USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=27 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 89 SER OG : rot 116:sc= 1.43 USER MOD Set 1.2: A 93 HIS : no HE2:sc= -2.37! C(o=-0.93!,f=-2.9!) USER MOD Single : A 1 GLY N :NH3+ 162:sc= 1.26 (180deg=1.06) USER MOD Single : A 3 MET CE :methyl 131:sc= -0.0231 (180deg=-0.329) USER MOD Single : A 11 SER OG : rot 180:sc= -0.0693 USER MOD Single : A 17 GLN :FLIP amide:sc=-0.000745 F(o=-1.1,f=-0.00075) USER MOD Single : A 20 SER OG : rot -160:sc= -0.0586 USER MOD Single : A 22 LYS NZ :NH3+ -162:sc= -0.0311 (180deg=-0.345) USER MOD Single : A 23 LYS NZ :NH3+ -171:sc=-0.00475 (180deg=-0.101) USER MOD Single : A 28 LYS NZ :NH3+ 161:sc= 1.19 (180deg=0.892) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -151:sc= -1.2 (180deg=-2.62!) USER MOD Single : A 44 LYS NZ :NH3+ 134:sc= -0.05 (180deg=-0.297) USER MOD Single : A 50 HIS :FLIP no HD1:sc= -1.46 F(o=-2,f=-1.5) USER MOD Single : A 51 GLN : amide:sc= 0.697 K(o=0.7,f=-1.2) USER MOD Single : A 57 LYS NZ :NH3+ 149:sc= -0.0367 (180deg=-0.48) USER MOD Single : A 61 SER OG : rot -70:sc= -0.028 USER MOD Single : A 65 MET CE :methyl 161:sc= -0.118 (180deg=-0.547) USER MOD Single : A 68 SER OG : rot 95:sc= 1.13 USER MOD Single : A 69 SER OG : rot 65:sc= 1.29 USER MOD Single : A 72 LYS NZ :NH3+ 166:sc=-0.00682 (180deg=-0.213) USER MOD Single : A 73 GLN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 78 MET CE :methyl -161:sc= -0.0951 (180deg=-0.577) USER MOD Single : A 82 SER OG : rot 160:sc= 0.848 USER MOD Single : A 83 LYS NZ :NH3+ -164:sc= -0.0661 (180deg=-0.343) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0262 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.054 -11.261 11.870 1.00 6.55 N ATOM 2 CA GLY A 1 0.732 -9.813 11.807 1.00 6.13 C ATOM 3 C GLY A 1 1.371 -9.029 12.936 1.00 5.56 C ATOM 4 O GLY A 1 0.700 -8.258 13.625 1.00 5.62 O ATOM 0 H1 GLY A 1 0.375 -11.793 11.289 1.00 6.55 H new ATOM 0 H2 GLY A 1 2.017 -11.419 11.510 1.00 6.55 H new ATOM 0 H3 GLY A 1 0.996 -11.587 12.856 1.00 6.55 H new ATOM 0 HA2 GLY A 1 1.069 -9.410 10.852 1.00 6.13 H new ATOM 0 HA3 GLY A 1 -0.349 -9.682 11.844 1.00 6.13 H new ATOM 10 N ALA A 2 2.668 -9.219 13.131 1.00 5.41 N ATOM 11 CA ALA A 2 3.384 -8.545 14.205 1.00 5.31 C ATOM 12 C ALA A 2 4.545 -7.726 13.656 1.00 4.43 C ATOM 13 O ALA A 2 5.704 -7.994 13.975 1.00 4.77 O ATOM 14 CB ALA A 2 3.886 -9.562 15.216 1.00 6.37 C ATOM 0 H ALA A 2 3.246 -9.835 12.559 1.00 5.41 H new ATOM 0 HA ALA A 2 2.694 -7.863 14.702 1.00 5.31 H new ATOM 0 HB1 ALA A 2 4.420 -9.048 16.015 1.00 6.37 H new ATOM 0 HB2 ALA A 2 3.040 -10.105 15.636 1.00 6.37 H new ATOM 0 HB3 ALA A 2 4.559 -10.264 14.723 1.00 6.37 H new ATOM 20 N MET A 3 4.225 -6.736 12.820 1.00 3.71 N ATOM 21 CA MET A 3 5.244 -5.890 12.187 1.00 3.29 C ATOM 22 C MET A 3 6.209 -6.744 11.372 1.00 2.27 C ATOM 23 O MET A 3 7.394 -6.433 11.258 1.00 2.62 O ATOM 24 CB MET A 3 6.026 -5.070 13.231 1.00 3.97 C ATOM 25 CG MET A 3 5.290 -3.846 13.769 1.00 4.59 C ATOM 26 SD MET A 3 3.777 -4.249 14.668 1.00 5.49 S ATOM 27 CE MET A 3 4.443 -5.088 16.105 1.00 6.18 C ATOM 0 H MET A 3 3.267 -6.499 12.564 1.00 3.71 H new ATOM 0 HA MET A 3 4.730 -5.193 11.525 1.00 3.29 H new ATOM 0 HB2 MET A 3 6.279 -5.721 14.068 1.00 3.97 H new ATOM 0 HB3 MET A 3 6.966 -4.744 12.786 1.00 3.97 H new ATOM 0 HG2 MET A 3 5.958 -3.292 14.429 1.00 4.59 H new ATOM 0 HG3 MET A 3 5.044 -3.186 12.937 1.00 4.59 H new ATOM 0 HE1 MET A 3 3.996 -4.673 17.008 1.00 6.18 H new ATOM 0 HE2 MET A 3 4.215 -6.152 16.043 1.00 6.18 H new ATOM 0 HE3 MET A 3 5.524 -4.950 16.138 1.00 6.18 H new ATOM 37 N GLU A 4 5.682 -7.816 10.802 1.00 1.66 N ATOM 38 CA GLU A 4 6.490 -8.793 10.090 1.00 1.27 C ATOM 39 C GLU A 4 6.582 -8.446 8.612 1.00 1.17 C ATOM 40 O GLU A 4 5.715 -8.817 7.820 1.00 1.64 O ATOM 41 CB GLU A 4 5.888 -10.185 10.262 1.00 2.01 C ATOM 42 CG GLU A 4 5.734 -10.599 11.712 1.00 2.51 C ATOM 43 CD GLU A 4 4.935 -11.871 11.868 1.00 3.17 C ATOM 44 OE1 GLU A 4 3.690 -11.801 11.868 1.00 3.76 O ATOM 45 OE2 GLU A 4 5.554 -12.953 11.988 1.00 3.52 O ATOM 0 H GLU A 4 4.685 -8.033 10.820 1.00 1.66 H new ATOM 0 HA GLU A 4 7.497 -8.779 10.508 1.00 1.27 H new ATOM 0 HB2 GLU A 4 4.912 -10.213 9.778 1.00 2.01 H new ATOM 0 HB3 GLU A 4 6.519 -10.911 9.749 1.00 2.01 H new ATOM 0 HG2 GLU A 4 6.721 -10.737 12.154 1.00 2.51 H new ATOM 0 HG3 GLU A 4 5.246 -9.797 12.266 1.00 2.51 H new ATOM 52 N ARG A 5 7.629 -7.722 8.253 1.00 0.96 N ATOM 53 CA ARG A 5 7.873 -7.363 6.868 1.00 0.91 C ATOM 54 C ARG A 5 8.261 -8.602 6.073 1.00 0.81 C ATOM 55 O ARG A 5 9.218 -9.292 6.427 1.00 0.84 O ATOM 56 CB ARG A 5 8.995 -6.330 6.789 1.00 0.98 C ATOM 57 CG ARG A 5 9.198 -5.742 5.402 1.00 1.45 C ATOM 58 CD ARG A 5 10.549 -5.061 5.287 1.00 1.50 C ATOM 59 NE ARG A 5 10.762 -4.071 6.339 1.00 2.16 N ATOM 60 CZ ARG A 5 11.779 -4.107 7.204 1.00 2.56 C ATOM 61 NH1 ARG A 5 12.679 -5.084 7.146 1.00 2.34 N ATOM 62 NH2 ARG A 5 11.899 -3.163 8.127 1.00 3.55 N ATOM 0 H ARG A 5 8.327 -7.370 8.908 1.00 0.96 H new ATOM 0 HA ARG A 5 6.963 -6.937 6.447 1.00 0.91 H new ATOM 0 HB2 ARG A 5 8.780 -5.521 7.487 1.00 0.98 H new ATOM 0 HB3 ARG A 5 9.926 -6.794 7.115 1.00 0.98 H new ATOM 0 HG2 ARG A 5 9.121 -6.532 4.655 1.00 1.45 H new ATOM 0 HG3 ARG A 5 8.406 -5.024 5.189 1.00 1.45 H new ATOM 0 HD2 ARG A 5 11.337 -5.812 5.333 1.00 1.50 H new ATOM 0 HD3 ARG A 5 10.627 -4.576 4.314 1.00 1.50 H new ATOM 0 HE ARG A 5 10.093 -3.305 6.418 1.00 2.16 H new ATOM 0 HH11 ARG A 5 12.596 -5.813 6.437 1.00 2.34 H new ATOM 0 HH12 ARG A 5 13.453 -5.105 7.810 1.00 2.34 H new ATOM 0 HH21 ARG A 5 11.214 -2.409 8.177 1.00 3.55 H new ATOM 0 HH22 ARG A 5 12.676 -3.191 8.787 1.00 3.55 H new ATOM 76 N GLU A 6 7.523 -8.893 5.016 1.00 0.77 N ATOM 77 CA GLU A 6 7.831 -10.043 4.179 1.00 0.72 C ATOM 78 C GLU A 6 8.874 -9.670 3.135 1.00 0.62 C ATOM 79 O GLU A 6 8.902 -8.541 2.650 1.00 0.73 O ATOM 80 CB GLU A 6 6.569 -10.596 3.493 1.00 0.85 C ATOM 81 CG GLU A 6 5.780 -9.579 2.676 1.00 1.17 C ATOM 82 CD GLU A 6 4.874 -8.714 3.529 1.00 1.78 C ATOM 83 OE1 GLU A 6 5.321 -7.637 3.985 1.00 2.22 O ATOM 84 OE2 GLU A 6 3.710 -9.093 3.736 1.00 2.46 O ATOM 0 H GLU A 6 6.711 -8.354 4.717 1.00 0.77 H new ATOM 0 HA GLU A 6 8.232 -10.826 4.823 1.00 0.72 H new ATOM 0 HB2 GLU A 6 6.860 -11.418 2.839 1.00 0.85 H new ATOM 0 HB3 GLU A 6 5.913 -11.014 4.256 1.00 0.85 H new ATOM 0 HG2 GLU A 6 6.475 -8.941 2.130 1.00 1.17 H new ATOM 0 HG3 GLU A 6 5.179 -10.104 1.934 1.00 1.17 H new ATOM 91 N ASP A 7 9.753 -10.607 2.813 1.00 0.54 N ATOM 92 CA ASP A 7 10.728 -10.394 1.750 1.00 0.53 C ATOM 93 C ASP A 7 10.070 -10.678 0.410 1.00 0.46 C ATOM 94 O ASP A 7 10.384 -11.655 -0.270 1.00 0.55 O ATOM 95 CB ASP A 7 11.968 -11.272 1.947 1.00 0.71 C ATOM 96 CG ASP A 7 13.056 -10.990 0.925 1.00 1.68 C ATOM 97 OD1 ASP A 7 13.387 -11.905 0.138 1.00 2.36 O ATOM 98 OD2 ASP A 7 13.596 -9.860 0.911 1.00 2.34 O ATOM 0 H ASP A 7 9.813 -11.518 3.268 1.00 0.54 H new ATOM 0 HA ASP A 7 11.063 -9.357 1.778 1.00 0.53 H new ATOM 0 HB2 ASP A 7 12.366 -11.111 2.949 1.00 0.71 H new ATOM 0 HB3 ASP A 7 11.679 -12.321 1.883 1.00 0.71 H new ATOM 103 N GLU A 8 9.117 -9.831 0.070 1.00 0.37 N ATOM 104 CA GLU A 8 8.350 -9.961 -1.147 1.00 0.34 C ATOM 105 C GLU A 8 7.604 -8.660 -1.398 1.00 0.28 C ATOM 106 O GLU A 8 7.142 -8.018 -0.458 1.00 0.29 O ATOM 107 CB GLU A 8 7.365 -11.125 -1.011 1.00 0.42 C ATOM 108 CG GLU A 8 6.536 -11.384 -2.254 1.00 0.46 C ATOM 109 CD GLU A 8 5.497 -12.466 -2.036 1.00 0.60 C ATOM 110 OE1 GLU A 8 5.696 -13.591 -2.539 1.00 0.71 O ATOM 111 OE2 GLU A 8 4.480 -12.199 -1.363 1.00 0.69 O ATOM 0 H GLU A 8 8.854 -9.026 0.639 1.00 0.37 H new ATOM 0 HA GLU A 8 9.012 -10.164 -1.989 1.00 0.34 H new ATOM 0 HB2 GLU A 8 7.920 -12.030 -0.763 1.00 0.42 H new ATOM 0 HB3 GLU A 8 6.694 -10.924 -0.176 1.00 0.42 H new ATOM 0 HG2 GLU A 8 6.039 -10.462 -2.556 1.00 0.46 H new ATOM 0 HG3 GLU A 8 7.194 -11.675 -3.073 1.00 0.46 H new ATOM 118 N CYS A 9 7.473 -8.279 -2.654 1.00 0.27 N ATOM 119 CA CYS A 9 6.816 -7.033 -2.993 1.00 0.25 C ATOM 120 C CYS A 9 5.316 -7.234 -3.023 1.00 0.32 C ATOM 121 O CYS A 9 4.810 -8.055 -3.784 1.00 0.38 O ATOM 122 CB CYS A 9 7.275 -6.554 -4.361 1.00 0.26 C ATOM 123 SG CYS A 9 6.406 -5.095 -4.968 1.00 0.30 S ATOM 0 H CYS A 9 7.812 -8.813 -3.454 1.00 0.27 H new ATOM 0 HA CYS A 9 7.075 -6.289 -2.240 1.00 0.25 H new ATOM 0 HB2 CYS A 9 8.342 -6.335 -4.317 1.00 0.26 H new ATOM 0 HB3 CYS A 9 7.146 -7.364 -5.079 1.00 0.26 H new ATOM 128 N PHE A 10 4.614 -6.472 -2.207 1.00 0.33 N ATOM 129 CA PHE A 10 3.165 -6.575 -2.114 1.00 0.41 C ATOM 130 C PHE A 10 2.503 -6.126 -3.420 1.00 0.48 C ATOM 131 O PHE A 10 1.381 -6.524 -3.729 1.00 0.57 O ATOM 132 CB PHE A 10 2.671 -5.734 -0.927 1.00 0.41 C ATOM 133 CG PHE A 10 1.186 -5.779 -0.704 1.00 0.46 C ATOM 134 CD1 PHE A 10 0.404 -4.659 -0.936 1.00 0.50 C ATOM 135 CD2 PHE A 10 0.573 -6.939 -0.256 1.00 0.50 C ATOM 136 CE1 PHE A 10 -0.960 -4.696 -0.726 1.00 0.56 C ATOM 137 CE2 PHE A 10 -0.789 -6.980 -0.047 1.00 0.57 C ATOM 138 CZ PHE A 10 -1.556 -5.858 -0.282 1.00 0.59 C ATOM 0 H PHE A 10 5.025 -5.769 -1.593 1.00 0.33 H new ATOM 0 HA PHE A 10 2.889 -7.617 -1.949 1.00 0.41 H new ATOM 0 HB2 PHE A 10 3.172 -6.078 -0.022 1.00 0.41 H new ATOM 0 HB3 PHE A 10 2.971 -4.698 -1.083 1.00 0.41 H new ATOM 0 HD1 PHE A 10 0.866 -3.747 -1.285 1.00 0.50 H new ATOM 0 HD2 PHE A 10 1.169 -7.820 -0.069 1.00 0.50 H new ATOM 0 HE1 PHE A 10 -1.559 -3.816 -0.909 1.00 0.56 H new ATOM 0 HE2 PHE A 10 -1.255 -7.890 0.301 1.00 0.57 H new ATOM 0 HZ PHE A 10 -2.623 -5.889 -0.118 1.00 0.59 H new ATOM 148 N SER A 11 3.215 -5.309 -4.185 1.00 0.46 N ATOM 149 CA SER A 11 2.704 -4.795 -5.449 1.00 0.54 C ATOM 150 C SER A 11 2.794 -5.834 -6.569 1.00 0.57 C ATOM 151 O SER A 11 1.923 -5.898 -7.432 1.00 0.69 O ATOM 152 CB SER A 11 3.482 -3.542 -5.847 1.00 0.54 C