USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 527 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 37 HIS HD1 : A 37 HIS ND1 : A 71 ZNZN :(H bumps) USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 70 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -152:sc= -0.0616 (180deg=-0.587) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot -44:sc= 0.888 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 35:sc= 0.929 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0.0937 K(o=0.094,f=-0.75) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.239 K(o=-0.24,f=-3.8) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.516 -6.555 19.448 1.00 24.53 N ATOM 2 CA MET A 1 1.805 -7.585 18.674 1.00 23.63 C ATOM 3 C MET A 1 1.323 -8.632 19.666 1.00 23.24 C ATOM 4 O MET A 1 0.466 -8.287 20.476 1.00 23.89 O ATOM 5 CB MET A 1 2.671 -8.130 17.534 1.00 23.23 C ATOM 6 CG MET A 1 2.881 -7.054 16.464 1.00 23.92 C ATOM 7 SD MET A 1 4.186 -7.449 15.276 1.00 23.63 S ATOM 8 CE MET A 1 5.253 -6.010 15.530 1.00 25.17 C ATOM 0 H1 MET A 1 2.449 -5.642 18.955 1.00 24.53 H new ATOM 0 H2 MET A 1 2.086 -6.471 20.391 1.00 24.53 H new ATOM 0 H3 MET A 1 3.516 -6.823 19.546 1.00 24.53 H new ATOM 0 HA MET A 1 0.936 -7.176 18.158 1.00 23.63 H new ATOM 0 HB2 MET A 1 3.635 -8.457 17.925 1.00 23.23 H new ATOM 0 HB3 MET A 1 2.193 -9.004 17.091 1.00 23.23 H new ATOM 0 HG2 MET A 1 1.946 -6.904 15.925 1.00 23.92 H new ATOM 0 HG3 MET A 1 3.122 -6.110 16.954 1.00 23.92 H new ATOM 0 HE1 MET A 1 6.121 -6.080 14.874 1.00 25.17 H new ATOM 0 HE2 MET A 1 4.698 -5.100 15.301 1.00 25.17 H new ATOM 0 HE3 MET A 1 5.584 -5.981 16.568 1.00 25.17 H new ATOM 20 N LYS A 2 1.897 -9.837 19.707 1.00 22.46 N ATOM 21 CA LYS A 2 1.534 -10.841 20.700 1.00 22.29 C ATOM 22 C LYS A 2 2.780 -11.304 21.450 1.00 22.30 C ATOM 23 O LYS A 2 3.852 -10.722 21.297 1.00 22.74 O ATOM 24 CB LYS A 2 0.760 -11.978 20.004 1.00 21.79 C ATOM 25 CG LYS A 2 -0.741 -11.841 20.286 1.00 22.16 C ATOM 26 CD LYS A 2 -1.080 -12.368 21.685 1.00 23.63 C ATOM 27 CE LYS A 2 -2.498 -11.953 22.087 1.00 24.17 C ATOM 28 NZ LYS A 2 -2.894 -12.569 23.373 1.00 25.39 N ATOM 0 H LYS A 2 2.621 -10.139 19.056 1.00 22.46 H new ATOM 0 HA LYS A 2 0.869 -10.425 21.457 1.00 22.29 H new ATOM 0 HB2 LYS A 2 0.941 -11.947 18.930 1.00 21.79 H new ATOM 0 HB3 LYS A 2 1.118 -12.944 20.360 1.00 21.79 H new ATOM 0 HG2 LYS A 2 -1.037 -10.795 20.204 1.00 22.16 H new ATOM 0 HG3 LYS A 2 -1.309 -12.393 19.537 1.00 22.16 H new ATOM 0 HD2 LYS A 2 -0.995 -13.455 21.701 1.00 23.63 H new ATOM 0 HD3 LYS A 2 -0.363 -11.981 22.409 1.00 23.63 H new ATOM 0 HE2 LYS A 2 -2.552 -10.867 22.169 1.00 24.17 H new ATOM 0 HE3 LYS A 2 -3.201 -12.249 21.308 1.00 24.17 H new ATOM 0 HZ1 LYS A 2 -3.859 -12.269 23.619 1.00 25.39 H new ATOM 0 HZ2 LYS A 2 -2.865 -13.605 23.285 1.00 25.39 H new ATOM 0 HZ3 LYS A 2 -2.237 -12.266 24.120 1.00 25.39 H new ATOM 42 N GLN A 3 2.599 -12.292 22.327 1.00 22.12 N ATOM 43 CA GLN A 3 3.670 -12.971 23.034 1.00 22.17 C ATOM 44 C GLN A 3 4.464 -13.808 22.031 1.00 20.80 C ATOM 45 O GLN A 3 4.170 -13.803 20.836 1.00 20.05 O ATOM 46 CB GLN A 3 3.046 -13.822 24.153 1.00 23.14 C ATOM 47 CG GLN A 3 2.440 -12.913 25.233 1.00 24.25 C ATOM 48 CD GLN A 3 1.365 -13.625 26.045 1.00 25.37 C ATOM 49 OE1 GLN A 3 0.200 -13.639 25.654 1.00 25.46 O ATOM 50 NE2 GLN A 3 1.726 -14.203 27.185 1.00 26.44 N ATOM 0 H GLN A 3 1.674 -12.648 22.568 1.00 22.12 H new ATOM 0 HA GLN A 3 4.363 -12.268 23.496 1.00 22.17 H new ATOM 0 HB2 GLN A 3 2.275 -14.472 23.739 1.00 23.14 H new ATOM 0 HB3 GLN A 3 3.804 -14.469 24.595 1.00 23.14 H new ATOM 0 HG2 GLN A 3 3.229 -12.569 25.901 1.00 24.25 H new ATOM 0 HG3 GLN A 3 2.012 -12.028 24.763 1.00 24.25 H new ATOM 0 HE21 GLN A 3 2.701 -14.176 27.484 1.00 26.44 H new ATOM 0 HE22 GLN A 3 1.029 -14.674 27.761 1.00 26.44 H new ATOM 59 N ASP A 4 5.479 -14.512 22.519 1.00 20.68 N ATOM 60 CA ASP A 4 6.282 -15.417 21.711 1.00 19.66 C ATOM 61 C ASP A 4 5.388 -16.425 20.986 1.00 18.21 C ATOM 62 O ASP A 4 4.454 -16.984 21.559 1.00 18.47 O ATOM 63 CB ASP A 4 7.355 -16.106 22.569 1.00 20.65 C ATOM 64 CG ASP A 4 6.788 -16.845 23.785 1.00 21.70 C ATOM 65 OD1 ASP A 4 6.229 -16.139 24.659 1.00 22.48 O ATOM 66 OD2 ASP A 4 6.972 -18.079 23.851 1.00 21.93 O ATOM 0 H ASP A 4 5.769 -14.469 23.496 1.00 20.68 H new ATOM 0 HA ASP A 4 6.804 -14.839 20.949 1.00 19.66 H new ATOM 0 HB2 ASP A 4 7.905 -16.814 21.949 1.00 20.65 H new ATOM 0 HB3 ASP A 4 8.071 -15.358 22.910 1.00 20.65 H new ATOM 71 N GLY A 5 5.654 -16.611 19.694 1.00 16.89 N ATOM 72 CA GLY A 5 4.835 -17.389 18.783 1.00 15.47 C ATOM 73 C GLY A 5 5.393 -17.223 17.372 1.00 13.95 C ATOM 74 O GLY A 5 6.425 -16.576 17.192 1.00 14.35 O ATOM 0 H GLY A 5 6.475 -16.208 19.243 1.00 16.89 H new ATOM 0 HA2 GLY A 5 4.840 -18.440 19.072 1.00 15.47 H new ATOM 0 HA3 GLY A 5 3.799 -17.053 18.823 1.00 15.47 H new ATOM 78 N GLU A 6 4.731 -17.796 16.367 1.00 12.57 N ATOM 79 CA GLU A 6 5.162 -17.719 14.987 1.00 11.42 C ATOM 80 C GLU A 6 3.915 -17.790 14.110 1.00 9.91 C ATOM 81 O GLU A 6 3.065 -18.650 14.332 1.00 9.93 O ATOM 82 CB GLU A 6 6.135 -18.873 14.702 1.00 11.88 C ATOM 83 CG GLU A 6 6.689 -18.822 13.276 1.00 11.88 C ATOM 84 CD GLU A 6 7.744 -19.910 13.061 1.00 12.81 C ATOM 85 OE1 GLU A 6 7.336 -21.066 12.812 1.00 12.85 O ATOM 86 OE2 GLU A 6 8.946 -19.573 13.151 1.00 13.74 O ATOM 0 H GLU A 6 3.872 -18.330 16.498 1.00 12.57 H new ATOM 0 HA GLU A 6 5.689 -16.788 14.776 1.00 11.42 H new ATOM 0 HB2 GLU A 6 6.961 -18.834 15.413 1.00 11.88 H new ATOM 0 HB3 GLU A 6 5.625 -19.823 14.858 1.00 11.88 H new ATOM 0 HG2 GLU A 6 5.876 -18.951 12.561 1.00 11.88 H new ATOM 0 HG3 GLU A 6 7.127 -17.842 13.087 1.00 11.88 H new ATOM 93 N GLU A 7 3.780 -16.874 13.150 1.00 9.03 N ATOM 94 CA GLU A 7 2.706 -16.866 12.166 1.00 7.95 C ATOM 95 C GLU A 7 3.185 -15.991 10.998 1.00 7.79 C ATOM 96 O GLU A 7 4.090 -15.177 11.183 1.00 8.43 O ATOM 97 CB GLU A 7 1.414 -16.301 12.796 1.00 7.70 C ATOM 98 CG GLU A 7 0.161 -17.088 12.385 1.00 7.35 C ATOM 99 CD GLU A 7 0.021 -17.163 10.869 1.00 7.90 C ATOM 100 OE1 GLU A 7 -0.448 -16.173 10.267 1.00 8.23 O ATOM 101 OE2 GLU A 7 0.527 -18.150 10.293 1.00 8.56 O ATOM 0 H GLU A 7 4.433 -16.099 13.036 1.00 9.03 H new ATOM 0 HA GLU A 7 2.476 -17.872 11.816 1.00 7.95 H new ATOM 0 HB2 GLU A 7 1.508 -16.316 13.882 1.00 7.70 H new ATOM 0 HB3 GLU A 7 1.296 -15.258 12.501 1.00 7.70 H new ATOM 0 HG2 GLU A 7 0.212 -18.096 12.797 1.00 7.35 H new ATOM 0 HG3 GLU A 7 -0.724 -16.614 12.810 1.00 7.35 H new ATOM 108 N GLY A 8 2.605 -16.131 9.804 1.00 7.58 N ATOM 109 CA GLY A 8 2.938 -15.297 8.662 1.00 8.04 C ATOM 110 C GLY A 8 2.138 -13.996 8.615 1.00 7.26 C ATOM 111 O GLY A 8 2.491 -13.116 7.835 1.00 8.02 O ATOM 0 H GLY A 8 1.889 -16.831 9.608 1.00 7.58 H new ATOM 0 HA2 GLY A 8 4.002 -15.061 8.690 1.00 8.04 H new ATOM 0 HA3 GLY A 8 2.760 -15.859 7.745 1.00 8.04 H new ATOM 115 N THR A 9 1.066 -13.847 9.402 1.00 6.15 N ATOM 116 CA THR A 9 0.222 -12.668 9.374 1.00 5.71 C ATOM 117 C THR A 9 -0.058 -12.206 10.806 1.00 4.73 C ATOM 118 O THR A 9 -0.295 -13.035 11.681 1.00 5.00 O ATOM 119 CB THR A 9 -1.066 -12.981 8.593 1.00 6.22 C ATOM 120 OG1 THR A 9 -1.892 -13.935 9.228 1.00 6.42 O ATOM 121 CG2 THR A 9 -0.784 -13.484 7.173 1.00 7.47 C ATOM 0 H THR A 9 0.766 -14.551 10.077 1.00 6.15 H new ATOM 0 HA THR A 9 0.725 -11.848 8.861 1.00 5.71 H new ATOM 0 HB THR A 9 -1.588 -12.025 8.556 1.00 6.22 H new ATOM 0 HG1 THR A 9 -1.342 -14.675 9.560 1.00 