USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 607 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 GLN : amide:sc= -1.89 K(o=-15,f=-11) USER MOD Set 1.2: A 64 HIS : no HE2:sc= -12.8! C(o=-15!,f=-16!) USER MOD Set 2.1: A 27 ASN : amide:sc= -5.47 K(o=-5.8,f=-3) USER MOD Set 2.2: A 38 LYS NZ :NH3+ -130:sc= -0.317 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-0.45) USER MOD Single : A 4 MET CE :methyl -120:sc= -1.76 (180deg=-6.73!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 39:sc= -1.89! USER MOD Single : A 10 THR OG1 : rot -91:sc= -0.305 USER MOD Single : A 13 MET CE :methyl -164:sc= -2.79! (180deg=-3.58!) USER MOD Single : A 17 ASN : amide:sc= -1.21 K(o=-1.2,f=-5.7!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 148:sc= -0.406 (180deg=-1.76!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -146:sc= -3.82! USER MOD Single : A 37 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.208) USER MOD Single : A 42 MET CE :methyl -169:sc= -5.6! (180deg=-6.51!) USER MOD Single : A 44 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.145) USER MOD Single : A 47 LYS NZ :NH3+ -159:sc= -0.0165 (180deg=-0.229) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 138:sc= 0.145 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot -37:sc= -0.474! USER MOD Single : A 67 MET CE :methyl -121:sc= -4.7! (180deg=-6.63!) USER MOD Single : A 69 ASN : amide:sc= -1.25 K(o=-1.3,f=-2) USER MOD Single : A 70 TYR OH : rot -36:sc= 0.0506 USER MOD Single : A 71 LYS NZ :NH3+ -153:sc= -0.188 (180deg=-0.849) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -15.446 -9.676 7.123 1.00 0.00 N ATOM 2 CA SER A 2 -15.811 -10.798 7.980 1.00 0.00 C ATOM 3 C SER A 2 -14.661 -11.794 8.094 1.00 0.00 C ATOM 4 O SER A 2 -14.454 -12.622 7.207 1.00 0.00 O ATOM 5 CB SER A 2 -17.056 -11.500 7.434 1.00 0.00 C ATOM 6 OG SER A 2 -17.899 -11.937 8.487 1.00 0.00 O ATOM 0 HA SER A 2 -16.029 -10.407 8.974 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.605 -10.819 6.783 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.758 -12.353 6.824 1.00 0.00 H new ATOM 0 HG SER A 2 -18.688 -12.381 8.112 1.00 0.00 H new ATOM 12 N HIS A 3 -13.917 -11.706 9.191 1.00 0.00 N ATOM 13 CA HIS A 3 -12.787 -12.599 9.421 1.00 0.00 C ATOM 14 C HIS A 3 -12.154 -12.336 10.784 1.00 0.00 C ATOM 15 O HIS A 3 -12.680 -11.563 11.584 1.00 0.00 O ATOM 16 CB HIS A 3 -11.741 -12.427 8.317 1.00 0.00 C ATOM 17 CG HIS A 3 -11.111 -11.069 8.292 1.00 0.00 C ATOM 18 ND1 HIS A 3 -11.642 -10.006 7.591 1.00 0.00 N ATOM 19 CD2 HIS A 3 -9.990 -10.601 8.889 1.00 0.00 C ATOM 20 CE1 HIS A 3 -10.873 -8.944 7.757 1.00 0.00 C ATOM 21 NE2 HIS A 3 -9.864 -9.279 8.540 1.00 0.00 N ATOM 0 H HIS A 3 -14.076 -11.026 9.934 1.00 0.00 H new ATOM 0 HA HIS A 3 -13.157 -13.624 9.405 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -10.961 -13.177 8.447 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -12.209 -12.618 7.352 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -9.319 -11.163 9.522 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -11.041 -7.968 7.326 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -9.113 -8.657 8.837 1.00 0.00 H new ATOM 30 N MET A 4 -11.022 -12.983 11.041 1.00 0.00 N ATOM 31 CA MET A 4 -10.316 -12.818 12.308 1.00 0.00 C ATOM 32 C MET A 4 -9.957 -11.353 12.546 1.00 0.00 C ATOM 33 O MET A 4 -10.036 -10.531 11.634 1.00 0.00 O ATOM 34 CB MET A 4 -9.049 -13.676 12.324 1.00 0.00 C ATOM 35 CG MET A 4 -9.261 -15.066 12.899 1.00 0.00 C ATOM 36 SD MET A 4 -9.880 -16.238 11.675 1.00 0.00 S ATOM 37 CE MET A 4 -10.377 -17.597 12.729 1.00 0.00 C ATOM 0 H MET A 4 -10.573 -13.627 10.389 1.00 0.00 H new ATOM 0 HA MET A 4 -10.978 -13.144 13.110 1.00 0.00 H new ATOM 0 HB2 MET A 4 -8.670 -13.767 11.306 1.00 0.00 H new ATOM 0 HB3 MET A 4 -8.282 -13.165 12.906 1.00 0.00 H new ATOM 0 HG2 MET A 4 -8.319 -15.434 13.305 1.00 0.00 H new ATOM 0 HG3 MET A 4 -9.965 -15.008 13.729 1.00 0.00 H new ATOM 0 HE1 MET A 4 -9.817 -18.492 12.458 1.00 0.00 H new ATOM 0 HE2 MET A 4 -10.174 -17.344 13.770 1.00 0.00 H new ATOM 0 HE3 MET A 4 -11.443 -17.784 12.603 1.00 0.00 H new ATOM 47 N PRO A 5 -9.558 -11.008 13.783 1.00 0.00 N ATOM 48 CA PRO A 5 -9.187 -9.643 14.149 1.00 0.00 C ATOM 49 C PRO A 5 -7.696 -9.378 13.965 1.00 0.00 C ATOM 50 O PRO A 5 -7.143 -8.500 14.622 1.00 0.00 O ATOM 51 CB PRO A 5 -9.542 -9.622 15.632 1.00 0.00 C ATOM 52 CG PRO A 5 -9.141 -10.985 16.093 1.00 0.00 C ATOM 53 CD PRO A 5 -9.437 -11.918 14.940 1.00 0.00 C ATOM 0 HA PRO A 5 -9.684 -8.887 13.540 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.001 -8.840 16.165 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.605 -9.439 15.790 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.084 -11.013 16.356 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -9.699 -11.276 16.983 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -8.638 -12.645 14.797 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -10.355 -12.482 15.105 1.00 0.00 H new ATOM 61 N LYS A 6 -7.072 -10.144 13.058 1.00 0.00 N ATOM 62 CA LYS A 6 -5.631 -10.041 12.739 1.00 0.00 C ATOM 63 C LYS A 6 -4.907 -8.983 13.574 1.00 0.00 C ATOM 64 O LYS A 6 -4.224 -8.113 13.034 1.00 0.00 O ATOM 65 CB LYS A 6 -5.449 -9.735 11.251 1.00 0.00 C ATOM 66 CG LYS A 6 -4.259 -10.442 10.625 1.00 0.00 C ATOM 67 CD LYS A 6 -4.602 -11.868 10.227 1.00 0.00 C ATOM 68 CE LYS A 6 -3.444 -12.816 10.495 1.00 0.00 C ATOM 69 NZ LYS A 6 -2.627 -13.053 9.272 1.00 0.00 N ATOM 0 H LYS A 6 -7.554 -10.862 12.517 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.184 -11.004 12.986 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.354 -10.023 10.716 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.331 -8.659 11.122 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.927 -9.888 9.747 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.428 -10.450 11.330 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.481 -12.200 10.780 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.861 -11.899 9.169 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.811 -12.403 11.280 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.830 -13.766 10.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.848 -13.704 9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.225 -13.471 8.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.237 -12.150 8.935 1.00 0.00 H new ATOM 83 N ARG A 7 -5.079 -9.061 14.894 1.00 0.00 N ATOM 84 CA ARG A 7 -4.476 -8.112 15.830 1.00 0.00 C ATOM 85 C ARG A 7 -4.478 -6.681 15.291 1.00 0.00 C ATOM 86 O ARG A 7 -3.645 -5.863 15.681 1.00 0.00 O ATOM 87 CB ARG A 7 -3.053 -8.529 16.193 1.00 0.00 C ATOM 88 CG ARG A 7 -2.704 -8.235 17.643 1.00 0.00 C ATOM 89 CD ARG A 7 -1.208 -8.042 17.830 1.00 0.00 C ATOM 90 NE ARG A 7 -0.678 -6.994 16.961 1.00 0.00 N ATOM 91 CZ ARG A 7 0.614 -6.849 16.677 1.00 0.00 C ATOM 92 NH1 ARG A 7 1.511 -7.682 17.190 1.00 0.00 N ATOM 93 NH2 ARG A 7 1.011 -5.868 15.877 1.00 0.00 N ATOM 0 H ARG A 7 -5.640 -9.784 15.344 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.093 -8.129 16.728 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.933 -9.596 16.004 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.350 -8.009 15.542 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.231 -7.339 17.970 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.047 -9.055 18.274 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.002 -7.789 18.870 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.693 -8.980 17.622 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.337 -6.335 16.548 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.211 -8.438 17.805 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.500 -7.566 16.969 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.326 -5.225 15.480 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.001 -5.757 15.659 1.00 0.00 H new ATOM 107 N ALA A 8 -5.424 -6.378 14.404 1.00 0.00 N ATOM 108 CA ALA A 8 -5.540 -5.044 13.829 1.00 0.00 C ATOM 109 C ALA A 8 -4.355 -4.688 12.935 1.00 0.00 C ATOM 110 O ALA A 8 -3.283 -5.286 13.026 1.00 0.00 O ATOM 111 CB ALA A 8 -5.698 -4.021 14.932 1.00 0.00 C ATOM 0 H ALA A 8 -6.122 -7.042 14.069 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.426 -5.037 13.194 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.784 -3.026 14.496 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.596 -4.243 15.509 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.828 -4.056 15.588 1.00 0.00 H new ATOM 117 N THR A 9 -4.581 -3.718 12.054 1.00 0.00 N ATOM 118 CA THR A 9 -3.574 -3.261 11.099 1.00 0.00 C ATOM 119 C THR A 9 -2.898 -1.976 11.545 1.00 0.00 C ATOM 120 O THR A 9 -3.570 -0.980 11.765 1.00 0.00 O ATOM 121 CB THR A 9 -4.249 -2.977 9.768 1.00 0.00 C ATOM 122 OG1 THR A 9 -5.479 -2.304 9.967 1.00 0.00 O ATOM 123 CG2 THR A 9 -4.538 -4.202 8.964 1.00 0.00 C ATOM 0 H THR A 9 -5.471 -3.224 11.981 1.00 0.00 H new ATOM 0 HA THR A 9 -2.823 -4.047 11.021 1.00 0.00 H new ATOM 0 HB THR A 9 -3.537 -2.364 9.216 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.382 -1.652 10.692 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.020 -3.918 8.028 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.606 -4.724 8.748 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.200 -4.859 9.528 1.00 0.00 H new ATOM 131 N THR A 10 -1.573 -1.984 11.634 1.00 0.00 