USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 623 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 23 LYS NZ :NH3+ -157:sc= 2.39 (180deg=0.462) USER MOD Set 1.2: A 25 TYR OH : rot 81:sc= 2.23 USER MOD Set 2.1: A 6 CYS SG : rot -12:sc= 2.07 USER MOD Set 2.2: A 8 THR OG1 : rot -67:sc= 2.52 USER MOD Set 2.3: A 31 SER OG : rot -61:sc= 1.08 USER MOD Single : A 1 GLU N :NH3+ -167:sc= 1.03 (180deg=0.363) USER MOD Single : A 3 MET CE :methyl 168:sc= -0.0297 (180deg=-0.27) USER MOD Single : A 10 THR OG1 : rot 104:sc= 1.19 USER MOD Single : A 11 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0425) USER MOD Single : A 13 LYS NZ :NH3+ -153:sc= 0.851 (180deg=0.404) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 165:sc= -0.0588 (180deg=-0.249) USER MOD Single : A 21 THR OG1 : rot -77:sc= 1.78 USER MOD Single : A 22 GLN : amide:sc= -0.521 X(o=-0.52,f=-0.6) USER MOD Single : A 28 SER OG : rot -123:sc= 0.103 USER MOD Single : A 30 LYS NZ :NH3+ -165:sc= -0.0207 (180deg=-0.222) USER MOD Single : A 32 THR OG1 : rot -107:sc= 1.32 USER MOD Single : A 41 TYR OH : rot 165:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 1.14 K(o=1.1,f=-5!) USER MOD Single : A 45 TYR OH : rot -113:sc= 1.32 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.147 K(o=-0.15,f=-4.7!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -163:sc= 1.24 (180deg=0.0171) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 75 HIS : no HE2:sc= 0.53 K(o=0.53,f=-6!) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 21.584 0.099 -10.257 1.00 0.00 N ATOM 2 CA GLU A 1 20.327 0.804 -10.507 1.00 0.00 C ATOM 3 C GLU A 1 19.167 -0.124 -10.250 1.00 0.00 C ATOM 4 O GLU A 1 19.257 -1.323 -10.530 1.00 0.00 O ATOM 5 CB GLU A 1 20.244 1.378 -11.942 1.00 0.00 C ATOM 6 CG GLU A 1 21.185 2.556 -12.239 1.00 0.00 C ATOM 7 CD GLU A 1 22.650 2.189 -12.250 1.00 0.00 C ATOM 8 OE1 GLU A 1 23.224 1.971 -11.174 1.00 0.00 O ATOM 9 OE2 GLU A 1 23.250 2.125 -13.338 1.00 0.00 O ATOM 0 H1 GLU A 1 22.365 0.785 -10.218 1.00 0.00 H new ATOM 0 H2 GLU A 1 21.523 -0.408 -9.351 1.00 0.00 H new ATOM 0 H3 GLU A 1 21.759 -0.581 -11.024 1.00 0.00 H new ATOM 0 HA GLU A 1 20.285 1.652 -9.823 1.00 0.00 H new ATOM 0 HB2 GLU A 1 20.460 0.576 -12.648 1.00 0.00 H new ATOM 0 HB3 GLU A 1 19.219 1.699 -12.127 1.00 0.00 H new ATOM 0 HG2 GLU A 1 20.921 2.982 -13.207 1.00 0.00 H new ATOM 0 HG3 GLU A 1 21.022 3.334 -11.493 1.00 0.00 H new ATOM 18 N ASP A 2 18.094 0.406 -9.713 1.00 0.00 N ATOM 19 CA ASP A 2 16.913 -0.390 -9.405 1.00 0.00 C ATOM 20 C ASP A 2 15.709 0.217 -10.043 1.00 0.00 C ATOM 21 O ASP A 2 15.584 1.448 -10.098 1.00 0.00 O ATOM 22 CB ASP A 2 16.640 -0.471 -7.891 1.00 0.00 C ATOM 23 CG ASP A 2 17.648 -1.257 -7.100 1.00 0.00 C ATOM 24 OD1 ASP A 2 17.471 -2.477 -6.945 1.00 0.00 O ATOM 25 OD2 ASP A 2 18.615 -0.653 -6.579 1.00 0.00 O ATOM 0 H ASP A 2 18.007 1.394 -9.476 1.00 0.00 H new ATOM 0 HA ASP A 2 17.106 -1.392 -9.787 1.00 0.00 H new ATOM 0 HB2 ASP A 2 16.598 0.542 -7.491 1.00 0.00 H new ATOM 0 HB3 ASP A 2 15.656 -0.915 -7.739 1.00 0.00 H new ATOM 30 N MET A 3 14.828 -0.615 -10.510 1.00 0.00 N ATOM 31 CA MET A 3 13.568 -0.173 -11.061 1.00 0.00 C ATOM 32 C MET A 3 12.487 -1.086 -10.548 1.00 0.00 C ATOM 33 O MET A 3 12.671 -2.307 -10.492 1.00 0.00 O ATOM 34 CB MET A 3 13.554 -0.187 -12.614 1.00 0.00 C ATOM 35 CG MET A 3 13.673 -1.581 -13.246 1.00 0.00 C ATOM 36 SD MET A 3 13.418 -1.588 -15.037 1.00 0.00 S ATOM 37 CE MET A 3 14.728 -0.494 -15.587 1.00 0.00 C ATOM 0 H MET A 3 14.957 -1.627 -10.523 1.00 0.00 H new ATOM 0 HA MET A 3 13.406 0.859 -10.750 1.00 0.00 H new ATOM 0 HB2 MET A 3 12.629 0.275 -12.959 1.00 0.00 H new ATOM 0 HB3 MET A 3 14.375 0.432 -12.976 1.00 0.00 H new ATOM 0 HG2 MET A 3 14.660 -1.987 -13.026 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.944 -2.245 -12.781 1.00 0.00 H new ATOM 0 HE1 MET A 3 14.833 -0.567 -16.670 1.00 0.00 H new ATOM 0 HE2 MET A 3 14.483 0.533 -15.315 1.00 0.00 H new ATOM 0 HE3 MET A 3 15.666 -0.782 -15.112 1.00 0.00 H new ATOM 47 N GLU A 4 11.397 -0.530 -10.141 1.00 0.00 N ATOM 48 CA GLU A 4 10.290 -1.320 -9.732 1.00 0.00 C ATOM 49 C GLU A 4 9.490 -1.645 -10.985 1.00 0.00 C ATOM 50 O GLU A 4 9.387 -0.793 -11.865 1.00 0.00 O ATOM 51 CB GLU A 4 9.402 -0.586 -8.717 1.00 0.00 C ATOM 52 CG GLU A 4 10.087 -0.135 -7.425 1.00 0.00 C ATOM 53 CD GLU A 4 10.960 1.090 -7.592 1.00 0.00 C ATOM 54 OE1 GLU A 4 10.417 2.193 -7.783 1.00 0.00 O ATOM 55 OE2 GLU A 4 12.191 0.984 -7.496 1.00 0.00 O ATOM 0 H GLU A 4 11.250 0.478 -10.083 1.00 0.00 H new ATOM 0 HA GLU A 4 10.647 -2.223 -9.237 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.977 0.292 -9.204 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.570 -1.239 -8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.325 0.073 -6.674 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.696 -0.954 -7.042 1.00 0.00 H new ATOM 62 N PRO A 5 8.934 -2.874 -11.109 1.00 0.00 N ATOM 63 CA PRO A 5 8.168 -3.283 -12.307 1.00 0.00 C ATOM 64 C PRO A 5 7.049 -2.282 -12.614 1.00 0.00 C ATOM 65 O PRO A 5 6.973 -1.719 -13.709 1.00 0.00 O ATOM 66 CB PRO A 5 7.589 -4.642 -11.913 1.00 0.00 C ATOM 67 CG PRO A 5 8.513 -5.164 -10.864 1.00 0.00 C ATOM 68 CD PRO A 5 9.019 -3.964 -10.113 1.00 0.00 C ATOM 0 HA PRO A 5 8.782 -3.325 -13.207 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.573 -4.543 -11.531 1.00 0.00 H new ATOM 0 HB3 PRO A 5 7.543 -5.315 -12.769 1.00 0.00 H new ATOM 0 HG2 PRO A 5 7.994 -5.851 -10.195 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.337 -5.718 -11.313 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.409 -3.754 -9.234 1.00 0.00 H new ATOM 0 HD3 PRO A 5 10.041 -4.110 -9.764 1.00 0.00 H new ATOM 76 N CYS A 6 6.203 -2.082 -11.647 1.00 0.00 N ATOM 77 CA CYS A 6 5.181 -1.054 -11.679 1.00 0.00 C ATOM 78 C CYS A 6 4.910 -0.620 -10.250 1.00 0.00 C ATOM 79 O CYS A 6 3.764 -0.512 -9.804 1.00 