ATOM 153 OG SER A 11 3.594 -2.648 -4.756 1.00 0.96 O ATOM 0 H SER A 11 4.154 -4.986 -3.950 1.00 0.46 H new ATOM 0 HA SER A 11 1.651 -4.553 -5.306 1.00 0.54 H new ATOM 0 HB2 SER A 11 4.476 -3.822 -6.196 1.00 0.54 H new ATOM 0 HB3 SER A 11 2.980 -3.046 -6.678 1.00 0.54 H new ATOM 0 HG SER A 11 4.097 -1.854 -5.034 1.00 0.96 H new ATOM 159 N CYS A 12 3.849 -6.645 -6.554 1.00 0.48 N ATOM 160 CA CYS A 12 4.123 -7.541 -7.680 1.00 0.53 C ATOM 161 C CYS A 12 4.013 -9.015 -7.296 1.00 0.55 C ATOM 162 O CYS A 12 3.765 -9.867 -8.147 1.00 0.62 O ATOM 163 CB CYS A 12 5.517 -7.262 -8.238 1.00 0.51 C ATOM 164 SG CYS A 12 5.812 -5.527 -8.638 1.00 0.49 S ATOM 0 H CYS A 12 4.520 -6.702 -5.788 1.00 0.48 H new ATOM 0 HA CYS A 12 3.366 -7.343 -8.439 1.00 0.53 H new ATOM 0 HB2 CYS A 12 6.261 -7.588 -7.511 1.00 0.51 H new ATOM 0 HB3 CYS A 12 5.665 -7.862 -9.136 1.00 0.51 H new ATOM 169 N GLY A 13 4.211 -9.315 -6.020 1.00 0.51 N ATOM 170 CA GLY A 13 4.182 -10.694 -5.571 1.00 0.55 C ATOM 171 C GLY A 13 5.523 -11.380 -5.750 1.00 0.54 C ATOM 172 O GLY A 13 5.622 -12.601 -5.663 1.00 0.61 O ATOM 0 H GLY A 13 4.391 -8.629 -5.287 1.00 0.51 H new ATOM 0 HA2 GLY A 13 3.896 -10.727 -4.520 1.00 0.55 H new ATOM 0 HA3 GLY A 13 3.419 -11.240 -6.126 1.00 0.55 H new ATOM 176 N ASP A 14 6.559 -10.591 -5.999 1.00 0.49 N ATOM 177 CA ASP A 14 7.893 -11.129 -6.224 1.00 0.49 C ATOM 178 C ASP A 14 8.922 -10.402 -5.374 1.00 0.38 C ATOM 179 O ASP A 14 8.697 -9.272 -4.944 1.00 0.32 O ATOM 180 CB ASP A 14 8.273 -11.031 -7.702 1.00 0.55 C ATOM 181 CG ASP A 14 7.642 -12.130 -8.532 1.00 0.72 C ATOM 182 OD1 ASP A 14 6.680 -11.841 -9.278 1.00 0.81 O ATOM 183 OD2 ASP A 14 8.096 -13.288 -8.443 1.00 0.85 O ATOM 0 H ASP A 14 6.501 -9.574 -6.050 1.00 0.49 H new ATOM 0 HA ASP A 14 7.882 -12.179 -5.933 1.00 0.49 H new ATOM 0 HB2 ASP A 14 7.963 -10.061 -8.091 1.00 0.55 H new ATOM 0 HB3 ASP A 14 9.357 -11.082 -7.800 1.00 0.55 H new ATOM 188 N ALA A 15 10.039 -11.065 -5.126 1.00 0.41 N ATOM 189 CA ALA A 15 11.111 -10.504 -4.323 1.00 0.36 C ATOM 190 C ALA A 15 12.321 -10.197 -5.189 1.00 0.40 C ATOM 191 O ALA A 15 12.478 -10.767 -6.269 1.00 0.47 O ATOM 192 CB ALA A 15 11.496 -11.448 -3.202 1.00 0.42 C ATOM 0 H ALA A 15 10.227 -12.005 -5.475 1.00 0.41 H new ATOM 0 HA ALA A 15 10.751 -9.574 -3.882 1.00 0.36 H new ATOM 0 HB1 ALA A 15 12.301 -11.006 -2.614 1.00 0.42 H new ATOM 0 HB2 ALA A 15 10.632 -11.623 -2.561 1.00 0.42 H new ATOM 0 HB3 ALA A 15 11.833 -12.395 -3.623 1.00 0.42 H new ATOM 198 N GLY A 16 13.163 -9.294 -4.721 1.00 0.40 N ATOM 199 CA GLY A 16 14.328 -8.901 -5.482 1.00 0.48 C ATOM 200 C GLY A 16 14.559 -7.407 -5.429 1.00 0.49 C ATOM 201 O GLY A 16 13.973 -6.665 -6.218 1.00 1.04 O ATOM 0 H GLY A 16 13.061 -8.823 -3.822 1.00 0.40 H new ATOM 0 HA2 GLY A 16 15.206 -9.418 -5.095 1.00 0.48 H new ATOM 0 HA3 GLY A 16 14.206 -9.213 -6.519 1.00 0.48 H new ATOM 205 N GLN A 17 15.409 -6.976 -4.499 1.00 0.52 N ATOM 206 CA GLN A 17 15.682 -5.558 -4.275 1.00 0.49 C ATOM 207 C GLN A 17 14.421 -4.832 -3.814 1.00 0.39 C ATOM 208 O GLN A 17 13.690 -4.246 -4.615 1.00 0.41 O ATOM 209 CB GLN A 17 16.255 -4.899 -5.533 1.00 0.61 C ATOM 210 CG GLN A 17 16.566 -3.422 -5.352 1.00 0.67 C ATOM 211 CD GLN A 17 17.098 -2.767 -6.613 1.00 0.93 C ATOM 212 OE1 GLN A 17 16.707 -3.284 -7.767 1.00 1.56 O flip ATOM 213 NE2 GLN A 17 17.858 -1.801 -6.547 1.00 1.52 N flip ATOM 0 H GLN A 17 15.927 -7.599 -3.880 1.00 0.52 H new ATOM 0 HA GLN A 17 16.431 -5.483 -3.486 1.00 0.49 H new ATOM 0 HB2 GLN A 17 17.166 -5.421 -5.825 1.00 0.61 H new ATOM 0 HB3 GLN A 17 15.544 -5.016 -6.351 1.00 0.61 H new ATOM 0 HG2 GLN A 17 15.662 -2.903 -5.034 1.00 0.67 H new ATOM 0 HG3 GLN A 17 17.298 -3.306 -4.553 1.00 0.67 H new ATOM 0 HE21 GLN A 17 18.136 -1.432 -5.638 1.00 1.52 H new ATOM 0 HE22 GLN A 17 18.210 -1.370 -7.402 1.00 1.52 H new ATOM 222 N LEU A 18 14.170 -4.885 -2.518 1.00 0.34 N ATOM 223 CA LEU A 18 12.982 -4.277 -1.951 1.00 0.27 C ATOM 224 C LEU A 18 13.347 -3.101 -1.054 1.00 0.31 C ATOM 225 O LEU A 18 14.328 -3.153 -0.310 1.00 0.42 O ATOM 226 CB LEU A 18 12.193 -5.321 -1.160 1.00 0.24 C ATOM 227 CG LEU A 18 11.677 -6.497 -1.986 1.00 0.21 C ATOM 228 CD1 LEU A 18 11.278 -7.654 -1.094 1.00 0.25 C ATOM 229 CD2 LEU A 18 10.499 -6.061 -2.832 1.00 0.17 C ATOM 0 H LEU A 18 14.775 -5.344 -1.838 1.00 0.34 H new ATOM 0 HA LEU A 18 12.363 -3.901 -2.766 1.00 0.27 H new ATOM 0 HB2 LEU A 18 12.827 -5.707 -0.362 1.00 0.24 H new ATOM 0 HB3 LEU A 18 11.344 -4.830 -0.684 1.00 0.24 H new ATOM 0 HG LEU A 18 12.482 -6.833 -2.640 1.00 0.21 H new ATOM 0 HD11 LEU A 18 10.914 -8.478 -1.708 1.00 0.25 H new ATOM 0 HD12 LEU A 18 12.143 -7.985 -0.518 1.00 0.25 H new ATOM 0 HD13 LEU A 18 10.490 -7.333 -0.413 1.00 0.25 H new ATOM 0 HD21 LEU A 18 10.138 -6.907 -3.417 1.00 0.17 H new ATOM 0 HD22 LEU A 18 9.700 -5.701 -2.185 1.00 0.17 H new ATOM 0 HD23 LEU A 18 10.810 -5.261 -3.504 1.00 0.17 H new ATOM 241 N VAL A 19 12.556 -2.043 -1.142 1.00 0.29 N ATOM 242 CA VAL A 19 12.741 -0.866 -0.311 1.00 0.32 C ATOM 243 C VAL A 19 11.640 -0.800 0.742 1.00 0.30 C ATOM 244 O VAL A 19 10.451 -0.925 0.429 1.00 0.27 O ATOM 245 CB VAL A 19 12.766 0.438 -1.155 1.00 0.36 C ATOM 246 CG1 VAL A 19 11.549 0.547 -2.064 1.00 0.34 C ATOM 247 CG2 VAL A 19 12.871 1.663 -0.256 1.00 0.42 C ATOM 0 H VAL A 19 11.771 -1.977 -1.789 1.00 0.29 H new ATOM 0 HA VAL A 19 13.709 -0.950 0.183 1.00 0.32 H new ATOM 0 HB VAL A 19 13.650 0.395 -1.791 1.00 0.36 H new ATOM 0 HG11 VAL A 19 11.605 1.473 -2.637 1.00 0.34 H new ATOM 0 HG12 VAL A 19 11.528 -0.302 -2.747 1.00 0.34 H new ATOM 0 HG13 VAL A 19 10.642 0.549 -1.459 1.00 0.34 H new ATOM 0 HG21 VAL A 19 12.887 2.564 -0.869 1.00 0.42 H new ATOM 0 HG22 VAL A 19 12.013 1.696 0.416 1.00 0.42 H new ATOM 0 HG23 VAL A 19 13.788 1.607 0.330 1.00 0.42 H new ATOM 257 N SER A 20 12.044 -0.642 1.993 1.00 0.34 N ATOM 258 CA SER A 20 11.107 -0.640 3.105 1.00 0.33 C ATOM 259 C SER A 20 10.690 0.776 3.480 1.00 0.33 C ATOM 260 O SER A 20 11.411 1.746 3.232 1.00 0.35 O ATOM 261 CB SER A 20 11.732 -1.344 4.314 1.00 0.39 C ATOM 262 OG SER A 20 10.841 -1.371 5.418 1.00 0.47 O ATOM 0 H SER A 20 13.019 -0.513 2.264 1.00 0.34 H new ATOM 0 HA SER A 20 10.212 -1.179 2.794 1.00 0.33 H new ATOM 0 HB2 SER A 20 12.006 -2.363 4.041 1.00 0.39 H new ATOM 0 HB3 SER A 20 12.651 -0.832 4.599 1.00 0.39 H new ATOM 0 HG SER A 20 11.347 -1.525 6.243 1.00 0.47 H new ATOM 268 N CYS A 21 9.515 0.874 4.084 1.00 0.33 N ATOM 269 CA CYS A 21 8.960 2.143 4.514 1.00 0.35 C ATOM 270 C CYS A 21 9.622 2.578 5.821 1.00 0.40 C ATOM 271 O CYS A 21 9.830 1.757 6.717 1.00 0.43 O ATOM 272 CB CYS A 21 7.452 1.982 4.708 1.00 0.37 C ATOM 273 SG CYS A 21 6.500 3.513 4.622 1.00 0.34 S ATOM 0 H CYS A 21 8.920 0.071 4.289 1.00 0.33 H new ATOM 0 HA CYS A 21 9.147 2.908 3.760 1.00 0.35 H new ATOM 0 HB2 CYS A 21 7.075 1.295 3.950 1.00 0.37 H new ATOM 0 HB3 CYS A 21 7.274 1.516 5.677 1.00 0.37 H new ATOM 278 N LYS A 22 9.957 3.857 5.928 1.00 0.52 N ATOM 279 CA LYS A 22 10.625 4.369 7.119 1.00 0.61 C ATOM 280 C LYS A 22 9.620 4.935 8.117 1.00 0.63 C ATOM 281 O LYS A 22 9.991 5.642 9.053 1.00 0.78 O ATOM 282 CB LYS A 22 11.645 5.442 6.734 1.00 0.74 C ATOM 283 CG LYS A 22 12.846 4.902 5.977 1.00 1.35 C ATOM 284 CD LYS A 22 13.820 6.013 5.621 1.00 1.65 C ATOM 285 CE LYS A 22 15.110 5.469 5.027 1.00 2.25 C ATOM 286 NZ LYS A 22 15.855 4.621 5.995 1.00 2.79 N ATOM 0 H LYS A 22 9.778 4.557 5.208 1.00 0.52 H new ATOM 0 HA LYS A 22 11.144 3.538 7.596 1.00 0.61 H new ATOM 0 HB2 LYS A 22 11.151 6.197 6.122 1.00 0.74 H new ATOM 0 HB3 LYS A 22 11.992 5.942 7.638 1.00 0.74 H new ATOM 0 HG2 LYS A 22 13.353 4.151 6.583 1.00 1.35 H new ATOM 0 HG3 LYS A 22 12.511 4.404 5.067 1.00 1.35 H new ATOM 0 HD2 LYS A 22 13.351 6.692 4.909 1.00 1.65 H new ATOM 0 HD3 LYS A 22 14.049 6.595 6.514 1.00 1.65 H new ATOM 0 HE2 LYS A 22 14.881 4.885 4.135 1.00 2.25 H new ATOM 0 HE3 LYS A 22 15.742 6.299 4.711 1.00 2.25 H new ATOM 0 HZ1 LYS A 22 16.842 4.523 5.682 1.00 2.79 H new ATOM 0 HZ2 LYS A 22 15.832 5.065 6.935 1.00 2.79 H new ATOM 0 HZ3 LYS A 22 15.413 3.681 6.045 1.00 2.79 H new ATOM 300 N LYS A 23 8.351 4.619 7.917 1.00 0.60 N ATOM 301 CA LYS A 23 7.301 5.098 8.801 1.00 0.66 C ATOM 302 C LYS A 23 6.787 3.951 9.666 1.00 0.65 C ATOM 303 O LYS A 23 6.433 2.892 9.148 1.00 0.61 O ATOM 304 CB LYS A 23 6.154 5.702 7.985 1.00 0.75 C ATOM 305 CG LYS A 23 5.129 6.452 8.829 1.00 1.23 C ATOM 306 CD LYS A 23 4.093 7.161 7.966 1.00 1.50 C ATOM 307 CE LYS A 23 3.135 7.991 8.809 1.00 1.95 C ATOM 308 NZ LYS A 23 2.359 7.155 9.763 1.00 2.27 N ATOM 0 H LYS A 23 8.023 4.032 7.150 1.00 0.60 H new ATOM 0 HA LYS A 23 7.711 5.873 9.449 1.00 0.66 H new ATOM 0 HB2 LYS A 23 6.568 6.384 7.242 1.00 0.75 H new ATOM 0 HB3 LYS A 23 5.649 4.905 7.440 1.00 0.75 H new ATOM 0 HG2 LYS A 23 4.627 5.752 9.498 1.00 1.23 H new ATOM 0 HG3 LYS A 23 5.640 7.182 9.457 1.00 1.23 H new ATOM 0 HD2 LYS A 23 4.598 7.806 7.247 1.00 1.50 H new ATOM 0 HD3 LYS A 23 3.530 6.424 7.393 1.00 1.50 H new ATOM 0 HE2 LYS A 23 3.698 8.743 9.362 1.00 1.95 H new ATOM 0 HE3 LYS A 23 2.447 8.526 8.154 1.00 1.95 H new ATOM 0 HZ1 LYS A 23 1.616 7.733 10.206 1.00 2.27 H new ATOM 0 HZ2 LYS A 23 1.922 6.361 9.253 1.00 2.27 H new ATOM 0 HZ3 LYS A 23 2.995 6.786 10.498 1.00 2.27 H new ATOM 322 N PRO A 24 6.773 4.142 10.998 1.00 0.77 N ATOM 323 CA PRO A 24 6.305 3.124 11.949 1.00 0.83 C ATOM 324 C PRO A 24 4.884 2.654 11.654 1.00 0.80 C ATOM 325 O PRO A 24 4.047 3.426 11.181 1.00 0.86 O ATOM 326 CB PRO A 24 6.353 3.841 13.302 1.00 1.01 C ATOM 327 CG PRO A 24 7.354 4.925 13.118 1.00 1.18 C ATOM 328 CD PRO A 24 7.219 5.367 11.685 1.00 0.93 C ATOM 0 HA PRO A 24 6.919 2.224 11.904 1.00 0.83 H new ATOM 0 HB2 PRO A 24 5.377 4.245 13.571 1.00 1.01 H new ATOM 0 HB3 PRO A 24 6.648 3.161 14.101 1.00 1.01 H new ATOM 0 HG2 PRO A 24 7.165 5.752 13.802 