1.00 0.51 H new ATOM 169 N GLY A 13 4.048 -9.478 -5.627 1.00 0.51 N ATOM 170 CA GLY A 13 4.111 -10.846 -5.153 1.00 0.55 C ATOM 171 C GLY A 13 5.497 -11.433 -5.330 1.00 0.54 C ATOM 172 O GLY A 13 5.718 -12.619 -5.084 1.00 0.61 O ATOM 0 H GLY A 13 4.244 -8.770 -4.919 1.00 0.51 H new ATOM 0 HA2 GLY A 13 3.832 -10.880 -4.100 1.00 0.55 H new ATOM 0 HA3 GLY A 13 3.386 -11.453 -5.695 1.00 0.55 H new ATOM 176 N ASP A 14 6.433 -10.594 -5.757 1.00 0.49 N ATOM 177 CA ASP A 14 7.799 -11.030 -6.020 1.00 0.49 C ATOM 178 C ASP A 14 8.768 -10.348 -5.067 1.00 0.38 C ATOM 179 O ASP A 14 8.492 -9.259 -4.563 1.00 0.32 O ATOM 180 CB ASP A 14 8.193 -10.712 -7.466 1.00 0.55 C ATOM 181 CG ASP A 14 7.396 -11.502 -8.485 1.00 0.72 C ATOM 182 OD1 ASP A 14 6.354 -10.997 -8.952 1.00 0.81 O ATOM 183 OD2 ASP A 14 7.811 -12.628 -8.831 1.00 0.85 O ATOM 0 H ASP A 14 6.269 -9.602 -5.929 1.00 0.49 H new ATOM 0 HA ASP A 14 7.847 -12.108 -5.866 1.00 0.49 H new ATOM 0 HB2 ASP A 14 8.052 -9.647 -7.649 1.00 0.55 H new ATOM 0 HB3 ASP A 14 9.254 -10.921 -7.602 1.00 0.55 H new ATOM 188 N ALA A 15 9.898 -10.991 -4.823 1.00 0.41 N ATOM 189 CA ALA A 15 10.927 -10.444 -3.954 1.00 0.36 C ATOM 190 C ALA A 15 12.172 -10.099 -4.760 1.00 0.40 C ATOM 191 O ALA A 15 12.384 -10.636 -5.849 1.00 0.47 O ATOM 192 CB ALA A 15 11.263 -11.420 -2.843 1.00 0.42 C ATOM 0 H ALA A 15 10.127 -11.902 -5.219 1.00 0.41 H new ATOM 0 HA ALA A 15 10.545 -9.530 -3.499 1.00 0.36 H new ATOM 0 HB1 ALA A 15 12.035 -10.992 -2.204 1.00 0.42 H new ATOM 0 HB2 ALA A 15 10.370 -11.618 -2.250 1.00 0.42 H new ATOM 0 HB3 ALA A 15 11.626 -12.352 -3.275 1.00 0.42 H new ATOM 198 N GLY A 16 12.981 -9.197 -4.232 1.00 0.40 N ATOM 199 CA GLY A 16 14.151 -8.735 -4.944 1.00 0.48 C ATOM 200 C GLY A 16 14.621 -7.393 -4.426 1.00 0.49 C ATOM 201 O GLY A 16 14.862 -7.244 -3.227 1.00 1.04 O ATOM 0 H GLY A 16 12.846 -8.773 -3.314 1.00 0.40 H new ATOM 0 HA2 GLY A 16 14.953 -9.467 -4.842 1.00 0.48 H new ATOM 0 HA3 GLY A 16 13.924 -8.657 -6.007 1.00 0.48 H new ATOM 205 N GLN A 17 14.737 -6.416 -5.315 1.00 0.52 N ATOM 206 CA GLN A 17 15.138 -5.070 -4.925 1.00 0.49 C ATOM 207 C GLN A 17 13.965 -4.342 -4.280 1.00 0.39 C ATOM 208 O GLN A 17 13.199 -3.643 -4.949 1.00 0.41 O ATOM 209 CB GLN A 17 15.660 -4.292 -6.135 1.00 0.61 C ATOM 210 CG GLN A 17 16.113 -2.880 -5.804 1.00 0.67 C ATOM 211 CD GLN A 17 16.697 -2.160 -7.003 1.00 0.93 C ATOM 212 OE1 GLN A 17 17.901 -2.219 -7.250 1.00 1.56 O ATOM 213 NE2 GLN A 17 15.852 -1.477 -7.757 1.00 1.52 N ATOM 0 H GLN A 17 14.559 -6.530 -6.313 1.00 0.52 H new ATOM 0 HA GLN A 17 15.946 -5.142 -4.196 1.00 0.49 H new ATOM 0 HB2 GLN A 17 16.495 -4.838 -6.575 1.00 0.61 H new ATOM 0 HB3 GLN A 17 14.876 -4.245 -6.891 1.00 0.61 H new ATOM 0 HG2 GLN A 17 15.266 -2.311 -5.420 1.00 0.67 H new ATOM 0 HG3 GLN A 17 16.858 -2.918 -5.009 1.00 0.67 H new ATOM 0 HE21 GLN A 17 14.861 -1.453 -7.518 1.00 1.52 H new ATOM 0 HE22 GLN A 17 16.192 -0.975 -8.577 1.00 1.52 H new ATOM 222 N LEU A 18 13.822 -4.527 -2.981 1.00 0.34 N ATOM 223 CA LEU A 18 12.710 -3.955 -2.247 1.00 0.27 C ATOM 224 C LEU A 18 13.148 -2.736 -1.442 1.00 0.31 C ATOM 225 O LEU A 18 14.261 -2.689 -0.914 1.00 0.42 O ATOM 226 CB LEU A 18 12.098 -5.003 -1.315 1.00 0.24 C ATOM 227 CG LEU A 18 11.553 -6.251 -2.013 1.00 0.21 C ATOM 228 CD1 LEU A 18 11.287 -7.357 -1.009 1.00 0.25 C ATOM 229 CD2 LEU A 18 10.287 -5.916 -2.775 1.00 0.17 C ATOM 0 H LEU A 18 14.467 -5.073 -2.410 1.00 0.34 H new ATOM 0 HA LEU A 18 11.960 -3.634 -2.970 1.00 0.27 H new ATOM 0 HB2 LEU A 18 12.854 -5.310 -0.593 1.00 0.24 H new ATOM 0 HB3 LEU A 18 11.289 -4.538 -0.752 1.00 0.24 H new ATOM 0 HG LEU A 18 12.305 -6.604 -2.719 1.00 0.21 H new ATOM 0 HD11 LEU A 18 10.900 -8.234 -1.528 1.00 0.25 H new ATOM 0 HD12 LEU A 18 12.215 -7.617 -0.499 1.00 0.25 H new ATOM 0 HD13 LEU A 18 10.555 -7.016 -0.277 1.00 0.25 H new ATOM 0 HD21 LEU A 18 9.910 -6.813 -3.267 1.00 0.17 H new ATOM 0 HD22 LEU A 18 9.535 -5.538 -2.083 1.00 0.17 H new ATOM 0 HD23 LEU A 18 10.504 -5.155 -3.525 1.00 0.17 H new ATOM 241 N VAL A 19 12.266 -1.755 -1.365 1.00 0.29 N ATOM 242 CA VAL A 19 12.484 -0.569 -0.557 1.00 0.32 C ATOM 243 C VAL A 19 11.451 -0.532 0.571 1.00 0.30 C ATOM 244 O VAL A 19 10.252 -0.704 0.338 1.00 0.27 O ATOM 245 CB VAL A 19 12.423 0.726 -1.410 1.00 0.36 C ATOM 246 CG1 VAL A 19 11.115 0.828 -2.183 1.00 0.34 C ATOM 247 CG2 VAL A 19 12.636 1.959 -0.543 1.00 0.42 C ATOM 0 H VAL A 19 11.376 -1.759 -1.863 1.00 0.29 H new ATOM 0 HA VAL A 19 13.486 -0.617 -0.130 1.00 0.32 H new ATOM 0 HB VAL A 19 13.232 0.675 -2.138 1.00 0.36 H new ATOM 0 HG11 VAL A 19 11.109 1.747 -2.768 1.00 0.34 H new ATOM 0 HG12 VAL A 19 11.019 -0.028 -2.851 1.00 0.34 H new ATOM 0 HG13 VAL A 19 10.279 0.838 -1.484 1.00 0.34 H new ATOM 0 HG21 VAL A 19 12.589 2.853 -1.164 1.00 0.42 H new ATOM 0 HG22 VAL A 19 11.859 2.006 0.220 1.00 0.42 H new ATOM 0 HG23 VAL A 19 13.613 1.902 -0.063 1.00 0.42 H new ATOM 257 N SER A 20 11.929 -0.351 1.792 1.00 0.34 N ATOM 258 CA SER A 20 11.080 -0.453 2.970 1.00 0.33 C ATOM 259 C SER A 20 10.653 0.918 3.479 1.00 0.33 C ATOM 260 O SER A 20 11.374 1.908 3.337 1.00 0.35 O ATOM 261 CB SER A 20 11.820 -1.226 4.069 1.00 0.39 C ATOM 262 OG SER A 20 11.033 -1.365 5.241 1.00 0.47 O ATOM 0 H SER A 20 12.904 -0.132 1.994 1.00 0.34 H new ATOM 0 HA SER A 20 10.174 -0.991 2.692 1.00 0.33 H new ATOM 0 HB2 SER A 20 12.094 -2.213 3.697 1.00 0.39 H new ATOM 0 HB3 SER A 20 12.748 -0.709 4.314 1.00 0.39 H new ATOM 0 HG SER A 20 11.538 -1.864 5.917 1.00 0.47 H new ATOM 268 N CYS A 21 9.468 0.952 4.079 1.00 0.33 N ATOM 269 CA CYS A 21 8.907 2.175 4.630 1.00 0.35 C ATOM 270 C CYS A 21 9.665 2.555 5.900 1.00 0.40 C ATOM 271 O CYS A 21 10.030 1.682 6.692 1.00 0.43 O ATOM 272 CB CYS A 21 7.423 1.959 4.941 1.00 0.37 C ATOM 273 SG CYS A 21 6.460 3.474 5.146 1.00 0.34 S ATOM 0 H CYS A 21 8.872 0.133 4.196 1.00 0.33 H new ATOM 0 HA CYS A 21 9.003 2.984 3.906 1.00 0.35 H new ATOM 0 HB2 CYS A 21 6.980 1.370 4.137 1.00 0.37 H new ATOM 0 HB3 CYS A 21 7.340 1.367 5.853 1.00 0.37 H new ATOM 278 N LYS A 22 9.905 3.846 6.095 1.00 0.52 N ATOM 279 CA LYS A 22 10.679 4.304 7.241 1.00 0.61 C ATOM 280 C LYS A 22 9.765 4.653 8.419 1.00 0.63 C ATOM 281 O LYS A 22 10.199 5.252 9.402 1.00 0.78 O ATOM 282 CB LYS A 22 11.531 5.517 6.848 1.00 0.74 C ATOM 283 CG LYS A 22 12.653 5.829 7.827 1.00 1.35 C ATOM 284 CD LYS A 22 13.661 4.694 7.898 1.00 1.65 C ATOM 285 CE LYS A 22 14.793 5.008 8.859 1.00 2.25 C ATOM 286 NZ LYS A 22 15.823 3.939 8.868 1.00 2.79 N ATOM 0 H LYS A 22 9.577 4.590 5.479 1.00 0.52 H new ATOM 0 HA LYS A 22 11.337 3.494 7.556 1.00 0.61 H new ATOM 0 HB2 LYS A 22 11.961 5.342 5.862 1.00 0.74 H new ATOM 0 HB3 LYS A 22 10.884 6.390 6.763 1.00 0.74 H new ATOM 0 HG2 LYS A 22 13.157 6.747 7.524 1.00 1.35 H new ATOM 0 HG3 LYS A 22 12.234 6.008 8.817 1.00 1.35 H new ATOM 0 HD2 LYS A 22 13.158 3.780 8.214 1.00 1.65 H new ATOM 0 HD3 LYS A 22 14.068 4.506 6.905 1.00 1.65 H new ATOM 0 HE2 LYS A 22 15.255 5.955 8.579 1.00 2.25 H new ATOM 0 HE3 LYS A 22 14.391 5.134 9.864 1.00 2.25 H new ATOM 0 HZ1 LYS A 22 16.579 4.191 9.537 1.00 2.79 H new ATOM 0 HZ2 LYS A 22 15.388 3.040 9.159 1.00 2.79 H new ATOM 0 HZ3 LYS A 22 16.225 3.836 7.914 1.00 2.79 H new ATOM 300 N LYS A 23 8.503 4.262 8.329 1.00 0.60 N ATOM 301 CA LYS A 23 7.556 4.538 9.400 1.00 0.66 C ATOM 302 C LYS A 23 7.313 3.291 10.245 1.00 0.65 C ATOM 303 O LYS A 23 6.833 2.273 9.736 1.00 0.61 O ATOM 304 CB LYS A 23 6.226 5.053 8.845 1.00 0.75 C ATOM 305 CG LYS A 23 5.224 5.402 9.939 1.00 1.23 C ATOM 306 CD LYS A 23 3.964 6.049 9.387 1.00 1.50 C ATOM 307 CE LYS A 23 4.273 7.353 8.668 1.00 1.95 C ATOM 308 NZ LYS A 23 3.044 8.028 8.184 1.00 2.27 N ATOM 0 H LYS A 23 8.113 3.757 7.533 1.00 0.60 H new ATOM 0 HA LYS A 23 7.993 5.313 10.030 1.00 0.66 H new ATOM 0 HB2 LYS A 23 6.411 5.936 8.233 1.00 0.75 H new ATOM 0 HB3 LYS A 23 5.793 4.296 8.191 1.00 0.75 H new ATOM 0 HG2 LYS A 23 4.955 4.497 10.484 1.00 1.23 H new ATOM 0 HG3 LYS A 23 5.692 6.078 10.655 1.00 1.23 H new ATOM 0 HD2 LYS A 23 3.473 5.361 8.699 1.00 1.50 H new ATOM 0 HD3 LYS A 23 3.265 6.239 10.202 1.00 1.50 H new ATOM 0 HE2 LYS A 23 4.811 8.020 9.342 1.00 1.95 H new ATOM 0 HE3 LYS A 23 4.933 7.153 7.824 1.00 1.95 H new ATOM 0 HZ1 LYS A 23 3.300 8.762 7.493 1.00 2.27 H new ATOM 0 HZ2 LYS A 23 2.420 7.330 7.732 1.00 2.27 H new ATOM 0 HZ3 LYS A 23 2.549 8.466 8.987 1.00 2.27 H new ATOM 322 N PRO A 24 7.658 3.353 11.542 1.00 0.77 N ATOM 323 CA PRO A 24 7.392 2.268 12.494 