USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=17 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 111:sc= 1.41 USER MOD Set 1.2: A 93 HIS : no HE2:sc= -2.3 K(o=-0.88,f=-2.6!) USER MOD Set 2.1: A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 82 SER OG : rot 180:sc= 0.00821 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0897 (180deg=0) USER MOD Single : A 3 MET CE :methyl -164:sc= -0.0913 (180deg=-0.46) USER MOD Single : A 11 SER OG : rot 180:sc= -0.0351 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 20 SER OG : rot -109:sc= -0.493 USER MOD Single : A 22 LYS NZ :NH3+ -179:sc= 0.618 (180deg=0.612) USER MOD Single : A 23 LYS NZ :NH3+ 177:sc= 1.01 (180deg=0.94) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.39) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 171:sc= -0.0125 (180deg=-0.114) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.653 X(o=-0.65,f=-0.99!) USER MOD Single : A 51 GLN : amide:sc= 0.472 X(o=0.47,f=-0.011) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 80:sc= -0.199 USER MOD Single : A 68 SER OG : rot 97:sc= 0.487 USER MOD Single : A 69 SER OG : rot 51:sc= 1.12 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.495 X(o=-0.5,f=-0.2) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 168:sc= -0.0435 (180deg=-0.31) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0243 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.975 -12.562 16.192 1.00 6.55 N ATOM 2 CA GLY A 1 9.239 -11.935 15.742 1.00 6.13 C ATOM 3 C GLY A 1 9.090 -10.443 15.541 1.00 5.56 C ATOM 4 O GLY A 1 8.029 -9.880 15.803 1.00 5.62 O ATOM 0 H1 GLY A 1 8.103 -12.956 17.146 1.00 6.55 H new ATOM 0 H2 GLY A 1 7.220 -11.847 16.212 1.00 6.55 H new ATOM 0 H3 GLY A 1 7.712 -13.324 15.535 1.00 6.55 H new ATOM 0 HA2 GLY A 1 10.020 -12.126 16.478 1.00 6.13 H new ATOM 0 HA3 GLY A 1 9.561 -12.397 14.808 1.00 6.13 H new ATOM 10 N ALA A 2 10.150 -9.802 15.073 1.00 5.41 N ATOM 11 CA ALA A 2 10.133 -8.366 14.841 1.00 5.31 C ATOM 12 C ALA A 2 10.363 -8.066 13.364 1.00 4.43 C ATOM 13 O ALA A 2 11.339 -7.415 12.991 1.00 4.77 O ATOM 14 CB ALA A 2 11.181 -7.676 15.703 1.00 6.37 C ATOM 0 H ALA A 2 11.035 -10.255 14.846 1.00 5.41 H new ATOM 0 HA ALA A 2 9.154 -7.978 15.121 1.00 5.31 H new ATOM 0 HB1 ALA A 2 11.155 -6.602 15.517 1.00 6.37 H new ATOM 0 HB2 ALA A 2 10.970 -7.868 16.755 1.00 6.37 H new ATOM 0 HB3 ALA A 2 12.169 -8.063 15.454 1.00 6.37 H new ATOM 20 N MET A 3 9.461 -8.554 12.525 1.00 3.71 N ATOM 21 CA MET A 3 9.573 -8.357 11.088 1.00 3.29 C ATOM 22 C MET A 3 8.919 -7.051 10.677 1.00 2.27 C ATOM 23 O MET A 3 7.730 -7.012 10.359 1.00 2.62 O ATOM 24 CB MET A 3 8.935 -9.518 10.330 1.00 3.97 C ATOM 25 CG MET A 3 9.673 -10.831 10.496 1.00 4.59 C ATOM 26 SD MET A 3 11.379 -10.745 9.917 1.00 5.49 S ATOM 27 CE MET A 3 11.130 -10.440 8.168 1.00 6.18 C ATOM 0 H MET A 3 8.643 -9.090 12.815 1.00 3.71 H new ATOM 0 HA MET A 3 10.633 -8.317 10.836 1.00 3.29 H new ATOM 0 HB2 MET A 3 7.908 -9.643 10.672 1.00 3.97 H new ATOM 0 HB3 MET A 3 8.890 -9.268 9.270 1.00 3.97 H new ATOM 0 HG2 MET A 3 9.664 -11.118 11.547 1.00 4.59 H new ATOM 0 HG3 MET A 3 9.146 -11.612 9.948 1.00 4.59 H new ATOM 0 HE1 MET A 3 12.055 -10.642 7.628 1.00 6.18 H new ATOM 0 HE2 MET A 3 10.342 -11.093 7.793 1.00 6.18 H new ATOM 0 HE3 MET A 3 10.842 -9.400 8.018 1.00 6.18 H new ATOM 37 N GLU A 4 9.693 -5.980 10.694 1.00 1.66 N ATOM 38 CA GLU A 4 9.186 -4.680 10.293 1.00 1.27 C ATOM 39 C GLU A 4 9.477 -4.447 8.814 1.00 1.17 C ATOM 40 O GLU A 4 8.949 -3.526 8.200 1.00 1.64 O ATOM 41 CB GLU A 4 9.815 -3.571 11.138 1.00 2.01 C ATOM 42 CG GLU A 4 9.032 -2.270 11.111 1.00 2.51 C ATOM 43 CD GLU A 4 7.738 -2.342 11.903 1.00 3.17 C ATOM 44 OE1 GLU A 4 7.611 -1.640 12.927 1.00 3.76 O ATOM 45 OE2 GLU A 4 6.837 -3.111 11.500 1.00 3.52 O ATOM 0 H GLU A 4 10.672 -5.985 10.980 1.00 1.66 H new ATOM 0 HA GLU A 4 8.108 -4.660 10.453 1.00 1.27 H new ATOM 0 HB2 GLU A 4 9.899 -3.914 12.169 1.00 2.01 H new ATOM 0 HB3 GLU A 4 10.828 -3.384 10.781 1.00 2.01 H new ATOM 0 HG2 GLU A 4 9.653 -1.469 11.512 1.00 2.51 H new ATOM 0 HG3 GLU A 4 8.805 -2.010 10.077 1.00 2.51 H new ATOM 52 N ARG A 5 10.326 -5.291 8.248 1.00 0.96 N ATOM 53 CA ARG A 5 10.647 -5.214 6.834 1.00 0.91 C ATOM 54 C ARG A 5 10.472 -6.578 6.178 1.00 0.81 C ATOM 55 O ARG A 5 11.293 -7.480 6.366 1.00 0.84 O ATOM 56 CB ARG A 5 12.078 -4.711 6.627 1.00 0.98 C ATOM 57 CG ARG A 5 12.328 -3.331 7.213 1.00 1.45 C ATOM 58 CD ARG A 5 13.704 -2.804 6.840 1.00 1.50 C ATOM 59 NE ARG A 5 13.987 -1.517 7.472 1.00 2.16 N ATOM 60 CZ ARG A 5 15.037 -0.755 7.171 1.00 2.56 C ATOM 61 NH1 ARG A 5 15.858 -1.109 6.189 1.00 2.34 N ATOM 62 NH2 ARG A 5 15.252 0.376 7.836 1.00 3.55 N ATOM 0 H ARG A 5 10.806 -6.039 8.749 1.00 0.96 H new ATOM 0 HA ARG A 5 9.962 -4.506 6.368 1.00 0.91 H new ATOM 0 HB2 ARG A 5 12.772 -5.420 7.079 1.00 0.98 H new ATOM 0 HB3 ARG A 5 12.295 -4.688 5.559 1.00 0.98 H new ATOM 0 HG2 ARG A 5 11.564 -2.640 6.856 1.00 1.45 H new ATOM 0 HG3 ARG A 5 12.236 -3.374 8.298 1.00 1.45 H new ATOM 0 HD2 ARG A 5 14.462 -3.528 7.137 1.00 1.50 H new ATOM 0 HD3 ARG A 5 13.771 -2.699 5.757 1.00 1.50 H new ATOM 0 HE ARG A 5 13.341 -1.182 8.187 1.00 2.16 H new ATOM 0 HH11 ARG A 5 15.685 -1.966 5.664 1.00 2.34 H new ATOM 0 HH12 ARG A 5 16.662 -0.524 5.960 1.00 2.34 H new ATOM 0 HH21 ARG A 5 14.612 0.661 8.578 1.00 3.55 H new ATOM 0 HH22 ARG A 5 16.057 0.959 7.605 1.00 3.55 H new ATOM 76 N GLU A 6 9.387 -6.727 5.430 1.00 0.77 N ATOM 77 CA GLU A 6 9.106 -7.964 4.714 1.00 0.72 C ATOM 78 C GLU A 6 10.101 -8.139 3.563 1.00 0.62 C ATOM 79 O GLU A 6 10.725 -7.174 3.121 1.00 0.73 O ATOM 80 CB GLU A 6 7.660 -7.938 4.196 1.00 0.85 C ATOM 81 CG GLU A 6 7.209 -9.221 3.517 1.00 1.17 C ATOM 82 CD GLU A 6 7.417 -10.444 4.385 1.00 1.78 C ATOM 83 OE1 GLU A 6 6.625 -10.645 5.328 1.00 2.22 O ATOM 84 OE2 GLU A 6 8.370 -11.208 4.133 1.00 2.46 O ATOM 0 H GLU A 6 8.682 -6.001 5.303 1.00 0.77 H new ATOM 0 HA GLU A 6 9.217 -8.813 5.388 1.00 0.72 H new ATOM 0 HB2 GLU A 6 6.992 -7.730 5.032 1.00 0.85 H new ATOM 0 HB3 GLU A 6 7.555 -7.113 3.491 1.00 0.85 H new ATOM 0 HG2 GLU A 6 6.153 -9.139 3.258 1.00 1.17 H new ATOM 0 HG3 GLU A 6 7.757 -9.345 2.583 1.00 1.17 H new ATOM 91 N ASP A 7 10.260 -9.367 3.087 1.00 0.54 N ATOM 92 CA ASP A 7 11.206 -9.644 2.015 1.00 0.53 C ATOM 93 C ASP A 7 10.471 -10.139 0.775 1.00 0.46 C ATOM 94 O ASP A 7 10.806 -11.174 0.199 1.00 0.55 O ATOM 95 CB ASP A 7 12.248 -10.669 2.466 1.00 0.71 C ATOM 96 CG ASP A 7 13.442 -10.733 1.534 1.00 1.68 C ATOM 97 OD1 ASP A 7 13.728 -11.818 0.988 1.00 2.36 O ATOM 98 OD2 ASP A 7 14.116 -9.698 1.355 1.00 2.34 O ATOM 0 H ASP A 7 9.749 -10.183 3.424 1.00 0.54 H new ATOM 0 HA ASP A 7 11.724 -8.718 1.765 1.00 0.53 H new ATOM 0 HB2 ASP A 7 12.589 -10.418 3.471 1.00 0.71 H new ATOM 0 HB3 ASP A 7 11.783 -11.653 2.524 1.00 0.71 H new ATOM 103 N GLU A 8 9.447 -9.395 0.392 1.00 0.37 N ATOM 104 CA GLU A 8 8.670 -9.692 -0.799 1.00 0.34 C ATOM 105 C GLU A 8 7.833 -8.479 -1.167 1.00 0.28 C ATOM 106 O GLU A 8 7.335 -7.781 -0.290 1.00 0.29 O ATOM 107 CB GLU A 8 7.765 -10.898 -0.554 1.00 0.42 C ATOM 108 CG GLU A 8 6.940 -11.305 -1.763 1.00 0.46 C ATOM 109 CD GLU A 8 6.057 -12.500 -1.478 1.00 0.60 C ATOM 110 OE1 GLU A 8 6.572 -13.641 -1.467 1.00 0.71 O ATOM 111 OE2 GLU A 8 4.843 -12.309 -1.272 1.00 0.69 O ATOM 0 H GLU A 8 9.131 -8.568 0.898 1.00 0.37 H new ATOM 0 HA GLU A 8 9.347 -9.929 -1.620 1.00 0.34 H new ATOM 0 HB2 GLU A 8 8.379 -11.744 -0.244 1.00 0.42 H new ATOM 0 HB3 GLU A 8 7.092 -10.673 0.273 1.00 0.42 H new ATOM 0 HG2 GLU A 8 6.321 -10.465 -2.077 1.00 0.46 H new ATOM 0 HG3 GLU A 8 7.606 -11.538 -2.593 1.00 0.46 H new ATOM 118 N CYS A 9 7.667 -8.236 -2.455 1.00 0.27 N ATOM 119 CA CYS A 9 6.889 -7.100 -2.904 1.00 0.25 C ATOM 120 C CYS A 9 5.418 -7.462 -2.921 1.00 0.32 C ATOM 121 O CYS A 9 5.004 -8.367 -3.643 1.00 0.38 O ATOM 122 CB CYS A 9 7.317 -6.679 -4.301 1.00 0.26 C ATOM 123 SG CYS A 9 6.371 -5.296 -4.975 1.00 0.30 S ATOM 0 H CYS A 9 8.059 -8.808 -3.203 1.00 0.27 H new ATOM 0 HA CYS A 9 7.058 -6.272 -2.216 1.00 0.25 H new ATOM 0 HB2 CYS A 9 8.372 -6.408 -4.280 1.00 0.26 H new ATOM 0 HB3 CYS A 9 7.221 -7.533 -4.972 1.00 0.26 H new ATOM 128 N PHE A 10 4.636 -6.739 -2.140 1.00 0.33 N ATOM 129 CA PHE A 10 3.207 -6.999 -2.032 1.00 0.41 C ATOM 130 C PHE A 10 2.496 -6.707 -3.355 1.00 0.48 C ATOM 131 O PHE A 10 1.435 -7.263 -3.638 1.00 0.57 O ATOM 132 CB PHE A 10 2.614 -6.162 -0.885 1.00 0.41 C ATOM 133 CG PHE A 10 1.121 -6.264 -0.746 1.00 0.46 C ATOM 134 CD1 PHE A 10 0.311 -5.186 -1.069 1.00 0.50 C ATOM 135 CD2 PHE A 10 0.529 -7.432 -0.293 1.00 0.50 C ATOM 136 CE1 PHE A 10 -1.061 -5.273 -0.941 1.00 0.56 C ATOM 137 CE2 PHE A 10 -0.843 -7.522 -0.165 1.00 0.57 C ATOM 138 CZ PHE A 10 -1.637 -6.442 -0.489 1.00 0.59 C ATOM 0 H PHE A 10 4.966 -5.962 -1.567 1.00 0.33 H new ATOM 0 HA PHE A 10 3.055 -8.055 -1.808 1.00 0.41 H new ATOM 0 HB2 PHE A 10 3.076 -6.474 0.052 1.00 0.41 H new ATOM 0 HB3 PHE A 10 2.881 -5.117 -1.039 1.00 0.41 H new ATOM 0 HD1 PHE A 10 0.758 -4.269 -1.424 1.00 0.50 H new ATOM 0 HD2 PHE A 10 1.147 -8.280 -0.038 1.00 0.50 H new ATOM 0 HE1 PHE A 10 -1.682 -4.427 -1.194 1.00 0.56 H new ATOM 0 HE2 PHE A 10 -1.294 -8.437 0.189 1.00 0.57 H new ATOM 0 HZ PHE A 10 -2.710 -6.512 -0.389 1.00 0.59 H new ATOM 148 N SER A 11 3.097 -5.854 -4.174 1.00 0.46 N ATOM 149 CA SER A 11 2.517 -5.502 -5.461 1.00 0.54 C ATOM 150 C SER A 11 2.735 -6.604 -6.496 1.00 0.57 C ATOM 151 O SER A 11 1.816 -6.968 -7.227 1.00 0.69 O ATOM 152 CB SER A 11 3.129 -4.198 -5.974 1.00 0.54 C ATOM 153 OG SER A 11 3.042 -3.177 -5.000 1.00 0.96 O ATOM 0 H SER A 11 3.984 -5.394 -3.970 1.00 0.46 H new ATOM 0 HA SER A 11 1.444 -5.376 -5.315 1.00 0.54 H new ATOM 0 HB2 SER A 11 4.173 -4.363 -6.240 1.00 0.54 H new ATOM 0 HB3 