1.00 1.18 H new ATOM 0 HG3 PRO A 24 8.362 4.565 13.323 1.00 1.18 H new ATOM 0 HD2 PRO A 24 6.495 6.175 11.579 1.00 0.93 H new ATOM 0 HD3 PRO A 24 8.165 5.732 11.285 1.00 0.93 H new ATOM 336 N GLY A 25 4.618 1.386 11.941 1.00 0.76 N ATOM 337 CA GLY A 25 3.307 0.825 11.684 1.00 0.75 C ATOM 338 C GLY A 25 3.152 0.351 10.253 1.00 0.65 C ATOM 339 O GLY A 25 2.040 0.072 9.801 1.00 0.83 O ATOM 0 H GLY A 25 5.289 0.735 12.348 1.00 0.76 H new ATOM 0 HA2 GLY A 25 3.133 -0.011 12.362 1.00 0.75 H new ATOM 0 HA3 GLY A 25 2.545 1.574 11.900 1.00 0.75 H new ATOM 343 N CYS A 26 4.260 0.272 9.532 1.00 0.48 N ATOM 344 CA CYS A 26 4.234 -0.184 8.157 1.00 0.39 C ATOM 345 C CYS A 26 5.196 -1.354 7.979 1.00 0.34 C ATOM 346 O CYS A 26 6.409 -1.164 7.904 1.00 0.40 O ATOM 347 CB CYS A 26 4.645 0.971 7.249 1.00 0.44 C ATOM 348 SG CYS A 26 4.065 0.851 5.546 1.00 0.35 S ATOM 0 H CYS A 26 5.187 0.519 9.879 1.00 0.48 H new ATOM 0 HA CYS A 26 3.229 -0.517 7.897 1.00 0.39 H new ATOM 0 HB2 CYS A 26 4.272 1.901 7.679 1.00 0.44 H new ATOM 0 HB3 CYS A 26 5.733 1.037 7.242 1.00 0.44 H new ATOM 353 N PRO A 27 4.668 -2.580 7.908 1.00 0.37 N ATOM 354 CA PRO A 27 5.469 -3.779 7.738 1.00 0.45 C ATOM 355 C PRO A 27 5.527 -4.237 6.286 1.00 0.45 C ATOM 356 O PRO A 27 5.764 -5.409 6.009 1.00 0.66 O ATOM 357 CB PRO A 27 4.686 -4.783 8.579 1.00 0.57 C ATOM 358 CG PRO A 27 3.252 -4.394 8.381 1.00 0.57 C ATOM 359 CD PRO A 27 3.241 -2.916 8.042 1.00 0.44 C ATOM 0 HA PRO A 27 6.511 -3.644 8.027 1.00 0.45 H new ATOM 0 HB2 PRO A 27 4.870 -5.806 8.250 1.00 0.57 H new ATOM 0 HB3 PRO A 27 4.971 -4.730 9.630 1.00 0.57 H new ATOM 0 HG2 PRO A 27 2.800 -4.978 7.579 1.00 0.57 H new ATOM 0 HG3 PRO A 27 2.671 -4.588 9.283 1.00 0.57 H new ATOM 0 HD2 PRO A 27 2.695 -2.721 7.119 1.00 0.44 H new ATOM 0 HD3 PRO A 27 2.763 -2.329 8.826 1.00 0.44 H new ATOM 367 N LYS A 28 5.307 -3.315 5.363 1.00 0.30 N ATOM 368 CA LYS A 28 5.246 -3.664 3.951 1.00 0.30 C ATOM 369 C LYS A 28 6.491 -3.191 3.211 1.00 0.27 C ATOM 370 O LYS A 28 7.136 -2.219 3.612 1.00 0.31 O ATOM 371 CB LYS A 28 3.977 -3.082 3.315 1.00 0.32 C ATOM 372 CG LYS A 28 3.029 -4.143 2.762 1.00 0.42 C ATOM 373 CD LYS A 28 2.675 -5.185 3.816 1.00 0.52 C ATOM 374 CE LYS A 28 1.664 -6.195 3.295 1.00 0.70 C ATOM 375 NZ LYS A 28 1.514 -7.362 4.210 1.00 1.00 N ATOM 0 H LYS A 28 5.168 -2.324 5.563 1.00 0.30 H new ATOM 0 HA LYS A 28 5.209 -4.750 3.870 1.00 0.30 H new ATOM 0 HB2 LYS A 28 3.448 -2.486 4.059 1.00 0.32 H new ATOM 0 HB3 LYS A 28 4.262 -2.406 2.509 1.00 0.32 H new ATOM 0 HG2 LYS A 28 2.118 -3.665 2.402 1.00 0.42 H new ATOM 0 HG3 LYS A 28 3.491 -4.634 1.906 1.00 0.42 H new ATOM 0 HD2 LYS A 28 3.580 -5.705 4.131 1.00 0.52 H new ATOM 0 HD3 LYS A 28 2.271 -4.687 4.697 1.00 0.52 H new ATOM 0 HE2 LYS A 28 0.697 -5.707 3.169 1.00 0.70 H new ATOM 0 HE3 LYS A 28 1.976 -6.544 2.311 1.00 0.70 H new ATOM 0 HZ1 LYS A 28 0.619 -7.851 4.005 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 2.308 -8.019 4.068 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 1.510 -7.032 5.196 1.00 1.00 H new ATOM 389 N VAL A 29 6.818 -3.888 2.132 1.00 0.23 N ATOM 390 CA VAL A 29 8.008 -3.594 1.351 1.00 0.20 C ATOM 391 C VAL A 29 7.672 -3.683 -0.145 1.00 0.18 C ATOM 392 O VAL A 29 6.775 -4.437 -0.542 1.00 0.21 O ATOM 393 CB VAL A 29 9.147 -4.569 1.726 1.00 0.22 C ATOM 394 CG1 VAL A 29 9.003 -5.904 1.024 1.00 0.31 C ATOM 395 CG2 VAL A 29 10.510 -3.960 1.470 1.00 0.44 C ATOM 0 H VAL A 29 6.268 -4.669 1.776 1.00 0.23 H new ATOM 0 HA VAL A 29 8.349 -2.582 1.571 1.00 0.20 H new ATOM 0 HB VAL A 29 9.064 -4.755 2.797 1.00 0.22 H new ATOM 0 HG11 VAL A 29 9.824 -6.559 1.316 1.00 0.31 H new ATOM 0 HG12 VAL A 29 8.055 -6.363 1.306 1.00 0.31 H new ATOM 0 HG13 VAL A 29 9.026 -5.752 -0.055 1.00 0.31 H new ATOM 0 HG21 VAL A 29 11.285 -4.675 1.746 1.00 0.44 H new ATOM 0 HG22 VAL A 29 10.605 -3.711 0.413 1.00 0.44 H new ATOM 0 HG23 VAL A 29 10.622 -3.055 2.067 1.00 0.44 H new ATOM 405 N TYR A 30 8.362 -2.900 -0.968 1.00 0.19 N ATOM 406 CA TYR A 30 8.045 -2.811 -2.395 1.00 0.20 C ATOM 407 C TYR A 30 9.322 -2.661 -3.211 1.00 0.20 C ATOM 408 O TYR A 30 10.391 -2.433 -2.657 1.00 0.21 O ATOM 409 CB TYR A 30 7.154 -1.593 -2.685 1.00 0.29 C ATOM 410 CG TYR A 30 5.982 -1.412 -1.743 1.00 0.37 C ATOM 411 CD1 TYR A 30 4.797 -2.115 -1.923 1.00 0.44 C ATOM 412 CD2 TYR A 30 6.057 -0.519 -0.681 1.00 0.47 C ATOM 413 CE1 TYR A 30 3.724 -1.935 -1.072 1.00 0.55 C ATOM 414 CE2 TYR A 30 4.990 -0.335 0.175 1.00 0.57 C ATOM 415 CZ TYR A 30 3.826 -1.045 -0.026 1.00 0.60 C ATOM 416 OH TYR A 30 2.760 -0.860 0.821 1.00 0.72 O ATOM 0 H TYR A 30 9.145 -2.316 -0.674 1.00 0.19 H new ATOM 0 HA TYR A 30 7.521 -3.726 -2.670 1.00 0.20 H new ATOM 0 HB2 TYR A 30 7.771 -0.695 -2.649 1.00 0.29 H new ATOM 0 HB3 TYR A 30 6.772 -1.676 -3.703 1.00 0.29 H new ATOM 0 HD1 TYR A 30 4.714 -2.814 -2.742 1.00 0.44 H new ATOM 0 HD2 TYR A 30 6.967 0.041 -0.523 1.00 0.47 H new ATOM 0 HE1 TYR A 30 2.810 -2.489 -1.226 1.00 0.55 H new ATOM 0 HE2 TYR A 30 5.067 0.361 0.997 1.00 0.57 H new ATOM 0 HH TYR A 30 2.997 -0.199 1.505 1.00 0.72 H new ATOM 426 N HIS A 31 9.210 -2.804 -4.525 1.00 0.23 N ATOM 427 CA HIS A 31 10.320 -2.484 -5.418 1.00 0.26 C ATOM 428 C HIS A 31 10.288 -0.996 -5.713 1.00 0.32 C ATOM 429 O HIS A 31 9.216 -0.412 -5.865 1.00 0.35 O ATOM 430 CB HIS A 31 10.229 -3.228 -6.760 1.00 0.28 C ATOM 431 CG HIS A 31 10.125 -4.710 -6.662 1.00 0.26 C ATOM 432 ND1 HIS A 31 9.054 -5.382 -7.194 1.00 0.30 N ATOM 433 CD2 HIS A 31 10.985 -5.597 -6.119 1.00 0.26 C ATOM 434 CE1 HIS A 31 9.282 -6.665 -6.962 1.00 0.31 C ATOM 435 NE2 HIS A 31 10.447 -6.846 -6.313 1.00 0.28 N ATOM 0 H HIS A 31 8.369 -3.137 -4.995 1.00 0.23 H new ATOM 0 HA HIS A 31 11.240 -2.788 -4.919 1.00 0.26 H new ATOM 0 HB2 HIS A 31 9.362 -2.855 -7.305 1.00 0.28 H new ATOM 0 HB3 HIS A 31 11.109 -2.981 -7.354 1.00 0.28 H new ATOM 0 HD2 HIS A 31 11.918 -5.368 -5.626 1.00 0.26 H new ATOM 0 HE1 HIS A 31 8.618 -7.464 -7.256 1.00 0.31 H new ATOM 0 HE2 HIS A 31 10.851 -7.736 -6.022 1.00 0.28 H new ATOM 443 N ALA A 32 11.454 -0.389 -5.803 1.00 0.38 N ATOM 444 CA ALA A 32 11.550 1.008 -6.176 1.00 0.45 C ATOM 445 C ALA A 32 11.065 1.204 -7.607 1.00 0.48 C ATOM 446 O ALA A 32 10.516 2.251 -7.956 1.00 0.55 O ATOM 447 CB ALA A 32 12.979 1.497 -6.014 1.00 0.53 C ATOM 0 H ALA A 32 12.350 -0.842 -5.623 1.00 0.38 H new ATOM 0 HA ALA A 32 10.912 1.597 -5.517 1.00 0.45 H new ATOM 0 HB1 ALA A 32 13.038 2.548 -6.297 1.00 0.53 H new ATOM 0 HB2 ALA A 32 13.287 1.383 -4.975 1.00 0.53 H new ATOM 0 HB3 ALA A 32 13.639 0.911 -6.654 1.00 0.53 H new ATOM 453 N ASP A 33 11.265 0.177 -8.428 1.00 0.48 N ATOM 454 CA ASP A 33 10.896 0.227 -9.841 1.00 0.55 C ATOM 455 C ASP A 33 9.380 0.309 -10.034 1.00 0.54 C ATOM 456 O ASP A 33 8.896 1.156 -10.785 1.00 0.62 O ATOM 457 CB ASP A 33 11.450 -0.987 -10.589 1.00 0.60 C ATOM 458 CG ASP A 33 11.211 -0.895 -12.082 1.00 1.35 C ATOM 459 OD1 ASP A 33 10.183 -1.418 -12.561 1.00 1.90 O ATOM 460 OD2 ASP A 33 12.047 -0.287 -12.786 1.00 2.01 O ATOM 0 H ASP A 33 11.684 -0.706 -8.137 1.00 0.48 H new ATOM 0 HA ASP A 33 11.337 1.135 -10.254 1.00 0.55 H new ATOM 0 HB2 ASP A 33 12.520 -1.072 -10.398 1.00 0.60 H new ATOM 0 HB3 ASP A 33 10.984 -1.894 -10.203 1.00 0.60 H new ATOM 465 N CYS A 34 8.626 -0.548 -9.343 1.00 0.48 N ATOM 466 CA CYS A 34 7.172 -0.580 -9.509 1.00 0.52 C ATOM 467 C CYS A 34 6.529 0.649 -8.876 1.00 0.56 C ATOM 468 O CYS A 34 5.384 0.990 -9.171 1.00 0.67 O ATOM 469 CB CYS A 34 6.583 -1.868 -8.914 1.00 0.50 C ATOM 470 SG CYS A 34 7.261 -2.322 -7.304 1.00 0.44 S ATOM 0 H CYS A 34 8.993 -1.222 -8.671 1.00 0.48 H new ATOM 0 HA CYS A 34 6.953 -0.568 -10.577 1.00 0.52 H new ATOM 0 HB2 CYS A 34 5.503 -1.750 -8.820 1.00 0.50 H new ATOM 0 HB3 CYS A 34 6.755 -2.688 -9.611 1.00 0.50 H new ATOM 475 N LEU A 35 7.277 1.308 -8.005 1.00 0.52 N ATOM 476 CA LEU A 35 6.839 2.560 -7.412 1.00 0.58 C ATOM 477 C LEU A 35 7.249 3.738 -8.289 1.00 0.67 C ATOM 478 O LEU A 35 6.914 4.888 -8.003 1.00 0.74 O ATOM 479 CB LEU A 35 7.440 2.717 -6.019 1.00 0.55 C ATOM 480 CG LEU A 35 7.019 1.662 -4.998 1.00 0.49 C ATOM 481 CD1 LEU A 35 7.886 1.769 -3.762 1.00 0.48 C ATOM 482 CD2 LEU A 35 5.556 1.822 -4.625 1.00 0.54 C ATOM 0 H LEU A 35 8.196 0.994 -7.692 1.00 0.52 H new ATOM 0 HA LEU A 35 5.752 2.544 -7.333 1.00 0.58 H new ATOM 0 HB2 LEU A 35 8.526 2.699 -6.107 1.00 0.55 H new ATOM 0 HB3 LEU A 35 7.168 3.699 -5.634 1.00 0.55 H new ATOM 0 HG LEU A 35 7.150 0.677 -5.446 1.00 0.49 H new ATOM 0 HD11 LEU A 35 7.581 1.014 -3.037 1.00 0.48 H new ATOM 0 HD12 LEU A 35 8.929 1.610 -4.035 1.00 0.48 H new ATOM 0 HD13 LEU A 35 7.773 2.760 -3.323 1.00 0.48 H new ATOM 0 HD21 LEU A 35 5.281 1.059 -3.897 1.00 0.54 H new ATOM 0 HD22 LEU A 35 5.397 2.810 -4.193 1.00 0.54 H new ATOM 0 HD23 LEU A 35 4.939 1.712 -5.517 1.00 0.54 H new ATOM 494 N ASN A 36 7.994 3.428 -9.356 1.00 0.68 N ATOM 495 CA ASN A 36 8.456 4.423 -10.322 1.00 0.77 C ATOM 496 C ASN A 36 9.391 5.429 -9.669 1.00 0.78 C ATOM 497 O ASN A 36 9.407 6.609 -10.023 1.00 0.87 O ATOM 498 CB ASN A 36 7.274 5.142 -10.986 1.00 0.86 C ATOM 499 CG ASN A 36 6.609 4.323 -12.084 1.00 1.46 C ATOM 500 OD1 ASN A 36 6.677 3.004 -11.981 1.00 2.09 O flip ATOM 501 ND2 ASN A 36 6.037 4.877 -13.024 1.00 2.13 N flip ATOM 0 H ASN A 36 8.293 2.477 -9.572 1.00 0.68 H new ATOM 0 HA ASN A 36 9.011 3.894 -11.096 1.00 0.77 H new ATOM 0 HB2 ASN A 36 6.533 5.386 -10.225 1.00 0.86 H new ATOM 0 HB3 ASN A 36 7.622 6.086 -11.406 1.00 0.86 H new ATOM 0 HD21 ASN A 36 6.004 5.895 -13.072 1.00 2.13 H new ATOM 0 HD22 ASN A 36 5.597 4.317 -13.754 1.00 2.13 H new ATOM 508 N LEU A 37 10.182 4.953 -8.719 1.00 0.71 N ATOM 509 CA LEU A 37 11.120 5.804 -8.009 1.00 0.75 C ATOM 510 C LEU A 37 12.410 5.973 -8.805 1.00 0.83 C ATOM 511 O LEU A 37 13.443 5.396 -8.463 1.00 0.88 O ATOM 512 CB LEU A 37 11.435 5.224 -6.627 1.00 0.69 C ATOM 513 CG LEU A 37 10.263 5.189 -5.641 1.00 0.69 C ATOM 514 CD1 LEU A 37 10.691 4.566 -4.321 1.00 0.69 C ATOM 515 CD2 LEU A 37 9.721 6.589 -5.404 1.00 0.78 C ATOM 0 H LEU A 37 10.191 3.977 -8.422 1.00 0.71 H new ATOM 0 HA LEU A 37 10.656 6.782 -7.885 1.00 0.75 H new ATOM 0 HB2 LEU A 37 11.809 4.208 -6.756 1.00 0.69 H new ATOM 0 HB3 LEU A 37 12.242 5.807 -6.184 1.00 0.69 H new ATOM 0 HG LEU A 37 9.473 4.577 -6.076 1.00 0.69 H new ATOM 0 HD11 LEU A 37 9.844 4.550 -3.635 1.00 0.69 H new ATOM 0 HD12 LEU A 37 11.036 3.547 -4.495 1.00 0.69 H new ATOM 0 HD13 LEU A 37 11.500 5.154 -3.887 1.00 0.69 H new ATOM 0 HD21 LEU A 37 8.889 6.543 -4.701 1.00 0.78 H new ATOM 0 HD22 LEU A 37 10.509 7.220 -4.993 1.00 0.78 H new ATOM 0 HD23 LEU A 37 9.375 7.010 -6.348 1.00 0.78 H new ATOM 527 N THR A 38 12.347 6.752 -9.879 1.00 0.91 N ATOM 528 CA THR A 38 13.541 7.081 -10.639 1.00 1.03 C ATOM 529 C THR A 38 14.467 7.943 -9.785 1.00 1.04 C ATOM 530 O THR A 38 15.694 7.855 -9.882 1.00 1.14 O ATOM 531 CB THR A 38 13.188 7.817 -11.945 1.00 1.16 C ATOM 532 OG1 THR A 38 12.166 7.094 -12.643 1.00 1.43 O ATOM 533 CG2 THR A 38 14.411 7.957 -12.839 1.00 1.59 C ATOM 0 H THR A 38 11.486 7.164 -10.239 1.00 0.91 H new ATOM 0 HA THR A 38 14.046 6.153 -10.906 1.00 1.03 H new ATOM 0 HB THR A 38 12.829 8.815 -11.691 1.00 1.16 H new ATOM 0 HG1 THR A 38 11.941 7.564 -13.473 1.00 1.43 H new ATOM 0 HG21 THR A 38 14.135 8.480 -13.754 1.00 1.59 H new ATOM 0 HG22 THR A 38 15.181 8.524 -12.316 1.00 1.59 H new ATOM 0 HG23 THR A 38 14.795 6.968 -13.088 1.00 1.59 H new ATOM 541 N LYS A 39 13.866 8.760 -8.929 1.00 0.99 N ATOM 542 CA LYS A 39 14.613 9.537 -7.960 1.00 1.02 C ATOM 543 C LYS A 39 14.673 8.775 -6.644 1.00 0.94 C ATOM 544 O LYS A 39 13.660 8.638 -5.952 1.00 0.96 O ATOM 545 CB LYS A 39 13.961 10.903 -7.739 1.00 1.12 C ATOM 546 CG LYS A 39 14.681 11.755 -6.705 1.00 1.57 C ATOM 547 CD LYS A 39 13.922 13.035 -6.378 1.00 1.98 C ATOM 548 CE LYS A 39 12.819 12.813 -5.345 1.00 2.58 C ATOM 549 NZ LYS A 39 11.685 12.001 -5.867 1.00 3.17 N ATOM 0 H LYS A 39 12.856 8.899 -8.890 1.00 0.99 H new ATOM 0 HA LYS A 39 15.622 9.698 -8.341 1.00 1.02 H new ATOM 0 HB2 LYS A 39 13.932 11.441 -8.686 1.00 1.12 H new ATOM 0 HB3 LYS A 39 12.928 10.758 -7.424 1.00 1.12 H new ATOM 0 HG2 LYS A 39 14.820 11.175 -5.793 1.00 1.57 H new ATOM 0 HG3 LYS A 39 15.674 12.009 -7.075 1.00 1.57 H new ATOM 0 HD2 LYS A 39 14.621 13.783 -6.003 1.00 1.98 H new ATOM 0 HD3 LYS A 39 13.484 13.438 -7.291 1.00 1.98 H new ATOM 0 HE2 LYS A 39 13.242 12.316 -4.472 1.00 2.58 H new ATOM 0 HE3 LYS A 39 12.442 13.780 -5.011 1.00 2.58 H new ATOM 0 HZ1 LYS A 39 10.809 12.272 -5.377 1.00 3.17 H new ATOM 0 HZ2 LYS A 39 11.577 12.171 -6.887 1.00 3.17 H new ATOM 0 HZ3 LYS A 39 11.876 10.992 -5.702 1.00 3.17 H new ATOM 563 N ARG A 40 15.851 8.267 -6.316 1.00 0.97 N ATOM 564 CA ARG A 40 16.043 7.503 -5.091 1.00 0.95 C ATOM 565 C ARG A 40 15.758 8.376 -3.870 1.00 0.91 C ATOM 566 O ARG A 40 16.367 9.430 -3.708 1.00 1.01 O ATOM 567 CB ARG A 40 17.475 6.969 -5.031 1.00 1.10 C ATOM 568 CG ARG A 40 17.753 6.104 -3.815 1.00 1.80 C ATOM 569 CD ARG A 40 19.211 5.687 -3.756 1.00 1.93 C ATOM 570 NE ARG A 40 19.482 4.778 -2.647 1.00 2.49 N ATOM 571 CZ ARG A 40 20.669 4.216 -2.424 1.00 2.88 C ATOM 572 NH1 ARG A 40 21.698 4.491 -3.218 1.00 2.66 N ATOM 573 NH2 ARG A 40 20.831 3.388 -1.402 1.00 3.84 N ATOM 0 H ARG A 40 16.692 8.370 -6.883 1.00 0.97 H new ATOM 0 HA ARG A 40 15.348 6.663 -5.088 1.00 0.95 H new ATOM 0 HB2 ARG A 40 17.675 6.389 -5.932 1.00 1.10 H new ATOM 0 HB3 ARG A 40 18.168 7.811 -5.033 1.00 1.10 H new ATOM 0 HG2 ARG A 40 17.492 6.652 -2.909 1.00 1.80 H new ATOM 0 HG3 ARG A 40 17.120 5.217 -3.845 1.00 1.80 H new ATOM 0 HD2 ARG A 40 19.487 5.205 -4.694 1.00 1.93 H new ATOM 0 HD3 ARG A 40 19.837 6.574 -3.657 1.00 1.93 H new ATOM 0 HE ARG A 40 18.719 4.561 -2.006 1.00 2.49 H new ATOM 0 HH11 ARG A 40 21.580 5.134 -4.001 1.00 2.66 H new ATOM 0 HH12 ARG A 40 22.606 4.059 -3.045 1.00 2.66 H new ATOM 0 HH21 ARG A 40 20.046 3.180 -0.785 1.00 3.84 H new ATOM 0 HH22 ARG A 40 21.741 2.959 -1.233 1.00 3.84 H new ATOM 587 N PRO A 41 14.814 7.965 -3.010 1.00 0.85 N ATOM 588 CA PRO A 41 14.466 8.724 -1.806 1.00 0.87 C ATOM 589 C PRO A 41 15.618 8.787 -0.805 1.00 0.96 C ATOM 590 O PRO A 41 16.299 7.786 -0.561 1.00 1.05 O ATOM 591 CB PRO A 41 13.283 7.954 -1.216 1.00 0.88 C ATOM 592 CG PRO A 41 13.398 6.579 -1.773 1.00 0.96 C ATOM 593 CD PRO A 41 14.001 6.744 -3.143 1.00 0.86 C ATOM 0 HA PRO A 41 14.234 9.763 -2.039 1.00 0.87 H new ATOM 0 HB2 PRO A 41 13.324 7.943 -0.127 1.00 0.88 H new ATOM 0 HB3 PRO A 41 12.335 8.414 -1.495 1.00 0.88 H new ATOM 0 HG2 PRO A 41 14.027 5.952 -1.141 1.00 0.96 H new ATOM 0 HG3 PRO A 41 12.422 6.097 -1.830 1.00 0.96 H new ATOM 0 HD2 PRO A 41 14.610 5.884 -3.421 1.00 0.86 H new ATOM 0 HD3 PRO A 41 13.234 6.853 -3.910 1.00 0.86 H new ATOM 601 N ALA A 42 15.826 9.959 -0.227 1.00 1.05 N ATOM 602 CA ALA A 42 16.915 10.171 0.713 1.00 1.18 C ATOM 603 C ALA A 42 16.413 10.871 1.972 1.00 1.15 C ATOM 604 O ALA A 42 16.004 12.032 1.923 1.00 1.21 O ATOM 605 CB ALA A 42 18.017 10.987 0.059 1.00 1.41 C ATOM 0 H ALA A 42 15.250 10.784 -0.394 1.00 1.05 H new ATOM 0 HA ALA A 42 17.318 9.200 1.000 1.00 1.18 H new ATOM 0 HB1 ALA A 42 18.828 11.140 0.771 1.00 1.41 H new ATOM 0 HB2 ALA A 42 18.396 10.454 -0.813 1.00 1.41 H new ATOM 0 HB3 ALA A 42 17.619 11.953 -0.251 1.00 1.41 H new ATOM 611 N GLY A 43 16.432 10.162 3.091 1.00 1.17 N ATOM 612 CA GLY A 43 15.990 10.747 4.339 1.00 1.18 C ATOM 613 C GLY A 43 14.810 10.002 4.917 1.00 1.04 C ATOM 614 O GLY A 43 14.942 8.860 5.348 1.00 1.12 O ATOM 0 H GLY A 43 16.745 9.193 3.157 1.00 1.17 H new ATOM 0 HA2 GLY A 43 16.811 10.740 5.055 1.00 1.18 H new ATOM 0 HA3 GLY A 43 15.718 11.790 4.176 1.00 1.18 H new ATOM 618 N LYS A 44 13.651 10.642 4.916 1.00 1.00 N ATOM 619 CA LYS A 44 12.440 10.006 5.406 1.00 0.92 C ATOM 620 C LYS A 44 11.487 9.746 4.252 1.00 0.80 C ATOM 621 O LYS A 44 10.903 10.674 3.692 1.00 0.84 O ATOM 622 CB LYS A 44 11.760 10.878 6.462 1.00 1.04 C ATOM 623 CG LYS A 44 12.630 11.155 7.678 1.00 1.53 C ATOM 624 CD LYS A 44 11.893 11.978 8.725 1.00 1.94 C ATOM 625 CE LYS A 44 10.715 11.223 9.325 1.00 2.69 C ATOM 626 NZ LYS A 44 11.138 9.950 9.966 1.00 3.46 N ATOM 0 H LYS A 44 13.524 11.598 4.583 1.00 1.00 H new ATOM 0 HA LYS A 44 12.711 9.056 5.867 1.00 0.92 H new ATOM 0 HB2 LYS A 44 11.473 11.826 6.008 1.00 1.04 H new ATOM 0 HB3 LYS A 44 10.841 10.390 6.787 1.00 1.04 H new ATOM 0 HG2 LYS A 44 12.951 10.211 8.118 1.00 1.53 H new ATOM 0 HG3 LYS A 44 13.531 11.685 7.367 1.00 1.53 H new ATOM 0 HD2 LYS A 44 12.586 12.257 9.519 1.00 1.94 H new ATOM 0 HD3 LYS A 44 11.537 12.903 8.273 1.00 1.94 H new ATOM 0 HE2 LYS A 44 10.218 11.853 10.063 1.00 2.69 H new ATOM 0 HE3 LYS A 44 9.985 11.011 8.544 1.00 2.69 H new ATOM 0 HZ1 LYS A 44 10.684 9.863 10.898 1.00 3.46 H new ATOM 0 HZ2 LYS A 44 10.855 9.149 9.367 1.00 3.46 H new ATOM 0 HZ3 LYS A 44 12.171 9.947 10.083 1.00 3.46 H new ATOM 640 N TRP A 45 11.336 8.483 3.893 1.00 0.72 N ATOM 641 CA TRP A 45 10.471 8.111 2.791 1.00 0.62 C ATOM 642 C TRP A 45 9.178 7.487 3.301 1.00 0.53 C ATOM 643 O TRP A 45 9.187 6.668 4.225 1.00 0.53 O ATOM 644 CB TRP A 45 11.184 7.145 1.839 1.00 0.62 C ATOM 645 CG TRP A 45 10.315 6.705 0.700 1.00 0.55 C ATOM 646 CD1 TRP A 45 9.920 7.463 -0.364 1.00 0.57 C ATOM 647 CD2 TRP A 45 9.724 5.412 0.512 1.00 0.48 C ATOM 648 NE1 TRP A 45 9.115 6.728 -1.194 1.00 0.51 N ATOM 649 CE2 TRP A 45 8.981 5.466 -0.682 1.00 0.46 C ATOM 650 CE3 TRP A 45 9.750 4.215 1.235 1.00 0.47 C ATOM 651 CZ2 TRP A 45 8.270 4.376 -1.167 1.00 0.43 C ATOM 652 CZ3 TRP A 45 9.044 3.129 0.749 1.00 0.44 C ATOM 653 CH2 TRP A 45 8.313 3.216 -0.441 1.00 0.42 C ATOM 0 H TRP A 45 11.802 7.699 4.350 1.00 0.72 H new ATOM 0 HA TRP A 45 10.224 9.019 2.242 1.00 0.62 H new ATOM 0 HB2 TRP A 45 12.078 7.626 1.443 1.00 0.62 H new ATOM 0 HB3 TRP A 45 11.514 6.269 2.398 1.00 0.62 H new ATOM 0 HD1 TRP A 45 10.201 8.493 -0.528 1.00 0.57 H new ATOM 0 HE1 TRP A 45 8.685 7.067 -2.055 1.00 0.51 H new ATOM 0 HE3 TRP A 45 10.311 4.140 2.155 1.00 0.47 H new ATOM 0 HZ2 TRP A 45 7.703 4.441 -2.084 1.00 0.43 H new ATOM 0 HZ3 TRP A 45 9.057 2.199 1.297 1.00 0.44 H new ATOM 0 HH2 TRP A 45 7.772 2.351 -0.794 1.00 0.42 H new ATOM 664 N GLU A 46 8.073 7.891 2.699 1.00 0.51 N ATOM 665 CA GLU A 46 6.766 7.355 3.032 1.00 0.48 C ATOM 666 C GLU A 46 6.169 6.647 1.818 1.00 0.39 C ATOM 667 O GLU A 46 6.120 7.213 0.723 1.00 0.42 O ATOM 668 CB GLU A 46 5.840 8.483 3.486 1.00 0.60 C ATOM 669 CG GLU A 46 5.885 9.697 2.571 1.00 1.17 C ATOM 670 CD GLU A 46 4.749 10.661 2.815 1.00 1.33 C ATOM 671 OE1 GLU A 46 4.900 11.566 3.664 1.00 1.73 O ATOM 672 OE2 GLU A 46 3.703 10.523 2.148 1.00 1.82 O ATOM 0 H GLU A 46 8.057 8.600 1.966 1.00 0.51 H new ATOM 0 HA GLU A 46 6.874 6.636 3.844 1.00 0.48 H new ATOM 0 HB2 GLU A 46 4.817 8.109 3.533 1.00 0.60 H new ATOM 0 HB3 GLU A 46 6.115 8.786 4.496 1.00 0.60 H new ATOM 0 HG2 GLU A 46 6.832 10.217 2.713 1.00 1.17 H new ATOM 0 HG3 GLU A 46 5.856 9.365 1.533 1.00 1.17 H new ATOM 679 N CYS A 47 5.730 5.409 2.004 1.00 0.32 N ATOM 680 CA CYS A 47 5.118 4.660 0.913 1.00 0.28 C ATOM 681 C CYS A 47 3.785 5.300 0.530 1.00 0.26 C ATOM 682 O CYS A 47 3.095 5.871 1.380 1.00 0.27 O ATOM 683 CB CYS A 47 4.901 3.191 1.309 1.00 0.28 C ATOM 684 SG CYS A 47 3.522 2.918 2.446 1.00 0.26 S ATOM 0 H CYS A 47 5.785 4.906 2.890 1.00 0.32 H new ATOM 0 HA CYS A 47 5.792 4.686 0.057 1.00 0.28 H new ATOM 0 HB2 CYS A 47 4.732 2.605 0.405 1.00 0.28 H new ATOM 0 HB3 CYS A 47 5.814 2.813 1.768 1.00 0.28 H new ATOM 689 N PRO A 48 3.411 5.222 -0.760 1.00 0.27 N ATOM 690 CA PRO A 48 2.154 5.795 -1.269 1.00 0.29 C ATOM 691 C PRO A 48 0.918 5.123 -0.675 1.00 0.27 C ATOM 692 O PRO A 48 -0.209 5.556 -0.910 