6.42 H new ATOM 0 HG21 THR A 9 -1.727 -13.690 6.666 1.00 7.47 H new ATOM 0 HG22 THR A 9 -0.233 -12.723 6.620 1.00 7.47 H new ATOM 0 HG23 THR A 9 -0.191 -14.397 7.222 1.00 7.47 H new ATOM 129 N GLU A 10 -0.030 -10.893 11.065 1.00 4.25 N ATOM 130 CA GLU A 10 -0.382 -10.349 12.376 1.00 3.87 C ATOM 131 C GLU A 10 -1.112 -9.016 12.220 1.00 3.14 C ATOM 132 O GLU A 10 -2.301 -8.935 12.512 1.00 3.48 O ATOM 133 CB GLU A 10 0.851 -10.179 13.284 1.00 4.76 C ATOM 134 CG GLU A 10 1.303 -11.493 13.936 1.00 5.95 C ATOM 135 CD GLU A 10 2.144 -11.226 15.191 1.00 6.92 C ATOM 136 OE1 GLU A 10 3.372 -11.043 15.047 1.00 8.16 O ATOM 137 OE2 GLU A 10 1.545 -11.175 16.292 1.00 6.92 O ATOM 0 H GLU A 10 0.235 -10.187 10.378 1.00 4.25 H new ATOM 0 HA GLU A 10 -1.045 -11.068 12.858 1.00 3.87 H new ATOM 0 HB2 GLU A 10 1.673 -9.770 12.697 1.00 4.76 H new ATOM 0 HB3 GLU A 10 0.623 -9.453 14.064 1.00 4.76 H new ATOM 0 HG2 GLU A 10 0.430 -12.091 14.200 1.00 5.95 H new ATOM 0 HG3 GLU A 10 1.885 -12.076 13.222 1.00 5.95 H new ATOM 144 N GLU A 11 -0.410 -7.963 11.788 1.00 2.90 N ATOM 145 CA GLU A 11 -0.972 -6.611 11.736 1.00 2.46 C ATOM 146 C GLU A 11 -1.152 -6.189 10.282 1.00 1.95 C ATOM 147 O GLU A 11 -2.210 -5.727 9.855 1.00 2.78 O ATOM 148 CB GLU A 11 -0.113 -5.646 12.578 1.00 2.91 C ATOM 149 CG GLU A 11 1.181 -5.174 11.887 1.00 3.65 C ATOM 150 CD GLU A 11 2.106 -4.338 12.784 1.00 4.81 C ATOM 151 OE1 GLU A 11 1.990 -4.432 14.025 1.00 5.31 O ATOM 152 OE2 GLU A 11 2.953 -3.608 12.212 1.00 5.74 O ATOM 0 H GLU A 11 0.556 -8.024 11.467 1.00 2.90 H new ATOM 0 HA GLU A 11 -1.965 -6.587 12.185 1.00 2.46 H new ATOM 0 HB2 GLU A 11 -0.714 -4.773 12.832 1.00 2.91 H new ATOM 0 HB3 GLU A 11 0.149 -6.137 13.516 1.00 2.91 H new ATOM 0 HG2 GLU A 11 1.729 -6.047 11.533 1.00 3.65 H new ATOM 0 HG3 GLU A 11 0.916 -4.585 11.009 1.00 3.65 H new ATOM 159 N ASP A 12 -0.108 -6.424 9.504 1.00 1.91 N ATOM 160 CA ASP A 12 -0.133 -6.434 8.061 1.00 1.42 C ATOM 161 C ASP A 12 -0.894 -7.659 7.593 1.00 1.52 C ATOM 162 O ASP A 12 -0.328 -8.710 7.308 1.00 2.21 O ATOM 163 CB ASP A 12 1.269 -6.347 7.422 1.00 1.86 C ATOM 164 CG ASP A 12 2.458 -6.954 8.186 1.00 2.44 C ATOM 165 OD1 ASP A 12 2.249 -7.724 9.153 1.00 3.30 O ATOM 166 OD2 ASP A 12 3.596 -6.558 7.829 1.00 3.41 O ATOM 0 H ASP A 12 0.818 -6.621 9.884 1.00 1.91 H new ATOM 0 HA ASP A 12 -0.646 -5.533 7.726 1.00 1.42 H new ATOM 0 HB2 ASP A 12 1.220 -6.830 6.446 1.00 1.86 H new ATOM 0 HB3 ASP A 12 1.489 -5.294 7.246 1.00 1.86 H new ATOM 171 N THR A 13 -2.200 -7.483 7.403 1.00 1.42 N ATOM 172 CA THR A 13 -2.805 -8.173 6.285 1.00 1.33 C ATOM 173 C THR A 13 -2.128 -7.606 5.034 1.00 1.11 C ATOM 174 O THR A 13 -2.059 -6.385 4.846 1.00 1.92 O ATOM 175 CB THR A 13 -4.333 -8.029 6.297 1.00 1.62 C ATOM 176 OG1 THR A 13 -4.939 -8.972 5.442 1.00 1.88 O ATOM 177 CG2 THR A 13 -4.785 -6.649 5.840 1.00 1.60 C ATOM 0 H THR A 13 -2.820 -6.906 7.972 1.00 1.42 H new ATOM 0 HA THR A 13 -2.650 -9.251 6.326 1.00 1.33 H new ATOM 0 HB THR A 13 -4.637 -8.192 7.331 1.00 1.62 H new ATOM 0 HG1 THR A 13 -5.912 -8.860 5.469 1.00 1.88 H new ATOM 0 HG21 THR A 13 -5.873 -6.596 5.865 1.00 1.60 H new ATOM 0 HG22 THR A 13 -4.369 -5.891 6.504 1.00 1.60 H new ATOM 0 HG23 THR A 13 -4.437 -6.470 4.823 1.00 1.60 H new ATOM 185 N GLU A 14 -1.601 -8.490 4.197 1.00 0.70 N ATOM 186 CA GLU A 14 -1.164 -8.150 2.869 1.00 0.66 C ATOM 187 C GLU A 14 -2.171 -8.779 1.921 1.00 0.88 C ATOM 188 O GLU A 14 -2.654 -9.884 2.165 1.00 1.54 O ATOM 189 CB GLU A 14 0.268 -8.645 2.612 1.00 0.97 C ATOM 190 CG GLU A 14 0.497 -10.140 2.873 1.00 1.78 C ATOM 191 CD GLU A 14 1.846 -10.576 2.302 1.00 2.26 C ATOM 192 OE1 GLU A 14 2.877 -10.182 2.892 1.00 2.92 O ATOM 193 OE2 GLU A 14 1.831 -11.270 1.262 1.00 3.07 O ATOM 0 H GLU A 14 -1.468 -9.473 4.434 1.00 0.70 H new ATOM 0 HA GLU A 14 -1.125 -7.071 2.723 1.00 0.66 H new ATOM 0 HB2 GLU A 14 0.530 -8.429 1.576 1.00 0.97 H new ATOM 0 HB3 GLU A 14 0.952 -8.074 3.240 1.00 0.97 H new ATOM 0 HG2 GLU A 14 0.466 -10.338 3.944 1.00 1.78 H new ATOM 0 HG3 GLU A 14 -0.304 -10.723 2.418 1.00 1.78 H new ATOM 200 N GLU A 15 -2.507 -8.078 0.846 1.00 0.79 N ATOM 201 CA GLU A 15 -3.263 -8.659 -0.240 1.00 1.01 C ATOM 202 C GLU A 15 -2.765 -8.047 -1.553 1.00 1.06 C ATOM 203 O GLU A 15 -1.784 -7.303 -1.568 1.00 2.26 O ATOM 204 CB GLU A 15 -4.772 -8.444 -0.011 1.00 1.46 C ATOM 205 CG GLU A 15 -5.585 -9.678 -0.432 1.00 1.95 C ATOM 206 CD GLU A 15 -7.077 -9.358 -0.558 1.00 2.61 C ATOM 207 OE1 GLU A 15 -7.780 -9.427 0.471 1.00 2.94 O ATOM 208 OE2 GLU A 15 -7.502 -9.052 -1.697 1.00 3.60 O ATOM 0 H GLU A 15 -2.262 -7.097 0.709 1.00 0.79 H new ATOM 0 HA GLU A 15 -3.113 -9.738 -0.289 1.00 1.01 H new ATOM 0 HB2 GLU A 15 -4.955 -8.228 1.042 1.00 1.46 H new ATOM 0 HB3 GLU A 15 -5.107 -7.575 -0.577 1.00 1.46 H new ATOM 0 HG2 GLU A 15 -5.211 -10.052 -1.385 1.00 1.95 H new ATOM 0 HG3 GLU A 15 -5.444 -10.473 0.300 1.00 1.95 H new ATOM 215 N LYS A 16 -3.446 -8.362 -2.657 1.00 0.81 N ATOM 216 CA LYS A 16 -3.250 -7.747 -3.964 1.00 0.63 C ATOM 217 C LYS A 16 -3.089 -6.232 -3.848 1.00 0.52 C ATOM 218 O LYS A 16 -3.793 -5.578 -3.077 1.00 0.68 O ATOM 219 CB LYS A 16 -4.392 -8.107 -4.925 1.00 0.83 C ATOM 220 CG LYS A 16 -5.745 -7.955 -4.236 1.00 1.83 C ATOM 221 CD LYS A 16 -6.940 -8.068 -5.177 1.00 2.81 C ATOM 222 CE LYS A 16 -8.160 -8.255 -4.270 1.00 3.71 C ATOM 223 NZ LYS A 16 -9.433 -8.296 -5.012 1.00 4.68 N ATOM 0 H LYS A 16 -4.173 -9.077 -2.662 1.00 0.81 H new ATOM 0 HA LYS A 16 -2.325 -8.148 -4.379 1.00 0.63 H new ATOM 0 HB2 LYS A 16 -4.351 -7.463 -5.803 1.00 0.83 H new ATOM 0 HB3 LYS A 16 -4.270 -9.132 -5.275 1.00 0.83 H new ATOM 0 HG2 LYS A 16 -5.833 -8.716 -3.461 1.00 1.83 H new ATOM 0 HG3 LYS A 16 -5.780 -6.987 -3.737 1.00 1.83 H new ATOM 0 HD2 LYS A 16 -7.041 -7.173 -5.791 1.00 2.81 H new ATOM 0 HD3 LYS A 16 -6.825 -8.911 -5.858 1.00 2.81 H new ATOM 0 HE2 LYS A 16 -8.046 -9.180 -3.705 1.00 3.71 H new ATOM 0 HE3 LYS A 16 -8.195 -7.441 -3.546 1.00 3.71 H new ATOM 0 HZ1 LYS A 16 -10.220 -8.424 -4.344 1.00 4.68 H new ATOM 0 HZ2 LYS A 16 -9.561 -7.404 -5.531 1.00 4.68 H new ATOM 0 HZ3 LYS A 16 -9.417 -9.089 -5.685 1.00 4.68 H new ATOM 237 N CYS A 17 -2.177 -5.662 -4.635 1.00 0.40 N ATOM 238 CA CYS A 17 -2.003 -4.240 -4.654 1.00 0.33 C ATOM 239 C CYS A 17 -3.269 -3.621 -5.236 1.00 0.35 C ATOM 240 O CYS A 17 -3.855 -4.105 -6.201 1.00 0.48 O ATOM 241 CB CYS A 17 -0.767 -3.858 -5.467 1.00 0.33 C ATOM 242 SG CYS A 17 -0.162 -2.202 -5.031 1.00 0.29 S ATOM 0 H CYS A 17 -1.556 -6.176 -5.261 1.00 0.40 H new ATOM 0 HA CYS A 17 -1.843 -3.863 -3.644 1.00 0.33 H new ATOM 0 HB2 CYS A 17 0.022 -4.590 -5.296 1.00 0.33 H new ATOM 0 HB3 CYS A 17 -1.006 -3.890 -6.530 1.00 0.33 H new ATOM 247 N THR A 18 -3.673 -2.504 -4.656 1.00 0.32 N ATOM 248 CA THR A 18 -4.883 -1.815 -5.063 1.00 0.35 C ATOM 249 C THR A 18 -4.501 -0.494 -5.711 1.00 0.30 C ATOM 250 O THR A 18 -5.203 -0.008 -6.587 1.00 0.36 O ATOM 251 CB THR A 18 -5.866 -1.753 -3.889 1.00 0.47 C ATOM 252 OG1 THR A 18 -7.154 -2.128 -4.323 1.00 1.58 O ATOM 253 CG2 THR A 18 -5.950 -0.377 -3.250 1.00 1.22 C ATOM 0 H THR A 18 -3.172 -2.051 -3.892 1.00 0.32 H new ATOM 0 HA THR A 18 -5.434 -2.354 -5.833 1.00 0.35 H new ATOM 0 HB THR A 18 -5.488 -2.444 -3.135 1.00 0.47 H new ATOM 0 HG1 THR A 18 -7.778 -2.088 -3.568 1.00 1.58 H new ATOM 0 HG21 THR A 18 -6.663 -0.401 -2.426 1.00 1.22 H new ATOM 0 HG22 THR A 18 -4.968 -0.091 -2.872 1.00 1.22 H new ATOM 0 HG23 THR A 18 -6.279 0.350 -3.993 1.00 1.22 H new ATOM 