0.00 O ATOM 80 CB CYS A 6 3.910 -1.523 -12.428 1.00 0.00 C ATOM 81 SG CYS A 6 3.254 -3.136 -11.937 1.00 0.00 S ATOM 0 H CYS A 6 6.196 -2.636 -10.791 1.00 0.00 H new ATOM 0 HA CYS A 6 5.531 -0.193 -12.248 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.130 -0.776 -12.283 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.130 -1.551 -13.495 1.00 0.00 H new ATOM 0 HG CYS A 6 4.129 -3.754 -11.200 1.00 0.00 H new ATOM 87 N LEU A 7 6.042 -0.371 -9.541 1.00 0.00 N ATOM 88 CA LEU A 7 6.098 0.014 -8.104 1.00 0.00 C ATOM 89 C LEU A 7 5.828 -1.197 -7.207 1.00 0.00 C ATOM 90 O LEU A 7 5.770 -1.105 -5.977 1.00 0.00 O ATOM 91 CB LEU A 7 5.193 1.236 -7.750 1.00 0.00 C ATOM 92 CG LEU A 7 5.612 2.621 -8.329 1.00 0.00 C ATOM 93 CD1 LEU A 7 5.461 2.698 -9.847 1.00 0.00 C ATOM 94 CD2 LEU A 7 4.830 3.736 -7.673 1.00 0.00 C ATOM 0 H LEU A 7 6.968 -0.434 -9.965 1.00 0.00 H new ATOM 0 HA LEU A 7 7.114 0.356 -7.909 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.181 1.018 -8.092 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.150 1.322 -6.664 1.00 0.00 H new ATOM 0 HG LEU A 7 6.672 2.741 -8.103 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.767 3.685 -10.194 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.088 1.939 -10.314 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.420 2.525 -10.118 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.139 4.693 -8.093 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.765 3.588 -7.853 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.021 3.732 -6.600 1.00 0.00 H new ATOM 106 N THR A 8 5.758 -2.326 -7.861 1.00 0.00 N ATOM 107 CA THR A 8 5.447 -3.613 -7.300 1.00 0.00 C ATOM 108 C THR A 8 6.488 -4.083 -6.280 1.00 0.00 C ATOM 109 O THR A 8 7.694 -3.912 -6.482 1.00 0.00 O ATOM 110 CB THR A 8 5.439 -4.607 -8.450 1.00 0.00 C ATOM 111 OG1 THR A 8 4.876 -3.942 -9.601 1.00 0.00 O ATOM 112 CG2 THR A 8 4.577 -5.795 -8.095 1.00 0.00 C ATOM 0 H THR A 8 5.928 -2.373 -8.866 1.00 0.00 H new ATOM 0 HA THR A 8 4.490 -3.542 -6.784 1.00 0.00 H new ATOM 0 HB THR A 8 6.451 -4.954 -8.656 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.931 -3.744 -9.435 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.575 -6.504 -8.923 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.975 -6.280 -7.203 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.558 -5.460 -7.902 1.00 0.00 H new ATOM 120 N GLY A 9 6.014 -4.668 -5.199 1.00 0.00 N ATOM 121 CA GLY A 9 6.899 -5.256 -4.218 1.00 0.00 C ATOM 122 C GLY A 9 7.106 -4.377 -3.022 1.00 0.00 C ATOM 123 O GLY A 9 7.481 -4.854 -1.949 1.00 0.00 O ATOM 0 H GLY A 9 5.021 -4.748 -4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.490 -6.213 -3.894 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.863 -5.463 -4.683 1.00 0.00 H new ATOM 127 N THR A 10 6.874 -3.101 -3.201 1.00 0.00 N ATOM 128 CA THR A 10 7.032 -2.136 -2.146 1.00 0.00 C ATOM 129 C THR A 10 5.995 -2.398 -1.055 1.00 0.00 C ATOM 130 O THR A 10 4.779 -2.360 -1.311 1.00 0.00 O ATOM 131 CB THR A 10 6.824 -0.726 -2.692 1.00 0.00 C ATOM 132 OG1 THR A 10 7.545 -0.582 -3.935 1.00 0.00 O ATOM 133 CG2 THR A 10 7.322 0.322 -1.698 1.00 0.00 C ATOM 0 H THR A 10 6.568 -2.702 -4.088 1.00 0.00 H new ATOM 0 HA THR A 10 8.038 -2.225 -1.736 1.00 0.00 H new ATOM 0 HB THR A 10 5.757 -0.573 -2.856 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.915 -0.621 -4.685 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.163 1.319 -2.110 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.773 0.225 -0.761 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.386 0.171 -1.513 1.00 0.00 H new ATOM 141 N LYS A 11 6.463 -2.691 0.126 1.00 0.00 N ATOM 142 CA LYS A 11 5.583 -2.941 1.240 1.00 0.00 C ATOM 143 C LYS A 11 5.353 -1.623 1.943 1.00 0.00 C ATOM 144 O LYS A 11 6.290 -1.007 2.479 1.00 0.00 O ATOM 145 CB LYS A 11 6.151 -3.993 2.199 1.00 0.00 C ATOM 146 CG LYS A 11 6.686 -5.241 1.499 1.00 0.00 C ATOM 147 CD LYS A 11 7.117 -6.311 2.490 1.00 0.00 C ATOM 148 CE LYS A 11 8.013 -7.352 1.831 1.00 0.00 C ATOM 149 NZ LYS A 11 7.374 -8.022 0.689 1.00 0.00 N ATOM 0 H LYS A 11 7.456 -2.764 0.346 1.00 0.00 H new ATOM 0 HA LYS A 11 4.640 -3.350 0.878 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.954 -3.543 2.783 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.372 -4.288 2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.917 -5.645 0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.533 -4.968 0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.647 -5.846 3.321 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.236 -6.799 2.907 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.932 -6.872 1.495 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.296 -8.100 2.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.966 -8.819 0.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.438 -8.376 0.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.266 -7.346 -0.094 1.00 0.00 H new ATOM 163 N VAL A 12 4.136 -1.186 1.906 1.00 0.00 N ATOM 164 CA VAL A 12 3.753 0.108 2.391 1.00 0.00 C ATOM 165 C VAL A 12 2.744 -0.022 3.507 1.00 0.00 C ATOM 166 O VAL A 12 2.332 -1.134 3.874 1.00 0.00 O ATOM 167 CB VAL A 12 3.143 0.971 1.253 1.00 0.00 C ATOM 168 CG1 VAL A 12 4.183 1.269 0.189 1.00 0.00 C ATOM 169 CG2 VAL A 12 1.932 0.268 0.628 1.00 0.00 C ATOM 0 H VAL A 12 3.359 -1.729 1.529 1.00 0.00 H new ATOM 0 HA VAL A 12 4.651 0.598 2.767 1.00 0.00 H new ATOM 0 HB VAL A 12 2.810 1.914 1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.735 1.875 -0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.015 1.813 0.636 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.547 0.334 -0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.520 0.890 -0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.242 -0.692 0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.172 0.105 1.392 1.00 0.00 H new ATOM 179 