SER A 11 2.614 -3.884 -6.882 1.00 0.54 H new ATOM 0 HG SER A 11 3.442 -2.354 -5.352 1.00 0.96 H new ATOM 159 N CYS A 12 3.946 -7.149 -6.541 1.00 0.48 N ATOM 160 CA CYS A 12 4.324 -8.041 -7.634 1.00 0.53 C ATOM 161 C CYS A 12 4.384 -9.506 -7.198 1.00 0.55 C ATOM 162 O CYS A 12 4.169 -10.408 -8.007 1.00 0.62 O ATOM 163 CB CYS A 12 5.679 -7.615 -8.202 1.00 0.51 C ATOM 164 SG CYS A 12 5.796 -5.855 -8.605 1.00 0.49 S ATOM 0 H CYS A 12 4.674 -6.993 -5.844 1.00 0.48 H new ATOM 0 HA CYS A 12 3.553 -7.962 -8.400 1.00 0.53 H new ATOM 0 HB2 CYS A 12 6.457 -7.863 -7.480 1.00 0.51 H new ATOM 0 HB3 CYS A 12 5.882 -8.196 -9.102 1.00 0.51 H new ATOM 169 N GLY A 13 4.669 -9.744 -5.922 1.00 0.51 N ATOM 170 CA GLY A 13 4.813 -11.107 -5.436 1.00 0.55 C ATOM 171 C GLY A 13 6.250 -11.593 -5.507 1.00 0.54 C ATOM 172 O GLY A 13 6.585 -12.653 -4.978 1.00 0.61 O ATOM 0 H GLY A 13 4.803 -9.020 -5.216 1.00 0.51 H new ATOM 0 HA2 GLY A 13 4.463 -11.162 -4.405 1.00 0.55 H new ATOM 0 HA3 GLY A 13 4.178 -11.770 -6.024 1.00 0.55 H new ATOM 176 N ASP A 14 7.098 -10.811 -6.165 1.00 0.49 N ATOM 177 CA ASP A 14 8.508 -11.155 -6.317 1.00 0.49 C ATOM 178 C ASP A 14 9.348 -10.444 -5.267 1.00 0.38 C ATOM 179 O ASP A 14 8.918 -9.443 -4.688 1.00 0.32 O ATOM 180 CB ASP A 14 9.017 -10.782 -7.717 1.00 0.55 C ATOM 181 CG ASP A 14 8.513 -11.712 -8.805 1.00 0.72 C ATOM 182 OD1 ASP A 14 7.437 -11.438 -9.383 1.00 0.81 O ATOM 183 OD2 ASP A 14 9.184 -12.728 -9.086 1.00 0.85 O ATOM 0 H ASP A 14 6.832 -9.930 -6.604 1.00 0.49 H new ATOM 0 HA ASP A 14 8.602 -12.233 -6.183 1.00 0.49 H new ATOM 0 HB2 ASP A 14 8.709 -9.762 -7.949 1.00 0.55 H new ATOM 0 HB3 ASP A 14 10.107 -10.793 -7.715 1.00 0.55 H new ATOM 188 N ALA A 15 10.537 -10.969 -5.022 1.00 0.41 N ATOM 189 CA ALA A 15 11.467 -10.366 -4.087 1.00 0.36 C ATOM 190 C ALA A 15 12.770 -10.017 -4.793 1.00 0.40 C ATOM 191 O ALA A 15 13.120 -10.630 -5.803 1.00 0.47 O ATOM 192 CB ALA A 15 11.732 -11.297 -2.920 1.00 0.42 C ATOM 0 H ALA A 15 10.882 -11.821 -5.464 1.00 0.41 H new ATOM 0 HA ALA A 15 11.022 -9.450 -3.699 1.00 0.36 H new ATOM 0 HB1 ALA A 15 12.432 -10.826 -2.230 1.00 0.42 H new ATOM 0 HB2 ALA A 15 10.796 -11.506 -2.401 1.00 0.42 H new ATOM 0 HB3 ALA A 15 12.158 -12.230 -3.288 1.00 0.42 H new ATOM 198 N GLY A 16 13.491 -9.052 -4.249 1.00 0.40 N ATOM 199 CA GLY A 16 14.706 -8.581 -4.881 1.00 0.48 C ATOM 200 C GLY A 16 15.076 -7.189 -4.414 1.00 0.49 C ATOM 201 O GLY A 16 15.411 -6.992 -3.244 1.00 1.04 O ATOM 0 H GLY A 16 13.256 -8.582 -3.375 1.00 0.40 H new ATOM 0 HA2 GLY A 16 15.522 -9.268 -4.659 1.00 0.48 H new ATOM 0 HA3 GLY A 16 14.576 -8.579 -5.963 1.00 0.48 H new ATOM 205 N GLN A 17 15.003 -6.219 -5.313 1.00 0.52 N ATOM 206 CA GLN A 17 15.296 -4.836 -4.964 1.00 0.49 C ATOM 207 C GLN A 17 14.077 -4.184 -4.323 1.00 0.39 C ATOM 208 O GLN A 17 13.254 -3.562 -4.998 1.00 0.41 O ATOM 209 CB GLN A 17 15.728 -4.041 -6.195 1.00 0.61 C ATOM 210 CG GLN A 17 16.068 -2.595 -5.883 1.00 0.67 C ATOM 211 CD GLN A 17 16.425 -1.795 -7.116 1.00 0.93 C ATOM 212 OE1 GLN A 17 15.942 -2.073 -8.215 1.00 1.56 O ATOM 213 NE2 GLN A 17 17.262 -0.787 -6.943 1.00 1.52 N ATOM 0 H GLN A 17 14.744 -6.363 -6.289 1.00 0.52 H new ATOM 0 HA GLN A 17 16.118 -4.834 -4.249 1.00 0.49 H new ATOM 0 HB2 GLN A 17 16.596 -4.523 -6.645 1.00 0.61 H new ATOM 0 HB3 GLN A 17 14.929 -4.068 -6.936 1.00 0.61 H new ATOM 0 HG2 GLN A 17 15.219 -2.127 -5.385 1.00 0.67 H new ATOM 0 HG3 GLN A 17 16.903 -2.566 -5.183 1.00 0.67 H new ATOM 0 HE21 GLN A 17 17.639 -0.591 -6.016 1.00 1.52 H new ATOM 0 HE22 GLN A 17 17.531 -0.205 -7.737 1.00 1.52 H new ATOM 222 N LEU A 18 13.961 -4.344 -3.018 1.00 0.34 N ATOM 223 CA LEU A 18 12.832 -3.805 -2.286 1.00 0.27 C ATOM 224 C LEU A 18 13.228 -2.551 -1.519 1.00 0.31 C ATOM 225 O LEU A 18 14.334 -2.456 -0.984 1.00 0.42 O ATOM 226 CB LEU A 18 12.280 -4.853 -1.320 1.00 0.24 C ATOM 227 CG LEU A 18 11.802 -6.146 -1.976 1.00 0.21 C ATOM 228 CD1 LEU A 18 11.607 -7.235 -0.938 1.00 0.25 C ATOM 229 CD2 LEU A 18 10.512 -5.906 -2.737 1.00 0.17 C ATOM 0 H LEU A 18 14.638 -4.845 -2.442 1.00 0.34 H new ATOM 0 HA LEU A 18 12.058 -3.538 -3.006 1.00 0.27 H new ATOM 0 HB2 LEU A 18 13.053 -5.097 -0.592 1.00 0.24 H new ATOM 0 HB3 LEU A 18 11.449 -4.414 -0.768 1.00 0.24 H new ATOM 0 HG LEU A 18 12.567 -6.476 -2.679 1.00 0.21 H new ATOM 0 HD11 LEU A 18 11.266 -8.147 -1.427 1.00 0.25 H new ATOM 0 HD12 LEU A 18 12.552 -7.427 -0.430 1.00 0.25 H new ATOM 0 HD13 LEU A 18 10.862 -6.914 -0.210 1.00 0.25 H new ATOM 0 HD21 LEU A 18 10.184 -6.837 -3.199 1.00 0.17 H new ATOM 0 HD22 LEU A 18 9.744 -5.552 -2.049 1.00 0.17 H new ATOM 0 HD23 LEU A 18 10.680 -5.156 -3.510 1.00 0.17 H new ATOM 241 N VAL A 19 12.327 -1.592 -1.484 1.00 0.29 N ATOM 242 CA VAL A 19 12.502 -0.389 -0.692 1.00 0.32 C ATOM 243 C VAL A 19 11.460 -0.377 0.421 1.00 0.30 C ATOM 244 O VAL A 19 10.268 -0.583 0.171 1.00 0.27 O ATOM 245 CB VAL A 19 12.405 0.891 -1.562 1.00 0.36 C ATOM 246 CG1 VAL A 19 11.131 0.905 -2.395 1.00 0.34 C ATOM 247 CG2 VAL A 19 12.497 2.145 -0.703 1.00 0.42 C ATOM 0 H VAL A 19 11.450 -1.623 -2.004 1.00 0.29 H new ATOM 0 HA VAL A 19 13.502 -0.394 -0.257 1.00 0.32 H new ATOM 0 HB VAL A 19 13.252 0.882 -2.248 1.00 0.36 H new ATOM 0 HG11 VAL A 19 11.097 1.816 -2.992 1.00 0.34 H new ATOM 0 HG12 VAL A 19 11.119 0.038 -3.055 1.00 0.34 H new ATOM 0 HG13 VAL A 19 10.264 0.871 -1.735 1.00 0.34 H new ATOM 0 HG21 VAL A 19 12.426 3.028 -1.339 1.00 0.42 H new ATOM 0 HG22 VAL A 19 11.681 2.152 0.019 1.00 0.42 H new ATOM 0 HG23 VAL A 19 13.450 2.154 -0.174 1.00 0.42 H new ATOM 257 N SER A 20 11.912 -0.175 1.647 1.00 0.34 N ATOM 258 CA SER A 20 11.048 -0.327 2.801 1.00 0.33 C ATOM 259 C SER A 20 10.558 1.021 3.314 1.00 0.33 C ATOM 260 O SER A 20 11.230 2.046 3.179 1.00 0.35 O ATOM 261 CB SER A 20 11.785 -1.087 3.906 1.00 0.39 C ATOM 262 OG SER A 20 10.921 -1.402 4.985 1.00 0.47 O ATOM 0 H SER A 20 12.871 0.094 1.867 1.00 0.34 H new ATOM 0 HA SER A 20 10.171 -0.899 2.496 1.00 0.33 H new ATOM 0 HB2 SER A 20 12.208 -2.005 3.498 1.00 0.39 H new ATOM 0 HB3 SER A 20 12.618 -0.485 4.269 1.00 0.39 H new ATOM 0 HG SER A 20 11.155 -0.853 5.762 1.00 0.47 H new ATOM 268 N CYS A 21 9.373 0.990 3.901 1.00 0.33 N ATOM 269 CA CYS A 21 8.736 2.174 4.445 1.00 0.35 C ATOM 270 C CYS A 21 9.453 2.614 5.721 1.00 0.40 C ATOM 271 O CYS A 21 9.757 1.787 6.578 1.00 0.43 O ATOM 272 CB CYS A 21 7.271 1.853 4.746 1.00 0.37 C ATOM 273 SG CYS A 21 6.213 3.294 4.991 1.00 0.34 S ATOM 0 H CYS A 21 8.824 0.137 4.013 1.00 0.33 H new ATOM 0 HA CYS A 21 8.790 2.987 3.722 1.00 0.35 H new ATOM 0 HB2 CYS A 21 6.868 1.260 3.925 1.00 0.37 H new ATOM 0 HB3 CYS A 21 7.227 1.231 5.640 1.00 0.37 H new ATOM 278 N LYS A 22 9.706 3.911 5.857 1.00 0.52 N ATOM 279 CA LYS A 22 10.416 4.426 7.025 1.00 0.61 C ATOM 280 C LYS A 22 9.434 4.765 8.145 1.00 0.63 C ATOM 281 O LYS A 22 9.646 5.705 8.915 1.00 0.78 O ATOM 282 CB LYS A 22 11.235 5.667 6.655 1.00 0.74 C ATOM 283 CG LYS A 22 12.225 5.444 5.520 1.00 1.35 C ATOM 284 CD LYS A 22 13.254 4.378 5.857 1.00 1.65 C ATOM 285 CE LYS A 22 14.300 4.255 4.759 1.00 2.25 C ATOM 286 NZ LYS A 22 15.130 5.486 4.639 1.00 2.79 N ATOM 0 H LYS A 22 9.433 4.622 5.179 1.00 0.52 H new ATOM 0 HA LYS A 22 11.095 3.650 7.377 1.00 0.61 H new ATOM 0 HB2 LYS A 22 10.552 6.469 6.375 1.00 0.74 H new ATOM 0 HB3 LYS A 22 11.780 6.005 7.536 1.00 0.74 H new ATOM 0 HG2 LYS A 22 11.684 5.152 4.620 1.00 1.35 H new ATOM 0 HG3 LYS A 22 12.735 6.381 5.296 1.00 1.35 H new ATOM 0 HD2 LYS A 22 13.741 4.624 6.801 1.00 1.65 H new ATOM 0 HD3 LYS A 22 12.755 3.419 5.997 1.00 1.65 H new ATOM 0 HE2 LYS A 22 14.945 3.401 4.967 1.00 2.25 H new ATOM 0 HE3 LYS A 22 13.806 4.057 3.808 1.00 2.25 H new ATOM 0 HZ1 LYS A 22 15.818 5.367 3.869 1.00 2.79 H new ATOM 0 HZ2 LYS A 22 14.516 6.300 4.432 1.00 2.79 H new ATOM 0 HZ3 LYS A 22 15.636 5.652 5.532 1.00 2.79 H new ATOM 300 N LYS A 23 8.358 3.997 8.220 1.00 0.60 N ATOM 301 CA LYS A 23 7.336 4.191 9.238 1.00 0.66 C ATOM 302 C LYS A 23 7.253 2.963 10.140 1.00 0.65 C ATOM 303 O LYS A 23 6.971 1.862 9.662 1.00 0.61 O ATOM 304 CB LYS A 23 5.971 4.438 8.580 1.00 0.75 C ATOM 305 CG LYS A 23 4.825 4.610 9.571 1.00 1.23 C ATOM 306 CD LYS A 23 4.953 5.889 10.386 1.00 1.50 C ATOM 307 CE LYS A 23 4.821 7.131 9.514 1.00 1.95 C ATOM 308 NZ LYS A 23 3.475 7.235 8.884 1.00 2.27 N ATOM 0 H LYS A 23 8.169 3.225 7.581 1.00 0.60 H new ATOM 0 HA LYS A 23 7.606 5.060 9.838 1.00 0.66 H new ATOM 0 HB2 LYS A 23 6.036 5.330 7.957 1.00 0.75 H new ATOM 0 HB3 LYS A 23 5.742 3.603 7.918 1.00 0.75 H new ATOM 0 HG2 LYS A 23 3.879 4.620 9.030 1.00 1.23 H new ATOM 0 HG3 LYS A 23 4.799 3.754 10.245 1.00 1.23 H new ATOM 0 HD2 LYS A 23 4.186 5.905 11.160 1.00 1.50 H new ATOM 0 HD3 LYS A 23 5.918 5.902 10.893 1.00 1.50 H new ATOM 0 HE2 LYS A 23 5.007 8.019 10.118 1.00 1.95 H new ATOM 0 HE3 LYS A 23 5.584 7.109 8.736 1.00 1.95 H new ATOM 0 HZ1 LYS A 23 3.413 8.120 8.341 1.00 2.27 H new ATOM 0 HZ2 LYS A 23 3.327 6.427 8.247 1.00 2.27 H new ATOM 0 HZ3 LYS A 23 2.744 7.231 9.624 1.00 2.27 H new ATOM 322 N PRO A 24 7.527 3.118 11.442 1.00 0.77 N ATOM 323 CA PRO A 24 7.331 2.039 12.414 1.00 0.83 C ATOM 324 C PRO A 24 5.886 1.548 12.408 1.00 0.80 C ATOM 325 O PRO A 24 4.952 2.352 12.387 1.00 0.86 O ATOM 326 CB PRO A 24 7.670 2.692 13.759 1.00 1.01 C ATOM 327 CG PRO A 24 8.547 3.843 13.411 1.00 1.18 C ATOM 328 CD PRO A 24 8.061 4.337 12.073 1.00 0.93 C ATOM 0 HA PRO A 24 7.946 1.166 12.196 1.00 0.83 H new ATOM 0 HB2 PRO A 24 6.770 3.023 14.276 1.00 1.01 H new ATOM 0 HB3 PRO A 24 8.180 1.992 14.421 1.00 1.01 H new ATOM 0 HG2 PRO A 24 8.481 4.627 14.165 1.00 1.18 H new ATOM 0 HG3 PRO A 24 9.592 3.537 13.359 1.00 1.18 H new ATOM 0 HD2 PRO A 24 7.294 5.104 12.181 1.00 0.93 H new ATOM 0 HD3 PRO A 24 8.869 4.774 11.486 1.00 0.93 H new ATOM 336 N