261 N ILE A 19 -3.333 0.049 -5.360 1.00 0.25 N ATOM 262 CA ILE A 19 -2.779 1.196 -6.036 1.00 0.27 C ATOM 263 C ILE A 19 -2.379 0.796 -7.450 1.00 0.31 C ATOM 264 O ILE A 19 -2.617 1.551 -8.387 1.00 0.38 O ATOM 265 CB ILE A 19 -1.603 1.732 -5.206 1.00 0.28 C ATOM 266 CG1 ILE A 19 -2.105 2.289 -3.861 1.00 0.29 C ATOM 267 CG2 ILE A 19 -0.850 2.826 -5.955 1.00 0.35 C ATOM 268 CD1 ILE A 19 -1.957 1.281 -2.722 1.00 0.29 C ATOM 0 H ILE A 19 -2.754 -0.303 -4.598 1.00 0.25 H new ATOM 0 HA ILE A 19 -3.509 2.000 -6.127 1.00 0.27 H new ATOM 0 HB ILE A 19 -0.922 0.900 -5.026 1.00 0.28 H new ATOM 0 HG12 ILE A 19 -1.550 3.194 -3.616 1.00 0.29 H new ATOM 0 HG13 ILE A 19 -3.153 2.574 -3.957 1.00 0.29 H new ATOM 0 HG21 ILE A 19 -0.024 3.185 -5.341 1.00 0.35 H new ATOM 0 HG22 ILE A 19 -0.460 2.424 -6.890 1.00 0.35 H new ATOM 0 HG23 ILE A 19 -1.528 3.652 -6.170 1.00 0.35 H new ATOM 0 HD11 ILE A 19 -2.325 1.722 -1.796 1.00 0.29 H new ATOM 0 HD12 ILE A 19 -2.534 0.385 -2.952 1.00 0.29 H new ATOM 0 HD13 ILE A 19 -0.906 1.016 -2.605 1.00 0.29 H new ATOM 280 N CYS A 20 -1.802 -0.398 -7.617 1.00 0.29 N ATOM 281 CA CYS A 20 -1.455 -0.870 -8.952 1.00 0.36 C ATOM 282 C CYS A 20 -2.640 -1.589 -9.615 1.00 0.31 C ATOM 283 O CYS A 20 -2.454 -2.207 -10.659 1.00 0.36 O ATOM 284 CB CYS A 20 -0.256 -1.819 -8.887 1.00 0.50 C ATOM 285 SG CYS A 20 1.181 -1.017 -8.119 1.00 0.99 S ATOM 0 H CYS A 20 -1.571 -1.040 -6.859 1.00 0.29 H new ATOM 0 HA CYS A 20 -1.197 0.002 -9.553 1.00 0.36 H new ATOM 0 HB2 CYS A 20 -0.525 -2.709 -8.319 1.00 0.50 H new ATOM 0 HB3 CYS A 20 0.004 -2.149 -9.893 1.00 0.50 H new ATOM 290 N LEU A 21 -3.832 -1.554 -9.004 1.00 0.30 N ATOM 291 CA LEU A 21 -5.004 -2.340 -9.395 1.00 0.35 C ATOM 292 C LEU A 21 -4.639 -3.752 -9.889 1.00 0.43 C ATOM 293 O LEU A 21 -5.106 -4.193 -10.936 1.00 0.77 O ATOM 294 CB LEU A 21 -5.880 -1.596 -10.404 1.00 0.42 C ATOM 295 CG LEU A 21 -6.761 -0.544 -9.725 1.00 0.54 C ATOM 296 CD1 LEU A 21 -6.025 0.778 -9.548 1.00 0.75 C ATOM 297 CD2 LEU A 21 -8.018 -0.303 -10.561 1.00 0.84 C ATOM 0 H LEU A 21 -4.010 -0.956 -8.197 1.00 0.30 H new ATOM 0 HA LEU A 21 -5.594 -2.475 -8.489 1.00 0.35 H new ATOM 0 HB2 LEU A 21 -5.247 -1.114 -11.149 1.00 0.42 H new ATOM 0 HB3 LEU A 21 -6.510 -2.310 -10.935 1.00 0.42 H new ATOM 0 HG LEU A 21 -7.027 -0.925 -8.739 1.00 0.54 H new ATOM 0 HD11 LEU A 21 -6.683 1.499 -9.063 1.00 0.75 H new ATOM 0 HD12 LEU A 21 -5.140 0.622 -8.931 1.00 0.75 H new ATOM 0 HD13 LEU A 21 -5.724 1.161 -10.523 1.00 0.75 H new ATOM 0 HD21 LEU A 21 -8.641 0.446 -10.073 1.00 0.84 H new ATOM 0 HD22 LEU A 21 -7.734 0.051 -11.552 1.00 0.84 H new ATOM 0 HD23 LEU A 21 -8.577 -1.234 -10.655 1.00 0.84 H new ATOM 309 N SER A 22 -3.785 -4.468 -9.156 1.00 0.35 N ATOM 310 CA SER A 22 -3.269 -5.771 -9.576 1.00 0.39 C ATOM 311 C SER A 22 -2.588 -6.497 -8.417 1.00 0.36 C ATOM 312 O SER A 22 -2.147 -5.883 -7.452 1.00 0.33 O ATOM 313 CB SER A 22 -2.247 -5.599 -10.710 1.00 0.50 C ATOM 314 OG SER A 22 -2.899 -5.537 -11.962 1.00 1.49 O ATOM 0 H SER A 22 -3.431 -4.159 -8.251 1.00 0.35 H new ATOM 0 HA SER A 22 -4.118 -6.361 -9.920 1.00 0.39 H new ATOM 0 HB2 SER A 22 -1.668 -4.690 -10.550 1.00 0.50 H new ATOM 0 HB3 SER A 22 -1.543 -6.431 -10.701 1.00 0.50 H new ATOM 0 HG SER A 22 -3.760 -5.079 -11.860 1.00 1.49 H new ATOM 320 N ILE A 23 -2.467 -7.821 -8.528 1.00 0.45 N ATOM 321 CA ILE A 23 -1.724 -8.646 -7.596 1.00 0.46 C ATOM 322 C ILE A 23 -0.306 -8.116 -7.381 1.00 0.43 C ATOM 323 O ILE A 23 0.275 -7.473 -8.254 1.00 0.44 O ATOM 324 CB ILE A 23 -1.769 -10.118 -8.026 1.00 0.53 C ATOM 325 CG1 ILE A 23 -1.337 -10.408 -9.472 1.00 0.58 C ATOM 326 CG2 ILE A 23 -3.190 -10.652 -7.846 1.00 0.72 C ATOM 327 CD1 ILE A 23 0.162 -10.641 -9.553 1.00 2.16 C ATOM 0 H ILE A 23 -2.894 -8.353 -9.286 1.00 0.45 H new ATOM 0 HA ILE A 23 -2.205 -8.591 -6.619 1.00 0.46 H new ATOM 0 HB ILE A 23 -1.039 -10.615 -7.386 1.00 0.53 H new ATOM 0 HG12 ILE A 23 -1.866 -11.285 -9.845 1.00 0.58 H new ATOM 0 HG13 ILE A 23 -1.614 -9.572 -10.113 1.00 0.58 H new ATOM 0 HG21 ILE A 23 -3.227 -11.698 -8.150 1.00 0.72 H new ATOM 0 HG22 ILE A 23 -3.480 -10.568 -6.799 1.00 0.72 H new ATOM 0 HG23 ILE A 23 -3.878 -10.071 -8.460 1.00 0.72 H new ATOM 0 HD11 ILE A 23 0.443 -10.844 -10.586 1.00 2.16 H new ATOM 0 HD12 ILE A 23 0.688 -9.753 -9.202 1.00 2.16 H new ATOM 0 HD13 ILE A 23 0.432 -11.493 -8.929 1.00 2.16 H new ATOM 339 N LEU A 24 0.235 -8.367 -6.189 1.00 0.45 N ATOM 340 CA LEU A 24 1.622 -8.104 -5.892 1.00 0.48 C ATOM 341 C LEU A 24 2.507 -9.078 -6.653 1.00 0.60 C ATOM 342 O LEU A 24 2.063 -10.117 -7.134 1.00 0.69 O ATOM 343 CB LEU A 24 1.862 -8.247 -4.384 1.00 0.55 C ATOM 344 CG LEU A 24 1.469 -6.995 -3.600 1.00 0.48 C ATOM 345 CD1 LEU A 24 1.559 -7.250 -2.095 1.00 0.66 C ATOM 346 CD2 LEU A 24 2.364 -5.804 -3.938 1.00 0.57 C ATOM 0 H LEU A 24 -0.288 -8.760 -5.406 1.00 0.45 H new ATOM 0 HA LEU A 24 1.869 -7.088 -6.199 1.00 0.48 H new ATOM 0 HB2 LEU A 24 1.293 -9.098 -4.009 1.00 0.55 H new ATOM 0 HB3 LEU A 24 2.915 -8.465 -4.207 1.00 0.55 H new ATOM 0 HG LEU A 24 0.443 -6.760 -3.884 1.00 0.48 H new ATOM 0 HD11 LEU A 24 1.275 -6.347 -1.555 1.00 0.66 H new ATOM 0 HD12 LEU A 24 0.885 -8.062 -1.823 1.00 0.66 H new ATOM 0 HD13 LEU A 24 2.581 -7.523 -1.833 1.00 0.66 H new ATOM 0 HD21 LEU A 24 2.049 -4.936 -3.358 1.00 0.57 H new ATOM 0 HD22 LEU A 24 3.399 -6.046 -3.696 1.00 0.57 H new ATOM 0 HD23 LEU A 24 2.284 -5.579 -5.001 1.00 0.57 H new ATOM 358 N GLU A 25 3.779 -8.720 -6.727 1.00 0.71 N ATOM 359 CA GLU A 25 4.781 -9.368 -7.549 1.00 0.85 C ATOM 360 C GLU A 25 6.115 -9.251 -6.817 1.00 0.64 C ATOM 361 O GLU A 25 6.335 -8.284 -6.084 1.00 0.79 O ATOM 362 CB GLU A 25 4.831 -8.678 -8.923 1.00 1.13 C ATOM 363 CG GLU A 25 5.314 -7.241 -8.729 1.00 1.05 C ATOM 364 CD GLU A 25 4.994 -6.284 -9.870 1.00 1.38 C ATOM 365 OE1 GLU A 25 5.080 -6.700 -11.044 1.00 1.81 O ATOM 366 OE2 GLU A 25 4.689 -5.122 -9.512 1.00 2.43 O ATOM 0 H GLU A 25 4.154 -7.937 -6.192 1.00 0.71 H new ATOM 0 HA GLU A 25 4.548 -10.420 -7.715 1.00 0.85 H new ATOM 0 HB2 GLU A 25 5.502 -9.216 -9.592 1.00 1.13 H new ATOM 0 HB3 GLU A 25 3.845 -8.686 -9.387 1.00 1.13 H new ATOM 0 HG2 GLU A 25 4.873 -6.848 -7.813 1.00 1.05 H new ATOM 0 HG3 GLU A 25 6.394 -7.255 -8.582 1.00 1.05 H new ATOM 373 N GLU A 26 7.017 -10.208 -7.018 1.00 0.92 N ATOM 374 CA GLU A 26 8.363 -10.146 -6.486 1.00 1.21 C ATOM 375 C GLU A 26 9.195 -9.223 -7.382 1.00 1.53 C ATOM 376 O GLU A 26 10.004 -9.687 -8.182 1.00 1.92 O ATOM 377 CB GLU A 26 8.951 -11.560 -6.407 1.00 1.78 C ATOM 378 CG GLU A 26 8.211 -12.397 -5.356 1.00 1.85 C ATOM 379 CD GLU A 26 8.698 -13.845 -5.357 1.00 2.56 C ATOM 380 OE1 GLU A 26 9.792 -14.086 -4.799 1.00 3.21 O ATOM 381 OE2 GLU A 26 7.970 -14.693 -5.919 1.00 3.51 O ATOM 0 H GLU A 26 6.827 -11.051 -7.559 1.00 0.92 H new ATOM 0 HA GLU A 26 8.366 -9.739 -5.475 1.00 1.21 H new ATOM 0 HB2 GLU A 26 8.879 -12.044 -7.381 1.00 1.78 H new ATOM 0 HB3 GLU A 26 10.010 -11.505 -6.156 1.00 1.78 H new ATOM 0 HG2 GLU A 26 8.362 -11.961 -4.368 1.00 1.85 H new ATOM 0 HG3 GLU A 26 7.140 -12.371 -5.556 1.00 1.85 H new ATOM 388 N GLY A 27 8.967 -7.913 -7.275 1.00 1.82 N ATOM 389 CA GLY A 27 9.629 -6.924 -8.117 1.00 2.50 C ATOM 390 C GLY A 27 10.766 -6.250 -7.359 1.00 2.08 C ATOM 391 O GLY A 27 11.922 -6.306 -7.768 1.00 2.43 O ATOM 0 H GLY A 27 8.317 -7.511 -6.600 1.00 1.82 H new ATOM 0 HA2 GLY A 27 10.018 -7.404 -9.015 1.00 2.50 H new ATOM 0 HA3 GLY A 27 8.908 -6.175 -8.443 1.00 2.50 H new ATOM 395 N GLU