N LYS A 13 2.349 1.083 4.034 1.00 0.00 N ATOM 180 CA LYS A 13 1.395 1.119 5.084 1.00 0.00 C ATOM 181 C LYS A 13 0.242 1.944 4.569 1.00 0.00 C ATOM 182 O LYS A 13 0.458 2.924 3.901 1.00 0.00 O ATOM 183 CB LYS A 13 2.051 1.767 6.277 1.00 0.00 C ATOM 184 CG LYS A 13 1.318 1.666 7.585 1.00 0.00 C ATOM 185 CD LYS A 13 2.107 2.379 8.651 1.00 0.00 C ATOM 186 CE LYS A 13 1.546 2.122 10.018 1.00 0.00 C ATOM 187 NZ LYS A 13 2.051 0.860 10.613 1.00 0.00 N ATOM 0 H LYS A 13 2.685 2.001 3.743 1.00 0.00 H new ATOM 0 HA LYS A 13 1.040 0.133 5.385 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.039 1.324 6.405 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.202 2.823 6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.325 2.107 7.494 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.178 0.620 7.858 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.146 2.051 8.616 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.104 3.451 8.451 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.799 2.955 10.673 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.458 2.082 9.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.351 0.490 11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.210 0.161 9.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.946 1.044 11.109 1.00 0.00 H new ATOM 201 N VAL A 14 -0.942 1.540 4.843 1.00 0.00 N ATOM 202 CA VAL A 14 -2.115 2.188 4.299 1.00 0.00 C ATOM 203 C VAL A 14 -3.001 2.675 5.436 1.00 0.00 C ATOM 204 O VAL A 14 -3.148 1.994 6.458 1.00 0.00 O ATOM 205 CB VAL A 14 -2.917 1.213 3.377 1.00 0.00 C ATOM 206 CG1 VAL A 14 -4.102 1.904 2.731 1.00 0.00 C ATOM 207 CG2 VAL A 14 -2.018 0.598 2.309 1.00 0.00 C ATOM 0 H VAL A 14 -1.145 0.748 5.452 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.794 3.037 3.696 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.297 0.413 4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.635 1.195 2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.773 2.275 3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.750 2.739 2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.604 -0.075 1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.593 1.389 1.691 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.213 0.040 2.788 1.00 0.00 H new ATOM 217 N LYS A 15 -3.552 3.844 5.266 1.00 0.00 N ATOM 218 CA LYS A 15 -4.426 4.452 6.232 1.00 0.00 C ATOM 219 C LYS A 15 -5.706 4.780 5.514 1.00 0.00 C ATOM 220 O LYS A 15 -5.747 5.734 4.771 1.00 0.00 O ATOM 221 CB LYS A 15 -3.771 5.736 6.732 1.00 0.00 C ATOM 222 CG LYS A 15 -4.576 6.519 7.752 1.00 0.00 C ATOM 223 CD LYS A 15 -3.861 7.801 8.168 1.00 0.00 C ATOM 224 CE LYS A 15 -2.553 7.524 8.899 1.00 0.00 C ATOM 225 NZ LYS A 15 -1.880 8.772 9.287 1.00 0.00 N ATOM 0 H LYS A 15 -3.403 4.414 4.433 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.618 3.795 7.080 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.805 5.485 7.171 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.574 6.381 5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.552 6.765 7.334 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.753 5.899 8.631 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.659 8.405 7.283 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.517 8.387 8.811 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.751 6.924 9.787 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.894 6.937 8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.993 8.549 9.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.670 9.332 8.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.500 9.319 9.917 1.00 0.00 H new ATOM 239 N TYR A 16 -6.741 4.010 5.726 1.00 0.00 N ATOM 240 CA TYR A 16 -7.939 4.173 4.932 1.00 0.00 C ATOM 241 C TYR A 16 -9.172 4.073 5.817 1.00 0.00 C ATOM 242 O TYR A 16 -9.387 3.045 6.463 1.00 0.00 O ATOM 243 CB TYR A 16 -7.971 3.040 3.890 1.00 0.00 C ATOM 244 CG TYR A 16 -8.717 3.335 2.601 1.00 0.00 C ATOM 245 CD1 TYR A 16 -9.886 4.083 2.577 1.00 0.00 C ATOM 246 CD2 TYR A 16 -8.227 2.856 1.401 1.00 0.00 C ATOM 247 CE1 TYR A 16 -10.537 4.349 1.388 1.00 0.00 C ATOM 248 CE2 TYR A 16 -8.874 3.113 0.207 1.00 0.00 C ATOM 249 CZ TYR A 16 -10.027 3.862 0.208 1.00 0.00 C ATOM 250 OH TYR A 16 -10.667 4.140 -0.981 1.00 0.00 O ATOM 0 H TYR A 16 -6.784 3.273 6.430 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.936 5.149 4.447 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.944 2.777 3.639 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.421 2.162 4.353 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.293 4.463 3.502 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.320 2.269 1.396 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.443 4.937 1.386 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.477 2.728 -0.721 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.178 3.723 -1.721 1.00 0.00 H new ATOM 260 N GLY A 17 -9.950 5.123 5.884 1.00 0.00 N ATOM 261 CA GLY A 17 -11.189 5.064 6.614 1.00 0.00 C ATOM 262 C GLY A 17 -11.937 6.358 6.583 1.00 0.00 C ATOM 263 O GLY A 17 -11.406 7.384 6.110 1.00 0.00 O ATOM 0 H GLY A 17 -9.750 6.022 5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.816 4.276 6.196 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.984 4.792 7.649 1.00 0.00 H new ATOM 267 N ARG A 18 -13.158 6.319 7.064 1.00 0.00 N ATOM 268 CA ARG A 18 -14.009 7.476 7.122 1.00 0.00 C ATOM 269 C ARG A 18 -14.389 7.777 8.585 1.00 0.00 C ATOM 270 O ARG A 18 -15.146 7.025 9.241 1.00 0.00 O ATOM 271 CB ARG A 18 -15.255 7.292 6.214 1.00 0.00 C ATOM 272 CG ARG A 18 -16.197 6.153 6.606 1.00 0.00 C ATOM 273 CD ARG A 18 -17.295 5.964 5.582 1.00 0.00 C ATOM 274 NE ARG A 18 -18.311 5.016 6.050 1.00 0.00 N ATOM 275 CZ ARG A 18 -18.571 3.814 5.515 1.00 0.00 C ATOM 276 NH1 ARG A 18 -17.816 3.323 4.533 1.00 0.00 N ATOM 277 NH2 ARG A 18 -19.574 3.096 5.989 1.00 0.00 N ATOM 0 H