USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 768 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 20 GLN :FLIP amide:sc= -1.98 F(o=-3.9,f=-1.7) USER MOD Set 1.2: A 90 TYR OH : rot -150:sc= 0.231 USER MOD Set 2.1: A 18 LYS NZ :NH3+ -173:sc= -0.508 (180deg=-0.577) USER MOD Set 2.2: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 14 HIS : no HE2:sc= -3.72 X(o=-13,f=-14!) USER MOD Set 3.2: A 91 HIS : no HE2:sc= -9.46! C(o=-13!,f=-17!) USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0724 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0371 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -141:sc= 0.282 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= -6.44! USER MOD Single : A 13 SER OG : rot 16:sc= 0.401 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.63 F(o=-1.7,f=-0.63) USER MOD Single : A 31 LYS NZ :NH3+ -112:sc= 1.21 (180deg=-1.23) USER MOD Single : A 35 LYS NZ :NH3+ -119:sc= -0.0928 (180deg=-2.1!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 105:sc= -7.02! USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 104:sc= 1.19 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0543) USER MOD Single : A 64 MET CE :methyl -144:sc= -0.767 (180deg=-0.955) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.176 K(o=-0.18,f=-1.8!) USER MOD Single : A 81 SER OG : rot -100:sc= -0.235 USER MOD Single : A 85 LYS NZ :NH3+ -160:sc= 0.992 (180deg=0.205) USER MOD Single : A 86 SER OG : rot 130:sc= -0.13 USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.385) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.203 3.867 11.915 1.00 0.00 N ATOM 2 CA GLY A 1 17.202 3.729 10.818 1.00 0.00 C ATOM 3 C GLY A 1 18.332 4.737 10.929 1.00 0.00 C ATOM 4 O GLY A 1 18.309 5.604 11.801 1.00 0.00 O ATOM 0 H1 GLY A 1 16.297 3.067 12.573 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.370 4.757 12.426 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.244 3.873 11.513 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.616 2.721 10.833 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.702 3.854 9.858 1.00 0.00 H new ATOM 10 N PRO A 2 19.346 4.646 10.050 1.00 0.00 N ATOM 11 CA PRO A 2 20.488 5.564 10.065 1.00 0.00 C ATOM 12 C PRO A 2 20.102 6.973 9.625 1.00 0.00 C ATOM 13 O PRO A 2 18.939 7.243 9.325 1.00 0.00 O ATOM 14 CB PRO A 2 21.462 4.939 9.064 1.00 0.00 C ATOM 15 CG PRO A 2 20.600 4.149 8.141 1.00 0.00 C ATOM 16 CD PRO A 2 19.456 3.641 8.975 1.00 0.00 C ATOM 0 HA PRO A 2 20.904 5.681 11.066 1.00 0.00 H new ATOM 0 HB2 PRO A 2 22.022 5.704 8.526 1.00 0.00 H new ATOM 0 HB3 PRO A 2 22.192 4.303 9.566 1.00 0.00 H new ATOM 0 HG2 PRO A 2 20.239 4.767 7.319 1.00 0.00 H new ATOM 0 HG3 PRO A 2 21.157 3.323 7.698 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.536 3.570 8.395 1.00 0.00 H new ATOM 0 HD3 PRO A 2 19.659 2.647 9.373 1.00 0.00 H new ATOM 24 N MET A 3 21.085 7.866 9.587 1.00 0.00 N ATOM 25 CA MET A 3 20.847 9.246 9.184 1.00 0.00 C ATOM 26 C MET A 3 20.517 9.328 7.697 1.00 0.00 C ATOM 27 O MET A 3 21.270 8.837 6.856 1.00 0.00 O ATOM 28 CB MET A 3 22.073 10.110 9.494 1.00 0.00 C ATOM 29 CG MET A 3 22.126 10.595 10.933 1.00 0.00 C ATOM 30 SD MET A 3 23.783 11.100 11.433 1.00 0.00 S ATOM 31 CE MET A 3 23.567 11.265 13.204 1.00 0.00 C ATOM 0 H MET A 3 22.054 7.658 9.830 1.00 0.00 H new ATOM 0 HA MET A 3 19.994 9.621 9.750 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.975 9.537 9.279 1.00 0.00 H new ATOM 0 HB3 MET A 3 22.077 10.973 8.828 1.00 0.00 H new ATOM 0 HG2 MET A 3 21.442 11.435 11.055 1.00 0.00 H new ATOM 0 HG3 MET A 3 21.777 9.801 11.593 1.00 0.00 H new ATOM 0 HE1 MET A 3 24.509 11.573 13.658 1.00 0.00 H new ATOM 0 HE2 MET A 3 22.803 12.014 13.409 1.00 0.00 H new ATOM 0 HE3 MET A 3 23.258 10.308 13.624 1.00 0.00 H new ATOM 41 N GLY A 4 19.387 9.950 7.380 1.00 0.00 N ATOM 42 CA GLY A 4 18.976 10.083 5.995 1.00 0.00 C ATOM 43 C GLY A 4 17.843 9.143 5.633 1.00 0.00 C ATOM 44 O GLY A 4 17.857 8.524 4.569 1.00 0.00 O ATOM 0 H GLY A 4 18.748 10.365 8.058 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.665 11.111 5.809 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.829 9.886 5.346 1.00 0.00 H new ATOM 48 N SER A 5 16.861 9.034 6.521 1.00 0.00 N ATOM 49 CA SER A 5 15.716 8.161 6.290 1.00 0.00 C ATOM 50 C SER A 5 14.831 8.709 5.176 1.00 0.00 C ATOM 51 O SER A 5 14.832 9.909 4.900 1.00 0.00 O ATOM 52 CB SER A 5 14.901 8.004 7.575 1.00 0.00 C ATOM 53 OG SER A 5 13.683 7.321 7.327 1.00 0.00 O ATOM 0 H SER A 5 16.835 9.539 7.407 1.00 0.00 H new ATOM 0 HA SER A 5 16.091 7.184 5.984 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.485 7.456 8.315 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.691 8.986 7.998 1.00 0.00 H new ATOM 0 HG SER A 5 13.182 7.232 8.164 1.00 0.00 H new ATOM 59 N MET A 6 14.075 7.820 4.537 1.00 0.00 N ATOM 60 CA MET A 6 13.185 8.215 3.452 1.00 0.00 C ATOM 61 C MET A 6 11.884 7.420 3.499 1.00 0.00 C ATOM 62 O MET A 6 11.683 6.492 2.715 1.00 0.00 O ATOM 63 CB MET A 6 13.873 8.009 2.100 1.00 0.00 C ATOM 64 CG MET A 6 13.255 8.823 0.973 1.00 0.00 C ATOM 65 SD MET A 6 13.472 8.049 -0.640 1.00 0.00 S ATOM 66 CE MET A 6 14.576 9.218 -1.430 1.00 0.00 C ATOM 0 H MET A 6 14.062 6.823 4.752 1.00 0.00 H new ATOM 0 HA MET A 6 12.949 9.272 3.575 1.00 0.00 H new ATOM 0 HB2 MET A 6 14.926 8.274 2.193 1.00 0.00 H new ATOM 0 HB3 MET A 6 13.832 6.952 1.838 1.00 0.00 H new ATOM 0 HG2 MET A 6 12.191 8.957 1.168 1.00 0.00 H new ATOM 0 HG3 MET A 6 13.704 9.816 0.959 1.00 0.00 H new ATOM 0 HE1 MET A 6 14.805 8.877 -2.440 1.00 0.00 H new ATOM 0 HE2 MET A 6 14.097 10.196 -1.477 1.00 0.00 H new ATOM 0 HE3 MET A 6 15.499 9.293 -0.855 1.00 0.00 H new ATOM 76 N ALA A 7 11.003 7.789 4.424 1.00 0.00 N ATOM 77 CA ALA A 7 9.722 7.108 4.569 1.00 0.00 C ATOM 78 C ALA A 7 8.558 8.083 4.440 1.00 0.00 C ATOM 79 O ALA A 7 7.471 7.840 4.964 1.00 0.00 O ATOM 80 CB ALA A 7 9.657 6.380 5.903 1.00 0.00 C ATOM 0 H ALA A 7 11.153 8.554 5.082 1.00 0.00 H new ATOM 0 HA ALA A 7 9.638 6.378 3.764 1.00 0.00 H new ATOM 0 HB1 ALA A 7 8.695 5.877 5.996 1.00 0.00 H new ATOM 0 HB2 ALA A 7 10.459 5.643 5.955 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.771 7.098 6.715 1.00 0.00 H new ATOM 86 N ASP A 8 8.786 9.187 3.730 1.00 0.00 N ATOM 87 CA ASP A 8 7.748 10.194 3.526 1.00 0.00 C ATOM 88 C ASP A 8 6.501 9.557 2.927 1.00 0.00 C ATOM 89 O ASP A 8 5.387 9.754 3.415 1.00 0.00 O ATOM 90 CB ASP A 8 8.261 11.298 2.602 1.00 0.00 C ATOM 91 CG ASP A 8 9.327 12.153 3.258 1.00 0.00 C ATOM 92 OD1 ASP A 8 9.030 12.781 4.296 1.00 0.00 O ATOM 93 OD2 ASP A 8 10.461 12.194 2.735 1.00 0.00 O ATOM 0 H ASP A 8 9.679 9.406 3.288 1.00 0.00 H new ATOM 0 HA ASP A 8 7.492 10.628 4.492 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.666 10.849 1.695 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.427 11.931 2.299 1.00 0.00 H new ATOM 98 N LYS A 9 6.705 8.779 1.870 1.00 0.00 N ATOM 99 CA LYS A 9 5.613 8.090 1.196 1.00 0.00 C ATOM 100 C LYS A 9 5.364 6.733 1.839 1.00 0.00 C ATOM 101 O LYS A 9 6.049 6.362 2.792 1.00 0.00 O ATOM 102 CB LYS A 9 5.875 8.006 -0.316 1.00 0.00 C ATOM 103 CG LYS A 9 6.640 6.784 -0.763 1.00 0.00 C ATOM 104 CD LYS A 9 8.131 6.963 -0.526 1.00 0.00 C ATOM 105 CE LYS A 9 8.826 7.481 -1.774 1.00 0.00 C ATOM 106 NZ LYS A 9 10.251 7.056 -1.836 1.00 0.00 N ATOM 0 H LYS A 9 7.623 8.610 1.460 1.00 0.00 H new ATOM 0 HA LYS A 9 4.694 8.664 1.316 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.918 8.028 -0.837 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.426 8.894 -0.624 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.284 5.908 -0.221 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.455 6.601 -1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.290 7.659 0.298 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.572 6.011 -0.229 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.301 7.119 -2.658 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.771 8.569 -1.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.830 7.836 -2.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.580 6.805 -0.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.340 6.230 -2.461 1.00 0.00 H new ATOM 120 N ILE A 10 4.367 6.006 1.348 1.00 0.00 N ATOM 121 CA ILE A 10 4.037 4.713 1.932 1.00 0.00 C ATOM 122 C ILE A 10 4.409 3.591 1.012 1.00 0.00 C ATOM 123 O ILE A 10 4.385 3.722 -0.207 1.00 0.00 O ATOM 124 CB ILE A 10 2.541 4.557 2.267 1.00 0.00 C ATOM 125 CG1 ILE A 10 1.908 5.905 2.554 1.00 0.00 C ATOM 126 CG2 ILE A 10 2.370 3.636 3.465 1.00 0.00 C ATOM 127 CD1 ILE A 10 2.582 6.628 3.691 1.00 0.00 C ATOM 0 H ILE A 10 3.782 6.284 0.560 1.00 0.00 H new ATOM 0 HA ILE A 10 4.612 4.670 2.857 1.00 0.00 H new ATOM 0 HB ILE A 10 2.040 4.120 1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.954 6.523 1.657 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.853 5.765 2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.310 3.531 3.695 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.790 2.657 3.234 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.888 4.059 4.326 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.090 7.587 3.855 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.514 6.026 4.597 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.631 6.795 3.445 1.00 0.00 H new ATOM 139 N LYS A 11 4.754 2.486 1.622 1.00 0.00 N ATOM 140 CA LYS A 11 5.149 1.311 0.894 1.00 0.00 C ATOM 141 C LYS A 11 4.292 0.134 1.309 1.00 0.00 C ATOM 142 O LYS A 11 4.725 -0.709 2.082 1.00 0.00 O ATOM 143 CB LYS A 11 6.632 1.025 1.140 1.00 0.00 C ATOM 144 CG LYS A 11 7.476 2.292 1.306 1.00 0.00 C ATOM 145 CD LYS A 11 8.499 2.135 2.418 1.00 0.00 C ATOM 146 CE LYS A 11 9.731 1.389 1.933 1.00 0.00 C ATOM 147 NZ LYS A 11 10.934 2.267 1.897 1.00 0.00 N ATOM 0 H LYS A 11 4.769 2.377 2.636 1.00 0.00 H new ATOM 0 HA LYS A 11 5.004 1.478 -0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.732 0.411 2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.025 0.442 0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.986 2.516 0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.825 3.138 1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.789 3.118 2.790 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.051 1.597 3.254 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.922 0.539 2.588 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.544 0.988 0.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.753 1.721 1.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.762 3.065 1.