1.00 0.30 O ATOM 693 CB PRO A 48 2.224 5.540 -2.779 1.00 0.35 C ATOM 694 CG PRO A 48 3.188 4.415 -2.936 1.00 0.34 C ATOM 695 CD PRO A 48 4.194 4.584 -1.836 1.00 0.29 C ATOM 0 HA PRO A 48 2.059 6.848 -1.004 1.00 0.29 H new ATOM 0 HB2 PRO A 48 1.245 5.280 -3.181 1.00 0.35 H new ATOM 0 HB3 PRO A 48 2.563 6.427 -3.314 1.00 0.35 H new ATOM 0 HG2 PRO A 48 2.682 3.453 -2.859 1.00 0.34 H new ATOM 0 HG3 PRO A 48 3.669 4.445 -3.914 1.00 0.34 H new ATOM 0 HD2 PRO A 48 4.609 3.627 -1.519 1.00 0.29 H new ATOM 0 HD3 PRO A 48 5.032 5.207 -2.148 1.00 0.29 H new ATOM 703 N TRP A 49 1.146 4.077 0.111 1.00 0.24 N ATOM 704 CA TRP A 49 0.072 3.338 0.764 1.00 0.23 C ATOM 705 C TRP A 49 -0.442 4.125 1.975 1.00 0.23 C ATOM 706 O TRP A 49 -1.340 3.682 2.685 1.00 0.27 O ATOM 707 CB TRP A 49 0.594 1.959 1.199 1.00 0.22 C ATOM 708 CG TRP A 49 -0.461 0.899 1.350 1.00 0.22 C ATOM 709 CD1 TRP A 49 -1.549 0.699 0.548 1.00 0.25 C ATOM 710 CD2 TRP A 49 -0.504 -0.133 2.347 1.00 0.24 C ATOM 711 NE1 TRP A 49 -2.264 -0.392 0.985 1.00 0.27 N ATOM 712 CE2 TRP A 49 -1.647 -0.915 2.090 1.00 0.26 C ATOM 713 CE3 TRP A 49 0.308 -0.468 3.437 1.00 0.27 C ATOM 714 CZ2 TRP A 49 -1.993 -2.013 2.876 1.00 0.30 C ATOM 715 CZ3 TRP A 49 -0.037 -1.556 4.216 1.00 0.31 C ATOM 716 CH2 TRP A 49 -1.181 -2.317 3.933 1.00 0.32 C ATOM 0 H TRP A 49 2.079 3.718 0.313 1.00 0.24 H new ATOM 0 HA TRP A 49 -0.754 3.201 0.067 1.00 0.23 H new ATOM 0 HB2 TRP A 49 1.328 1.618 0.469 1.00 0.22 H new ATOM 0 HB3 TRP A 49 1.117 2.068 2.149 1.00 0.22 H new ATOM 0 HD1 TRP A 49 -1.810 1.309 -0.305 1.00 0.25 H new ATOM 0 HE1 TRP A 49 -3.116 -0.753 0.555 1.00 0.27 H new ATOM 0 HE3 TRP A 49 1.189 0.114 3.665 1.00 0.27 H new ATOM 0 HZ2 TRP A 49 -2.871 -2.603 2.658 1.00 0.30 H new ATOM 0 HZ3 TRP A 49 0.585 -1.825 5.057 1.00 0.31 H new ATOM 0 HH2 TRP A 49 -1.425 -3.160 4.563 1.00 0.32 H new ATOM 727 N HIS A 50 0.154 5.290 2.215 1.00 0.23 N ATOM 728 CA HIS A 50 -0.300 6.173 3.285 1.00 0.24 C ATOM 729 C HIS A 50 -1.004 7.391 2.712 1.00 0.25 C ATOM 730 O HIS A 50 -1.446 8.274 3.450 1.00 0.29 O ATOM 731 CB HIS A 50 0.872 6.642 4.150 1.00 0.27 C ATOM 732 CG HIS A 50 1.658 5.533 4.772 1.00 0.28 C ATOM 733 ND1 HIS A 50 2.962 5.501 5.135 1.00 0.32 N flip ATOM 734 CD2 HIS A 50 1.139 4.302 5.103 1.00 0.30 C flip ATOM 735 CE1 HIS A 50 3.254 4.261 5.690 1.00 0.35 C flip ATOM 736 NE2 HIS A 50 2.125 3.574 5.647 1.00 0.34 N flip ATOM 0 H HIS A 50 0.950 5.644 1.685 1.00 0.23 H new ATOM 0 HA HIS A 50 -0.995 5.603 3.902 1.00 0.24 H new ATOM 0 HB2 HIS A 50 1.541 7.247 3.538 1.00 0.27 H new ATOM 0 HB3 HIS A 50 0.490 7.289 4.940 1.00 0.27 H new ATOM 0 HD2 HIS A 50 0.119 3.980 4.952 1.00 0.30 H new ATOM 0 HE1 HIS A 50 4.206 3.927 6.076 1.00 0.35 H new ATOM 0 HE2 HIS A 50 2.018 2.617 5.983 1.00 0.34 H new ATOM 744 N GLN A 51 -1.105 7.438 1.394 1.00 0.25 N ATOM 745 CA GLN A 51 -1.711 8.574 0.722 1.00 0.28 C ATOM 746 C GLN A 51 -2.928 8.132 -0.072 1.00 0.24 C ATOM 747 O GLN A 51 -2.948 7.049 -0.655 1.00 0.26 O ATOM 748 CB GLN A 51 -0.704 9.266 -0.201 1.00 0.38 C ATOM 749 CG GLN A 51 0.528 9.782 0.520 1.00 0.48 C ATOM 750 CD GLN A 51 0.199 10.801 1.598 1.00 0.55 C ATOM 751 OE1 GLN A 51 -0.809 11.498 1.529 1.00 0.83 O ATOM 752 NE2 GLN A 51 1.074 10.931 2.581 1.00 0.86 N ATOM 0 H GLN A 51 -0.775 6.703 0.769 1.00 0.25 H new ATOM 0 HA GLN A 51 -2.025 9.288 1.483 1.00 0.28 H new ATOM 0 HB2 GLN A 51 -0.394 8.566 -0.976 1.00 0.38 H new ATOM 0 HB3 GLN A 51 -1.197 10.099 -0.702 1.00 0.38 H new ATOM 0 HG2 GLN A 51 1.058 8.942 0.970 1.00 0.48 H new ATOM 0 HG3 GLN A 51 1.205 10.234 -0.205 1.00 0.48 H new ATOM 0 HE21 GLN A 51 1.902 10.336 2.609 1.00 0.86 H new ATOM 0 HE22 GLN A 51 0.921 11.627 3.311 1.00 0.86 H new ATOM 761 N CYS A 52 -3.944 8.968 -0.068 1.00 0.23 N ATOM 762 CA CYS A 52 -5.160 8.707 -0.813 1.00 0.21 C ATOM 763 C CYS A 52 -4.890 8.849 -2.300 1.00 0.26 C ATOM 764 O CYS A 52 -4.493 9.912 -2.757 1.00 0.31 O ATOM 765 CB CYS A 52 -6.241 9.692 -0.378 1.00 0.22 C ATOM 766 SG CYS A 52 -7.832 9.517 -1.224 1.00 0.23 S ATOM 0 H CYS A 52 -3.952 9.846 0.450 1.00 0.23 H new ATOM 0 HA CYS A 52 -5.501 7.691 -0.613 1.00 0.21 H new ATOM 0 HB2 CYS A 52 -6.403 9.578 0.694 1.00 0.22 H new ATOM 0 HB3 CYS A 52 -5.872 10.705 -0.538 1.00 0.22 H new ATOM 771 N ASP A 53 -5.117 7.783 -3.047 1.00 0.28 N ATOM 772 CA ASP A 53 -4.832 7.782 -4.482 1.00 0.35 C ATOM 773 C ASP A 53 -5.716 8.783 -5.231 1.00 0.36 C ATOM 774 O ASP A 53 -5.425 9.154 -6.367 1.00 0.42 O ATOM 775 CB ASP A 53 -5.015 6.374 -5.061 1.00 0.39 C ATOM 776 CG ASP A 53 -4.643 6.289 -6.528 1.00 0.51 C ATOM 777 OD1 ASP A 53 -5.489 5.861 -7.341 1.00 0.56 O ATOM 778 OD2 ASP A 53 -3.506 6.675 -6.878 1.00 0.64 O ATOM 0 H ASP A 53 -5.497 6.906 -2.690 1.00 0.28 H new ATOM 0 HA ASP A 53 -3.795 8.089 -4.615 1.00 0.35 H new ATOM 0 HB2 ASP A 53 -4.404 5.671 -4.495 1.00 0.39 H new ATOM 0 HB3 ASP A 53 -6.053 6.067 -4.936 1.00 0.39 H new ATOM 783 N VAL A 54 -6.782 9.242 -4.585 1.00 0.33 N ATOM 784 CA VAL A 54 -7.699 10.176 -5.218 1.00 0.36 C ATOM 785 C VAL A 54 -7.262 11.628 -5.015 1.00 0.37 C ATOM 786 O VAL A 54 -7.149 12.381 -5.981 1.00 0.44 O ATOM 787 CB VAL A 54 -9.142 9.997 -4.704 1.00 0.34 C ATOM 788 CG1 VAL A 54 -10.076 10.985 -5.379 1.00 0.38 C ATOM 789 CG2 VAL A 54 -9.624 8.577 -4.939 1.00 0.33 C ATOM 0 H VAL A 54 -7.030 8.983 -3.630 1.00 0.33 H new ATOM 0 HA VAL A 54 -7.676 9.950 -6.284 1.00 0.36 H new ATOM 0 HB VAL A 54 -9.145 10.191 -3.631 1.00 0.34 H new ATOM 0 HG11 VAL A 54 -11.089 10.843 -5.003 1.00 0.38 H new ATOM 0 HG12 VAL A 54 -9.748 12.002 -5.163 1.00 0.38 H new ATOM 0 HG13 VAL A 54 -10.062 10.821 -6.456 1.00 0.38 H new ATOM 0 HG21 VAL A 54 -10.644 8.473 -4.569 1.00 0.33 H new ATOM 0 HG22 VAL A 54 -9.601 8.357 -6.006 1.00 0.33 H new ATOM 0 HG23 VAL A 54 -8.974 7.880 -4.411 1.00 0.33 H new ATOM 799 N CYS A 55 -7.007 12.027 -3.769 1.00 0.34 N ATOM 800 CA CYS A 55 -6.688 13.429 -3.494 1.00 0.36 C ATOM 801 C CYS A 55 -5.221 13.633 -3.096 1.00 0.35 C ATOM 802 O CYS A 55 -4.750 14.767 -2.997 1.00 0.41 O ATOM 803 CB CYS A 55 -7.625 14.001 -2.423 1.00 0.37 C ATOM 804 SG CYS A 55 -7.568 13.169 -0.814 1.00 0.32 S ATOM 0 H CYS A 55 -7.014 11.417 -2.952 1.00 0.34 H new ATOM 0 HA CYS A 55 -6.842 13.975 -4.425 1.00 0.36 H new ATOM 0 HB2 CYS A 55 -7.383 15.054 -2.277 1.00 0.37 H new ATOM 0 HB3 CYS A 55 -8.647 13.958 -2.799 1.00 0.37 H new ATOM 809 N GLY A 56 -4.503 12.541 -2.867 1.00 0.33 N ATOM 810 CA GLY A 56 -3.091 12.632 -2.547 1.00 0.36 C ATOM 811 C GLY A 56 -2.828 13.014 -1.104 1.00 0.38 C ATOM 812 O GLY A 56 -1.681 13.223 -0.715 1.00 0.49 O ATOM 0 H GLY A 56 -4.874 11.591 -2.897 1.00 0.33 H new ATOM 0 HA2 GLY A 56 -2.616 11.673 -2.754 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -2.624 13.368 -3.202 1.00 0.36 H new ATOM 816 N LYS A 57 -3.882 13.113 -0.304 1.00 0.35 N ATOM 817 CA LYS A 57 -3.728 13.486 1.093 1.00 0.39 C ATOM 818 C LYS A 57 -3.800 12.259 1.998 1.00 0.33 C ATOM 819 O LYS A 57 -3.909 11.135 1.509 1.00 0.33 O ATOM 820 CB LYS A 57 -4.784 14.518 1.498 1.00 0.48 C ATOM 821 CG LYS A 57 -4.806 15.737 0.590 1.00 0.65 C ATOM 822 CD LYS A 57 -5.562 16.913 1.196 1.00 0.78 C ATOM 823 CE LYS A 57 -7.026 16.594 1.477 1.00 1.16 C ATOM 824 NZ LYS A 57 -7.235 16.046 2.844 1.00 1.91 N ATOM 0 H LYS A 57 -4.844 12.942 -0.597 1.00 0.35 H new ATOM 0 HA LYS A 57 -2.743 13.937 1.214 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -5.767 14.047 1.487 1.00 0.48 H new ATOM 0 HB3 LYS A 57 -4.596 14.839 2.523 1.00 0.48 H new ATOM 0 HG2 LYS A 57 -3.782 16.042 0.374 1.00 0.65 H new ATOM 0 HG3 LYS A 57 -5.265 15.467 -0.361 1.00 0.65 H new ATOM 0 HD2 LYS A 57 -5.076 17.212 2.125 1.00 0.78 H new ATOM 0 HD3 LYS A 57 -5.504 17.764 0.518 1.00 0.78 H new ATOM 0 HE2 LYS A 57 -7.622 17.499 1.356 1.00 1.16 H new ATOM 0 HE3 LYS A 57 -7.386 15.875 0.741 1.00 1.16 H new ATOM 0 HZ1 LYS A 57 -8.176 16.324 3.189 1.00 1.91 H new ATOM 0 HZ2 LYS A 57 -7.169 15.009 2.816 1.00 1.91 H new ATOM 0 HZ3 LYS A 57 -6.507 16.422 3.484 1.00 1.91 H new ATOM 838 N GLU A 58 -3.747 12.495 3.305 1.00 0.35 N ATOM 839 CA GLU A 58 -3.710 11.436 4.317 1.00 0.37 C ATOM 840 C GLU A 58 -4.745 10.341 4.042 1.00 0.30 C ATOM 841 O GLU A 58 -5.935 10.619 3.888 1.00 0.36 O ATOM 842 CB GLU A 58 -3.972 12.049 5.694 1.00 0.51 C ATOM 843 CG GLU A 58 -3.745 11.097 6.857 1.00 0.88 C ATOM 844 CD GLU A 58 -2.277 10.852 7.134 1.00 1.30 C ATOM 845 OE1 GLU A 58 -1.623 11.740 7.726 1.00 1.50 O ATOM 846 OE2 GLU A 58 -1.772 9.767 6.781 1.00 2.03 O ATOM 0 H GLU A 58 -3.728 13.436 3.699 1.00 0.35 H new ATOM 0 HA GLU A 58 -2.723 10.974 4.283 1.00 0.37 H new ATOM 0 HB2 GLU A 58 -3.327 12.918 5.820 1.00 0.51 H new ATOM 0 HB3 GLU A 58 -5.001 12.408 5.729 1.00 0.51 H new ATOM 0 HG2 GLU A 58 -4.216 11.504 7.752 1.00 0.88 H new ATOM 0 HG3 GLU A 58 -4.234 10.146 6.644 1.00 0.88 H new ATOM 853 N ALA A 59 -4.281 9.103 3.961 1.00 0.26 N ATOM 854 CA ALA A 59 -5.171 7.966 3.782 1.00 0.21 C ATOM 855 C ALA A 59 -5.621 7.419 5.129 1.00 0.23 C ATOM 856 O ALA A 59 -4.858 7.421 6.100 1.00 0.30 O ATOM 857 CB ALA A 59 -4.485 6.876 2.982 1.00 0.22 C ATOM 0 H ALA A 59 -3.292 8.860 4.016 1.00 0.26 H new ATOM 0 HA ALA A 59 -6.049 8.305 3.233 1.00 0.21 H new ATOM 0 HB1 ALA A 59 -5.165 6.033 2.858 1.00 0.22 H new ATOM 0 HB2 ALA A 59 -4.206 7.264 2.003 1.00 0.22 H new ATOM 0 HB3 ALA A 59 -3.590 6.546 3.510 1.00 0.22 H new ATOM 863 N ALA A 60 -6.859 6.948 5.182 1.00 0.20 N ATOM 864 CA ALA A 60 -7.429 6.426 6.412 1.00 0.23 C ATOM 865 C ALA A 60 -7.595 4.916 6.338 1.00 0.23 C ATOM 866 O ALA A 60 -7.360 4.208 7.316 1.00 0.30 O ATOM 867 CB ALA A 60 -8.762 7.095 6.701 1.00 0.27 C ATOM 0 H ALA A 60 -7.490 6.918 4.381 1.00 0.20 H new ATOM 0 HA ALA A 60 -6.742 6.649 7.228 1.00 0.23 H new ATOM 0 HB1 ALA A 60 -9.177 6.694 7.626 1.00 0.27 H new ATOM 0 HB2 ALA A 60 -8.615 8.170 6.806 1.00 0.27 H new ATOM 0 HB3 ALA A 60 -9.452 