A 28 10.431 -5.604 -6.246 1.00 1.45 N ATOM 396 CA GLU A 28 11.350 -4.983 -5.326 1.00 1.07 C ATOM 397 C GLU A 28 10.845 -5.321 -3.925 1.00 0.67 C ATOM 398 O GLU A 28 10.079 -6.269 -3.749 1.00 0.76 O ATOM 399 CB GLU A 28 11.370 -3.479 -5.609 1.00 1.36 C ATOM 400 CG GLU A 28 12.688 -2.847 -5.155 1.00 1.73 C ATOM 401 CD GLU A 28 12.451 -1.585 -4.327 1.00 2.52 C ATOM 402 OE1 GLU A 28 12.161 -1.760 -3.123 1.00 3.86 O ATOM 403 OE2 GLU A 28 12.512 -0.466 -4.881 1.00 2.90 O ATOM 0 H GLU A 28 9.459 -5.500 -5.956 1.00 1.45 H new ATOM 0 HA GLU A 28 12.376 -5.338 -5.427 1.00 1.07 H new ATOM 0 HB2 GLU A 28 11.229 -3.305 -6.676 1.00 1.36 H new ATOM 0 HB3 GLU A 28 10.537 -2.999 -5.095 1.00 1.36 H new ATOM 0 HG2 GLU A 28 13.254 -3.568 -4.566 1.00 1.73 H new ATOM 0 HG3 GLU A 28 13.294 -2.602 -6.027 1.00 1.73 H new ATOM 410 N ASP A 29 11.270 -4.553 -2.934 1.00 0.53 N ATOM 411 CA ASP A 29 10.828 -4.725 -1.563 1.00 0.51 C ATOM 412 C ASP A 29 9.391 -4.215 -1.421 1.00 0.59 C ATOM 413 O ASP A 29 8.844 -3.542 -2.301 1.00 0.86 O ATOM 414 CB ASP A 29 11.785 -3.985 -0.612 1.00 0.82 C ATOM 415 CG ASP A 29 11.818 -4.590 0.794 1.00 1.46 C ATOM 416 OD1 ASP A 29 10.991 -5.490 1.066 1.00 2.65 O ATOM 417 OD2 ASP A 29 12.684 -4.156 1.585 1.00 2.16 O ATOM 0 H ASP A 29 11.935 -3.790 -3.061 1.00 0.53 H new ATOM 0 HA ASP A 29 10.841 -5.782 -1.297 1.00 0.51 H new ATOM 0 HB2 ASP A 29 12.791 -4.001 -1.032 1.00 0.82 H new ATOM 0 HB3 ASP A 29 11.485 -2.939 -0.545 1.00 0.82 H new ATOM 422 N VAL A 30 8.754 -4.511 -0.294 1.00 0.57 N ATOM 423 CA VAL A 30 7.418 -4.072 0.005 1.00 0.61 C ATOM 424 C VAL A 30 7.378 -3.325 1.316 1.00 0.66 C ATOM 425 O VAL A 30 8.347 -3.293 2.069 1.00 0.74 O ATOM 426 CB VAL A 30 6.468 -5.252 -0.005 1.00 0.58 C ATOM 427 CG1 VAL A 30 6.379 -5.804 -1.412 1.00 0.60 C ATOM 428 CG2 VAL A 30 6.888 -6.334 0.975 1.00 0.61 C ATOM 0 H VAL A 30 9.171 -5.076 0.446 1.00 0.57 H new ATOM 0 HA VAL A 30 7.092 -3.376 -0.768 1.00 0.61 H new ATOM 0 HB VAL A 30 5.486 -4.906 0.318 1.00 0.58 H new ATOM 0 HG11 VAL A 30 5.697 -6.654 -1.427 1.00 0.60 H new ATOM 0 HG12 VAL A 30 6.009 -5.030 -2.084 1.00 0.60 H new ATOM 0 HG13 VAL A 30 7.367 -6.126 -1.740 1.00 0.60 H new ATOM 0 HG21 VAL A 30 6.177 -7.159 0.932 1.00 0.61 H new ATOM 0 HG22 VAL A 30 7.882 -6.697 0.712 1.00 0.61 H new ATOM 0 HG23 VAL A 30 6.907 -5.923 1.984 1.00 0.61 H new ATOM 438 N ARG A 31 6.255 -2.664 1.569 1.00 0.60 N ATOM 439 CA ARG A 31 6.164 -1.774 2.708 1.00 0.57 C ATOM 440 C ARG A 31 4.708 -1.581 3.101 1.00 0.54 C ATOM 441 O ARG A 31 3.837 -1.501 2.239 1.00 0.55 O ATOM 442 CB ARG A 31 6.855 -0.449 2.358 1.00 0.53 C ATOM 443 CG ARG A 31 7.797 0.067 3.451 1.00 0.56 C ATOM 444 CD ARG A 31 9.085 -0.766 3.438 1.00 1.31 C ATOM 445 NE ARG A 31 10.141 -0.182 4.280 1.00 1.70 N ATOM 446 CZ ARG A 31 10.500 -0.598 5.502 1.00 2.47 C ATOM 447 NH1 ARG A 31 9.842 -1.589 6.106 1.00 3.64 N ATOM 448 NH2 ARG A 31 11.524 -0.012 6.125 1.00 2.69 N ATOM 0 H ARG A 31 5.407 -2.729 1.006 1.00 0.60 H new ATOM 0 HA ARG A 31 6.672 -2.203 3.572 1.00 0.57 H new ATOM 0 HB2 ARG A 31 7.421 -0.578 1.435 1.00 0.53 H new ATOM 0 HB3 ARG A 31 6.094 0.306 2.162 1.00 0.53 H new ATOM 0 HG2 ARG A 31 8.028 1.119 3.283 1.00 0.56 H new ATOM 0 HG3 ARG A 31 7.315 -0.001 4.426 1.00 0.56 H new ATOM 0 HD2 ARG A 31 8.865 -1.776 3.785 1.00 1.31 H new ATOM 0 HD3 ARG A 31 9.448 -0.853 2.414 1.00 1.31 H new ATOM 0 HE ARG A 31 10.648 0.616 3.897 1.00 1.70 H new ATOM 0 HH11 ARG A 31 9.056 -2.039 5.637 1.00 3.64 H new ATOM 0 HH12 ARG A 31 10.125 -1.897 7.036 1.00 3.64 H new ATOM 0 HH21 ARG A 31 12.029 0.749 5.671 1.00 2.69 H new ATOM 0 HH22 ARG A 31 11.801 -0.325 7.055 1.00 2.69 H new ATOM 462 N ARG A 32 4.426 -1.509 4.401 1.00 0.59 N ATOM 463 CA ARG A 32 3.073 -1.348 4.885 1.00 0.59 C ATOM 464 C ARG A 32 2.845 0.083 5.309 1.00 0.61 C ATOM 465 O ARG A 32 3.789 0.730 5.764 1.00 0.69 O ATOM 466 CB ARG A 32 2.793 -2.363 6.001 1.00 0.71 C ATOM 467 CG ARG A 32 3.601 -2.229 7.301 1.00 0.85 C ATOM 468 CD ARG A 32 3.110 -3.362 8.209 1.00 1.93 C ATOM 469 NE ARG A 32 3.782 -3.431 9.513 1.00 2.31 N ATOM 470 CZ ARG A 32 4.909 -4.096 9.788 1.00 2.13 C ATOM 471 NH1 ARG A 32 5.519 -4.832 8.860 1.00 2.51 N ATOM 472 NH2 ARG A 32 5.419 -4.017 11.014 1.00 2.64 N ATOM 0 H ARG A 32 5.130 -1.561 5.137 1.00 0.59 H new ATOM 0 HA ARG A 32 2.360 -1.555 4.087 1.00 0.59 H new ATOM 0 HB2 ARG A 32 1.735 -2.300 6.255 1.00 0.71 H new ATOM 0 HB3 ARG A 32 2.966 -3.361 5.599 1.00 0.71 H new ATOM 0 HG2 ARG A 32 4.670 -2.316 7.109 1.00 0.85 H new ATOM 0 HG3 ARG A 32 3.439 -1.256 7.765 1.00 0.85 H new ATOM 0 HD2 ARG A 32 2.039 -3.242 8.372 1.00 1.93 H new ATOM 0 HD3 ARG A 32 3.249 -4.311 7.692 1.00 1.93 H new ATOM 0 HE ARG A 32 3.347 -2.923 10.283 1.00 2.31 H new ATOM 0 HH11 ARG A 32 5.127 -4.895 7.920 1.00 2.51 H new ATOM 0 HH12 ARG A 32 6.378 -5.332 9.089 1.00 2.51 H new ATOM 0 HH21 ARG A 32 4.951 -3.456 11.726 1.00 2.64 H new ATOM 0 HH22 ARG A 32 6.278 -4.517 11.242 1.00 2.64 H new ATOM 486 N LEU A 33 1.621 0.600 5.151 1.00 0.57 N ATOM 487 CA LEU A 33 1.354 1.911 5.694 1.00 0.56 C ATOM 488 C LEU A 33 1.501 1.810 7.214 1.00 0.50 C ATOM 489 O LEU A 33 1.238 0.740 7.768 1.00 0.51 O ATOM 490 CB LEU A 33 -0.061 2.381 5.347 1.00 0.71 C ATOM 491 CG LEU A 33 -0.622 2.036 3.964 1.00 0.77 C ATOM 492 CD1 LEU A 33 0.336 2.331 2.820 1.00 2.09 C ATOM 493 CD2 LEU A 33 -1.213 0.638 3.827 1.00 2.89 C ATOM 0 H LEU A 33 0.842 0.147 4.674 1.00 0.57 H new ATOM 0 HA LEU A 33 2.051 2.634 5.271 1.00 0.56 H new ATOM 0 HB2 LEU A 33 -0.740 1.970 6.093 1.00 0.71 H new ATOM 0 HB3 LEU A 33 -0.087 3.465 5.455 1.00 0.71 H new ATOM 0 HG LEU A 33 -1.463 2.725 3.880 1.00 0.77 H new ATOM 0 HD11 LEU A 33 -0.133 2.060 1.874 1.00 2.09 H new ATOM 0 HD12 LEU A 33 0.579 3.394 2.814 1.00 2.09 H new ATOM 0 HD13 LEU A 33 1.249 1.751 2.951 1.00 2.09 H new ATOM 0 HD21 LEU A 33 -1.581 0.497 2.811 1.00 2.89 H new ATOM 0 HD22 LEU A 33 -0.444 -0.105 4.041 1.00 2.89 H new ATOM 0 HD23 LEU A 33 -2.037 0.521 4.531 1.00 2.89 H new ATOM 505 N PRO A 34 1.818 2.910 7.910 1.00 0.56 N ATOM 506 CA PRO A 34 1.888 2.919 9.367 1.00 0.63 C ATOM 507 C PRO A 34 0.583 2.434 10.021 1.00 0.58 C ATOM 508 O PRO A 34 0.598 2.021 11.176 1.00 0.72 O ATOM 509 CB PRO A 34 2.255 4.350 9.778 1.00 0.88 C ATOM 510 CG PRO A 34 2.602 5.085 8.479 1.00 0.64 C ATOM 511 CD PRO A 34 2.057 4.223 7.343 1.00 0.75 C ATOM 0 HA PRO A 34 2.643 2.216 9.718 1.00 0.63 H new ATOM 0 HB2 PRO A 34 1.424 4.834 10.291 1.00 0.88 H new ATOM 0 HB3 PRO A 34 3.100 4.354 10.467 1.00 0.88 H new ATOM 0 HG2 PRO A 34 2.155 6.079 8.463 1.00 0.64 H new ATOM 0 HG3 PRO A 34 3.680 5.219 8.383 1.00 0.64 H new ATOM 0 HD2 PRO A 34 1.137 4.646 6.940 1.00 0.75 H new ATOM 0 HD3 PRO A 34 2.770 4.168 6.520 1.00 0.75 H new ATOM 519 N CYS A 35 -0.528 2.467 9.273 1.00 0.56 N ATOM 520 CA CYS A 35 -1.832 1.917 9.619 1.00 0.61 C ATOM 521 C CYS A 35 -1.710 0.486 10.157 1.00 0.67 C ATOM 522 O CYS A 35 -2.162 0.216 11.265 1.00 0.96 O ATOM 523 CB CYS A 35 -2.686 1.941 8.343 1.00 0.67 C ATOM 524 SG CYS A 35 -4.302 1.139 8.537 1.00 1.39 S ATOM 0 H CYS A 35 -0.533 2.908 8.353 1.00 0.56 H new ATOM 0 HA CYS A 35 -2.292 2.511 10.409 1.00 0.61 H new ATOM 0 HB2 CYS A 35 -2.838 2.976 8.036 1.00 0.67 H new ATOM 0 HB3 CYS A 35 -2.139 1.448 7.540 1.00 0.67 H new ATOM 529 N MET A 36 -1.204 -0.436 9.326 1.00 0.51 N ATOM 530 CA MET A 36 -1.357 -1.884 9.418 1.00 0.56 C ATOM 531 C MET A 36 -1.204 -2.482 8.020 1.00 0.48 C ATOM 532 O MET A 36 -0.286 -3.254 7.771 1.00 0.64 O ATOM 