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.128 2.629 2.852 1.00 0.00 H new ATOM 161 N CYS A 12 3.064 0.095 0.801 1.00 0.00 N ATOM 162 CA CYS A 12 2.136 -0.981 1.131 1.00 0.00 C ATOM 163 C CYS A 12 1.756 -1.782 -0.112 1.00 0.00 C ATOM 164 O CYS A 12 2.232 -1.506 -1.209 1.00 0.00 O ATOM 165 CB CYS A 12 0.876 -0.439 1.814 1.00 0.00 C ATOM 166 SG CYS A 12 1.196 0.757 3.129 1.00 0.00 S ATOM 0 H CYS A 12 2.689 0.795 0.160 1.00 0.00 H new ATOM 0 HA CYS A 12 2.646 -1.646 1.828 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.242 0.028 1.061 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.314 -1.276 2.229 1.00 0.00 H new ATOM 0 HG CYS A 12 0.068 1.154 3.638 1.00 0.00 H new ATOM 172 N SER A 13 0.911 -2.786 0.084 1.00 0.00 N ATOM 173 CA SER A 13 0.456 -3.652 -0.999 1.00 0.00 C ATOM 174 C SER A 13 -1.013 -3.382 -1.311 1.00 0.00 C ATOM 175 O SER A 13 -1.716 -2.755 -0.516 1.00 0.00 O ATOM 176 CB SER A 13 0.649 -5.123 -0.621 1.00 0.00 C ATOM 177 OG SER A 13 0.713 -5.943 -1.776 1.00 0.00 O ATOM 0 H SER A 13 0.522 -3.024 0.996 1.00 0.00 H new ATOM 0 HA SER A 13 1.050 -3.436 -1.887 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.565 -5.235 -0.040 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.174 -5.449 0.015 1.00 0.00 H new ATOM 0 HG SER A 13 0.878 -5.385 -2.565 1.00 0.00 H new ATOM 183 N HIS A 14 -1.474 -3.839 -2.471 1.00 0.00 N ATOM 184 CA HIS A 14 -2.859 -3.618 -2.871 1.00 0.00 C ATOM 185 C HIS A 14 -3.564 -4.921 -3.241 1.00 0.00 C ATOM 186 O HIS A 14 -2.978 -5.815 -3.851 1.00 0.00 O ATOM 187 CB HIS A 14 -2.916 -2.633 -4.042 1.00 0.00 C ATOM 188 CG HIS A 14 -4.261 -2.536 -4.691 1.00 0.00 C ATOM 189 ND1 HIS A 14 -5.433 -2.431 -3.976 1.00 0.00 N ATOM 190 CD2 HIS A 14 -4.618 -2.532 -5.997 1.00 0.00 C ATOM 191 CE1 HIS A 14 -6.453 -2.368 -4.813 1.00 0.00 C ATOM 192 NE2 HIS A 14 -5.985 -2.428 -6.046 1.00 0.00 N ATOM 0 H HIS A 14 -0.914 -4.360 -3.146 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.385 -3.196 -2.015 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.623 -1.645 -3.687 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.183 -2.932 -4.791 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -5.503 -2.406 -2.959 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.950 -2.598 -6.843 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.493 -2.282 -4.536 1.00 0.00 H new ATOM 201 N ILE A 15 -4.836 -5.000 -2.863 1.00 0.00 N ATOM 202 CA ILE A 15 -5.661 -6.166 -3.141 1.00 0.00 C ATOM 203 C ILE A 15 -7.127 -5.750 -3.263 1.00 0.00 C ATOM 204 O ILE A 15 -7.700 -5.182 -2.335 1.00 0.00 O ATOM 205 CB ILE A 15 -5.495 -7.237 -2.040 1.00 0.00 C ATOM 206 CG1 ILE A 15 -4.116 -7.887 -2.157 1.00 0.00 C ATOM 207 CG2 ILE A 15 -6.596 -8.292 -2.116 1.00 0.00 C ATOM 208 CD1 ILE A 15 -3.044 -7.186 -1.352 1.00 0.00 C ATOM 0 H ILE A 15 -5.321 -4.259 -2.357 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.335 -6.602 -4.085 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.580 -6.748 -1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.184 -8.924 -1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.819 -7.902 -3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.448 -9.030 -1.327 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.567 -7.814 -1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.560 -8.787 -3.087 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.093 -7.703 -1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.947 -6.156 -1.694 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.318 -7.194 -0.297 1.00 0.00 H new ATOM 220 N LEU A 16 -7.717 -6.012 -4.426 1.00 0.00 N ATOM 221 CA LEU A 16 -9.107 -5.637 -4.679 1.00 0.00 C ATOM 222 C LEU A 16 -10.011 -6.855 -4.851 1.00 0.00 C ATOM 223 O LEU A 16 -9.668 -7.805 -5.553 1.00 0.00 O ATOM 224 CB LEU A 16 -9.184 -4.763 -5.932 1.00 0.00 C ATOM 225 CG LEU A 16 -9.703 -3.344 -5.706 1.00 0.00 C ATOM 226 CD1 LEU A 16 -9.279 -2.433 -6.846 1.00 0.00 C ATOM 227 CD2 LEU A 16 -11.218 -3.351 -5.561 1.00 0.00 C ATOM 0 H LEU A 16 -7.257 -6.481 -5.206 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.461 -5.083 -3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.190 -4.703 -6.375 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.828 -5.256 -6.660 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.270 -2.960 -4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.658 -1.427 -6.668 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.191 -2.406 -6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.684 -2.812 -7.784 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.573 -2.333 -5.401 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.668 -3.754 -6.468 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.499 -3.972 -4.710 1.00 0.00 H new ATOM 239 N VAL A 17 -11.179 -6.803 -4.218 1.00 0.00 N ATOM 240 CA VAL A 17 -12.154 -7.881 -4.308 1.00 0.00 C ATOM 241 C VAL A 17 -13.569 -7.344 -4.124 1.00 0.00 C ATOM 242 O VAL A 17 -13.826 -6.556 -3.214 1.00 0.00 O ATOM 243 CB VAL A 17 -11.889 -8.965 -3.252 1.00 0.00 C ATOM 244 CG1 VAL A 17 -10.625 -9.743 -3.586 1.00 0.00 C ATOM 245 CG2 VAL A 17 -11.797 -8.344 -1.867 1.00 0.00 C ATOM 0 H VAL A 17 -11.473 -6.020 -3.634 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.056 -8.322 -5.300 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.724 -9.665 -3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.456 -10.506 -2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.738 -10.220 -4.560 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.775 -9.062 -3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.609 -9.125 -1.130 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.982 -7.621 -1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -12.734 -7.840 -1.631 1.00 0.00 H new ATOM 255 N LYS A 18 -14.484 -7.773 -4.986 1.00 0.00 N ATOM 256 CA LYS A 18 -15.871 -7.326 -4.904 1.00 0.00 C ATOM 257 C LYS A 18 -16.571 -7.976 -3.717 1.00 0.00 C ATOM 258 O LYS A 18 -17.401 -7.355 -3.054 1.00 0.00 O ATOM 259 CB LYS A 18 -16.617 -7.645 -6.201 1.00 0.00 C ATOM 260 CG LYS A 18 -16.433 -9.076 -6.679 1.00 0.00 C ATOM 261 CD LYS A 18 -15.376 -9.170 -7.767 1.00 0.00 C ATOM 262 CE LYS A 18 -14.636 -10.496 -7.712 1.00 0.00 C ATOM 263 NZ LYS A 18 -13.760 -10.596 -6.512 1.00 0.00 N ATOM 0 H LYS A 18 -14.293 -8.426 -5.746 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.875 -6.245 -4.761 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -17.680 -7.455 -6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -16.277 -6.965 -6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.147 -9.707 -5.838 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -17.381 -9.459 -7.057 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.846 -9.055 -8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.665 -8.351 -7.657 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.357 -11.314 -7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.033 -10.612 -8.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.185 -11.461 -6.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.134 -9.767 -6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.348 -10.631 -5.655 1.00 0.00 H new ATOM 277 N LYS A 19 -16.204 -9.221 -3.440 1.00 0.00 N ATOM 278 CA LYS A 19 -16.769 -9.951 -2.315 1.00 0.00 C ATOM 279 C LYS A 19 -16.214 -9.372 -1.019 1.00 0.00 C ATOM 280 O LYS A 19 -15.258 -9.893 -0.445 1.00 0.00 O ATOM 281 CB LYS A 19 -16.469 -11.447 -2.425 1.00 0.00 C ATOM 282 CG LYS A 19 -15.019 -11.763 -2.736 1.00 0.00 C ATOM 283 CD LYS A 19 -14.747 -13.258 -2.665 1.00 0.00 C ATOM 284 CE LYS A 19 -13.354 -13.598 -3.172 1.00 0.00 C ATOM 285 NZ LYS A 19 -13.334 -13.789 -4.649 1.00 0.00 N ATOM 0 H LYS A 19 -15.516 -9.746 -3.981 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.853 -9.841 -2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -16.743 -11.932 -1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -17.099 -11.877 -3.203 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.770 -11.394 -3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -14.372 -11.240 -2.031 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.853 -13.599 -1.635 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.491 -13.792 -3.256 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.663 -12.800 -2.899 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.001 -14.506 -2.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.367 -14.019 -4.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.974 -14.567 -4.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.647 -12.914 -5.116 1.00 0.00 H new ATOM 299 N GLN A 20 -16.803 -8.256 -0.599 1.00 0.00 N ATOM 300 CA GLN A 20 -16.367 -7.536 0.593 1.00 0.00 C ATOM 301 C GLN A 20 -16.106 -8.468 1.771 1.00 0.00 C ATOM 302 O GLN A 20 -15.313 -8.138 2.654 1.00 0.00 O ATOM 303 CB GLN A 20 -17.419 -6.496 0.985 1.00 0.00 C ATOM 304 CG GLN A 20 -17.079 -5.720 2.248 1.00 0.00 C ATOM 305 CD GLN A 20 -18.284 -5.028 2.863 1.00 0.00 C ATOM 306 OE1 GLN A 20 -19.219 -4.596 2.024 1.00 0.00 O flip ATOM 307 NE2 GLN A 20 -18.372 -4.885 4.082 1.00 0.00 N flip ATOM 0 H GLN A 20 -17.596 -7.826 -1.075 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.425 -7.045 0.348 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -17.545 -5.793 0.162 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -18.377 -6.997 1.125 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.645 -6.401 2.980 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -16.318 -4.975 2.016 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -17.631 -5.232 4.691 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -19.186 -4.420 4.483 1.00 0.00 H new ATOM 316 N GLY A 21 -16.754 -9.624 1.795 1.00 0.00 N ATOM 317 CA GLY A 21 -16.530 -10.536 2.895 1.00 0.00 C ATOM 318 C GLY A 21 -15.124 -11.096 2.872 1.00 0.00 C ATOM 319 O GLY A 21 -14.528 -11.337 3.922 1.00 0.00 O ATOM 0 H GLY A 21 -17.417 -9.941 1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -16.702 -10.019 3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.249 -11.353 2.844 1.00 0.00 H new ATOM 323 N GLU A 22 -14.574 -11.260 1.674 1.00 0.00 N ATOM 324 CA GLU A 22 -13.214 -11.757 1.534 1.00 0.00 C ATOM 325 C GLU A 22 -12.232 -10.709 2.035 1.00 0.00 C ATOM 326 O GLU A 22 -11.270 -11.017 2.736 1.00 0.00 O ATOM 327 CB GLU A 22 -12.917 -12.115 0.073 1.00 0.00 C ATOM 328 CG GLU A 22 -12.350 -10.985 -0.752 1.00 0.00 C ATOM 329 CD GLU A 22 -10.844 -10.885 -0.625 1.00 0.00 C ATOM 330 OE1 GLU A 22 -10.139 -11.640 -1.327 1.00 0.00 O ATOM 331 OE2 GLU A 22 -10.368 -10.054 0.175 1.00 0.00 O ATOM 0 H GLU A 22 -15.046 -11.057 0.793 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.106 -12.662 2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.215 -12.949 0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.838 -12.462 -0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.616 -11.132 -1.799 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.803 -10.045 -0.438 1.00 0.00 H new ATOM 338 N ALA A 23 -12.504 -9.463 1.668 1.00 0.00 N ATOM 339 CA ALA A 23 -11.673 -8.337 2.073 1.00 0.00 C ATOM 340 C ALA A 23 -11.372 -8.414 3.569 1.00 0.00 C ATOM 341 O ALA A 23 -10.247 -8.172 4.004 1.00 0.00 O ATOM 342 CB ALA A 23 -12.363 -7.021 1.724 1.00 0.00 C ATOM 0 H ALA A 23 -13.301 -9.206 1.086 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.728 -8.382 1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.732 -6.187 2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.530 -6.972 0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.320 -6.963 2.243 1.00 0.00 H new ATOM 348 N LEU A 24 -12.393 -8.775 4.345 1.00 0.00 N ATOM 349 CA LEU A 24 -12.257 -8.912 5.792 1.00 0.00 C ATOM 350 C LEU A 24 -11.477 -10.173 6.153 1.00 0.00 C ATOM 351 O LEU A 24 -10.827 -10.238 7.196 1.00 0.00 O ATOM 352 CB LEU A 24 -13.636 -8.937 6.457 1.00 0.00 C ATOM 353 CG LEU A 24 -13.778 -8.042 7.692 1.00 0.00 C ATOM 354 CD1 LEU A 24 -12.972 -8.604 8.856 1.00 0.00 C ATOM 355 CD2 LEU A 24 -13.344 -6.618 7.372 1.00 0.00 C ATOM 0 H LEU A 24 -13.328 -8.979 3.992 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.701 -8.050 6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.382 -8.636 5.722 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -13.866 -9.963 6.743 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.828 -8.021 7.984 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.085 -7.955 9.724 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.334 -9.603 9.100 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.919 -8.657 8.578 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.452 -5.996 8.261 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.302 -6.618 7.053 