GLY A 25 5.699 0.238 12.415 1.00 0.76 N ATOM 337 CA GLY A 25 4.361 -0.312 12.349 1.00 0.75 C ATOM 338 C GLY A 25 3.946 -0.657 10.931 1.00 0.65 C ATOM 339 O GLY A 25 2.901 -1.273 10.717 1.00 0.83 O ATOM 0 H GLY A 25 6.447 -0.453 12.465 1.00 0.76 H new ATOM 0 HA2 GLY A 25 4.308 -1.208 12.968 1.00 0.75 H new ATOM 0 HA3 GLY A 25 3.655 0.406 12.767 1.00 0.75 H new ATOM 343 N CYS A 26 4.754 -0.256 9.961 1.00 0.48 N ATOM 344 CA CYS A 26 4.486 -0.575 8.571 1.00 0.39 C ATOM 345 C CYS A 26 5.547 -1.541 8.051 1.00 0.34 C ATOM 346 O CYS A 26 6.673 -1.136 7.761 1.00 0.40 O ATOM 347 CB CYS A 26 4.488 0.709 7.743 1.00 0.44 C ATOM 348 SG CYS A 26 3.936 0.516 6.033 1.00 0.35 S ATOM 0 H CYS A 26 5.601 0.291 10.113 1.00 0.48 H new ATOM 0 HA CYS A 26 3.508 -1.049 8.488 1.00 0.39 H new ATOM 0 HB2 CYS A 26 3.848 1.442 8.235 1.00 0.44 H new ATOM 0 HB3 CYS A 26 5.498 1.119 7.739 1.00 0.44 H new ATOM 353 N PRO A 27 5.197 -2.829 7.921 1.00 0.37 N ATOM 354 CA PRO A 27 6.121 -3.859 7.465 1.00 0.45 C ATOM 355 C PRO A 27 6.053 -4.088 5.959 1.00 0.45 C ATOM 356 O PRO A 27 6.643 -5.036 5.436 1.00 0.66 O ATOM 357 CB PRO A 27 5.611 -5.086 8.215 1.00 0.57 C ATOM 358 CG PRO A 27 4.128 -4.895 8.275 1.00 0.57 C ATOM 359 CD PRO A 27 3.879 -3.400 8.252 1.00 0.44 C ATOM 0 HA PRO A 27 7.164 -3.604 7.654 1.00 0.45 H new ATOM 0 HB2 PRO A 27 5.872 -6.007 7.694 1.00 0.57 H new ATOM 0 HB3 PRO A 27 6.044 -5.150 9.213 1.00 0.57 H new ATOM 0 HG2 PRO A 27 3.641 -5.381 7.430 1.00 0.57 H new ATOM 0 HG3 PRO A 27 3.717 -5.342 9.180 1.00 0.57 H new ATOM 0 HD2 PRO A 27 3.128 -3.131 7.509 1.00 0.44 H new ATOM 0 HD3 PRO A 27 3.517 -3.040 9.215 1.00 0.44 H new ATOM 367 N LYS A 28 5.342 -3.209 5.267 1.00 0.30 N ATOM 368 CA LYS A 28 5.114 -3.377 3.837 1.00 0.30 C ATOM 369 C LYS A 28 6.315 -2.885 3.035 1.00 0.27 C ATOM 370 O LYS A 28 6.873 -1.823 3.317 1.00 0.31 O ATOM 371 CB LYS A 28 3.839 -2.638 3.403 1.00 0.32 C ATOM 372 CG LYS A 28 2.763 -3.555 2.824 1.00 0.42 C ATOM 373 CD LYS A 28 2.341 -4.637 3.811 1.00 0.52 C ATOM 374 CE LYS A 28 1.189 -5.467 3.266 1.00 0.70 C ATOM 375 NZ LYS A 28 0.822 -6.578 4.181 1.00 1.00 N ATOM 0 H LYS A 28 4.914 -2.375 5.670 1.00 0.30 H new ATOM 0 HA LYS A 28 4.982 -4.440 3.637 1.00 0.30 H new ATOM 0 HB2 LYS A 28 3.428 -2.107 4.262 1.00 0.32 H new ATOM 0 HB3 LYS A 28 4.101 -1.886 2.659 1.00 0.32 H new ATOM 0 HG2 LYS A 28 1.893 -2.961 2.544 1.00 0.42 H new ATOM 0 HG3 LYS A 28 3.137 -4.022 1.913 1.00 0.42 H new ATOM 0 HD2 LYS A 28 3.190 -5.287 4.026 1.00 0.52 H new ATOM 0 HD3 LYS A 28 2.045 -4.176 4.754 1.00 0.52 H new ATOM 0 HE2 LYS A 28 0.322 -4.825 3.109 1.00 0.70 H new ATOM 0 HE3 LYS A 28 1.464 -5.874 2.293 1.00 0.70 H new ATOM 0 HZ1 LYS A 28 0.033 -7.118 3.772 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 1.641 -7.206 4.311 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 0.534 -6.189 5.102 1.00 1.00 H new ATOM 389 N VAL A 29 6.694 -3.659 2.027 1.00 0.23 N ATOM 390 CA VAL A 29 7.866 -3.362 1.222 1.00 0.20 C ATOM 391 C VAL A 29 7.531 -3.572 -0.257 1.00 0.18 C ATOM 392 O VAL A 29 6.707 -4.428 -0.599 1.00 0.21 O ATOM 393 CB VAL A 29 9.060 -4.252 1.650 1.00 0.22 C ATOM 394 CG1 VAL A 29 8.970 -5.641 1.053 1.00 0.31 C ATOM 395 CG2 VAL A 29 10.388 -3.607 1.315 1.00 0.44 C ATOM 0 H VAL A 29 6.199 -4.506 1.747 1.00 0.23 H new ATOM 0 HA VAL A 29 8.156 -2.322 1.376 1.00 0.20 H new ATOM 0 HB VAL A 29 9.003 -4.353 2.734 1.00 0.22 H new ATOM 0 HG11 VAL A 29 9.826 -6.233 1.378 1.00 0.31 H new ATOM 0 HG12 VAL A 29 8.050 -6.121 1.386 1.00 0.31 H new ATOM 0 HG13 VAL A 29 8.970 -5.570 -0.035 1.00 0.31 H new ATOM 0 HG21 VAL A 29 11.200 -4.262 1.631 1.00 0.44 H new ATOM 0 HG22 VAL A 29 10.452 -3.443 0.239 1.00 0.44 H new ATOM 0 HG23 VAL A 29 10.470 -2.652 1.834 1.00 0.44 H new ATOM 405 N TYR A 30 8.137 -2.777 -1.128 1.00 0.19 N ATOM 406 CA TYR A 30 7.838 -2.827 -2.557 1.00 0.20 C ATOM 407 C TYR A 30 9.112 -2.599 -3.354 1.00 0.20 C ATOM 408 O TYR A 30 10.126 -2.201 -2.796 1.00 0.21 O ATOM 409 CB TYR A 30 6.824 -1.743 -2.944 1.00 0.29 C ATOM 410 CG TYR A 30 5.552 -1.726 -2.120 1.00 0.37 C ATOM 411 CD1 TYR A 30 4.543 -2.655 -2.345 1.00 0.44 C ATOM 412 CD2 TYR A 30 5.369 -0.793 -1.109 1.00 0.47 C ATOM 413 CE1 TYR A 30 3.387 -2.651 -1.588 1.00 0.55 C ATOM 414 CE2 TYR A 30 4.216 -0.783 -0.349 1.00 0.57 C ATOM 415 CZ TYR A 30 3.207 -1.673 -0.628 1.00 0.60 C ATOM 416 OH TYR A 30 2.081 -1.706 0.167 1.00 0.72 O ATOM 0 H TYR A 30 8.842 -2.086 -0.871 1.00 0.19 H new ATOM 0 HA TYR A 30 7.418 -3.808 -2.779 1.00 0.20 H new ATOM 0 HB2 TYR A 30 7.307 -0.769 -2.858 1.00 0.29 H new ATOM 0 HB3 TYR A 30 6.557 -1.875 -3.992 1.00 0.29 H new ATOM 0 HD1 TYR A 30 4.665 -3.392 -3.125 1.00 0.44 H new ATOM 0 HD2 TYR A 30 6.141 -0.063 -0.913 1.00 0.47 H new ATOM 0 HE1 TYR A 30 2.631 -3.406 -1.745 1.00 0.55 H new ATOM 0 HE2 TYR A 30 4.108 -0.078 0.462 1.00 0.57 H new ATOM 0 HH TYR A 30 2.100 -0.952 0.793 1.00 0.72 H new ATOM 426 N HIS A 31 9.062 -2.857 -4.651 1.00 0.23 N ATOM 427 CA HIS A 31 10.184 -2.538 -5.526 1.00 0.26 C ATOM 428 C HIS A 31 10.143 -1.063 -5.857 1.00 0.32 C ATOM 429 O HIS A 31 9.069 -0.476 -5.978 1.00 0.35 O ATOM 430 CB HIS A 31 10.132 -3.322 -6.841 1.00 0.28 C ATOM 431 CG HIS A 31 10.082 -4.802 -6.688 1.00 0.26 C ATOM 432 ND1 HIS A 31 9.035 -5.528 -7.184 1.00 0.30 N ATOM 433 CD2 HIS A 31 10.975 -5.638 -6.118 1.00 0.26 C ATOM 434 CE1 HIS A 31 9.307 -6.791 -6.906 1.00 0.31 C ATOM 435 NE2 HIS A 31 10.480 -6.911 -6.260 1.00 0.28 N ATOM 0 H HIS A 31 8.263 -3.283 -5.121 1.00 0.23 H new ATOM 0 HA HIS A 31 11.100 -2.808 -5.000 1.00 0.26 H new ATOM 0 HB2 HIS A 31 9.256 -3.000 -7.404 1.00 0.28 H new ATOM 0 HB3 HIS A 31 11.007 -3.062 -7.436 1.00 0.28 H new ATOM 0 HD2 HIS A 31 11.903 -5.359 -5.641 1.00 0.26 H new ATOM 0 HE1 HIS A 31 8.668 -7.622 -7.165 1.00 0.31 H new ATOM 0 HE2 HIS A 31 10.916 -7.776 -5.939 1.00 0.28 H new ATOM 443 N ALA A 32 11.307 -0.470 -6.017 1.00 0.38 N ATOM 444 CA ALA A 32 11.394 0.920 -6.404 1.00 0.45 C ATOM 445 C ALA A 32 10.868 1.108 -7.823 1.00 0.48 C ATOM 446 O ALA A 32 10.301 2.147 -8.153 1.00 0.55 O ATOM 447 CB ALA A 32 12.826 1.408 -6.283 1.00 0.53 C ATOM 0 H ALA A 32 12.207 -0.931 -5.884 1.00 0.38 H new ATOM 0 HA ALA A 32 10.774 1.515 -5.733 1.00 0.45 H new ATOM 0 HB1 ALA A 32 12.879 2.456 -6.577 1.00 0.53 H new ATOM 0 HB2 ALA A 32 13.160 1.303 -5.251 1.00 0.53 H new ATOM 0 HB3 ALA A 32 13.469 0.815 -6.934 1.00 0.53 H new ATOM 453 N ASP A 33 11.050 0.084 -8.651 1.00 0.48 N ATOM 454 CA ASP A 33 10.610 0.127 -10.044 1.00 0.55 C ATOM 455 C ASP A 33 9.086 0.188 -10.153 1.00 0.54 C ATOM 456 O ASP A 33 8.547 1.031 -10.867 1.00 0.62 O ATOM 457 CB ASP A 33 11.144 -1.083 -10.818 1.00 0.60 C ATOM 458 CG ASP A 33 10.813 -1.015 -12.297 1.00 1.35 C ATOM 459 OD1 ASP A 33 9.698 -1.433 -12.680 1.00 1.90 O ATOM 460 OD2 ASP A 33 11.656 -0.538 -13.081 1.00 2.01 O ATOM 0 H ASP A 33 11.501 -0.790 -8.381 1.00 0.48 H new ATOM 0 HA ASP A 33 11.016 1.038 -10.484 1.00 0.55 H new ATOM 0 HB2 ASP A 33 12.225 -1.143 -10.693 1.00 0.60 H new ATOM 0 HB3 ASP A 33 10.723 -1.996 -10.396 1.00 0.60 H new ATOM 465 N CYS A 34 8.389 -0.686 -9.424 1.00 0.48 N ATOM 466 CA CYS A 34 6.930 -0.750 -9.504 1.00 0.52 C ATOM 467 C CYS A 34 6.291 0.432 -8.771 1.00 0.56 C ATOM 468 O CYS A 34 5.089 0.679 -8.888 1.00 0.67 O ATOM 469 CB CYS A 34 6.415 -2.086 -8.941 1.00 0.50 C ATOM 470 SG CYS A 34 7.125 -2.532 -7.340 1.00 0.44 S ATOM 0 H CYS A 34 8.808 -1.354 -8.777 1.00 0.48 H new ATOM 0 HA CYS A 34 6.644 -0.689 -10.554 1.00 0.52 H new ATOM 0 HB2 CYS A 34 5.331 -2.034 -8.844 1.00 0.50 H new ATOM 0 HB3 CYS A 34 6.633 -2.878 -9.657 1.00 0.50 H new ATOM 475 N LEU A 35 7.101 1.152 -8.009 1.00 0.52 N ATOM 476 CA LEU A 35 6.652 2.372 -7.351 1.00 0.58 C ATOM 477 C LEU A 35 6.993 3.602 -8.188 1.00 0.67 C ATOM 478 O LEU A 35 6.646 4.726 -7.824 1.00 0.74 O ATOM 479 CB LEU A 35 7.298 2.505 -5.974 1.00 0.55 C ATOM 480 CG LEU A 35 6.850 1.485 -4.930 1.00 0.49 C ATOM 481 CD1 LEU A 35 7.723 1.602 -3.697 1.00 0.48 C ATOM 482 CD2 LEU A 35 5.389 1.694 -4.561 1.00 0.54 C ATOM 0 H LEU A 35 8.076 0.912 -7.830 1.00 0.52 H new ATOM 0 HA LEU A 35 5.570 2.309 -7.240 1.00 0.58 H new ATOM 0 HB2 LEU A 35 8.379 2.426 -6.091 1.00 0.55 H new ATOM 0 HB3 LEU A 35 7.091 3.504 -5.591 1.00 0.55 H new ATOM 0 HG LEU A 35 6.953 0.485 -5.352 1.00 0.49 H new ATOM 0 HD11 LEU A 35 7.402 0.873 -2.953 1.00 0.48 H new ATOM 0 HD12 LEU A 35 8.762 1.411 -3.967 1.00 0.48 H new ATOM 0 HD13 LEU A 35 7.635 2.606 -3.283 1.00 0.48 H new ATOM 0 HD21 LEU A 35 5.093 0.956 -3.816 1.00 0.54 H new ATOM 0 HD22 LEU A 35 5.257 2.696 -4.152 1.00 0.54 H new ATOM 0 HD23 LEU A 35 4.769 1.581 -5.450 1.00 0.54 H new ATOM 494 N ASN A 36 7.683 3.367 -9.304 1.00 0.68 N ATOM 495 CA ASN A 36 8.124 4.428 -10.207 1.00 0.77 C ATOM 496 C ASN A 36 9.072 5.381 -9.481 1.00 0.78 C ATOM 497 O ASN A 36 9.072 6.591 -9.710 1.00 0.87 O ATOM 498 CB ASN A 36 6.920 5.184 -10.790 1.00 0.86 C ATOM 499 CG ASN A 36 7.276 6.016 -12.011 1.00 1.46 C ATOM 500 OD1 ASN A 36 7.568 7.208 -11.910 1.00 2.09 O ATOM 501 ND2 ASN A 36 7.258 5.388 -13.178 1.00 2.13 N ATOM 0 H ASN A 36 7.952 2.431 -9.608 1.00 0.68 H new ATOM 0 HA ASN A 36 8.665 3.974 -11.038 1.00 0.77 H new ATOM 0 HB2 ASN A 36 6.144 4.468 -11.059 1.00 0.86 H new ATOM 0 HB3 ASN A 36 6.501 5.835 -10.023 1.00 0.86 H new ATOM 0 HD21 ASN A 36 7.491 5.893 -14.033 1.00 2.13 H new ATOM 0 HD22 ASN A 36 7.011 4.399 -13.221 1.00 2.13 H new ATOM 508 N LEU A 37 9.882 4.823 -8.596 1.00 0.71 N ATOM 509 CA LEU A 37 10.852 5.603 -7.850 1.00 0.75 C ATOM 510 C LEU A 37 12.150 5.732 -8.631 1.00 0.83 C ATOM 511 O LEU A 37 13.151 5.086 -8.311 1.00 0.88 O ATOM 512 CB LEU A 37 11.136 4.973 -6.484 1.00 0.69 C ATOM 513 CG LEU A 37 10.009 5.074 -5.453 1.00 0.69 C ATOM 514 CD1 LEU A 37 10.433 4.422 -4.146 1.00 0.69 C ATOM 515 CD2 LEU A 37 9.624 