533 CB MET A 36 -2.723 -2.299 10.001 1.00 0.63 C ATOM 534 CG MET A 36 -2.626 -2.753 11.459 1.00 1.60 C ATOM 535 SD MET A 36 -4.236 -3.081 12.224 1.00 2.50 S ATOM 536 CE MET A 36 -3.673 -3.621 13.856 1.00 3.80 C ATOM 0 H MET A 36 -0.640 -0.166 8.520 1.00 0.51 H new ATOM 0 HA MET A 36 -0.589 -2.259 10.095 1.00 0.56 H new ATOM 0 HB2 MET A 36 -3.414 -1.459 9.931 1.00 0.63 H new ATOM 0 HB3 MET A 36 -3.141 -3.107 9.400 1.00 0.63 H new ATOM 0 HG2 MET A 36 -2.018 -3.656 11.510 1.00 1.60 H new ATOM 0 HG3 MET A 36 -2.108 -1.987 12.036 1.00 1.60 H new ATOM 0 HE1 MET A 36 -4.535 -3.869 14.475 1.00 3.80 H new ATOM 0 HE2 MET A 36 -3.038 -4.501 13.749 1.00 3.80 H new ATOM 0 HE3 MET A 36 -3.106 -2.819 14.329 1.00 3.80 H new ATOM 546 N HIS A 37 -2.134 -2.149 7.118 1.00 0.45 N ATOM 547 CA HIS A 37 -2.288 -2.818 5.827 1.00 0.45 C ATOM 548 C HIS A 37 -0.996 -2.711 5.008 1.00 0.41 C ATOM 549 O HIS A 37 -0.263 -1.734 5.145 1.00 0.45 O ATOM 550 CB HIS A 37 -3.467 -2.207 5.048 1.00 0.49 C ATOM 551 CG HIS A 37 -4.824 -2.293 5.731 1.00 0.56 C ATOM 552 ND1 HIS A 37 -5.550 -1.295 6.412 1.00 0.52 N ATOM 553 CD2 HIS A 37 -5.575 -3.432 5.726 1.00 0.74 C ATOM 554 CE1 HIS A 37 -6.670 -1.891 6.846 1.00 0.63 C ATOM 555 NE2 HIS A 37 -6.716 -3.173 6.450 1.00 0.77 N ATOM 0 H HIS A 37 -2.808 -1.398 7.268 1.00 0.45 H new ATOM 0 HA HIS A 37 -2.496 -3.873 6.006 1.00 0.45 H new ATOM 0 HB2 HIS A 37 -3.245 -1.158 4.853 1.00 0.49 H new ATOM 0 HB3 HIS A 37 -3.536 -2.704 4.080 1.00 0.49 H new ATOM 0 HD2 HIS A 37 -5.321 -4.364 5.243 1.00 0.74 H new ATOM 0 HE1 HIS A 37 -7.433 -1.405 7.435 1.00 0.63 H new ATOM 0 HE2 HIS A 37 -7.464 -3.837 6.650 1.00 0.77 H new ATOM 563 N LEU A 38 -0.728 -3.680 4.128 1.00 0.40 N ATOM 564 CA LEU A 38 0.542 -3.750 3.398 1.00 0.40 C ATOM 565 C LEU A 38 0.364 -3.564 1.902 1.00 0.39 C ATOM 566 O LEU A 38 -0.651 -3.969 1.340 1.00 0.40 O ATOM 567 CB LEU A 38 1.279 -5.052 3.724 1.00 0.41 C ATOM 568 CG LEU A 38 2.664 -5.209 3.077 1.00 0.42 C ATOM 569 CD1 LEU A 38 3.585 -6.030 3.984 1.00 0.93 C ATOM 570 CD2 LEU A 38 2.622 -5.921 1.718 1.00 0.79 C ATOM 0 H LEU A 38 -1.379 -4.432 3.902 1.00 0.40 H new ATOM 0 HA LEU A 38 1.158 -2.916 3.735 1.00 0.40 H new ATOM 0 HB2 LEU A 38 1.393 -5.124 4.806 1.00 0.41 H new ATOM 0 HB3 LEU A 38 0.655 -5.890 3.413 1.00 0.41 H new ATOM 0 HG LEU A 38 3.034 -4.194 2.932 1.00 0.42 H new ATOM 0 HD11 LEU A 38 4.562 -6.133 3.513 1.00 0.93 H new ATOM 0 HD12 LEU A 38 3.696 -5.524 4.943 1.00 0.93 H new ATOM 0 HD13 LEU A 38 3.153 -7.018 4.143 1.00 0.93 H new ATOM 0 HD21 LEU A 38 3.632 -5.999 1.317 1.00 0.79 H new ATOM 0 HD22 LEU A 38 2.203 -6.920 1.843 1.00 0.79 H new ATOM 0 HD23 LEU A 38 2.000 -5.351 1.028 1.00 0.79 H new ATOM 582 N PHE A 39 1.382 -2.977 1.265 1.00 0.38 N ATOM 583 CA PHE A 39 1.421 -2.747 -0.178 1.00 0.35 C ATOM 584 C PHE A 39 2.840 -2.875 -0.739 1.00 0.35 C ATOM 585 O PHE A 39 3.773 -3.224 -0.024 1.00 0.38 O ATOM 586 CB PHE A 39 0.806 -1.368 -0.471 1.00 0.37 C ATOM 587 CG PHE A 39 -0.705 -1.432 -0.490 1.00 0.36 C ATOM 588 CD1 PHE A 39 -1.344 -2.251 -1.436 1.00 1.49 C ATOM 589 CD2 PHE A 39 -1.468 -0.775 0.489 1.00 1.41 C ATOM 590 CE1 PHE A 39 -2.740 -2.400 -1.419 1.00 1.56 C ATOM 591 CE2 PHE A 39 -2.866 -0.928 0.509 1.00 1.36 C ATOM 592 CZ PHE A 39 -3.503 -1.702 -0.474 1.00 0.43 C ATOM 0 H PHE A 39 2.216 -2.643 1.749 1.00 0.38 H new ATOM 0 HA PHE A 39 0.835 -3.515 -0.682 1.00 0.35 H new ATOM 0 HB2 PHE A 39 1.132 -0.654 0.285 1.00 0.37 H new ATOM 0 HB3 PHE A 39 1.169 -1.003 -1.432 1.00 0.37 H new ATOM 0 HD1 PHE A 39 -0.758 -2.769 -2.181 1.00 1.49 H new ATOM 0 HD2 PHE A 39 -0.982 -0.153 1.226 1.00 1.41 H new ATOM 0 HE1 PHE A 39 -3.224 -3.051 -2.132 1.00 1.56 H new ATOM 0 HE2 PHE A 39 -3.450 -0.450 1.281 1.00 1.36 H new ATOM 0 HZ PHE A 39 -4.581 -1.759 -0.502 1.00 0.43 H new ATOM 602 N HIS A 40 3.018 -2.607 -2.038 1.00 0.34 N ATOM 603 CA HIS A 40 4.356 -2.453 -2.601 1.00 0.38 C ATOM 604 C HIS A 40 5.019 -1.258 -1.933 1.00 0.36 C ATOM 605 O HIS A 40 4.363 -0.246 -1.698 1.00 0.29 O ATOM 606 CB HIS A 40 4.327 -2.114 -4.094 1.00 0.44 C ATOM 607 CG HIS A 40 4.121 -3.190 -5.112 1.00 0.42 C ATOM 608 ND1 HIS A 40 3.116 -3.128 -6.078 1.00 0.40 N ATOM 609 CD2 HIS A 40 5.081 -4.081 -5.503 1.00 0.48 C ATOM 610 CE1 HIS A 40 3.483 -3.988 -7.038 1.00 0.49 C ATOM 611 NE2 HIS A 40 4.649 -4.577 -6.715 1.00 0.54 N ATOM 0 H HIS A 40 2.258 -2.494 -2.709 1.00 0.34 H new ATOM 0 HA HIS A 40 4.879 -3.396 -2.444 1.00 0.38 H new ATOM 0 HB2 HIS A 40 3.538 -1.376 -4.241 1.00 0.44 H new ATOM 0 HB3 HIS A 40 5.271 -1.623 -4.331 1.00 0.44 H new ATOM 0 HD2 HIS A 40 5.986 -4.341 -4.975 1.00 0.48 H new ATOM 0 HE1 HIS A 40 2.923 -4.181 -7.941 1.00 0.49 H new ATOM 0 HE2 HIS A 40 5.135 -5.277 -7.276 1.00 0.54 H new ATOM 619 N GLN A 41 6.337 -1.321 -1.756 1.00 0.44 N ATOM 620 CA GLN A 41 7.114 -0.196 -1.272 1.00 0.45 C ATOM 621 C GLN A 41 6.974 0.956 -2.242 1.00 0.44 C ATOM 622 O GLN A 41 6.479 2.019 -1.889 1.00 0.41 O ATOM 623 CB GLN A 41 8.582 -0.631 -1.082 1.00 0.55 C ATOM 624 CG GLN A 41 9.543 0.480 -0.636 1.00 0.59 C ATOM 625 CD GLN A 41 10.063 1.315 -1.808 1.00 1.25 C ATOM 626 OE1 GLN A 41 9.706 2.476 -1.956 1.00 2.43 O ATOM 627 NE2 GLN A 41 10.890 0.730 -2.661 1.00 1.93 N ATOM 0 H GLN A 41 6.891 -2.156 -1.946 1.00 0.44 H new ATOM 0 HA GLN A 41 6.746 0.141 -0.303 1.00 0.45 H new ATOM 0 HB2 GLN A 41 8.613 -1.433 -0.345 1.00 0.55 H new ATOM 0 HB3 GLN A 41 8.945 -1.047 -2.022 1.00 0.55 H new ATOM 0 HG2 GLN A 41 9.033 1.133 0.072 1.00 0.59 H new ATOM 0 HG3 GLN A 41 10.387 0.035 -0.109 1.00 0.59 H new ATOM 0 HE21 GLN A 41 11.172 -0.239 -2.515 1.00 1.93 H new ATOM 0 HE22 GLN A 41 11.245 1.249 -3.464 1.00 1.93 H new ATOM 636 N VAL A 42 7.352 0.717 -3.490 1.00 0.48 N ATOM 637 CA VAL A 42 7.346 1.774 -4.494 1.00 0.49 C ATOM 638 C VAL A 42 5.958 2.382 -4.666 1.00 0.42 C ATOM 639 O VAL A 42 5.820 3.542 -5.046 1.00 0.46 O ATOM 640 CB VAL A 42 7.910 1.214 -5.806 1.00 0.57 C ATOM 641 CG1 VAL A 42 6.856 0.625 -6.752 1.00 0.71 C ATOM 642 CG2 VAL A 42 8.730 2.280 -6.537 1.00 0.61 C ATOM 0 H VAL A 42 7.665 -0.192 -3.831 1.00 0.48 H new ATOM 0 HA VAL A 42 7.984 2.593 -4.163 1.00 0.49 H new ATOM 0 HB VAL A 42 8.548 0.381 -5.512 1.00 0.57 H new ATOM 0 HG11 VAL A 42 7.343 0.253 -7.653 1.00 0.71 H new ATOM 0 HG12 VAL A 42 6.338 -0.195 -6.255 1.00 0.71 H new ATOM 0 HG13 VAL A 42 6.136 1.398 -7.021 1.00 0.71 H new ATOM 0 HG21 VAL A 42 9.122 1.864 -7.465 1.00 0.61 H new ATOM 0 HG22 VAL A 42 8.095 3.136 -6.763 1.00 0.61 H new ATOM 0 HG23 VAL A 42 9.558 2.599 -5.904 1.00 0.61 H new ATOM 652 N CYS A 43 4.918 1.598 -4.384 1.00 0.33 N ATOM 653 CA CYS A 43 3.572 2.130 -4.528 1.00 0.28 C ATOM 654 C CYS A 43 3.247 3.042 -3.365 1.00 0.26 C ATOM 655 O CYS A 43 2.528 4.018 -3.544 1.00 0.29 O ATOM 656 CB CYS A 43 2.550 1.020 -4.468 1.00 0.24 C ATOM 657 SG CYS A 43 2.496 0.191 -6.087 1.00 0.25 S ATOM 0 H CYS A 43 4.979 0.630 -4.067 1.00 0.33 H new ATOM 0 HA CYS A 43 3.536 2.654 -5.483 1.00 0.28 H new ATOM 0 HB2 CYS A 43 2.812 0.307 -3.686 1.00 0.24 H new ATOM 0 HB3 CYS A 43 1.569 1.423 -4.216 1.00 0.24 H new ATOM 662 N VAL A 44 3.700 2.687 -2.163 1.00 0.24 N ATOM 663 CA VAL A 44 3.414 3.439 -0.961 1.00 0.25 C ATOM 664 C VAL A 44 3.855 4.884 -1.154 1.00 0.28 C ATOM 665 O VAL A 44 3.248 5.794 -0.595 1.00 0.28 O ATOM 666 CB VAL A 44 4.092 2.727 0.225 1.00 0.29 C ATOM 667 CG1 VAL A 44 5.367 3.388 0.737 1.00 0.33 C ATOM 668 CG2 VAL A 44 3.093 2.603 1.362 1.00 0.30 C ATOM 0 H VAL A 44 4.279 1.862 -2.004 1.00 0.24 H new ATOM 