N ATOM 132 CA THR A 10 -0.829 -0.792 12.004 1.00 0.00 C ATOM 133 C THR A 10 -1.107 0.302 10.999 1.00 0.00 C ATOM 134 O THR A 10 -1.437 0.025 9.847 1.00 0.00 O ATOM 135 CB THR A 10 0.670 -1.092 12.053 1.00 0.00 C ATOM 136 OG1 THR A 10 1.008 -2.108 11.126 1.00 0.00 O ATOM 137 CG2 THR A 10 1.147 -1.538 13.418 1.00 0.00 C ATOM 0 H THR A 10 -0.994 -2.804 11.454 1.00 0.00 H new ATOM 0 HA THR A 10 -1.146 -0.465 12.994 1.00 0.00 H new ATOM 0 HB THR A 10 1.161 -0.151 11.805 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.954 -2.983 11.565 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.219 -1.734 13.383 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.945 -0.754 14.148 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.621 -2.448 13.708 1.00 0.00 H new ATOM 145 N ALA A 11 -0.963 1.544 11.432 1.00 0.00 N ATOM 146 CA ALA A 11 -1.181 2.680 10.559 1.00 0.00 C ATOM 147 C ALA A 11 -0.547 2.402 9.211 1.00 0.00 C ATOM 148 O ALA A 11 -1.121 2.681 8.159 1.00 0.00 O ATOM 149 CB ALA A 11 -0.589 3.937 11.178 1.00 0.00 C ATOM 0 H ALA A 11 -0.695 1.789 12.385 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.251 2.837 10.425 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.759 4.784 10.514 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.066 4.129 12.139 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.482 3.800 11.325 1.00 0.00 H new ATOM 155 N PHE A 12 0.661 1.859 9.270 1.00 0.00 N ATOM 156 CA PHE A 12 1.432 1.538 8.077 1.00 0.00 C ATOM 157 C PHE A 12 0.873 0.328 7.345 1.00 0.00 C ATOM 158 O PHE A 12 0.992 0.217 6.128 1.00 0.00 O ATOM 159 CB PHE A 12 2.870 1.240 8.479 1.00 0.00 C ATOM 160 CG PHE A 12 3.852 1.388 7.353 1.00 0.00 C ATOM 161 CD1 PHE A 12 3.879 0.465 6.321 1.00 0.00 C ATOM 162 CD2 PHE A 12 4.748 2.444 7.328 1.00 0.00 C ATOM 163 CE1 PHE A 12 4.783 0.590 5.285 1.00 0.00 C ATOM 164 CE2 PHE A 12 5.654 2.575 6.294 1.00 0.00 C ATOM 165 CZ PHE A 12 5.671 1.646 5.271 1.00 0.00 C ATOM 0 H PHE A 12 1.133 1.629 10.144 1.00 0.00 H new ATOM 0 HA PHE A 12 1.379 2.396 7.407 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.157 1.908 9.291 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.926 0.223 8.868 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.185 -0.362 6.327 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.738 3.172 8.125 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.795 -0.138 4.487 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.348 3.402 6.285 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.379 1.746 4.461 1.00 0.00 H new ATOM 175 N MET A 13 0.288 -0.586 8.092 1.00 0.00 N ATOM 176 CA MET A 13 -0.262 -1.788 7.514 1.00 0.00 C ATOM 177 C MET A 13 -1.587 -1.475 6.859 1.00 0.00 C ATOM 178 O MET A 13 -1.749 -1.648 5.653 1.00 0.00 O ATOM 179 CB MET A 13 -0.419 -2.861 8.605 1.00 0.00 C ATOM 180 CG MET A 13 -1.394 -3.983 8.272 1.00 0.00 C ATOM 181 SD MET A 13 -0.637 -5.295 7.300 1.00 0.00 S ATOM 182 CE MET A 13 -0.440 -4.459 5.733 1.00 0.00 C ATOM 0 H MET A 13 0.183 -0.516 9.104 1.00 0.00 H new ATOM 0 HA MET A 13 0.413 -2.175 6.751 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.559 -3.298 8.806 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.747 -2.377 9.525 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.788 -4.403 9.197 1.00 0.00 H new ATOM 0 HG3 MET A 13 -2.241 -3.572 7.723 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.254 -5.194 4.949 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.348 -3.903 5.501 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.403 -3.770 5.792 1.00 0.00 H new ATOM 192 N LEU A 14 -2.548 -1.045 7.662 1.00 0.00 N ATOM 193 CA LEU A 14 -3.870 -0.751 7.158 1.00 0.00 C ATOM 194 C LEU A 14 -3.840 0.177 5.949 1.00 0.00 C ATOM 195 O LEU A 14 -4.696 0.078 5.070 1.00 0.00 O ATOM 196 CB LEU A 14 -4.776 -0.263 8.314 1.00 0.00 C ATOM 197 CG LEU A 14 -5.058 1.240 8.526 1.00 0.00 C ATOM 198 CD1 LEU A 14 -4.265 1.733 9.703 1.00 0.00 C ATOM 199 CD2 LEU A 14 -4.780 2.124 7.332 1.00 0.00 C ATOM 0 H LEU A 14 -2.432 -0.894 8.664 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.315 -1.669 6.773 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.741 -0.754 8.192 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.342 -0.640 9.240 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.132 1.313 8.699 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.462 2.794 9.856 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.555 1.178 10.595 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.202 1.585 9.513 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.010 3.159 7.584 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.729 2.043 7.056 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.401 1.808 6.493 1.00 0.00 H new ATOM 211 N TRP A 15 -2.850 1.064 5.886 1.00 0.00 N ATOM 212 CA TRP A 15 -2.743 1.973 4.754 1.00 0.00 C ATOM 213 C TRP A 15 -2.007 1.280 3.633 1.00 0.00 C ATOM 214 O TRP A 15 -2.414 1.335 2.474 1.00 0.00 O ATOM 215 CB TRP A 15 -2.009 3.263 5.124 1.00 0.00 C ATOM 216 CG TRP A 15 -1.194 3.806 3.985 1.00 0.00 C ATOM 217 CD1 TRP A 15 -1.571 4.752 3.077 1.00 0.00 C ATOM 218 CD2 TRP A 15 0.134 3.411 3.623 1.00 0.00 C ATOM 219 NE1 TRP A 15 -0.558 4.970 2.173 1.00 0.00 N ATOM 220 CE2 TRP A 15 0.502 4.155 2.486 1.00 0.00 C ATOM 221 CE3 TRP A 15 1.051 2.500 4.150 1.00 0.00 C ATOM 222 CZ2 TRP A 15 1.752 4.003 1.877 1.00 0.00 C ATOM 223 CZ3 TRP A 15 2.279 2.365 3.534 1.00 0.00 C ATOM 224 CH2 TRP A 15 2.605 3.108 2.421 1.00 0.00 C ATOM 0 H TRP A 15 -2.123 1.170 6.594 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.752 2.244 4.442 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -2.735 4.013 5.438 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -1.356 3.075 5.977 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -2.526 5.256 3.069 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -0.589 5.630 1.396 1.00 0.00 H new ATOM 0 HE3 TRP A 15 0.805 1.913 5.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 2.025 4.579 1.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 2.997 1.664 3.932 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.576 2.970 1.968 1.00 0.00 H new ATOM 235 N LEU A 16 -0.934 0.595 3.996 1.00 0.00 N ATOM 236 CA LEU A 16 -0.164 -0.141 3.021 1.00 0.00 C ATOM 237 C LEU A 16 -1.024 -1.242 2.448 1.00 0.00 C ATOM 238 O LEU A 16 -0.730 -1.795 1.416 1.00 0.00 O ATOM 239 CB LEU A 16 1.093 -0.751 3.629 1.00 0.00 C ATOM 240 CG LEU A 16 1.935 -1.548 2.636 1.00 0.00 C ATOM 241 CD1 LEU A 16 2.548 -0.614 1.614 1.00 0.00 C ATOM 242 CD2 LEU A 16 3.019 -2.337 3.352 1.00 0.00 C ATOM 0 H LEU A 16 -0.583 0.537 4.952 1.00 0.00 H new ATOM 0 HA LEU A 16 0.148 0.554 2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.704 0.046 4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.806 -1.404 4.454 1.00 0.00 H new ATOM 0 HG LEU A 16 1.286 -2.258 2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.147 -1.189 0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.756 -0.093 1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.182 0.113 2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.605 -2.896 2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.672 -1.651 3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.559 -3.031 4.056 1.00 0.00 H new ATOM 254 N ASN A 17 -2.101 -1.548 3.124 1.00 0.00 N ATOM 255 CA ASN A 17 -3.009 -2.571 2.685 1.00 0.00 C ATOM 256 C ASN A 17 -3.795 -2.087 1.471 1.00 0.00 C ATOM 257 O ASN A 17 -3.781 -2.690 0.371 1.00 0.00 O ATOM 258 CB ASN A 17 -3.972 -2.852 3.852 1.00 0.00 C ATOM 259 CG ASN A 17 -4.034 -4.311 4.244 1.00 0.00 C ATOM 260 OD1 ASN A 17 -3.775 -5.201 3.434 1.00 0.00 O ATOM 261 ND2 ASN A 17 -4.383 -4.556 5.501 1.00 0.00 N ATOM 0 H ASN A 17 -2.372 -1.093 3.996 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.467 -3.473 2.400 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.664 -2.264 4.717 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.971 -2.515 3.577 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.446 -5.518 5.834 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.588 -3.782 6.133 1.00 0.00 H new ATOM 268 N ASP A 18 -4.395 -0.925 1.671 1.00 0.00 N ATOM 269 CA ASP A 18 -5.167 -0.273 0.648 1.00 0.00 C ATOM 270 C ASP A 18 -4.275 0.326 -0.406 1.00 0.00 C ATOM 271 O ASP A 18 -4.681 0.477 -1.558 1.00 0.00 O ATOM 272 CB ASP A 18 -6.057 0.810 1.259 1.00 0.00 C ATOM 273 CG ASP A 18 -7.354 0.249 1.811 1.00 0.00 C ATOM 274 OD1 ASP A 18 -7.294 -0.691 2.630 1.00 0.00 O ATOM 275 OD2 ASP A 18 -8.430 0.751 1.422 1.00 0.00 O ATOM 0 H ASP A 18 -4.355 -0.413 2.552 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.798 -1.025 0.175 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.514 1.315 2.058 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.282 1.561 0.502 1.00 0.00 H new ATOM 280 N THR A 19 -3.060 0.688 -0.023 1.00 0.00 N ATOM 281 CA THR A 19 -2.133 1.285 -0.949 1.00 0.00 C ATOM 282 C THR A 19 -1.093 0.291 -1.436 1.00 0.00 C ATOM 283 O THR A 19 -0.580 0.455 -2.528 1.00 0.00 O ATOM 284 CB THR A 19 -1.469 2.469 -0.274 1.00 0.00 C ATOM 285 OG1 THR A 19 -1.856 3.686 -0.884 1.00 0.00 O ATOM 286 CG2 THR A 19 0.043 2.420 -0.255 1.00 0.00 C ATOM 0 H THR A 19 -2.701 0.575 0.925 1.00 0.00 H new ATOM 0 HA THR A 19 -2.683 1.616 -1.830 1.00 0.00 H new ATOM 0 HB THR A 19 -1.813 2.413 0.759 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.416 