6.526 -5.213 1.00 0.78 C ATOM 0 H LEU A 37 9.885 3.827 -8.377 1.00 0.71 H new ATOM 0 HA LEU A 37 10.427 6.594 -7.695 1.00 0.75 H new ATOM 0 HB2 LEU A 37 11.372 3.919 -6.634 1.00 0.69 H new ATOM 0 HB3 LEU A 37 12.027 5.443 -6.067 1.00 0.69 H new ATOM 0 HG LEU A 37 9.138 4.549 -5.846 1.00 0.69 H new ATOM 0 HD11 LEU A 37 9.623 4.500 -3.421 1.00 0.69 H new ATOM 0 HD12 LEU A 37 10.663 3.371 -4.321 1.00 0.69 H new ATOM 0 HD13 LEU A 37 11.318 4.927 -3.758 1.00 0.69 H new ATOM 0 HD21 LEU A 37 8.821 6.573 -4.477 1.00 0.78 H new ATOM 0 HD22 LEU A 37 10.489 7.075 -4.842 1.00 0.78 H new ATOM 0 HD23 LEU A 37 9.285 6.972 -6.148 1.00 0.78 H new ATOM 527 N THR A 38 12.123 6.551 -9.671 1.00 0.91 N ATOM 528 CA THR A 38 13.321 6.860 -10.426 1.00 1.03 C ATOM 529 C THR A 38 14.287 7.660 -9.555 1.00 1.04 C ATOM 530 O THR A 38 15.509 7.572 -9.701 1.00 1.14 O ATOM 531 CB THR A 38 12.967 7.649 -11.698 1.00 1.16 C ATOM 532 OG1 THR A 38 11.929 6.960 -12.409 1.00 1.43 O ATOM 533 CG2 THR A 38 14.180 7.811 -12.599 1.00 1.59 C ATOM 0 H THR A 38 11.280 7.014 -10.010 1.00 0.91 H new ATOM 0 HA THR A 38 13.801 5.928 -10.725 1.00 1.03 H new ATOM 0 HB THR A 38 12.626 8.642 -11.405 1.00 1.16 H new ATOM 0 HG1 THR A 38 11.700 7.461 -13.219 1.00 1.43 H new ATOM 0 HG21 THR A 38 13.899 8.373 -13.490 1.00 1.59 H new ATOM 0 HG22 THR A 38 14.962 8.348 -12.063 1.00 1.59 H new ATOM 0 HG23 THR A 38 14.550 6.828 -12.891 1.00 1.59 H new ATOM 541 N LYS A 39 13.721 8.425 -8.633 1.00 0.99 N ATOM 542 CA LYS A 39 14.503 9.166 -7.661 1.00 1.02 C ATOM 543 C LYS A 39 14.672 8.334 -6.399 1.00 0.94 C ATOM 544 O LYS A 39 13.771 7.590 -6.009 1.00 0.96 O ATOM 545 CB LYS A 39 13.834 10.502 -7.319 1.00 1.12 C ATOM 546 CG LYS A 39 13.732 11.461 -8.498 1.00 1.57 C ATOM 547 CD LYS A 39 13.023 12.755 -8.117 1.00 1.98 C ATOM 548 CE LYS A 39 13.764 13.510 -7.021 1.00 2.58 C ATOM 549 NZ LYS A 39 15.134 13.910 -7.439 1.00 3.17 N ATOM 0 H LYS A 39 12.713 8.548 -8.540 1.00 0.99 H new ATOM 0 HA LYS A 39 15.481 9.377 -8.094 1.00 1.02 H new ATOM 0 HB2 LYS A 39 12.833 10.308 -6.934 1.00 1.12 H new ATOM 0 HB3 LYS A 39 14.396 10.984 -6.519 1.00 1.12 H new ATOM 0 HG2 LYS A 39 14.732 11.690 -8.868 1.00 1.57 H new ATOM 0 HG3 LYS A 39 13.193 10.978 -9.313 1.00 1.57 H new ATOM 0 HD2 LYS A 39 12.932 13.391 -8.997 1.00 1.98 H new ATOM 0 HD3 LYS A 39 12.011 12.529 -7.781 1.00 1.98 H new ATOM 0 HE2 LYS A 39 13.196 14.399 -6.747 1.00 2.58 H new ATOM 0 HE3 LYS A 39 13.826 12.885 -6.130 1.00 2.58 H new ATOM 0 HZ1 LYS A 39 15.542 14.548 -6.726 1.00 3.17 H new ATOM 0 HZ2 LYS A 39 15.731 13.063 -7.528 1.00 3.17 H new ATOM 0 HZ3 LYS A 39 15.088 14.399 -8.356 1.00 3.17 H new ATOM 563 N ARG A 40 15.830 8.448 -5.774 1.00 0.97 N ATOM 564 CA ARG A 40 16.113 7.707 -4.558 1.00 0.95 C ATOM 565 C ARG A 40 15.720 8.540 -3.344 1.00 0.91 C ATOM 566 O ARG A 40 16.317 9.588 -3.090 1.00 1.01 O ATOM 567 CB ARG A 40 17.599 7.345 -4.501 1.00 1.10 C ATOM 568 CG ARG A 40 18.070 6.578 -5.726 1.00 1.80 C ATOM 569 CD ARG A 40 19.582 6.416 -5.745 1.00 1.93 C ATOM 570 NE ARG A 40 20.058 5.505 -4.706 1.00 2.49 N ATOM 571 CZ ARG A 40 21.346 5.304 -4.433 1.00 2.88 C ATOM 572 NH1 ARG A 40 22.278 5.974 -5.099 1.00 2.66 N ATOM 573 NH2 ARG A 40 21.700 4.436 -3.495 1.00 3.84 N ATOM 0 H ARG A 40 16.592 9.048 -6.090 1.00 0.97 H new ATOM 0 HA ARG A 40 15.531 6.785 -4.554 1.00 0.95 H new ATOM 0 HB2 ARG A 40 18.186 8.258 -4.403 1.00 1.10 H new ATOM 0 HB3 ARG A 40 17.788 6.747 -3.610 1.00 1.10 H new ATOM 0 HG2 ARG A 40 17.599 5.595 -5.743 1.00 1.80 H new ATOM 0 HG3 ARG A 40 17.749 7.100 -6.627 1.00 1.80 H new ATOM 0 HD2 ARG A 40 19.892 6.043 -6.721 1.00 1.93 H new ATOM 0 HD3 ARG A 40 20.051 7.391 -5.612 1.00 1.93 H new ATOM 0 HE ARG A 40 19.365 4.994 -4.159 1.00 2.49 H new ATOM 0 HH11 ARG A 40 22.008 6.643 -5.820 1.00 2.66 H new ATOM 0 HH12 ARG A 40 23.264 5.820 -4.890 1.00 2.66 H new ATOM 0 HH21 ARG A 40 20.985 3.921 -2.981 1.00 3.84 H new ATOM 0 HH22 ARG A 40 22.687 4.284 -3.288 1.00 3.84 H new ATOM 587 N PRO A 41 14.704 8.101 -2.587 1.00 0.85 N ATOM 588 CA PRO A 41 14.220 8.841 -1.421 1.00 0.87 C ATOM 589 C PRO A 41 15.253 8.888 -0.299 1.00 0.96 C ATOM 590 O PRO A 41 15.885 7.879 0.020 1.00 1.05 O ATOM 591 CB PRO A 41 12.979 8.061 -0.981 1.00 0.88 C ATOM 592 CG PRO A 41 13.177 6.687 -1.518 1.00 0.96 C ATOM 593 CD PRO A 41 13.941 6.856 -2.807 1.00 0.86 C ATOM 0 HA PRO A 41 14.012 9.884 -1.660 1.00 0.87 H new ATOM 0 HB2 PRO A 41 12.884 8.050 0.105 1.00 0.88 H new ATOM 0 HB3 PRO A 41 12.069 8.512 -1.376 1.00 0.88 H new ATOM 0 HG2 PRO A 41 13.732 6.068 -0.813 1.00 0.96 H new ATOM 0 HG3 PRO A 41 12.221 6.194 -1.692 1.00 0.96 H new ATOM 0 HD2 PRO A 41 14.600 6.009 -2.999 1.00 0.86 H new ATOM 0 HD3 PRO A 41 13.272 6.940 -3.663 1.00 0.86 H new ATOM 601 N ALA A 42 15.427 10.059 0.291 1.00 1.05 N ATOM 602 CA ALA A 42 16.399 10.236 1.355 1.00 1.18 C ATOM 603 C ALA A 42 15.703 10.520 2.681 1.00 1.15 C ATOM 604 O ALA A 42 14.848 11.405 2.763 1.00 1.21 O ATOM 605 CB ALA A 42 17.361 11.361 1.005 1.00 1.41 C ATOM 0 H ALA A 42 14.906 10.902 0.050 1.00 1.05 H new ATOM 0 HA ALA A 42 16.967 9.312 1.462 1.00 1.18 H new ATOM 0 HB1 ALA A 42 18.085 11.484 1.810 1.00 1.41 H new ATOM 0 HB2 ALA A 42 17.884 11.118 0.080 1.00 1.41 H new ATOM 0 HB3 ALA A 42 16.804 12.288 0.873 1.00 1.41 H new ATOM 611 N GLY A 43 16.054 9.759 3.710 1.00 1.17 N ATOM 612 CA GLY A 43 15.479 9.979 5.020 1.00 1.18 C ATOM 613 C GLY A 43 14.159 9.260 5.196 1.00 1.04 C ATOM 614 O GLY A 43 14.051 8.062 4.914 1.00 1.12 O ATOM 0 H GLY A 43 16.727 8.994 3.659 1.00 1.17 H new ATOM 0 HA2 GLY A 43 16.179 9.640 5.783 1.00 1.18 H new ATOM 0 HA3 GLY A 43 15.331 11.048 5.175 1.00 1.18 H new ATOM 618 N LYS A 44 13.152 9.990 5.649 1.00 1.00 N ATOM 619 CA LYS A 44 11.842 9.415 5.899 1.00 0.92 C ATOM 620 C LYS A 44 11.045 9.297 4.610 1.00 0.80 C ATOM 621 O LYS A 44 10.599 10.296 4.047 1.00 0.84 O ATOM 622 CB LYS A 44 11.064 10.266 6.904 1.00 1.04 C ATOM 623 CG LYS A 44 9.654 9.753 7.175 1.00 1.53 C ATOM 624 CD LYS A 44 8.861 10.719 8.040 1.00 1.94 C ATOM 625 CE LYS A 44 9.472 10.870 9.422 1.00 2.69 C ATOM 626 NZ LYS A 44 8.731 11.854 10.251 1.00 3.46 N ATOM 0 H LYS A 44 13.219 10.987 5.852 1.00 1.00 H new ATOM 0 HA LYS A 44 11.991 8.418 6.313 1.00 0.92 H new ATOM 0 HB2 LYS A 44 11.616 10.300 7.843 1.00 1.04 H new ATOM 0 HB3 LYS A 44 11.004 11.289 6.532 1.00 1.04 H new ATOM 0 HG2 LYS A 44 9.134 9.601 6.229 1.00 1.53 H new ATOM 0 HG3 LYS A 44 9.708 8.783 7.669 1.00 1.53 H new ATOM 0 HD2 LYS A 44 8.819 11.693 7.553 1.00 1.94 H new ATOM 0 HD3 LYS A 44 7.834 10.365 8.133 1.00 1.94 H new ATOM 0 HE2 LYS A 44 9.477 9.903 9.924 1.00 2.69 H new ATOM 0 HE3 LYS A 44 10.511 11.185 9.327 1.00 2.69 H new ATOM 0 HZ1 LYS A 44 9.180 11.928 11.186 1.00 3.46 H new ATOM 0 HZ2 LYS A 44 8.748 12.783 9.785 1.00 3.46 H new ATOM 0 HZ3 LYS A 44 7.746 11.541 10.364 1.00 3.46 H new ATOM 640 N TRP A 45 10.878 8.076 4.145 1.00 0.72 N ATOM 641 CA TRP A 45 10.016 7.805 3.018 1.00 0.62 C ATOM 642 C TRP A 45 8.811 6.996 3.478 1.00 0.53 C ATOM 643 O TRP A 45 8.962 5.937 4.093 1.00 0.53 O ATOM 644 CB TRP A 45 10.776 7.052 1.924 1.00 0.62 C ATOM 645 CG TRP A 45 9.907 6.671 0.765 1.00 0.55 C ATOM 646 CD1 TRP A 45 9.474 7.490 -0.236 1.00 0.57 C ATOM 647 CD2 TRP A 45 9.360 5.376 0.492 1.00 0.48 C ATOM 648 NE1 TRP A 45 8.688 6.787 -1.112 1.00 0.51 N ATOM 649 CE2 TRP A 45 8.603 5.486 -0.689 1.00 0.46 C ATOM 650 CE3 TRP A 45 9.437 4.136 1.131 1.00 0.47 C ATOM 651 CZ2 TRP A 45 7.927 4.403 -1.242 1.00 0.43 C ATOM 652 CZ3 TRP A 45 8.765 3.060 0.580 1.00 0.44 C ATOM 653 CH2 TRP A 45 8.018 3.200 -0.595 1.00 0.42 C ATOM 0 H TRP A 45 11.333 7.251 4.535 1.00 0.72 H new ATOM 0 HA TRP A 45 9.674 8.752 2.602 1.00 0.62 H new ATOM 0 HB2 TRP A 45 11.597 7.673 1.567 1.00 0.62 H new ATOM 0 HB3 TRP A 45 11.219 6.152 2.350 1.00 0.62 H new ATOM 0 HD1 TRP A 45 9.715 8.539 -0.325 1.00 0.57 H new ATOM 0 HE1 TRP A 45 8.239 7.170 -1.944 1.00 0.51 H new ATOM 0 HE3 TRP A 45 10.011 4.020 2.039 1.00 0.47 H new ATOM 0 HZ2 TRP A 45 7.351 4.508 -2.149 1.00 0.43 H new ATOM 0 HZ3 TRP A 45 8.818 2.096 1.064 1.00 0.44 H new ATOM 0 HH2 TRP A 45 7.503 2.341 -1.000 1.00 0.42 H new ATOM 664 N GLU A 46 7.625 7.505 3.205 1.00 0.51 N ATOM 665 CA GLU A 46 6.405 6.801 3.546 1.00 0.48 C ATOM 666 C GLU A 46 5.818 6.157 2.301 1.00 0.39 C ATOM 667 O GLU A 46 5.750 6.785 1.245 1.00 0.42 O ATOM 668 CB GLU A 46 5.393 7.758 4.174 1.00 0.60 C ATOM 669 CG GLU A 46 5.821 8.284 5.534 1.00 1.17 C ATOM 670 CD GLU A 46 4.843 9.290 6.098 1.00 1.33 C ATOM 671 OE1 GLU A 46 4.955 10.483 5.754 1.00 1.73 O ATOM 672 OE2 GLU A 46 3.963 8.896 6.892 1.00 1.82 O ATOM 0 H GLU A 46 7.481 8.405 2.747 1.00 0.51 H new ATOM 0 HA GLU A 46 6.639 6.023 4.273 1.00 0.48 H new ATOM 0 HB2 GLU A 46 5.235 8.600 3.501 1.00 0.60 H new ATOM 0 HB3 GLU A 46 4.436 7.247 4.276 1.00 0.60 H new ATOM 0 HG2 GLU A 46 5.920 7.450 6.228 1.00 1.17 H new ATOM 0 HG3 GLU A 46 6.804 8.746 5.448 1.00 1.17 H new ATOM 679 N CYS A 47 5.421 4.901 2.422 1.00 0.32 N ATOM 680 CA CYS A 47 4.841 4.179 1.304 1.00 0.28 C ATOM 681 C CYS A 47 3.526 4.839 0.888 1.00 0.26 C ATOM 682 O CYS A 47 2.796 5.364 1.731 1.00 0.27 O ATOM 683 CB CYS A 47 4.606 2.706 1.680 1.00 0.28 C ATOM 684 SG CYS A 47 3.260 2.432 2.860 1.00 0.26 S ATOM 0 H CYS A 47 5.490 4.361 3.284 1.00 0.32 H new ATOM 0 HA CYS A 47 5.535 4.211 0.464 1.00 0.28 H new ATOM 0 HB2 CYS A 47 4.395 2.142 0.771 1.00 0.28 H new ATOM 0 HB3 CYS A 47 5.527 2.301 2.099 1.00 0.28 H new ATOM 689 N PRO A 48 3.208 4.826 -0.425 1.00 0.27 N ATOM 690 CA PRO A 48 1.965 5.413 -0.956 1.00 0.29 C ATOM 691 C PRO A 48 0.720 4.731 -0.400 1.00 0.27 C ATOM 692 O PRO A 48 -0.400 5.163 -0.647 1.00 0.30 O ATOM 693 CB PRO A 48 2.067 5.189 -2.472 1.00 0.35 C ATOM 694 CG PRO A 48 3.067 4.098 -2.634 1.00 0.34 C ATOM 695 CD PRO A 48 4.041 