ARG A 18 -13.590 5.470 7.430 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.467 8.340 6.737 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -15.821 8.223 6.212 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.916 7.123 5.192 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.629 5.228 6.707 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.639 6.364 7.580 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -17.764 6.925 5.368 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -16.864 5.605 4.647 1.00 0.00 H new ATOM 0 HE ARG A 18 -18.871 5.296 6.855 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.027 3.863 4.178 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -18.027 2.407 4.137 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -20.142 3.457 6.755 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -19.780 2.181 5.589 1.00 0.00 H new ATOM 291 N GLY A 19 -13.813 8.815 9.111 1.00 0.00 N ATOM 292 CA GLY A 19 -14.086 9.201 10.463 1.00 0.00 C ATOM 293 C GLY A 19 -13.312 8.358 11.439 1.00 0.00 C ATOM 294 O GLY A 19 -12.082 8.417 11.479 1.00 0.00 O ATOM 0 H GLY A 19 -13.147 9.413 8.622 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.829 10.251 10.603 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.153 9.105 10.662 1.00 0.00 H new ATOM 298 N LYS A 20 -14.016 7.539 12.184 1.00 0.00 N ATOM 299 CA LYS A 20 -13.396 6.712 13.191 1.00 0.00 C ATOM 300 C LYS A 20 -13.070 5.324 12.624 1.00 0.00 C ATOM 301 O LYS A 20 -12.314 4.555 13.215 1.00 0.00 O ATOM 302 CB LYS A 20 -14.303 6.616 14.429 1.00 0.00 C ATOM 303 CG LYS A 20 -13.679 5.889 15.604 1.00 0.00 C ATOM 304 CD LYS A 20 -14.578 5.902 16.816 1.00 0.00 C ATOM 305 CE LYS A 20 -13.928 5.200 17.997 1.00 0.00 C ATOM 306 NZ LYS A 20 -12.648 5.834 18.401 1.00 0.00 N ATOM 0 H LYS A 20 -15.027 7.428 12.110 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.456 7.171 13.497 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.577 7.623 14.744 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.226 6.107 14.150 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.466 4.858 15.321 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.726 6.355 15.854 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.811 6.932 17.087 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -15.522 5.414 16.576 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.616 5.206 18.843 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.748 4.156 17.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.374 5.493 19.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.906 5.587 17.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.765 6.867 18.427 1.00 0.00 H new ATOM 320 N THR A 21 -13.584 5.032 11.441 1.00 0.00 N ATOM 321 CA THR A 21 -13.348 3.738 10.791 1.00 0.00 C ATOM 322 C THR A 21 -11.992 3.745 10.070 1.00 0.00 C ATOM 323 O THR A 21 -11.801 3.077 9.062 1.00 0.00 O ATOM 324 CB THR A 21 -14.459 3.428 9.761 1.00 0.00 C ATOM 325 OG1 THR A 21 -14.521 4.469 8.780 1.00 0.00 O ATOM 326 CG2 THR A 21 -15.808 3.305 10.424 1.00 0.00 C ATOM 0 H THR A 21 -14.170 5.671 10.904 1.00 0.00 H new ATOM 0 HA THR A 21 -13.352 2.971 11.565 1.00 0.00 H new ATOM 0 HB THR A 21 -14.212 2.477 9.288 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.983 5.247 9.157 1.00 0.00 H new ATOM 0 HG21 THR A 21 -16.565 3.087 9.671 1.00 0.00 H new ATOM 0 HG22 THR A 21 -15.781 2.498 11.156 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.054 4.241 10.925 1.00 0.00 H new ATOM 334 N GLN A 22 -11.058 4.481 10.614 1.00 0.00 N ATOM 335 CA GLN A 22 -9.774 4.626 10.027 1.00 0.00 C ATOM 336 C GLN A 22 -8.932 3.452 10.419 1.00 0.00 C ATOM 337 O GLN A 22 -8.462 3.357 11.560 1.00 0.00 O ATOM 338 CB GLN A 22 -9.127 5.932 10.473 1.00 0.00 C ATOM 339 CG GLN A 22 -8.037 6.411 9.538 1.00 0.00 C ATOM 340 CD GLN A 22 -7.356 7.668 10.024 1.00 0.00 C ATOM 341 OE1 GLN A 22 -7.200 7.893 11.226 1.00 0.00 O ATOM 342 NE2 GLN A 22 -6.979 8.514 9.112 1.00 0.00 N ATOM 0 H GLN A 22 -11.180 4.997 11.485 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.866 4.659 8.941 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.895 6.702 10.549 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -8.708 5.800 11.470 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -7.293 5.623 9.421 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.465 6.594 8.552 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.122 8.298 8.125 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.540 9.394 9.383 1.00 0.00 H new ATOM 351 N LYS A 23 -8.782 2.538 9.507 1.00 0.00 N ATOM 352 CA LYS A 23 -7.991 1.381 9.749 1.00 0.00 C ATOM 353 C LYS A 23 -6.666 1.526 9.066 1.00 0.00 C ATOM 354 O LYS A 23 -6.588 1.898 7.878 1.00 0.00 O ATOM 355 CB LYS A 23 -8.694 0.030 9.380 1.00 0.00 C ATOM 356 CG LYS A 23 -9.266 -0.115 7.971 1.00 0.00 C ATOM 357 CD LYS A 23 -10.654 0.476 7.876 1.00 0.00 C ATOM 358 CE LYS A 23 -11.320 0.172 6.552 1.00 0.00 C ATOM 359 NZ LYS A 23 -10.644 0.808 5.396 1.00 0.00 N ATOM 0 H LYS A 23 -9.205 2.578 8.580 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.841 1.321 10.827 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.975 -0.774 9.534 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.506 -0.129 10.089 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.608 0.380 7.257 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.298 -1.169 7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.269 0.086 8.687 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.596 1.556 8.011 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.341 -0.908 6.403 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.356 0.509 6.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.317 0.902 4.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.298 1.750 5.