4.434 -0.429 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.429 3.307 0.247 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.371 1.528 0.279 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.419 2.389 -1.278 1.00 0.00 H new ATOM 294 N ARG A 20 -0.792 -0.752 -0.652 1.00 0.00 N ATOM 295 CA ARG A 20 0.184 -1.746 -1.104 1.00 0.00 C ATOM 296 C ARG A 20 -0.303 -2.283 -2.405 1.00 0.00 C ATOM 297 O ARG A 20 0.471 -2.557 -3.322 1.00 0.00 O ATOM 298 CB ARG A 20 0.385 -2.906 -0.125 1.00 0.00 C ATOM 299 CG ARG A 20 -0.680 -3.984 -0.215 1.00 0.00 C ATOM 300 CD ARG A 20 -0.194 -5.281 0.407 1.00 0.00 C ATOM 301 NE ARG A 20 -1.175 -5.855 1.321 1.00 0.00 N ATOM 302 CZ ARG A 20 -2.211 -6.594 0.930 1.00 0.00 C ATOM 303 NH1 ARG A 20 -2.414 -6.839 -0.358 1.00 0.00 N ATOM 304 NH2 ARG A 20 -3.050 -7.087 1.830 1.00 0.00 N ATOM 0 H ARG A 20 -1.196 -0.926 0.268 1.00 0.00 H new ATOM 0 HA ARG A 20 1.152 -1.252 -1.188 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.360 -3.357 -0.308 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.402 -2.511 0.891 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.585 -3.650 0.292 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.944 -4.153 -1.259 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.029 -5.999 -0.382 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.737 -5.098 0.944 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.060 -5.680 2.319 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.774 -6.460 -1.056 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.210 -7.406 -0.650 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.902 -6.900 2.822 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.844 -7.653 1.531 1.00 0.00 H new ATOM 318 N GLU A 21 -1.620 -2.364 -2.503 1.00 0.00 N ATOM 319 CA GLU A 21 -2.208 -2.800 -3.752 1.00 0.00 C ATOM 320 C GLU A 21 -1.794 -1.779 -4.815 1.00 0.00 C ATOM 321 O GLU A 21 -1.437 -2.119 -5.946 1.00 0.00 O ATOM 322 CB GLU A 21 -3.736 -2.904 -3.626 1.00 0.00 C ATOM 323 CG GLU A 21 -4.508 -2.309 -4.793 1.00 0.00 C ATOM 324 CD GLU A 21 -5.920 -2.854 -4.898 1.00 0.00 C ATOM 325 OE1 GLU A 21 -6.074 -4.036 -5.268 1.00 0.00 O ATOM 326 OE2 GLU A 21 -6.870 -2.097 -4.609 1.00 0.00 O ATOM 0 H GLU A 21 -2.281 -2.141 -1.758 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.857 -3.794 -4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.009 -3.954 -3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.047 -2.404 -2.709 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.548 -1.225 -4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.973 -2.515 -5.720 1.00 0.00 H new ATOM 333 N SER A 22 -1.865 -0.514 -4.406 1.00 0.00 N ATOM 334 CA SER A 22 -1.526 0.602 -5.277 1.00 0.00 C ATOM 335 C SER A 22 -0.024 0.669 -5.555 1.00 0.00 C ATOM 336 O SER A 22 0.420 1.380 -6.457 1.00 0.00 O ATOM 337 CB SER A 22 -2.002 1.920 -4.665 1.00 0.00 C ATOM 338 OG SER A 22 -3.359 2.173 -4.991 1.00 0.00 O ATOM 0 H SER A 22 -2.157 -0.238 -3.468 1.00 0.00 H new ATOM 0 HA SER A 22 -2.036 0.440 -6.227 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.885 1.885 -3.582 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.379 2.738 -5.026 1.00 0.00 H new ATOM 0 HG SER A 22 -3.640 3.020 -4.587 1.00 0.00 H new ATOM 344 N ILE A 23 0.752 -0.052 -4.758 1.00 0.00 N ATOM 345 CA ILE A 23 2.200 -0.050 -4.899 1.00 0.00 C ATOM 346 C ILE A 23 2.663 -1.054 -5.925 1.00 0.00 C ATOM 347 O ILE A 23 3.548 -0.763 -6.732 1.00 0.00 O ATOM 348 CB ILE A 23 2.896 -0.353 -3.570 1.00 0.00 C ATOM 349 CG1 ILE A 23 2.255 0.478 -2.475 1.00 0.00 C ATOM 350 CG2 ILE A 23 4.386 -0.065 -3.678 1.00 0.00 C ATOM 351 CD1 ILE A 23 3.031 0.516 -1.178 1.00 0.00 C ATOM 0 H ILE A 23 0.402 -0.646 -4.006 1.00 0.00 H new ATOM 0 HA ILE A 23 2.471 0.953 -5.229 1.00 0.00 H new ATOM 0 HB ILE A 23 2.781 -1.409 -3.325 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.129 1.498 -2.838 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.258 0.085 -2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.869 -0.285 -2.726 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.822 -0.689 -4.458 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.536 0.985 -3.927 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.499 1.132 -0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.135 -0.496 -0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.019 0.939 -1.358 1.00 0.00 H new ATOM 363 N LYS A 24 2.076 -2.237 -5.898 1.00 0.00 N ATOM 364 CA LYS A 24 2.467 -3.254 -6.843 1.00 0.00 C ATOM 365 C LYS A 24 2.012 -2.872 -8.245 1.00 0.00 C ATOM 366 O LYS A 24 2.663 -3.211 -9.232 1.00 0.00 O ATOM 367 CB LYS A 24 1.929 -4.624 -6.446 1.00 0.00 C ATOM 368 CG LYS A 24 2.984 -5.716 -6.513 1.00 0.00 C ATOM 369 CD LYS A 24 3.676 -5.911 -5.173 1.00 0.00 C ATOM 370 CE LYS A 24 3.618 -7.366 -4.723 1.00 0.00 C ATOM 371 NZ LYS A 24 3.811 -8.312 -5.857 1.00 0.00 N ATOM 0 H LYS A 24 1.342 -2.509 -5.244 1.00 0.00 H new ATOM 0 HA LYS A 24 3.555 -3.322 -6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.530 -4.573 -5.433 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.099 -4.887 -7.102 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.520 -6.652 -6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.724 -5.461 -7.271 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.716 -5.594 -5.249 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.204 -5.277 -4.422 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.386 -7.543 -3.970 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.656 -7.560 -4.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.291 -9.169 -5.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.886 -8.569 -6.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.392 -7.859 -6.592 1.00 0.00 H new ATOM 385 N ARG A 25 0.911 -2.127 -8.328 1.00 0.00 N ATOM 386 CA ARG A 25 0.411 -1.665 -9.618 1.00 0.00 C ATOM 387 C ARG A 25 1.329 -0.553 -10.116 1.00 0.00 C ATOM 388 O ARG A 25 1.702 -0.498 -11.288 1.00 0.00 O ATOM 389 CB ARG A 25 -1.033 -1.166 -9.492 1.00 0.00 C ATOM 390 CG ARG A 25 -1.164 0.190 -8.817 1.00 0.00 C ATOM 391 CD ARG A 25 -2.603 0.680 -8.827 1.00 0.00 C ATOM 392 NE ARG A 25 -3.519 -0.301 -8.249 1.00 0.00 N ATOM 393 CZ ARG A 25 -4.846 -0.196 -8.300 1.00 0.00 C ATOM 394 NH1 ARG A 25 -5.414 0.843 -8.900 1.00 0.00 N ATOM 395 NH2 ARG A 25 -5.605 -1.133 -7.750 1.00 0.00 N ATOM 0 H ARG A 25 0.354 -1.834 -7.525 1.00 0.00 H new ATOM 0 HA ARG A 25 0.408 -2.488 -10.332 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.475 -1.109 -10.487 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.611 -1.898 -8.928 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.809 0.122 -7.789 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.528 0.914 -9.326 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.672 1.614 -8.269 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.905 0.898 -9.851 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.119 -1.113 -7.779 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.834 1.566 -9.325 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.431 0.918 -8.936 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.173 -1.933 -7.288 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.621 -1.054 -7.788 1.00 0.00 H new ATOM 409 N GLU A 26 1.709 0.310 -9.179 1.00 0.00 N ATOM 410 CA GLU A 26 2.611 1.415 -9.456 1.00 0.00 C ATOM 411 C GLU A 26 3.977 0.865 -9.844 1.00 0.00 C ATOM 412 O GLU A 26 4.820 1.577 -10.388 1.00 0.00 O ATOM 413 CB GLU A 26 2.736 2.327 -8.234 1.00 0.00 C ATOM 414 CG GLU A 26 1.572 3.292 -8.074 1.00 0.00 C ATOM 415 CD GLU A 26 1.874 4.669 -8.633 1.00 0.00 C ATOM 416 OE1 GLU A 26 2.545 5.458 -7.935 1.00 0.00 O ATOM 417 OE2 GLU A 26 1.441 4.957 -9.768 1.00 0.00 O ATOM 0 H GLU A 26 1.399 0.260 -8.209 1.00 0.00 H new ATOM 0 HA GLU A 26 2.209 2.005 -10.280 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.813 1.711 -7.338 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.662 2.897 -8.309 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.695 2.884 -8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.321 3.380 -7.017 1.00 0.00 H new ATOM 424 N ASN A 27 4.171 -0.426 -9.577 1.00 0.00 N ATOM 425 CA ASN A 27 5.403 -1.105 -9.910 1.00 0.00 C ATOM 426 C ASN A 27 5.146 -2.603 -10.034 1.00 0.00 C ATOM 427 O ASN A 27 5.457 -3.375 -9.128 1.00 0.00 O ATOM 428 CB ASN A 27 6.473 -0.827 -8.855 1.00 0.00 C ATOM 429 CG ASN A 27 6.759 0.654 -8.697 1.00 0.00 C ATOM 430 OD1 ASN A 27 7.677 1.190 -9.319 1.00 0.00 O ATOM 431 ND2 ASN A 27 5.973 1.322 -7.862 1.00 0.00 N ATOM 0 H ASN A 27 3.476 -1.020 -9.125 1.00 0.00 H new ATOM 0 HA ASN A 27 5.768 -0.729 -10.866 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.150 -1.236 -7.898 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.392 -1.345 -9.129 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.118 2.321 -7.715 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.224 0.837 -7.368 1.00 0.00 H new ATOM 438 N PRO A 28 4.540 -3.032 -11.160 1.00 0.00 N ATOM 439 CA PRO A 28 4.204 -4.443 -11.406 1.00 0.00 C ATOM 440 C PRO A 28 5.428 -5.341 -11.570 1.00 0.00 C ATOM 441 O PRO A 28 5.512 -6.121 -12.520 1.00 0.00 O ATOM 442 CB PRO A 28 3.397 -4.406 -12.714 1.00 0.00 C ATOM 443 CG PRO A 28 3.015 -2.976 -12.904 1.00 0.00 C ATOM 444 CD PRO A 28 4.109 -2.171 -12.271 1.00 0.00 C ATOM 0 HA PRO A 28 3.663 -4.866 -10.559 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.991 -4.769 -13.553 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.515 -5.043 -12.649 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.916 -2.736 -13.963 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.053 -2.763 -12.437 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.922 -1.973 -12.969 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.749 -1.204 -11.919 1.00 0.00 H new ATOM 452 N GLY A 29 6.369 -5.234 -10.642 1.00 0.00 N ATOM 453 CA GLY A 29 7.567 -6.049 -10.705 1.00 0.00 C ATOM 454 C GLY A 29 8.415 -5.945 -9.447 1.00 0.00 C ATOM 455 O GLY A 29 9.559 -6.399 -9.428 1.00 0.00 O ATOM 0 H GLY A 29 6.325 -4.597 -9.846 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.285 -7.090 -10.863 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.163 -5.746 -11.566 1.00 0.00 H new ATOM 459 N ILE A 30 7.862 -5.340 -8.397 1.00 0.00 N ATOM 460 CA ILE A 30 8.586 -5.181 -7.158 1.00 0.00 C ATOM 461 C ILE A 30 8.537 -6.446 -6.325 1.00 0.00 C ATOM 462 O ILE A 30 8.490 -7.558 -6.854 1.00 0.00 O ATOM 463 CB ILE A 30 8.056 -3.989 -6.332 1.00 0.00 C ATOM 464 CG1 ILE A 30 6.701 -4.303 -5.669 1.00 0.00 C ATOM 465 CG2 ILE A 30 7.948 -2.771 -7.214 1.00 0.00 C ATOM 466 CD1 ILE A 30 6.047 -3.105 -5.003 1.00 0.00 C ATOM 0 H ILE A 30 6.917 -4.956 -8.389 1.00 0.00 H new ATOM 0 HA ILE A 30 9.623 -4.977 -7.426 1.00 0.00 H new ATOM 0 HB ILE A 30 8.765 -3.793 -5.528 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.023 -4.702 -6.423 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.845 -5.086 -4.924 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.574 -1.931 -6.629 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.931 -2.525 -7.616 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.261 -2.976 -8.035 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.098 -3.408 -4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.704 -2.718 -4.224 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.869 -2.328 -5.746 1.00 0.00 H new ATOM 478 N LYS A 31 8.575 -6.262 -5.024 1.00 0.00 N ATOM 479 CA LYS A 31 8.564 -7.342 -4.095 1.00 0.00 C ATOM 480 C LYS A 31 8.067 -6.859 -2.754 1.00 0.00 C ATOM 481 O LYS A 31 8.173 -5.685 -2.414 1.00 0.00 O ATOM 482 CB LYS A 31 9.975 -7.896 -3.983 1.00 0.00 C ATOM 483 CG LYS A 31 10.966 -6.919 -3.377 1.00 0.00 C ATOM 484 CD LYS A 31 12.323 -7.569 -3.155 1.00 0.00 C ATOM 485 CE LYS A 31 13.013 -7.883 -4.474 1.00 0.00 C ATOM 486 NZ LYS A 31 14.053 -6.871 -4.810 1.00 0.00 N ATOM 0 H LYS A 31 8.615 -5.341 -4.588 1.00 0.00 H new ATOM 0 HA LYS A 31 7.894 -8.130 -4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.954 -8.802 -3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.323 -8.185 -4.975 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.077 -6.057 -4.035 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.579 -6.548 -2.428 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.953 -6.905 -2.563 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.198 -8.487 -2.581 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.471 -8.870 -4.418 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.271 -7.921 -5.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.500 -7.120 -5.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.612 -5.933 -4.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.774 -6.853 -4.061 1.00 0.00 H new ATOM 500 N VAL A 32 7.539 -7.794 -2.008 1.00 0.00 N ATOM 501 CA VAL A 32 7.016 -7.564 -0.676 1.00 0.00 C ATOM 502 C VAL A 32 7.803 -6.503 0.097 1.00 0.00 C ATOM 503 O VAL A 32 7.251 -5.776 0.923 1.00 0.00 O ATOM 504 CB VAL A 32 7.065 -8.895 0.100 1.00 0.00 C ATOM 505 CG1 VAL A 32 7.674 -9.999 -0.758 1.00 0.00 C ATOM 506 CG2 VAL A 32 7.847 -8.759 1.391 1.00 0.00 C ATOM 0 H VAL A 32 7.456 -8.764 -2.313 1.00 0.00 H new ATOM 0 HA VAL A 32 5.996 -7.194 -0.777 1.00 0.00 H new ATOM 0 HB VAL A 32 6.038 -9.162 0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.699 -10.929 -0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.071 -10.137 -1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.689 -9.721 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.860 -9.717 1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.869 -8.454 1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.375 -8.008 2.025 1.00 0.00 H new ATOM 516 N THR A 33 9.101 -6.464 -0.151 1.00 0.00 N ATOM 517 CA THR A 33 9.995 -5.537 0.551 1.00 0.00 C ATOM 518 C THR A 33 9.997 -4.134 -0.056 1.00 0.00 C ATOM 519 O THR A 33 10.267 -3.155 0.643 1.00 0.00 O ATOM 520 CB THR A 33 11.422 -6.090 0.586 1.00 0.00 C ATOM 521 OG1 THR A 33 11.811 -6.572 -0.685 1.00 0.00 O ATOM 522 CG2 THR A 33 11.601 -7.217 1.582 1.00 0.00 C ATOM 0 H THR A 33 9.567 -7.062 -0.833 1.00 0.00 H new ATOM 0 HA THR A 33 9.609 -5.447 1.566 1.00 0.00 H new ATOM 0 HB THR A 33 12.047 -5.251 0.892 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.402 -7.346 -0.575 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.634 -7.564 1.557 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.362 -6.859 2.583 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.935 -8.040 1.323 1.00 0.00 H new ATOM 530 N GLU A 34 9.660 -4.020 -1.332 1.00 0.00 N ATOM 531 CA GLU A 34 9.603 -2.718 -1.982 1.00 0.00 C ATOM 532 C GLU A 34 8.233 -2.086 -1.746 1.00 0.00 C ATOM 533 O GLU A 34 8.059 -0.877 -1.862 1.00 0.00 O ATOM 534 CB GLU A 34 9.882 -2.862 -3.484 1.00 0.00 C ATOM 535 CG GLU A 34 9.193 -1.819 -4.354 1.00 0.00 C ATOM 536 CD GLU A 34 10.027 -1.420 -5.556 1.00 0.00 C ATOM 537 OE1 GLU A 34 10.706 -2.299 -6.125 1.00 0.00 O ATOM 538 OE2 GLU A 34 10.000 -0.227 -5.927 1.00 0.00 O ATOM 0 H GLU A 34 9.423 -4.808 -1.935 1.00 0.00 H new ATOM 0 HA GLU A 34 10.367 -2.069 -1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.958 -2.802 -3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.565 -3.854 -3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.235 -2.211 -4.695 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.980 -0.934 -3.754 1.00 0.00 H new ATOM 545 N ILE A 35 7.270 -2.926 -1.399 1.00 0.00 N ATOM 546 CA ILE A 35 5.926 -2.465 -1.129 1.00 0.00 C ATOM 547 C ILE A 35 5.889 -1.783 0.223 1.00 0.00 C ATOM 548 O ILE A 35 5.392 -0.663 0.366 1.00 0.00 O ATOM 549 CB ILE A 35 4.920 -3.629 -1.126 1.00 0.00 C ATOM 550 CG1 ILE A 35 5.116 -4.523 -2.348 1.00 0.00 C ATOM 551 CG2 ILE A 35 3.500 -3.098 -1.082 1.00 0.00 C ATOM 552 CD1 ILE A 35 4.563 -5.916 -2.157 1.00 0.00 C ATOM 0 H ILE A 35 7.400 -3.933 -1.299 1.00 0.00 H new ATOM 0 HA ILE A 35 5.646 -1.768 -1.919 1.00 0.00 H new ATOM 0 HB ILE A 35 5.098 -4.230 -0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.633 -4.062 -3.210 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.180 -4.589 -2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.799 -3.933 -1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.361 -2.506 -0.178 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.318 -2.473 -1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.733 -6.502 -3.060 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.063 -6.394 -1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.493 -5.859 -1.958 1.00 0.00 H new ATOM 564 N ALA A 36 6.427 -2.479 1.214 1.00 0.00 N ATOM 565 CA ALA A 36 6.466 -1.968 2.567 1.00 0.00 C ATOM 566 C ALA A 36 7.471 -0.832 2.719 1.00 0.00 C ATOM 567 O ALA A 36 7.352 -0.016 3.631 1.00 0.00 O ATOM 568 CB ALA A 36 6.784 -3.091 3.545 1.00 0.00 C ATOM 0 H ALA A 36 6.843 -3.403 1.100 1.00 0.00 H new ATOM 0 HA ALA A 36 5.480 -1.563 2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.810 -2.693 4.560 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.016 -3.861 3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.754 -3.524 3.299 1.00 0.00 H new ATOM 574 N LYS A 37 8.472 -0.784 1.843 1.00 0.00 N ATOM 575 CA LYS A 37 9.490 0.257 1.920 1.00 0.00 C ATOM 576 C LYS A 37 9.136 1.456 1.048 1.00 0.00 C ATOM 577 O LYS A 37 9.132 2.603 1.518 1.00 0.00 O ATOM 578 CB LYS A 37 10.851 -0.304 1.504 1.00 0.00 C ATOM 579 CG LYS A 37 12.028 0.456 2.092 1.00 0.00 C ATOM 580 CD LYS A 37 12.442 1.617 1.201 1.00 0.00 C ATOM 581 CE LYS A 37 13.411 2.546 1.912 1.00 0.00 C ATOM 582 NZ LYS A 37 14.533 1.799 2.547 1.00 0.00 N ATOM 0 H LYS A 37 8.598 -1.448 1.079 1.00 0.00 H new ATOM 0 HA LYS A 37 9.537 0.596 2.955 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.913 -1.348 1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.925 -0.287 0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.763 0.831 3.081 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.871 -0.222 2.224 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.905 1.233 0.292 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.558 2.176 0.896 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.812 3.267 1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.877 3.114 2.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.280 2.466 2.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.184 1.297 3.