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.968 -6.219 6.572 1.00 0.00 H new ATOM 367 N ALA A 25 -11.568 -11.184 5.296 1.00 0.00 N ATOM 368 CA ALA A 25 -10.887 -12.452 5.531 1.00 0.00 C ATOM 369 C ALA A 25 -9.406 -12.376 5.166 1.00 0.00 C ATOM 370 O ALA A 25 -8.544 -12.761 5.954 1.00 0.00 O ATOM 371 CB ALA A 25 -11.567 -13.561 4.742 1.00 0.00 C ATOM 0 H ALA A 25 -12.108 -11.150 4.431 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.952 -12.673 6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.052 -14.505 4.923 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.606 -13.648 5.059 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.530 -13.326 3.678 1.00 0.00 H new ATOM 377 N VAL A 26 -9.117 -11.891 3.961 1.00 0.00 N ATOM 378 CA VAL A 26 -7.741 -11.783 3.490 1.00 0.00 C ATOM 379 C VAL A 26 -6.867 -11.000 4.462 1.00 0.00 C ATOM 380 O VAL A 26 -5.708 -11.337 4.661 1.00 0.00 O ATOM 381 CB VAL A 26 -7.654 -11.123 2.099 1.00 0.00 C ATOM 382 CG1 VAL A 26 -8.578 -11.825 1.114 1.00 0.00 C ATOM 383 CG2 VAL A 26 -7.969 -9.637 2.184 1.00 0.00 C ATOM 0 H VAL A 26 -9.818 -11.567 3.294 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.371 -12.806 3.421 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.632 -11.226 1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.502 -11.345 0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.288 -12.872 1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.606 -11.762 1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.901 -9.193 1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.978 -9.501 2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.254 -9.151 2.848 1.00 0.00 H new ATOM 393 N GLN A 27 -7.415 -9.946 5.061 1.00 0.00 N ATOM 394 CA GLN A 27 -6.644 -9.139 6.001 1.00 0.00 C ATOM 395 C GLN A 27 -6.038 -10.018 7.096 1.00 0.00 C ATOM 396 O GLN A 27 -4.830 -9.988 7.330 1.00 0.00 O ATOM 397 CB GLN A 27 -7.512 -8.027 6.606 1.00 0.00 C ATOM 398 CG GLN A 27 -8.666 -8.531 7.451 1.00 0.00 C ATOM 399 CD GLN A 27 -9.512 -7.407 8.017 1.00 0.00 C ATOM 400 OE1 GLN A 27 -9.886 -6.459 7.167 1.00 0.00 O flip ATOM 401 NE2 GLN A 27 -9.827 -7.392 9.207 1.00 0.00 N flip ATOM 0 H GLN A 27 -8.375 -9.634 4.915 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.827 -8.667 5.455 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.882 -7.382 7.219 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.909 -7.411 5.799 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.295 -9.185 6.847 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.275 -9.134 8.271 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.518 -8.141 9.826 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.397 -6.630 9.574 1.00 0.00 H new ATOM 410 N GLU A 28 -6.882 -10.811 7.751 1.00 0.00 N ATOM 411 CA GLU A 28 -6.432 -11.711 8.806 1.00 0.00 C ATOM 412 C GLU A 28 -5.671 -12.904 8.220 1.00 0.00 C ATOM 413 O GLU A 28 -4.788 -13.470 8.864 1.00 0.00 O ATOM 414 CB GLU A 28 -7.637 -12.183 9.635 1.00 0.00 C ATOM 415 CG GLU A 28 -7.595 -13.654 10.030 1.00 0.00 C ATOM 416 CD GLU A 28 -8.707 -14.031 10.990 1.00 0.00 C ATOM 417 OE1 GLU A 28 -9.716 -13.299 11.048 1.00 0.00 O ATOM 418 OE2 GLU A 28 -8.566 -15.060 11.685 1.00 0.00 O ATOM 0 H GLU A 28 -7.885 -10.847 7.568 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.746 -11.171 9.459 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.699 -11.578 10.540 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.548 -11.999 9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.669 -14.270 9.134 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.632 -13.876 10.490 1.00 0.00 H new ATOM 425 N ARG A 29 -6.043 -13.291 7.002 1.00 0.00 N ATOM 426 CA ARG A 29 -5.424 -14.429 6.326 1.00 0.00 C ATOM 427 C ARG A 29 -4.055 -14.072 5.749 1.00 0.00 C ATOM 428 O ARG A 29 -3.182 -14.929 5.623 1.00 0.00 O ATOM 429 CB ARG A 29 -6.351 -14.922 5.213 1.00 0.00 C ATOM 430 CG ARG A 29 -5.791 -16.082 4.406 1.00 0.00 C ATOM 431 CD ARG A 29 -6.005 -17.412 5.114 1.00 0.00 C ATOM 432 NE ARG A 29 -6.797 -18.337 4.308 1.00 0.00 N ATOM 433 CZ ARG A 29 -6.827 -19.653 4.507 1.00 0.00 C ATOM 434 NH1 ARG A 29 -6.112 -20.201 5.482 1.00 0.00 N ATOM 435 NH2 ARG A 29 -7.576 -20.424 3.729 1.00 0.00 N ATOM 0 H ARG A 29 -6.774 -12.830 6.460 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.271 -15.219 7.061 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.301 -15.225 5.654 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.563 -14.093 4.538 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.269 -16.109 3.427 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.726 -15.927 4.236 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.039 -17.863 5.339 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.506 -17.240 6.066 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.360 -17.953 3.549 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.535 -19.613 6.084 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.139 -21.210 5.629 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.128 -20.008 2.979 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.599 -21.432 3.881 1.00 0.00 H new ATOM 449 N LEU A 30 -3.881 -12.805 5.395 1.00 0.00 N ATOM 450 CA LEU A 30 -2.627 -12.327 4.822 1.00 0.00 C ATOM 451 C LEU A 30 -1.459 -12.605 5.766 1.00 0.00 C ATOM 452 O LEU A 30 -0.502 -13.287 5.399 1.00 0.00 O ATOM 453 CB LEU A 30 -2.734 -10.826 4.519 1.00 0.00 C ATOM 454 CG LEU A 30 -1.674 -10.263 3.565 1.00 0.00 C ATOM 455 CD1 LEU A 30 -0.271 -10.557 4.076 1.00 0.00 C ATOM 456 CD2 LEU A 30 -1.866 -10.826 2.165 1.00 0.00 C ATOM 0 H LEU A 30 -4.597 -12.085 5.495 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.439 -12.863 3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.719 -10.629 4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.676 -10.279 5.460 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.795 -9.181 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.462 -10.147 3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.138 -10.100 5.056 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.132 -11.635 4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.105 -10.416 1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.776 -11.912 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.855 -10.554 1.796 1.00 0.00 H new ATOM 468 N LYS A 31 -1.548 -12.078 6.982 1.00 0.00 N ATOM 469 CA LYS A 31 -0.502 -12.276 7.980 1.00 0.00 C ATOM 470 C LYS A 31 -0.499 -13.708 8.514 1.00 0.00 C ATOM 471 O LYS A 31 0.409 -14.104 9.243 1.00 0.00 O ATOM 472 CB LYS A 31 -0.684 -11.294 9.140 1.00 0.00 C ATOM 473 CG LYS A 31 -1.960 -11.520 9.935 1.00 0.00 C ATOM 474 CD LYS A 31 -2.999 -10.446 9.647 1.00 0.00 C ATOM 475 CE LYS A 31 -3.524 -9.817 10.930 1.00 0.00 C ATOM 476 NZ LYS A 31 -2.476 -9.020 11.626 1.00 0.00 N ATOM 0 H LYS A 31 -2.333 -11.510 7.301 1.00 0.00 H new ATOM 0 HA LYS A 31 0.456 -12.092 7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.171 -11.375 9.811 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.686 -10.277 8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.372 -12.499 9.692 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.729 -11.527 11.000 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.560 -9.674 9.016 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.828 -10.881 9.089 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.374 -9.175 10.698 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.887 -10.600 11.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.219 -9.488 12.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.635 -8.947 11.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.841 -8.067 11.828 1.00 0.00 H new ATOM 490 N ALA A 32 -1.525 -14.480 8.158 1.00 0.00 N ATOM 491 CA ALA A 32 -1.635 -15.858 8.614 1.00 0.00 C ATOM 492 C ALA A 32 -0.434 -16.685 8.176 1.00 0.00 C ATOM 493 O ALA A 32 -0.089 -17.682 8.810 1.00 0.00 O ATOM 494 CB ALA A 32 -2.922 -16.479 8.093 1.00 0.00 C ATOM 0 H ALA A 32 -2.289 -14.172 7.556 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.656 -15.852 9.704 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.995 -17.510 8.440 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.776 -15.911 8.462 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.919 -16.462 7.003 1.00 0.00 H new ATOM 500 N GLY A 33 0.198 -16.269 7.085 1.00 0.00 N ATOM 501 CA GLY A 33 1.346 -16.983 6.579 1.00 0.00 C ATOM 502 C GLY A 33 1.562 -16.766 5.094 1.00 0.00 C ATOM 503 O GLY A 33 2.646 -17.035 4.577 1.00 0.00 O ATOM 0 H GLY A 33 -0.068 -15.447 6.543 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.236 -16.664 7.122 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.220 -18.048 6.772 1.00 0.00 H new ATOM 507 N GLU A 34 0.532 -16.281 4.402 1.00 0.00 N ATOM 508 CA GLU A 34 0.636 -16.036 2.968 1.00 0.00 C ATOM 509 C GLU A 34 1.168 -14.638 2.694 1.00 0.00 C ATOM 510 O GLU A 34 1.076 -13.747 3.538 1.00 0.00 O ATOM 511 CB GLU A 34 -0.715 -16.221 2.282 1.00 0.00 C ATOM 512 CG GLU A 34 -1.786 -15.263 2.780 1.00 0.00 C ATOM 513 CD GLU A 34 -3.139 -15.512 2.139 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.244 -16.441 1.311 1.00 0.00 O ATOM 515 OE2 GLU A 34 -4.092 -14.775 2.467 1.00 0.00 O ATOM 0 H GLU A 34 -0.375 -16.052 4.808 1.00 0.00 H new ATOM 0 HA GLU A 34 1.337 -16.764 2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.589 -16.086 1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.055 -17.245 2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.878 -15.358 3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.475 -14.239 2.576 1.00 0.00 H new ATOM 522 N LYS A 35 1.732 -14.458 1.508 1.00 0.00 N ATOM 523 CA LYS A 35 2.290 -13.171 1.115 1.00 0.00 C ATOM 524 C LYS A 35 1.322 -12.382 0.240 1.00 0.00 C ATOM 525 O LYS A 35 0.599 -12.947 -0.584 1.00 0.00 O ATOM 526 CB LYS A 35 3.615 -13.371 0.376 1.00 0.00 C ATOM 527 CG LYS A 35 4.624 -12.263 0.629 1.00 0.00 C ATOM 528 CD LYS A 35 6.006 -12.643 0.120 1.00 0.00 C ATOM 529 CE LYS A 35 6.138 -12.396 -1.375 1.00 0.00 C ATOM 530 NZ LYS A 35 6.277 -13.668 -2.138 1.00 0.00 N ATOM 0 H LYS A 35 1.816 -15.188 0.800 1.00 0.00 H new ATOM 0 HA LYS A 35 2.466 -12.597 2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.050 -14.324 0.678 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.419 -13.435 -0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.293 -11.348 0.138 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.674 -12.051 1.697 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.762 -12.067 0.653 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.197 -13.695 0.334 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.263 -11.852 -1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.005 -11.763 -1.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.188 -13.675 -2.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.237 -14.473 -1.