1.00 0.83 C ATOM 324 C PRO A 24 5.923 1.851 12.496 1.00 0.80 C ATOM 325 O PRO A 24 5.027 2.700 12.501 1.00 0.86 O ATOM 326 CB PRO A 24 7.767 2.882 13.843 1.00 1.01 C ATOM 327 CG PRO A 24 8.782 3.913 13.509 1.00 1.18 C ATOM 328 CD PRO A 24 8.355 4.483 12.183 1.00 0.93 C ATOM 0 HA PRO A 24 7.950 1.364 12.249 1.00 0.83 H new ATOM 0 HB2 PRO A 24 6.899 3.323 14.334 1.00 1.01 H new ATOM 0 HB3 PRO A 24 8.171 2.132 14.523 1.00 1.01 H new ATOM 0 HG2 PRO A 24 8.821 4.688 14.275 1.00 1.18 H new ATOM 0 HG3 PRO A 24 9.779 3.476 13.446 1.00 1.18 H new ATOM 0 HD2 PRO A 24 7.698 5.344 12.307 1.00 0.93 H new ATOM 0 HD3 PRO A 24 9.209 4.816 11.594 1.00 0.93 H new ATOM 336 N GLY A 25 5.679 0.550 12.494 1.00 0.76 N ATOM 337 CA GLY A 25 4.319 0.055 12.445 1.00 0.75 C ATOM 338 C GLY A 25 3.915 -0.343 11.042 1.00 0.65 C ATOM 339 O GLY A 25 2.947 -1.081 10.852 1.00 0.83 O ATOM 0 H GLY A 25 6.398 -0.173 12.525 1.00 0.76 H new ATOM 0 HA2 GLY A 25 4.221 -0.804 13.109 1.00 0.75 H new ATOM 0 HA3 GLY A 25 3.639 0.823 12.815 1.00 0.75 H new ATOM 343 N CYS A 26 4.648 0.155 10.055 1.00 0.48 N ATOM 344 CA CYS A 26 4.406 -0.205 8.670 1.00 0.39 C ATOM 345 C CYS A 26 5.361 -1.323 8.267 1.00 0.34 C ATOM 346 O CYS A 26 6.550 -1.083 8.050 1.00 0.40 O ATOM 347 CB CYS A 26 4.618 1.018 7.780 1.00 0.44 C ATOM 348 SG CYS A 26 3.973 0.868 6.098 1.00 0.35 S ATOM 0 H CYS A 26 5.417 0.811 10.192 1.00 0.48 H new ATOM 0 HA CYS A 26 3.380 -0.552 8.552 1.00 0.39 H new ATOM 0 HB2 CYS A 26 4.149 1.879 8.256 1.00 0.44 H new ATOM 0 HB3 CYS A 26 5.686 1.226 7.725 1.00 0.44 H new ATOM 353 N PRO A 27 4.855 -2.558 8.168 1.00 0.37 N ATOM 354 CA PRO A 27 5.661 -3.727 7.852 1.00 0.45 C ATOM 355 C PRO A 27 5.601 -4.096 6.373 1.00 0.45 C ATOM 356 O PRO A 27 5.737 -5.263 6.010 1.00 0.66 O ATOM 357 CB PRO A 27 4.969 -4.797 8.695 1.00 0.57 C ATOM 358 CG PRO A 27 3.516 -4.431 8.638 1.00 0.57 C ATOM 359 CD PRO A 27 3.450 -2.938 8.388 1.00 0.44 C ATOM 0 HA PRO A 27 6.723 -3.586 8.055 1.00 0.45 H new ATOM 0 HB2 PRO A 27 5.144 -5.795 8.293 1.00 0.57 H new ATOM 0 HB3 PRO A 27 5.339 -4.797 9.720 1.00 0.57 H new ATOM 0 HG2 PRO A 27 3.010 -4.979 7.843 1.00 0.57 H new ATOM 0 HG3 PRO A 27 3.015 -4.689 9.571 1.00 0.57 H new ATOM 0 HD2 PRO A 27 2.832 -2.704 7.521 1.00 0.44 H new ATOM 0 HD3 PRO A 27 3.020 -2.408 9.238 1.00 0.44 H new ATOM 367 N LYS A 28 5.385 -3.104 5.523 1.00 0.30 N ATOM 368 CA LYS A 28 5.216 -3.362 4.101 1.00 0.30 C ATOM 369 C LYS A 28 6.431 -2.910 3.299 1.00 0.27 C ATOM 370 O LYS A 28 7.095 -1.930 3.649 1.00 0.31 O ATOM 371 CB LYS A 28 3.940 -2.686 3.587 1.00 0.32 C ATOM 372 CG LYS A 28 2.992 -3.650 2.881 1.00 0.42 C ATOM 373 CD LYS A 28 2.684 -4.864 3.750 1.00 0.52 C ATOM 374 CE LYS A 28 1.687 -5.796 3.091 1.00 0.70 C ATOM 375 NZ LYS A 28 1.711 -7.144 3.714 1.00 1.00 N ATOM 0 H LYS A 28 5.323 -2.121 5.789 1.00 0.30 H new ATOM 0 HA LYS A 28 5.121 -4.439 3.965 1.00 0.30 H new ATOM 0 HB2 LYS A 28 3.419 -2.223 4.425 1.00 0.32 H new ATOM 0 HB3 LYS A 28 4.212 -1.885 2.899 1.00 0.32 H new ATOM 0 HG2 LYS A 28 2.065 -3.134 2.632 1.00 0.42 H new ATOM 0 HG3 LYS A 28 3.437 -3.977 1.941 1.00 0.42 H new ATOM 0 HD2 LYS A 28 3.607 -5.407 3.955 1.00 0.52 H new ATOM 0 HD3 LYS A 28 2.290 -4.532 4.710 1.00 0.52 H new ATOM 0 HE2 LYS A 28 0.685 -5.375 3.171 1.00 0.70 H new ATOM 0 HE3 LYS A 28 1.913 -5.881 2.028 1.00 0.70 H new ATOM 0 HZ1 LYS A 28 1.406 -7.854 3.018 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 2.677 -7.363 4.031 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 1.067 -7.161 4.530 1.00 1.00 H new ATOM 389 N VAL A 29 6.710 -3.638 2.224 1.00 0.23 N ATOM 390 CA VAL A 29 7.856 -3.357 1.375 1.00 0.20 C ATOM 391 C VAL A 29 7.441 -3.479 -0.097 1.00 0.18 C ATOM 392 O VAL A 29 6.497 -4.207 -0.424 1.00 0.21 O ATOM 393 CB VAL A 29 9.023 -4.321 1.695 1.00 0.22 C ATOM 394 CG1 VAL A 29 8.865 -5.647 0.983 1.00 0.31 C ATOM 395 CG2 VAL A 29 10.364 -3.693 1.374 1.00 0.44 C ATOM 0 H VAL A 29 6.150 -4.435 1.920 1.00 0.23 H new ATOM 0 HA VAL A 29 8.201 -2.341 1.566 1.00 0.20 H new ATOM 0 HB VAL A 29 8.991 -4.516 2.767 1.00 0.22 H new ATOM 0 HG11 VAL A 29 9.704 -6.296 1.233 1.00 0.31 H new ATOM 0 HG12 VAL A 29 7.934 -6.120 1.296 1.00 0.31 H new ATOM 0 HG13 VAL A 29 8.843 -5.481 -0.094 1.00 0.31 H new ATOM 0 HG21 VAL A 29 11.162 -4.397 1.611 1.00 0.44 H new ATOM 0 HG22 VAL A 29 10.404 -3.442 0.314 1.00 0.44 H new ATOM 0 HG23 VAL A 29 10.492 -2.787 1.966 1.00 0.44 H new ATOM 405 N TYR A 30 8.125 -2.757 -0.975 1.00 0.19 N ATOM 406 CA TYR A 30 7.757 -2.707 -2.391 1.00 0.20 C ATOM 407 C TYR A 30 8.992 -2.515 -3.254 1.00 0.20 C ATOM 408 O TYR A 30 10.066 -2.220 -2.745 1.00 0.21 O ATOM 409 CB TYR A 30 6.801 -1.540 -2.663 1.00 0.29 C ATOM 410 CG TYR A 30 5.475 -1.610 -1.937 1.00 0.37 C ATOM 411 CD1 TYR A 30 4.479 -2.480 -2.354 1.00 0.44 C ATOM 412 CD2 TYR A 30 5.216 -0.792 -0.843 1.00 0.47 C ATOM 413 CE1 TYR A 30 3.264 -2.536 -1.704 1.00 0.55 C ATOM 414 CE2 TYR A 30 4.003 -0.844 -0.185 1.00 0.57 C ATOM 415 CZ TYR A 30 3.030 -1.717 -0.619 1.00 0.60 C ATOM 416 OH TYR A 30 1.820 -1.776 0.032 1.00 0.72 O ATOM 0 H TYR A 30 8.941 -2.195 -0.734 1.00 0.19 H new ATOM 0 HA TYR A 30 7.270 -3.651 -2.636 1.00 0.20 H new ATOM 0 HB2 TYR A 30 7.300 -0.611 -2.387 1.00 0.29 H new ATOM 0 HB3 TYR A 30 6.608 -1.492 -3.735 1.00 0.29 H new ATOM 0 HD1 TYR A 30 4.658 -3.125 -3.202 1.00 0.44 H new ATOM 0 HD2 TYR A 30 5.976 -0.105 -0.502 1.00 0.47 H new ATOM 0 HE1 TYR A 30 2.499 -3.218 -2.043 1.00 0.55 H new ATOM 0 HE2 TYR A 30 3.818 -0.204 0.665 1.00 0.57 H new ATOM 0 HH TYR A 30 1.543 -0.872 0.291 1.00 0.72 H new ATOM 426 N HIS A 31 8.838 -2.692 -4.559 1.00 0.23 N ATOM 427 CA HIS A 31 9.904 -2.362 -5.501 1.00 0.26 C ATOM 428 C HIS A 31 9.792 -0.895 -5.861 1.00 0.32 C ATOM 429 O HIS A 31 8.693 -0.349 -5.930 1.00 0.35 O ATOM 430 CB HIS A 31 9.806 -3.174 -6.800 1.00 0.28 C ATOM 431 CG HIS A 31 9.790 -4.651 -6.623 1.00 0.26 C ATOM 432 ND1 HIS A 31 8.729 -5.404 -7.051 1.00 0.30 N ATOM 433 CD2 HIS A 31 10.728 -5.465 -6.090 1.00 0.26 C ATOM 434 CE1 HIS A 31 9.034 -6.658 -6.767 1.00 0.31 C ATOM 435 NE2 HIS A 31 10.244 -6.749 -6.184 1.00 0.28 N ATOM 0 H HIS A 31 7.990 -3.060 -4.990 1.00 0.23 H new ATOM 0 HA HIS A 31 10.854 -2.596 -5.021 1.00 0.26 H new ATOM 0 HB2 HIS A 31 8.900 -2.877 -7.328 1.00 0.28 H new ATOM 0 HB3 HIS A 31 10.648 -2.910 -7.440 1.00 0.28 H new ATOM 0 HD2 HIS A 31 11.677 -5.165 -5.670 1.00 0.26 H new ATOM 0 HE1 HIS A 31 8.394 -7.502 -6.976 1.00 0.31 H new ATOM 0 HE2 HIS A 31 10.710 -7.602 -5.873 1.00 0.28 H new ATOM 443 N ALA A 32 10.922 -0.266 -6.106 1.00 0.38 N ATOM 444 CA ALA A 32 10.938 1.115 -6.543 1.00 0.45 C ATOM 445 C ALA A 32 10.273 1.246 -7.910 1.00 0.48 C ATOM 446 O ALA A 32 9.651 2.263 -8.219 1.00 0.55 O ATOM 447 CB ALA A 32 12.364 1.633 -6.582 1.00 0.53 C ATOM 0 H ALA A 32 11.845 -0.690 -6.010 1.00 0.38 H new ATOM 0 HA ALA A 32 10.373 1.718 -5.832 1.00 0.45 H new ATOM 0 HB1 ALA A 32 12.365 2.672 -6.912 1.00 0.53 H new ATOM 0 HB2 ALA A 32 12.802 1.568 -5.586 1.00 0.53 H new ATOM 0 HB3 ALA A 32 12.951 1.032 -7.276 1.00 0.53 H new ATOM 453 N ASP A 33 10.403 0.196 -8.716 1.00 0.48 N ATOM 454 CA ASP A 33 9.866 0.188 -10.075 1.00 0.55 C ATOM 455 C ASP A 33 8.339 0.236 -10.096 1.00 0.54 C ATOM 456 O ASP A 33 7.753 1.042 -10.818 1.00 0.62 O ATOM 457 CB ASP A 33 10.348 -1.044 -10.841 1.00 0.60 C ATOM 458 CG ASP A 33 9.845 -1.062 -12.271 1.00 1.35 C ATOM 459 OD1 ASP A 33 8.796 -1.687 -12.529 1.00 1.90 O ATOM 460 OD2 ASP A 33 10.496 -0.456 -13.144 1.00 2.01 O ATOM 0 H ASP A 33 10.879 -0.666 -8.450 1.00 0.48 H new ATOM 0 HA ASP A 33 10.237 1.090 -10.562 1.00 0.55 H new ATOM 0 HB2 ASP A 33 11.438 -1.067 -10.841 1.00 0.60 H new ATOM 0 HB3 ASP A 33 10.010 -1.944 -10.327 1.00 0.60 H new ATOM 465 N CYS A 34 7.697 -0.612 -9.301 1.00 0.48 N ATOM 466 CA CYS A 34 6.239 -0.703 -9.307 1.00 0.52 C ATOM 467 C CYS A 34 5.620 0.524 -8.643 1.00 0.56 C ATOM 468 O CYS A 34 4.445 0.832 -8.844 1.00 0.67 O ATOM 469 CB CYS A 34 5.784 -1.997 -8.613 1.00 0.50 C ATOM 470 SG CYS A 34 6.767 -2.428 -7.161 1.00 0.44 S ATOM 0 H CYS A 34 8.159 -1.244 -8.647 1.00 0.48 H new ATOM 0 HA CYS A 34 5.895 -0.731 -10.341 1.00 0.52 H new ATOM 0 HB2 CYS A 34 4.741 -1.892 -8.316 1.00 0.50 H new ATOM 0 HB3 CYS A 34 5.830 -2.818 -9.329 1.00 0.50 H new ATOM 475 N LEU A 35 6.427 1.228 -7.859 1.00 0.52 N ATOM 476 CA LEU A 35 6.002 2.479 -7.246 1.00 0.58 C ATOM 477 C LEU A 35 6.282 3.653 -8.176 1.00 0.67 C ATOM 478 O LEU A 35 5.940 4.797 -7.873 1.00 0.74 O ATOM 479 CB LEU A 35 6.739 