0 HA VAL A 44 2.346 3.477 -0.745 1.00 0.25 H new ATOM 0 HB VAL A 44 4.405 1.753 -0.151 1.00 0.29 H new ATOM 0 HG11 VAL A 44 5.766 2.811 1.571 1.00 0.33 H new ATOM 0 HG12 VAL A 44 6.105 3.425 -0.065 1.00 0.33 H new ATOM 0 HG13 VAL A 44 5.143 4.401 1.071 1.00 0.33 H new ATOM 0 HG21 VAL A 44 3.564 2.100 2.207 1.00 0.30 H new ATOM 0 HG22 VAL A 44 2.765 3.596 1.668 1.00 0.30 H new ATOM 0 HG23 VAL A 44 2.232 2.023 1.028 1.00 0.30 H new ATOM 678 N ASP A 45 4.898 5.071 -1.964 1.00 0.30 N ATOM 679 CA ASP A 45 5.444 6.382 -2.289 1.00 0.35 C ATOM 680 C ASP A 45 4.470 7.165 -3.166 1.00 0.34 C ATOM 681 O ASP A 45 3.819 8.090 -2.688 1.00 0.34 O ATOM 682 CB ASP A 45 6.802 6.239 -2.978 1.00 0.41 C ATOM 683 CG ASP A 45 7.288 7.615 -3.422 1.00 0.53 C ATOM 684 OD1 ASP A 45 7.632 8.407 -2.519 1.00 1.61 O ATOM 685 OD2 ASP A 45 7.244 7.864 -4.646 1.00 1.67 O ATOM 0 H ASP A 45 5.392 4.302 -2.417 1.00 0.30 H new ATOM 0 HA ASP A 45 5.588 6.937 -1.362 1.00 0.35 H new ATOM 0 HB2 ASP A 45 7.523 5.788 -2.296 1.00 0.41 H new ATOM 0 HB3 ASP A 45 6.718 5.575 -3.838 1.00 0.41 H new ATOM 690 N GLN A 46 4.324 6.787 -4.440 1.00 0.37 N ATOM 691 CA GLN A 46 3.452 7.498 -5.373 1.00 0.41 C ATOM 692 C GLN A 46 2.035 7.664 -4.812 1.00 0.37 C ATOM 693 O GLN A 46 1.343 8.633 -5.112 1.00 0.43 O ATOM 694 CB GLN A 46 3.445 6.803 -6.744 1.00 0.47 C ATOM 695 CG GLN A 46 3.040 5.324 -6.665 1.00 2.32 C ATOM 696 CD GLN A 46 2.953 4.670 -8.041 1.00 2.89 C ATOM 697 OE1 GLN A 46 3.661 5.036 -8.972 1.00 2.18 O ATOM 698 NE2 GLN A 46 2.078 3.686 -8.202 1.00 4.75 N ATOM 0 H GLN A 46 4.804 5.985 -4.849 1.00 0.37 H new ATOM 0 HA GLN A 46 3.854 8.502 -5.509 1.00 0.41 H new ATOM 0 HB2 GLN A 46 2.757 7.327 -7.407 1.00 0.47 H new ATOM 0 HB3 GLN A 46 4.437 6.879 -7.189 1.00 0.47 H new ATOM 0 HG2 GLN A 46 3.764 4.784 -6.054 1.00 2.32 H new ATOM 0 HG3 GLN A 46 2.075 5.241 -6.164 1.00 2.32 H new ATOM 0 HE21 GLN A 46 1.494 3.390 -7.420 1.00 4.75 H new ATOM 0 HE22 GLN A 46 1.989 3.226 -9.108 1.00 4.75 H new ATOM 707 N TRP A 47 1.598 6.720 -3.981 1.00 0.30 N ATOM 708 CA TRP A 47 0.326 6.793 -3.302 1.00 0.29 C ATOM 709 C TRP A 47 0.299 7.926 -2.291 1.00 0.30 C ATOM 710 O TRP A 47 -0.596 8.759 -2.329 1.00 0.33 O ATOM 711 CB TRP A 47 0.044 5.467 -2.614 1.00 0.27 C ATOM 712 CG TRP A 47 -1.322 5.408 -2.037 1.00 0.28 C ATOM 713 CD1 TRP A 47 -1.635 5.221 -0.738 1.00 0.34 C ATOM 714 CD2 TRP A 47 -2.580 5.578 -2.746 1.00 0.27 C ATOM 715 NE1 TRP A 47 -3.007 5.213 -0.607 1.00 0.35 N ATOM 716 CE2 TRP A 47 -3.634 5.353 -1.824 1.00 0.29 C ATOM 717 CE3 TRP A 47 -2.940 5.871 -4.077 1.00 0.30 C ATOM 718 CZ2 TRP A 47 -4.972 5.299 -2.224 1.00 0.31 C ATOM 719 CZ3 TRP A 47 -4.288 5.940 -4.464 1.00 0.36 C ATOM 720 CH2 TRP A 47 -5.308 5.616 -3.552 1.00 0.37 C ATOM 0 H TRP A 47 2.130 5.877 -3.764 1.00 0.30 H new ATOM 0 HA TRP A 47 -0.448 6.995 -4.042 1.00 0.29 H new ATOM 0 HB2 TRP A 47 0.168 4.655 -3.331 1.00 0.27 H new ATOM 0 HB3 TRP A 47 0.777 5.308 -1.823 1.00 0.27 H new ATOM 0 HD1 TRP A 47 -0.926 5.098 0.068 1.00 0.34 H new ATOM 0 HE1 TRP A 47 -3.497 5.115 0.282 1.00 0.35 H new ATOM 0 HE3 TRP A 47 -2.167 6.045 -4.811 1.00 0.30 H new ATOM 0 HZ2 TRP A 47 -5.741 5.016 -1.520 1.00 0.31 H new ATOM 0 HZ3 TRP A 47 -4.543 6.244 -5.469 1.00 0.36 H new ATOM 0 HH2 TRP A 47 -6.340 5.611 -3.869 1.00 0.37 H new ATOM 731 N LEU A 48 1.276 7.971 -1.390 1.00 0.31 N ATOM 732 CA LEU A 48 1.464 9.072 -0.467 1.00 0.36 C ATOM 733 C LEU A 48 1.428 10.425 -1.180 1.00 0.39 C ATOM 734 O LEU A 48 0.919 11.388 -0.610 1.00 0.46 O ATOM 735 CB LEU A 48 2.775 8.857 0.303 1.00 0.39 C ATOM 736 CG LEU A 48 2.555 8.199 1.670 1.00 0.47 C ATOM 737 CD1 LEU A 48 3.911 7.824 2.265 1.00 0.58 C ATOM 738 CD2 LEU A 48 1.839 9.133 2.652 1.00 0.56 C ATOM 0 H LEU A 48 1.967 7.229 -1.284 1.00 0.31 H new ATOM 0 HA LEU A 48 0.637 9.090 0.243 1.00 0.36 H new ATOM 0 HB2 LEU A 48 3.444 8.235 -0.292 1.00 0.39 H new ATOM 0 HB3 LEU A 48 3.272 9.817 0.442 1.00 0.39 H new ATOM 0 HG LEU A 48 1.930 7.320 1.516 1.00 0.47 H new ATOM 0 HD11 LEU A 48 3.764 7.355 3.238 1.00 0.58 H new ATOM 0 HD12 LEU A 48 4.420 7.127 1.599 1.00 0.58 H new ATOM 0 HD13 LEU A 48 4.518 8.722 2.383 1.00 0.58 H new ATOM 0 HD21 LEU A 48 1.705 8.624 3.606 1.00 0.56 H new ATOM 0 HD22 LEU A 48 2.437 10.032 2.801 1.00 0.56 H new ATOM 0 HD23 LEU A 48 0.865 9.408 2.248 1.00 0.56 H new ATOM 750 N ILE A 49 1.949 10.526 -2.408 1.00 0.38 N ATOM 751 CA ILE A 49 1.848 11.747 -3.186 1.00 0.41 C ATOM 752 C ILE A 49 0.385 12.082 -3.508 1.00 0.41 C ATOM 753 O ILE A 49 0.012 13.252 -3.449 1.00 0.54 O ATOM 754 CB ILE A 49 2.715 11.634 -4.446 1.00 0.46 C ATOM 755 CG1 ILE A 49 4.156 11.229 -4.128 1.00 0.57 C ATOM 756 CG2 ILE A 49 2.681 12.932 -5.254 1.00 0.51 C ATOM 757 CD1 ILE A 49 4.854 12.191 -3.180 1.00 0.69 C ATOM 0 H ILE A 49 2.445 9.769 -2.878 1.00 0.38 H new ATOM 0 HA ILE A 49 2.228 12.580 -2.594 1.00 0.41 H new ATOM 0 HB ILE A 49 2.286 10.837 -5.053 1.00 0.46 H new ATOM 0 HG12 ILE A 49 4.158 10.231 -3.689 1.00 0.57 H new ATOM 0 HG13 ILE A 49 4.723 11.169 -5.057 1.00 0.57 H new ATOM 0 HG21 ILE A 49 3.304 12.824 -6.142 1.00 0.51 H new ATOM 0 HG22 ILE A 49 1.655 13.147 -5.554 1.00 0.51 H new ATOM 0 HG23 ILE A 49 3.059 13.751 -4.643 1.00 0.51 H new ATOM 0 HD11 ILE A 49 5.871 11.846 -2.996 1.00 0.69 H new ATOM 0 HD12 ILE A 49 4.883 13.185 -3.626 1.00 0.69 H new ATOM 0 HD13 ILE A 49 4.309 12.233 -2.237 1.00 0.69 H new ATOM 769 N THR A 50 -0.445 11.103 -3.886 1.00 0.40 N ATOM 770 CA THR A 50 -1.833 11.366 -4.238 1.00 0.50 C ATOM 771 C THR A 50 -2.718 11.285 -2.993 1.00 0.39 C ATOM 772 O THR A 50 -3.161 12.301 -2.458 1.00 0.46 O ATOM 773 CB THR A 50 -2.279 10.392 -5.339 1.00 0.67 C ATOM 774 OG1 THR A 50 -1.990 9.055 -4.988 1.00 1.76 O ATOM 775 CG2 THR A 50 -1.552 10.695 -6.650 1.00 1.75 C ATOM 0 H THR A 50 -0.173 10.122 -3.954 1.00 0.40 H new ATOM 0 HA THR A 50 -1.931 12.377 -4.633 1.00 0.50 H new ATOM 0 HB THR A 50 -3.355 10.519 -5.459 1.00 0.67 H new ATOM 0 HG1 THR A 50 -2.286 8.457 -5.706 1.00 1.76 H new ATOM 0 HG21 THR A 50 -1.881 9.995 -7.418 1.00 1.75 H new ATOM 0 HG22 THR A 50 -1.780 11.713 -6.965 1.00 1.75 H new ATOM 0 HG23 THR A 50 -0.477 10.593 -6.502 1.00 1.75 H new ATOM 783 N ASN A 51 -3.005 10.073 -2.525 1.00 0.34 N ATOM 784 CA ASN A 51 -3.879 9.835 -1.396 1.00 0.33 C ATOM 785 C ASN A 51 -3.033 9.591 -0.154 1.00 0.53 C ATOM 786 O ASN A 51 -2.551 8.485 0.076 1.00 1.15 O ATOM 787 CB ASN A 51 -4.769 8.623 -1.682 1.00 0.73 C ATOM 788 CG ASN A 51 -6.053 9.014 -2.397 1.00 2.00 C ATOM 789 OD1 ASN A 51 -6.048 9.796 -3.336 1.00 3.21 O ATOM 790 ND2 ASN A 51 -7.191 8.498 -1.950 1.00 2.54 N ATOM 0 H ASN A 51 -2.626 9.218 -2.932 1.00 0.34 H new ATOM 0 HA ASN A 51 -4.516 10.703 -1.229 1.00 0.33 H new ATOM 0 HB2 ASN A 51 -4.219 7.905 -2.291 1.00 0.73 H new ATOM 0 HB3 ASN A 51 -5.014 8.124 -0.744 1.00 0.73 H new ATOM 0 HD21 ASN A 51 -8.075 8.753 -2.391 1.00 2.54 H new ATOM 0 HD22 ASN A 51 -7.182 7.846 -1.165 1.00 2.54 H new ATOM 797 N LYS A 52 -2.947 10.589 0.727 1.00 0.62 N ATOM 798 CA LYS A 52 -2.293 10.456 2.029 1.00 0.80 C ATOM 799 C LYS A 52 -3.177 9.701 3.037 1.00 0.67 C ATOM 800 O LYS A 52 -3.179 10.020 4.223 1.00 0.61 O ATOM 801 CB LYS A 52 -1.953 11.860 2.555 1.00 1.10 C ATOM 802 CG LYS A 52 -0.956 12.586 1.639 1.00 2.09 C ATOM 803 CD LYS A 52 -0.882 14.080 1.963 1.00 2.28 C ATOM 804 CE LYS A 52 -0.400 14.312 3.399 1.00 2.90 C ATOM 805 NZ LYS A 52 -0.384 15.749 3.743 1.00 3.86 N ATOM 0 H LYS A 52 -3.332 11.518 0.556 1.00 0.62 H new ATOM 0 HA LYS