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.841 0.219 5.096 1.00 0.00 H new ATOM 373 N ILE A 24 -5.634 1.317 9.828 1.00 0.00 N ATOM 374 CA ILE A 24 -4.298 1.412 9.342 1.00 0.00 C ATOM 375 C ILE A 24 -3.732 0.010 9.262 1.00 0.00 C ATOM 376 O ILE A 24 -3.589 -0.689 10.273 1.00 0.00 O ATOM 377 CB ILE A 24 -3.365 2.334 10.222 1.00 0.00 C ATOM 378 CG1 ILE A 24 -3.799 3.828 10.213 1.00 0.00 C ATOM 379 CG2 ILE A 24 -1.927 2.234 9.750 1.00 0.00 C ATOM 380 CD1 ILE A 24 -5.107 4.154 10.920 1.00 0.00 C ATOM 0 H ILE A 24 -5.702 1.073 10.816 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.329 1.886 8.361 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.457 1.970 11.245 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.006 4.418 10.672 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.880 4.155 9.176 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.296 2.875 10.366 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.587 1.202 9.834 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.862 2.553 8.710 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.303 5.224 10.847 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.922 3.603 10.451 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.034 3.870 11.970 1.00 0.00 H new ATOM 392 N TYR A 25 -3.457 -0.392 8.082 1.00 0.00 N ATOM 393 CA TYR A 25 -2.992 -1.714 7.780 1.00 0.00 C ATOM 394 C TYR A 25 -1.825 -1.657 6.832 1.00 0.00 C ATOM 395 O TYR A 25 -1.589 -0.640 6.213 1.00 0.00 O ATOM 396 CB TYR A 25 -4.140 -2.630 7.258 1.00 0.00 C ATOM 397 CG TYR A 25 -5.266 -1.977 6.412 1.00 0.00 C ATOM 398 CD1 TYR A 25 -5.082 -0.813 5.651 1.00 0.00 C ATOM 399 CD2 TYR A 25 -6.526 -2.553 6.400 1.00 0.00 C ATOM 400 CE1 TYR A 25 -6.126 -0.263 4.912 1.00 0.00 C ATOM 401 CE2 TYR A 25 -7.561 -2.012 5.671 1.00 0.00 C ATOM 402 CZ TYR A 25 -7.359 -0.870 4.929 1.00 0.00 C ATOM 403 OH TYR A 25 -8.414 -0.335 4.201 1.00 0.00 O ATOM 0 H TYR A 25 -3.549 0.203 7.259 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.642 -2.171 8.706 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.689 -3.422 6.660 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.605 -3.107 8.121 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.114 -0.335 5.638 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.701 -3.449 6.977 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.968 0.633 4.330 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.532 -2.484 5.681 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.337 -0.610 3.264 1.00 0.00 H new ATOM 413 N GLU A 26 -1.080 -2.718 6.736 1.00 0.00 N ATOM 414 CA GLU A 26 0.090 -2.726 5.889 1.00 0.00 C ATOM 415 C GLU A 26 -0.059 -3.679 4.722 1.00 0.00 C ATOM 416 O GLU A 26 -0.531 -4.825 4.881 1.00 0.00 O ATOM 417 CB GLU A 26 1.361 -2.955 6.706 1.00 0.00 C ATOM 418 CG GLU A 26 1.680 -1.770 7.597 1.00 0.00 C ATOM 419 CD GLU A 26 2.896 -1.946 8.448 1.00 0.00 C ATOM 420 OE1 GLU A 26 3.956 -2.341 7.920 1.00 0.00 O ATOM 421 OE2 GLU A 26 2.828 -1.609 9.649 1.00 0.00 O ATOM 0 H GLU A 26 -1.256 -3.592 7.231 1.00 0.00 H new ATOM 0 HA GLU A 26 0.188 -1.737 5.441 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.243 -3.849 7.319 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.198 -3.139 6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.814 -0.887 6.972 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.824 -1.576 8.244 1.00 0.00 H new ATOM 428 N ALA A 27 0.356 -3.220 3.565 1.00 0.00 N ATOM 429 CA ALA A 27 0.137 -3.920 2.322 1.00 0.00 C ATOM 430 C ALA A 27 1.347 -3.811 1.406 1.00 0.00 C ATOM 431 O ALA A 27 2.345 -3.221 1.767 1.00 0.00 O ATOM 432 CB ALA A 27 -1.107 -3.373 1.642 1.00 0.00 C ATOM 0 H ALA A 27 0.861 -2.340 3.459 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.011 -4.978 2.539 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.271 -3.902 0.703 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.969 -3.514 2.294 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.974 -2.310 1.440 1.00 0.00 H new ATOM 438 N SER A 28 1.251 -4.373 0.234 1.00 0.00 N ATOM 439 CA SER A 28 2.334 -4.351 -0.713 1.00 0.00 C ATOM 440 C SER A 28 1.790 -4.002 -2.077 1.00 0.00 C ATOM 441 O SER A 28 0.735 -4.526 -2.479 1.00 0.00 O ATOM 442 CB SER A 28 3.068 -5.688 -0.724 1.00 0.00 C ATOM 443 OG SER A 28 2.172 -6.773 -0.943 1.00 0.00 O ATOM 0 H SER A 28 0.418 -4.861 -0.094 1.00 0.00 H new ATOM 0 HA SER A 28 3.060 -3.592 -0.423 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.829 -5.680 -1.504 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.586 -5.828 0.225 1.00 0.00 H new ATOM 0 HG SER A 28 2.248 -7.414 -0.206 1.00 0.00 H new ATOM 449 N ILE A 29 2.451 -3.091 -2.745 1.00 0.00 N ATOM 450 CA ILE A 29 2.014 -2.585 -4.037 1.00 0.00 C ATOM 451 C ILE A 29 2.113 -3.663 -5.106 1.00 0.00 C ATOM 452 O ILE A 29 3.146 -4.348 -5.207 1.00 0.00 O ATOM 453 CB ILE A 29 2.891 -1.391 -4.500 1.00 0.00 C ATOM 454 CG1 ILE A 29 2.931 -0.242 -3.459 1.00 0.00 C ATOM 455 CG2 ILE A 29 2.421 -0.889 -5.860 1.00 0.00 C ATOM 456 CD1 ILE A 29 1.596 0.409 -3.146 1.00 0.00 C ATOM 0 H ILE A 29 3.318 -2.670 -2.410 1.00 0.00 H new ATOM 0 HA ILE A 29 0.979 -2.266 -3.912 1.00 0.00 H new ATOM 0 HB ILE A 29 3.914 -1.754 -4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.351 -0.631 -2.532 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.614 0.527 -3.820 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.044 -0.051 -6.174 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.499 -1.693 -6.592 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.383 -0.563 -5.789 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.740 1.198 -2.408 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.177 0.837 -4.057 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.911 -0.339 -2.748 1.00 0.00 H new ATOM 468 N LYS A 30 1.053 -3.834 -5.877 1.00 0.00 N ATOM 469 CA LYS A 30 1.108 -4.728 -6.995 1.00 0.00 C ATOM 470 C LYS A 30 1.278 -3.886 -8.272 1.00 0.00 