2.695 -5.928 1.00 0.55 C ATOM 480 CG LEU A 35 6.575 1.590 -4.890 1.00 0.49 C ATOM 481 CD1 LEU A 35 7.501 1.852 -3.721 1.00 0.48 C ATOM 482 CD2 LEU A 35 5.134 1.496 -4.411 1.00 0.54 C ATOM 0 H LEU A 35 7.383 0.952 -7.632 1.00 0.52 H new ATOM 0 HA LEU A 35 4.930 2.420 -7.059 1.00 0.58 H new ATOM 0 HB2 LEU A 35 7.801 2.812 -6.142 1.00 0.55 H new ATOM 0 HB3 LEU A 35 6.396 3.633 -5.491 1.00 0.55 H new ATOM 0 HG LEU A 35 6.835 0.638 -5.353 1.00 0.49 H new ATOM 0 HD11 LEU A 35 7.383 1.062 -2.979 1.00 0.48 H new ATOM 0 HD12 LEU A 35 8.533 1.870 -4.071 1.00 0.48 H new ATOM 0 HD13 LEU A 35 7.254 2.813 -3.270 1.00 0.48 H new ATOM 0 HD21 LEU A 35 5.048 0.700 -3.672 1.00 0.54 H new ATOM 0 HD22 LEU A 35 4.838 2.443 -3.960 1.00 0.54 H new ATOM 0 HD23 LEU A 35 4.483 1.278 -5.257 1.00 0.54 H new ATOM 494 N ASN A 36 6.920 3.347 -9.308 1.00 0.68 N ATOM 495 CA ASN A 36 7.285 4.340 -10.315 1.00 0.77 C ATOM 496 C ASN A 36 8.236 5.383 -9.743 1.00 0.78 C ATOM 497 O ASN A 36 8.164 6.562 -10.092 1.00 0.87 O ATOM 498 CB ASN A 36 6.041 5.014 -10.903 1.00 0.86 C ATOM 499 CG ASN A 36 5.196 4.063 -11.729 1.00 1.46 C ATOM 500 OD1 ASN A 36 5.424 3.889 -12.928 1.00 2.09 O ATOM 501 ND2 ASN A 36 4.208 3.444 -11.100 1.00 2.13 N ATOM 0 H ASN A 36 7.199 2.396 -9.551 1.00 0.68 H new ATOM 0 HA ASN A 36 7.801 3.815 -11.119 1.00 0.77 H new ATOM 0 HB2 ASN A 36 5.436 5.421 -10.093 1.00 0.86 H new ATOM 0 HB3 ASN A 36 6.348 5.855 -11.525 1.00 0.86 H new ATOM 0 HD21 ASN A 36 3.605 2.798 -11.609 1.00 2.13 H new ATOM 0 HD22 ASN A 36 4.050 3.614 -10.107 1.00 2.13 H new ATOM 508 N LEU A 37 9.133 4.940 -8.870 1.00 0.71 N ATOM 509 CA LEU A 37 10.112 5.827 -8.260 1.00 0.75 C ATOM 510 C LEU A 37 11.284 6.073 -9.202 1.00 0.83 C ATOM 511 O LEU A 37 12.321 5.413 -9.106 1.00 0.88 O ATOM 512 CB LEU A 37 10.628 5.244 -6.941 1.00 0.69 C ATOM 513 CG LEU A 37 9.628 5.228 -5.782 1.00 0.69 C ATOM 514 CD1 LEU A 37 10.271 4.644 -4.532 1.00 0.69 C ATOM 515 CD2 LEU A 37 9.110 6.627 -5.498 1.00 0.78 C ATOM 0 H LEU A 37 9.201 3.968 -8.569 1.00 0.71 H new ATOM 0 HA LEU A 37 9.616 6.776 -8.058 1.00 0.75 H new ATOM 0 HB2 LEU A 37 10.961 4.222 -7.123 1.00 0.69 H new ATOM 0 HB3 LEU A 37 11.504 5.814 -6.632 1.00 0.69 H new ATOM 0 HG LEU A 37 8.785 4.599 -6.070 1.00 0.69 H new ATOM 0 HD11 LEU A 37 9.546 4.640 -3.718 1.00 0.69 H new ATOM 0 HD12 LEU A 37 10.596 3.623 -4.733 1.00 0.69 H new ATOM 0 HD13 LEU A 37 11.132 5.250 -4.249 1.00 0.69 H new ATOM 0 HD21 LEU A 37 8.401 6.592 -4.671 1.00 0.78 H new ATOM 0 HD22 LEU A 37 9.944 7.277 -5.233 1.00 0.78 H new ATOM 0 HD23 LEU A 37 8.613 7.018 -6.386 1.00 0.78 H new ATOM 527 N THR A 38 11.111 7.005 -10.125 1.00 0.91 N ATOM 528 CA THR A 38 12.192 7.408 -11.005 1.00 1.03 C ATOM 529 C THR A 38 13.212 8.244 -10.230 1.00 1.04 C ATOM 530 O THR A 38 14.403 8.249 -10.547 1.00 1.14 O ATOM 531 CB THR A 38 11.648 8.208 -12.202 1.00 1.16 C ATOM 532 OG1 THR A 38 10.542 7.505 -12.786 1.00 1.43 O ATOM 533 CG2 THR A 38 12.723 8.420 -13.257 1.00 1.59 C ATOM 0 H THR A 38 10.231 7.496 -10.283 1.00 0.91 H new ATOM 0 HA THR A 38 12.682 6.512 -11.386 1.00 1.03 H new ATOM 0 HB THR A 38 11.324 9.184 -11.840 1.00 1.16 H new ATOM 0 HG1 THR A 38 10.195 8.016 -13.547 1.00 1.43 H new ATOM 0 HG21 THR A 38 12.308 8.988 -14.090 1.00 1.59 H new ATOM 0 HG22 THR A 38 13.557 8.971 -12.821 1.00 1.59 H new ATOM 0 HG23 THR A 38 13.075 7.453 -13.617 1.00 1.59 H new ATOM 541 N LYS A 39 12.739 8.934 -9.197 1.00 0.99 N ATOM 542 CA LYS A 39 13.615 9.708 -8.335 1.00 1.02 C ATOM 543 C LYS A 39 13.746 9.028 -6.977 1.00 0.94 C ATOM 544 O LYS A 39 12.747 8.630 -6.372 1.00 0.96 O ATOM 545 CB LYS A 39 13.087 11.132 -8.157 1.00 1.12 C ATOM 546 CG LYS A 39 14.065 12.049 -7.438 1.00 1.57 C ATOM 547 CD LYS A 39 13.465 13.421 -7.180 1.00 1.98 C ATOM 548 CE LYS A 39 14.476 14.366 -6.545 1.00 2.58 C ATOM 549 NZ LYS A 39 15.054 13.813 -5.292 1.00 3.17 N ATOM 0 H LYS A 39 11.753 8.971 -8.939 1.00 0.99 H new ATOM 0 HA LYS A 39 14.597 9.762 -8.806 1.00 1.02 H new ATOM 0 HB2 LYS A 39 12.858 11.552 -9.136 1.00 1.12 H new ATOM 0 HB3 LYS A 39 12.152 11.099 -7.598 1.00 1.12 H new ATOM 0 HG2 LYS A 39 14.359 11.597 -6.491 1.00 1.57 H new ATOM 0 HG3 LYS A 39 14.971 12.155 -8.035 1.00 1.57 H new ATOM 0 HD2 LYS A 39 13.110 13.845 -8.119 1.00 1.98 H new ATOM 0 HD3 LYS A 39 12.598 13.322 -6.526 1.00 1.98 H new ATOM 0 HE2 LYS A 39 15.278 14.567 -7.255 1.00 2.58 H new ATOM 0 HE3 LYS A 39 13.994 15.320 -6.330 1.00 2.58 H new ATOM 0 HZ1 LYS A 39 15.603 14.551 -4.808 1.00 3.17 H new ATOM 0 HZ2 LYS A 39 14.287 13.488 -4.670 1.00 3.17 H new ATOM 0 HZ3 LYS A 39 15.677 13.012 -5.521 1.00 3.17 H new ATOM 563 N ARG A 40 14.975 8.901 -6.507 1.00 0.97 N ATOM 564 CA ARG A 40 15.257 8.230 -5.246 1.00 0.95 C ATOM 565 C ARG A 40 15.011 9.161 -4.059 1.00 0.91 C ATOM 566 O ARG A 40 15.545 10.271 -4.020 1.00 1.01 O ATOM 567 CB ARG A 40 16.711 7.756 -5.230 1.00 1.10 C ATOM 568 CG ARG A 40 17.127 7.098 -3.925 1.00 1.80 C ATOM 569 CD ARG A 40 18.629 6.875 -3.874 1.00 1.93 C ATOM 570 NE ARG A 40 19.370 8.134 -3.960 1.00 2.49 N ATOM 571 CZ ARG A 40 20.694 8.230 -3.871 1.00 2.88 C ATOM 572 NH1 ARG A 40 21.432 7.143 -3.681 1.00 2.66 N ATOM 573 NH2 ARG A 40 21.278 9.417 -3.969 1.00 3.84 N ATOM 0 H ARG A 40 15.803 9.257 -6.985 1.00 0.97 H new ATOM 0 HA ARG A 40 14.587 7.375 -5.157 1.00 0.95 H new ATOM 0 HB2 ARG A 40 16.862 7.050 -6.047 1.00 1.10 H new ATOM 0 HB3 ARG A 40 17.363 8.608 -5.421 1.00 1.10 H new ATOM 0 HG2 ARG A 40 16.821 7.723 -3.086 1.00 1.80 H new ATOM 0 HG3 ARG A 40 16.612 6.144 -3.816 1.00 1.80 H new ATOM 0 HD2 ARG A 40 18.889 6.363 -2.947 1.00 1.93 H new ATOM 0 HD3 ARG A 40 18.927 6.221 -4.694 1.00 1.93 H new ATOM 0 HE ARG A 40 18.837 8.993 -4.097 1.00 2.49 H new ATOM 0 HH11 ARG A 40 20.984 6.230 -3.603 1.00 2.66 H new ATOM 0 HH12 ARG A 40 22.447 7.221 -3.613 1.00 2.66 H new ATOM 0 HH21 ARG A 40 20.712 10.253 -4.112 1.00 3.84 H new ATOM 0 HH22 ARG A 40 22.293 9.493 -3.901 1.00 3.84 H new ATOM 587 N PRO A 41 14.199 8.726 -3.079 1.00 0.85 N ATOM 588 CA PRO A 41 13.967 9.492 -1.848 1.00 0.87 C ATOM 589 C PRO A 41 15.215 9.556 -0.969 1.00 0.96 C ATOM 590 O PRO A 41 16.145 8.762 -1.130 1.00 1.05 O ATOM 591 CB PRO A 41 12.856 8.712 -1.143 1.00 0.88 C ATOM 592 CG PRO A 41 12.980 7.324 -1.665 1.00 0.96 C ATOM 593 CD PRO A 41 13.430 7.467 -3.094 1.00 0.86 C ATOM 0 HA PRO A 41 13.706 10.530 -2.055 1.00 0.87 H new ATOM 0 HB2 PRO A 41 12.978 8.740 -0.060 1.00 0.88 H new ATOM 0 HB3 PRO A 41 11.875 9.132 -1.364 1.00 0.88 H new ATOM 0 HG2 PRO A 41 13.700 6.749 -1.083 1.00 0.96 H new ATOM 0 HG3 PRO A 41 12.028 6.796 -1.605 1.00 0.96 H new ATOM 0 HD2 PRO A 41 14.044 6.623 -3.409 1.00 0.86 H new ATOM 0 HD3 PRO A 41 12.584 7.520 -3.780 1.00 0.86 H new ATOM 601 N ALA A 42 15.230 10.499 -0.039 1.00 1.05 N ATOM 602 CA ALA A 42 16.375 10.689 0.835 1.00 1.18 C ATOM 603 C ALA A 42 15.943 10.722 2.298 1.00 1.15 C ATOM 604 O ALA A 42 15.022 11.453 2.663 1.00 1.21 O ATOM 605 CB ALA A 42 17.100 11.976 0.469 1.00 1.41 C ATOM 0 H ALA A 42 14.459 11.146 0.129 1.00 1.05 H new ATOM 0 HA ALA A 42 17.055 9.847 0.702 1.00 1.18 H new ATOM 0 HB1 ALA A 42 17.957 12.111 1.129 1.00 1.41 H new ATOM 0 HB2 ALA A 42 17.443 11.919 -0.564 1.00 1.41 H new ATOM 0 HB3 ALA A 42 16.420 12.821 0.580 1.00 1.41 H new ATOM 611 N GLY A 43 16.599 9.920 3.128 1.00 1.17 N ATOM 612 CA GLY A 43 16.300 9.919 4.547 1.00 1.18 C ATOM 613 C GLY A 43 15.116 9.043 4.880 1.00 1.04 C ATOM 614 O GLY A 43 15.194 7.818 4.786 1.00 1.12 O ATOM 0 H GLY A 43 17.332 9.271 2.844 1.00 1.17 H new ATOM 0 HA2 GLY A 43 17.173 9.573 5.100 1.00 1.18 H new ATOM 0 HA3 GLY A 43 16.099 10.939 4.875 1.00 1.18 H new ATOM 618 N LYS A 44 14.015 9.667 5.266 1.00 1.00 N ATOM 619 CA LYS A 44 12.812 8.931 5.607 1.00 0.92 C ATOM 620 C LYS A 44 11.858 8.889 4.426 1.00 0.80 C ATOM 621 O LYS A 44 11.351 9.923 3.988 1.00 0.84 O ATOM 622 CB LYS A 44 12.105 9.556 6.810 1.00 1.04 C ATOM 623 CG LYS A 44 12.963 9.633 8.062 1.00 1.53 C ATOM 624 CD LYS A 44 12.126 9.976 9.287 1.00 1.94 C ATOM 625 CE LYS A 44 11.416 11.314 9.137 1.00 2.69 C ATOM 626 NZ LYS A 44 10.504 11.589 10.278 1.00 3.46 N ATOM 0 H LYS A 44 13.931 10.680 5.350 1.00 1.00 H new ATOM 0 HA LYS A 44 13.111 7.915 5.865 1.00 0.92 H new ATOM 0 HB2 LYS A 44 11.778 10.561 6.544 1.00 1.04 H new ATOM 0 HB3 LYS A 44 11.208 8.977 7.032 1.00 1.04 H new ATOM 0 HG2 LYS A 44 13.467 8.679 8.219 1.00 1.53 H new ATOM 0 HG3 LYS A 44 13.740 10.386 7.927 1.00 1.53 H new ATOM 0 HD2 LYS A 44 11.388 9.191 9.453 1.00 1.94 H new