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.502 -13.746 -2.828 1.00 0.00 H new ATOM 544 N PHE A 36 1.325 -11.066 0.426 1.00 0.00 N ATOM 545 CA PHE A 36 0.464 -10.169 -0.339 1.00 0.00 C ATOM 546 C PHE A 36 0.545 -10.476 -1.831 1.00 0.00 C ATOM 547 O PHE A 36 -0.443 -10.358 -2.555 1.00 0.00 O ATOM 548 CB PHE A 36 0.862 -8.711 -0.088 1.00 0.00 C ATOM 549 CG PHE A 36 2.337 -8.518 0.132 1.00 0.00 C ATOM 550 CD1 PHE A 36 3.228 -8.602 -0.925 1.00 0.00 C ATOM 551 CD2 PHE A 36 2.832 -8.265 1.402 1.00 0.00 C ATOM 552 CE1 PHE A 36 4.585 -8.436 -0.722 1.00 0.00 C ATOM 553 CE2 PHE A 36 4.188 -8.097 1.612 1.00 0.00 C ATOM 554 CZ PHE A 36 5.066 -8.182 0.548 1.00 0.00 C ATOM 0 H PHE A 36 1.920 -10.593 1.106 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.563 -10.324 -0.009 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.548 -8.106 -0.939 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.322 -8.341 0.783 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.858 -8.800 -1.920 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.150 -8.198 2.237 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.269 -8.505 -1.555 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.561 -7.900 2.606 1.00 0.00 H new ATOM 0 HZ PHE A 36 6.126 -8.050 0.709 1.00 0.00 H new ATOM 564 N GLY A 37 1.731 -10.873 -2.282 1.00 0.00 N ATOM 565 CA GLY A 37 1.921 -11.194 -3.682 1.00 0.00 C ATOM 566 C GLY A 37 1.018 -12.320 -4.144 1.00 0.00 C ATOM 567 O GLY A 37 0.564 -12.329 -5.289 1.00 0.00 O ATOM 0 H GLY A 37 2.563 -10.978 -1.701 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.728 -10.307 -4.285 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.961 -11.474 -3.850 1.00 0.00 H new ATOM 571 N LYS A 38 0.756 -13.270 -3.253 1.00 0.00 N ATOM 572 CA LYS A 38 -0.100 -14.404 -3.577 1.00 0.00 C ATOM 573 C LYS A 38 -1.534 -13.947 -3.814 1.00 0.00 C ATOM 574 O LYS A 38 -2.123 -14.241 -4.852 1.00 0.00 O ATOM 575 CB LYS A 38 -0.077 -15.435 -2.446 1.00 0.00 C ATOM 576 CG LYS A 38 1.166 -16.308 -2.441 1.00 0.00 C ATOM 577 CD LYS A 38 2.166 -15.842 -1.396 1.00 0.00 C ATOM 578 CE LYS A 38 3.571 -15.755 -1.961 1.00 0.00 C ATOM 579 NZ LYS A 38 4.195 -17.098 -2.115 1.00 0.00 N ATOM 0 H LYS A 38 1.124 -13.277 -2.302 1.00 0.00 H new ATOM 0 HA LYS A 38 0.283 -14.862 -4.489 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.149 -14.915 -1.491 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.957 -16.072 -2.529 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.885 -17.342 -2.243 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.631 -16.287 -3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.866 -14.866 -1.016 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.156 -16.530 -0.551 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.542 -15.256 -2.929 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.188 -15.142 -1.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.154 -16.993 -2.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.247 -17.565 -1.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.621 -17.676 -2.762 1.00 0.00 H new ATOM 593 N LEU A 39 -2.085 -13.225 -2.842 1.00 0.00 N ATOM 594 CA LEU A 39 -3.455 -12.728 -2.935 1.00 0.00 C ATOM 595 C LEU A 39 -3.664 -11.947 -4.227 1.00 0.00 C ATOM 596 O LEU A 39 -4.741 -11.985 -4.817 1.00 0.00 O ATOM 597 CB LEU A 39 -3.790 -11.823 -1.744 1.00 0.00 C ATOM 598 CG LEU A 39 -3.888 -12.515 -0.374 1.00 0.00 C ATOM 599 CD1 LEU A 39 -4.927 -13.621 -0.408 1.00 0.00 C ATOM 600 CD2 LEU A 39 -2.539 -13.067 0.064 1.00 0.00 C ATOM 0 H LEU A 39 -1.603 -12.971 -1.980 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.117 -13.594 -2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.030 -11.044 -1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.739 -11.327 -1.946 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.198 -11.767 0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.982 -14.099 0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.900 -13.199 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.647 -14.361 -1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.642 -13.550 1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.189 -13.795 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.819 -12.252 0.138 1.00 0.00 H new ATOM 612 N ALA A 40 -2.624 -11.237 -4.661 1.00 0.00 N ATOM 613 CA ALA A 40 -2.699 -10.435 -5.879 1.00 0.00 C ATOM 614 C ALA A 40 -3.224 -11.265 -7.045 1.00 0.00 C ATOM 615 O ALA A 40 -4.205 -10.901 -7.694 1.00 0.00 O ATOM 616 CB ALA A 40 -1.329 -9.863 -6.213 1.00 0.00 C ATOM 0 H ALA A 40 -1.721 -11.201 -4.188 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.394 -9.613 -5.707 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.396 -9.267 -7.123 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.987 -9.234 -5.391 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.621 -10.678 -6.365 1.00 0.00 H new ATOM 622 N LYS A 41 -2.568 -12.384 -7.293 1.00 0.00 N ATOM 623 CA LYS A 41 -2.960 -13.286 -8.362 1.00 0.00 C ATOM 624 C LYS A 41 -4.032 -14.271 -7.895 1.00 0.00 C ATOM 625 O LYS A 41 -4.744 -14.859 -8.711 1.00 0.00 O ATOM 626 CB LYS A 41 -1.742 -14.049 -8.888 1.00 0.00 C ATOM 627 CG LYS A 41 -1.074 -14.930 -7.846 1.00 0.00 C ATOM 628 CD LYS A 41 0.430 -14.992 -8.050 1.00 0.00 C ATOM 629 CE LYS A 41 0.827 -16.175 -8.919 1.00 0.00 C ATOM 630 NZ LYS A 41 1.312 -17.324 -8.105 1.00 0.00 N ATOM 0 H LYS A 41 -1.753 -12.692 -6.763 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.381 -12.684 -9.167 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.049 -14.668 -9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.012 -13.333 -9.267 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.291 -14.545 -6.850 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.491 -15.936 -7.897 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.774 -14.067 -8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.927 -15.067 -7.083 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.028 -16.489 -9.517 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.607 -15.868 -9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.573 -18.110 -8.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.144 -17.032 -7.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.559 -17.634 -7.458 1.00 0.00 H new ATOM 644 N GLU A 42 -4.105 -14.492 -6.581 1.00 0.00 N ATOM 645 CA GLU A 42 -5.048 -15.462 -6.022 1.00 0.00 C ATOM 646 C GLU A 42 -6.509 -14.996 -6.075 1.00 0.00 C ATOM 647 O GLU A 42 -7.306 -15.553 -6.828 1.00 0.00 O ATOM 648 CB GLU A 42 -4.648 -15.784 -4.580 1.00 0.00 C ATOM 649 CG GLU A 42 -4.190 -17.220 -4.383 1.00 0.00 C ATOM 650 CD GLU A 42 -5.266 -18.228 -4.737 1.00 0.00 C ATOM 651 OE1 GLU A 42 -6.332 -18.213 -4.085 1.00 0.00 O ATOM 652 OE2 GLU A 42 -5.043 -19.031 -5.667 1.00 0.00 O ATOM 0 H GLU A 42 -3.527 -14.016 -5.888 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.993 -16.356 -6.643 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.847 -15.111 -4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.496 -15.588 -3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.309 -17.404 -4.997 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.891 -17.363 -3.345 1.00 0.00 H new ATOM 659 N LEU A 43 -6.866 -13.987 -5.282 1.00 0.00 N ATOM 660 CA LEU A 43 -8.246 -13.491 -5.274 1.00 0.00 C ATOM 661 C LEU A 43 -8.337 -12.025 -5.680 1.00 0.00 C ATOM 662 O LEU A 43 -9.425 -11.523 -5.963 1.00 0.00 O ATOM 663 CB LEU A 43 -8.906 -13.693 -3.905 1.00 0.00 C ATOM 664 CG LEU A 43 -8.029 -13.400 -2.686 1.00 0.00 C ATOM 665 CD1 LEU A 43 -7.011 -14.511 -2.487 1.00 0.00 C ATOM 666 CD2 LEU A 43 -7.339 -12.050 -2.826 1.00 0.00 C ATOM 0 H LEU A 43 -6.233 -13.502 -4.646 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.785 -14.079 -6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.790 -13.057 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.251 -14.725 -3.839 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.669 -13.358 -1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.395 -14.288 -1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.530 -15.457 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.377 -14.586 -3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.721 -11.864 -1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.711 -12.053 -3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.090 -11.265 -2.914 1.00 0.00 H new ATOM 678 N SER A 44 -7.205 -11.335 -5.697 1.00 0.00 N ATOM 679 CA SER A 44 -7.191 -9.924 -6.057 1.00 0.00 C ATOM 680 C SER A 44 -7.632 -9.722 -7.505 1.00 0.00 C ATOM 681 O SER A 44 -7.083 -10.331 -8.423 1.00 0.00 O ATOM 682 CB SER A 44 -5.789 -9.360 -5.855 1.00 0.00 C ATOM 683 OG SER A 44 -5.683 -8.673 -4.622 1.00 0.00 O ATOM 0 H SER A 44 -6.291 -11.725 -5.468 1.00 0.00 H new ATOM 0 HA SER A 44 -7.894 -9.396 -5.413 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.061 -10.171 -5.886 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.546 -8.682 -6.673 1.00 0.00 H new ATOM 0 HG SER A 44 -5.184 -9.223 -3.983 1.00 0.00 H new ATOM 689 N ILE A 45 -8.624 -8.856 -7.698 1.00 0.00 N ATOM 690 CA ILE A 45 -9.141 -8.562 -9.034 1.00 0.00 C ATOM 691 C ILE A 45 -8.488 -7.309 -9.609 1.00 0.00 C ATOM 692 O ILE A 45 -8.771 -6.912 -10.740 1.00 0.00 O ATOM 693 CB ILE A 45 -10.669 -8.368 -9.022 1.00 0.00 C ATOM 694 CG1 ILE A 45 -11.081 -7.441 -7.879 1.00 0.00 C ATOM 695 CG2 ILE A 45 -11.373 -9.711 -8.902 1.00 0.00 C ATOM 696 CD1 ILE A 45 -12.117 -6.412 -8.272 1.00 0.00 C ATOM 0 H ILE A 45 -9.087 -8.345 -6.946 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.899 -9.421 -9.660 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.967 -7.906 -9.963 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.473 -8.043 -7.059 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.196 -6.927 -7.503 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.452 -9.557 -8.895 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.102 -10.341 -9.749 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.070 -10.199 -7.976 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.359 -5.791 -7.409 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.722 -5.785 -9.071 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.018 -6.917 -8.620 1.00 0.00 H new ATOM 708 N ASP A 46 -7.603 -6.698 -8.826 1.00 0.00 N ATOM 709 CA ASP A 46 -6.890 -5.497 -9.242 1.00 0.00 C ATOM 710 C ASP A 46 -6.339 -5.650 -10.658 1.00 0.00 C ATOM 711 O ASP A 46 -5.793 -6.692 -11.014 1.00 0.00 O ATOM 712 CB ASP A 46 -5.759 -5.185 -8.263 1.00 0.00 C ATOM 713 CG ASP A 46 -4.700 -6.268 -8.242 1.00 0.00 C ATOM 714 OD1 ASP A 46 -5.066 -7.454 -8.367 1.00 0.00 O ATOM 715 OD2 ASP A 46 -3.506 -5.929 -8.098 1.00 0.00 O ATOM 0 H ASP A 46 -7.362 -7.021 -7.889 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.596 -4.666 -9.241 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.298 -4.235 -8.535 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.172 -5.064 -7.261 1.00 0.00 H new ATOM 720 N GLY A 47 -6.502 -4.610 -11.464 1.00 0.00 N ATOM 721 CA GLY A 47 -6.030 -4.650 -12.834 1.00 0.00 C ATOM 722 C GLY A 47 -4.527 -4.835 -12.920 1.00 0.00 C ATOM 723 O GLY A 47 -3.869 -4.997 -11.895 1.00 0.00 O ATOM 0 H GLY A 47 -6.954 -3.737 -11.193 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.525 -5.465 -13.363 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.310 -3.726 -13.339 1.00 0.00 H new ATOM 727 N GLY A 48 -4.009 -4.842 -14.153 1.00 0.00 N ATOM 728 CA GLY A 48 -2.579 -5.037 -14.421 1.00 0.00 C ATOM 729 C GLY A 48 -1.665 -4.961 -13.202 1.00 0.00 C ATOM 730 O GLY A 48 -0.748 -5.770 -13.068 1.00 0.00 O ATOM 0 H GLY A 48 -4.570 -4.712 -14.995 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.445 -6.010 -14.893 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.257 -4.286 -15.142 1.00 0.00 H new ATOM 734 N SER A 49 -1.903 -4.001 -12.316 1.00 0.00 N ATOM 735 CA SER A 49 -1.082 -3.849 -11.117 1.00 0.00 C ATOM 736 C SER A 49 -0.953 -5.171 -10.348 1.00 0.00 C ATOM 737 O SER A 49 -0.030 -5.343 -9.552 1.00 0.00 O ATOM 738 CB SER A 49 -1.672 -2.773 -10.205 1.00 0.00 C ATOM 739 OG SER A 49 -1.009 -1.533 -10.384 1.00 0.00 O ATOM 0 H SER A 49 -2.655 -3.317 -12.403 1.00 0.00 H new ATOM 0 HA SER A 49 -0.085 -3.547 -11.437 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.735 -2.655 -10.417 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.588 -3.087 -9.165 1.00 0.00 H new ATOM 0 HG SER A 49 -1.406 -0.861 -9.791 1.00 0.00 H new ATOM 745 N ALA A 50 -1.870 -6.105 -10.592 1.00 0.00 N ATOM 746 CA ALA A 50 -1.831 -7.403 -9.924 1.00 0.00 C ATOM 747 C ALA A 50 -0.672 -8.246 -10.440 1.00 0.00 C ATOM 748 O ALA A 50 -0.224 -9.180 -9.772 1.00 0.00 O ATOM 749 CB ALA A 50 -3.147 -8.145 -10.110 1.00 0.00 C ATOM 0 H ALA A 50 -2.645 -5.988 -11.244 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.680 -7.227 -8.859 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.096 -9.109 -9.604 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.960 -7.556 -9.686 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.329 -8.302 -11.173 1.00 0.00 H new ATOM 755 N LYS A 51 -0.181 -7.907 -11.629 1.00 0.00 N ATOM 756 CA LYS A 51 0.933 -8.622 -12.231 1.00 0.00 C ATOM 757 C LYS A 51 2.229 -8.283 -11.505 1.00 0.00 C ATOM 758 O LYS A 51 3.261 -8.921 -11.713 1.00 0.00 O ATOM 759 CB LYS A 51 1.045 -8.265 -13.713 1.00 0.00 C ATOM 760 CG LYS A 51 0.665 -9.406 -14.640 1.00 0.00 C ATOM 761 CD LYS A 51 -0.133 -8.910 -15.834 1.00 0.00 C ATOM 762 CE LYS A 51 -1.211 -9.904 -16.237 1.00 0.00 C ATOM 763 NZ LYS A 51 -1.961 -9.452 -17.441 1.00 0.00 N ATOM 0 H LYS A 51 -0.541 -7.138 -12.194 1.00 0.00 H new ATOM 0 HA LYS A 51 0.755 -9.694 -12.142 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.404 -7.408 -13.922 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.068 -7.957 -13.928 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.567 -9.910 -14.988 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.080 -10.143 -14.091 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.593 -7.952 -15.593 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.538 -8.739 -16.676 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.755 -10.874 -16.436 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.905 -10.043 -15.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.686 -10.157 -17.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.418 -8.539 -17.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.303 -9.344 -18.239 1.00 0.00 H new ATOM 777 N ARG A 52 2.155 -7.271 -10.647 1.00 0.00 N ATOM 778 CA ARG A 52 3.299 -6.827 -9.872 1.00 0.00 C ATOM 779 C ARG A 52 3.175 -7.303 -8.426 1.00 0.00 C ATOM 780 O ARG A 52 3.727 -6.692 -7.515 1.00 0.00 O ATOM 781 CB ARG A 52 3.421 -5.299 -9.923 1.00 0.00 C ATOM 782 CG ARG A 52 2.583 -4.636 -11.007 1.00 0.00 C ATOM 783 CD ARG A 52 3.231 -3.355 -11.508 1.00 0.00 C ATOM 784 NE ARG A 52 3.859 -3.534 -12.816 1.00 0.00 N ATOM 785 CZ ARG A 52 3.191 -3.528 -13.966 1.00 0.00 C ATOM 786 NH1 ARG A 52 1.876 -3.351 -13.978 1.00 0.00 N ATOM 787 NH2 ARG A 52 3.840 -3.698 -15.110 1.00 0.00 N ATOM 0 H ARG A 52 1.302 -6.740 -10.472 1.00 0.00 H new ATOM 0 HA ARG A 52 4.201 -7.259 -10.305 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.129 -4.891 -8.955 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.467 -5.035 -10.078 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.450 -5.327 -11.839 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.590 -4.414 -10.616 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.479 -2.569 -11.572 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.980 -3.022 -10.789 1.00 0.00 H new ATOM 0 HE ARG A 52 4.869 -3.672 -12.849 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.371 -3.218 -13.102 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.370 -3.347 -14.864 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.851 -3.833 -15.108 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.328 -3.694 -15.992 1.00 0.00 H new ATOM 801 N ASP A 53 2.422 -8.389 -8.236 1.00 0.00 N ATOM 802 CA ASP A 53 2.189 -8.966 -6.912 1.00 0.00 C ATOM 803 C ASP A 53 1.522 -7.955 -5.983 1.00 0.00 C ATOM 804 O ASP A 53 1.691 -8.006 -4.765 1.00 0.00 O ATOM 805 CB ASP A 53 3.500 -9.502 -6.307 1.00 0.00 C ATOM 806 CG ASP A 53 4.385 -8.422 -5.711 1.00 0.00 C ATOM 807 OD1 ASP A 53 4.086 -7.951 -4.595 1.00 0.00 O ATOM 808 OD2 ASP A 53 5.389 -8.055 -6.360 1.00 0.00 O ATOM 0 H ASP A 53 1.959 -8.891 -8.993 1.00 0.00 H new ATOM 0 HA ASP A 53 1.507 -9.809 -7.027 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.261 -10.231 -5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.057 -10.030 -7.081 1.00 0.00 H new ATOM 813 N GLY A 54 0.752 -7.042 -6.570 1.00 0.00 N ATOM 814 CA GLY A 54 0.061 -6.034 -5.789 1.00 0.00 C ATOM 815 C GLY A 54 0.998 -5.223 -4.919 1.00 0.00 C ATOM 816 O GLY A 54 0.570 -4.599 -3.947 1.00 0.00 O ATOM 0 H GLY A 54 0.595 -6.984 -7.576 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.475 -5.364 -6.461 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.686 -6.517 -5.159 1.00 0.00 H new ATOM 820 N SER A 55 2.280 -5.225 -5.267 1.00 0.00 N ATOM 821 CA SER A 55 3.273 -4.477 -4.511 1.00 0.00 C ATOM 822 C SER A 55 3.203 -3.000 -4.864 1.00 0.00 C ATOM 823 O SER A 55 3.839 -2.545 -5.816 1.00 0.00 O ATOM 824 CB SER A 55 4.676 -5.019 -4.786 1.00 0.00 C ATOM 825 OG SER A 55 5.114 -5.860 -3.732 1.00 0.00 O ATOM 0 H SER A 55 2.654 -5.736 -6.067 1.00 0.00 H new ATOM 0 HA SER A 55 3.057 -4.594 -3.449 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.677 -5.575 -5.723 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.373 -4.189 -4.907 1.00 0.00 H new ATOM 0 HG SER A 55 5.056 -6.796 -4.015 1.00 0.00 H new ATOM 831 N LEU A 56 2.425 -2.253 -4.091 1.00 0.00 N ATOM 832 CA LEU A 56 2.270 -0.827 -4.317 1.00 0.00 C ATOM 833 C LEU A 56 3.580 -0.091 -4.050 1.00 0.00 C ATOM 834 O LEU A 56 3.731 1.073 -4.420 1.00 0.00 O ATOM 835 CB LEU A 56 1.153 -0.274 -3.423 1.00 0.00 C ATOM 836 CG LEU A 56 -0.276 -0.544 -3.907 1.00 0.00 C ATOM 837 CD1 LEU A 56 -1.262 0.323 -3.143 1.00 0.00 C ATOM 838 CD2 LEU A 56 -0.403 -0.306 -5.405 1.00 0.00 C ATOM 0 H LEU A 56 1.891 -2.615 -3.301 1.00 0.00 H new ATOM 0 HA LEU A 56 1.999 -0.668 -5.361 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.266 -0.699 -2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.288 0.803 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.508 -1.592 -3.715 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.273 0.122 -3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.197 0.096 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.024 1.374 -3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.427 -0.505 -5.720 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.149 0.729 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.276 -0.971 -5.938 1.00 0.00 H new ATOM 850 N GLY A 57 4.526 -0.772 -3.402 1.00 0.00 N ATOM 851 CA GLY A 57 5.807 -0.160 -3.094 1.00 0.00 C ATOM 852 C GLY A 57 5.656 1.234 -2.546 1.00 0.00 C ATOM 853 O GLY A 57 4.565 1.633 -2.143 1.00 0.00 O ATOM 0 H GLY A 57 4.426 -1.737 -3.086 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.338 -0.778 -2.369 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.419 -0.130 -3.995 1.00 0.00 H new ATOM 857 N TYR A 58 6.747 1.980 -2.534 1.00 0.00 N ATOM 858 CA TYR A 58 6.710 3.332 -2.023 1.00 0.00 C ATOM 859 C TYR A 58 5.949 4.267 -2.949 1.00 0.00 C ATOM 860 O TYR A 58 6.417 4.610 -4.035 1.00 0.00 O ATOM 861 CB TYR A 58 8.111 3.883 -1.810 1.00 0.00 C ATOM 862 CG TYR A 58 9.039 3.702 -2.989 1.00 0.00 C ATOM 863 CD1 TYR A 58 9.817 2.558 -3.122 1.00 0.00 C ATOM 864 CD2 TYR A 58 9.140 4.682 -3.968 1.00 0.00 C ATOM 865 CE1 TYR A 58 10.667 2.396 -4.200 1.00 0.00 C ATOM 866 CE2 TYR A 58 9.987 4.527 -5.049 1.00 0.00 C ATOM 867 CZ TYR A 58 10.748 3.382 -5.160 1.00 0.00 C ATOM 868 OH TYR A 58 11.593 3.224 -6.234 1.00 0.00 O ATOM 0 H TYR A 58 7.660 1.673 -2.870 1.00 0.00 H new ATOM 0 HA TYR A 58 6.191 3.283 -1.066 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.039 4.946 -1.580 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.551 3.397 -0.939 1.00 0.00 H new ATOM 0 HD1 TYR A 58 9.757 1.784 -2.372 1.00 0.00 H new ATOM 0 HD2 TYR A 58 8.547 5.580 -3.883 1.00 0.00 H new ATOM 0 HE1 TYR A 58 11.265 1.501 -4.290 1.00 0.00 H new ATOM 0 HE2 TYR A 58 10.053 5.298 -5.802 1.00 0.00 H new ATOM 0 HH TYR A 58 11.530 4.009 -6.818 1.00 0.00 H new ATOM 878 N PHE A 59 4.800 4.714 -2.479 1.00 0.00 N ATOM 879 CA PHE A 59 3.982 5.656 -3.214 1.00 0.00 C ATOM 880 C PHE A 59 3.554 6.757 -2.268 1.00 0.00 C ATOM 881 O PHE A 59 3.390 6.530 -1.070 1.00 0.00 O ATOM 882 CB PHE A 59 2.747 5.002 -3.826 1.00 0.00 C ATOM 883 CG PHE A 59 3.029 4.107 -5.007 1.00 0.00 C ATOM 884 CD1 PHE A 59 4.166 4.280 -5.783 1.00 0.00 C ATOM 885 CD2 PHE A 59 2.144 3.095 -5.345 1.00 0.00 C ATOM 886 CE1 PHE A 59 4.413 3.461 -6.869 1.00 0.00 C ATOM 887 CE2 PHE A 59 2.385 2.274 -6.430 1.00 0.00 C ATOM 888 CZ PHE A 59 3.523 2.457 -7.193 1.00 0.00 C ATOM 0 H PHE A 59 4.409 4.434 -1.579 1.00 0.00 H new ATOM 0 HA PHE A 59 4.576 6.052 -4.038 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.243 4.418 -3.056 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.055 5.784 -4.137 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.867 5.064 -5.536 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.254 2.946 -4.752 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.302 3.607 -7.464 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.685 1.491 -6.681 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.715 1.816 -8.041 1.00 0.00 H new ATOM 898 N GLY A 60 3.394 7.943 -2.805 1.00 0.00 N ATOM 899 CA GLY A 60 3.012 9.072 -1.989 1.00 0.00 C ATOM 900 C GLY A 60 1.582 9.511 -2.232 1.00 0.00 C ATOM 901 O GLY A 60 0.841 8.856 -2.965 1.00 0.00 O ATOM 0 H GLY A 60 3.521 8.151 -3.795 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.135 8.813 -0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.684 9.906 -2.192 1.00 0.00 H new ATOM 905 N ARG A 61 1.190 10.619 -1.615 1.00 0.00 N ATOM 906 CA ARG A 61 -0.153 11.143 -1.762 1.00 0.00 C ATOM 907 C ARG A 61 -0.243 12.001 -3.009 1.00 0.00 C ATOM 908 O ARG A 61 0.501 12.970 -3.162 1.00 0.00 O ATOM 909 CB ARG A 61 -0.538 11.968 -0.534 1.00 0.00 C ATOM 910 CG ARG A 61 -0.260 11.263 0.783 1.00 0.00 C ATOM 911 CD ARG A 61 -0.078 12.253 1.922 1.00 0.00 C ATOM 912 NE ARG A 61 1.252 12.861 1.917 1.00 0.00 N ATOM 913 CZ ARG A 61 1.535 14.038 1.359 1.00 0.00 C ATOM 914 NH1 ARG A 61 0.589 14.738 0.743 1.00 0.00 N ATOM 915 NH2 ARG A 61 2.772 14.513 1.413 1.00 0.00 N ATOM 0 H ARG A 61 1.792 11.172 -1.005 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.845 10.306 -1.855 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.008 12.911 -0.554 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.599 12.213 -0.589 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.084 10.588 1.016 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.637 10.651 0.686 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.834 13.035 1.846 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.240 11.745 2.873 1.00 0.00 H new ATOM 0 HE ARG A 61 2.011 12.352 2.369 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.363 14.376 0.694 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.815 15.638 0.319 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.504 13.978 1.881 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.992 15.413 0.987 1.00 0.00 H new ATOM 929 N GLY A 62 -1.153 11.643 -3.898 1.00 0.00 N ATOM 930 CA GLY A 62 -1.312 12.400 -5.114 1.00 0.00 C ATOM 931 C GLY A 62 -1.734 11.547 -6.296 1.00 0.00 C ATOM 932 O GLY A 62 -2.254 12.063 -7.285 1.00 0.00 O ATOM 0 H GLY A 62 -1.781 10.845 -3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.055 13.181 -4.954 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.372 12.898 -5.350 1.00 0.00 H new ATOM 936 N LYS A 63 -1.502 10.238 -6.204 1.00 0.00 N ATOM 937 CA LYS A 63 -1.857 9.324 -7.286 1.00 0.00 C ATOM 938 C LYS A 63 -2.845 8.252 -6.824 1.00 0.00 C ATOM 939 O LYS A 63 -3.557 7.668 -7.641 1.00 0.00 O ATOM 940 CB LYS A 63 -0.598 8.661 -7.849 1.00 0.00 C ATOM 941 CG LYS A 63 -0.687 8.351 -9.335 1.00 0.00 C ATOM 942 CD LYS A 63 -0.429 9.591 -10.177 1.00 0.00 C ATOM 943 CE LYS A 63 0.307 9.247 -11.462 1.00 0.00 C ATOM 944 NZ LYS A 63 1.738 8.919 -11.213 1.00 0.00 N ATOM 0 H LYS A 63 -1.072 9.790 -5.395 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.342 9.911 -8.066 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.256 9.314 -7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.410 7.736 -7.304 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.038 7.578 -9.591 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.674 7.951 -9.566 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.377 10.073 -10.417 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.157 10.308 -9.601 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.181 8.400 -11.944 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.242 10.087 -12.