6.902 5.879 1.00 0.27 H new ATOM 873 N SER A 61 -8.000 4.423 5.177 1.00 0.21 N ATOM 874 CA SER A 61 -8.172 2.997 4.982 1.00 0.23 C ATOM 875 C SER A 61 -7.254 2.510 3.866 1.00 0.20 C ATOM 876 O SER A 61 -6.937 3.260 2.936 1.00 0.30 O ATOM 877 CB SER A 61 -9.637 2.684 4.674 1.00 0.30 C ATOM 878 OG SER A 61 -10.097 3.435 3.566 1.00 0.35 O ATOM 0 H SER A 61 -8.215 4.992 4.358 1.00 0.21 H new ATOM 0 HA SER A 61 -7.900 2.470 5.897 1.00 0.23 H new ATOM 0 HB2 SER A 61 -9.749 1.620 4.467 1.00 0.30 H new ATOM 0 HB3 SER A 61 -10.251 2.905 5.547 1.00 0.30 H new ATOM 0 HG SER A 61 -10.169 4.379 3.818 1.00 0.35 H new ATOM 884 N PHE A 62 -6.823 1.262 3.966 1.00 0.21 N ATOM 885 CA PHE A 62 -5.813 0.726 3.067 1.00 0.20 C ATOM 886 C PHE A 62 -6.311 -0.567 2.428 1.00 0.19 C ATOM 887 O PHE A 62 -6.781 -1.461 3.130 1.00 0.22 O ATOM 888 CB PHE A 62 -4.523 0.453 3.859 1.00 0.26 C ATOM 889 CG PHE A 62 -4.211 1.513 4.885 1.00 0.30 C ATOM 890 CD1 PHE A 62 -4.485 1.292 6.226 1.00 0.68 C ATOM 891 CD2 PHE A 62 -3.672 2.733 4.511 1.00 0.29 C ATOM 892 CE1 PHE A 62 -4.225 2.266 7.172 1.00 0.76 C ATOM 893 CE2 PHE A 62 -3.407 3.708 5.454 1.00 0.29 C ATOM 894 CZ PHE A 62 -3.686 3.476 6.784 1.00 0.47 C ATOM 0 H PHE A 62 -7.159 0.599 4.664 1.00 0.21 H new ATOM 0 HA PHE A 62 -5.612 1.451 2.278 1.00 0.20 H new ATOM 0 HB2 PHE A 62 -4.611 -0.511 4.360 1.00 0.26 H new ATOM 0 HB3 PHE A 62 -3.688 0.376 3.163 1.00 0.26 H new ATOM 0 HD1 PHE A 62 -4.907 0.347 6.535 1.00 0.68 H new ATOM 0 HD2 PHE A 62 -3.456 2.925 3.470 1.00 0.29 H new ATOM 0 HE1 PHE A 62 -4.443 2.080 8.213 1.00 0.76 H new ATOM 0 HE2 PHE A 62 -2.981 4.652 5.149 1.00 0.29 H new ATOM 0 HZ PHE A 62 -3.483 4.239 7.521 1.00 0.47 H new ATOM 904 N CYS A 63 -6.237 -0.659 1.101 1.00 0.18 N ATOM 905 CA CYS A 63 -6.606 -1.894 0.417 1.00 0.18 C ATOM 906 C CYS A 63 -5.593 -2.985 0.744 1.00 0.19 C ATOM 907 O CYS A 63 -4.395 -2.820 0.517 1.00 0.22 O ATOM 908 CB CYS A 63 -6.697 -1.701 -1.104 1.00 0.20 C ATOM 909 SG CYS A 63 -7.414 -3.121 -1.969 1.00 0.23 S ATOM 0 H CYS A 63 -5.930 0.095 0.487 1.00 0.18 H new ATOM 0 HA CYS A 63 -7.594 -2.189 0.770 1.00 0.18 H new ATOM 0 HB2 CYS A 63 -7.297 -0.816 -1.315 1.00 0.20 H new ATOM 0 HB3 CYS A 63 -5.699 -1.511 -1.499 1.00 0.20 H new ATOM 914 N GLU A 64 -6.080 -4.101 1.262 1.00 0.19 N ATOM 915 CA GLU A 64 -5.210 -5.190 1.685 1.00 0.23 C ATOM 916 C GLU A 64 -4.876 -6.108 0.514 1.00 0.25 C ATOM 917 O GLU A 64 -4.396 -7.224 0.703 1.00 0.29 O ATOM 918 CB GLU A 64 -5.870 -5.996 2.807 1.00 0.24 C ATOM 919 CG GLU A 64 -6.168 -5.178 4.056 1.00 0.24 C ATOM 920 CD GLU A 64 -6.850 -5.996 5.132 1.00 0.29 C ATOM 921 OE1 GLU A 64 -6.165 -6.447 6.072 1.00 0.42 O ATOM 922 OE2 GLU A 64 -8.079 -6.197 5.041 1.00 0.32 O ATOM 0 H GLU A 64 -7.075 -4.278 1.400 1.00 0.19 H new ATOM 0 HA GLU A 64 -4.283 -4.754 2.058 1.00 0.23 H new ATOM 0 HB2 GLU A 64 -6.800 -6.426 2.435 1.00 0.24 H new ATOM 0 HB3 GLU A 64 -5.219 -6.828 3.075 1.00 0.24 H new ATOM 0 HG2 GLU A 64 -5.238 -4.769 4.449 1.00 0.24 H new ATOM 0 HG3 GLU A 64 -6.802 -4.332 3.790 1.00 0.24 H new ATOM 929 N MET A 65 -5.144 -5.644 -0.697 1.00 0.27 N ATOM 930 CA MET A 65 -4.850 -6.434 -1.888 1.00 0.32 C ATOM 931 C MET A 65 -3.933 -5.685 -2.849 1.00 0.35 C ATOM 932 O MET A 65 -3.415 -6.272 -3.797 1.00 0.44 O ATOM 933 CB MET A 65 -6.139 -6.817 -2.609 1.00 0.34 C ATOM 934 CG MET A 65 -7.104 -7.625 -1.755 1.00 0.36 C ATOM 935 SD MET A 65 -8.640 -8.016 -2.614 1.00 0.70 S ATOM 936 CE MET A 65 -8.029 -9.022 -3.965 1.00 1.54 C ATOM 0 H MET A 65 -5.561 -4.732 -0.883 1.00 0.27 H new ATOM 0 HA MET A 65 -4.336 -7.337 -1.557 1.00 0.32 H new ATOM 0 HB2 MET A 65 -6.639 -5.909 -2.946 1.00 0.34 H new ATOM 0 HB3 MET A 65 -5.888 -7.392 -3.500 1.00 0.34 H new ATOM 0 HG2 MET A 65 -6.620 -8.552 -1.446 1.00 0.36 H new ATOM 0 HG3 MET A 65 -7.333 -7.067 -0.847 1.00 0.36 H new ATOM 0 HE1 MET A 65 -8.848 -9.609 -4.381 1.00 1.54 H new ATOM 0 HE2 MET A 65 -7.615 -8.377 -4.740 1.00 1.54 H new ATOM 0 HE3 MET A 65 -7.252 -9.692 -3.597 1.00 1.54 H new ATOM 946 N CYS A 66 -3.717 -4.396 -2.606 1.00 0.32 N ATOM 947 CA CYS A 66 -2.898 -3.592 -3.501 1.00 0.34 C ATOM 948 C CYS A 66 -2.491 -2.292 -2.805 1.00 0.33 C ATOM 949 O CYS A 66 -3.095 -1.919 -1.800 1.00 0.32 O ATOM 950 CB CYS A 66 -3.679 -3.281 -4.782 1.00 0.35 C ATOM 951 SG CYS A 66 -4.954 -2.021 -4.574 1.00 0.32 S ATOM 0 H CYS A 66 -4.095 -3.891 -1.804 1.00 0.32 H new ATOM 0 HA CYS A 66 -1.999 -4.150 -3.762 1.00 0.34 H new ATOM 0 HB2 CYS A 66 -2.980 -2.953 -5.551 1.00 0.35 H new ATOM 0 HB3 CYS A 66 -4.144 -4.198 -5.144 1.00 0.35 H new ATOM 956 N PRO A 67 -1.469 -1.582 -3.328 1.00 0.35 N ATOM 957 CA PRO A 67 -0.978 -0.327 -2.736 1.00 0.37 C ATOM 958 C PRO A 67 -1.918 0.860 -2.967 1.00 0.37 C ATOM 959 O PRO A 67 -1.466 2.006 -3.058 1.00 0.46 O ATOM 960 CB PRO A 67 0.362 -0.081 -3.455 1.00 0.41 C ATOM 961 CG PRO A 67 0.656 -1.344 -4.192 1.00 0.42 C ATOM 962 CD PRO A 67 -0.685 -1.940 -4.517 1.00 0.38 C ATOM 0 HA PRO A 67 -0.896 -0.414 -1.653 1.00 0.37 H new ATOM 0 HB2 PRO A 67 0.291 0.765 -4.139 1.00 0.41 H new ATOM 0 HB3 PRO A 67 1.153 0.151 -2.742 1.00 0.41 H new ATOM 0 HG2 PRO A 67 1.227 -1.145 -5.099 1.00 0.42 H new ATOM 0 HG3 PRO A 67 1.251 -2.025 -3.583 1.00 0.42 H new ATOM 0 HD2 PRO A 67 -1.109 -1.519 -5.429 1.00 0.38 H new ATOM 0 HD3 PRO A 67 -0.629 -3.019 -4.660 1.00 0.38 H new ATOM 970 N SER A 68 -3.213 0.593 -3.079 1.00 0.33 N ATOM 971 CA SER A 68 -4.200 1.653 -3.210 1.00 0.33 C ATOM 972 C SER A 68 -4.839 1.957 -1.857 1.00 0.27 C ATOM 973 O SER A 68 -5.421 1.079 -1.216 1.00 0.40 O ATOM 974 CB SER A 68 -5.276 1.264 -4.225 1.00 0.37 C ATOM 975 OG SER A 68 -4.698 0.940 -5.480 1.00 0.46 O ATOM 0 H SER A 68 -3.603 -0.350 -3.082 1.00 0.33 H new ATOM 0 HA SER A 68 -3.693 2.549 -3.567 1.00 0.33 H new ATOM 0 HB2 SER A 68 -5.843 0.412 -3.851 1.00 0.37 H new ATOM 0 HB3 SER A 68 -5.981 2.087 -4.347 1.00 0.37 H new ATOM 0 HG SER A 68 -4.568 -0.029 -5.540 1.00 0.46 H new ATOM 981 N SER A 69 -4.719 3.198 -1.429 1.00 0.21 N ATOM 982 CA SER A 69 -5.269 3.637 -0.160 1.00 0.17 C ATOM 983 C SER A 69 -6.119 4.886 -0.362 1.00 0.16 C ATOM 984 O SER A 69 -5.905 5.639 -1.315 1.00 0.18 O ATOM 985 CB SER A 69 -4.126 3.905 0.820 1.00 0.24 C ATOM 986 OG SER A 69 -3.036 4.531 0.160 1.00 0.38 O ATOM 0 H SER A 69 -4.238 3.931 -1.950 1.00 0.21 H new ATOM 0 HA SER A 69 -5.910 2.857 0.252 1.00 0.17 H new ATOM 0 HB2 SER A 69 -4.479 4.540 1.633 1.00 0.24 H new ATOM 0 HB3 SER A 69 -3.797 2.967 1.268 1.00 0.24 H new ATOM 0 HG SER A 69 -3.312 5.415 -0.160 1.00 0.38 H new ATOM 992 N PHE A 70 -7.086 5.112 0.523 1.00 0.15 N ATOM 993 CA PHE A 70 -8.012 6.224 0.357 1.00 0.15 C ATOM 994 C PHE A 70 -8.238 6.945 1.679 1.00 0.16 C ATOM 995 O PHE A 70 -8.079 6.366 2.755 1.00 0.18 O ATOM 996 CB PHE A 70 -9.353 5.725 -0.191 1.00 0.16 C ATOM 997 CG PHE A 70 -9.246 4.968 -1.485 1.00 0.18 C ATOM 998 CD1 PHE A 70 -8.984 5.637 -2.668 1.00 0.21 C ATOM 999 CD2 PHE A 70 -9.408 3.594 -1.517 1.00 0.21 C ATOM 1000 CE1 PHE A 70 -8.885 4.949 -3.862 1.00 0.24 C ATOM 1001 CE2 PHE A 70 -9.311 2.899 -2.708 1.00 0.24 C ATOM 1002 CZ PHE A 70 -9.046 3.560 -3.872 1.00 0.25 C ATOM 0 H PHE A 70 -7.247 4.544 1.355 1.00 0.15 H new ATOM 0 HA PHE A 70 -7.571 6.924 -0.353 1.00 0.15 H new ATOM 0 HB2 PHE A 70 -9.821 5.083 0.555 1.00 0.16 H new ATOM 0 HB3 PHE A 70 -10.014 6.579 -0.336 1.00 0.16 H new ATOM 0 HD1 PHE A 70 -8.855 6.709 -2.658 1.00 0.21 H new ATOM 0 HD2 PHE A 70 -9.612 3.059 -0.601 1.00 0.21 H new ATOM 0 HE1 PHE A 70 -8.685 5.480 -4.781 1.00 0.24 H new ATOM 0 HE2 PHE A 70 -9.446 1.827 -2.717 1.00 0.24 H new ATOM 0 HZ PHE A 70 -8.961 3.012 -4.799 1.00 0.25 H new ATOM 1012 N CYS A 71 -8.598 8.219 1.588 1.00 0.18 N ATOM 1013 CA CYS A 71 -8.915 9.009 2.768 1.00 0.22 C ATOM 1014 C CYS A 71 -10.339 8.713 3.221 1.00 0.23 C ATOM 1015 O CYS A 71 -11.049 7.959 2.556 1.00 0.22 O ATOM 1016 CB CYS A 71 -8.759 10.502 2.468 1.00 0.26 C ATOM 1017 SG CYS A 71 -9.987 11.150 1.311 1.00 0.26 S ATOM 0 H CYS A 71 -8.677 8.727 0.707 1.00 0.18 H new ATOM 0 HA CYS A 71 -8.223 8.741 3.566 1.00 0.22 H new ATOM 0 HB2 CYS A 71 -8.826 11.059 3.403 1.00 0.26 H new ATOM 0 HB3 CYS A 71 -7.763 10.679 2.062 1.00 0.26 H new ATOM 1022 N LYS A 72 -10.765 9.306 4.327 1.00 0.29 N ATOM 1023 CA LYS A 72 -12.110 9.066 4.847 1.00 0.33 C ATOM 1024 C LYS A 72 -13.183 9.400 3.810 1.00 0.34 C ATOM 1025 O LYS A 72 -14.184 8.689 3.688 1.00 0.38 O ATOM 1026 CB LYS A 72 -12.344 9.873 6.122 1.00 0.40 C ATOM 1027 CG LYS A 72 -11.515 9.395 7.301 1.00 0.46 C ATOM 1028 CD LYS A 72 -11.801 10.200 8.555 1.00 0.60 C ATOM 1029 CE LYS A 72 -10.889 9.783 9.695 1.00 0.71 C ATOM 1030 NZ LYS A 72 -9.465 10.116 9.427 1.00 1.23 N ATOM 0 H LYS A 72 -10.205 9.954 4.881 1.00 0.29 H new ATOM 0 HA LYS A 72 -12.186 8.004 5.079 1.00 0.33 H new ATOM 0 HB2 LYS A 72 -12.114 10.920 5.927 1.00 0.40 H new ATOM 0 HB3 LYS A 72 -13.400 9.822 6.386 1.00 0.40 H new ATOM 0 HG2 LYS A 72 -11.725 8.342 7.489 1.00 0.46 H new ATOM 0 HG3 LYS A 72 -10.456 9.470 7.055 1.00 0.46 H new ATOM 0 HD2 LYS A 72 -11.666 11.262 8.348 1.00 0.60 H new ATOM 0 HD3 LYS A 72 -12.841 10.062 8.849 1.00 0.60 H new ATOM 0 HE2 LYS A 72 -11.209 10.276 10.613 1.00 0.71 H new ATOM 0 HE3 LYS A 72 -10.984 8.710 9.860 1.00 0.71 H new ATOM 0 HZ1 LYS A 72 -8.918 10.036 10.308 1.00 1.23 H new ATOM 0 HZ2 LYS A 72 -9.081 9.456 8.720 1.00 1.23 H new ATOM 0 HZ3 LYS A 72 -9.398 11.089 9.065 1.00 1.23 H new ATOM 1044 N GLN A 73 -12.954 10.459 3.045 1.00 0.33 N ATOM 1045 CA GLN A 73 -13.925 10.920 2.064 1.00 0.36 C ATOM 1046 C GLN A 73 -13.960 10.014 0.838 1.00 0.31 C ATOM 1047 O GLN A 73 -15.029 9.716 0.307 1.00 0.38 O ATOM 1048 CB GLN A 73 -13.607 12.351 1.633 1.00 0.41 C ATOM 1049 CG GLN A 73 -14.649 12.942 0.697 1.00 1.17 C ATOM 1050 CD GLN A 73 -14.327 14.357 0.255 1.00 1.67 C ATOM 1051 OE1 GLN A 73 -13.049 14.670 0.133 1.00 2.36 