ATOM 0 HD3 LYS A 44 12.767 10.003 10.168 1.00 1.94 H new ATOM 0 HE2 LYS A 44 12.156 12.111 9.063 1.00 2.69 H new ATOM 0 HE3 LYS A 44 10.847 11.321 8.208 1.00 2.69 H new ATOM 0 HZ1 LYS A 44 10.040 12.509 10.138 1.00 3.46 H new ATOM 0 HZ2 LYS A 44 9.782 10.842 10.333 1.00 3.46 H new ATOM 0 HZ3 LYS A 44 11.051 11.608 11.163 1.00 3.46 H new ATOM 640 N TRP A 45 11.626 7.698 3.912 1.00 0.72 N ATOM 641 CA TRP A 45 10.678 7.511 2.835 1.00 0.62 C ATOM 642 C TRP A 45 9.355 6.983 3.378 1.00 0.53 C ATOM 643 O TRP A 45 9.322 6.001 4.128 1.00 0.53 O ATOM 644 CB TRP A 45 11.243 6.558 1.779 1.00 0.62 C ATOM 645 CG TRP A 45 10.243 6.175 0.731 1.00 0.55 C ATOM 646 CD1 TRP A 45 9.757 6.967 -0.269 1.00 0.57 C ATOM 647 CD2 TRP A 45 9.605 4.903 0.580 1.00 0.48 C ATOM 648 NE1 TRP A 45 8.851 6.268 -1.024 1.00 0.51 N ATOM 649 CE2 TRP A 45 8.744 4.997 -0.527 1.00 0.46 C ATOM 650 CE3 TRP A 45 9.680 3.694 1.274 1.00 0.47 C ATOM 651 CZ2 TRP A 45 7.963 3.927 -0.954 1.00 0.43 C ATOM 652 CZ3 TRP A 45 8.906 2.631 0.849 1.00 0.44 C ATOM 653 CH2 TRP A 45 8.058 2.752 -0.257 1.00 0.42 C ATOM 0 H TRP A 45 12.084 6.842 4.225 1.00 0.72 H new ATOM 0 HA TRP A 45 10.498 8.477 2.363 1.00 0.62 H new ATOM 0 HB2 TRP A 45 12.101 7.027 1.298 1.00 0.62 H new ATOM 0 HB3 TRP A 45 11.607 5.656 2.271 1.00 0.62 H new ATOM 0 HD1 TRP A 45 10.044 7.994 -0.440 1.00 0.57 H new ATOM 0 HE1 TRP A 45 8.339 6.636 -1.826 1.00 0.51 H new ATOM 0 HE3 TRP A 45 10.332 3.591 2.129 1.00 0.47 H new ATOM 0 HZ2 TRP A 45 7.305 4.020 -1.805 1.00 0.43 H new ATOM 0 HZ3 TRP A 45 8.957 1.692 1.379 1.00 0.44 H new ATOM 0 HH2 TRP A 45 7.467 1.903 -0.567 1.00 0.42 H new ATOM 664 N GLU A 46 8.272 7.646 3.008 1.00 0.51 N ATOM 665 CA GLU A 46 6.943 7.239 3.420 1.00 0.48 C ATOM 666 C GLU A 46 6.235 6.563 2.245 1.00 0.39 C ATOM 667 O GLU A 46 6.125 7.145 1.167 1.00 0.42 O ATOM 668 CB GLU A 46 6.164 8.465 3.902 1.00 0.60 C ATOM 669 CG GLU A 46 4.871 8.136 4.623 1.00 1.17 C ATOM 670 CD GLU A 46 4.232 9.356 5.251 1.00 1.33 C ATOM 671 OE1 GLU A 46 4.471 9.610 6.448 1.00 1.73 O ATOM 672 OE2 GLU A 46 3.483 10.067 4.547 1.00 1.82 O ATOM 0 H GLU A 46 8.291 8.477 2.417 1.00 0.51 H new ATOM 0 HA GLU A 46 7.005 6.526 4.242 1.00 0.48 H new ATOM 0 HB2 GLU A 46 6.801 9.047 4.568 1.00 0.60 H new ATOM 0 HB3 GLU A 46 5.938 9.098 3.044 1.00 0.60 H new ATOM 0 HG2 GLU A 46 4.171 7.684 3.920 1.00 1.17 H new ATOM 0 HG3 GLU A 46 5.069 7.394 5.397 1.00 1.17 H new ATOM 679 N CYS A 47 5.783 5.326 2.447 1.00 0.32 N ATOM 680 CA CYS A 47 5.187 4.547 1.362 1.00 0.28 C ATOM 681 C CYS A 47 3.858 5.161 0.915 1.00 0.26 C ATOM 682 O CYS A 47 3.122 5.730 1.726 1.00 0.27 O ATOM 683 CB CYS A 47 4.977 3.082 1.788 1.00 0.28 C ATOM 684 SG CYS A 47 3.565 2.799 2.885 1.00 0.26 S ATOM 0 H CYS A 47 5.817 4.844 3.345 1.00 0.32 H new ATOM 0 HA CYS A 47 5.879 4.567 0.520 1.00 0.28 H new ATOM 0 HB2 CYS A 47 4.850 2.474 0.893 1.00 0.28 H new ATOM 0 HB3 CYS A 47 5.881 2.731 2.286 1.00 0.28 H new ATOM 689 N PRO A 48 3.532 5.041 -0.390 1.00 0.27 N ATOM 690 CA PRO A 48 2.295 5.591 -0.959 1.00 0.29 C ATOM 691 C PRO A 48 1.054 4.849 -0.475 1.00 0.27 C ATOM 692 O PRO A 48 -0.070 5.183 -0.853 1.00 0.30 O ATOM 693 CB PRO A 48 2.471 5.406 -2.469 1.00 0.35 C ATOM 694 CG PRO A 48 3.459 4.303 -2.616 1.00 0.34 C ATOM 695 CD PRO A 48 4.357 4.369 -1.412 1.00 0.29 C ATOM 0 HA PRO A 48 2.143 6.629 -0.662 1.00 0.29 H new ATOM 0 HB2 PRO A 48 1.525 5.153 -2.947 1.00 0.35 H new ATOM 0 HB3 PRO A 48 2.831 6.322 -2.938 1.00 0.35 H new ATOM 0 HG2 PRO A 48 2.956 3.337 -2.672 1.00 0.34 H new ATOM 0 HG3 PRO A 48 4.034 4.417 -3.535 1.00 0.34 H new ATOM 0 HD2 PRO A 48 4.664 3.375 -1.087 1.00 0.29 H new ATOM 0 HD3 PRO A 48 5.267 4.930 -1.623 1.00 0.29 H new ATOM 703 N TRP A 49 1.274 3.846 0.368 1.00 0.24 N ATOM 704 CA TRP A 49 0.191 3.088 0.978 1.00 0.23 C ATOM 705 C TRP A 49 -0.402 3.891 2.136 1.00 0.23 C ATOM 706 O TRP A 49 -1.372 3.483 2.766 1.00 0.27 O ATOM 707 CB TRP A 49 0.719 1.731 1.471 1.00 0.22 C ATOM 708 CG TRP A 49 -0.326 0.658 1.591 1.00 0.22 C ATOM 709 CD1 TRP A 49 -1.343 0.396 0.715 1.00 0.25 C ATOM 710 CD2 TRP A 49 -0.437 -0.318 2.636 1.00 0.24 C ATOM 711 NE1 TRP A 49 -2.077 -0.681 1.153 1.00 0.27 N ATOM 712 CE2 TRP A 49 -1.544 -1.134 2.331 1.00 0.26 C ATOM 713 CE3 TRP A 49 0.291 -0.579 3.804 1.00 0.27 C ATOM 714 CZ2 TRP A 49 -1.937 -2.192 3.146 1.00 0.30 C ATOM 715 CZ3 TRP A 49 -0.102 -1.629 4.613 1.00 0.31 C ATOM 716 CH2 TRP A 49 -1.208 -2.425 4.280 1.00 0.32 C ATOM 0 H TRP A 49 2.206 3.537 0.646 1.00 0.24 H new ATOM 0 HA TRP A 49 -0.591 2.906 0.241 1.00 0.23 H new ATOM 0 HB2 TRP A 49 1.496 1.388 0.787 1.00 0.22 H new ATOM 0 HB3 TRP A 49 1.190 1.871 2.444 1.00 0.22 H new ATOM 0 HD1 TRP A 49 -1.541 0.953 -0.189 1.00 0.25 H new ATOM 0 HE1 TRP A 49 -2.887 -1.078 0.678 1.00 0.27 H new ATOM 0 HE3 TRP A 49 1.144 0.029 4.068 1.00 0.27 H new ATOM 0 HZ2 TRP A 49 -2.788 -2.807 2.892 1.00 0.30 H new ATOM 0 HZ3 TRP A 49 0.452 -1.840 5.516 1.00 0.31 H new ATOM 0 HH2 TRP A 49 -1.490 -3.238 4.932 1.00 0.32 H new ATOM 727 N HIS A 50 0.215 5.035 2.428 1.00 0.23 N ATOM 728 CA HIS A 50 -0.336 5.974 3.396 1.00 0.24 C ATOM 729 C HIS A 50 -0.958 7.160 2.675 1.00 0.25 C ATOM 730 O HIS A 50 -1.325 8.155 3.298 1.00 0.29 O ATOM 731 CB HIS A 50 0.743 6.503 4.342 1.00 0.27 C ATOM 732 CG HIS A 50 1.545 5.450 5.038 1.00 0.28 C ATOM 733 ND1 HIS A 50 2.851 5.464 5.388 1.00 0.32 N flip ATOM 734 CD2 HIS A 50 1.044 4.248 5.479 1.00 0.30 C flip ATOM 735 CE1 HIS A 50 3.168 4.283 6.044 1.00 0.35 C flip ATOM 736 NE2 HIS A 50 2.046 3.580 6.072 1.00 0.34 N flip ATOM 0 H HIS A 50 1.096 5.331 2.007 1.00 0.23 H new ATOM 0 HA HIS A 50 -1.088 5.438 3.975 1.00 0.24 H new ATOM 0 HB2 HIS A 50 1.422 7.140 3.775 1.00 0.27 H new ATOM 0 HB3 HIS A 50 0.268 7.133 5.094 1.00 0.27 H new ATOM 0 HD2 HIS A 50 0.027 3.903 5.368 1.00 0.30 H new ATOM 0 HE1 HIS A 50 4.128 3.997 6.447 1.00 0.35 H new ATOM 0 HE2 HIS A 50 1.955 2.654 6.489 1.00 0.34 H new ATOM 744 N GLN A 51 -1.063 7.062 1.361 1.00 0.25 N ATOM 745 CA GLN A 51 -1.539 8.174 0.553 1.00 0.28 C ATOM 746 C GLN A 51 -2.779 7.796 -0.229 1.00 0.24 C ATOM 747 O GLN A 51 -2.861 6.720 -0.816 1.00 0.26 O ATOM 748 CB GLN A 51 -0.446 8.648 -0.403 1.00 0.38 C ATOM 749 CG GLN A 51 0.788 9.162 0.309 1.00 0.48 C ATOM 750 CD GLN A 51 0.547 10.480 1.021 1.00 0.55 C ATOM 751 OE1 GLN A 51 0.742 11.544 0.441 1.00 0.83 O ATOM 752 NE2 GLN A 51 0.118 10.427 2.275 1.00 0.86 N ATOM 0 H GLN A 51 -0.825 6.224 0.830 1.00 0.25 H new ATOM 0 HA GLN A 51 -1.798 8.987 1.231 1.00 0.28 H new ATOM 0 HB2 GLN A 51 -0.163 7.824 -1.058 1.00 0.38 H new ATOM 0 HB3 GLN A 51 -0.846 9.438 -1.039 1.00 0.38 H new ATOM 0 HG2 GLN A 51 1.121 8.418 1.033 1.00 0.48 H new ATOM 0 HG3 GLN A 51 1.594 9.286 -0.414 1.00 0.48 H new ATOM 0 HE21 GLN A 51 -0.033 9.524 2.725 1.00 0.86 H new ATOM 0 HE22 GLN A 51 -0.061 11.289 2.790 1.00 0.86 H new ATOM 761 N CYS A 52 -3.749 8.690 -0.217 1.00 0.23 N ATOM 762 CA CYS A 52 -4.968 8.500 -0.969 1.00 0.21 C ATOM 763 C CYS A 52 -4.655 8.561 -2.453 1.00 0.26 C ATOM 764 O CYS A 52 -4.186 9.584 -2.950 1.00 0.31 O ATOM 765 CB CYS A 52 -5.984 9.577 -0.595 1.00 0.22 C ATOM 766 SG CYS A 52 -7.575 9.449 -1.445 1.00 0.23 S ATOM 0 H CYS A 52 -3.712 9.562 0.311 1.00 0.23 H new ATOM 0 HA CYS A 52 -5.395 7.525 -0.733 1.00 0.21 H new ATOM 0 HB2 CYS A 52 -6.158 9.534 0.480 1.00 0.22 H new ATOM 0 HB3 CYS A 52 -5.551 10.554 -0.809 1.00 0.22 H new ATOM 771 N ASP A 53 -4.916 7.470 -3.155 1.00 0.28 N ATOM 772 CA ASP A 53 -4.589 7.374 -4.577 1.00 0.35 C ATOM 773 C ASP A 53 -5.436 8.347 -5.397 1.00 0.36 C ATOM 774 O ASP A 53 -5.190 8.557 -6.582 1.00 0.42 O ATOM 775 CB ASP A 53 -4.794 5.938 -5.076 1.00 0.39 C ATOM 776 CG ASP A 53 -4.142 5.686 -6.423 1.00 0.51 C ATOM 777 OD1 ASP A 53 -4.862 5.694 -7.447 1.00 0.56 O ATOM 778 OD2 ASP A 53 -2.907 5.506 -6.472 1.00 0.64 O ATOM 0 H ASP A 53 -5.354 6.635 -2.767 1.00 0.28 H new ATOM 0 HA ASP A 53 -3.540 7.643 -4.704 1.00 0.35 H new ATOM 0 HB2 ASP A 53 -4.386 5.242 -4.344 1.00 0.39 H new ATOM 0 HB3 ASP A 53 -5.862 5.733 -5.150 1.00 0.39 H new ATOM 783 N VAL A 54 -6.426 8.956 -4.753 1.00 0.33 N ATOM 784 CA VAL A 54 -7.292 9.909 -5.422 1.00 0.36 C ATOM 785 C VAL A 54 -6.776 11.341 -5.265 1.00 0.37 C ATOM 786 O VAL A 54 -6.514 12.020 -6.253 1.00 0.44 O ATOM 787 CB VAL A 54 -8.738 9.837 -4.891 1.00 0.34 C ATOM 788 CG1 VAL A 54 -9.629 10.819 -5.630 1.00 0.38 C ATOM 789 CG2 VAL A 54 -9.291 8.428 -5.015 1.00 0.33 C ATOM 0 H VAL A 54 -6.645 8.804 -3.769 1.00 0.33 H new ATOM 0 HA VAL A 54 -7.288 9.639 -6.478 1.00 0.36 H new ATOM 0 HB VAL A 54 -8.723 10.108 -3.835 1.00 0.34 H new ATOM 0 HG11 VAL A 54 -10.645 10.753 -5.241 1.00 0.38 H new ATOM 0 HG12 VAL A 54 -9.251 11.831 -5.488 1.00 0.38 H new ATOM 0 HG13 VAL A 54 -9.632 10.579 -6.693 1.00 0.38 H new ATOM 0 HG21 VAL A 54 -10.312 8.403 -4.634 1.00 0.33 H new ATOM 0 HG22 VAL A 54 -9.287 8.126 -6.062 1.00 0.33 H new ATOM 0 HG23 VAL A 54 -8.671 7.742 -4.438 1.00 0.33 H new ATOM 799 N CYS A 55 -6.618 11.798 -4.023 1.00 0.34 N ATOM 800 CA CYS A 55 -6.310 13.208 -3.788 1.00 0.36 C ATOM 801 C CYS A 55 -4.888 13.436 -3.263 1.00 0.35 C ATOM 802 O CYS A 55 -4.425 14.577 -3.198 1.00 0.41 O ATOM 803 CB CYS A 55 -7.328 13.817 -2.824 1.00 0.37 C ATOM 804 SG CYS A 55 -7.304 13.115 -1.156 1.00 0.32 S ATOM 0 H CYS A 55 -6.696 11.227 -3.181 1.00 0.34 H new ATOM 0 HA CYS A 55 -6.371 13.705 -4.756 1.00 0.36 H new ATOM 0 HB2 CYS A 55 -7.146 14.889 -2.755 1.00 0.37 H new ATOM 0 HB3 CYS A 55 -8.326 13.689 -3.243 1.00 0.37 H new ATOM 809 N GLY A 56 -4.197 12.365 -2.884 1.00 0.33 N ATOM 810 CA GLY A 56 -2.833 12.499 -2.397 1.00 0.36 C ATOM 811 C GLY A 56 -2.754 12.874 -0.928 1.00 0.38 C ATOM 812 O GLY A 56 -1.665 13.072 -0.393 1.00 0.49 O ATOM 0 H GLY A 56 -4.554 11.410 -2.905 1.00 0.33 H new ATOM 0 HA2 GLY A 56 -2.305 11.559 -2.554 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -2.317 13.257 -2.987 1.00 0.36 H new ATOM 816 N LYS A 57 -3.904 12.989 -0.273 1.00 0.35 N ATOM 817 CA LYS A 57 -3.932 13.243 1.163 1.00 0.39 C ATOM 818 C LYS A 57 -3.630 11.963 1.927 1.00 0.33 C ATOM 819 O LYS A 57 -3.597 10.880 1.340 1.00 0.33 O ATOM 820 CB LYS A 57 -5.289 13.792 1.601 1.00 0.48 C ATOM 821 CG LYS A 57 -5.608 15.167 1.045 1.00 0.65 C ATOM 822 CD LYS A 57 -6.950 15.659 1.558 1.00 0.78 C ATOM 823 CE LYS A 57 -7.302 17.025 0.994 1.00 1.16 C ATOM 824 NZ LYS A 57 -8.629 17.492 1.475 1.00 1.91 N ATOM 0 H LYS A 57 -4.823 12.911 -0.709 1.00 0.35 H new ATOM 0 HA LYS A 57 -3.170 13.990 1.385 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -6.068 13.096 1.290 1.00 0.48 H new ATOM 0 HB3 LYS A 57 -5.317 13.836 2.690 1.00 0.48 H new ATOM 0 HG2 LYS A 57 -4.825 15.870 1.330 1.00 0.65 H new ATOM 0 HG3 LYS A 57 -5.622 15.129 -0.044 1.00 0.65 H new ATOM 0 HD2 LYS A 57 -7.727 14.943 1.289 1.00 0.78 H new ATOM 0 HD3 LYS A 57 -6.927 15.710 2.647 1.00 0.78 H new ATOM 0 HE2 LYS A 57 -6.536 17.746 1.281 1.00 1.16 H new ATOM 0 HE3 LYS A 57 -7.305 16.980 -0.095 1.00 1.16 H new ATOM 0 HZ1 LYS A 57 -8.836 18.427 1.070 1.00 1.91 H new ATOM 0 HZ2 LYS A 57 -9.363 16.817 1.179 1.00 1.91 H new ATOM 0 HZ3 LYS A 57 -8.618 17.559 2.513 1.00 1.91 H new ATOM 838 N GLU A 58 -3.420 12.086 3.229 1.00 0.35 N ATOM 839 CA GLU A 58 -3.121 10.938 4.066 1.00 0.37 C ATOM 840 C GLU A 58 -4.292 9.959 4.062 1.00 0.30 C ATOM 841 O GLU A 58 -5.440 10.341 4.299 1.00 0.36 O ATOM 842 CB GLU A 58 -2.813 11.388 5.493 1.00 0.51 C ATOM 843 CG GLU A 58 -2.294 10.274 6.385 1.00 0.88 C ATOM 844 CD GLU A 58 -2.065 10.733 7.805 1.00 1.30 C ATOM 845 OE1 GLU A 58 -0.979 11.280 8.085 1.00 1.50 O ATOM 846 OE2 GLU A 58 -2.965 10.548 8.651 1.00 2.03 O ATOM 0 H GLU A 58 -3.452 12.974 3.729 1.00 0.35 H new ATOM 0 HA GLU A 58 -2.243 10.433 3.662 1.00 0.37 H new ATOM 0 HB2 GLU A 58 -2.075 12.189 5.461 1.00 0.51 H new ATOM 0 HB3 GLU A 58 -3.717 11.805 5.936 1.00 0.51 H new ATOM 0 HG2 GLU A 58 -3.006 9.449 6.383 1.00 0.88 H new ATOM 0 HG3 GLU A 58 -1.360 9.889 5.975 1.00 0.88 H new ATOM 853 N ALA A 59 -3.992 8.706 3.775 1.00 0.26 N ATOM 854 CA ALA A 59 -5.006 7.673 3.682 1.00 0.21 C ATOM 855 C ALA A 59 -5.418 7.165 5.057 1.00 0.23 C ATOM 856 O ALA A 59 -4.597 7.069 5.969 1.00 0.30 O ATOM 857 CB ALA A 59 -4.493 6.523 2.842 1.00 0.22 C ATOM 0 H ALA A 59 -3.042 8.377 3.600 1.00 0.26 H new ATOM 0 HA ALA A 59 -5.886 8.110 3.209 1.00 0.21 H new ATOM 0 HB1 ALA A 59 -5.259 5.751 2.776 1.00 0.22 H new ATOM 0 HB2 ALA A 59 -4.253 6.882 1.841 1.00 0.22 H new ATOM 0 HB3 ALA A 59 -3.597 6.107 3.303 1.00 0.22 H new ATOM 863 N ALA A 60 -6.695 6.840 5.190 1.00 0.20 N ATOM 864 CA ALA A 60 -7.226 6.294 6.428 1.00 0.23 C ATOM 865 C ALA A 60 -7.558 4.819 6.255 1.00 0.23 C ATOM 866 O ALA A 60 -7.525 4.043 7.210 1.00 0.30 O ATOM 867 CB ALA A 60 -8.457 7.071 6.855 1.00 0.27 C ATOM 0 H ALA A 60 -7.387 6.946 4.448 1.00 0.20 H new ATOM 0 HA ALA A 60 -6.469 6.387 7.207 1.00 0.23 H new ATOM 0 HB1 ALA A 60 -8.847 6.654 7.783 1.00 0.27 H new ATOM 0 HB2 ALA A 60 -8.191 8.117 7.010 1.00 0.27 H new ATOM 0 HB3 ALA A 60 -9.219 7.002 6.078 1.00 0.27 H new ATOM 873 N SER A 61 -7.885 4.438 5.030 1.00 0.21 N ATOM 874 CA SER A 61 -8.181 3.058 4.714 1.00 0.23 C ATOM 875 C SER A 61 -7.165 2.526 3.711 1.00 0.20 C ATOM 876 O SER A 61 -6.658 3.276 2.873 1.00 0.30 O ATOM 877 CB SER A 61 -9.595 2.950 4.158 1.00 0.30 C ATOM 878 OG SER A 61 -9.759 3.785 3.026 1.00 0.35 O ATOM 0 H SER A 61 -7.951 5.074 4.236 1.00 0.21 H new ATOM 0 HA SER A 61 -8.117 2.456 5.621 1.00 0.23 H new ATOM 0 HB2 SER A 61 -9.805 1.916 3.885 1.00 0.30 H new ATOM 0 HB3 SER A 61 -10.315 3.229 4.928 1.00 0.30 H new ATOM 0 HG SER A 61 -10.295 3.319 2.351 1.00 0.35 H new ATOM 884 N PHE A 62 -6.868 1.238 3.796 1.00 0.21 N ATOM 885 CA PHE A 62 -5.823 0.646 2.974 1.00 0.20 C ATOM 886 C PHE A 62 -6.351 -0.589 2.256 1.00 0.19 C ATOM 887 O PHE A 62 -6.907 -1.485 2.891 1.00 0.22 O ATOM 888 CB PHE A 62 -4.631 0.255 3.861 1.00 0.26 C ATOM 889 CG PHE A 62 -4.318 1.270 4.932 1.00 0.30 C ATOM 890 CD1 PHE A 62 -4.719 1.051 6.243 1.00 0.68 C ATOM 891 CD2 PHE A 62 -3.648 2.443 4.631 1.00 0.29 C ATOM 892 CE1 PHE A 62 -4.457 1.984 7.228 1.00 0.76 C ATOM 893 CE2 PHE A 62 -3.382 3.378 5.615 1.00 0.29 C ATOM 894 CZ PHE A 62 -3.788 3.148 6.913 1.00 0.47 C ATOM 0 H PHE A 62 -7.335 0.584 4.424 1.00 0.21 H new ATOM 0 HA PHE A 62 -5.503 1.376 2.231 1.00 0.20 H new ATOM 0 HB2 PHE A 62 -4.839 -0.706 4.332 1.00 0.26 H new ATOM 0 HB3 PHE A 62 -3.751 0.118 3.233 1.00 0.26 H new ATOM 0 HD1 PHE A 62 -5.242 0.141 6.496 1.00 0.68 H new ATOM 0 HD2 PHE A 62 -3.329 2.630 3.616 1.00 0.29 H new ATOM 0 HE1 PHE A 62 -4.776 1.802 8.244 1.00 0.76 H new ATOM 0 HE2 PHE A 62 -2.856 4.288 5.367 1.00 0.29 H new ATOM 0 HZ PHE A 62 -3.582 3.878 7.681 1.00 0.47 H new ATOM 904 N CYS A 63 -6.212 -0.628 0.933 1.00 0.18 N ATOM 905 CA CYS A 63 -6.564 -1.826 0.185 1.00 0.18 C ATOM 906 C CYS A 63 -5.556 -2.923 0.492 1.00 0.19 C ATOM 907 O CYS A 63 -4.356 -2.748 0.288 1.00 0.22 O ATOM 908 CB CYS A 63 -6.616 -1.565 -1.327 1.00 0.20 C ATOM 909 SG CYS A 63 -7.320 -2.941 -2.271 1.00 0.23 S ATOM 0 H CYS A 63 -5.863 0.145 0.366 1.00 0.18 H new ATOM 0 HA CYS A 63 -7.562 -2.138 0.493 1.00 0.18 H new ATOM 0 HB2 CYS A 63 -7.206 -0.667 -1.513 1.00 0.20 H new ATOM 0 HB3 CYS A 63 -5.607 -1.365 -1.688 1.00 0.20 H new ATOM 914 N GLU A 64 -6.047 -4.051 0.976 1.00 0.19 N ATOM 915 CA GLU A 64 -5.186 -5.159 1.362 1.00 0.23 C ATOM 916 C GLU A 64 -4.886 -6.048 0.161 1.00 0.25 C ATOM 917 O GLU A 64 -4.532 -7.219 0.312 1.00 0.29 O ATOM 918 CB GLU A 64 -5.835 -5.986 2.473 1.00 0.24 C ATOM 919 CG GLU A 64 -6.058 -5.217 3.766 1.00 0.24 C ATOM 920 CD GLU A 64 -6.667 -6.079 4.850 1.00 0.29 C ATOM 921 OE1 GLU A 64 -5.908 -6.654 5.655 1.00 0.42 O ATOM 922 OE2 GLU A 64 -7.912 -6.183 4.904 1.00 0.32 O ATOM 0 H GLU A 64 -7.043 -4.225 1.112 1.00 0.19 H new ATOM 0 HA GLU A 64 -4.250 -4.744 1.736 1.00 0.23 H new ATOM 0 HB2 GLU A 64 -6.793 -6.365 2.118 1.00 0.24 H new ATOM 0 HB3 GLU A 64 -5.207 -6.852 2.681 1.00 0.24 H new ATOM 0 HG2 GLU A 64 -5.107 -4.816 4.116 1.00 0.24 H new ATOM 0 HG3 GLU A 64 -6.711 -4.366 3.572 1.00 0.24 H new ATOM 929 N MET A 65 -5.044 -5.492 -1.034 1.00 0.27 N ATOM 930 CA MET A 65 -4.723 -6.219 -2.254 1.00 0.32 C ATOM 931 C MET A 65 -3.839 -5.397 -3.193 1.00 0.35 C ATOM 932 O MET A 65 -3.349 -5.917 -4.193 1.00 0.44 O ATOM 933 CB MET A 65 -5.997 -6.636 -2.987 1.00 0.34 C ATOM 934 CG MET A 65 -6.917 -7.531 -2.169 1.00 0.36 C ATOM 935 SD MET A 65 -8.414 -7.988 -3.065 1.00 0.70 S ATOM 936 CE MET A 65 -7.710 -8.822 -4.486 1.00 1.54 C ATOM 0 H MET A 65 -5.391 -4.544 -1.183 1.00 0.27 H new ATOM 0 HA MET A 65 -4.168 -7.109 -1.956 1.00 0.32 H new ATOM 0 HB2 MET A 65 -6.545 -5.740 -3.280 1.00 0.34 H new ATOM 0 HB3 MET A 65 -5.722 -7.156 -3.904 1.00 0.34 H new ATOM 0 HG2 MET A 65 -6.379 -8.435 -1.883 1.00 0.36 H new ATOM 0 HG3 MET A 65 -7.192 -7.018 -1.247 1.00 0.36 H new ATOM 0 HE1 MET A 65 -8.470 -9.447 -4.955 1.00 1.54 H new ATOM 0 HE2 MET A 65 -7.356 -8.082 -5.204 1.00 1.54 H new ATOM 0 HE3 MET A 65 -6.875 -9.445 -4.165 1.00 1.54 H new ATOM 