4.260 -1.500 1.00 0.29 C ATOM 0 HA PRO A 48 1.866 6.462 -0.679 1.00 0.29 H new ATOM 0 HB2 PRO A 48 1.103 4.907 -2.895 1.00 0.35 H new ATOM 0 HB3 PRO A 48 2.386 6.096 -2.984 1.00 0.35 H new ATOM 0 HG2 PRO A 48 2.587 3.120 -2.600 1.00 0.34 H new ATOM 0 HG3 PRO A 48 3.573 4.171 -3.597 1.00 0.34 H new ATOM 0 HD2 PRO A 48 4.483 3.307 -1.209 1.00 0.29 H new ATOM 0 HD3 PRO A 48 4.863 4.925 -1.766 1.00 0.29 H new ATOM 703 N TRP A 49 0.942 3.669 0.368 1.00 0.24 N ATOM 704 CA TRP A 49 -0.126 2.937 1.038 1.00 0.23 C ATOM 705 C TRP A 49 -0.638 3.745 2.236 1.00 0.23 C ATOM 706 O TRP A 49 -1.550 3.327 2.945 1.00 0.27 O ATOM 707 CB TRP A 49 0.412 1.572 1.495 1.00 0.22 C ATOM 708 CG TRP A 49 -0.627 0.507 1.686 1.00 0.22 C ATOM 709 CD1 TRP A 49 -1.666 0.208 0.850 1.00 0.25 C ATOM 710 CD2 TRP A 49 -0.703 -0.427 2.772 1.00 0.24 C ATOM 711 NE1 TRP A 49 -2.378 -0.859 1.348 1.00 0.27 N ATOM 712 CE2 TRP A 49 -1.810 -1.261 2.530 1.00 0.26 C ATOM 713 CE3 TRP A 49 0.060 -0.638 3.928 1.00 0.27 C ATOM 714 CZ2 TRP A 49 -2.173 -2.288 3.397 1.00 0.30 C ATOM 715 CZ3 TRP A 49 -0.303 -1.656 4.789 1.00 0.31 C ATOM 716 CH2 TRP A 49 -1.412 -2.472 4.520 1.00 0.32 C ATOM 0 H TRP A 49 1.873 3.291 0.544 1.00 0.24 H new ATOM 0 HA TRP A 49 -0.957 2.781 0.350 1.00 0.23 H new ATOM 0 HB2 TRP A 49 1.138 1.221 0.761 1.00 0.22 H new ATOM 0 HB3 TRP A 49 0.948 1.707 2.434 1.00 0.22 H new ATOM 0 HD1 TRP A 49 -1.895 0.732 -0.066 1.00 0.25 H new ATOM 0 HE1 TRP A 49 -3.196 -1.282 0.909 1.00 0.27 H new ATOM 0 HE3 TRP A 49 0.917 -0.016 4.142 1.00 0.27 H new ATOM 0 HZ2 TRP A 49 -3.026 -2.918 3.191 1.00 0.30 H new ATOM 0 HZ3 TRP A 49 0.277 -1.826 5.684 1.00 0.31 H new ATOM 0 HH2 TRP A 49 -1.670 -3.260 5.212 1.00 0.32 H new ATOM 727 N HIS A 50 -0.015 4.898 2.475 1.00 0.23 N ATOM 728 CA HIS A 50 -0.489 5.832 3.490 1.00 0.24 C ATOM 729 C HIS A 50 -1.082 7.071 2.831 1.00 0.25 C ATOM 730 O HIS A 50 -1.469 8.023 3.510 1.00 0.29 O ATOM 731 CB HIS A 50 0.645 6.274 4.419 1.00 0.27 C ATOM 732 CG HIS A 50 1.396 5.157 5.073 1.00 0.28 C ATOM 733 ND1 HIS A 50 0.865 3.916 5.351 1.00 0.32 N ATOM 734 CD2 HIS A 50 2.675 5.126 5.515 1.00 0.30 C ATOM 735 CE1 HIS A 50 1.823 3.186 5.941 1.00 0.35 C ATOM 736 NE2 HIS A 50 2.943 3.879 6.062 1.00 0.34 N ATOM 0 H HIS A 50 0.820 5.206 1.978 1.00 0.23 H new ATOM 0 HA HIS A 50 -1.248 5.314 4.076 1.00 0.24 H new ATOM 0 HB2 HIS A 50 1.348 6.879 3.847 1.00 0.27 H new ATOM 0 HB3 HIS A 50 0.229 6.916 5.195 1.00 0.27 H new ATOM 0 HD2 HIS A 50 3.377 5.944 5.452 1.00 0.30 H new ATOM 0 HE1 HIS A 50 1.697 2.166 6.274 1.00 0.35 H new ATOM 0 HE2 HIS A 50 3.822 3.563 6.472 1.00 0.34 H new ATOM 744 N GLN A 51 -1.142 7.063 1.507 1.00 0.25 N ATOM 745 CA GLN A 51 -1.614 8.220 0.761 1.00 0.28 C ATOM 746 C GLN A 51 -2.820 7.848 -0.083 1.00 0.24 C ATOM 747 O GLN A 51 -2.862 6.783 -0.697 1.00 0.26 O ATOM 748 CB GLN A 51 -0.505 8.790 -0.129 1.00 0.38 C ATOM 749 CG GLN A 51 0.722 9.243 0.648 1.00 0.48 C ATOM 750 CD GLN A 51 0.484 10.502 1.467 1.00 0.55 C ATOM 751 OE1 GLN A 51 0.712 11.616 0.995 1.00 0.83 O ATOM 752 NE2 GLN A 51 0.024 10.343 2.701 1.00 0.86 N ATOM 0 H GLN A 51 -0.870 6.269 0.928 1.00 0.25 H new ATOM 0 HA GLN A 51 -1.906 8.987 1.478 1.00 0.28 H new ATOM 0 HB2 GLN A 51 -0.207 8.033 -0.855 1.00 0.38 H new ATOM 0 HB3 GLN A 51 -0.901 9.635 -0.693 1.00 0.38 H new ATOM 0 HG2 GLN A 51 1.039 8.440 1.313 1.00 0.48 H new ATOM 0 HG3 GLN A 51 1.540 9.421 -0.050 1.00 0.48 H new ATOM 0 HE21 GLN A 51 -0.155 9.406 3.062 1.00 0.86 H new ATOM 0 HE22 GLN A 51 -0.151 11.158 3.289 1.00 0.86 H new ATOM 761 N CYS A 52 -3.803 8.722 -0.088 1.00 0.23 N ATOM 762 CA CYS A 52 -5.015 8.502 -0.847 1.00 0.21 C ATOM 763 C CYS A 52 -4.716 8.592 -2.334 1.00 0.26 C ATOM 764 O CYS A 52 -4.292 9.633 -2.821 1.00 0.31 O ATOM 765 CB CYS A 52 -6.057 9.539 -0.455 1.00 0.22 C ATOM 766 SG CYS A 52 -7.647 9.378 -1.300 1.00 0.23 S ATOM 0 H CYS A 52 -3.785 9.600 0.431 1.00 0.23 H new ATOM 0 HA CYS A 52 -5.404 7.508 -0.628 1.00 0.21 H new ATOM 0 HB2 CYS A 52 -6.225 9.475 0.620 1.00 0.22 H new ATOM 0 HB3 CYS A 52 -5.654 10.532 -0.656 1.00 0.22 H new ATOM 771 N ASP A 53 -4.955 7.501 -3.045 1.00 0.28 N ATOM 772 CA ASP A 53 -4.658 7.424 -4.474 1.00 0.35 C ATOM 773 C ASP A 53 -5.415 8.493 -5.260 1.00 0.36 C ATOM 774 O ASP A 53 -5.003 8.878 -6.354 1.00 0.42 O ATOM 775 CB ASP A 53 -5.001 6.029 -5.014 1.00 0.39 C ATOM 776 CG ASP A 53 -4.629 5.856 -6.473 1.00 0.51 C ATOM 777 OD1 ASP A 53 -5.539 5.853 -7.330 1.00 0.56 O ATOM 778 OD2 ASP A 53 -3.424 5.745 -6.777 1.00 0.64 O ATOM 0 H ASP A 53 -5.357 6.648 -2.655 1.00 0.28 H new ATOM 0 HA ASP A 53 -3.591 7.605 -4.603 1.00 0.35 H new ATOM 0 HB2 ASP A 53 -4.482 5.277 -4.420 1.00 0.39 H new ATOM 0 HB3 ASP A 53 -6.069 5.850 -4.892 1.00 0.39 H new ATOM 783 N VAL A 54 -6.506 8.992 -4.688 1.00 0.33 N ATOM 784 CA VAL A 54 -7.336 9.976 -5.365 1.00 0.36 C ATOM 785 C VAL A 54 -6.813 11.397 -5.154 1.00 0.37 C ATOM 786 O VAL A 54 -6.532 12.106 -6.120 1.00 0.44 O ATOM 787 CB VAL A 54 -8.807 9.900 -4.905 1.00 0.34 C ATOM 788 CG1 VAL A 54 -9.650 10.940 -5.622 1.00 0.38 C ATOM 789 CG2 VAL A 54 -9.375 8.512 -5.144 1.00 0.33 C ATOM 0 H VAL A 54 -6.834 8.730 -3.758 1.00 0.33 H new ATOM 0 HA VAL A 54 -7.288 9.736 -6.427 1.00 0.36 H new ATOM 0 HB VAL A 54 -8.835 10.107 -3.835 1.00 0.34 H new ATOM 0 HG11 VAL A 54 -10.683 10.868 -5.282 1.00 0.38 H new ATOM 0 HG12 VAL A 54 -9.264 11.935 -5.402 1.00 0.38 H new ATOM 0 HG13 VAL A 54 -9.609 10.764 -6.697 1.00 0.38 H new ATOM 0 HG21 VAL A 54 -10.413 8.482 -4.812 1.00 0.33 H new ATOM 0 HG22 VAL A 54 -9.327 8.277 -6.207 1.00 0.33 H new ATOM 0 HG23 VAL A 54 -8.794 7.780 -4.584 1.00 0.33 H new ATOM 799 N CYS A 55 -6.668 11.817 -3.897 1.00 0.34 N ATOM 800 CA CYS A 55 -6.320 13.211 -3.621 1.00 0.36 C ATOM 801 C CYS A 55 -4.865 13.383 -3.176 1.00 0.35 C ATOM 802 O CYS A 55 -4.388 14.508 -3.030 1.00 0.41 O ATOM 803 CB CYS A 55 -7.280 13.821 -2.589 1.00 0.37 C ATOM 804 SG CYS A 55 -7.289 13.026 -0.961 1.00 0.32 S ATOM 0 H CYS A 55 -6.783 11.229 -3.072 1.00 0.34 H new ATOM 0 HA CYS A 55 -6.426 13.750 -4.562 1.00 0.36 H new ATOM 0 HB2 CYS A 55 -7.024 14.872 -2.458 1.00 0.37 H new ATOM 0 HB3 CYS A 55 -8.291 13.787 -2.995 1.00 0.37 H new ATOM 809 N GLY A 56 -4.163 12.277 -2.956 1.00 0.33 N ATOM 810 CA GLY A 56 -2.752 12.345 -2.607 1.00 0.36 C ATOM 811 C GLY A 56 -2.515 12.742 -1.166 1.00 0.38 C ATOM 812 O GLY A 56 -1.372 12.907 -0.741 1.00 0.49 O ATOM 0 H GLY A 56 -4.544 11.333 -3.013 1.00 0.33 H new ATOM 0 HA2 GLY A 56 -2.291 11.374 -2.791 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -2.256 13.062 -3.261 1.00 0.36 H new ATOM 816 N LYS A 57 -3.593 12.900 -0.410 1.00 0.35 N ATOM 817 CA LYS A 57 -3.490 13.284 0.988 1.00 0.39 C ATOM 818 C LYS A 57 -3.454 12.051 1.882 1.00 0.33 C ATOM 819 O LYS A 57 -3.356 10.927 1.391 1.00 0.33 O ATOM 820 CB LYS A 57 -4.658 14.186 1.381 1.00 0.48 C ATOM 821 CG LYS A 57 -4.728 15.472 0.577 1.00 0.65 C ATOM 822 CD LYS A 57 -5.943 16.300 0.960 1.00 0.78 C ATOM 823 CE LYS A 57 -5.988 17.610 0.190 1.00 1.16 C ATOM 824 NZ LYS A 57 -7.180 18.427 0.544 1.00 1.91 N ATOM 0 H LYS A 57 -4.548 12.768 -0.743 1.00 0.35 H new ATOM 0 HA LYS A 57 -2.560 13.837 1.123 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -5.590 13.636 1.253 1.00 0.48 H new ATOM 0 HB3 LYS A 57 -4.576 14.433 2.440 1.00 0.48 H new ATOM 0 HG2 LYS A 57 -3.822 16.055 0.741 1.00 0.65 H new ATOM 0 HG3 LYS A 57 -4.767 15.236 -0.486 1.00 0.65 H new ATOM 0 HD2 LYS A 57 -6.851 15.729 0.763 1.00 0.78 H new ATOM 0 HD3 LYS A 57 -5.922 16.506 2.030 1.00 0.78 H new ATOM 0 HE2 LYS A 57 -5.083 18.182 0.395 1.00 1.16 H new ATOM 0 HE3 LYS A 57 -5.997 17.401 -0.880 1.00 1.16 H new ATOM 0 HZ1 LYS A 57 -7.170 19.311 -0.004 1.00 1.91 H new ATOM 0 HZ2 LYS A 57 -8.045 17.893 0.324 1.00 1.91 H new ATOM 0 HZ3 LYS A 57 -7.159 18.649 1.560 1.00 1.91 H new ATOM 838 N GLU A 58 -3.540 12.270 3.185 1.00 0.35 N ATOM 839 CA GLU A 58 -3.508 11.191 4.163 1.00 0.37 C ATOM 840 C GLU A 58 -4.604 10.164 3.890 1.00 0.30 C ATOM 841 O GLU A 58 -5.764 10.518 3.668 1.00 0.36 O ATOM 842 CB GLU A 58 -3.666 11.765 5.574 1.00 0.51 C ATOM 843 CG GLU A 58 -3.711 10.709 6.664 1.00 0.88 C ATOM 844 CD GLU A 58 -3.833 11.308 8.047 1.00 1.30 C ATOM 845 OE1 GLU A 58 -2.812 11.387 8.761 1.00 1.50 O ATOM 846 OE2 GLU A 58 -4.952 11.711 8.421 1.00 2.03 O ATOM 0 H GLU A 58 -3.634 13.199 3.595 1.00 0.35 H new ATOM 0 HA GLU A 58 -2.546 10.686 4.082 1.00 0.37 H new ATOM 0 HB2 GLU A 58 -2.838 12.445 5.774 1.00 0.51 H new ATOM 0 HB3 GLU A 58 -4.581 12.356 5.615 1.00 0.51 H new ATOM 0 HG2 GLU A 58 -4.555 10.042 6.485 1.00 0.88 H new ATOM 0 HG3 GLU A 58 -2.808 10.101 6.614 1.00 0.88 H new ATOM 853 N ALA A 59 -4.220 8.898 3.874 1.00 0.26 N ATOM 854 CA ALA A 59 -5.172 7.813 3.725 1.00 0.21 C ATOM 855 C ALA A 59 -5.615 7.306 5.088 1.00 0.23 C ATOM 856 O ALA A 59 -4.828 7.273 6.036 1.00 0.30 O ATOM 857 CB ALA A 59 -4.563 6.681 2.923 1.00 0.22 C ATOM 0 H ALA A 59 -3.250 8.597 3.963 1.00 0.26 H new ATOM 0 HA ALA A 59 -6.043 8.191 3.191 1.00 0.21 H new ATOM 0 HB1 ALA A 59 -5.290 5.875 2.821 1.00 0.22 H new ATOM 0 HB2 ALA A 59 -4.283 7.045 1.934 1.00 0.22 H new ATOM 0 HB3 ALA A 59 -3.677 6.307 3.436 1.00 0.22 H new ATOM 863 N ALA A 60 -6.872 6.909 5.180 1.00 0.20 N ATOM 864 CA ALA A 60 -7.426 6.427 6.432 1.00 0.23 C ATOM 865 C ALA A 60 -7.699 4.932 6.366 1.00 0.23 C ATOM 866 O ALA A 60 -7.592 4.225 7.365 1.00 0.30 O ATOM 867 CB ALA A 60 -8.698 7.182 6.764 1.00 0.27 C ATOM 0 H ALA A 60 -7.529 6.911 4.400 1.00 0.20 H new ATOM 0 HA ALA A 60 -6.695 6.602 7.221 1.00 0.23 H new ATOM 0 HB1 ALA A 60 -9.105 6.813 7.705 1.00 0.27 H new ATOM 0 HB2 ALA A 60 -8.476 8.245 6.857 1.00 0.27 H new ATOM 0 HB3 ALA A 60 -9.428 7.032 5.969 1.00 0.27 H new ATOM 873 N SER A 61 -8.059 4.458 5.185 1.00 0.21 N ATOM 874 CA SER A 61 -8.326 3.047 4.987 