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.257 8.923 -12.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.150 9.627 -10.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.808 7.977 -10.778 1.00 0.00 H new ATOM 958 N MET A 64 -2.884 7.990 -5.521 1.00 0.00 N ATOM 959 CA MET A 64 -3.786 6.979 -4.974 1.00 0.00 C ATOM 960 C MET A 64 -5.123 7.596 -4.574 1.00 0.00 C ATOM 961 O MET A 64 -5.235 8.811 -4.412 1.00 0.00 O ATOM 962 CB MET A 64 -3.150 6.288 -3.767 1.00 0.00 C ATOM 963 CG MET A 64 -1.657 6.036 -3.919 1.00 0.00 C ATOM 964 SD MET A 64 -0.867 5.590 -2.361 1.00 0.00 S ATOM 965 CE MET A 64 -0.993 3.805 -2.416 1.00 0.00 C ATOM 0 H MET A 64 -2.305 8.461 -4.826 1.00 0.00 H new ATOM 0 HA MET A 64 -3.967 6.238 -5.753 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.317 6.900 -2.880 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.654 5.337 -3.598 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.499 5.237 -4.644 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.180 6.930 -4.321 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.171 3.422 -1.411 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.820 3.518 -3.066 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.065 3.387 -2.805 1.00 0.00 H new ATOM 975 N VAL A 65 -6.135 6.747 -4.413 1.00 0.00 N ATOM 976 CA VAL A 65 -7.464 7.207 -4.029 1.00 0.00 C ATOM 977 C VAL A 65 -7.459 7.764 -2.604 1.00 0.00 C ATOM 978 O VAL A 65 -6.614 7.401 -1.790 1.00 0.00 O ATOM 979 CB VAL A 65 -8.509 6.076 -4.146 1.00 0.00 C ATOM 980 CG1 VAL A 65 -8.529 5.518 -5.562 1.00 0.00 C ATOM 981 CG2 VAL A 65 -8.225 4.972 -3.140 1.00 0.00 C ATOM 0 H VAL A 65 -6.059 5.738 -4.543 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.742 8.004 -4.719 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.491 6.492 -3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.270 4.722 -5.629 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.786 6.313 -6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.545 5.120 -5.810 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.974 4.186 -3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.235 4.556 -3.326 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.262 5.381 -2.130 1.00 0.00 H new ATOM 991 N LYS A 66 -8.399 8.659 -2.320 1.00 0.00 N ATOM 992 CA LYS A 66 -8.496 9.288 -1.005 1.00 0.00 C ATOM 993 C LYS A 66 -8.722 8.278 0.124 1.00 0.00 C ATOM 994 O LYS A 66 -8.060 8.352 1.160 1.00 0.00 O ATOM 995 CB LYS A 66 -9.621 10.324 -1.003 1.00 0.00 C ATOM 996 CG LYS A 66 -9.296 11.575 -0.202 1.00 0.00 C ATOM 997 CD LYS A 66 -10.450 12.562 -0.216 1.00 0.00 C ATOM 998 CE LYS A 66 -10.403 13.494 0.983 1.00 0.00 C ATOM 999 NZ LYS A 66 -11.247 14.704 0.782 1.00 0.00 N ATOM 0 H LYS A 66 -9.108 8.967 -2.985 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.538 9.772 -0.815 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.843 10.609 -2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.523 9.867 -0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.065 11.299 0.827 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.405 12.050 -0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.417 13.148 -1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.395 12.018 -0.218 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.741 12.960 1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.372 13.797 1.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.187 15.313 1.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.909 15.228 -0.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.235 14.417 0.633 1.00 0.00 H new ATOM 1013 N PRO A 67 -9.665 7.331 -0.037 1.00 0.00 N ATOM 1014 CA PRO A 67 -9.952 6.340 1.004 1.00 0.00 C ATOM 1015 C PRO A 67 -8.775 5.408 1.248 1.00 0.00 C ATOM 1016 O PRO A 67 -8.442 5.090 2.388 1.00 0.00 O ATOM 1017 CB PRO A 67 -11.148 5.555 0.456 1.00 0.00 C ATOM 1018 CG PRO A 67 -11.178 5.825 -1.008 1.00 0.00 C ATOM 1019 CD PRO A 67 -10.517 7.158 -1.224 1.00 0.00 C ATOM 0 HA PRO A 67 -10.152 6.815 1.964 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.039 4.489 0.654 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.076 5.874 0.931 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.654 5.042 -1.555 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.204 5.839 -1.376 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -9.929 7.168 -2.142 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.252 7.959 -1.308 1.00 0.00 H new ATOM 1027 N PHE A 68 -8.152 4.979 0.163 1.00 0.00 N ATOM 1028 CA PHE A 68 -7.002 4.081 0.242 1.00 0.00 C ATOM 1029 C PHE A 68 -5.759 4.838 0.697 1.00 0.00 C ATOM 1030 O PHE A 68 -5.063 4.412 1.619 1.00 0.00 O ATOM 1031 CB PHE A 68 -6.744 3.423 -1.116 1.00 0.00 C ATOM 1032 CG PHE A 68 -5.873 2.202 -1.048 1.00 0.00 C ATOM 1033 CD1 PHE A 68 -4.492 2.319 -1.053 1.00 0.00 C ATOM 1034 CD2 PHE A 68 -6.434 0.936 -0.992 1.00 0.00 C ATOM 1035 CE1 PHE A 68 -3.687 1.198 -0.999 1.00 0.00 C ATOM 1036 CE2 PHE A 68 -5.634 -0.190 -0.937 1.00 0.00 C ATOM 1037 CZ PHE A 68 -4.258 -0.059 -0.941 1.00 0.00 C ATOM 0 H PHE A 68 -8.421 5.236 -0.787 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.226 3.305 0.974 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.700 3.150 -1.563 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.278 4.152 -1.779 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.040 3.299 -1.100 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.509 0.828 -0.991 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.612 1.304 -1.002 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.084 -1.171 -0.891 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.631 -0.937 -0.899 1.00 0.00 H new ATOM 1047 N GLU A 69 -5.489 5.966 0.046 1.00 0.00 N ATOM 1048 CA GLU A 69 -4.331 6.785 0.382 1.00 0.00 C ATOM 1049 C GLU A 69 -4.378 7.218 1.843 1.00 0.00 C ATOM 1050 O GLU A 69 -3.342 7.389 2.485 1.00 0.00 O ATOM 1051 CB GLU A 69 -4.279 8.016 -0.522 1.00 0.00 C ATOM 1052 CG GLU A 69 -2.950 8.751 -0.479 1.00 0.00 C ATOM 1053 CD GLU A 69 -3.120 10.256 -0.468 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -3.286 10.826 0.631 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -3.089 10.865 -1.557 1.00 0.00 O ATOM 0 H GLU A 69 -6.057 6.333 -0.717 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.433 6.186 0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.482 7.711 -1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.073 8.703 -0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.397 8.444 0.409 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.351 8.463 -1.343 1.00 0.00 H new ATOM 1062 N ASP A 70 -5.588 7.394 2.357 1.00 0.00 N ATOM 1063 CA ASP A 70 -5.776 7.809 3.741 1.00 0.00 C ATOM 1064 C ASP A 70 -5.324 6.721 4.709 1.00 0.00 C ATOM 1065 O ASP A 70 -4.586 6.988 5.658 1.00 0.00 O ATOM 1066 CB ASP A 70 -7.245 8.153 3.995 1.00 0.00 C ATOM 1067 CG ASP A 70 -7.480 8.687 5.395 1.00 0.00 C ATOM 1068 OD1 ASP A 70 -6.718 9.578 5.826 1.00 0.00 O ATOM 1069 OD2 ASP A 70 -8.426 8.215 6.060 1.00 0.00 O ATOM 0 H ASP A 70 -6.454 7.256 1.836 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.164 8.695 3.912 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.573 8.894 3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.856 7.263 3.841 1.00 0.00 H new ATOM 1074 N ALA A 71 -5.773 5.494 4.467 1.00 0.00 N ATOM 1075 CA ALA A 71 -5.421 4.365 5.322 1.00 0.00 C ATOM 1076 C ALA A 71 -3.986 3.896 5.086 1.00 0.00 C ATOM 1077 O ALA A 71 -3.466 3.069 5.837 1.00 0.00 O ATOM 1078 CB ALA A 71 -6.395 3.218 5.103 1.00 0.00 C ATOM 0 H ALA A 71 -6.382 5.255 3.685 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.488 4.701 6.357 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.122 2.381 5.746 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.405 3.547 5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.356 2.902 4.061 1.00 0.00 H new ATOM 1084 N ALA A 72 -3.350 4.418 4.042 1.00 0.00 N ATOM 1085 CA ALA A 72 -1.979 4.037 3.715 1.00 0.00 C ATOM 1086 C ALA A 72 -1.008 4.432 4.824 1.00 0.00 C ATOM 1087 O ALA A 72 -0.136 3.650 5.205 1.00 0.00 O ATOM 1088 CB ALA A 72 -1.559 4.673 2.399 1.00 0.00 C ATOM 0 H ALA A 72 -3.760 5.104 3.409 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.948 2.952 3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.535 4.382 2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.223 4.335 1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.618 5.758 2.484 1.00 0.00 H new ATOM 1094 N PHE A 73 -1.157 5.650 5.329 1.00 0.00 N ATOM 1095 CA PHE A 73 -0.283 6.152 6.387 1.00 0.00 C ATOM 1096 C PHE A 73 -0.837 5.847 7.777 1.00 0.00 C ATOM 1097 O PHE A 73 -0.414 6.450 8.764 1.00 0.00 O ATOM 1098 CB PHE A 73 -0.073 7.660 6.229 1.00 0.00 C ATOM 1099 CG PHE A 73 -1.341 8.425 5.981 1.00 0.00 C ATOM 1100 CD1 PHE A 73 -2.157 8.801 7.037 1.00 0.00 C ATOM 1101 CD2 PHE A 73 -1.716 8.770 4.693 1.00 0.00 C ATOM 1102 CE1 PHE A 73 -3.323 9.507 6.811 1.00 0.00 C ATOM 1103 CE2 PHE A 73 -2.880 9.476 4.460 1.00 0.00 C ATOM 1104 CZ PHE A 73 -3.686 9.844 5.521 1.00 0.00 C ATOM 0 H PHE A 73 -1.873 6.309 5.025 1.00 0.00 H new ATOM 0 HA PHE A 73 0.674 5.639 6.291 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.404 8.047 7.129 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.615 7.837 5.402 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.878 8.539 8.047 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -1.090 8.483 3.861 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.950 9.795 7.642 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.160 9.740 3.451 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.598 10.394 5.342 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.784 4.915 7.859 1.00 0.00 N ATOM 1115 CA ARG A 74 -2.378 4.551 9.139 1.00 0.00 C ATOM 1116 C ARG A 74 -1.757 3.271 9.681 1.00 0.00 C ATOM 1117 O ARG A 74 -1.671 3.077 10.893 1.00 0.00 O ATOM 1118 CB ARG A 74 -3.890 4.369 8.995 1.00 0.00 C ATOM 1119 CG ARG A 74 -4.602 5.586 8.429 1.00 0.00 C ATOM 1120 CD ARG A 74 -4.633 6.732 9.425 1.00 0.00 C ATOM 1121 NE ARG A 74 -5.980 6.975 9.935 1.00 0.00 N ATOM 1122 CZ ARG A 74 -6.240 7.656 11.050 1.00 0.00 C ATOM 1123 NH1 ARG A 74 -5.250 8.160 11.775 1.00 0.00 N ATOM 1124 NH2 ARG A 74 -7.496 7.831 11.440 1.00 0.00 N ATOM 0 H ARG A 74 -2.153 4.402 7.058 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.181 5.360 9.842 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.084 3.513 8.349 