946 N CYS A 66 -3.621 -4.119 -2.878 1.00 0.32 N ATOM 947 CA CYS A 66 -2.822 -3.259 -3.744 1.00 0.34 C ATOM 948 C CYS A 66 -2.471 -1.958 -3.020 1.00 0.33 C ATOM 949 O CYS A 66 -3.086 -1.632 -2.004 1.00 0.32 O ATOM 950 CB CYS A 66 -3.598 -2.945 -5.024 1.00 0.35 C ATOM 951 SG CYS A 66 -4.875 -1.687 -4.814 1.00 0.32 S ATOM 0 H CYS A 66 -3.983 -3.664 -2.040 1.00 0.32 H new ATOM 0 HA CYS A 66 -1.900 -3.780 -4.001 1.00 0.34 H new ATOM 0 HB2 CYS A 66 -2.897 -2.613 -5.790 1.00 0.35 H new ATOM 0 HB3 CYS A 66 -4.061 -3.861 -5.391 1.00 0.35 H new ATOM 956 N PRO A 67 -1.487 -1.188 -3.536 1.00 0.35 N ATOM 957 CA PRO A 67 -1.062 0.084 -2.931 1.00 0.37 C ATOM 958 C PRO A 67 -2.048 1.235 -3.172 1.00 0.37 C ATOM 959 O PRO A 67 -1.656 2.404 -3.174 1.00 0.46 O ATOM 960 CB PRO A 67 0.281 0.391 -3.625 1.00 0.41 C ATOM 961 CG PRO A 67 0.632 -0.846 -4.383 1.00 0.42 C ATOM 962 CD PRO A 67 -0.680 -1.495 -4.724 1.00 0.38 C ATOM 0 HA PRO A 67 -0.997 -0.006 -1.847 1.00 0.37 H new ATOM 0 HB2 PRO A 67 0.190 1.248 -4.293 1.00 0.41 H new ATOM 0 HB3 PRO A 67 1.053 0.636 -2.895 1.00 0.41 H new ATOM 0 HG2 PRO A 67 1.197 -0.607 -5.284 1.00 0.42 H new ATOM 0 HG3 PRO A 67 1.254 -1.510 -3.783 1.00 0.42 H new ATOM 0 HD2 PRO A 67 -1.117 -1.081 -5.633 1.00 0.38 H new ATOM 0 HD3 PRO A 67 -0.576 -2.569 -4.881 1.00 0.38 H new ATOM 970 N SER A 68 -3.316 0.912 -3.395 1.00 0.33 N ATOM 971 CA SER A 68 -4.343 1.934 -3.532 1.00 0.33 C ATOM 972 C SER A 68 -5.046 2.163 -2.201 1.00 0.27 C ATOM 973 O SER A 68 -5.994 1.456 -1.850 1.00 0.40 O ATOM 974 CB SER A 68 -5.364 1.548 -4.602 1.00 0.37 C ATOM 975 OG SER A 68 -4.733 1.323 -5.851 1.00 0.46 O ATOM 0 H SER A 68 -3.656 -0.046 -3.484 1.00 0.33 H new ATOM 0 HA SER A 68 -3.856 2.859 -3.840 1.00 0.33 H new ATOM 0 HB2 SER A 68 -5.897 0.649 -4.293 1.00 0.37 H new ATOM 0 HB3 SER A 68 -6.106 2.340 -4.703 1.00 0.37 H new ATOM 0 HG SER A 68 -4.562 0.365 -5.963 1.00 0.46 H new ATOM 981 N SER A 69 -4.555 3.131 -1.459 1.00 0.21 N ATOM 982 CA SER A 69 -5.155 3.511 -0.198 1.00 0.17 C ATOM 983 C SER A 69 -6.000 4.771 -0.385 1.00 0.16 C ATOM 984 O SER A 69 -5.788 5.524 -1.339 1.00 0.18 O ATOM 985 CB SER A 69 -4.046 3.722 0.831 1.00 0.24 C ATOM 986 OG SER A 69 -2.907 4.313 0.228 1.00 0.38 O ATOM 0 H SER A 69 -3.731 3.676 -1.711 1.00 0.21 H new ATOM 0 HA SER A 69 -5.817 2.723 0.162 1.00 0.17 H new ATOM 0 HB2 SER A 69 -4.408 4.359 1.638 1.00 0.24 H new ATOM 0 HB3 SER A 69 -3.772 2.767 1.278 1.00 0.24 H new ATOM 0 HG SER A 69 -3.100 5.249 0.012 1.00 0.38 H new ATOM 992 N PHE A 70 -6.963 5.003 0.505 1.00 0.15 N ATOM 993 CA PHE A 70 -7.893 6.115 0.332 1.00 0.15 C ATOM 994 C PHE A 70 -8.041 6.914 1.622 1.00 0.16 C ATOM 995 O PHE A 70 -7.882 6.380 2.720 1.00 0.18 O ATOM 996 CB PHE A 70 -9.266 5.596 -0.111 1.00 0.16 C ATOM 997 CG PHE A 70 -9.235 4.785 -1.376 1.00 0.18 C ATOM 998 CD1 PHE A 70 -9.057 5.401 -2.606 1.00 0.21 C ATOM 999 CD2 PHE A 70 -9.387 3.408 -1.337 1.00 0.21 C ATOM 1000 CE1 PHE A 70 -9.029 4.659 -3.770 1.00 0.24 C ATOM 1001 CE2 PHE A 70 -9.361 2.661 -2.499 1.00 0.24 C ATOM 1002 CZ PHE A 70 -9.177 3.283 -3.715 1.00 0.25 C ATOM 0 H PHE A 70 -7.118 4.443 1.343 1.00 0.15 H new ATOM 0 HA PHE A 70 -7.488 6.772 -0.438 1.00 0.15 H new ATOM 0 HB2 PHE A 70 -9.688 4.987 0.688 1.00 0.16 H new ATOM 0 HB3 PHE A 70 -9.935 6.445 -0.252 1.00 0.16 H new ATOM 0 HD1 PHE A 70 -8.939 6.473 -2.654 1.00 0.21 H new ATOM 0 HD2 PHE A 70 -9.527 2.913 -0.387 1.00 0.21 H new ATOM 0 HE1 PHE A 70 -8.892 5.151 -4.722 1.00 0.24 H new ATOM 0 HE2 PHE A 70 -9.485 1.589 -2.454 1.00 0.24 H new ATOM 0 HZ PHE A 70 -9.148 2.699 -4.623 1.00 0.25 H new ATOM 1012 N CYS A 71 -8.335 8.201 1.478 1.00 0.18 N ATOM 1013 CA CYS A 71 -8.554 9.068 2.629 1.00 0.22 C ATOM 1014 C CYS A 71 -9.951 8.843 3.196 1.00 0.23 C ATOM 1015 O CYS A 71 -10.735 8.093 2.614 1.00 0.22 O ATOM 1016 CB CYS A 71 -8.374 10.540 2.237 1.00 0.26 C ATOM 1017 SG CYS A 71 -9.643 11.165 1.111 1.00 0.26 S ATOM 0 H CYS A 71 -8.427 8.667 0.575 1.00 0.18 H new ATOM 0 HA CYS A 71 -7.817 8.821 3.394 1.00 0.22 H new ATOM 0 HB2 CYS A 71 -8.375 11.148 3.141 1.00 0.26 H new ATOM 0 HB3 CYS A 71 -7.397 10.664 1.770 1.00 0.26 H new ATOM 1022 N LYS A 72 -10.267 9.488 4.310 1.00 0.29 N ATOM 1023 CA LYS A 72 -11.581 9.337 4.935 1.00 0.33 C ATOM 1024 C LYS A 72 -12.707 9.654 3.947 1.00 0.34 C ATOM 1025 O LYS A 72 -13.750 9.000 3.950 1.00 0.38 O ATOM 1026 CB LYS A 72 -11.694 10.231 6.170 1.00 0.40 C ATOM 1027 CG LYS A 72 -10.770 9.818 7.304 1.00 0.46 C ATOM 1028 CD LYS A 72 -10.919 10.725 8.511 1.00 0.60 C ATOM 1029 CE LYS A 72 -9.976 10.320 9.630 1.00 0.71 C ATOM 1030 NZ LYS A 72 -10.294 8.976 10.178 1.00 1.23 N ATOM 0 H LYS A 72 -9.636 10.120 4.802 1.00 0.29 H new ATOM 0 HA LYS A 72 -11.684 8.296 5.243 1.00 0.33 H new ATOM 0 HB2 LYS A 72 -11.471 11.259 5.886 1.00 0.40 H new ATOM 0 HB3 LYS A 72 -12.724 10.216 6.527 1.00 0.40 H new ATOM 0 HG2 LYS A 72 -10.987 8.790 7.593 1.00 0.46 H new ATOM 0 HG3 LYS A 72 -9.737 9.841 6.958 1.00 0.46 H new ATOM 0 HD2 LYS A 72 -10.718 11.756 8.220 1.00 0.60 H new ATOM 0 HD3 LYS A 72 -11.948 10.689 8.870 1.00 0.60 H new ATOM 0 HE2 LYS A 72 -8.951 10.325 9.258 1.00 0.71 H new ATOM 0 HE3 LYS A 72 -10.028 11.058 10.431 1.00 0.71 H new ATOM 0 HZ1 LYS A 72 -9.752 8.821 11.052 1.00 1.23 H new ATOM 0 HZ2 LYS A 72 -11.311 8.918 10.386 1.00 1.23 H new ATOM 0 HZ3 LYS A 72 -10.041 8.248 9.480 1.00 1.23 H new ATOM 1044 N GLN A 73 -12.473 10.633 3.086 1.00 0.33 N ATOM 1045 CA GLN A 73 -13.477 11.071 2.129 1.00 0.36 C ATOM 1046 C GLN A 73 -13.603 10.100 0.959 1.00 0.31 C ATOM 1047 O GLN A 73 -14.707 9.712 0.580 1.00 0.38 O ATOM 1048 CB GLN A 73 -13.129 12.463 1.610 1.00 0.41 C ATOM 1049 CG GLN A 73 -14.199 13.060 0.716 1.00 1.17 C ATOM 1050 CD GLN A 73 -13.846 14.454 0.235 1.00 1.67 C ATOM 1051 OE1 GLN A 73 -14.173 15.446 0.885 1.00 2.36 O ATOM 1052 NE2 GLN A 73 -13.173 14.539 -0.902 1.00 2.20 N ATOM 0 H GLN A 73 -11.591 11.142 3.031 1.00 0.33 H new ATOM 0 HA GLN A 73 -14.437 11.100 2.645 1.00 0.36 H new ATOM 0 HB2 GLN A 73 -12.963 13.127 2.458 1.00 0.41 H new ATOM 0 HB3 GLN A 73 -12.191 12.412 1.057 1.00 0.41 H new ATOM 0 HG2 GLN A 73 -14.351 12.410 -0.146 1.00 1.17 H new ATOM 0 HG3 GLN A 73 -15.143 13.095 1.260 1.00 1.17 H new ATOM 0 HE21 GLN A 73 -12.921 13.691 -1.410 1.00 2.20 H new ATOM 0 HE22 GLN A 73 -12.906 15.452 -1.270 1.00 2.20 H new ATOM 1061 N HIS A 74 -12.475 9.686 0.405 1.00 0.24 N ATOM 1062 CA HIS A 74 -12.483 8.909 -0.836 1.00 0.21 C ATOM 1063 C HIS A 74 -12.455 7.410 -0.582 1.00 0.19 C ATOM 1064 O HIS A 74 -12.104 6.636 -1.468 1.00 0.20 O ATOM 1065 CB HIS A 74 -11.304 9.302 -1.733 1.00 0.22 C ATOM 1066 CG HIS A 74 -11.383 10.709 -2.228 1.00 0.26 C ATOM 1067 ND1 HIS A 74 -10.267 11.497 -2.346 1.00 0.28 N ATOM 1068 CD2 HIS A 74 -12.469 11.414 -2.613 1.00 0.30 C ATOM 1069 CE1 HIS A 74 -10.698 12.664 -2.795 1.00 0.33 C ATOM 1070 NE2 HIS A 74 -12.030 12.660 -2.975 1.00 0.34 N ATOM 0 H HIS A 74 -11.547 9.870 0.786 1.00 0.24 H new ATOM 0 HA HIS A 74 -13.419 9.144 -1.343 1.00 0.21 H new ATOM 0 HB2 HIS A 74 -10.375 9.171 -1.179 1.00 0.22 H new ATOM 0 HB3 HIS A 74 -11.264 8.625 -2.587 1.00 0.22 H new ATOM 0 HD2 HIS A 74 -13.490 11.062 -2.632 1.00 0.30 H new ATOM 0 HE1 HIS A 74 -10.060 13.513 -2.992 1.00 0.33 H new ATOM 0 HE2 HIS A 74 -12.602 13.433 -3.315 1.00 0.34 H new ATOM 1078 N ARG A 75 -12.812 6.993 0.620 1.00 0.20 N ATOM 1079 CA ARG A 75 -12.873 5.570 0.923 1.00 0.20 C ATOM 1080 C ARG A 75 -14.293 5.036 0.793 1.00 0.23 C ATOM 1081 O ARG A 75 -14.493 3.838 0.589 1.00 0.25 O ATOM 1082 CB ARG A 75 -12.312 5.276 2.313 1.00 0.25 C ATOM 1083 CG ARG A 75 -13.054 5.943 3.454 1.00 0.31 C ATOM 1084 CD ARG A 75 -12.315 5.733 4.767 1.00 0.39 C ATOM 1085 NE ARG A 75 -13.001 6.344 5.903 1.00 0.53 N ATOM 1086 CZ ARG A 75 -12.839 5.945 7.165 1.00 0.77 C ATOM 1087 NH1 ARG A 75 -12.057 4.907 7.442 1.00 0.98 N ATOM 1088 NH2 ARG A 75 -13.470 6.574 8.149 1.00 0.92 N ATOM 0 H ARG A 75 -13.061 7.608 1.394 1.00 0.20 H new ATOM 0 HA ARG A 75 -12.251 5.055 0.191 1.00 0.20 H new ATOM 0 HB2 ARG A 75 -12.323 4.198 2.473 1.00 0.25 H new ATOM 0 HB3 ARG A 75 -11.269 5.592 2.343 1.00 0.25 H new ATOM 0 HG2 ARG A 75 -13.156 7.010 3.254 1.00 0.31 H new ATOM 0 HG3 ARG A 75 -14.062 5.534 3.528 1.00 0.31 H new ATOM 0 HD2 ARG A 75 -12.201 4.664 4.948 1.00 0.39 H new ATOM 0 HD3 ARG A 75 -11.312 6.151 4.686 1.00 0.39 H new ATOM 0 HE ARG A 75 -13.639 7.119 5.721 1.00 0.53 H new ATOM 0 HH11 ARG A 75 -11.579 4.413 6.688 1.00 0.98 H new ATOM 0 HH12 ARG A 75 -11.935 