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.920 1.112 1.869 1.00 0.00 H new ATOM 596 N LYS A 38 8.829 1.201 -0.223 1.00 0.00 N ATOM 597 CA LYS A 38 8.477 2.271 -1.140 1.00 0.00 C ATOM 598 C LYS A 38 7.131 2.882 -0.777 1.00 0.00 C ATOM 599 O LYS A 38 6.768 3.947 -1.279 1.00 0.00 O ATOM 600 CB LYS A 38 8.470 1.758 -2.583 1.00 0.00 C ATOM 601 CG LYS A 38 7.096 1.359 -3.105 1.00 0.00 C ATOM 602 CD LYS A 38 6.367 2.545 -3.718 1.00 0.00 C ATOM 603 CE LYS A 38 6.299 2.439 -5.233 1.00 0.00 C ATOM 604 NZ LYS A 38 6.514 3.756 -5.895 1.00 0.00 N ATOM 0 H LYS A 38 8.818 0.268 -0.634 1.00 0.00 H new ATOM 0 HA LYS A 38 9.231 3.053 -1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.881 2.531 -3.232 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.135 0.897 -2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.204 0.571 -3.851 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.501 0.947 -2.290 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.357 2.602 -3.311 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.875 3.468 -3.440 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.051 1.731 -5.581 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.327 2.041 -5.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.758 3.923 -6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.500 4.511 -5.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.435 3.755 -6.379 1.00 0.00 H new ATOM 618 N GLY A 39 6.400 2.220 0.112 1.00 0.00 N ATOM 619 CA GLY A 39 5.131 2.744 0.529 1.00 0.00 C ATOM 620 C GLY A 39 5.296 3.696 1.695 1.00 0.00 C ATOM 621 O GLY A 39 4.712 4.776 1.728 1.00 0.00 O ATOM 0 H GLY A 39 6.668 1.336 0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.655 3.262 -0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.471 1.925 0.814 1.00 0.00 H new ATOM 625 N GLY A 40 6.106 3.291 2.654 1.00 0.00 N ATOM 626 CA GLY A 40 6.355 4.120 3.817 1.00 0.00 C ATOM 627 C GLY A 40 6.795 5.512 3.430 1.00 0.00 C ATOM 628 O GLY A 40 6.328 6.499 3.994 1.00 0.00 O ATOM 0 H GLY A 40 6.600 2.399 2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.450 4.180 4.421 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.122 3.656 4.437 1.00 0.00 H new ATOM 632 N GLU A 41 7.689 5.589 2.450 1.00 0.00 N ATOM 633 CA GLU A 41 8.180 6.878 1.974 1.00 0.00 C ATOM 634 C GLU A 41 7.017 7.777 1.564 1.00 0.00 C ATOM 635 O GLU A 41 6.969 8.953 1.924 1.00 0.00 O ATOM 636 CB GLU A 41 9.111 6.673 0.782 1.00 0.00 C ATOM 637 CG GLU A 41 8.475 5.864 -0.334 1.00 0.00 C ATOM 638 CD GLU A 41 9.449 5.533 -1.448 1.00 0.00 C ATOM 639 OE1 GLU A 41 10.518 4.961 -1.148 1.00 0.00 O ATOM 640 OE2 GLU A 41 9.143 5.844 -2.617 1.00 0.00 O ATOM 0 H GLU A 41 8.086 4.780 1.972 1.00 0.00 H new ATOM 0 HA GLU A 41 8.728 7.358 2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.413 7.645 0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 41 10.017 6.169 1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.073 4.938 0.078 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.634 6.421 -0.747 1.00 0.00 H new ATOM 647 N MET A 42 6.083 7.208 0.810 1.00 0.00 N ATOM 648 CA MET A 42 4.914 7.941 0.344 1.00 0.00 C ATOM 649 C MET A 42 3.921 8.142 1.478 1.00 0.00 C ATOM 650 O MET A 42 3.246 9.168 1.562 1.00 0.00 O ATOM 651 CB MET A 42 4.232 7.177 -0.784 1.00 0.00 C ATOM 652 CG MET A 42 3.452 5.968 -0.299 1.00 0.00 C ATOM 653 SD MET A 42 2.267 5.381 -1.513 1.00 0.00 S ATOM 654 CE MET A 42 2.963 3.774 -1.841 1.00 0.00 C ATOM 0 H MET A 42 6.115 6.234 0.507 1.00 0.00 H new ATOM 0 HA MET A 42 5.246 8.914 -0.019 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.557 7.849 -1.313 1.00 0.00 H new ATOM 0 HB3 MET A 42 4.985 6.852 -1.502 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.147 5.164 -0.057 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.927 6.224 0.622 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.475 3.337 -2.712 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.031 3.873 -2.034 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.809 3.128 -0.977 1.00 0.00 H new ATOM 664 N TRP A 43 3.836 7.136 2.336 1.00 0.00 N ATOM 665 CA TRP A 43 2.937 7.150 3.461 1.00 0.00 C ATOM 666 C TRP A 43 3.241 8.312 4.406 1.00 0.00 C ATOM 667 O TRP A 43 2.360 9.114 4.714 1.00 0.00 O ATOM 668 CB TRP A 43 3.054 5.790 4.138 1.00 0.00 C ATOM 669 CG TRP A 43 2.824 5.767 5.597 1.00 0.00 C ATOM 670 CD1 TRP A 43 3.765 5.805 6.561 1.00 0.00 C ATOM 671 CD2 TRP A 43 1.569 5.650 6.245 1.00 0.00 C ATOM 672 NE1 TRP A 43 3.169 5.718 7.802 1.00 0.00 N ATOM 673 CE2 TRP A 43 1.808 5.620 7.625 1.00 0.00 C ATOM 674 CE3 TRP A 43 0.267 5.571 5.777 1.00 0.00 C ATOM 675 CZ2 TRP A 43 0.773 5.504 8.549 1.00 0.00 C ATOM 676 CZ3 TRP A 43 -0.762 5.460 6.685 1.00 0.00 C ATOM 677 CH2 TRP A 43 -0.506 5.424 8.061 1.00 0.00 C ATOM 0 H TRP A 43 4.395 6.286 2.263 1.00 0.00 H new ATOM 0 HA TRP A 43 1.908 7.312 3.139 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.343 5.111 3.668 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.050 5.394 3.942 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.828 5.891 6.388 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.655 5.725 8.699 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.063 5.596 4.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.970 5.478 9.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.781 5.400 6.331 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.332 5.331 8.751 1.00 0.00 H new ATOM 688 N LYS A 44 4.485 8.401 4.862 1.00 0.00 N ATOM 689 CA LYS A 44 4.889 9.469 5.771 1.00 0.00 C ATOM 690 C LYS A 44 4.507 10.849 5.225 1.00 0.00 C ATOM 691 O LYS A 44 4.356 11.803 5.988 1.00 0.00 O ATOM 692 CB LYS A 44 6.398 9.408 6.018 1.00 0.00 C ATOM 693 CG LYS A 44 6.779 9.499 7.487 1.00 0.00 C ATOM 694 CD LYS A 44 8.289 9.508 7.673 1.00 0.00 C ATOM 695 CE LYS A 44 8.718 8.572 8.792 1.00 0.00 C ATOM 696 NZ LYS A 44 8.053 8.907 10.082 1.00 0.00 N ATOM 0 H LYS A 44 5.230 7.749 4.618 1.00 0.00 H new ATOM 0 HA LYS A 44 4.360 9.321 6.712 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.787 8.476 5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.880 10.221 5.475 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.353 10.405 7.919 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.350 8.656 8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.773 9.211 6.743 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.623 10.521 7.896 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.480 7.544 8.517 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.800 8.626 8.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.567 8.455 10.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.055 9.938 10.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.072 8.561 10.067 1.00 0.00 H new ATOM 710 N GLU A 45 4.358 10.951 3.906 1.00 0.00 N ATOM 711 CA GLU A 45 4.001 12.221 3.274 1.00 0.00 C ATOM 712 C GLU A 45 2.639 12.139 2.586 1.00 0.00 C ATOM 713 O GLU A 45 2.464 12.635 1.473 1.00 0.00 O ATOM 714 CB GLU A 45 5.073 12.626 2.262 1.00 0.00 C ATOM 715 CG GLU A 45 5.207 11.658 1.097 1.00 0.00 C ATOM 716 CD GLU A 45 6.065 12.211 -0.024 1.00 0.00 C ATOM 717 OE1 GLU A 45 5.735 13.298 -0.543 1.00 0.00 O ATOM 718 OE2 GLU A 45 7.064 11.555 -0.385 1.00 0.00 O ATOM 0 H GLU A 45 4.478 10.174 3.256 1.00 0.00 H new ATOM 0 HA GLU A 45 3.939 12.977 4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.839 13.618 1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.033 12.702 2.773 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.640 10.723 1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.216 11.423 0.709 1.00 0.00 H new ATOM 725 N LEU A 46 1.678 11.509 3.254 1.00 0.00 N ATOM 726 CA LEU A 46 0.339 11.368 2.692 1.00 0.00 C ATOM 727 C LEU A 46 -0.732 11.819 3.697 1.00 0.00 C ATOM 728 O LEU A 46 -0.608 11.585 4.899 1.00 0.00 O ATOM 729 CB LEU A 46 0.141 9.920 2.201 1.00 0.00 C ATOM 730 CG LEU A 46 -0.996 9.118 2.832 1.00 0.00 C ATOM 731 CD1 LEU A 46 -1.390 7.962 1.935 1.00 0.00 C ATOM 732 CD2 LEU A 46 -0.593 8.604 4.201 1.00 0.00 C ATOM 0 H LEU A 46 1.799 11.091 4.177 1.00 0.00 H new ATOM 0 HA LEU A 46 0.229 12.025 1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.023 9.948 1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.071 9.377 2.368 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.855 9.779 2.949 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.201 7.401 2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.721 8.346 0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.532 7.306 1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.417 8.036 4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.281 7.960 4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.354 9.446 4.850 1.00 0.00 H new ATOM 744 N LYS A 47 -1.773 12.494 3.192 1.00 0.00 N ATOM 745 CA LYS A 47 -2.856 13.009 4.040 1.00 0.00 C ATOM 746 C LYS A 47 -3.984 12.001 4.200 1.00 0.00 C ATOM 747 O LYS A 47 -5.097 12.349 4.592 1.00 0.00 O ATOM 748 CB LYS A 47 -3.405 14.316 3.464 1.00 0.00 C ATOM 749 CG LYS A 47 -3.747 14.234 1.987 1.00 0.00 C ATOM 750 CD LYS A 47 -4.956 15.091 1.646 1.00 0.00 C ATOM 751 CE LYS A 47 -6.238 14.275 1.654 1.00 0.00 C ATOM 752 NZ LYS A 47 -6.297 13.321 0.512 1.00 0.00 N ATOM 0 H LYS A 47 -1.888 12.696 2.199 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.434 13.194 5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.298 14.601 4.020 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.670 15.107 3.615 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.891 14.559 1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.946 13.197 1.716 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.039 15.907 2.364 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.817 15.543 0.664 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.311 13.724 2.591 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.096 14.946 1.