O flip ATOM 1052 NE2 GLN A 73 -15.228 15.159 0.012 1.00 2.20 N flip ATOM 0 H GLN A 73 -12.101 11.016 3.086 1.00 0.33 H new ATOM 0 HA GLN A 73 -14.906 10.891 2.538 1.00 0.36 H new ATOM 0 HB2 GLN A 73 -13.526 12.981 2.519 1.00 0.41 H new ATOM 0 HB3 GLN A 73 -12.635 12.367 1.140 1.00 0.41 H new ATOM 0 HG2 GLN A 73 -14.739 12.306 -0.183 1.00 1.17 H new ATOM 0 HG3 GLN A 73 -15.619 12.936 1.195 1.00 1.17 H new ATOM 0 HE21 GLN A 73 -16.203 14.878 0.118 1.00 2.20 H new ATOM 0 HE22 GLN A 73 -15.000 16.104 -0.296 1.00 2.20 H new ATOM 1061 N HIS A 74 -12.793 9.570 0.396 1.00 0.24 N ATOM 1062 CA HIS A 74 -12.696 8.840 -0.866 1.00 0.21 C ATOM 1063 C HIS A 74 -12.612 7.333 -0.663 1.00 0.19 C ATOM 1064 O HIS A 74 -12.338 6.597 -1.605 1.00 0.20 O ATOM 1065 CB HIS A 74 -11.490 9.324 -1.681 1.00 0.22 C ATOM 1066 CG HIS A 74 -11.599 10.756 -2.102 1.00 0.26 C ATOM 1067 ND1 HIS A 74 -10.508 11.591 -2.132 1.00 0.28 N ATOM 1068 CD2 HIS A 74 -12.697 11.449 -2.471 1.00 0.30 C ATOM 1069 CE1 HIS A 74 -10.969 12.772 -2.508 1.00 0.33 C ATOM 1070 NE2 HIS A 74 -12.294 12.733 -2.728 1.00 0.34 N ATOM 0 H HIS A 74 -11.907 9.699 0.884 1.00 0.24 H new ATOM 0 HA HIS A 74 -13.613 9.046 -1.417 1.00 0.21 H new ATOM 0 HB2 HIS A 74 -10.584 9.194 -1.089 1.00 0.22 H new ATOM 0 HB3 HIS A 74 -11.384 8.699 -2.567 1.00 0.22 H new ATOM 0 HD2 HIS A 74 -13.703 11.064 -2.549 1.00 0.30 H new ATOM 0 HE1 HIS A 74 -10.358 13.655 -2.624 1.00 0.33 H new ATOM 0 HE2 HIS A 74 -12.885 13.508 -3.028 1.00 0.34 H new ATOM 1078 N ARG A 75 -12.827 6.873 0.559 1.00 0.20 N ATOM 1079 CA ARG A 75 -12.849 5.438 0.819 1.00 0.20 C ATOM 1080 C ARG A 75 -14.253 4.884 0.616 1.00 0.23 C ATOM 1081 O ARG A 75 -14.426 3.720 0.254 1.00 0.25 O ATOM 1082 CB ARG A 75 -12.343 5.116 2.228 1.00 0.25 C ATOM 1083 CG ARG A 75 -13.265 5.568 3.345 1.00 0.31 C ATOM 1084 CD ARG A 75 -12.656 5.280 4.707 1.00 0.39 C ATOM 1085 NE ARG A 75 -13.590 5.558 5.796 1.00 0.53 N ATOM 1086 CZ ARG A 75 -13.419 5.141 7.049 1.00 0.77 C ATOM 1087 NH1 ARG A 75 -12.337 4.448 7.381 1.00 0.98 N ATOM 1088 NH2 ARG A 75 -14.336 5.410 7.968 1.00 0.92 N ATOM 0 H ARG A 75 -12.987 7.460 1.377 1.00 0.20 H new ATOM 0 HA ARG A 75 -12.176 4.959 0.108 1.00 0.20 H new ATOM 0 HB2 ARG A 75 -12.194 4.039 2.310 1.00 0.25 H new ATOM 0 HB3 ARG A 75 -11.368 5.584 2.366 1.00 0.25 H new ATOM 0 HG2 ARG A 75 -13.461 6.636 3.249 1.00 0.31 H new ATOM 0 HG3 ARG A 75 -14.225 5.059 3.257 1.00 0.31 H new ATOM 0 HD2 ARG A 75 -12.347 4.236 4.752 1.00 0.39 H new ATOM 0 HD3 ARG A 75 -11.758 5.884 4.837 1.00 0.39 H new ATOM 0 HE ARG A 75 -14.424 6.105 5.583 1.00 0.53 H new ATOM 0 HH11 ARG A 75 -11.633 4.233 6.675 1.00 0.98 H new ATOM 0 HH12 ARG A 75 -12.210 4.130 8.342 1.00 0.98 H new ATOM 0 HH21 ARG A 75 -15.172 5.936 7.715 1.00 0.92 H new ATOM 0 HH22 ARG A 75 -14.205 5.091 8.928 1.00 0.92 H new ATOM 1102 N GLU A 76 -15.247 5.738 0.821 1.00 0.27 N ATOM 1103 CA GLU A 76 -16.635 5.344 0.676 1.00 0.34 C ATOM 1104 C GLU A 76 -16.942 5.022 -0.779 1.00 0.32 C ATOM 1105 O GLU A 76 -16.707 5.844 -1.668 1.00 0.34 O ATOM 1106 CB GLU A 76 -17.545 6.463 1.177 1.00 0.43 C ATOM 1107 CG GLU A 76 -17.372 6.765 2.657 1.00 0.55 C ATOM 1108 CD GLU A 76 -18.171 7.969 3.107 1.00 1.02 C ATOM 1109 OE1 GLU A 76 -19.285 7.787 3.632 1.00 1.21 O ATOM 1110 OE2 GLU A 76 -17.697 9.110 2.928 1.00 1.65 O ATOM 0 H GLU A 76 -15.113 6.713 1.090 1.00 0.27 H new ATOM 0 HA GLU A 76 -16.815 4.449 1.272 1.00 0.34 H new ATOM 0 HB2 GLU A 76 -17.345 7.368 0.603 1.00 0.43 H new ATOM 0 HB3 GLU A 76 -18.583 6.189 0.989 1.00 0.43 H new ATOM 0 HG2 GLU A 76 -17.676 5.895 3.239 1.00 0.55 H new ATOM 0 HG3 GLU A 76 -16.316 6.936 2.867 1.00 0.55 H new ATOM 1117 N GLY A 77 -17.439 3.817 -1.019 1.00 0.37 N ATOM 1118 CA GLY A 77 -17.761 3.401 -2.370 1.00 0.42 C ATOM 1119 C GLY A 77 -16.559 2.868 -3.130 1.00 0.40 C ATOM 1120 O GLY A 77 -16.717 2.174 -4.136 1.00 0.58 O ATOM 0 H GLY A 77 -17.626 3.118 -0.300 1.00 0.37 H new ATOM 0 HA2 GLY A 77 -18.531 2.631 -2.333 1.00 0.42 H new ATOM 0 HA3 GLY A 77 -18.182 4.247 -2.914 1.00 0.42 H new ATOM 1124 N MET A 78 -15.361 3.184 -2.655 1.00 0.29 N ATOM 1125 CA MET A 78 -14.136 2.768 -3.336 1.00 0.27 C ATOM 1126 C MET A 78 -13.498 1.566 -2.647 1.00 0.24 C ATOM 1127 O MET A 78 -12.952 0.681 -3.307 1.00 0.28 O ATOM 1128 CB MET A 78 -13.129 3.923 -3.403 1.00 0.29 C ATOM 1129 CG MET A 78 -13.605 5.108 -4.237 1.00 0.35 C ATOM 1130 SD MET A 78 -13.857 4.682 -5.973 1.00 0.58 S ATOM 1131 CE MET A 78 -12.189 4.249 -6.468 1.00 1.51 C ATOM 0 H MET A 78 -15.209 3.725 -1.804 1.00 0.29 H new ATOM 0 HA MET A 78 -14.411 2.478 -4.350 1.00 0.27 H new ATOM 0 HB2 MET A 78 -12.916 4.266 -2.391 1.00 0.29 H new ATOM 0 HB3 MET A 78 -12.192 3.552 -3.818 1.00 0.29 H new ATOM 0 HG2 MET A 78 -14.538 5.488 -3.821 1.00 0.35 H new ATOM 0 HG3 MET A 78 -12.874 5.913 -4.167 1.00 0.35 H new ATOM 0 HE1 MET A 78 -12.109 4.292 -7.554 1.00 1.51 H new ATOM 0 HE2 MET A 78 -11.484 4.952 -6.024 1.00 1.51 H new ATOM 0 HE3 MET A 78 -11.959 3.240 -6.127 1.00 1.51 H new ATOM 1141 N LEU A 79 -13.554 1.542 -1.323 1.00 0.24 N ATOM 1142 CA LEU A 79 -13.020 0.421 -0.569 1.00 0.22 C ATOM 1143 C LEU A 79 -14.153 -0.260 0.190 1.00 0.25 C ATOM 1144 O LEU A 79 -15.043 0.409 0.717 1.00 0.32 O ATOM 1145 CB LEU A 79 -11.947 0.923 0.405 1.00 0.24 C ATOM 1146 CG LEU A 79 -11.020 -0.146 0.996 1.00 0.22 C ATOM 1147 CD1 LEU A 79 -10.208 -0.822 -0.094 1.00 0.21 C ATOM 1148 CD2 LEU A 79 -10.095 0.477 2.023 1.00 0.27 C ATOM 0 H LEU A 79 -13.962 2.283 -0.753 1.00 0.24 H new ATOM 0 HA LEU A 79 -12.565 -0.300 -1.248 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -11.334 1.662 -0.111 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -12.444 1.439 1.227 1.00 0.24 H new ATOM 0 HG LEU A 79 -11.637 -0.902 1.482 1.00 0.22 H new ATOM 0 HD11 LEU A 79 -9.558 -1.576 0.351 1.00 0.21 H new ATOM 0 HD12 LEU A 79 -10.881 -1.298 -0.807 1.00 0.21 H new ATOM 0 HD13 LEU A 79 -9.600 -0.078 -0.609 1.00 0.21 H new ATOM 0 HD21 LEU A 79 -9.441 -0.291 2.437 1.00 0.27 H new ATOM 0 HD22 LEU A 79 -9.492 1.250 1.548 1.00 0.27 H new ATOM 0 HD23 LEU A 79 -10.687 0.920 2.824 1.00 0.27 H new ATOM 1160 N PHE A 80 -14.124 -1.582 0.238 1.00 0.24 N ATOM 1161 CA PHE A 80 -15.151 -2.349 0.924 1.00 0.31 C ATOM 1162 C PHE A 80 -14.557 -3.644 1.461 1.00 0.31 C ATOM 1163 O PHE A 80 -13.451 -4.026 1.088 1.00 0.26 O ATOM 1164 CB PHE A 80 -16.330 -2.636 -0.023 1.00 0.37 C ATOM 1165 CG PHE A 80 -15.951 -3.348 -1.298 1.00 0.37 C ATOM 1166 CD1 PHE A 80 -15.596 -2.631 -2.433 1.00 0.36 C ATOM 1167 CD2 PHE A 80 -15.938 -4.735 -1.360 1.00 0.42 C ATOM 1168 CE1 PHE A 80 -15.240 -3.283 -3.596 1.00 0.40 C ATOM 1169 CE2 PHE A 80 -15.584 -5.388 -2.522 1.00 0.46 C ATOM 1170 CZ PHE A 80 -15.275 -4.659 -3.653 1.00 0.45 C ATOM 0 H PHE A 80 -13.395 -2.150 -0.193 1.00 0.24 H new ATOM 0 HA PHE A 80 -15.529 -1.766 1.764 1.00 0.31 H new ATOM 0 HB2 PHE A 80 -17.068 -3.237 0.508 1.00 0.37 H new ATOM 0 HB3 PHE A 80 -16.812 -1.692 -0.279 1.00 0.37 H new ATOM 0 HD1 PHE A 80 -15.599 -1.551 -2.405 1.00 0.36 H new ATOM 0 HD2 PHE A 80 -16.209 -5.310 -0.487 1.00 0.42 H new ATOM 0 HE1 PHE A 80 -14.934 -2.714 -4.462 1.00 0.40 H new ATOM 0 HE2 PHE A 80 -15.549 -6.467 -2.547 1.00 0.46 H new ATOM 0 HZ PHE A 80 -15.061 -5.167 -4.582 1.00 0.45 H new ATOM 1180 N ILE A 81 -15.282 -4.311 2.344 1.00 0.38 N ATOM 1181 CA ILE A 81 -14.813 -5.565 2.912 1.00 0.38 C ATOM 1182 C ILE A 81 -15.128 -6.732 1.984 1.00 0.42 C ATOM 1183 O ILE A 81 -16.271 -6.913 1.557 1.00 0.47 O ATOM 1184 CB ILE A 81 -15.424 -5.829 4.304 1.00 0.45 C ATOM 1185 CG1 ILE A 81 -14.881 -4.826 5.324 1.00 0.46 C ATOM 1186 CG2 ILE A 81 -15.138 -7.250 4.760 1.00 0.48 C ATOM 1187 CD1 ILE A 81 -13.398 -4.975 5.601 1.00 0.44 C ATOM 0 H ILE A 81 -16.195 -4.007 2.682 1.00 0.38 H new ATOM 0 HA ILE A 81 -13.732 -5.478 3.026 1.00 0.38 H new ATOM 0 HB ILE A 81 -16.504 -5.704 4.230 1.00 0.45 H new ATOM 0 HG12 ILE A 81 -15.074 -3.816 4.964 1.00 0.46 H new ATOM 0 HG13 ILE A 81 -15.429 -4.941 6.259 1.00 0.46 H new ATOM 0 HG21 ILE A 81 -15.579 -7.412 5.744 1.00 0.48 H new ATOM 0 HG22 ILE A 81 -15.569 -7.954 4.049 1.00 0.48 H new ATOM 0 HG23 ILE A 81 -14.060 -7.404 4.815 1.00 0.48 H new ATOM 0 HD11 ILE A 81 -13.088 -4.230 6.333 1.00 0.44 H new ATOM 0 HD12 ILE A 81 -13.199 -5.973 5.992 1.00 0.44 H new ATOM 0 HD13 ILE A 81 -12.839 -4.830 4.677 1.00 0.44 H new ATOM 1199 N SER A 82 -14.098 -7.505 1.673 1.00 0.41 N ATOM 1200 CA SER A 82 -14.232 -8.685 0.842 1.00 0.47 C ATOM 1201 C SER A 82 -15.120 -9.715 1.519 1.00 0.54 C ATOM 1202 O SER A 82 -14.910 -10.069 2.678 1.00 0.61 O ATOM 1203 CB SER A 82 -12.852 -9.289 0.566 1.00 0.57 C ATOM 1204 OG SER A 82 -12.952 -10.571 -0.034 1.00 0.79 O ATOM 0 H SER A 82 -13.145 -7.329 1.992 1.00 0.41 H new ATOM 0 HA SER A 82 -14.692 -8.394 -0.102 1.00 0.47 H new ATOM 0 HB2 SER A 82 -12.288 -8.624 -0.088 1.00 0.57 H new ATOM 0 HB3 SER A 82 -12.295 -9.366 1.500 1.00 0.57 H new ATOM 0 HG SER A 82 -12.108 -10.789 -0.482 1.00 0.79 H new ATOM 1210 N LYS A 83 -16.116 -10.183 0.794 1.00 0.65 N ATOM 1211 CA LYS A 83 -16.988 -11.230 1.291 1.00 0.80 C ATOM 1212 C LYS A 83 -16.260 -12.567 1.274 1.00 0.81 C ATOM 1213 O LYS A 83 -16.634 -13.502 1.979 1.00 0.91 O ATOM 1214 CB LYS A 83 -18.265 -11.295 0.456 1.00 0.98 C ATOM 1215 CG LYS A 83 -19.099 -10.028 0.542 1.00 1.06 C ATOM 1216 CD LYS A 83 -20.345 -10.111 -0.325 1.00 1.34 C ATOM 1217 CE LYS A 83 -21.203 -8.864 -0.184 1.00 2.08 C ATOM 1218 NZ LYS A 83 -21.665 -8.659 1.215 1.00 2.62 N ATOM 0 H LYS A 83 -16.343 -9.854 -0.144 1.00 0.65 H new ATOM 0 HA LYS A 83 -17.266 -11.003 2.320 1.00 0.80 H new ATOM 0 HB2 LYS A 83 -18.002 -11.479 -0.586 1.00 0.98 H new ATOM 0 HB3 LYS A 83 -18.866 -12.142 0.788 1.00 0.98 H new ATOM 0 HG2 LYS A 83 -19.388 -9.853 1.578 1.00 1.06 H new ATOM 0 HG3 LYS A 83 -18.496 -9.175 0.231 1.00 1.06 H new ATOM 0 HD2 LYS