4.604 8.408 1.00 0.98 H new ATOM 0 HH21 ARG A 75 -14.080 7.364 7.940 1.00 0.92 H new ATOM 0 HH22 ARG A 75 -13.345 6.267 9.114 1.00 0.92 H new ATOM 1102 N GLU A 76 -15.274 5.926 0.885 1.00 0.27 N ATOM 1103 CA GLU A 76 -16.667 5.525 0.786 1.00 0.34 C ATOM 1104 C GLU A 76 -16.973 5.031 -0.624 1.00 0.32 C ATOM 1105 O GLU A 76 -16.750 5.749 -1.601 1.00 0.34 O ATOM 1106 CB GLU A 76 -17.594 6.691 1.143 1.00 0.43 C ATOM 1107 CG GLU A 76 -17.542 7.093 2.610 1.00 0.55 C ATOM 1108 CD GLU A 76 -18.501 8.218 2.943 1.00 1.02 C ATOM 1109 OE1 GLU A 76 -19.463 7.983 3.707 1.00 1.21 O ATOM 1110 OE2 GLU A 76 -18.302 9.345 2.447 1.00 1.65 O ATOM 0 H GLU A 76 -15.129 6.926 1.027 1.00 0.27 H new ATOM 0 HA GLU A 76 -16.841 4.715 1.494 1.00 0.34 H new ATOM 0 HB2 GLU A 76 -17.330 7.553 0.531 1.00 0.43 H new ATOM 0 HB3 GLU A 76 -18.618 6.420 0.887 1.00 0.43 H new ATOM 0 HG2 GLU A 76 -17.776 6.226 3.228 1.00 0.55 H new ATOM 0 HG3 GLU A 76 -16.527 7.400 2.863 1.00 0.55 H new ATOM 1117 N GLY A 77 -17.462 3.801 -0.727 1.00 0.37 N ATOM 1118 CA GLY A 77 -17.811 3.241 -2.021 1.00 0.42 C ATOM 1119 C GLY A 77 -16.604 2.814 -2.843 1.00 0.40 C ATOM 1120 O GLY A 77 -16.756 2.203 -3.900 1.00 0.58 O ATOM 0 H GLY A 77 -17.624 3.179 0.065 1.00 0.37 H new ATOM 0 HA2 GLY A 77 -18.462 2.380 -1.872 1.00 0.42 H new ATOM 0 HA3 GLY A 77 -18.382 3.978 -2.585 1.00 0.42 H new ATOM 1124 N MET A 78 -15.409 3.139 -2.368 1.00 0.29 N ATOM 1125 CA MET A 78 -14.187 2.803 -3.093 1.00 0.27 C ATOM 1126 C MET A 78 -13.510 1.575 -2.495 1.00 0.24 C ATOM 1127 O MET A 78 -12.805 0.843 -3.192 1.00 0.28 O ATOM 1128 CB MET A 78 -13.205 3.982 -3.088 1.00 0.29 C ATOM 1129 CG MET A 78 -13.712 5.215 -3.828 1.00 0.35 C ATOM 1130 SD MET A 78 -14.003 4.907 -5.584 1.00 0.58 S ATOM 1131 CE MET A 78 -12.362 4.436 -6.129 1.00 1.51 C ATOM 0 H MET A 78 -15.258 3.633 -1.488 1.00 0.29 H new ATOM 0 HA MET A 78 -14.472 2.581 -4.121 1.00 0.27 H new ATOM 0 HB2 MET A 78 -12.986 4.255 -2.056 1.00 0.29 H new ATOM 0 HB3 MET A 78 -12.266 3.661 -3.539 1.00 0.29 H new ATOM 0 HG2 MET A 78 -14.638 5.556 -3.365 1.00 0.35 H new ATOM 0 HG3 MET A 78 -12.987 6.021 -3.721 1.00 0.35 H new ATOM 0 HE1 MET A 78 -12.299 4.525 -7.214 1.00 1.51 H new ATOM 0 HE2 MET A 78 -11.623 5.092 -5.668 1.00 1.51 H new ATOM 0 HE3 MET A 78 -12.164 3.405 -5.838 1.00 1.51 H new ATOM 1141 N LEU A 79 -13.714 1.357 -1.203 1.00 0.24 N ATOM 1142 CA LEU A 79 -13.118 0.221 -0.527 1.00 0.22 C ATOM 1143 C LEU A 79 -14.207 -0.589 0.167 1.00 0.25 C ATOM 1144 O LEU A 79 -15.154 -0.023 0.716 1.00 0.32 O ATOM 1145 CB LEU A 79 -12.090 0.722 0.494 1.00 0.24 C ATOM 1146 CG LEU A 79 -11.042 -0.299 0.947 1.00 0.22 C ATOM 1147 CD1 LEU A 79 -10.159 -0.720 -0.215 1.00 0.21 C ATOM 1148 CD2 LEU A 79 -10.194 0.285 2.061 1.00 0.27 C ATOM 0 H LEU A 79 -14.287 1.953 -0.606 1.00 0.24 H new ATOM 0 HA LEU A 79 -12.615 -0.419 -1.252 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -11.571 1.580 0.067 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -12.625 1.079 1.374 1.00 0.24 H new ATOM 0 HG LEU A 79 -11.562 -1.182 1.319 1.00 0.22 H new ATOM 0 HD11 LEU A 79 -9.423 -1.445 0.132 1.00 0.21 H new ATOM 0 HD12 LEU A 79 -10.774 -1.171 -0.994 1.00 0.21 H new ATOM 0 HD13 LEU A 79 -9.646 0.154 -0.617 1.00 0.21 H new ATOM 0 HD21 LEU A 79 -9.452 -0.449 2.376 1.00 0.27 H new ATOM 0 HD22 LEU A 79 -9.688 1.181 1.702 1.00 0.27 H new ATOM 0 HD23 LEU A 79 -10.832 0.543 2.907 1.00 0.27 H new ATOM 1160 N PHE A 80 -14.077 -1.907 0.137 1.00 0.24 N ATOM 1161 CA PHE A 80 -15.050 -2.794 0.758 1.00 0.31 C ATOM 1162 C PHE A 80 -14.359 -4.056 1.264 1.00 0.31 C ATOM 1163 O PHE A 80 -13.227 -4.341 0.885 1.00 0.26 O ATOM 1164 CB PHE A 80 -16.158 -3.152 -0.251 1.00 0.37 C ATOM 1165 CG PHE A 80 -15.651 -3.751 -1.542 1.00 0.37 C ATOM 1166 CD1 PHE A 80 -15.441 -2.956 -2.663 1.00 0.36 C ATOM 1167 CD2 PHE A 80 -15.383 -5.110 -1.635 1.00 0.42 C ATOM 1168 CE1 PHE A 80 -14.975 -3.507 -3.841 1.00 0.40 C ATOM 1169 CE2 PHE A 80 -14.918 -5.661 -2.814 1.00 0.46 C ATOM 1170 CZ PHE A 80 -14.713 -4.858 -3.916 1.00 0.45 C ATOM 0 H PHE A 80 -13.300 -2.389 -0.315 1.00 0.24 H new ATOM 0 HA PHE A 80 -15.506 -2.284 1.607 1.00 0.31 H new ATOM 0 HB2 PHE A 80 -16.846 -3.856 0.217 1.00 0.37 H new ATOM 0 HB3 PHE A 80 -16.729 -2.252 -0.481 1.00 0.37 H new ATOM 0 HD1 PHE A 80 -15.644 -1.897 -2.612 1.00 0.36 H new ATOM 0 HD2 PHE A 80 -15.540 -5.745 -0.775 1.00 0.42 H new ATOM 0 HE1 PHE A 80 -14.816 -2.878 -4.704 1.00 0.40 H new ATOM 0 HE2 PHE A 80 -14.715 -6.720 -2.872 1.00 0.46 H new ATOM 0 HZ PHE A 80 -14.347 -5.287 -4.837 1.00 0.45 H new ATOM 1180 N ILE A 81 -15.032 -4.800 2.126 1.00 0.38 N ATOM 1181 CA ILE A 81 -14.487 -6.046 2.647 1.00 0.38 C ATOM 1182 C ILE A 81 -14.821 -7.213 1.726 1.00 0.42 C ATOM 1183 O ILE A 81 -15.987 -7.447 1.399 1.00 0.47 O ATOM 1184 CB ILE A 81 -15.009 -6.346 4.071 1.00 0.45 C ATOM 1185 CG1 ILE A 81 -14.364 -5.404 5.089 1.00 0.46 C ATOM 1186 CG2 ILE A 81 -14.741 -7.793 4.456 1.00 0.48 C ATOM 1187 CD1 ILE A 81 -12.882 -5.650 5.288 1.00 0.44 C ATOM 0 H ILE A 81 -15.958 -4.564 2.481 1.00 0.38 H new ATOM 0 HA ILE A 81 -13.405 -5.925 2.695 1.00 0.38 H new ATOM 0 HB ILE A 81 -16.087 -6.183 4.074 1.00 0.45 H new ATOM 0 HG12 ILE A 81 -14.513 -4.374 4.764 1.00 0.46 H new ATOM 0 HG13 ILE A 81 -14.874 -5.513 6.046 1.00 0.46 H new ATOM 0 HG21 ILE A 81 -15.118 -7.978 5.462 1.00 0.48 H new ATOM 0 HG22 ILE A 81 -15.245 -8.456 3.752 1.00 0.48 H new ATOM 0 HG23 ILE A 81 -13.668 -7.984 4.430 1.00 0.48 H new ATOM 0 HD11 ILE A 81 -12.492 -4.946 6.023 1.00 0.44 H new ATOM 0 HD12 ILE A 81 -12.727 -6.669 5.643 1.00 0.44 H new ATOM 0 HD13 ILE A 81 -12.360 -5.513 4.341 1.00 0.44 H new ATOM 1199 N SER A 82 -13.788 -7.935 1.312 1.00 0.41 N ATOM 1200 CA SER A 82 -13.953 -9.111 0.480 1.00 0.47 C ATOM 1201 C SER A 82 -14.611 -10.224 1.278 1.00 0.54 C ATOM 1202 O SER A 82 -14.182 -10.547 2.382 1.00 0.61 O ATOM 1203 CB SER A 82 -12.596 -9.582 -0.052 1.00 0.57 C ATOM 1204 OG SER A 82 -12.713 -10.818 -0.737 1.00 0.79 O ATOM 0 H SER A 82 -12.818 -7.720 1.544 1.00 0.41 H new ATOM 0 HA SER A 82 -14.591 -8.853 -0.366 1.00 0.47 H new ATOM 0 HB2 SER A 82 -12.185 -8.829 -0.724 1.00 0.57 H new ATOM 0 HB3 SER A 82 -11.895 -9.687 0.776 1.00 0.57 H new ATOM 0 HG SER A 82 -11.832 -11.094 -1.067 1.00 0.79 H new ATOM 1210 N LYS A 83 -15.659 -10.798 0.720 1.00 0.65 N ATOM 1211 CA LYS A 83 -16.365 -11.891 1.370 1.00 0.80 C ATOM 1212 C LYS A 83 -15.545 -13.175 1.299 1.00 0.81 C ATOM 1213 O LYS A 83 -15.819 -14.139 2.009 1.00 0.91 O ATOM 1214 CB LYS A 83 -17.731 -12.094 0.722 1.00 0.98 C ATOM 1215 CG LYS A 83 -18.626 -10.870 0.825 1.00 1.06 C ATOM 1216 CD LYS A 83 -19.969 -11.099 0.156 1.00 1.34 C ATOM 1217 CE LYS A 83 -20.826 -9.844 0.190 1.00 2.08 C ATOM 1218 NZ LYS A 83 -22.139 -10.052 -0.473 1.00 2.62 N ATOM 0 H LYS A 83 -16.043 -10.526 -0.185 1.00 0.65 H new ATOM 0 HA LYS A 83 -16.511 -11.636 2.420 1.00 0.80 H new ATOM 0 HB2 LYS A 83 -17.594 -12.349 -0.329 1.00 0.98 H new ATOM 0 HB3 LYS A 83 -18.228 -12.941 1.194 1.00 0.98 H new ATOM 0 HG2 LYS A 83 -18.780 -10.619 1.874 1.00 1.06 H new ATOM 0 HG3 LYS A 83 -18.130 -10.016 0.363 1.00 1.06 H new ATOM 0 HD2 LYS A 83 -19.814 -11.408 -0.878 1.00 1.34 H new ATOM 0 HD3 LYS A 83 -20.493 -11.913 0.657 1.00 1.34 H new ATOM 0 HE2 LYS A 83 -20.986 -9.541 1.225 1.00 2.08 H new ATOM 0 HE3 LYS A 83 -20.296 -9.029 -0.302 1.00 2.08 H new ATOM 0 HZ1 LYS A 83 -22.693 -9.173 -0.429 1.00 2.62 H new ATOM 0 HZ2 LYS A 83 -21.988 -10.316 -1.467 1.00 2.62 H new ATOM 0 HZ3 LYS A 83 -22.656 -10.813 0.012 1.00 2.62 H new ATOM 1232 N LEU A 84 -14.537 -13.172 0.437 1.00 0.76 N ATOM 1233 CA LEU A 84 -13.685 -14.334 0.250 1.00 0.81 C ATOM 1234 C LEU A 84 -12.555 -14.356 1.274 1.00 0.76 C ATOM 1235 O LEU A 84 -12.395 -15.321 2.018 1.00 0.81 O ATOM 1236 CB LEU A 84 -13.092 -14.353 -1.165 1.00 0.90 C ATOM 1237 CG LEU A 84 -14.062 -14.696 -2.307 1.00 1.05 C ATOM 1238 CD1 LEU A 84 -14.735 -16.036 -2.056 1.00 1.34 C ATOM 1239 CD2 LEU A 84 -15.104 -13.606 -2.495 1.00 1.25 C ATOM 0 H LEU A 84 -14.290 -12.372 -0.146 1.00 0.76 H new ATOM 0 HA LEU A 84 -14.305 -15.220 0.390 1.00 0.81 H new ATOM 0 HB2 LEU A 84 -12.659 -13.373 -1.367 1.00 0.90 H new ATOM 0 HB3 LEU A 84 -12.274 -15.073 -1.183 1.00 0.90 H new ATOM 0 HG LEU A 84 -13.479 -14.765 -3.226 1.00 1.05 H new ATOM 0 HD11 LEU A 84 -15.417 -16.260 -2.876 1.00 1.34 H new ATOM 0 HD12 LEU A 84 -13.978 -16.817 -1.991 1.00 1.34 H new ATOM 0 HD13 LEU A 84 -15.293 -15.993 -1.121 1.00 1.34 H new ATOM 0 HD21 LEU