A 52 -1.381 9.871 1.907 1.00 0.80 H new ATOM 0 HB2 LYS A 52 -2.867 12.449 2.637 1.00 1.10 H new ATOM 0 HB3 LYS A 52 -1.534 11.781 3.558 1.00 1.10 H new ATOM 0 HG2 LYS A 52 0.032 12.139 1.749 1.00 2.09 H new ATOM 0 HG3 LYS A 52 -1.252 12.452 0.599 1.00 2.09 H new ATOM 0 HD2 LYS A 52 -0.205 14.573 1.265 1.00 2.28 H new ATOM 0 HD3 LYS A 52 -1.864 14.533 1.829 1.00 2.28 H new ATOM 0 HE2 LYS A 52 -1.051 13.779 4.092 1.00 2.90 H new ATOM 0 HE3 LYS A 52 0.601 13.898 3.519 1.00 2.90 H new ATOM 0 HZ1 LYS A 52 -0.053 15.868 4.722 1.00 3.86 H new ATOM 0 HZ2 LYS A 52 0.256 16.254 3.097 1.00 3.86 H new ATOM 0 HZ3 LYS A 52 -1.344 16.138 3.653 1.00 3.86 H new ATOM 819 N LYS A 53 -3.941 8.704 2.591 1.00 0.67 N ATOM 820 CA LYS A 53 -4.868 7.948 3.409 1.00 0.58 C ATOM 821 C LYS A 53 -4.731 6.491 3.043 1.00 0.55 C ATOM 822 O LYS A 53 -4.178 6.136 1.999 1.00 0.70 O ATOM 823 CB LYS A 53 -6.310 8.400 3.161 1.00 0.65 C ATOM 824 CG LYS A 53 -6.479 9.866 3.556 1.00 0.73 C ATOM 825 CD LYS A 53 -7.951 10.268 3.570 1.00 0.99 C ATOM 826 CE LYS A 53 -8.374 10.605 2.144 1.00 1.87 C ATOM 827 NZ LYS A 53 -8.554 12.065 1.984 1.00 2.51 N ATOM 0 H LYS A 53 -3.926 8.396 1.619 1.00 0.67 H new ATOM 0 HA LYS A 53 -4.639 8.110 4.462 1.00 0.58 H new ATOM 0 HB2 LYS A 53 -6.565 8.268 2.109 1.00 0.65 H new ATOM 0 HB3 LYS A 53 -6.997 7.779 3.736 1.00 0.65 H new ATOM 0 HG2 LYS A 53 -6.045 10.032 4.542 1.00 0.73 H new ATOM 0 HG3 LYS A 53 -5.933 10.499 2.856 1.00 0.73 H new ATOM 0 HD2 LYS A 53 -8.562 9.456 3.964 1.00 0.99 H new ATOM 0 HD3 LYS A 53 -8.103 11.127 4.223 1.00 0.99 H new ATOM 0 HE2 LYS A 53 -7.621 10.247 1.442 1.00 1.87 H new ATOM 0 HE3 LYS A 53 -9.304 10.090 1.904 1.00 1.87 H new ATOM 0 HZ1 LYS A 53 -8.842 12.274 1.007 1.00 2.51 H new ATOM 0 HZ2 LYS A 53 -9.289 12.398 2.640 1.00 2.51 H new ATOM 0 HZ3 LYS A 53 -7.658 12.550 2.192 1.00 2.51 H new ATOM 841 N CYS A 54 -5.266 5.643 3.908 1.00 0.40 N ATOM 842 CA CYS A 54 -5.164 4.219 3.672 1.00 0.33 C ATOM 843 C CYS A 54 -6.086 3.901 2.487 1.00 0.35 C ATOM 844 O CYS A 54 -7.255 4.275 2.523 1.00 0.39 O ATOM 845 CB CYS A 54 -5.621 3.504 4.934 1.00 0.36 C ATOM 846 SG CYS A 54 -5.349 1.715 4.766 1.00 0.56 S ATOM 0 H CYS A 54 -5.762 5.910 4.758 1.00 0.40 H new ATOM 0 HA CYS A 54 -4.148 3.898 3.441 1.00 0.33 H new ATOM 0 HB2 CYS A 54 -5.073 3.884 5.796 1.00 0.36 H new ATOM 0 HB3 CYS A 54 -6.677 3.705 5.114 1.00 0.36 H new ATOM 851 N PRO A 55 -5.618 3.223 1.432 1.00 0.37 N ATOM 852 CA PRO A 55 -6.487 2.846 0.328 1.00 0.42 C ATOM 853 C PRO A 55 -7.573 1.857 0.757 1.00 0.46 C ATOM 854 O PRO A 55 -8.617 1.772 0.115 1.00 0.61 O ATOM 855 CB PRO A 55 -5.590 2.204 -0.727 1.00 0.43 C ATOM 856 CG PRO A 55 -4.173 2.247 -0.185 1.00 0.79 C ATOM 857 CD PRO A 55 -4.275 2.704 1.266 1.00 0.41 C ATOM 0 HA PRO A 55 -7.005 3.727 -0.052 1.00 0.42 H new ATOM 0 HB2 PRO A 55 -5.898 1.177 -0.923 1.00 0.43 H new ATOM 0 HB3 PRO A 55 -5.659 2.743 -1.672 1.00 0.43 H new ATOM 0 HG2 PRO A 55 -3.703 1.265 -0.250 1.00 0.79 H new ATOM 0 HG3 PRO A 55 -3.557 2.934 -0.765 1.00 0.79 H new ATOM 0 HD2 PRO A 55 -4.091 1.875 1.949 1.00 0.41 H new ATOM 0 HD3 PRO A 55 -3.531 3.470 1.486 1.00 0.41 H new ATOM 865 N ILE A 56 -7.316 1.071 1.807 1.00 0.41 N ATOM 866 CA ILE A 56 -8.271 0.086 2.289 1.00 0.46 C ATOM 867 C ILE A 56 -9.185 0.769 3.297 1.00 0.52 C ATOM 868 O ILE A 56 -10.372 0.941 3.036 1.00 0.66 O ATOM 869 CB ILE A 56 -7.535 -1.143 2.839 1.00 0.44 C ATOM 870 CG1 ILE A 56 -6.951 -1.886 1.625 1.00 0.49 C ATOM 871 CG2 ILE A 56 -8.487 -2.071 3.610 1.00 0.48 C ATOM 872 CD1 ILE A 56 -5.841 -2.846 2.028 1.00 1.01 C ATOM 0 H ILE A 56 -6.446 1.104 2.338 1.00 0.41 H new ATOM 0 HA ILE A 56 -8.898 -0.294 1.483 1.00 0.46 H new ATOM 0 HB ILE A 56 -6.757 -0.834 3.537 1.00 0.44 H new ATOM 0 HG12 ILE A 56 -7.744 -2.439 1.122 1.00 0.49 H new ATOM 0 HG13 ILE A 56 -6.563 -1.162 0.909 1.00 0.49 H new ATOM 0 HG21 ILE A 56 -7.932 -2.931 3.985 1.00 0.48 H new ATOM 0 HG22 ILE A 56 -8.925 -1.528 4.447 1.00 0.48 H new ATOM 0 HG23 ILE A 56 -9.280 -2.413 2.945 1.00 0.48 H new ATOM 0 HD11 ILE A 56 -5.456 -3.350 1.141 1.00 1.01 H new ATOM 0 HD12 ILE A 56 -5.035 -2.290 2.508 1.00 1.01 H new ATOM 0 HD13 ILE A 56 -6.235 -3.586 2.724 1.00 1.01 H new ATOM 884 N CYS A 57 -8.639 1.160 4.451 1.00 0.50 N ATOM 885 CA CYS A 57 -9.440 1.635 5.568 1.00 0.57 C ATOM 886 C CYS A 57 -9.852 3.112 5.402 1.00 0.48 C ATOM 887 O CYS A 57 -10.699 3.589 6.148 1.00 0.51 O ATOM 888 CB CYS A 57 -8.703 1.324 6.886 1.00 0.66 C ATOM 889 SG CYS A 57 -6.976 1.898 6.969 1.00 0.60 S ATOM 0 H CYS A 57 -7.635 1.154 4.631 1.00 0.50 H new ATOM 0 HA CYS A 57 -10.389 1.100 5.594 1.00 0.57 H new ATOM 0 HB2 CYS A 57 -9.258 1.775 7.708 1.00 0.66 H new ATOM 0 HB3 CYS A 57 -8.718 0.246 7.045 1.00 0.66 H new ATOM 894 N ARG A 58 -9.336 3.824 4.389 1.00 0.45 N ATOM 895 CA ARG A 58 -9.837 5.123 3.911 1.00 0.49 C ATOM 896 C ARG A 58 -9.646 6.270 4.895 1.00 0.55 C ATOM 897 O ARG A 58 -10.310 7.295 4.765 1.00 0.72 O ATOM 898 CB ARG A 58 -11.301 4.981 3.423 1.00 0.59 C ATOM 899 CG ARG A 58 -11.408 4.952 1.895 1.00 0.91 C ATOM 900 CD ARG A 58 -10.404 3.958 1.305 1.00 3.30 C ATOM 901 NE ARG A 58 -10.856 3.353 0.045 1.00 4.48 N ATOM 902 CZ ARG A 58 -11.042 3.960 -1.131 1.00 4.82 C ATOM 903 NH1 ARG A 58 -10.860 5.276 -1.246 1.00 4.48 N ATOM 904 NH2 ARG A 58 -11.408 3.246 -2.195 1.00 5.99 N ATOM 0 H ARG A 58 -8.527 3.499 3.859 1.00 0.45 H new ATOM 0 HA ARG A 58 -9.217 5.409 3.062 1.00 0.49 H new ATOM 0 HB2 ARG A 58 -11.730 4.066 3.832 1.00 0.59 H new ATOM 0 HB3 ARG A 58 -11.892 5.811 3.810 1.00 0.59 H new ATOM 0 HG2 ARG A 58 -12.420 4.673 1.601 1.00 0.91 H new ATOM 0 HG3 ARG A 58 -11.222 5.948 1.493 1.00 0.91 H new ATOM 0 HD2 ARG A 58 -9.456 4.468 1.135 1.00 3.30 H new ATOM 0 HD3 ARG A 58 -10.216 3.168 2.032 1.00 3.30 H new ATOM 0 HE ARG A 58 -11.051 2.352 0.071 1.00 4.48 H new ATOM 0 HH11 ARG A 58 -10.577 5.825 -0.434 1.00 4.48 H new ATOM 0 HH12 ARG A 58 -11.003 5.734 -2.146 1.00 4.48 H new ATOM 0 HH21 ARG A 58 -11.545 2.239 -2.111 1.00 5.99 H new ATOM 0 HH22 ARG A 58 -11.551 3.707 -3.094 1.00 5.99 H new ATOM 918 N VAL A 59 -8.660 6.178 5.786 1.00 0.47 N ATOM 919 CA VAL A 59 -8.386 7.256 6.725 1.00 0.53 C ATOM 920 C VAL A 59 -6.951 7.706 6.625 1.00 0.49 C ATOM 921 O VAL A 59 -6.066 6.929 6.288 1.00 0.40 O ATOM 922 CB VAL A 59 -8.688 6.845 8.163 1.00 0.58 C ATOM 923 CG1 VAL A 59 -9.979 6.046 8.213 1.00 0.64 C ATOM 924 CG2 VAL A 59 -7.567 6.044 8.822 1.00 0.53 C ATOM 0 H VAL A 59 -8.042 5.371 5.875 1.00 0.47 H new ATOM 0 HA VAL A 59 -9.044 8.083 6.456 1.00 0.53 H new ATOM 0 HB VAL A 59 -8.785 7.771 8.730 1.00 0.58 H new ATOM 0 HG11 VAL A 59 -10.188 5.756 9.243 1.00 0.64 H new ATOM 0 HG12 VAL A 59 -10.799 6.656 7.834 1.00 0.64 H new ATOM 0 HG13 VAL A 59 -9.878 5.152 7.598 1.00 0.64 H new ATOM 0 HG21 VAL A 59 -7.854 5.788 9.842 1.00 0.53 H new ATOM 0 HG22 VAL A 59 -7.390 5.130 8.254 1.00 0.53 H new ATOM 0 HG23 VAL A 59 -6.655 6.641 8.841 1.00 0.53 H new ATOM 934 N ASP A 60 -6.697 8.956 6.965 1.00 0.55 N ATOM 935 CA ASP A 60 -5.358 9.461 7.017 1.00 0.48 C ATOM 936 C ASP A 60 -4.696 8.763 8.183 1.00 0.40 C ATOM 937 O ASP A 60 -5.199 8.801 9.302 1.00 0.54 O ATOM 938 CB ASP A 60 -5.338 10.986 7.213 1.00 0.64 C ATOM 939 CG ASP A 60 -6.379 11.744 6.379 1.00 0.77 C ATOM 940 OD1 ASP A 60 -7.583 11.580 6.684 1.00 1.34 O ATOM 941 OD2 ASP A 60 -5.984 12.420 5.400 1.00 2.04 O ATOM 0 H ASP A 60 -7.415 9.638 7.210 1.00 0.55 H new ATOM 0 HA ASP A 60 -4.833 9.269 6.081 1.00 0.48 H new ATOM 0 