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.286 13.050 0.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.906 13.773 -0.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.741 12.472 0.739 1.00 0.00 H new ATOM 766 N ASP A 48 -3.669 10.749 3.943 1.00 0.00 N ATOM 767 CA ASP A 48 -4.617 9.665 4.101 1.00 0.00 C ATOM 768 C ASP A 48 -4.234 8.858 5.335 1.00 0.00 C ATOM 769 O ASP A 48 -5.014 8.049 5.830 1.00 0.00 O ATOM 770 CB ASP A 48 -4.625 8.769 2.861 1.00 0.00 C ATOM 771 CG ASP A 48 -4.726 9.564 1.573 1.00 0.00 C ATOM 772 OD1 ASP A 48 -3.682 10.053 1.095 1.00 0.00 O ATOM 773 OD2 ASP A 48 -5.849 9.696 1.044 1.00 0.00 O ATOM 0 H ASP A 48 -2.748 10.453 3.619 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.620 10.074 4.223 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.715 8.169 2.844 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.463 8.075 2.923 1.00 0.00 H new ATOM 778 N LYS A 49 -3.015 9.108 5.828 1.00 0.00 N ATOM 779 CA LYS A 49 -2.495 8.438 7.006 1.00 0.00 C ATOM 780 C LYS A 49 -3.106 9.030 8.262 1.00 0.00 C ATOM 781 O LYS A 49 -3.264 8.345 9.266 1.00 0.00 O ATOM 782 CB LYS A 49 -0.972 8.565 7.048 1.00 0.00 C ATOM 783 CG LYS A 49 -0.363 8.271 8.400 1.00 0.00 C ATOM 784 CD LYS A 49 0.094 9.542 9.093 1.00 0.00 C ATOM 785 CE LYS A 49 1.202 10.222 8.305 1.00 0.00 C ATOM 786 NZ LYS A 49 1.916 11.246 9.117 1.00 0.00 N ATOM 0 H LYS A 49 -2.369 9.781 5.416 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.761 7.382 6.956 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.541 7.885 6.313 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.694 9.576 6.749 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.093 7.757 9.025 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.485 7.596 8.279 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.749 10.224 9.204 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.448 9.306 10.097 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.914 9.472 7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.779 10.693 7.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.663 11.685 8.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.242 11.976 9.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.342 10.793 9.951 1.00 0.00 H new ATOM 800 N SER A 50 -3.503 10.291 8.197 1.00 0.00 N ATOM 801 CA SER A 50 -4.148 10.912 9.335 1.00 0.00 C ATOM 802 C SER A 50 -5.526 10.292 9.483 1.00 0.00 C ATOM 803 O SER A 50 -6.078 10.192 10.579 1.00 0.00 O ATOM 804 CB SER A 50 -4.257 12.426 9.145 1.00 0.00 C ATOM 805 OG SER A 50 -3.200 13.101 9.807 1.00 0.00 O ATOM 0 H SER A 50 -3.391 10.893 7.381 1.00 0.00 H new ATOM 0 HA SER A 50 -3.557 10.743 10.235 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.235 12.665 8.082 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.214 12.776 9.531 1.00 0.00 H new ATOM 0 HG SER A 50 -3.291 14.067 9.669 1.00 0.00 H new ATOM 811 N LYS A 51 -6.060 9.864 8.342 1.00 0.00 N ATOM 812 CA LYS A 51 -7.372 9.228 8.287 1.00 0.00 C ATOM 813 C LYS A 51 -7.247 7.702 8.260 1.00 0.00 C ATOM 814 O LYS A 51 -8.233 6.990 8.445 1.00 0.00 O ATOM 815 CB LYS A 51 -8.142 9.710 7.056 1.00 0.00 C ATOM 816 CG LYS A 51 -9.539 9.121 6.943 1.00 0.00 C ATOM 817 CD LYS A 51 -9.567 7.929 6.000 1.00 0.00 C ATOM 818 CE LYS A 51 -10.906 7.209 6.051 1.00 0.00 C ATOM 819 NZ LYS A 51 -10.865 6.024 6.951 1.00 0.00 N ATOM 0 H LYS A 51 -5.599 9.948 7.436 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.919 9.510 9.186 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.216 10.797 7.087 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.576 9.455 6.160 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.886 8.814 7.930 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.229 9.885 6.586 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.372 8.265 4.982 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.769 7.235 6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.677 7.899 6.394 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.186 6.892 5.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.738 5.986 7.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.783 5.158 6.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.045 6.099 7.587 1.00 0.00 H new ATOM 833 N TRP A 52 -6.033 7.207 8.019 1.00 0.00 N ATOM 834 CA TRP A 52 -5.789 5.769 7.959 1.00 0.00 C ATOM 835 C TRP A 52 -5.074 5.273 9.212 1.00 0.00 C ATOM 836 O TRP A 52 -5.450 4.255 9.795 1.00 0.00 O ATOM 837 CB TRP A 52 -4.948 5.426 6.726 1.00 0.00 C ATOM 838 CG TRP A 52 -5.765 5.146 5.501 1.00 0.00 C ATOM 839 CD1 TRP A 52 -5.620 5.721 4.271 1.00 0.00 C ATOM 840 CD2 TRP A 52 -6.851 4.219 5.387 1.00 0.00 C ATOM 841 NE1 TRP A 52 -6.551 5.210 3.400 1.00 0.00 N ATOM 842 CE2 TRP A 52 -7.318 4.287 4.060 1.00 0.00 C ATOM 843 CE3 TRP A 52 -7.475 3.338 6.277 1.00 0.00 C ATOM 844 CZ2 TRP A 52 -8.378 3.508 3.603 1.00 0.00 C ATOM 845 CZ3 TRP A 52 -8.528 2.567 5.821 1.00 0.00 C ATOM 846 CH2 TRP A 52 -8.969 2.655 4.495 1.00 0.00 C ATOM 0 H TRP A 52 -5.205 7.782 7.862 1.00 0.00 H new ATOM 0 HA TRP A 52 -6.757 5.273 7.894 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.269 6.253 6.518 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -4.331 4.555 6.948 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -4.882 6.468 4.020 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -6.654 5.475 2.420 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -7.140 3.262 7.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -8.721 3.575 2.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -9.019 1.885 6.499 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -9.793 2.037 4.169 1.00 0.00 H new ATOM 857 N GLU A 53 -4.048 6.007 9.631 1.00 0.00 N ATOM 858 CA GLU A 53 -3.286 5.643 10.817 1.00 0.00 C ATOM 859 C GLU A 53 -4.210 5.449 12.002 1.00 0.00 C ATOM 860 O GLU A 53 -3.952 4.626 12.882 1.00 0.00 O ATOM 861 CB GLU A 53 -2.236 6.713 11.137 1.00 0.00 C ATOM 862 CG GLU A 53 -2.696 7.765 12.139 1.00 0.00 C ATOM 863 CD GLU A 53 -2.400 7.371 13.573 1.00 0.00 C ATOM 864 OE1 GLU A 53 -1.213 7.396 13.963 1.00 0.00 O ATOM 865 OE2 GLU A 53 -3.354 7.038 14.307 1.00 0.00 O ATOM 0 H GLU A 53 -3.727 6.856 9.166 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.772 4.703 10.615 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.343 6.224 11.526 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.949 7.211 10.211 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.205 8.712 11.917 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.768 7.927 12.024 1.00 0.00 H new ATOM 872 N ASP A 54 -5.284 6.220 12.023 1.00 0.00 N ATOM 873 CA ASP A 54 -6.235 6.135 13.106 1.00 0.00 C ATOM 874 C ASP A 54 -6.988 4.832 13.043 1.00 0.00 C ATOM 875 O ASP A 54 -7.337 4.267 14.074 1.00 0.00 O ATOM 876 CB ASP A 54 -7.199 7.322 13.091 1.00 0.00 C ATOM 877 CG ASP A 54 -8.066 7.379 14.334 1.00 0.00 C ATOM 878 OD1 ASP A 54 -9.135 6.733 14.342 1.00 0.00 O ATOM 879 OD2 ASP A 54 -7.676 8.070 15.298 1.00 0.00 O ATOM 0 H ASP A 54 -5.514 6.907 11.305 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.683 6.170 14.045 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.630 8.248 13.006 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.837 7.258 12.209 1.00 0.00 H new ATOM 884 N ALA A 55 -7.202 4.327 11.839 1.00 0.00 N ATOM 885 CA ALA A 55 -7.876 3.056 11.690 1.00 0.00 C ATOM 886 C ALA A 55 -7.101 2.008 12.474 1.00 0.00 C ATOM 887 O ALA A 55 -7.681 1.183 13.176 1.00 0.00 O ATOM 888 CB ALA A 55 -7.984 2.671 10.222 1.00 0.00 C ATOM 0 H ALA A 55 -6.922 4.773 10.965 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.892 3.127 12.079 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.494 1.712 10.134 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.550 3.433 9.687 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.985 2.591 9.792 1.00 0.00 H new ATOM 894 N ALA A 56 -5.776 2.046 12.327 1.00 0.00 N ATOM 895 CA ALA A 56 -4.891 1.097 13.001 1.00 0.00 C ATOM 896 C ALA A 56 -5.062 1.150 14.512 1.00 0.00 C ATOM 897 O ALA A 56 -5.254 0.122 15.158 1.00 0.00 O ATOM 898 CB ALA A 56 -3.446 1.378 12.636 1.00 0.00 C ATOM 0 H ALA A 56 -5.291 2.728 11.744 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.162 0.096 12.665 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.797 0.665 13.144 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.318 1.281 11.558 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.183 2.390 12.943 1.00 0.00 H new ATOM 904 N ALA A 57 -5.009 2.356 15.074 1.00 0.00 N ATOM 905 CA ALA A 57 -5.179 2.523 16.511 1.00 0.00 C ATOM 906 C ALA A 57 -6.604 2.159 16.913 1.00 0.00 C ATOM 907 O ALA A 57 -6.867 1.775 18.051 1.00 0.00 O ATOM 908 CB ALA A 57 -4.858 3.953 16.922 1.00 0.00 C ATOM 0 H ALA A 57 -4.851 3.223 14.560 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.488 1.856 17.026 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.990 4.061 17.999 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.826 4.184 16.658 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.528 4.639 16.404 1.00 0.00 H new ATOM 914 N LYS A 58 -7.513 2.281 15.952 1.00 0.00 N ATOM 915 CA LYS A 58 -8.913 1.965 16.175 1.00 0.00 C ATOM 916 C LYS A 58 -9.138 0.461 16.081 1.00 0.00 C ATOM 917 O LYS A 58 -9.940 -0.102 16.828 1.00 0.00 O ATOM 918 CB LYS A 58 -9.803 2.714 15.169 1.00 0.00 C ATOM 919 CG LYS A 58 -10.590 1.813 14.226 1.00 0.00 C ATOM 920 CD LYS A 58 -11.519 2.618 13.333 1.00 0.00 C ATOM 921 CE LYS A 58 -12.692 3.188 14.115 1.00 0.00 C ATOM 922 NZ LYS A 58 -13.055 4.555 13.655 1.00 0.00 N ATOM 0 H LYS A 58 -7.300 2.599 15.006 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.187 2.291 17.178 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.504 3.341 15.720 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.177 3.380 14.576 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.899 1.238 13.610 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.172 1.097 14.806 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.962 3.431 12.867 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.891 1.984 12.528 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.554 2.529 14.009 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -12.441 3.217 15.