A 84 -15.774 -13.880 -3.310 1.00 1.25 H new ATOM 0 HD22 LEU A 84 -15.679 -13.490 -1.576 1.00 1.25 H new ATOM 0 HD23 LEU A 84 -14.608 -12.665 -2.734 1.00 1.25 H new ATOM 1251 N ASP A 85 -11.780 -13.279 1.313 1.00 0.72 N ATOM 1252 CA ASP A 85 -10.587 -13.231 2.158 1.00 0.75 C ATOM 1253 C ASP A 85 -10.779 -12.364 3.393 1.00 0.66 C ATOM 1254 O ASP A 85 -9.952 -12.384 4.303 1.00 0.70 O ATOM 1255 CB ASP A 85 -9.378 -12.713 1.370 1.00 0.85 C ATOM 1256 CG ASP A 85 -8.827 -13.732 0.398 1.00 1.04 C ATOM 1257 OD1 ASP A 85 -8.036 -14.601 0.820 1.00 1.47 O ATOM 1258 OD2 ASP A 85 -9.190 -13.671 -0.794 1.00 1.42 O ATOM 0 H ASP A 85 -11.952 -12.430 0.774 1.00 0.72 H new ATOM 0 HA ASP A 85 -10.408 -14.255 2.485 1.00 0.75 H new ATOM 0 HB2 ASP A 85 -9.665 -11.815 0.823 1.00 0.85 H new ATOM 0 HB3 ASP A 85 -8.593 -12.423 2.068 1.00 0.85 H new ATOM 1263 N GLY A 86 -11.855 -11.590 3.420 1.00 0.59 N ATOM 1264 CA GLY A 86 -12.082 -10.672 4.525 1.00 0.56 C ATOM 1265 C GLY A 86 -11.177 -9.462 4.446 1.00 0.48 C ATOM 1266 O GLY A 86 -11.140 -8.635 5.357 1.00 0.50 O ATOM 0 H GLY A 86 -12.576 -11.579 2.699 1.00 0.59 H new ATOM 0 HA2 GLY A 86 -13.123 -10.348 4.520 1.00 0.56 H new ATOM 0 HA3 GLY A 86 -11.914 -11.191 5.469 1.00 0.56 H new ATOM 1270 N ARG A 87 -10.450 -9.364 3.347 1.00 0.43 N ATOM 1271 CA ARG A 87 -9.514 -8.277 3.132 1.00 0.39 C ATOM 1272 C ARG A 87 -10.219 -7.078 2.519 1.00 0.33 C ATOM 1273 O ARG A 87 -11.207 -7.234 1.800 1.00 0.36 O ATOM 1274 CB ARG A 87 -8.391 -8.739 2.205 1.00 0.46 C ATOM 1275 CG ARG A 87 -7.464 -9.770 2.828 1.00 0.58 C ATOM 1276 CD ARG A 87 -6.400 -10.211 1.841 1.00 0.96 C ATOM 1277 NE ARG A 87 -5.470 -11.183 2.417 1.00 1.25 N ATOM 1278 CZ ARG A 87 -4.774 -12.066 1.696 1.00 1.81 C ATOM 1279 NH1 ARG A 87 -4.943 -12.134 0.382 1.00 2.25 N ATOM 1280 NH2 ARG A 87 -3.916 -12.886 2.293 1.00 2.10 N ATOM 0 H ARG A 87 -10.492 -10.035 2.580 1.00 0.43 H new ATOM 0 HA ARG A 87 -9.096 -7.983 4.095 1.00 0.39 H new ATOM 0 HB2 ARG A 87 -8.830 -9.159 1.300 1.00 0.46 H new ATOM 0 HB3 ARG A 87 -7.803 -7.872 1.902 1.00 0.46 H new ATOM 0 HG2 ARG A 87 -6.990 -9.349 3.715 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -8.042 -10.634 3.155 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -6.880 -10.647 0.965 1.00 0.96 H new ATOM 0 HD3 ARG A 87 -5.843 -9.339 1.498 1.00 0.96 H new ATOM 0 HE ARG A 87 -5.346 -11.186 3.429 1.00 1.25 H new ATOM 0 HH11 ARG A 87 -5.606 -11.511 -0.080 1.00 2.25 H new ATOM 0 HH12 ARG A 87 -4.410 -12.809 -0.166 1.00 2.25 H new ATOM 0 HH21 ARG A 87 -3.788 -12.842 3.304 1.00 2.10 H new ATOM 0 HH22 ARG A 87 -3.386 -13.560 1.740 1.00 2.10 H new ATOM 1294 N LEU A 88 -9.721 -5.892 2.823 1.00 0.28 N ATOM 1295 CA LEU A 88 -10.225 -4.674 2.212 1.00 0.26 C ATOM 1296 C LEU A 88 -9.819 -4.626 0.747 1.00 0.24 C ATOM 1297 O LEU A 88 -8.633 -4.642 0.426 1.00 0.28 O ATOM 1298 CB LEU A 88 -9.683 -3.445 2.939 1.00 0.27 C ATOM 1299 CG LEU A 88 -10.274 -3.183 4.321 1.00 0.35 C ATOM 1300 CD1 LEU A 88 -9.363 -2.266 5.121 1.00 0.44 C ATOM 1301 CD2 LEU A 88 -11.658 -2.566 4.195 1.00 0.44 C ATOM 0 H LEU A 88 -8.965 -5.746 3.492 1.00 0.28 H new ATOM 0 HA LEU A 88 -11.312 -4.672 2.287 1.00 0.26 H new ATOM 0 HB2 LEU A 88 -8.603 -3.551 3.040 1.00 0.27 H new ATOM 0 HB3 LEU A 88 -9.860 -2.569 2.316 1.00 0.27 H new ATOM 0 HG LEU A 88 -10.361 -4.134 4.846 1.00 0.35 H new ATOM 0 HD11 LEU A 88 -9.798 -2.088 6.104 1.00 0.44 H new ATOM 0 HD12 LEU A 88 -8.385 -2.734 5.236 1.00 0.44 H new ATOM 0 HD13 LEU A 88 -9.251 -1.317 4.597 1.00 0.44 H new ATOM 0 HD21 LEU A 88 -12.067 -2.385 5.189 1.00 0.44 H new ATOM 0 HD22 LEU A 88 -11.588 -1.623 3.654 1.00 0.44 H new ATOM 0 HD23 LEU A 88 -12.312 -3.248 3.652 1.00 0.44 H new ATOM 1313 N SER A 89 -10.800 -4.577 -0.130 1.00 0.22 N ATOM 1314 CA SER A 89 -10.549 -4.594 -1.557 1.00 0.23 C ATOM 1315 C SER A 89 -11.140 -3.347 -2.209 1.00 0.21 C ATOM 1316 O SER A 89 -12.253 -2.935 -1.881 1.00 0.22 O ATOM 1317 CB SER A 89 -11.148 -5.861 -2.174 1.00 0.28 C ATOM 1318 OG SER A 89 -10.712 -6.047 -3.510 1.00 0.55 O ATOM 0 H SER A 89 -11.787 -4.525 0.123 1.00 0.22 H new ATOM 0 HA SER A 89 -9.473 -4.596 -1.732 1.00 0.23 H new ATOM 0 HB2 SER A 89 -10.866 -6.727 -1.575 1.00 0.28 H new ATOM 0 HB3 SER A 89 -12.236 -5.798 -2.151 1.00 0.28 H new ATOM 0 HG SER A 89 -10.191 -6.875 -3.572 1.00 0.55 H new ATOM 1324 N CYS A 90 -10.368 -2.726 -3.091 1.00 0.22 N ATOM 1325 CA CYS A 90 -10.809 -1.523 -3.787 1.00 0.24 C ATOM 1326 C CYS A 90 -11.608 -1.895 -5.036 1.00 0.27 C ATOM 1327 O CYS A 90 -11.570 -3.042 -5.487 1.00 0.31 O ATOM 1328 CB CYS A 90 -9.598 -0.660 -4.172 1.00 0.25 C ATOM 1329 SG CYS A 90 -8.556 -1.383 -5.461 1.00 0.28 S ATOM 0 H CYS A 90 -9.430 -3.037 -3.343 1.00 0.22 H new ATOM 0 HA CYS A 90 -11.452 -0.950 -3.119 1.00 0.24 H new ATOM 0 HB2 CYS A 90 -9.952 0.314 -4.510 1.00 0.25 H new ATOM 0 HB3 CYS A 90 -8.991 -0.488 -3.283 1.00 0.25 H new ATOM 1334 N THR A 91 -12.313 -0.914 -5.600 1.00 0.30 N ATOM 1335 CA THR A 91 -13.169 -1.130 -6.764 1.00 0.36 C ATOM 1336 C THR A 91 -12.366 -1.339 -8.050 1.00 0.43 C ATOM 1337 O THR A 91 -12.935 -1.438 -9.137 1.00 0.54 O ATOM 1338 CB THR A 91 -14.122 0.060 -6.962 1.00 0.39 C ATOM 1339 OG1 THR A 91 -13.387 1.288 -6.875 1.00 0.43 O ATOM 1340 CG2 THR A 91 -15.233 0.049 -5.924 1.00 0.38 C ATOM 0 H THR A 91 -12.306 0.049 -5.264 1.00 0.30 H new ATOM 0 HA THR A 91 -13.737 -2.039 -6.565 1.00 0.36 H new ATOM 0 HB THR A 91 -14.577 -0.025 -7.949 1.00 0.39 H new ATOM 0 HG1 THR A 91 -13.997 2.044 -7.003 1.00 0.43 H new ATOM 0 HG21 THR A 91 -15.892 0.902 -6.088 1.00 0.38 H new ATOM 0 HG22 THR A 91 -15.805 -0.874 -6.013 1.00 0.38 H new ATOM 0 HG23 THR A 91 -14.799 0.112 -4.926 1.00 0.38 H new ATOM 1348 N GLU A 92 -11.048 -1.404 -7.923 1.00 0.43 N ATOM 1349 CA GLU A 92 -10.173 -1.606 -9.069 1.00 0.52 C ATOM 1350 C GLU A 92 -9.850 -3.086 -9.248 1.00 0.51 C ATOM 1351 O GLU A 92 -8.946 -3.445 -10.001 1.00 0.63 O ATOM 1352 CB GLU A 92 -8.871 -0.824 -8.882 1.00 0.56 C ATOM 1353 CG GLU A 92 -9.046 0.686 -8.826 1.00 0.66 C ATOM 1354 CD GLU A 92 -9.363 1.290 -10.179 1.00 1.38 C ATOM 1355 OE1 GLU A 92 -10.457 1.878 -10.327 1.00 2.13 O ATOM 1356 OE2 GLU A 92 -8.535 1.159 -11.107 1.00 1.54 O ATOM 0 H GLU A 92 -10.559 -1.319 -7.032 1.00 0.43 H new ATOM 0 HA GLU A 92 -10.691 -1.246 -9.958 1.00 0.52 H new ATOM 0 HB2 GLU A 92 -8.391 -1.156 -7.961 1.00 0.56 H new ATOM 0 HB3 GLU A 92 -8.194 -1.069 -9.700 1.00 0.56 H new ATOM 0 HG2 GLU A 92 -9.847 0.929 -8.128 1.00 0.66 H new ATOM 0 HG3 GLU A 92 -8.135 1.139 -8.435 1.00 0.66 H new ATOM 1363 N HIS A 93 -10.583 -3.946 -8.551 1.00 0.49 N ATOM 1364 CA HIS A 93 -10.279 -5.374 -8.557 1.00 0.53 C ATOM 1365 C HIS A 93 -11.467 -6.201 -9.034 1.00 0.67 C ATOM 1366 O HIS A 93 -11.876 -7.160 -8.376 1.00 0.85 O ATOM 1367 CB HIS A 93 -9.861 -5.846 -7.161 1.00 0.45 C ATOM 1368 CG HIS A 93 -8.605 -5.217 -6.644 1.00 0.37 C ATOM 1369 ND1 HIS A 93 -7.712 -4.508 -7.417 1.00 0.39 N ATOM 1370 CD2 HIS A 93 -8.102 -5.203 -5.388 1.00 0.33 C ATOM 1371 CE1 HIS A 93 -6.720 -4.089 -6.620 1.00 0.36 C ATOM 1372 NE2 HIS A 93 -6.909 -4.487 -5.374 1.00 0.32 N ATOM 0 H HIS A 93 -11.386 -3.684 -7.979 1.00 0.49 H new ATOM 0 HA HIS A 93 -9.453 -5.521 -9.253 1.00 0.53 H new ATOM 0 HB2 HIS A 93 -10.671 -5.637 -6.463 1.00 0.45 H new ATOM 0 HB3 HIS A 93 -9.729 -6.928 -7.181 1.00 0.45 H new ATOM 0 HD1 HIS A 93 -7.792 -4.333 -8.419 1.00 0.39 H new ATOM 0 HD2 HIS A 93 -8.556 -5.675 -4.529 1.00 0.33 H new ATOM 0 HE1 HIS A 93 -5.876 -3.503 -6.952 1.00 0.36 H new ATOM 1380 N ASP A 94 -12.019 -5.830 -10.173 1.00 0.83 N ATOM 1381 CA ASP A 94 -13.116 -6.585 -10.765 1.00 1.02 C ATOM 1382 C ASP A 94 -12.579 -7.627 -11.729 1.00 1.33 C ATOM 1383 O ASP A 94 -12.260 -7.273 -12.880 1.00 1.92 O ATOM 1384 CB ASP A 94 -14.112 -5.669 -11.479 1.00 1.54 C ATOM 1385 CG ASP A 94 -15.116 -5.058 -10.528 1.00 2.05 C ATOM 1386 OD1 ASP A 94 -16.166 -5.687 -10.281 1.00 2.40 O ATOM 1387 OD2 ASP A 94 -14.865 -3.949 -10.017 1.00 2.65 O ATOM 1388 OXT ASP A 94 -12.462 -8.803 -11.327 1.00 1.91 O ATOM 0 H ASP A 94 -11.729 -5.012 -10.709 1.00 0.83 H new ATOM 0 HA ASP A 94 -13.646 -7.086 -9.955 1.00 1.02 H new ATOM 0 HB2 ASP A 94 -13.569 -4.874 -11.990 1.00 1.54 H new ATOM 0 HB3 ASP A 94 -14.640 -6.237 -12.245 1.00 1.54 H new TER 1393 ASP A 94 HETATM 1394 ZN ZN A 101 6.846 -4.714 -6.897 1.00 0.35 ZN HETATM 1395 ZN ZN A 102 4.238 2.903 5.075 1.00 0.29 ZN HETATM 1396 ZN ZN A 103 -8.780 11.355 -1.011 1.00 0.26 ZN HETATM 1397 ZN ZN A 104 -6.914 -2.683 -4.517 1.00 0.27 ZN