1.00 0.23 C ATOM 875 C SER A 61 -7.427 2.494 3.889 1.00 0.20 C ATOM 876 O SER A 61 -7.173 3.169 2.885 1.00 0.30 O ATOM 877 CB SER A 61 -9.796 2.846 4.640 1.00 0.30 C ATOM 878 OG SER A 61 -10.169 3.652 3.536 1.00 0.35 O ATOM 0 H SER A 61 -8.173 5.032 4.349 1.00 0.21 H new ATOM 0 HA SER A 61 -8.110 2.505 5.908 1.00 0.23 H new ATOM 0 HB2 SER A 61 -9.979 1.797 4.408 1.00 0.30 H new ATOM 0 HB3 SER A 61 -10.415 3.094 5.502 1.00 0.30 H new ATOM 0 HG SER A 61 -9.878 3.223 2.704 1.00 0.35 H new ATOM 884 N PHE A 62 -6.952 1.274 4.077 1.00 0.21 N ATOM 885 CA PHE A 62 -5.958 0.697 3.185 1.00 0.20 C ATOM 886 C PHE A 62 -6.509 -0.548 2.498 1.00 0.19 C ATOM 887 O PHE A 62 -7.084 -1.416 3.154 1.00 0.22 O ATOM 888 CB PHE A 62 -4.705 0.331 3.990 1.00 0.26 C ATOM 889 CG PHE A 62 -4.354 1.340 5.051 1.00 0.30 C ATOM 890 CD1 PHE A 62 -4.416 0.998 6.393 1.00 0.68 C ATOM 891 CD2 PHE A 62 -3.984 2.631 4.712 1.00 0.29 C ATOM 892 CE1 PHE A 62 -4.112 1.922 7.373 1.00 0.76 C ATOM 893 CE2 PHE A 62 -3.679 3.559 5.689 1.00 0.29 C ATOM 894 CZ PHE A 62 -3.744 3.205 7.020 1.00 0.47 C ATOM 0 H PHE A 62 -7.239 0.662 4.841 1.00 0.21 H new ATOM 0 HA PHE A 62 -5.705 1.430 2.419 1.00 0.20 H new ATOM 0 HB2 PHE A 62 -4.857 -0.641 4.460 1.00 0.26 H new ATOM 0 HB3 PHE A 62 -3.862 0.226 3.307 1.00 0.26 H new ATOM 0 HD1 PHE A 62 -4.706 -0.003 6.675 1.00 0.68 H new ATOM 0 HD2 PHE A 62 -3.933 2.916 3.671 1.00 0.29 H new ATOM 0 HE1 PHE A 62 -4.162 1.641 8.415 1.00 0.76 H new ATOM 0 HE2 PHE A 62 -3.390 4.562 5.410 1.00 0.29 H new ATOM 0 HZ PHE A 62 -3.508 3.930 7.785 1.00 0.47 H new ATOM 904 N CYS A 63 -6.354 -0.632 1.179 1.00 0.18 N ATOM 905 CA CYS A 63 -6.737 -1.839 0.459 1.00 0.18 C ATOM 906 C CYS A 63 -5.742 -2.950 0.768 1.00 0.19 C ATOM 907 O CYS A 63 -4.536 -2.777 0.597 1.00 0.22 O ATOM 908 CB CYS A 63 -6.804 -1.597 -1.052 1.00 0.20 C ATOM 909 SG CYS A 63 -7.600 -2.941 -1.965 1.00 0.23 S ATOM 0 H CYS A 63 -5.971 0.112 0.595 1.00 0.18 H new ATOM 0 HA CYS A 63 -7.733 -2.133 0.789 1.00 0.18 H new ATOM 0 HB2 CYS A 63 -7.346 -0.670 -1.240 1.00 0.20 H new ATOM 0 HB3 CYS A 63 -5.793 -1.458 -1.435 1.00 0.20 H new ATOM 914 N GLU A 64 -6.248 -4.089 1.215 1.00 0.19 N ATOM 915 CA GLU A 64 -5.391 -5.200 1.612 1.00 0.23 C ATOM 916 C GLU A 64 -5.049 -6.084 0.418 1.00 0.25 C ATOM 917 O GLU A 64 -4.491 -7.169 0.580 1.00 0.29 O ATOM 918 CB GLU A 64 -6.069 -6.039 2.696 1.00 0.24 C ATOM 919 CG GLU A 64 -6.341 -5.276 3.984 1.00 0.24 C ATOM 920 CD GLU A 64 -6.990 -6.143 5.042 1.00 0.29 C ATOM 921 OE1 GLU A 64 -6.260 -6.880 5.741 1.00 0.42 O ATOM 922 OE2 GLU A 64 -8.231 -6.087 5.188 1.00 0.32 O ATOM 0 H GLU A 64 -7.247 -4.270 1.313 1.00 0.19 H new ATOM 0 HA GLU A 64 -4.467 -4.780 2.009 1.00 0.23 H new ATOM 0 HB2 GLU A 64 -7.012 -6.424 2.307 1.00 0.24 H new ATOM 0 HB3 GLU A 64 -5.441 -6.901 2.921 1.00 0.24 H new ATOM 0 HG2 GLU A 64 -5.404 -4.876 4.371 1.00 0.24 H new ATOM 0 HG3 GLU A 64 -6.987 -4.425 3.769 1.00 0.24 H new ATOM 929 N MET A 65 -5.392 -5.626 -0.779 1.00 0.27 N ATOM 930 CA MET A 65 -5.096 -6.384 -1.990 1.00 0.32 C ATOM 931 C MET A 65 -4.133 -5.635 -2.905 1.00 0.35 C ATOM 932 O MET A 65 -3.605 -6.212 -3.854 1.00 0.44 O ATOM 933 CB MET A 65 -6.377 -6.703 -2.762 1.00 0.34 C ATOM 934 CG MET A 65 -7.328 -7.639 -2.032 1.00 0.36 C ATOM 935 SD MET A 65 -8.824 -7.979 -2.983 1.00 0.70 S ATOM 936 CE MET A 65 -9.629 -9.191 -1.938 1.00 1.54 C ATOM 0 H MET A 65 -5.872 -4.740 -0.938 1.00 0.27 H new ATOM 0 HA MET A 65 -4.622 -7.313 -1.672 1.00 0.32 H new ATOM 0 HB2 MET A 65 -6.898 -5.771 -2.980 1.00 0.34 H new ATOM 0 HB3 MET A 65 -6.109 -7.150 -3.720 1.00 0.34 H new ATOM 0 HG2 MET A 65 -6.816 -8.577 -1.817 1.00 0.36 H new ATOM 0 HG3 MET A 65 -7.602 -7.199 -1.073 1.00 0.36 H new ATOM 0 HE1 MET A 65 -10.570 -9.498 -2.395 1.00 1.54 H new ATOM 0 HE2 MET A 65 -8.981 -10.060 -1.823 1.00 1.54 H new ATOM 0 HE3 MET A 65 -9.827 -8.754 -0.959 1.00 1.54 H new ATOM 946 N CYS A 66 -3.892 -4.358 -2.624 1.00 0.32 N ATOM 947 CA CYS A 66 -3.040 -3.550 -3.485 1.00 0.34 C ATOM 948 C CYS A 66 -2.575 -2.298 -2.738 1.00 0.33 C ATOM 949 O CYS A 66 -3.133 -1.960 -1.697 1.00 0.32 O ATOM 950 CB CYS A 66 -3.813 -3.153 -4.746 1.00 0.35 C ATOM 951 SG CYS A 66 -5.043 -1.858 -4.477 1.00 0.32 S ATOM 0 H CYS A 66 -4.271 -3.866 -1.815 1.00 0.32 H new ATOM 0 HA CYS A 66 -2.164 -4.132 -3.770 1.00 0.34 H new ATOM 0 HB2 CYS A 66 -3.105 -2.815 -5.503 1.00 0.35 H new ATOM 0 HB3 CYS A 66 -4.311 -4.036 -5.147 1.00 0.35 H new ATOM 956 N PRO A 67 -1.551 -1.586 -3.263 1.00 0.35 N ATOM 957 CA PRO A 67 -0.995 -0.389 -2.614 1.00 0.37 C ATOM 958 C PRO A 67 -1.916 0.833 -2.695 1.00 0.37 C ATOM 959 O PRO A 67 -1.507 1.945 -2.357 1.00 0.46 O ATOM 960 CB PRO A 67 0.304 -0.113 -3.397 1.00 0.41 C ATOM 961 CG PRO A 67 0.531 -1.325 -4.233 1.00 0.42 C ATOM 962 CD PRO A 67 -0.832 -1.891 -4.509 1.00 0.38 C ATOM 0 HA PRO A 67 -0.850 -0.562 -1.548 1.00 0.37 H new ATOM 0 HB2 PRO A 67 0.207 0.778 -4.017 1.00 0.41 H new ATOM 0 HB3 PRO A 67 1.141 0.059 -2.720 1.00 0.41 H new ATOM 0 HG2 PRO A 67 1.044 -1.070 -5.160 1.00 0.42 H new ATOM 0 HG3 PRO A 67 1.157 -2.049 -3.711 1.00 0.42 H new ATOM 0 HD2 PRO A 67 -1.300 -1.422 -5.375 1.00 0.38 H new ATOM 0 HD3 PRO A 67 -0.796 -2.962 -4.707 1.00 0.38 H new ATOM 970 N SER A 68 -3.150 0.632 -3.145 1.00 0.33 N ATOM 971 CA SER A 68 -4.100 1.727 -3.277 1.00 0.33 C ATOM 972 C SER A 68 -4.839 1.966 -1.963 1.00 0.27 C ATOM 973 O SER A 68 -5.622 1.128 -1.512 1.00 0.40 O ATOM 974 CB SER A 68 -5.104 1.433 -4.392 1.00 0.37 C ATOM 975 OG SER A 68 -4.437 1.117 -5.603 1.00 0.46 O ATOM 0 H SER A 68 -3.514 -0.279 -3.424 1.00 0.33 H new ATOM 0 HA SER A 68 -3.542 2.628 -3.531 1.00 0.33 H new ATOM 0 HB2 SER A 68 -5.747 0.603 -4.099 1.00 0.37 H new ATOM 0 HB3 SER A 68 -5.750 2.298 -4.543 1.00 0.37 H new ATOM 0 HG SER A 68 -4.378 0.144 -5.699 1.00 0.46 H new ATOM 981 N SER A 69 -4.581 3.107 -1.354 1.00 0.21 N ATOM 982 CA SER A 69 -5.254 3.489 -0.127 1.00 0.17 C ATOM 983 C SER A 69 -6.065 4.760 -0.354 1.00 0.16 C ATOM 984 O SER A 69 -5.821 5.491 -1.316 1.00 0.18 O ATOM 985 CB SER A 69 -4.222 3.678 0.985 1.00 0.24 C ATOM 986 OG SER A 69 -3.117 4.443 0.532 1.00 0.38 O ATOM 0 H SER A 69 -3.904 3.791 -1.692 1.00 0.21 H new ATOM 0 HA SER A 69 -5.943 2.701 0.177 1.00 0.17 H new ATOM 0 HB2 SER A 69 -4.687 4.175 1.836 1.00 0.24 H new ATOM 0 HB3 SER A 69 -3.876 2.705 1.333 1.00 0.24 H new ATOM 0 HG SER A 69 -3.440 5.262 0.103 1.00 0.38 H new ATOM 992 N PHE A 70 -7.034 5.027 0.514 1.00 0.15 N ATOM 993 CA PHE A 70 -7.937 6.155 0.316 1.00 0.15 C ATOM 994 C PHE A 70 -8.186 6.894 1.624 1.00 0.16 C ATOM 995 O PHE A 70 -8.094 6.313 2.707 1.00 0.18 O ATOM 996 CB PHE A 70 -9.273 5.675 -0.262 1.00 0.16 C ATOM 997 CG PHE A 70 -9.150 4.942 -1.568 1.00 0.18 C ATOM 998 CD1 PHE A 70 -8.858 5.630 -2.733 1.00 0.21 C ATOM 999 CD2 PHE A 70 -9.325 3.569 -1.630 1.00 0.21 C ATOM 1000 CE1 PHE A 70 -8.745 4.964 -3.938 1.00 0.24 C ATOM 1001 CE2 PHE A 70 -9.212 2.897 -2.831 1.00 0.24 C ATOM 1002 CZ PHE A 70 -8.921 3.578 -3.979 1.00 0.25 C ATOM 0 H PHE A 70 -7.214 4.482 1.357 1.00 0.15 H new ATOM 0 HA PHE A 70 -7.463 6.840 -0.387 1.00 0.15 H new ATOM 0 HB2 PHE A 70 -9.757 5.022 0.464 1.00 0.16 H new ATOM 0 HB3 PHE A 70 -9.926 6.536 -0.401 1.00 0.16 H new ATOM 0 HD1 PHE A 70 -8.717 6.700 -2.700 1.00 0.21 H new ATOM 0 HD2 PHE A 70 -9.552 3.018 -0.729 1.00 0.21 H new ATOM 0 HE1 PHE A 70 -8.522 5.511 -4.842 1.00 0.24 H new ATOM 0 HE2 PHE A 70 -9.354 1.827 -2.863 1.00 0.24 H new ATOM 0 HZ PHE A 70 -8.827 3.047 -4.915 1.00 0.25 H new ATOM 1012 N CYS A 71 -8.496 8.181 1.512 1.00 0.18 N ATOM 1013 CA CYS A 71 -8.816 8.998 2.673 1.00 0.22 C ATOM 1014 C CYS A 71 -10.249 8.728 3.120 1.00 0.23 C ATOM 1015 O CYS A 71 -10.965 7.984 2.454 1.00 0.22 O ATOM 1016 CB CYS A 71 -8.635 10.484 2.346 1.00 0.26 C ATOM 1017 SG CYS A 71 -9.821 11.126 1.142 1.00 0.26 S ATOM 0 H CYS A 71 -8.532 8.681 0.624 1.00 0.18 H new ATOM 0 HA CYS A 71 -8.136 8.737 3.484 1.00 0.22 H new ATOM 0 HB2 CYS A 71 -8.721 11.061 3.267 1.00 0.26 H new ATOM 0 HB3 CYS A 71 -7.626 10.641 1.965 1.00 0.26 H new ATOM 1022 N LYS A 72 -10.675 9.334 4.217 1.00 0.29 N ATOM 1023 CA LYS A 72 -12.020 9.109 4.739 1.00 0.33 C ATOM 1024 C LYS A 72 -13.088 9.498 3.714 1.00 0.34 C ATOM 1025 O LYS A 72 -14.154 8.882 3.645 1.00 0.38 O ATOM 1026 CB LYS A 72 -12.216 9.878 6.044 1.00 0.40 C ATOM 1027 CG LYS A 72 -11.294 9.403 7.151 1.00 0.46 C ATOM 1028 CD LYS A 72 -11.410 10.248 8.403 1.00 0.60 C ATOM 1029 CE LYS A 72 -10.392 9.815 9.445 1.00 0.71 C ATOM 1030 NZ LYS A 72 -10.439 10.662 10.663 1.00 1.23 N ATOM 0 H LYS A 72 -10.112 9.985 4.765 1.00 0.29 H new ATOM 0 HA LYS A 72 -12.131 8.044 4.941 1.00 0.33 H new ATOM 0 HB2 LYS A 72 -12.044 10.939 5.864 1.00 0.40 H new ATOM 0 HB3 LYS A 72 -13.251 9.774 6.370 1.00 0.40 H new ATOM 0 HG2 LYS A 72 -11.526 8.366 7.393 1.00 0.46 H new ATOM 0 HG3 LYS A 72 -10.264 9.424 6.796 1.00 0.46 H new ATOM 0 HD2 LYS A 72 -11.257 11.298 8.154 1.00 0.60 H new ATOM 0 HD3 LYS A 72 -12.416 10.161 8.813 1.00 0.60 H new ATOM 0 HE2 LYS A 72 -10.576 8.776 9.720 1.00 0.71 H new ATOM 0 HE3 LYS A 72 -9.392 9.858 9.013 1.00 0.71 H new ATOM 0 HZ1 LYS A 72 -9.728 10.329 11.345 1.00 1.23 H new ATOM 0 HZ2 LYS A 72 -10.238 11.650 10.407 1.00 1.23 H new ATOM 0 HZ3 LYS A 72 -11.385 10.601 11.092 1.00 1.23 H new ATOM 1044 N GLN A 73 -12.786 10.500 2.900 1.00 0.33 N ATOM 1045 CA GLN A 73 -13.702 10.950 1.859 1.00 0.36 C ATOM 1046 C GLN A 73 -13.747 9.973 0.692 1.00 0.31 C ATOM 1047 O GLN A 73 -14.820 9.531 0.280 1.00 0.38 O ATOM 1048 CB GLN A 73 -13.295 12.332 1.348 1.00 0.41 C ATOM 1049 CG GLN A 73 -13.680 13.471 2.278 1.00 1.17 C ATOM 1050 CD GLN A 73 -15.182 13.601 2.449 1.00 1.67 C ATOM 1051 OE1 GLN A 73 -15.851 14.284 1.672 1.00 2.36 O ATOM 1052 NE2 GLN A 73 -15.721 12.968 3.477 1.00 2.20 N ATOM 0 H GLN A 73 -11.909 11.020 2.940 1.00 0.33 H new ATOM 0 HA GLN A 73 -14.696 11.003 2.303 1.00 0.36 H new ATOM 0 HB2 GLN A 73 -12.216 12.349 1.196 1.00 0.41 H new ATOM 0 HB3 GLN A 73 -13.756 12.499 0.375 1.00 0.41 H new ATOM 0 HG2 GLN A 73 -13.219 13.311 3.253 1.00 1.17 H new ATOM 0 HG3 GLN A 73 -13.280 14.406 1.886 1.00 1.17 H new ATOM 0 HE21 GLN A 73 -15.134 12.412 4.098 1.00 2.20 H new ATOM 0 HE22 GLN A 73 -16.724 13.036 3.649 1.00 2.20 H new ATOM 1061 N HIS A 74 -12.580 9.620 0.179 1.00 0.24 N ATOM 1062 CA HIS A 74 -12.501 8.843 -1.055 1.00 0.21 C ATOM 1063 C HIS A 74 -12.461 7.343 -0.787 1.00 0.19 C ATOM 1064 O HIS A 74 -12.154 6.560 -1.681 1.00 0.20 O ATOM 1065 CB HIS A 74 -11.280 9.266 -1.886 1.00 0.22 C ATOM 1066 CG HIS A 74 -11.337 10.696 -2.328 1.00 0.26 C ATOM 1067 ND1 HIS A 74 -10.228 11.510 -2.324 1.00 0.28 N ATOM 1068 CD2 HIS A 74 -12.405 11.411 -2.745 1.00 0.30 C ATOM 1069 CE1 HIS A 74 -10.652 12.697 -2.722 1.00 0.33 C ATOM 1070 NE2 HIS A 74 -11.965 12.684 -2.990 1.00 0.34 N ATOM 0 H HIS A 74 -11.677 9.855 0.592 1.00 0.24 H new ATOM 0 HA HIS A 74 -13.408 9.052 -1.622 1.00 0.21 H new ATOM 0 HB2 HIS A 74 -10.376 9.110 -1.298 1.00 0.22 H new ATOM 0 HB3 HIS A 74 -11.205 8.623 -2.763 1.00 0.22 H new ATOM 0 HD2 HIS A 74 -13.415 11.047 -2.863 1.00 0.30 H new ATOM 0 HE1 HIS A 74 -10.020 13.567 -2.819 1.00 0.33 H new ATOM 0 HE2 HIS A 74 -12.528 13.471 -3.314 1.00 0.34 H new ATOM 1078 N ARG A 75 -12.757 6.943 0.442 1.00 0.20 N ATOM 1079 CA ARG A 75 -12.836 5.523 0.771 1.00 0.20 C ATOM 1080 C ARG A 75 -14.260 5.008 0.609 1.00 0.23 C ATOM 1081 O ARG A 75 -14.472 3.838 0.289 1.00 0.25 O ATOM 1082 CB ARG A 75 -12.351 5.252 2.198 1.00 0.25 C ATOM 1083 CG ARG A 75 -13.280 5.787 3.271 1.00 0.31 C ATOM 1084 CD ARG A 75 -12.752 5.514 4.668 1.00 0.39 C ATOM 1085 NE ARG A 75 -13.651 6.052 5.686 1.00 0.53 N ATOM 1086 CZ ARG A 75 -13.327 6.210 6.969 1.00 0.77 C ATOM 1087 NH1 ARG A 75 -12.138 5.821 7.413 1.00 0.98 N ATOM 1088 NH2 ARG A 75 -14.197 6.744 7.812 1.00 0.92 N ATOM 0 H ARG A 75 -12.945 7.573 1.222 1.00 0.20 H new ATOM 0 HA ARG A 75 -12.183 4.994 0.077 1.00 0.20 H new ATOM 0 HB2 ARG A 75 -12.234 4.177 2.334 1.00 0.25 H new ATOM 0 HB3 ARG A 75 -11.365 5.699 2.328 1.00 0.25 H new ATOM 0 HG2 ARG A 75 -13.410 6.861 3.136 1.00 0.31 H new ATOM 0 HG3 ARG A 75 -14.264 5.331 3.160 1.00 0.31 H new ATOM 0 HD2 ARG A 75 -12.636 4.440 4.812 1.00 0.39 H new ATOM 0 HD3 ARG A 75 -11.763 5.959 4.780 1.00 0.39 H new ATOM 0 HE ARG A 75 -14.590 6.325 5.395 1.00 0.53 H new ATOM 0 HH11 ARG A 75 -11.467 5.399 6.771 1.00 0.98 H new ATOM 0 HH12 ARG A 75 -11.895 5.944 8.396 1.00 0.98 H new ATOM 0 HH21 ARG A 75 -15.116 7.035 7.480 1.00 0.92 H new ATOM 0 HH22 ARG A 75 -13.948 6.864 8.794 1.00 0.92 H new ATOM 1102 N GLU A 76 -15.234 5.888 0.815 1.00 0.27 N ATOM 1103 CA GLU A 76 -16.631 5.490 0.778 1.00 0.34 C ATOM 1104 C GLU A 76 -17.020 5.077 -0.634 1.00 0.32 C ATOM 1105 O GLU A 76 -16.840 5.842 -1.581 1.00 0.34 O ATOM 1106 CB GLU A 76 -17.529 6.631 1.254 1.00 0.43 C ATOM 1107 CG GLU A 76 -17.199 7.136 2.652 1.00 0.55 C ATOM 1108 CD GLU A 76 -17.199 6.042 3.699 1.00 1.02 C ATOM 1109 OE1 GLU A 76 -18.107 5.183 3.665 1.00 1.21 O ATOM 1110 OE2 GLU A 76 -16.296 6.028 4.562 1.00 1.65 O ATOM 0 H GLU A 76 -15.080 6.878 1.008 1.00 0.27 H new ATOM 0 HA GLU A 76 -16.765 4.641 1.448 1.00 0.34 H new ATOM 0 HB2 GLU A 76 -17.449 7.460 0.551 1.00 0.43 H new ATOM 0 HB3 GLU A 76 -18.566 6.296 1.235 1.00 0.43 H new ATOM 0 HG2 GLU A 76 -16.220 7.614 2.636 1.00 0.55 H new ATOM 0 HG3 GLU A 76 -17.923 7.900 2.935 1.00 0.55 H new ATOM 1117 N GLY A 77 -17.527 3.860 -0.775 1.00 0.37 N ATOM 1118 CA GLY A 77 -17.918 3.365 -2.083 1.00 0.42 C ATOM 1119 C GLY A 77 -16.736 2.902 -2.920 1.00 0.40 C ATOM 1120 O GLY A 77 -16.914 2.209 -3.922 1.00 0.58 O ATOM 0 H GLY A 77 -17.675 3.205 -0.007 1.00 0.37 H new ATOM 0 HA2 GLY A 77 -18.615 2.536 -1.958 1.00 0.42 H new ATOM 0 HA3 GLY A 77 -18.450 4.151 -2.619 1.00 0.42 H new ATOM 1124 N MET A 78 -15.531 3.284 -2.517 1.00 0.29 N ATOM 1125 CA MET A 78 -14.326 2.906 -3.249 1.00 0.27 C ATOM 1126 C MET A 78 -13.651 1.707 -2.599 1.00 0.24 C ATOM 1127 O MET A 78 -13.124 0.835 -3.288 1.00 0.28 O ATOM 1128 CB MET A 78 -13.340 4.078 -3.333 1.00 0.29 C ATOM 1129 CG MET A 78 -13.860 5.264 -4.136 1.00 0.35 C ATOM 1130 SD MET A 78 -14.235 4.826 -5.843 1.00 0.58 S ATOM 1131 CE MET A 78 -14.792 6.406 -6.477 1.00 1.51 C ATOM 0 H MET A 78 -15.361 3.854 -1.689 1.00 0.29 H new ATOM 0 HA MET A 78 -14.628 2.634 -4.260 1.00 0.27 H new ATOM 0 HB2 MET A 78 -13.100 4.412 -2.323 1.00 0.29 H new ATOM 0 HB3 MET A 78 -12.411 3.727 -3.782 1.00 0.29 H new ATOM 0 HG2 MET A 78 -14.758 5.657 -3.659 1.00 0.35 H new ATOM 0 HG3 MET A 78 -13.117 6.062 -4.123 1.00 0.35 H new ATOM 0 HE1 MET A 78 -15.062 6.302 -7.528 1.00 1.51 H new ATOM 0 HE2 MET A 78 -15.661 6.740 -5.910 1.00 1.51 H new ATOM 0 HE3 MET A 78 -13.992 7.140 -6.380 1.00 1.51 H new ATOM 1141 N LEU A 79 -13.654 1.672 -1.273 1.00 0.24 N ATOM 1142 CA LEU A 79 -13.108 0.540 -0.549 1.00 0.22 C ATOM 1143 C LEU A 79 -14.228 -0.151 0.220 1.00 0.25 C ATOM 1144 O LEU A 79 -15.091 0.511 0.801 1.00 0.32 O ATOM 1145 CB LEU A 79 -12.016 1.027 0.411 1.00 0.24 C ATOM 1146 CG LEU A 79 -11.114 -0.055 1.007 1.00 0.22 C ATOM 1147 CD1 LEU A 79 -10.298 -0.742 -0.074 1.00 0.21 C ATOM 1148 CD2 LEU A 79 -10.193 0.550 2.048 1.00 0.27 C ATOM 0 H LEU A 79 -14.028 2.414 -0.681 1.00 0.24 H new ATOM 0 HA LEU A 79 -12.667 -0.172 -1.247 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -11.388 1.744 -0.118 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -12.494 1.565 1.230 1.00 0.24 H new ATOM 0 HG LEU A 79 -11.749 -0.803 1.481 1.00 0.22 H new ATOM 0 HD11 LEU A 79 -9.666 -1.506 0.378 1.00 0.21 H new ATOM 0 HD12 LEU A 79 -10.969 -1.207 -0.796 1.00 0.21 H new ATOM 0 HD13 LEU A 79 -9.673 -0.007 -0.580 1.00 0.21 H new ATOM 0 HD21 LEU A 79 -9.555 -0.229 2.466 1.00 0.27 H new ATOM 0 HD22 LEU A 79 -9.573 1.317 1.584 1.00 0.27 H new ATOM 0 HD23 LEU A 79 -10.788 0.998 2.844 1.00 0.27 H new ATOM 1160 N PHE A 80 -14.208 -1.473 0.232 1.00 0.24 N ATOM 1161 CA PHE A 80 -15.240 -2.255 0.894 1.00 0.31 C ATOM 1162 C PHE A 80 -14.650 -3.558 1.409 1.00 0.31 C ATOM 1163 O PHE A 80 -13.547 -3.937 1.027 1.00 0.26 O ATOM 1164 CB PHE A 80 -16.402 -2.534 -0.079 1.00 0.37 C ATOM 1165 CG PHE A 80 -15.983 -3.188 -1.375 1.00 0.37 C ATOM 1166 CD1 PHE A 80 -15.689 -2.422 -2.495 1.00 0.36 C ATOM 1167 CD2 PHE A 80 -15.885 -4.570 -1.472 1.00 0.42 C ATOM 1168 CE1 PHE A 80 -15.308 -3.022 -3.680 1.00 0.40 C ATOM 1169 CE2 PHE A 80 -15.505 -5.169 -2.656 1.00 0.46 C ATOM 1170 CZ PHE A 80 -15.209 -4.389 -3.762 1.00 0.45 C ATOM 0 H PHE A 80 -13.481 -2.032 -0.214 1.00 0.24 H new ATOM 0 HA PHE A 80 -15.629 -1.689 1.740 1.00 0.31 H new ATOM 0 HB2 PHE A 80 -17.131 -3.174 0.418 1.00 0.37 H new ATOM 0 HB3 PHE A 80 -16.905 -1.594 -0.306 1.00 0.37 H new ATOM 0 HD1 PHE A 80 -15.759 -1.346 -2.439 1.00 0.36 H new ATOM 0 HD2 PHE A 80 -16.109 -5.183 -0.611 1.00 0.42 H new ATOM 0 HE1 PHE A 80 -15.087 -2.414 -4.545 1.00 0.40 H new ATOM 0 HE2 PHE A 80 -15.438 -6.245 -2.720 1.00 0.46 H new ATOM 0 HZ PHE A 80 -14.901 -4.855 -4.686 1.00 0.45 H new ATOM 1180 N ILE A 81 -15.378 -4.238 2.277 1.00 0.38 N ATOM 1181 CA ILE A 81 -14.927 -5.517 2.800 1.00 0.38 C ATOM 1182 C ILE A 81 -15.252 -6.641 1.826 1.00 0.42 C ATOM 1183 O ILE A 81 -16.401 -6.810 1.413 1.00 0.47 O ATOM 1184 CB ILE A 81 -15.549 -5.823 4.181 1.00 0.45 C ATOM 1185 CG1 ILE A 81 -14.950 -4.911 5.251 1.00 0.46 C ATOM 1186 CG2 ILE A 81 -15.341 -7.281 4.560 1.00 0.48 C ATOM 1187 CD1 ILE A 81 -13.480 -5.165 5.514 1.00 0.44 C ATOM 0 H ILE A 81 -16.282 -3.928 2.634 1.00 0.38 H new ATOM 0 HA ILE A 81 -13.846 -5.451 2.924 1.00 0.38 H new ATOM 0 HB ILE A 81 -16.621 -5.634 4.117 1.00 0.45 H new ATOM 0 HG12 ILE A 81 -15.081 -3.873 4.946 1.00 0.46 H new ATOM 0 HG13 ILE A 81 -15.504 -5.043 6.180 1.00 0.46 H new ATOM 0 HG21 ILE A 81 -15.788 -7.471 5.536 1.00 0.48 H new ATOM 0 HG22 ILE A 81 -15.812 -7.922 3.815 1.00 0.48 H new ATOM 0 HG23 ILE A 81 -14.274 -7.497 4.602 1.00 0.48 H new ATOM 0 HD11 ILE A 81 -13.125 -4.481 6.284 1.00 0.44 H new ATOM 0 HD12 ILE A 81 -13.343 -6.193 5.850 1.00 0.44 H new ATOM 0 HD13 ILE A 81 -12.913 -5.004 4.597 1.00 0.44 H new ATOM 1199 N SER A 82 -14.227 -7.390 1.456 1.00 0.41 N ATOM 1200 CA SER A 82 -14.384 -8.524 0.569 1.00 0.47 C ATOM 1201 C SER A 82 -14.965 -9.701 1.335 1.00 0.54 C ATOM 1202 O SER A 82 -14.443 -10.090 2.378 1.00 0.61 O ATOM 1203 CB SER A 82 -13.031 -8.906 -0.041 1.00 0.57 C ATOM 1204 OG SER A 82 -13.137 -10.064 -0.852 1.00 0.79 O ATOM 0 H SER A 82 -13.268 -7.228 1.762 1.00 0.41 H new ATOM 0 HA SER A 82 -15.067 -8.254 -0.237 1.00 0.47 H new ATOM 0 HB2 SER A 82 -12.652 -8.076 -0.637 1.00 0.57 H new ATOM 0 HB3 SER A 82 -12.308 -9.083 0.755 1.00 0.57 H new ATOM 0 HG SER A 82 -12.259 -10.281 -1.228 1.00 0.79 H new ATOM 1210 N LYS A 83 -16.039 -10.269 0.816 1.00 0.65 N ATOM 1211 CA LYS A 83 -16.702 -11.387 1.474 1.00 0.80 C ATOM 1212 C LYS A 83 -15.881 -12.664 1.337 1.00 0.81 C ATOM 1213 O LYS A 83 -16.239 -13.708 1.885 1.00 0.91 O ATOM 1214 CB LYS A 83 -18.100 -11.598 0.900 1.00 0.98 C ATOM 1215 CG LYS A 83 -19.007 -10.389 1.065 1.00 1.06 C ATOM 1216 CD LYS A 83 -20.457 -10.723 0.755 1.00 1.34 C ATOM 1217 CE LYS A 83 -21.019 -11.755 1.724 1.00 2.08 C ATOM 1218 NZ LYS A 83 -20.842 -11.348 3.145 1.00 2.62 N ATOM 0 H LYS A 83 -16.473 -9.976 -0.059 1.00 0.65 H new ATOM 0 HA LYS A 83 -16.791 -11.146 2.533 1.00 0.80 H new ATOM 0 HB2 LYS A 83 -18.017 -11.840 -0.160 1.00 0.98 H new ATOM 0 HB3 LYS A 83 -18.560 -12.458 1.388 1.00 0.98 H new ATOM 0 HG2 LYS A 83 -18.931 -10.014 2.086 1.00 1.06 H new ATOM 0 HG3 LYS A 83 -18.670 -9.589 0.406 1.00 1.06 H new ATOM 0 HD2 LYS A 83 -21.058 -9.815 0.803 1.00 1.34 H new