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.859 4.907 14.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.241 5.191 13.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.319 4.524 12.650 1.00 0.00 H new ATOM 936 N ASP A 59 -8.439 -0.189 15.154 1.00 0.00 N ATOM 937 CA ASP A 59 -8.588 -1.620 14.970 1.00 0.00 C ATOM 938 C ASP A 59 -7.844 -2.384 16.053 1.00 0.00 C ATOM 939 O ASP A 59 -8.310 -3.420 16.508 1.00 0.00 O ATOM 940 CB ASP A 59 -8.093 -2.033 13.583 1.00 0.00 C ATOM 941 CG ASP A 59 -8.387 -3.487 13.268 1.00 0.00 C ATOM 942 OD1 ASP A 59 -8.331 -4.319 14.198 1.00 0.00 O ATOM 943 OD2 ASP A 59 -8.674 -3.792 12.092 1.00 0.00 O ATOM 0 H ASP A 59 -7.769 0.254 14.525 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.647 -1.867 15.048 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.563 -1.400 12.830 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.019 -1.861 13.519 1.00 0.00 H new ATOM 948 N LYS A 60 -6.685 -1.877 16.469 1.00 0.00 N ATOM 949 CA LYS A 60 -5.909 -2.541 17.505 1.00 0.00 C ATOM 950 C LYS A 60 -6.717 -2.562 18.788 1.00 0.00 C ATOM 951 O LYS A 60 -6.705 -3.529 19.548 1.00 0.00 O ATOM 952 CB LYS A 60 -4.557 -1.836 17.708 1.00 0.00 C ATOM 953 CG LYS A 60 -4.478 -0.960 18.954 1.00 0.00 C ATOM 954 CD LYS A 60 -4.199 -1.787 20.199 1.00 0.00 C ATOM 955 CE LYS A 60 -3.364 -1.013 21.206 1.00 0.00 C ATOM 956 NZ LYS A 60 -3.215 -1.752 22.490 1.00 0.00 N ATOM 0 H LYS A 60 -6.269 -1.019 16.107 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.696 -3.566 17.202 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.773 -2.591 17.761 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.348 -1.220 16.833 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.693 -0.215 18.827 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.415 -0.417 19.079 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.142 -2.084 20.658 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.678 -2.703 19.920 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.378 -0.815 20.785 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.829 -0.046 21.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.639 -1.190 23.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.154 -1.919 22.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.748 -2.664 22.313 1.00 0.00 H new ATOM 970 N GLN A 61 -7.414 -1.468 19.003 1.00 0.00 N ATOM 971 CA GLN A 61 -8.238 -1.299 20.163 1.00 0.00 C ATOM 972 C GLN A 61 -9.524 -2.077 20.020 1.00 0.00 C ATOM 973 O GLN A 61 -9.981 -2.699 20.965 1.00 0.00 O ATOM 974 CB GLN A 61 -8.535 0.170 20.397 1.00 0.00 C ATOM 975 CG GLN A 61 -7.988 0.653 21.715 1.00 0.00 C ATOM 976 CD GLN A 61 -9.052 1.278 22.594 1.00 0.00 C ATOM 977 OE1 GLN A 61 -9.597 2.336 22.277 1.00 0.00 O ATOM 978 NE2 GLN A 61 -9.352 0.625 23.711 1.00 0.00 N ATOM 0 H GLN A 61 -7.420 -0.669 18.369 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.695 -1.685 21.026 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.105 0.760 19.588 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -9.613 0.331 20.371 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.531 -0.184 22.243 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.199 1.383 21.531 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.876 -0.249 23.935 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.059 0.997 24.345 1.00 0.00 H new ATOM 987 N ARG A 62 -10.110 -2.044 18.843 1.00 0.00 N ATOM 988 CA ARG A 62 -11.343 -2.763 18.628 1.00 0.00 C ATOM 989 C ARG A 62 -11.100 -4.270 18.567 1.00 0.00 C ATOM 990 O ARG A 62 -12.038 -5.061 18.674 1.00 0.00 O ATOM 991 CB ARG A 62 -12.028 -2.303 17.347 1.00 0.00 C ATOM 992 CG ARG A 62 -12.999 -3.334 16.805 1.00 0.00 C ATOM 993 CD ARG A 62 -13.614 -2.890 15.490 1.00 0.00 C ATOM 994 NE ARG A 62 -12.608 -2.765 14.436 1.00 0.00 N ATOM 995 CZ ARG A 62 -12.882 -2.388 13.189 1.00 0.00 C ATOM 996 NH1 ARG A 62 -14.129 -2.099 12.836 1.00 0.00 N ATOM 997 NH2 ARG A 62 -11.909 -2.301 12.294 1.00 0.00 N ATOM 0 H ARG A 62 -9.758 -1.535 18.032 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.995 -2.547 19.474 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.561 -1.372 17.538 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.272 -2.088 16.592 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -12.481 -4.282 16.662 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.789 -3.509 17.535 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.375 -3.608 15.183 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -14.117 -1.933 15.628 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.639 -2.979 14.670 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -14.881 -2.165 13.521 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.334 -1.811 11.879 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.950 -2.523 12.560 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.119 -2.012 11.339 1.00 0.00 H new ATOM 1011 N TYR A 63 -9.847 -4.664 18.390 1.00 0.00 N ATOM 1012 CA TYR A 63 -9.511 -6.081 18.308 1.00 0.00 C ATOM 1013 C TYR A 63 -9.277 -6.615 19.698 1.00 0.00 C ATOM 1014 O TYR A 63 -9.892 -7.585 20.117 1.00 0.00 O ATOM 1015 CB TYR A 63 -8.266 -6.310 17.431 1.00 0.00 C ATOM 1016 CG TYR A 63 -7.188 -7.148 18.094 1.00 0.00 C ATOM 1017 CD1 TYR A 63 -7.212 -8.534 18.018 1.00 0.00 C ATOM 1018 CD2 TYR A 63 -6.158 -6.550 18.809 1.00 0.00 C ATOM 1019 CE1 TYR A 63 -6.240 -9.300 18.629 1.00 0.00 C ATOM 1020 CE2 TYR A 63 -5.183 -7.311 19.428 1.00 0.00 C ATOM 1021 CZ TYR A 63 -5.228 -8.685 19.334 1.00 0.00 C ATOM 1022 OH TYR A 63 -4.264 -9.446 19.954 1.00 0.00 O ATOM 0 H TYR A 63 -9.052 -4.031 18.301 1.00 0.00 H new ATOM 0 HA TYR A 63 -10.342 -6.612 17.844 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.572 -6.797 16.505 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.843 -5.343 17.159 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.005 -9.022 17.471 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.118 -5.473 18.883 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.272 -10.377 18.555 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.390 -6.831 19.982 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.674 -10.255 20.325 1.00 0.00 H new ATOM 1032 N HIS A 64 -8.411 -5.935 20.419 1.00 0.00 N ATOM 1033 CA HIS A 64 -8.101 -6.278 21.775 1.00 0.00 C ATOM 1034 C HIS A 64 -9.306 -5.977 22.666 1.00 0.00 C ATOM 1035 O HIS A 64 -9.359 -6.373 23.827 1.00 0.00 O ATOM 1036 CB HIS A 64 -6.903 -5.461 22.212 1.00 0.00 C ATOM 1037 CG HIS A 64 -7.318 -4.216 22.877 1.00 0.00 C ATOM 1038 ND1 HIS A 64 -8.131 -3.328 22.257 1.00 0.00 N ATOM 1039 CD2 HIS A 64 -7.093 -3.739 24.110 1.00 0.00 C ATOM 1040 CE1 HIS A 64 -8.401 -2.337 23.062 1.00 0.00 C ATOM 1041 NE2 HIS A 64 -7.782 -2.553 24.211 1.00 0.00 N ATOM 0 H HIS A 64 -7.902 -5.123 20.070 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.868 -7.340 21.857 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.287 -6.050 22.891 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.286 -5.224 21.345 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -8.480 -3.420 21.303 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -6.487 -4.198 24.877 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -9.024 -1.486 22.830 1.00 0.00 H new ATOM 1050 N ASP A 65 -10.241 -5.219 22.115 1.00 0.00 N ATOM 1051 CA ASP A 65 -11.425 -4.833 22.846 1.00 0.00 C ATOM 1052 C ASP A 65 -12.408 -5.982 22.900 1.00 0.00 C ATOM 1053 O ASP A 65 -13.403 -5.906 23.624 1.00 0.00 O ATOM 1054 CB ASP A 65 -12.103 -3.626 22.201 1.00 0.00 C ATOM 1055 CG ASP A 65 -11.769 -2.326 22.906 1.00 0.00 C ATOM 1056 OD1 ASP A 65 -11.553 -2.355 24.135 1.00 0.00 O ATOM 1057 OD2 ASP A 65 -11.721 -1.278 22.228 1.00 0.00 O ATOM 0 H ASP A 65 -10.197 -4.861 21.161 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.115 -4.566 23.856 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.799 -3.558 21.157 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.183 -3.773 22.209 1.00 0.00 H new ATOM 1062 N GLU A 66 -12.174 -7.040 22.117 1.00 0.00 N ATOM 1063 CA GLU A 66 -13.111 -8.121 22.116 1.00 0.00 C ATOM 1064 C GLU A 66 -12.542 -9.327 21.430 1.00 0.00 C ATOM 1065 O GLU A 66 -12.843 -10.459 21.807 1.00 0.00 O ATOM 1066 CB GLU A 66 -14.399 -7.688 21.417 1.00 0.00 C ATOM 1067 CG GLU A 66 -14.216 -7.380 19.939 1.00 0.00 C ATOM 1068 CD