C ATOM 471 O LYS A 30 2.275 -3.991 -8.961 1.00 0.00 O ATOM 472 CB LYS A 30 -0.154 -5.615 -7.081 1.00 0.00 C ATOM 473 CG LYS A 30 0.128 -7.055 -7.566 1.00 0.00 C ATOM 474 CD LYS A 30 0.706 -7.130 -8.982 1.00 0.00 C ATOM 475 CE LYS A 30 -0.343 -6.862 -10.056 1.00 0.00 C ATOM 476 NZ LYS A 30 -1.362 -7.926 -10.113 1.00 0.00 N ATOM 0 H LYS A 30 0.157 -3.366 -5.743 1.00 0.00 H new ATOM 0 HA LYS A 30 1.953 -5.406 -6.876 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.624 -5.658 -6.099 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.870 -5.148 -7.757 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.823 -7.531 -6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.799 -7.628 -7.531 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.515 -6.406 -9.080 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.141 -8.117 -9.142 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.828 -5.906 -9.858 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.146 -6.776 -11.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.898 -7.846 -11.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.896 -8.855 -10.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.011 -7.829 -9.306 1.00 0.00 H new ATOM 490 N SER A 31 0.325 -3.026 -8.551 1.00 0.00 N ATOM 491 CA SER A 31 0.377 -2.186 -9.739 1.00 0.00 C ATOM 492 C SER A 31 -0.298 -0.859 -9.451 1.00 0.00 C ATOM 493 O SER A 31 -1.033 -0.743 -8.456 1.00 0.00 O ATOM 494 CB SER A 31 -0.316 -2.883 -10.917 1.00 0.00 C ATOM 495 OG SER A 31 0.299 -4.129 -11.208 1.00 0.00 O ATOM 0 H SER A 31 -0.502 -2.885 -7.971 1.00 0.00 H new ATOM 0 HA SER A 31 1.419 -2.011 -10.005 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.369 -3.040 -10.682 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.278 -2.241 -11.797 1.00 0.00 H new ATOM 0 HG SER A 31 1.235 -3.981 -11.456 1.00 0.00 H new ATOM 501 N THR A 32 -0.069 0.121 -10.307 1.00 0.00 N ATOM 502 CA THR A 32 -0.645 1.433 -10.129 1.00 0.00 C ATOM 503 C THR A 32 -1.217 1.917 -11.455 1.00 0.00 C ATOM 504 O THR A 32 -0.742 1.499 -12.525 1.00 0.00 O ATOM 505 CB THR A 32 0.438 2.434 -9.724 1.00 0.00 C ATOM 506 OG1 THR A 32 1.384 1.819 -8.834 1.00 0.00 O ATOM 507 CG2 THR A 32 -0.197 3.585 -9.022 1.00 0.00 C ATOM 0 H THR A 32 0.517 0.027 -11.137 1.00 0.00 H new ATOM 0 HA THR A 32 -1.416 1.366 -9.361 1.00 0.00 H new ATOM 0 HB THR A 32 0.956 2.771 -10.622 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.249 2.162 -7.926 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.571 4.302 -8.731 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.911 4.069 -9.688 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.716 3.227 -8.132 1.00 0.00 H new ATOM 515 N GLU A 33 -2.222 2.754 -11.396 1.00 0.00 N ATOM 516 CA GLU A 33 -2.752 3.400 -12.563 1.00 0.00 C ATOM 517 C GLU A 33 -3.384 4.708 -12.190 1.00 0.00 C ATOM 518 O GLU A 33 -3.609 4.976 -11.032 1.00 0.00 O ATOM 519 CB GLU A 33 -3.731 2.542 -13.308 1.00 0.00 C ATOM 520 CG GLU A 33 -5.044 2.254 -12.612 1.00 0.00 C ATOM 521 CD GLU A 33 -5.999 1.526 -13.525 1.00 0.00 C ATOM 522 OE1 GLU A 33 -5.793 0.321 -13.796 1.00 0.00 O ATOM 523 OE2 GLU A 33 -6.963 2.146 -14.015 1.00 0.00 O ATOM 0 H GLU A 33 -2.697 3.006 -10.529 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.913 3.579 -13.236 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.949 3.023 -14.262 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.249 1.591 -13.533 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.862 1.655 -11.720 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.495 3.189 -12.281 1.00 0.00 H new ATOM 530 N ILE A 34 -3.643 5.525 -13.162 1.00 0.00 N ATOM 531 CA ILE A 34 -4.217 6.817 -12.923 1.00 0.00 C ATOM 532 C ILE A 34 -5.628 6.826 -13.463 1.00 0.00 C ATOM 533 O ILE A 34 -5.871 6.382 -14.594 1.00 0.00 O ATOM 534 CB ILE A 34 -3.382 7.984 -13.582 1.00 0.00 C ATOM 535 CG1 ILE A 34 -1.980 8.147 -12.951 1.00 0.00 C ATOM 536 CG2 ILE A 34 -4.129 9.318 -13.509 1.00 0.00 C ATOM 537 CD1 ILE A 34 -1.028 6.982 -13.125 1.00 0.00 C ATOM 0 H ILE A 34 -3.464 5.318 -14.144 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.212 6.995 -11.848 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.250 7.700 -14.626 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.514 9.036 -13.376 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.104 8.331 -11.884 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.525 10.099 -13.972 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.079 9.233 -14.037 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.316 9.574 -12.466 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.079 7.212 -12.641 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.459 6.089 -12.672 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.860 6.805 -14.187 1.00 0.00 H new ATOM 549 N ASP A 35 -6.541 7.285 -12.664 1.00 0.00 N ATOM 550 CA ASP A 35 -7.934 7.385 -13.055 1.00 0.00 C ATOM 551 C ASP A 35 -8.506 8.712 -12.621 1.00 0.00 C ATOM 552 O ASP A 35 -8.529 9.028 -11.432 1.00 0.00 O ATOM 553 CB ASP A 35 -8.786 6.241 -12.490 1.00 0.00 C ATOM 554 CG ASP A 35 -10.262 6.410 -12.824 1.00 0.00 C ATOM 555 OD1 ASP A 35 -10.663 6.171 -13.975 1.00 0.00 O ATOM 556 OD2 ASP A 35 -11.052 6.790 -11.941 1.00 0.00 O ATOM 0 H ASP A 35 -6.351 7.606 -11.714 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.965 7.309 -14.142 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.430 5.292 -12.891 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.662 6.197 -11.408 1.00 0.00 H new ATOM 561 N ASP A 36 -8.883 9.504 -13.599 1.00 0.00 N ATOM 562 CA ASP A 36 -9.550 10.811 -13.429 1.00 0.00 C ATOM 563 C ASP A 36 -8.642 11.821 -12.708 1.00 0.00 C ATOM 564 O ASP A 36 -9.095 12.805 -12.137 1.00 0.00 O ATOM 565 CB ASP A 36 -10.898 10.636 -12.706 1.00 0.00 C ATOM 566 CG ASP A 36 -11.810 11.839 -12.844 1.00 0.00 C ATOM 567 OD1 ASP A 36 -12.375 