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.313 4.133 9.972 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.100 5.910 7.517 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.621 5.316 8.153 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.965 6.508 10.257 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.257 7.637 8.949 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.768 6.601 9.406 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.283 8.027 11.480 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.456 8.680 12.628 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.260 7.444 10.886 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.697 8.352 12.293 1.00 0.00 H new ATOM 1138 N LEU A 75 -1.333 2.394 8.778 1.00 0.00 N ATOM 1139 CA LEU A 75 -0.731 1.128 9.171 1.00 0.00 C ATOM 1140 C LEU A 75 0.783 1.153 9.009 1.00 0.00 C ATOM 1141 O LEU A 75 1.340 0.450 8.166 1.00 0.00 O ATOM 1142 CB LEU A 75 -1.321 -0.019 8.355 1.00 0.00 C ATOM 1143 CG LEU A 75 -2.787 -0.354 8.639 1.00 0.00 C ATOM 1144 CD1 LEU A 75 -3.012 -1.838 8.459 1.00 0.00 C ATOM 1145 CD2 LEU A 75 -3.197 0.072 10.044 1.00 0.00 C ATOM 0 H LEU A 75 -1.395 2.537 7.770 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.956 0.972 10.226 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.222 0.224 7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.723 -0.912 8.534 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.405 0.199 7.932 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.056 -2.075 8.662 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.768 -2.122 7.435 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.374 -2.389 9.150 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.244 -0.182 10.210 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.578 -0.446 10.776 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.063 1.148 10.151 1.00 0.00 H new ATOM 1157 N GLN A 76 1.441 1.947 9.837 1.00 0.00 N ATOM 1158 CA GLN A 76 2.893 2.043 9.806 1.00 0.00 C ATOM 1159 C GLN A 76 3.511 0.827 10.492 1.00 0.00 C ATOM 1160 O GLN A 76 4.693 0.531 10.318 1.00 0.00 O ATOM 1161 CB GLN A 76 3.354 3.328 10.489 1.00 0.00 C ATOM 1162 CG GLN A 76 3.351 4.537 9.567 1.00 0.00 C ATOM 1163 CD GLN A 76 4.500 5.486 9.847 1.00 0.00 C ATOM 1164 OE1 GLN A 76 5.561 5.074 10.316 1.00 0.00 O ATOM 1165 NE2 GLN A 76 4.294 6.765 9.560 1.00 0.00 N ATOM 0 H GLN A 76 0.994 2.535 10.540 1.00 0.00 H new ATOM 0 HA GLN A 76 3.222 2.066 8.767 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.706 3.530 11.342 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.361 3.182 10.881 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.407 4.200 8.532 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.408 5.072 9.678 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.399 7.063 9.172 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.031 7.450 9.727 1.00 0.00 H new ATOM 1174 N VAL A 77 2.690 0.124 11.268 1.00 0.00 N ATOM 1175 CA VAL A 77 3.127 -1.071 11.983 1.00 0.00 C ATOM 1176 C VAL A 77 3.429 -2.205 11.009 1.00 0.00 C ATOM 1177 O VAL A 77 4.228 -3.094 11.304 1.00 0.00 O ATOM 1178 CB VAL A 77 2.050 -1.541 12.994 1.00 0.00 C ATOM 1179 CG1 VAL A 77 0.668 -1.514 12.357 1.00 0.00 C ATOM 1180 CG2 VAL A 77 2.361 -2.934 13.530 1.00 0.00 C ATOM 0 H VAL A 77 1.710 0.365 11.418 1.00 0.00 H new ATOM 0 HA VAL A 77 4.035 -0.811 12.526 1.00 0.00 H new ATOM 0 HB VAL A 77 2.061 -0.848 13.835 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.074 -1.847 13.083 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.434 -0.498 12.039 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.653 -2.177 11.492 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.587 -3.233 14.236 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.392 -3.643 12.703 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.327 -2.922 14.035 1.00 0.00 H new ATOM 1190 N GLY A 78 2.774 -2.176 9.856 1.00 0.00 N ATOM 1191 CA GLY A 78 2.975 -3.214 8.868 1.00 0.00 C ATOM 1192 C GLY A 78 1.910 -4.272 8.953 1.00 0.00 C ATOM 1193 O GLY A 78 2.195 -5.437 9.230 1.00 0.00 O ATOM 0 H GLY A 78 2.107 -1.452 9.589 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.973 -2.774 7.871 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.954 -3.670 9.013 1.00 0.00 H new ATOM 1197 N GLU A 79 0.677 -3.857 8.749 1.00 0.00 N ATOM 1198 CA GLU A 79 -0.447 -4.763 8.836 1.00 0.00 C ATOM 1199 C GLU A 79 -1.485 -4.445 7.776 1.00 0.00 C ATOM 1200 O GLU A 79 -1.352 -3.470 7.036 1.00 0.00 O ATOM 1201 CB GLU A 79 -1.062 -4.635 10.220 1.00 0.00 C ATOM 1202 CG GLU A 79 -1.744 -5.894 10.721 1.00 0.00 C ATOM 1203 CD GLU A 79 -3.208 -5.680 11.058 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -3.766 -4.636 10.658 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -3.798 -6.558 11.724 1.00 0.00 O ATOM 0 H GLU A 79 0.428 -2.894 8.521 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.102 -5.783 8.668 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.281 -4.353 10.927 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.789 -3.823 10.208 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.661 -6.672 9.962 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.222 -6.256 11.607 1.00 0.00 H new ATOM 1212 N VAL A 80 -2.528 -5.259 7.714 1.00 0.00 N ATOM 1213 CA VAL A 80 -3.588 -5.037 6.750 1.00 0.00 C ATOM 1214 C VAL A 80 -4.598 -4.041 7.308 1.00 0.00 C ATOM 1215 O VAL A 80 -4.824 -3.989 8.516 1.00 0.00 O ATOM 1216 CB VAL A 80 -4.303 -6.346 6.363 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -5.401 -6.078 5.344 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -3.304 -7.358 5.822 1.00 0.00 C ATOM 0 H VAL A 80 -2.660 -6.072 8.316 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.130 -4.633 5.847 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.765 -6.763 7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.893 -7.015 5.084 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.132 -5.390 5.769 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.966 -5.636 4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.826 -8.277 5.554 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.813 -6.948 4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.557 -7.575 6.585 1.00 0.00 H new ATOM 1228 N SER A 81 -5.192 -3.239 6.431 1.00 0.00 N ATOM 1229 CA SER A 81 -6.156 -2.231 6.862 1.00 0.00 C ATOM 1230 C SER A 81 -7.584 -2.649 6.535 1.00 0.00 C ATOM 1231 O SER A 81 -7.818 -3.532 5.711 1.00 0.00 O ATOM 1232 CB SER A 81 -5.841 -0.886 6.204 1.00 0.00 C ATOM 1233 OG SER A 81 -5.693 0.136 7.176 1.00 0.00 O ATOM 0 H SER A 81 -5.025 -3.266 5.425 1.00 0.00 H new ATOM 0 HA SER A 81 -6.074 -2.132 7.944 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.926 -0.970 5.618 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.640 -0.621 5.511 1.00 0.00 H new ATOM 0 HG SER A 81 -6.519 0.661 7.227 1.00 0.00 H new ATOM 1239 N GLU A 82 -8.533 -2.011 7.213 1.00 0.00 N ATOM 1240 CA GLU A 82 -9.949 -2.305 7.036 1.00 0.00 C ATOM 1241 C GLU A 82 -10.364 -2.288 5.567 1.00 0.00 C ATOM 1242 O GLU A 82 -9.737 -1.639 4.724 1.00 0.00 O ATOM 1243 CB GLU A 82 -10.795 -1.302 7.822 1.00 0.00 C ATOM 1244 CG GLU A 82 -10.732 -1.505 9.325 1.00 0.00 C ATOM 1245 CD GLU A 82 -10.808 -0.199 10.092 1.00 0.00 C ATOM 1246 OE1 GLU A 82 -9.774 0.495 10.188 1.00 0.00 O ATOM 1247 OE2 GLU A 82 -11.901 0.130 10.598 1.00 0.00 O ATOM 0 H GLU A 82 -8.342 -1.279 7.897 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.119 -3.313 7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.460 -0.292 7.585 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.832 -1.379 7.496 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.552 -2.153 9.635 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.805 -2.019 9.580 1.00 0.00 H new ATOM 1254 N PRO A 83 -11.450 -3.002 5.242 1.00 0.00 N ATOM 1255 CA PRO A 83 -11.964 -3.064 3.878 1.00 0.00 C ATOM 1256 C PRO A 83 -12.349 -1.685 3.358 1.00 0.00 C ATOM 1257 O PRO A 83 -13.369 -1.122 3.755 1.00 0.00 O ATOM 1258 CB PRO A 83 -13.201 -3.965 3.991 1.00 0.00 C ATOM 1259 CG PRO A 83 -13.562 -3.950 5.438 1.00 0.00 C ATOM 1260 CD PRO A 83 -12.267 -3.791 6.179 1.00 0.00 C ATOM 0 HA PRO A 83 -11.221 -3.443 3.176 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.019 -3.590 3.377 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.984 -4.977 3.649 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -14.245 -3.130 5.663 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -14.066 -4.873 5.725 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.405 -3.275 7.129 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.809 -4.754 6.404 1.00 0.00 H new ATOM 1268 N VAL A 84 -11.522 -1.146 2.470 1.00 0.00 N ATOM 1269 CA VAL A 84 -11.772 0.171 1.894 1.00 0.00 C ATOM 1270 C VAL A 84 -12.365 0.039 0.498 1.00 0.00 C ATOM 1271 O VAL A 84 -11.675 -0.345 -0.445 1.00 0.00 O ATOM 1272 CB VAL A 84 -10.475 0.998 1.795 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -10.750 2.360 1.175 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -9.821 1.157 3.155 1.00 0.00 C ATOM 0 H VAL A 84 -10.673 -1.600 2.133 1.00 0.00 H new ATOM 0 HA VAL A 84 -12.474 0.681 2.554 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.784 0.456 1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.821 2.927 1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.160 2.228 0.174 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.467 2.903 1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.909 1.745 3.053 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.507 1.666 3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.577 0.174 3.558 1.00 0.00 H new ATOM 1284 N LYS A 85 -13.649 0.356 0.374 1.00 0.00 N ATOM 1285 CA LYS A 85 -14.333 0.262 -0.908 1.00 0.00 C ATOM 1286 C LYS A 85 -14.272 1.578 -1.668 1.00 0.00 C ATOM 1287 O LYS A 85 -14.871 2.574 -1.263 1.00 0.00 O ATOM 1288 CB LYS A 85 -15.792 -0.149 -0.700 1.00 0.00 C ATOM 1289 CG LYS A 85 -16.411 -0.828 -1.912 1.00 0.00 C ATOM 1290 CD LYS A 85 -17.000 0.187 -2.878 1.00 0.00 C ATOM 1291 CE LYS A 85 -16.886 -0.285 -4.319 1.00 0.00 C ATOM 1292 NZ LYS A 85 -17.490 0.687 -5.273 1.00 0.00 N ATOM 0 H LYS A 85 -14.235 0.679 1.144 1.00 0.00 H new ATOM 0 HA LYS A 85 -13.823 -0.497 -1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -15.853 -0.823 0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.378 0.736 -0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -15.654 -1.422 -2.424 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -17.190 -1.517 -1.586 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -18.048 0.360 -2.632 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -16.485 1.141 -2.764 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -15.836 -0.434 -4.570 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -17.380 -1.251 -4.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -17.701 0.207 -6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -18.369 1.069 -4.