GLU A 66 -15.097 -6.239 19.469 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -16.276 -6.494 19.144 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -14.609 -5.090 19.425 1.00 0.00 O ATOM 0 H GLU A 66 -11.368 -7.153 21.503 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.328 -8.387 23.151 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.144 -8.476 21.526 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.795 -6.804 21.917 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.172 -7.130 19.750 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.441 -8.272 19.355 1.00 0.00 H new ATOM 1077 N MET A 67 -11.732 -9.109 20.404 1.00 0.00 N ATOM 1078 CA MET A 67 -11.152 -10.193 19.662 1.00 0.00 C ATOM 1079 C MET A 67 -9.666 -10.293 19.965 1.00 0.00 C ATOM 1080 O MET A 67 -8.927 -10.965 19.245 1.00 0.00 O ATOM 1081 CB MET A 67 -11.359 -9.908 18.179 1.00 0.00 C ATOM 1082 CG MET A 67 -12.696 -9.240 17.882 1.00 0.00 C ATOM 1083 SD MET A 67 -13.157 -9.300 16.137 1.00 0.00 S ATOM 1084 CE MET A 67 -12.764 -10.998 15.728 1.00 0.00 C ATOM 0 H MET A 67 -11.467 -8.181 20.073 1.00 0.00 H new ATOM 0 HA MET A 67 -11.623 -11.136 19.938 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.552 -9.268 17.822 1.00 0.00 H new ATOM 0 HB3 MET A 67 -11.295 -10.843 17.623 1.00 0.00 H new ATOM 0 HG2 MET A 67 -13.474 -9.724 18.472 1.00 0.00 H new ATOM 0 HG3 MET A 67 -12.653 -8.199 18.203 1.00 0.00 H new ATOM 0 HE1 MET A 67 -12.029 -11.018 14.924 1.00 0.00 H new ATOM 0 HE2 MET A 67 -12.355 -11.498 16.606 1.00 0.00 H new ATOM 0 HE3 MET A 67 -13.669 -11.513 15.405 1.00 0.00 H new ATOM 1094 N ARG A 68 -9.238 -9.625 21.043 1.00 0.00 N ATOM 1095 CA ARG A 68 -7.840 -9.646 21.454 1.00 0.00 C ATOM 1096 C ARG A 68 -7.303 -11.023 21.193 1.00 0.00 C ATOM 1097 O ARG A 68 -6.279 -11.207 20.535 1.00 0.00 O ATOM 1098 CB ARG A 68 -7.682 -9.307 22.950 1.00 0.00 C ATOM 1099 CG ARG A 68 -8.879 -9.676 23.821 1.00 0.00 C ATOM 1100 CD ARG A 68 -10.058 -8.752 23.610 1.00 0.00 C ATOM 1101 NE ARG A 68 -10.584 -8.235 24.873 1.00 0.00 N ATOM 1102 CZ ARG A 68 -11.163 -8.996 25.800 1.00 0.00 C ATOM 1103 NH1 ARG A 68 -11.292 -10.303 25.611 1.00 0.00 N ATOM 1104 NH2 ARG A 68 -11.615 -8.446 26.920 1.00 0.00 N ATOM 0 H ARG A 68 -9.844 -9.065 21.643 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.291 -8.894 20.888 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.800 -9.821 23.333 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.496 -8.238 23.048 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.181 -10.700 23.602 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.583 -9.648 24.870 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.756 -7.919 22.975 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.847 -9.286 23.081 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.503 -7.235 25.054 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.947 -10.731 24.752 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.736 -10.880 26.325 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.519 -7.442 27.070 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.059 -9.028 27.631 1.00 0.00 H new ATOM 1118 N ASN A 69 -8.007 -11.991 21.735 1.00 0.00 N ATOM 1119 CA ASN A 69 -7.615 -13.385 21.584 1.00 0.00 C ATOM 1120 C ASN A 69 -8.452 -14.077 20.510 1.00 0.00 C ATOM 1121 O ASN A 69 -7.920 -14.789 19.659 1.00 0.00 O ATOM 1122 CB ASN A 69 -7.763 -14.113 22.920 1.00 0.00 C ATOM 1123 CG ASN A 69 -9.211 -14.276 23.343 1.00 0.00 C ATOM 1124 OD1 ASN A 69 -9.894 -15.204 22.914 1.00 0.00 O ATOM 1125 ND2 ASN A 69 -9.685 -13.368 24.190 1.00 0.00 N ATOM 0 H ASN A 69 -8.854 -11.845 22.285 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.572 -13.417 21.271 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.298 -15.096 22.846 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.224 -13.562 23.691 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -10.652 -13.425 24.510 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.082 -12.615 24.520 1.00 0.00 H new ATOM 1132 N TYR A 70 -9.763 -13.862 20.558 1.00 0.00 N ATOM 1133 CA TYR A 70 -10.673 -14.466 19.592 1.00 0.00 C ATOM 1134 C TYR A 70 -10.639 -15.987 19.689 1.00 0.00 C ATOM 1135 O TYR A 70 -9.612 -16.576 20.029 1.00 0.00 O ATOM 1136 CB TYR A 70 -10.311 -14.027 18.172 1.00 0.00 C ATOM 1137 CG TYR A 70 -11.405 -14.286 17.160 1.00 0.00 C ATOM 1138 CD1 TYR A 70 -12.727 -13.962 17.439 1.00 0.00 C ATOM 1139 CD2 TYR A 70 -11.115 -14.855 15.927 1.00 0.00 C ATOM 1140 CE1 TYR A 70 -13.729 -14.198 16.518 1.00 0.00 C ATOM 1141 CE2 TYR A 70 -12.113 -15.095 15.000 1.00 0.00 C ATOM 1142 CZ TYR A 70 -13.417 -14.764 15.301 1.00 0.00 C ATOM 1143 OH TYR A 70 -14.413 -15.001 14.381 1.00 0.00 O ATOM 0 H TYR A 70 -10.219 -13.274 21.256 1.00 0.00 H new ATOM 0 HA TYR A 70 -11.683 -14.127 19.823 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.078 -12.962 18.178 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -9.407 -14.549 17.859 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -12.975 -13.518 18.392 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -10.094 -15.114 15.688 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -14.752 -13.940 16.751 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -11.872 -15.539 14.046 1.00 0.00 H new ATOM 0 HH TYR A 70 -15.231 -15.272 14.847 1.00 0.00 H new ATOM 1153 N LYS A 71 -11.769 -16.621 19.390 1.00 0.00 N ATOM 1154 CA LYS A 71 -11.868 -18.074 19.444 1.00 0.00 C ATOM 1155 C LYS A 71 -11.645 -18.687 18.062 1.00 0.00 C ATOM 1156 O LYS A 71 -12.035 -18.108 17.048 1.00 0.00 O ATOM 1157 CB LYS A 71 -13.237 -18.492 19.986 1.00 0.00 C ATOM 1158 CG LYS A 71 -13.167 -19.591 21.034 1.00 0.00 C ATOM 1159 CD LYS A 71 -14.278 -19.453 22.062 1.00 0.00 C ATOM 1160 CE LYS A 71 -14.536 -20.765 22.783 1.00 0.00 C ATOM 1161 NZ LYS A 71 -14.949 -21.843 21.843 1.00 0.00 N ATOM 0 H LYS A 71 -12.629 -16.150 19.108 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.091 -18.442 20.114 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.729 -17.620 20.418 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.859 -18.831 19.157 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.239 -20.564 20.548 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.200 -19.556 21.535 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.010 -18.685 22.787 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.192 -19.122 21.569 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.634 -21.071 23.313 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.313 -20.620 23.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.534 -22.539 22.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.498 -21.431 21.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.104 -22.314 21.462 1.00 0.00 H new ATOM 1175 N PRO A 72 -11.009 -19.871 18.004 1.00 0.00 N ATOM 1176 CA PRO A 72 -10.737 -20.557 16.737 1.00 0.00 C ATOM 1177 C PRO A 72 -12.001 -21.134 16.107 1.00 0.00 C ATOM 1178 O PRO A 72 -12.126 -22.347 15.938 1.00 0.00 O ATOM 1179 CB PRO A 72 -9.779 -21.678 17.141 1.00 0.00 C ATOM 1180 CG PRO A 72 -10.101 -21.952 18.569 1.00 0.00 C ATOM 1181 CD PRO A 72 -10.508 -20.632 19.164 1.00 0.00 C ATOM 0 HA PRO A 72 -10.330 -19.881 15.985 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.925 -22.565 16.525 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.739 -21.373 17.021 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.905 -22.683 18.654 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.238 -22.366 19.091 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -11.278 -20.755 19.926 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.666 -20.130 19.640 1.00 0.00 H new ATOM 1189 N GLU A 73 -12.937 -20.255 15.762 1.00 0.00 N ATOM 1190 CA GLU A 73 -14.193 -20.676 15.152 1.00 0.00 C ATOM 1191 C GLU A 73 -13.959 -21.212 13.742 1.00 0.00 C ATOM 1192 O GLU A 73 -14.668 -22.108 13.282 1.00 0.00 O ATOM 1193 CB GLU A 73 -15.181 -19.509 15.109 1.00 0.00 C ATOM 1194 CG GLU A 73 -14.651 -18.290 14.372 1.00 0.00 C ATOM 1195 CD GLU A 73 -15.758 -17.371 13.896 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -16.316 -16.631 14.734 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -16.068 -17.390 12.687 1.00 0.00 O ATOM 0 H GLU A 73 -12.849 -19.247 15.894 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.614 -21.476 15.761 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -16.102 -19.841 14.630 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.438 -19.223 16.129 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.981 -17.736 15.029 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.061 -18.616 13.516 1.00 0.00 H new ATOM 1204 N ALA A 74 -12.961 -20.658 13.061 1.00 0.00 N ATOM 1205 CA ALA A 74 -12.635 -21.079 11.705 1.00 0.00 C ATOM 1206 C ALA A 74 -11.739 -22.313 11.714 1.00 0.00 C ATOM 1207 O ALA A 74 -12.116 -23.322 11.083 1.00 0.00 O ATOM 1208 CB ALA A 74 -11.965 -19.943 10.947 1.00 0.00 C ATOM 1209 OXT ALA A 74 -10.666 -22.260 12.353 1.00 0.00 O ATOM 0 H ALA A 74 -12.364 -19.916 13.427 1.00 0.00 H new ATOM 0 HA ALA A 74 -13.564 -21.341 11.199 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.727 -20.271 9.935 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.640 -19.088 10.902 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.048 -19.654 11.460 1.00 0.00 H new TER 1215 ALA A 74