ATOM 0 HD3 LYS A 83 -20.533 -11.102 -0.264 1.00 1.34 H new ATOM 0 HE2 LYS A 83 -22.079 -11.903 1.520 1.00 2.08 H new ATOM 0 HE3 LYS A 83 -20.526 -12.713 1.558 1.00 2.08 H new ATOM 0 HZ1 LYS A 83 -21.410 -11.968 3.757 1.00 2.62 H new ATOM 0 HZ2 LYS A 83 -19.839 -11.428 3.407 1.00 2.62 H new ATOM 0 HZ3 LYS A 83 -21.153 -10.363 3.265 1.00 2.62 H new ATOM 1232 N LEU A 84 -14.783 -12.574 0.605 1.00 0.76 N ATOM 1233 CA LEU A 84 -13.916 -13.716 0.385 1.00 0.81 C ATOM 1234 C LEU A 84 -12.963 -13.906 1.563 1.00 0.76 C ATOM 1235 O LEU A 84 -12.924 -14.969 2.178 1.00 0.81 O ATOM 1236 CB LEU A 84 -13.121 -13.523 -0.906 1.00 0.90 C ATOM 1237 CG LEU A 84 -13.962 -13.254 -2.159 1.00 1.05 C ATOM 1238 CD1 LEU A 84 -13.065 -13.036 -3.367 1.00 1.34 C ATOM 1239 CD2 LEU A 84 -14.930 -14.401 -2.416 1.00 1.25 C ATOM 0 H LEU A 84 -14.471 -11.715 0.151 1.00 0.76 H new ATOM 0 HA LEU A 84 -14.535 -14.609 0.296 1.00 0.81 H new ATOM 0 HB2 LEU A 84 -12.430 -12.692 -0.767 1.00 0.90 H new ATOM 0 HB3 LEU A 84 -12.517 -14.414 -1.078 1.00 0.90 H new ATOM 0 HG LEU A 84 -14.543 -12.347 -1.991 1.00 1.05 H new ATOM 0 HD11 LEU A 84 -13.680 -12.847 -4.247 1.00 1.34 H new ATOM 0 HD12 LEU A 84 -12.415 -12.180 -3.187 1.00 1.34 H new ATOM 0 HD13 LEU A 84 -12.457 -13.925 -3.534 1.00 1.34 H new ATOM 0 HD21 LEU A 84 -15.517 -14.189 -3.310 1.00 1.25 H new ATOM 0 HD22 LEU A 84 -14.370 -15.325 -2.561 1.00 1.25 H new ATOM 0 HD23 LEU A 84 -15.598 -14.512 -1.562 1.00 1.25 H new ATOM 1251 N ASP A 85 -12.209 -12.861 1.886 1.00 0.72 N ATOM 1252 CA ASP A 85 -11.188 -12.954 2.930 1.00 0.75 C ATOM 1253 C ASP A 85 -11.479 -12.012 4.091 1.00 0.66 C ATOM 1254 O ASP A 85 -10.742 -11.989 5.078 1.00 0.70 O ATOM 1255 CB ASP A 85 -9.799 -12.629 2.367 1.00 0.85 C ATOM 1256 CG ASP A 85 -9.350 -13.595 1.291 1.00 1.04 C ATOM 1257 OD1 ASP A 85 -8.458 -14.426 1.565 1.00 1.47 O ATOM 1258 OD2 ASP A 85 -9.880 -13.525 0.165 1.00 1.42 O ATOM 0 H ASP A 85 -12.282 -11.944 1.445 1.00 0.72 H new ATOM 0 HA ASP A 85 -11.207 -13.981 3.296 1.00 0.75 H new ATOM 0 HB2 ASP A 85 -9.807 -11.618 1.958 1.00 0.85 H new ATOM 0 HB3 ASP A 85 -9.073 -12.638 3.180 1.00 0.85 H new ATOM 1263 N GLY A 86 -12.541 -11.229 3.972 1.00 0.59 N ATOM 1264 CA GLY A 86 -12.842 -10.226 4.978 1.00 0.56 C ATOM 1265 C GLY A 86 -11.863 -9.073 4.922 1.00 0.48 C ATOM 1266 O GLY A 86 -11.746 -8.288 5.861 1.00 0.50 O ATOM 0 H GLY A 86 -13.202 -11.269 3.196 1.00 0.59 H new ATOM 0 HA2 GLY A 86 -13.855 -9.852 4.829 1.00 0.56 H new ATOM 0 HA3 GLY A 86 -12.813 -10.682 5.968 1.00 0.56 H new ATOM 1270 N ARG A 87 -11.155 -8.985 3.809 1.00 0.43 N ATOM 1271 CA ARG A 87 -10.146 -7.962 3.607 1.00 0.39 C ATOM 1272 C ARG A 87 -10.738 -6.758 2.900 1.00 0.33 C ATOM 1273 O ARG A 87 -11.694 -6.888 2.138 1.00 0.36 O ATOM 1274 CB ARG A 87 -8.998 -8.524 2.775 1.00 0.46 C ATOM 1275 CG ARG A 87 -8.083 -9.463 3.540 1.00 0.58 C ATOM 1276 CD ARG A 87 -6.970 -9.980 2.649 1.00 0.96 C ATOM 1277 NE ARG A 87 -5.979 -10.761 3.386 1.00 1.25 N ATOM 1278 CZ ARG A 87 -5.123 -11.605 2.807 1.00 1.81 C ATOM 1279 NH1 ARG A 87 -5.197 -11.844 1.501 1.00 2.25 N ATOM 1280 NH2 ARG A 87 -4.204 -12.224 3.535 1.00 2.10 N ATOM 0 H ARG A 87 -11.264 -9.622 3.020 1.00 0.43 H new ATOM 0 HA ARG A 87 -9.774 -7.649 4.583 1.00 0.39 H new ATOM 0 HB2 ARG A 87 -9.411 -9.054 1.917 1.00 0.46 H new ATOM 0 HB3 ARG A 87 -8.407 -7.696 2.384 1.00 0.46 H new ATOM 0 HG2 ARG A 87 -7.656 -8.943 4.397 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -8.660 -10.301 3.931 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -7.399 -10.596 1.859 1.00 0.96 H new ATOM 0 HD3 ARG A 87 -6.476 -9.138 2.164 1.00 0.96 H new ATOM 0 HE ARG A 87 -5.939 -10.655 4.400 1.00 1.25 H new ATOM 0 HH11 ARG A 87 -5.910 -11.381 0.937 1.00 2.25 H new ATOM 0 HH12 ARG A 87 -4.540 -12.490 1.063 1.00 2.25 H new ATOM 0 HH21 ARG A 87 -4.150 -12.055 4.540 1.00 2.10 H new ATOM 0 HH22 ARG A 87 -3.551 -12.869 3.091 1.00 2.10 H new ATOM 1294 N LEU A 88 -10.171 -5.595 3.156 1.00 0.28 N ATOM 1295 CA LEU A 88 -10.581 -4.384 2.470 1.00 0.26 C ATOM 1296 C LEU A 88 -10.140 -4.436 1.016 1.00 0.24 C ATOM 1297 O LEU A 88 -8.947 -4.520 0.722 1.00 0.28 O ATOM 1298 CB LEU A 88 -9.991 -3.150 3.148 1.00 0.27 C ATOM 1299 CG LEU A 88 -10.585 -2.803 4.509 1.00 0.35 C ATOM 1300 CD1 LEU A 88 -9.682 -1.831 5.247 1.00 0.44 C ATOM 1301 CD2 LEU A 88 -11.973 -2.201 4.347 1.00 0.44 C ATOM 0 H LEU A 88 -9.423 -5.463 3.836 1.00 0.28 H new ATOM 0 HA LEU A 88 -11.668 -4.315 2.515 1.00 0.26 H new ATOM 0 HB2 LEU A 88 -8.918 -3.300 3.267 1.00 0.27 H new ATOM 0 HB3 LEU A 88 -10.122 -2.295 2.485 1.00 0.27 H new ATOM 0 HG LEU A 88 -10.667 -3.721 5.091 1.00 0.35 H new ATOM 0 HD11 LEU A 88 -10.119 -1.593 6.217 1.00 0.44 H new ATOM 0 HD12 LEU A 88 -8.701 -2.284 5.393 1.00 0.44 H new ATOM 0 HD13 LEU A 88 -9.576 -0.917 4.662 1.00 0.44 H new ATOM 0 HD21 LEU A 88 -12.382 -1.960 5.328 1.00 0.44 H new ATOM 0 HD22 LEU A 88 -11.908 -1.293 3.747 1.00 0.44 H new ATOM 0 HD23 LEU A 88 -12.625 -2.919 3.849 1.00 0.44 H new ATOM 1313 N SER A 89 -11.104 -4.400 0.117 1.00 0.22 N ATOM 1314 CA SER A 89 -10.836 -4.486 -1.304 1.00 0.23 C ATOM 1315 C SER A 89 -11.392 -3.256 -2.013 1.00 0.21 C ATOM 1316 O SER A 89 -12.501 -2.808 -1.720 1.00 0.22 O ATOM 1317 CB SER A 89 -11.453 -5.761 -1.882 1.00 0.28 C ATOM 1318 OG SER A 89 -11.068 -5.950 -3.232 1.00 0.55 O ATOM 0 H SER A 89 -12.093 -4.311 0.351 1.00 0.22 H new ATOM 0 HA SER A 89 -9.758 -4.523 -1.460 1.00 0.23 H new ATOM 0 HB2 SER A 89 -11.141 -6.620 -1.288 1.00 0.28 H new ATOM 0 HB3 SER A 89 -12.540 -5.705 -1.815 1.00 0.28 H new ATOM 0 HG SER A 89 -10.462 -6.718 -3.295 1.00 0.55 H new ATOM 1324 N CYS A 90 -10.598 -2.691 -2.911 1.00 0.22 N ATOM 1325 CA CYS A 90 -10.998 -1.497 -3.639 1.00 0.24 C ATOM 1326 C CYS A 90 -11.772 -1.872 -4.904 1.00 0.27 C ATOM 1327 O CYS A 90 -11.680 -3.000 -5.393 1.00 0.31 O ATOM 1328 CB CYS A 90 -9.761 -0.665 -4.005 1.00 0.25 C ATOM 1329 SG CYS A 90 -8.685 -1.438 -5.233 1.00 0.28 S ATOM 0 H CYS A 90 -9.671 -3.042 -3.153 1.00 0.22 H new ATOM 0 HA CYS A 90 -11.650 -0.903 -2.999 1.00 0.24 H new ATOM 0 HB2 CYS A 90 -10.088 0.304 -4.383 1.00 0.25 H new ATOM 0 HB3 CYS A 90 -9.184 -0.476 -3.100 1.00 0.25 H new ATOM 1334 N THR A 91 -12.522 -0.909 -5.434 1.00 0.30 N ATOM 1335 CA THR A 91 -13.328 -1.111 -6.634 1.00 0.36 C ATOM 1336 C THR A 91 -12.467 -1.196 -7.893 1.00 0.43 C ATOM 1337 O THR A 91 -12.981 -1.368 -8.998 1.00 0.54 O ATOM 1338 CB THR A 91 -14.347 0.028 -6.794 1.00 0.39 C ATOM 1339 OG1 THR A 91 -13.703 1.292 -6.567 1.00 0.43 O ATOM 1340 CG2 THR A 91 -15.505 -0.139 -5.828 1.00 0.38 C ATOM 0 H THR A 91 -12.588 0.031 -5.044 1.00 0.30 H new ATOM 0 HA THR A 91 -13.850 -2.060 -6.512 1.00 0.36 H new ATOM 0 HB THR A 91 -14.741 -0.004 -7.810 1.00 0.39 H new ATOM 0 HG1 THR A 91 -14.356 2.015 -6.671 1.00 0.43 H new ATOM 0 HG21 THR A 91 -16.212 0.680 -5.962 1.00 0.38 H new ATOM 0 HG22 THR A 91 -16.007 -1.087 -6.022 1.00 0.38 H new ATOM 0 HG23 THR A 91 -15.129 -0.130 -4.805 1.00 0.38 H new ATOM 1348 N GLU A 92 -11.158 -1.078 -7.719 1.00 0.43 N ATOM 1349 CA GLU A 92 -10.226 -1.170 -8.831 1.00 0.52 C ATOM 1350 C GLU A 92 -9.879 -2.625 -9.125 1.00 0.51 C ATOM 1351 O GLU A 92 -9.124 -2.921 -10.050 1.00 0.63 O ATOM 1352 CB GLU A 92 -8.959 -0.370 -8.528 1.00 0.56 C ATOM 1353 CG GLU A 92 -9.198 1.130 -8.433 1.00 0.66 C ATOM 1354 CD GLU A 92 -9.651 1.728 -9.751 1.00 1.38 C ATOM 1355 OE1 GLU A 92 -10.874 1.738 -10.012 1.00 2.13 O ATOM 1356 OE2 GLU A 92 -8.793 2.199 -10.529 1.00 1.54 O ATOM 0 H GLU A 92 -10.717 -0.918 -6.813 1.00 0.43 H new ATOM 0 HA GLU A 92 -10.703 -0.748 -9.715 1.00 0.52 H new ATOM 0 HB2 GLU A 92 -8.532 -0.722 -7.589 1.00 0.56 H new ATOM 0 HB3 GLU A 92 -8.221 -0.564 -9.306 1.00 0.56 H new ATOM 0 HG2 GLU A 92 -9.951 1.328 -7.670 1.00 0.66 H new ATOM 0 HG3 GLU A 92 -8.280 1.622 -8.110 1.00 0.66 H new ATOM 1363 N HIS A 93 -10.441 -3.529 -8.333 1.00 0.49 N ATOM 1364 CA HIS A 93 -10.241 -4.957 -8.540 1.00 0.53 C ATOM 1365 C HIS A 93 -11.466 -5.554 -9.209 1.00 0.67 C ATOM 1366 O HIS A 93 -12.090 -6.486 -8.698 1.00 0.85 O ATOM 1367 CB HIS A 93 -9.961 -5.675 -7.220 1.00 0.45 C ATOM 1368 CG HIS A 93 -8.744 -5.179 -6.509 1.00 0.37 C ATOM 1369 ND1 HIS A 93 -7.672 -4.583 -7.133 1.00 0.39 N ATOM 1370 CD2 HIS A 93 -8.447 -5.195 -5.191 1.00 0.33 C ATOM 1371 CE1 HIS A 93 -6.778 -4.259 -6.191 1.00 0.36 C ATOM 1372 NE2 HIS A 93 -7.199 -4.608 -4.992 1.00 0.32 N ATOM 0 H HIS A 93 -11.040 -3.298 -7.540 1.00 0.49 H new ATOM 0 HA HIS A 93 -9.372 -5.091 -9.185 1.00 0.53 H new ATOM 0 HB2 HIS A 93 -10.825 -5.561 -6.565 1.00 0.45 H new ATOM 0 HB3 HIS A 93 -9.847 -6.741 -7.414 1.00 0.45 H new ATOM 0 HD1 HIS A 93 -7.576 -4.418 -8.135 1.00 0.39 H new ATOM 0 HD2 HIS A 93 -9.078 -5.599 -4.413 1.00 0.33 H new ATOM 0 HE1 HIS A 93 -5.833 -3.774 -6.388 1.00 0.36 H new ATOM 1380 N ASP A 94 -11.815 -4.983 -10.344 1.00 0.83 N ATOM 1381 CA ASP A 94 -12.967 -5.423 -11.107 1.00 1.02 C ATOM 1382 C ASP A 94 -12.549 -6.498 -12.102 1.00 1.33 C ATOM 1383 O ASP A 94 -12.726 -7.695 -11.800 1.00 1.92 O ATOM 1384 CB ASP A 94 -13.591 -4.231 -11.832 1.00 1.54 C ATOM 1385 CG ASP A 94 -14.860 -4.587 -12.576 1.00 2.05 C ATOM 1386 OD1 ASP A 94 -15.927 -4.680 -11.935 1.00 2.40 O ATOM 1387 OD2 ASP A 94 -14.793 -4.795 -13.804 1.00 2.65 O ATOM 1388 OXT ASP A 94 -12.004 -6.145 -13.170 1.00 1.91 O ATOM 0 H ASP A 94 -11.310 -4.202 -10.763 1.00 0.83 H new ATOM 0 HA ASP A 94 -13.709 -5.847 -10.431 1.00 1.02 H new ATOM 0 HB2 ASP A 94 -13.810 -3.446 -11.108 1.00 1.54 H new ATOM 0 HB3 ASP A 94 -12.867 -3.822 -12.536 1.00 1.54 H new TER 1393 ASP A 94 HETATM 1394 ZN ZN A 101 7.162 -4.821 -7.073 1.00 0.35 ZN HETATM 1395 ZN ZN A 102 4.036 2.573 5.020 1.00 0.29 ZN HETATM 1396 ZN ZN A 103 -8.822 11.308 -0.917 1.00 0.26 ZN HETATM 1397 ZN ZN A 104 -7.126 -2.775 -4.205 1.00 0.27 ZN