A 83 -20.056 -10.240 -1.368 1.00 1.34 H new ATOM 0 HD3 LYS A 83 -20.927 -10.989 -0.045 1.00 1.34 H new ATOM 0 HE2 LYS A 83 -20.633 -7.993 -0.508 1.00 2.08 H new ATOM 0 HE3 LYS A 83 -22.068 -8.943 -0.843 1.00 2.08 H new ATOM 0 HZ1 LYS A 83 -22.449 -7.976 1.225 1.00 2.62 H new ATOM 0 HZ2 LYS A 83 -21.989 -9.565 1.610 1.00 2.62 H new ATOM 0 HZ3 LYS A 83 -20.880 -8.292 1.790 1.00 2.62 H new ATOM 1232 N LEU A 84 -15.213 -12.647 0.462 1.00 0.76 N ATOM 1233 CA LEU A 84 -14.445 -13.872 0.319 1.00 0.81 C ATOM 1234 C LEU A 84 -13.353 -13.981 1.385 1.00 0.76 C ATOM 1235 O LEU A 84 -13.327 -14.939 2.157 1.00 0.81 O ATOM 1236 CB LEU A 84 -13.825 -13.932 -1.077 1.00 0.90 C ATOM 1237 CG LEU A 84 -14.825 -13.910 -2.240 1.00 1.05 C ATOM 1238 CD1 LEU A 84 -14.096 -13.893 -3.574 1.00 1.34 C ATOM 1239 CD2 LEU A 84 -15.764 -15.105 -2.168 1.00 1.25 C ATOM 0 H LEU A 84 -14.877 -11.872 -0.109 1.00 0.76 H new ATOM 0 HA LEU A 84 -15.124 -14.714 0.455 1.00 0.81 H new ATOM 0 HB2 LEU A 84 -13.143 -13.089 -1.190 1.00 0.90 H new ATOM 0 HB3 LEU A 84 -13.226 -14.839 -1.152 1.00 0.90 H new ATOM 0 HG LEU A 84 -15.419 -13.000 -2.157 1.00 1.05 H new ATOM 0 HD11 LEU A 84 -14.823 -13.878 -4.386 1.00 1.34 H new ATOM 0 HD12 LEU A 84 -13.467 -13.005 -3.633 1.00 1.34 H new ATOM 0 HD13 LEU A 84 -13.475 -14.784 -3.660 1.00 1.34 H new ATOM 0 HD21 LEU A 84 -16.464 -15.068 -3.003 1.00 1.25 H new ATOM 0 HD22 LEU A 84 -15.185 -16.027 -2.221 1.00 1.25 H new ATOM 0 HD23 LEU A 84 -16.317 -15.077 -1.229 1.00 1.25 H new ATOM 1251 N ASP A 85 -12.473 -12.985 1.450 1.00 0.72 N ATOM 1252 CA ASP A 85 -11.319 -13.055 2.354 1.00 0.75 C ATOM 1253 C ASP A 85 -11.495 -12.161 3.571 1.00 0.66 C ATOM 1254 O ASP A 85 -10.758 -12.281 4.546 1.00 0.70 O ATOM 1255 CB ASP A 85 -10.023 -12.652 1.647 1.00 0.85 C ATOM 1256 CG ASP A 85 -9.656 -13.560 0.493 1.00 1.04 C ATOM 1257 OD1 ASP A 85 -9.919 -13.185 -0.668 1.00 1.47 O ATOM 1258 OD2 ASP A 85 -9.082 -14.641 0.740 1.00 1.42 O ATOM 0 H ASP A 85 -12.531 -12.130 0.898 1.00 0.72 H new ATOM 0 HA ASP A 85 -11.255 -14.095 2.675 1.00 0.75 H new ATOM 0 HB2 ASP A 85 -10.122 -11.631 1.278 1.00 0.85 H new ATOM 0 HB3 ASP A 85 -9.209 -12.651 2.371 1.00 0.85 H new ATOM 1263 N GLY A 86 -12.459 -11.256 3.512 1.00 0.59 N ATOM 1264 CA GLY A 86 -12.645 -10.299 4.589 1.00 0.56 C ATOM 1265 C GLY A 86 -11.686 -9.130 4.494 1.00 0.48 C ATOM 1266 O GLY A 86 -11.726 -8.214 5.313 1.00 0.50 O ATOM 0 H GLY A 86 -13.118 -11.165 2.739 1.00 0.59 H new ATOM 0 HA2 GLY A 86 -13.670 -9.928 4.569 1.00 0.56 H new ATOM 0 HA3 GLY A 86 -12.507 -10.802 5.546 1.00 0.56 H new ATOM 1270 N ARG A 87 -10.825 -9.169 3.489 1.00 0.43 N ATOM 1271 CA ARG A 87 -9.847 -8.113 3.261 1.00 0.39 C ATOM 1272 C ARG A 87 -10.524 -6.828 2.813 1.00 0.33 C ATOM 1273 O ARG A 87 -11.572 -6.863 2.173 1.00 0.36 O ATOM 1274 CB ARG A 87 -8.857 -8.539 2.180 1.00 0.46 C ATOM 1275 CG ARG A 87 -7.912 -9.649 2.598 1.00 0.58 C ATOM 1276 CD ARG A 87 -7.004 -10.047 1.448 1.00 0.96 C ATOM 1277 NE ARG A 87 -5.974 -10.997 1.859 1.00 1.25 N ATOM 1278 CZ ARG A 87 -5.117 -11.576 1.016 1.00 1.81 C ATOM 1279 NH1 ARG A 87 -5.216 -11.361 -0.292 1.00 2.25 N ATOM 1280 NH2 ARG A 87 -4.168 -12.377 1.483 1.00 2.10 N ATOM 0 H ARG A 87 -10.783 -9.929 2.810 1.00 0.43 H new ATOM 0 HA ARG A 87 -9.327 -7.937 4.202 1.00 0.39 H new ATOM 0 HB2 ARG A 87 -9.415 -8.865 1.302 1.00 0.46 H new ATOM 0 HB3 ARG A 87 -8.269 -7.671 1.881 1.00 0.46 H new ATOM 0 HG2 ARG A 87 -7.310 -9.320 3.445 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -8.485 -10.514 2.931 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -7.603 -10.486 0.650 1.00 0.96 H new ATOM 0 HD3 ARG A 87 -6.530 -9.156 1.037 1.00 0.96 H new ATOM 0 HE ARG A 87 -5.906 -11.232 2.849 1.00 1.25 H new ATOM 0 HH11 ARG A 87 -5.949 -10.751 -0.655 1.00 2.25 H new ATOM 0 HH12 ARG A 87 -4.559 -11.806 -0.933 1.00 2.25 H new ATOM 0 HH21 ARG A 87 -4.094 -12.550 2.486 1.00 2.10 H new ATOM 0 HH22 ARG A 87 -3.512 -12.820 0.839 1.00 2.10 H new ATOM 1294 N LEU A 88 -9.928 -5.702 3.162 1.00 0.28 N ATOM 1295 CA LEU A 88 -10.333 -4.428 2.599 1.00 0.26 C ATOM 1296 C LEU A 88 -9.960 -4.406 1.125 1.00 0.24 C ATOM 1297 O LEU A 88 -8.784 -4.320 0.773 1.00 0.28 O ATOM 1298 CB LEU A 88 -9.650 -3.275 3.331 1.00 0.27 C ATOM 1299 CG LEU A 88 -10.159 -3.000 4.742 1.00 0.35 C ATOM 1300 CD1 LEU A 88 -9.090 -2.294 5.559 1.00 0.44 C ATOM 1301 CD2 LEU A 88 -11.420 -2.150 4.688 1.00 0.44 C ATOM 0 H LEU A 88 -9.162 -5.645 3.833 1.00 0.28 H new ATOM 0 HA LEU A 88 -11.410 -4.307 2.712 1.00 0.26 H new ATOM 0 HB2 LEU A 88 -8.581 -3.483 3.383 1.00 0.27 H new ATOM 0 HB3 LEU A 88 -9.770 -2.369 2.737 1.00 0.27 H new ATOM 0 HG LEU A 88 -10.394 -3.951 5.219 1.00 0.35 H new ATOM 0 HD11 LEU A 88 -9.467 -2.104 6.564 1.00 0.44 H new ATOM 0 HD12 LEU A 88 -8.202 -2.923 5.617 1.00 0.44 H new ATOM 0 HD13 LEU A 88 -8.834 -1.348 5.082 1.00 0.44 H new ATOM 0 HD21 LEU A 88 -11.774 -1.960 5.701 1.00 0.44 H new ATOM 0 HD22 LEU A 88 -11.199 -1.202 4.197 1.00 0.44 H new ATOM 0 HD23 LEU A 88 -12.191 -2.678 4.127 1.00 0.44 H new ATOM 1313 N SER A 89 -10.959 -4.506 0.272 1.00 0.22 N ATOM 1314 CA SER A 89 -10.732 -4.654 -1.150 1.00 0.23 C ATOM 1315 C SER A 89 -11.290 -3.455 -1.906 1.00 0.21 C ATOM 1316 O SER A 89 -12.389 -2.978 -1.614 1.00 0.22 O ATOM 1317 CB SER A 89 -11.375 -5.953 -1.640 1.00 0.28 C ATOM 1318 OG SER A 89 -11.049 -6.218 -2.990 1.00 0.55 O ATOM 0 H SER A 89 -11.942 -4.487 0.542 1.00 0.22 H new ATOM 0 HA SER A 89 -9.659 -4.700 -1.338 1.00 0.23 H new ATOM 0 HB2 SER A 89 -11.043 -6.782 -1.015 1.00 0.28 H new ATOM 0 HB3 SER A 89 -12.458 -5.887 -1.533 1.00 0.28 H new ATOM 0 HG SER A 89 -10.523 -7.043 -3.044 1.00 0.55 H new ATOM 1324 N CYS A 90 -10.511 -2.947 -2.849 1.00 0.22 N ATOM 1325 CA CYS A 90 -10.903 -1.774 -3.613 1.00 0.24 C ATOM 1326 C CYS A 90 -11.669 -2.183 -4.870 1.00 0.27 C ATOM 1327 O CYS A 90 -11.693 -3.359 -5.248 1.00 0.31 O ATOM 1328 CB CYS A 90 -9.664 -0.957 -4.000 1.00 0.25 C ATOM 1329 SG CYS A 90 -8.624 -1.752 -5.245 1.00 0.28 S ATOM 0 H CYS A 90 -9.601 -3.331 -3.104 1.00 0.22 H new ATOM 0 HA CYS A 90 -11.555 -1.161 -2.991 1.00 0.24 H new ATOM 0 HB2 CYS A 90 -9.984 0.015 -4.375 1.00 0.25 H new ATOM 0 HB3 CYS A 90 -9.068 -0.773 -3.106 1.00 0.25 H new ATOM 1334 N THR A 91 -12.278 -1.202 -5.520 1.00 0.30 N ATOM 1335 CA THR A 91 -13.066 -1.431 -6.720 1.00 0.36 C ATOM 1336 C THR A 91 -12.190 -1.635 -7.956 1.00 0.43 C ATOM 1337 O THR A 91 -12.689 -1.680 -9.079 1.00 0.54 O ATOM 1338 CB THR A 91 -14.014 -0.249 -6.958 1.00 0.39 C ATOM 1339 OG1 THR A 91 -13.294 0.981 -6.798 1.00 0.43 O ATOM 1340 CG2 THR A 91 -15.181 -0.290 -5.988 1.00 0.38 C ATOM 0 H THR A 91 -12.239 -0.225 -5.229 1.00 0.30 H new ATOM 0 HA THR A 91 -13.638 -2.345 -6.561 1.00 0.36 H new ATOM 0 HB THR A 91 -14.407 -0.316 -7.972 1.00 0.39 H new ATOM 0 HG1 THR A 91 -13.899 1.737 -6.952 1.00 0.43 H new ATOM 0 HG21 THR A 91 -15.840 0.558 -6.176 1.00 0.38 H new ATOM 0 HG22 THR A 91 -15.736 -1.218 -6.125 1.00 0.38 H new ATOM 0 HG23 THR A 91 -14.806 -0.239 -4.966 1.00 0.38 H new ATOM 1348 N GLU A 92 -10.887 -1.755 -7.747 1.00 0.43 N ATOM 1349 CA GLU A 92 -9.954 -1.988 -8.838 1.00 0.52 C ATOM 1350 C GLU A 92 -9.674 -3.477 -8.997 1.00 0.51 C ATOM 1351 O GLU A 92 -8.788 -3.875 -9.750 1.00 0.63 O ATOM 1352 CB GLU A 92 -8.646 -1.235 -8.590 1.00 0.56 C ATOM 1353 CG GLU A 92 -8.803 0.277 -8.572 1.00 0.66 C ATOM 1354 CD GLU A 92 -9.090 0.844 -9.945 1.00 1.38 C ATOM 1355 OE1 GLU A 92 -10.186 0.594 -10.486 1.00 2.13 O ATOM 1356 OE2 GLU A 92 -8.219 1.551 -10.493 1.00 1.54 O ATOM 0 H GLU A 92 -10.451 -1.694 -6.827 1.00 0.43 H new ATOM 0 HA GLU A 92 -10.407 -1.618 -9.758 1.00 0.52 H new ATOM 0 HB2 GLU A 92 -8.226 -1.559 -7.638 1.00 0.56 H new ATOM 0 HB3 GLU A 92 -7.928 -1.507 -9.364 1.00 0.56 H new ATOM 0 HG2 GLU A 92 -9.612 0.547 -7.894 1.00 0.66 H new ATOM 0 HG3 GLU A 92 -7.893 0.729 -8.178 1.00 0.66 H new ATOM 1363 N HIS A 93 -10.429 -4.298 -8.281 1.00 0.49 N ATOM 1364 CA HIS A 93 -10.228 -5.741 -8.317 1.00 0.53 C ATOM 1365 C HIS A 93 -11.501 -6.449 -8.764 1.00 0.67 C ATOM 1366 O HIS A 93 -11.953 -7.399 -8.124 1.00 0.85 O ATOM 1367 CB HIS A 93 -9.818 -6.270 -6.938 1.00 0.45 C ATOM 1368 CG HIS A 93 -8.595 -5.632 -6.347 1.00 0.37 C ATOM 1369 ND1 HIS A 93 -7.574 -5.063 -7.076 1.00 0.39 N ATOM 1370 CD2 HIS A 93 -8.240 -5.505 -5.048 1.00 0.33 C ATOM 1371 CE1 HIS A 93 -6.651 -4.617 -6.208 1.00 0.36 C ATOM 1372 NE2 HIS A 93 -7.009 -4.859 -4.959 1.00 0.32 N ATOM 0 H HIS A 93 -11.185 -3.991 -7.669 1.00 0.49 H new ATOM 0 HA HIS A 93 -9.430 -5.945 -9.031 1.00 0.53 H new ATOM 0 HB2 HIS A 93 -10.651 -6.128 -6.250 1.00 0.45 H new ATOM 0 HB3 HIS A 93 -9.647 -7.344 -7.014 1.00 0.45 H new ATOM 0 HD1 HIS A 93 -7.527 -4.993 -8.093 1.00 0.39 H new ATOM 0 HD2 HIS A 93 -8.823 -5.852 -4.207 1.00 0.33 H new ATOM 0 HE1 HIS A 93 -5.734 -4.124 -6.494 1.00 0.36 H new ATOM 1380 N ASP A 94 -12.067 -5.990 -9.863 1.00 0.83 N ATOM 1381 CA ASP A 94 -13.297 -6.568 -10.390 1.00 1.02 C ATOM 1382 C ASP A 94 -13.040 -7.227 -11.732 1.00 1.33 C ATOM 1383 O ASP A 94 -12.875 -8.462 -11.769 1.00 1.92 O ATOM 1384 CB ASP A 94 -14.393 -5.509 -10.535 1.00 1.54 C ATOM 1385 CG ASP A 94 -15.015 -5.118 -9.212 1.00 2.05 C ATOM 1386 OD1 ASP A 94 -15.943 -5.818 -8.750 1.00 2.40 O ATOM 1387 OD2 ASP A 94 -14.566 -4.118 -8.611 1.00 2.65 O ATOM 1388 OXT ASP A 94 -12.983 -6.504 -12.748 1.00 1.91 O ATOM 0 H ASP A 94 -11.696 -5.215 -10.413 1.00 0.83 H new ATOM 0 HA ASP A 94 -13.639 -7.320 -9.679 1.00 1.02 H new ATOM 0 HB2 ASP A 94 -13.973 -4.622 -11.009 1.00 1.54 H new ATOM 0 HB3 ASP A 94 -15.171 -5.887 -11.198 1.00 1.54 H new TER 1393 ASP A 94 HETATM 1394 ZN ZN A 101 7.209 -4.610 -7.060 1.00 0.35 ZN HETATM 1395 ZN ZN A 102 4.282 2.931 4.609 1.00 0.29 ZN HETATM 1396 ZN ZN A 103 -9.051 11.405 -0.771 1.00 0.26 ZN HETATM 1397 ZN ZN A 104 -6.994 -3.000 -4.225 1.00 0.27 ZN