HB2 ASP A 60 -5.504 11.207 8.267 1.00 0.64 H new ATOM 0 HB3 ASP A 60 -4.346 11.360 6.961 1.00 0.64 H new ATOM 946 N ILE A 61 -3.583 8.091 7.909 1.00 0.33 N ATOM 947 CA ILE A 61 -2.861 7.343 8.910 1.00 0.48 C ATOM 948 C ILE A 61 -2.478 8.237 10.095 1.00 0.58 C ATOM 949 O ILE A 61 -2.393 7.756 11.221 1.00 0.79 O ATOM 950 CB ILE A 61 -1.654 6.690 8.245 1.00 0.58 C ATOM 951 CG1 ILE A 61 -2.060 5.875 7.001 1.00 0.70 C ATOM 952 CG2 ILE A 61 -1.006 5.740 9.236 1.00 0.82 C ATOM 953 CD1 ILE A 61 -1.896 6.645 5.692 1.00 0.73 C ATOM 0 H ILE A 61 -3.162 8.055 6.981 1.00 0.33 H new ATOM 0 HA ILE A 61 -3.492 6.558 9.326 1.00 0.48 H new ATOM 0 HB ILE A 61 -0.970 7.481 7.938 1.00 0.58 H new ATOM 0 HG12 ILE A 61 -1.458 4.967 6.958 1.00 0.70 H new ATOM 0 HG13 ILE A 61 -3.100 5.564 7.103 1.00 0.70 H new ATOM 0 HG21 ILE A 61 -0.141 5.266 8.773 1.00 0.82 H new ATOM 0 HG22 ILE A 61 -0.687 6.296 10.117 1.00 0.82 H new ATOM 0 HG23 ILE A 61 -1.725 4.975 9.530 1.00 0.82 H new ATOM 0 HD11 ILE A 61 -2.199 6.013 4.858 1.00 0.73 H new ATOM 0 HD12 ILE A 61 -2.519 7.539 5.715 1.00 0.73 H new ATOM 0 HD13 ILE A 61 -0.852 6.933 5.568 1.00 0.73 H new ATOM 965 N GLU A 62 -2.259 9.529 9.827 1.00 0.58 N ATOM 966 CA GLU A 62 -2.000 10.546 10.846 1.00 0.78 C ATOM 967 C GLU A 62 -0.738 10.168 11.625 1.00 1.71 C ATOM 968 O GLU A 62 -0.731 10.022 12.846 1.00 3.03 O ATOM 969 CB GLU A 62 -3.260 10.759 11.710 1.00 2.24 C ATOM 970 CG GLU A 62 -3.460 12.221 12.129 1.00 3.25 C ATOM 971 CD GLU A 62 -2.291 12.796 12.928 1.00 3.87 C ATOM 972 OE1 GLU A 62 -1.271 13.110 12.273 1.00 4.71 O ATOM 973 OE2 GLU A 62 -2.455 12.965 14.157 1.00 4.24 O ATOM 0 H GLU A 62 -2.257 9.902 8.877 1.00 0.58 H new ATOM 0 HA GLU A 62 -1.795 11.517 10.396 1.00 0.78 H new ATOM 0 HB2 GLU A 62 -4.136 10.423 11.155 1.00 2.24 H new ATOM 0 HB3 GLU A 62 -3.191 10.137 12.603 1.00 2.24 H new ATOM 0 HG2 GLU A 62 -3.612 12.828 11.237 1.00 3.25 H new ATOM 0 HG3 GLU A 62 -4.369 12.298 12.726 1.00 3.25 H new ATOM 980 N ALA A 63 0.347 9.958 10.877 1.00 2.76 N ATOM 981 CA ALA A 63 1.635 9.600 11.447 1.00 4.33 C ATOM 982 C ALA A 63 2.766 10.009 10.503 1.00 4.47 C ATOM 983 O ALA A 63 2.562 10.093 9.292 1.00 4.26 O ATOM 984 CB ALA A 63 1.675 8.091 11.708 1.00 5.90 C ATOM 0 H ALA A 63 0.351 10.033 9.860 1.00 2.76 H new ATOM 0 HA ALA A 63 1.770 10.129 12.390 1.00 4.33 H new ATOM 0 HB1 ALA A 63 2.641 7.821 12.136 1.00 5.90 H new ATOM 0 HB2 ALA A 63 0.881 7.821 12.405 1.00 5.90 H new ATOM 0 HB3 ALA A 63 1.531 7.556 10.770 1.00 5.90 H new ATOM 990 N GLN A 64 3.957 10.212 11.081 1.00 5.32 N ATOM 991 CA GLN A 64 5.181 10.692 10.445 1.00 5.71 C ATOM 992 C GLN A 64 5.049 12.083 9.809 1.00 4.64 C ATOM 993 O GLN A 64 3.963 12.628 9.641 1.00 4.39 O ATOM 994 CB GLN A 64 5.750 9.646 9.469 1.00 7.24 C ATOM 995 CG GLN A 64 6.280 8.408 10.209 1.00 8.86 C ATOM 996 CD GLN A 64 5.480 7.146 9.901 1.00 10.02 C ATOM 997 OE1 GLN A 64 4.340 7.000 10.316 1.00 9.95 O ATOM 998 NE2 GLN A 64 6.076 6.197 9.187 1.00 11.62 N ATOM 0 H GLN A 64 4.095 10.031 12.075 1.00 5.32 H new ATOM 0 HA GLN A 64 5.907 10.825 11.247 1.00 5.71 H new ATOM 0 HB2 GLN A 64 4.974 9.345 8.765 1.00 7.24 H new ATOM 0 HB3 GLN A 64 6.554 10.093 8.885 1.00 7.24 H new ATOM 0 HG2 GLN A 64 7.323 8.247 9.937 1.00 8.86 H new ATOM 0 HG3 GLN A 64 6.256 8.595 11.283 1.00 8.86 H new ATOM 0 HE21 GLN A 64 7.028 6.336 8.848 1.00 11.62 H new ATOM 0 HE22 GLN A 64 5.581 5.330 8.977 1.00 11.62 H new ATOM 1007 N LEU A 65 6.199 12.689 9.499 1.00 4.81 N ATOM 1008 CA LEU A 65 6.289 14.014 8.900 1.00 4.42 C ATOM 1009 C LEU A 65 7.588 14.133 8.092 1.00 5.01 C ATOM 1010 O LEU A 65 8.497 14.860 8.482 1.00 5.70 O ATOM 1011 CB LEU A 65 6.200 15.102 9.988 1.00 4.67 C ATOM 1012 CG LEU A 65 7.197 14.917 11.151 1.00 6.05 C ATOM 1013 CD1 LEU A 65 7.893 16.240 11.484 1.00 6.97 C ATOM 1014 CD2 LEU A 65 6.476 14.418 12.407 1.00 6.90 C ATOM 0 H LEU A 65 7.109 12.259 9.663 1.00 4.81 H new ATOM 0 HA LEU A 65 5.450 14.159 8.219 1.00 4.42 H new ATOM 0 HB2 LEU A 65 6.372 16.075 9.528 1.00 4.67 H new ATOM 0 HB3 LEU A 65 5.187 15.115 10.391 1.00 4.67 H new ATOM 0 HG LEU A 65 7.937 14.182 10.834 1.00 6.05 H new ATOM 0 HD11 LEU A 65 8.591 16.087 12.307 1.00 6.97 H new ATOM 0 HD12 LEU A 65 8.436 16.596 10.608 1.00 6.97 H new ATOM 0 HD13 LEU A 65 7.148 16.980 11.774 1.00 6.97 H new ATOM 0 HD21 LEU A 65 7.197 14.294 13.215 1.00 6.90 H new ATOM 0 HD22 LEU A 65 5.719 15.143 12.704 1.00 6.90 H new ATOM 0 HD23 LEU A 65 5.999 13.461 12.197 1.00 6.90 H new ATOM 1026 N PRO A 66 7.714 13.401 6.978 1.00 5.39 N ATOM 1027 CA PRO A 66 8.904 13.447 6.146 1.00 6.25 C ATOM 1028 C PRO A 66 8.938 14.736 5.330 1.00 5.89 C ATOM 1029 O PRO A 66 7.906 15.355 5.078 1.00 5.70 O ATOM 1030 CB PRO A 66 8.795 12.216 5.244 1.00 7.18 C ATOM 1031 CG PRO A 66 7.285 12.072 5.060 1.00 6.74 C ATOM 1032 CD PRO A 66 6.729 12.489 6.423 1.00 5.72 C ATOM 0 HA PRO A 66 9.824 13.438 6.731 1.00 6.25 H new ATOM 0 HB2 PRO A 66 9.307 12.363 4.293 1.00 7.18 H new ATOM 0 HB3 PRO A 66 9.233 11.333 5.709 1.00 7.18 H new ATOM 0 HG2 PRO A 66 6.913 12.712 4.260 1.00 6.74 H new ATOM 0 HG3 PRO A 66 7.005 11.050 4.806 1.00 6.74 H new ATOM 0 HD2 PRO A 66 5.758 12.974 6.320 1.00 5.72 H new ATOM 0 HD3 PRO A 66 6.586 11.624 7.070 1.00 5.72 H new ATOM 1040 N SER A 67 10.136 15.140 4.906 1.00 6.44 N ATOM 1041 CA SER A 67 10.314 16.362 4.150 1.00 6.62 C ATOM 1042 C SER A 67 11.623 16.236 3.373 1.00 7.08 C ATOM 1043 O SER A 67 12.696 16.347 3.960 1.00 7.74 O ATOM 1044 CB SER A 67 10.335 17.529 5.143 1.00 7.12 C ATOM 1045 OG SER A 67 10.028 18.748 4.498 1.00 7.78 O ATOM 0 H SER A 67 11.000 14.627 5.080 1.00 6.44 H new ATOM 0 HA SER A 67 9.508 16.540 3.437 1.00 6.62 H new ATOM 0 HB2 SER A 67 9.616 17.345 5.941 1.00 7.12 H new ATOM 0 HB3 SER A 67 11.318 17.597 5.609 1.00 7.12 H new ATOM 0 HG SER A 67 10.046 19.478 5.152 1.00 7.78 H new ATOM 1051 N GLU A 68 11.540 15.936 2.076 1.00 7.17 N ATOM 1052 CA GLU A 68 12.690 15.805 1.190 1.00 7.73 C ATOM 1053 C GLU A 68 12.155 15.973 -0.239 1.00 7.81 C ATOM 1054 O GLU A 68 11.189 16.716 -0.431 1.00 7.96 O ATOM 1055 CB GLU A 68 13.407 14.467 1.453 1.00 8.39 C ATOM 1056 CG GLU A 68 14.841 14.455 0.893 1.00 9.41 C ATOM 1057 CD GLU A 68 15.832 13.772 1.841 1.00 10.22 C ATOM 1058 OE1 GLU A 68 15.537 12.633 2.266 1.00 10.43 O ATOM 1059 OE2 GLU A 68 16.877 14.400 2.126 1.00 10.96 O ATOM 0 H GLU A 68 10.650 15.774 1.605 1.00 7.17 H new ATOM 0 HA GLU A 68 13.453 16.564 1.363 1.00 7.73 H new ATOM 0 HB2 GLU A 68 13.436 14.277 2.526 1.00 8.39 H new ATOM 0 HB3 GLU A 68 12.836 13.656 1.001 1.00 8.39 H new ATOM 0 HG2 GLU A 68 14.849 13.941 -0.068 1.00 9.41 H new ATOM 0 HG3 GLU A 68 15.165 15.479 0.709 1.00 9.41 H new ATOM 1066 N SER A 69 12.734 15.328 -1.252 1.00 8.11 N ATOM 1067 CA SER A 69 12.238 15.330 -2.622 1.00 8.49 C ATOM 1068 C SER A 69 12.637 14.021 -3.286 1.00 8.76 C ATOM 1069 O SER A 69 13.518 13.345 -2.709 1.00 9.02 O ATOM 1070 CB SER A 69 12.843 16.491 -3.409 1.00 9.08 C ATOM 1071 OG SER A 69 12.501 17.727 -2.813 1.00 9.19 O ATOM 1072 OXT SER A 69 12.075 13.745 -4.365 1.00 9.12 O ATOM 0 H SER A 69 13.584 14.776 -1.136 1.00 8.11 H new ATOM 0 HA SER A 69 11.154 15.441 -2.610 1.00 8.49 H new ATOM 0 HB2 SER A 69 13.927 16.387 -3.446 1.00 9.08 H new ATOM 0 HB3 SER A 69 12.485 16.466 -4.438 1.00 9.08 H new ATOM 0 HG SER A 69 12.898 18.460 -3.329 1.00 9.19 H new TER 1078 SER A 69 HETATM 1079 ZN ZN A 70 1.568 -1.685 -6.186 1.00 0.32 ZN HETATM 1080 ZN ZN A 71 -5.151 0.756 6.657 1.00 0.46 ZN