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -16.822 1.465 -5.445 1.00 0.00 H new ATOM 1306 N SER A 86 -13.554 1.566 -2.785 1.00 0.00 N ATOM 1307 CA SER A 86 -13.421 2.749 -3.622 1.00 0.00 C ATOM 1308 C SER A 86 -14.293 2.613 -4.864 1.00 0.00 C ATOM 1309 O SER A 86 -15.094 1.685 -4.970 1.00 0.00 O ATOM 1310 CB SER A 86 -11.959 2.956 -4.025 1.00 0.00 C ATOM 1311 OG SER A 86 -11.115 2.985 -2.887 1.00 0.00 O ATOM 0 H SER A 86 -13.054 0.747 -3.131 1.00 0.00 H new ATOM 0 HA SER A 86 -13.751 3.618 -3.052 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.646 2.154 -4.693 1.00 0.00 H new ATOM 0 HB3 SER A 86 -11.860 3.890 -4.579 1.00 0.00 H new ATOM 0 HG SER A 86 -10.363 2.371 -3.022 1.00 0.00 H new ATOM 1317 N GLU A 87 -14.137 3.539 -5.803 1.00 0.00 N ATOM 1318 CA GLU A 87 -14.915 3.510 -7.035 1.00 0.00 C ATOM 1319 C GLU A 87 -14.594 2.267 -7.868 1.00 0.00 C ATOM 1320 O GLU A 87 -15.307 1.950 -8.821 1.00 0.00 O ATOM 1321 CB GLU A 87 -14.647 4.771 -7.858 1.00 0.00 C ATOM 1322 CG GLU A 87 -13.170 5.099 -8.004 1.00 0.00 C ATOM 1323 CD GLU A 87 -12.807 6.443 -7.401 1.00 0.00 C ATOM 1324 OE1 GLU A 87 -13.688 7.326 -7.348 1.00 0.00 O ATOM 1325 OE2 GLU A 87 -11.642 6.611 -6.984 1.00 0.00 O ATOM 0 H GLU A 87 -13.481 4.317 -5.735 1.00 0.00 H new ATOM 0 HA GLU A 87 -15.970 3.473 -6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.083 4.647 -8.849 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.154 5.615 -7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.579 4.319 -7.524 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.904 5.096 -9.061 1.00 0.00 H new ATOM 1332 N PHE A 88 -13.516 1.571 -7.512 1.00 0.00 N ATOM 1333 CA PHE A 88 -13.105 0.374 -8.238 1.00 0.00 C ATOM 1334 C PHE A 88 -13.549 -0.901 -7.519 1.00 0.00 C ATOM 1335 O PHE A 88 -13.828 -1.916 -8.158 1.00 0.00 O ATOM 1336 CB PHE A 88 -11.585 0.370 -8.419 1.00 0.00 C ATOM 1337 CG PHE A 88 -11.141 0.820 -9.781 1.00 0.00 C ATOM 1338 CD1 PHE A 88 -11.309 0.000 -10.885 1.00 0.00 C ATOM 1339 CD2 PHE A 88 -10.556 2.064 -9.959 1.00 0.00 C ATOM 1340 CE1 PHE A 88 -10.901 0.411 -12.140 1.00 0.00 C ATOM 1341 CE2 PHE A 88 -10.147 2.480 -11.211 1.00 0.00 C ATOM 1342 CZ PHE A 88 -10.320 1.652 -12.304 1.00 0.00 C ATOM 0 H PHE A 88 -12.913 1.816 -6.726 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.589 0.392 -9.214 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.136 1.019 -7.667 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.208 -0.637 -8.237 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -11.764 -0.972 -10.764 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.418 2.716 -9.109 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.037 -0.239 -12.992 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -9.692 3.452 -11.336 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.001 1.975 -13.284 1.00 0.00 H new ATOM 1352 N GLY A 89 -13.602 -0.848 -6.191 1.00 0.00 N ATOM 1353 CA GLY A 89 -14.004 -2.013 -5.417 1.00 0.00 C ATOM 1354 C GLY A 89 -13.474 -1.980 -4.004 1.00 0.00 C ATOM 1355 O GLY A 89 -12.926 -0.970 -3.560 1.00 0.00 O ATOM 0 H GLY A 89 -13.375 -0.022 -5.637 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.092 -2.071 -5.392 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.648 -2.916 -5.914 1.00 0.00 H new ATOM 1359 N TYR A 90 -13.636 -3.088 -3.291 1.00 0.00 N ATOM 1360 CA TYR A 90 -13.172 -3.181 -1.922 1.00 0.00 C ATOM 1361 C TYR A 90 -11.670 -3.447 -1.889 1.00 0.00 C ATOM 1362 O TYR A 90 -11.217 -4.579 -2.060 1.00 0.00 O ATOM 1363 CB TYR A 90 -13.956 -4.267 -1.198 1.00 0.00 C ATOM 1364 CG TYR A 90 -14.999 -3.710 -0.254 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -14.637 -3.144 0.964 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -16.348 -3.734 -0.589 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -15.589 -2.621 1.818 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -17.305 -3.215 0.260 1.00 0.00 C ATOM 1369 CZ TYR A 90 -16.922 -2.658 1.464 1.00 0.00 C ATOM 1370 OH TYR A 90 -17.871 -2.135 2.315 1.00 0.00 O ATOM 0 H TYR A 90 -14.086 -3.933 -3.643 1.00 0.00 H new ATOM 0 HA TYR A 90 -13.343 -2.235 -1.408 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.444 -4.907 -1.933 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.264 -4.895 -0.637 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -13.595 -3.113 1.247 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -16.653 -4.166 -1.530 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -15.291 -2.185 2.760 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -18.349 -3.245 -0.016 1.00 0.00 H new ATOM 0 HH TYR A 90 -18.715 -2.621 2.202 1.00 0.00 H new ATOM 1380 N HIS A 91 -10.912 -2.373 -1.696 1.00 0.00 N ATOM 1381 CA HIS A 91 -9.455 -2.433 -1.667 1.00 0.00 C ATOM 1382 C HIS A 91 -8.921 -2.909 -0.318 1.00 0.00 C ATOM 1383 O HIS A 91 -9.657 -3.006 0.662 1.00 0.00 O ATOM 1384 CB HIS A 91 -8.880 -1.050 -1.979 1.00 0.00 C ATOM 1385 CG HIS A 91 -9.155 -0.577 -3.374 1.00 0.00 C ATOM 1386 ND1 HIS A 91 -10.389 -0.685 -3.980 1.00 0.00 N ATOM 1387 CD2 HIS A 91 -8.344 0.019 -4.281 1.00 0.00 C ATOM 1388 CE1 HIS A 91 -10.326 -0.177 -5.198 1.00 0.00 C ATOM 1389 NE2 HIS A 91 -9.097 0.257 -5.405 1.00 0.00 N ATOM 0 H HIS A 91 -11.290 -1.436 -1.555 1.00 0.00 H new ATOM 0 HA HIS A 91 -9.143 -3.156 -2.420 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.292 -0.329 -1.274 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.802 -1.071 -1.819 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -11.221 -1.094 -3.554 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.300 0.262 -4.146 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.142 -0.126 -5.904 1.00 0.00 H new ATOM 1398 N VAL A 92 -7.618 -3.186 -0.290 1.00 0.00 N ATOM 1399 CA VAL A 92 -6.938 -3.635 0.920 1.00 0.00 C ATOM 1400 C VAL A 92 -5.515 -3.089 0.946 1.00 0.00 C ATOM 1401 O VAL A 92 -4.853 -3.023 -0.091 1.00 0.00 O ATOM 1402 CB VAL A 92 -6.894 -5.171 1.014 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -6.440 -5.609 2.397 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -8.254 -5.766 0.678 1.00 0.00 C ATOM 0 H VAL A 92 -7.008 -3.105 -1.103 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.501 -3.258 1.774 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.171 -5.540 0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.415 -6.698 2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.443 -5.214 2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.135 -5.229 3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.204 -6.852 0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.999 -5.390 1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.535 -5.482 -0.336 1.00 0.00 H new ATOM 1414 N ILE A 93 -5.049 -2.680 2.123 1.00 0.00 N ATOM 1415 CA ILE A 93 -3.705 -2.119 2.252 1.00 0.00 C ATOM 1416 C ILE A 93 -2.839 -2.911 3.225 1.00 0.00 C ATOM 1417 O ILE A 93 -3.180 -3.056 4.398 1.00 0.00 O ATOM 1418 CB ILE A 93 -3.742 -0.645 2.720 1.00 0.00 C ATOM 1419 CG1 ILE A 93 -5.138 -0.043 2.504 1.00 0.00 C ATOM 1420 CG2 ILE A 93 -2.678 0.167 1.992 1.00 0.00 C ATOM 1421 CD1 ILE A 93 -5.192 1.462 2.664 1.00 0.00 C ATOM 0 H ILE A 93 -5.576 -2.725 2.995 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.267 -2.177 1.256 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.525 -0.613 3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.484 -0.304 1.504 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.832 -0.498 3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.715 1.202 2.331 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.693 -0.249 2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.863 0.130 0.918 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.211 1.809 2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.878 1.732 3.672 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.525 1.929 1.939 1.00 0.00 H new ATOM 1433 N LYS A 94 -1.702 -3.393 2.732 1.00 0.00 N ATOM 1434 CA LYS A 94 -0.761 -4.144 3.555 1.00 0.00 C ATOM 1435 C LYS A 94 0.638 -3.552 3.416 1.00 0.00 C ATOM 1436 O LYS A 94 1.273 -3.670 2.371 1.00 0.00 O ATOM 1437 CB LYS A 94 -0.756 -5.621 3.152 1.00 0.00 C ATOM 1438 CG LYS A 94 -0.323 -6.553 4.273 1.00 0.00 C ATOM 1439 CD LYS A 94 1.063 -6.201 4.787 1.00 0.00 C ATOM 1440 CE LYS A 94 1.556 -7.222 5.801 1.00 0.00 C ATOM 1441 NZ LYS A 94 2.216 -8.382 5.144 1.00 0.00 N ATOM 0 H LYS A 94 -1.410 -3.276 1.762 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.073 -4.074 4.597 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.756 -5.903 2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.089 -5.755 2.300 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.041 -6.497 5.092 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.328 -7.582 3.914 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.761 -6.151 3.951 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.042 -5.212 5.245 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.258 -6.745 6.485 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.716 -7.574 6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.217 -9.194 5.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.697 -8.632 4.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.196 -8.132 4.900 1.00 0.00 H new ATOM 1455 N ARG A 95 1.107 -2.895 4.470 1.00 0.00 N ATOM 1456 CA ARG A 95 2.420 -2.257 4.455 1.00 0.00 C ATOM 1457 C ARG A 95 3.539 -3.249 4.147 1.00 0.00 C ATOM 1458 O ARG A 95 3.648 -4.308 4.763 1.00 0.00 O ATOM 1459 CB ARG A 95 2.689 -1.568 5.794 1.00 0.00 C ATOM 1460 CG ARG A 95 2.884 -0.065 5.678 1.00 0.00 C ATOM 1461 CD ARG A 95 3.850 0.455 6.730 1.00 0.00 C ATOM 1462 NE ARG A 95 5.207 -0.044 6.522 1.00 0.00 N ATOM 1463 CZ ARG A 95 6.049 0.453 5.619 1.00 0.00 C ATOM 1464 NH1 ARG A 95 5.677 1.463 4.841 1.00 0.00 N ATOM 1465 NH2 ARG A 95 7.265 -0.059 5.493 1.00 0.00 N ATOM 0 H ARG A 95 0.598 -2.789 5.347 1.00 0.00 H new ATOM 0 HA ARG A 95 2.409 -1.515 3.657 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.856 -1.767 6.469 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.578 -2.007 6.247 1.00 0.00 H new ATOM 0 HG2 ARG A 95 3.261 0.178 4.685 1.00 0.00 H new ATOM 0 HG3 ARG A 95 1.922 0.437 5.786 1.00 0.00 H new ATOM 0 HD2 ARG A 95 3.857 1.545 6.708 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.502 0.158 7.720 1.00 0.00 H new ATOM 0 HE ARG A 95 5.528 -0.819 7.103 1.00 0.00 H new ATOM 0 HH11 ARG A 95 4.743 1.861 4.934 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.326 1.841 4.150 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.556 -0.834 6.088 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.910 0.322 4.801 1.00 0.00 H new ATOM 1479 N LEU A 96 4.371 -2.868 3.181 1.00 0.00 N ATOM 1480 CA LEU A 96 5.497 -3.656 2.746 1.00 0.00 C ATOM 1481 C LEU A 96 6.487 -2.769 1.985 1.00 0.00 C ATOM 1482 O LEU A 96 6.169 -2.224 0.929 1.00 0.00 O ATOM 1483 CB LEU A 96 5.010 -4.803 1.858 1.00 0.00 C ATOM 1484 CG LEU A 96 5.085 -4.559 0.344 1.00 0.00 C ATOM 1485 CD1 LEU A 96 6.500 -4.799 -0.168 1.00 0.00 C ATOM 1486 CD2 LEU A 96 4.089 -5.440 -0.396 1.00 0.00 C ATOM 0 H LEU A 96 4.271 -1.987 2.677 1.00 0.00 H new ATOM 0 HA LEU A 96 6.004 -4.077 3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.596 -5.692 2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.975 -5.025 2.120 1.00 0.00 H new ATOM 0 HG LEU A 96 4.823 -3.518 0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.533 -4.621 -1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.189 -4.119 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.792 -5.829 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.160 -5.250 -1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.313 -6.488 -0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.079 -5.214 -0.054 1.00 0.00 H new ATOM 1498 N GLY A 97 7.684 -2.626 2.524 1.00 0.00 N ATOM 1499 CA GLY A 97 8.691 -1.811 1.876 1.00 0.00 C ATOM 1500 C GLY A 97 10.098 -2.167 2.311 1.00 0.00 C ATOM 1501 O GLY A 97 10.637 -1.479 3.202 1.00 0.00 O ATOM 1502 OXT GLY A 97 10.663 -3.135 1.759 1.00 0.00 O ATOM 0 H GLY A 97 7.979 -3.059 3.399 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.608 -1.929 0.796 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.501 -0.761 2.098 1.00 0.00 H new TER 1506 GLY A 97