12.042 -13.950 1.00 0.00 O ATOM 568 OD2 ASP A 36 -12.025 12.561 -11.856 1.00 0.00 O ATOM 0 H ASP A 36 -8.736 9.262 -14.579 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.750 11.222 -14.419 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.405 9.757 -13.103 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.714 10.447 -11.648 1.00 0.00 H new ATOM 573 N GLY A 37 -7.357 11.596 -12.782 1.00 0.00 N ATOM 574 CA GLY A 37 -6.423 12.516 -12.180 1.00 0.00 C ATOM 575 C GLY A 37 -5.855 12.023 -10.865 1.00 0.00 C ATOM 576 O GLY A 37 -4.909 12.618 -10.334 1.00 0.00 O ATOM 0 H GLY A 37 -6.934 10.793 -13.248 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.604 12.698 -12.876 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.920 13.472 -12.017 1.00 0.00 H new ATOM 580 N GLU A 38 -6.407 10.962 -10.320 1.00 0.00 N ATOM 581 CA GLU A 38 -5.874 10.413 -9.094 1.00 0.00 C ATOM 582 C GLU A 38 -5.171 9.103 -9.388 1.00 0.00 C ATOM 583 O GLU A 38 -5.550 8.379 -10.321 1.00 0.00 O ATOM 584 CB GLU A 38 -6.942 10.285 -7.971 1.00 0.00 C ATOM 585 CG GLU A 38 -8.148 9.413 -8.290 1.00 0.00 C ATOM 586 CD GLU A 38 -9.157 9.352 -7.146 1.00 0.00 C ATOM 587 OE1 GLU A 38 -10.003 10.257 -7.023 1.00 0.00 O ATOM 588 OE2 GLU A 38 -9.128 8.402 -6.347 1.00 0.00 O ATOM 0 H GLU A 38 -7.214 10.468 -10.700 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.141 11.115 -8.697 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.457 9.887 -7.080 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.298 11.284 -7.720 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.642 9.797 -9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.809 8.404 -8.523 1.00 0.00 H new ATOM 595 N VAL A 39 -4.135 8.826 -8.641 1.00 0.00 N ATOM 596 CA VAL A 39 -3.325 7.654 -8.872 1.00 0.00 C ATOM 597 C VAL A 39 -3.761 6.578 -7.911 1.00 0.00 C ATOM 598 O VAL A 39 -3.687 6.749 -6.682 1.00 0.00 O ATOM 599 CB VAL A 39 -1.815 7.935 -8.675 1.00 0.00 C ATOM 600 CG1 VAL A 39 -0.967 6.818 -9.268 1.00 0.00 C ATOM 601 CG2 VAL A 39 -1.420 9.286 -9.249 1.00 0.00 C ATOM 0 H VAL A 39 -3.828 9.402 -7.858 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.464 7.341 -9.907 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.625 7.967 -7.602 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.089 7.042 -9.115 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.213 5.876 -8.778 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.169 6.735 -10.336 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.354 9.450 -9.093 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.638 9.305 -10.317 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.985 10.073 -8.749 1.00 0.00 H new ATOM 611 N LEU A 40 -4.229 5.508 -8.463 1.00 0.00 N ATOM 612 CA LEU A 40 -4.748 4.421 -7.719 1.00 0.00 C ATOM 613 C LEU A 40 -3.824 3.246 -7.789 1.00 0.00 C ATOM 614 O LEU A 40 -3.384 2.831 -8.865 1.00 0.00 O ATOM 615 CB LEU A 40 -6.134 4.046 -8.228 1.00 0.00 C ATOM 616 CG LEU A 40 -7.187 5.143 -8.117 1.00 0.00 C ATOM 617 CD1 LEU A 40 -8.514 4.667 -8.673 1.00 0.00 C ATOM 618 CD2 LEU A 40 -7.332 5.592 -6.669 1.00 0.00 C ATOM 0 H LEU A 40 -4.259 5.367 -9.473 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.833 4.724 -6.676 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.051 3.749 -9.273 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.482 3.173 -7.675 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.862 5.999 -8.709 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.252 5.464 -8.585 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.393 4.399 -9.723 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.852 3.796 -8.112 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.087 6.375 -6.605 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.635 4.745 -6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.378 5.978 -6.310 1.00 0.00 H new ATOM 630 N TYR A 41 -3.541 2.734 -6.654 1.00 0.00 N ATOM 631 CA TYR A 41 -2.676 1.615 -6.473 1.00 0.00 C ATOM 632 C TYR A 41 -3.491 0.434 -6.091 1.00 0.00 C ATOM 633 O TYR A 41 -4.509 0.574 -5.424 1.00 0.00 O ATOM 634 CB TYR A 41 -1.691 1.876 -5.326 1.00 0.00 C ATOM 635 CG TYR A 41 -0.657 2.926 -5.593 1.00 0.00 C ATOM 636 CD1 TYR A 41 -0.979 4.273 -5.622 1.00 0.00 C ATOM 637 CD2 TYR A 41 0.651 2.566 -5.816 1.00 0.00 C ATOM 638 CE1 TYR A 41 -0.017 5.219 -5.871 1.00 0.00 C ATOM 639 CE2 TYR A 41 1.614 3.502 -6.058 1.00 0.00 C ATOM 640 CZ TYR A 41 1.280 4.829 -6.087 1.00 0.00 C ATOM 641 OH TYR A 41 2.252 5.767 -6.337 1.00 0.00 O ATOM 0 H TYR A 41 -3.920 3.095 -5.778 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.132 1.446 -7.403 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.258 2.166 -4.441 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.182 0.942 -5.087 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.999 4.582 -5.447 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.922 1.521 -5.799 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.280 6.266 -5.897 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.636 3.197 -6.226 1.00 0.00 H new ATOM 0 HH TYR A 41 3.136 5.358 -6.231 1.00 0.00 H new ATOM 651 N LEU A 42 -3.053 -0.705 -6.494 1.00 0.00 N ATOM 652 CA LEU A 42 -3.662 -1.920 -6.086 1.00 0.00 C ATOM 653 C LEU A 42 -2.719 -2.558 -5.126 1.00 0.00 C ATOM 654 O LEU A 42 -1.597 -2.950 -5.500 1.00 0.00 O ATOM 655 CB LEU A 42 -3.918 -2.850 -7.266 1.00 0.00 C ATOM 656 CG LEU A 42 -4.486 -4.228 -6.904 1.00 0.00 C ATOM 657 CD1 LEU A 42 -5.827 -4.101 -6.193 1.00 0.00 C ATOM 658 CD2 LEU A 42 -4.611 -5.088 -8.139 1.00 0.00 C ATOM 0 H LEU A 42 -2.256 -0.821 -7.120 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.633 -1.722 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.609 -2.359 -7.951 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.982 -2.992 -7.805 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.792 -4.711 -6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.205 -5.094 -5.949 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.700 -3.526 -5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.538 -3.592 -6.845 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.015 -6.062 -7.865 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.279 -4.606 -8.852 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.629 -5.218 -8.593 1.00 0.00 H new ATOM 670 N VAL A 43 -3.127 -2.637 -3.908 1.00 0.00 N ATOM 671 CA VAL A 43 -2.262 -3.106 -2.890 1.00 0.00 C ATOM 672 C VAL A 43 -2.847 -4.377 -2.270 1.00 0.00 C ATOM 673 O VAL A 43 -4.085 -4.567 -2.233 1.00 0.00 O ATOM 674 CB VAL A 43 -2.049 -1.985 -1.831 1.00 0.00 C ATOM 675 CG1 VAL A 43 -3.133 -1.847 -0.787 1.00 0.00 C ATOM 676 CG2 VAL A 43 -0.646 -1.919 -1.310 1.00 0.00 C ATOM 0 H VAL A 43 -4.063 -2.380 -3.593 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.287 -3.357 -3.307 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.179 -1.062 -2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.879 -1.037 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.082 -1.626 -1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.221 -2.779 -0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.568 -1.117 -0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.388 -2.868 -0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.040 -1.725 -2.135 1.00 0.00 H new ATOM 686 N HIS A 44 -1.979 -5.269 -1.855 1.00 0.00 N ATOM 687 CA HIS A 44 -2.405 -6.507 -1.222 1.00 0.00 C ATOM 688 C HIS A 44 -1.880 -6.563 0.172 1.00 0.00 C ATOM 689 O HIS A 44 -0.674 -6.402 0.405 1.00 0.00 O ATOM 690 CB HIS A 44 -1.981 -7.742 -2.015 1.00 0.00 C ATOM 691 CG HIS A 44 -2.660 -7.848 -3.335 1.00 0.00 C ATOM 692 ND1 HIS A 44 -1.997 -7.824 -4.528 1.00 0.00 N ATOM 693 CD2 HIS A 44 -3.962 -7.955 -3.638 1.00 0.00 C ATOM 694 CE1 HIS A 44 -2.860 -7.907 -5.507 1.00 0.00 C ATOM 695 NE2 HIS A 44 -4.057 -7.987 -4.990 1.00 0.00 N ATOM 0 H HIS A 44 -0.968 -5.165 -1.942 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.495 -6.513 -1.199 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.902 -7.715 -2.169 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.197 -8.635 -1.429 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.781 -8.006 -2.936 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -2.624 -7.909 -6.561 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -4.926 -8.062 -5.520 1.00 0.00 H new ATOM 704 N TYR A 45 -2.784 -6.767 1.089 1.00 0.00 N ATOM 705 CA TYR A 45 -2.505 -6.712 2.498 1.00 0.00 C ATOM 706 C TYR A 45 -1.940 -8.004 2.998 1.00 0.00 C ATOM 707 O TYR A 45 -2.649 -8.990 3.134 1.00 0.00 O ATOM 708 CB TYR A 45 -3.776 -6.331 3.274 1.00 0.00 C ATOM 709 CG TYR A 45 -4.326 -4.987 2.860 1.00 0.00 C ATOM 710 CD1 TYR A 45 -3.878 -3.836 3.460 1.00 0.00 C ATOM 711 CD2 TYR A 45 -5.263 -4.873 1.840 1.00 0.00 C ATOM 712 CE1 TYR A 45 -4.336 -2.605 3.062 1.00 0.00 C ATOM 713 CE2 TYR A 45 -5.738 -3.639 1.441 1.00 0.00 C ATOM 714 CZ TYR A 45 -5.263 -2.505 2.060 1.00 0.00 C ATOM 715 OH TYR A 45 -5.692 -1.261 1.664 1.00 0.00 O ATOM 0 H TYR A 45 -3.758 -6.981 0.873 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.749 -5.944 2.664 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.537 -7.095 3.116 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.555 -6.316 4.341 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.153 -3.900 4.258 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.626 -5.765 1.351 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.964 -1.712 3.541 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.473 -3.565 0.653 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.637 -1.151 1.899 1.00 0.00 H new ATOM 725 N TYR A 46 -0.659 -7.998 3.237 1.00 0.00 N ATOM 726 CA TYR A 46 0.024 -9.147 3.773 1.00 0.00 C ATOM 727 C TYR A 46 -0.250 -9.289 5.252 1.00 0.00 C ATOM 728 O TYR A 46 0.458 -8.724 6.096 1.00 0.00 O ATOM 729 CB TYR A 46 1.529 -9.089 3.489 1.00 0.00 C ATOM 730 CG TYR A 46 1.939 -9.621 2.131 1.00 0.00 C ATOM 731 CD1 TYR A 46 1.143 -9.450 1.000 1.00 0.00 C ATOM 732 CD2 TYR A 46 3.120 -10.325 1.995 1.00 0.00 C ATOM 733 CE1 TYR A 46 1.527 -9.966 -0.222 1.00 0.00 C ATOM 734 CE2 TYR A 46 3.508 -10.845 0.786 1.00 0.00 C ATOM 735 CZ TYR A 46 2.712 -10.664 -0.322 1.00 0.00 C ATOM 736 OH TYR A 46 3.100 -11.198 -1.535 1.00 0.00 O ATOM 0 H TYR A 46 -0.055 -7.194 3.066 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.365 -10.032 3.270 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.861 -8.054 3.574 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.052 -9.656 4.259 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.213 -8.907 1.080 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.752 -10.469 2.859 1.00 0.00 H new ATOM 0 HE1 TYR A 46 0.904 -9.824 -1.093 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.434 -11.394 0.704 1.00 0.00 H new ATOM 0 HH TYR A 46 3.959 -11.657 -1.430 1.00 0.00 H new ATOM 746 N GLY A 47 -1.314 -9.958 5.547 1.00 0.00 N ATOM 747 CA GLY A 47 -1.700 -10.209 6.893 1.00 0.00 C ATOM 748 C GLY A 47 -2.451 -11.494 6.967 1.00 0.00 C ATOM 749 O GLY A 47 -1.933 -12.533 6.575 1.00 0.00 O ATOM 0 H GLY A 47 -1.947 -10.350 4.850 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.818 -10.254 7.532 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.320 -9.392 7.262 1.00 0.00 H new ATOM 753 N TRP A 48 -3.666 -11.442 7.421 1.00 0.00 N ATOM 754 CA TRP A 48 -4.466 -12.640 7.506 1.00 0.00 C ATOM 755 C TRP A 48 -5.251 -12.831 6.236 1.00 0.00 C ATOM 756 O TRP A 48 -5.366 -13.939 5.725 1.00 0.00 O ATOM 757 CB TRP A 48 -5.373 -12.611 8.731 1.00 0.00 C ATOM 758 CG TRP A 48 -4.592 -12.490 9.995 1.00 0.00 C ATOM 759 CD1 TRP A 48 -4.502 -11.400 10.799 1.00 0.00 C ATOM 760 CD2 TRP A 48 -3.744 -13.488 10.575 1.00 0.00 C ATOM 761 NE1 TRP A 48 -3.669 -11.663 11.853 1.00 0.00 N ATOM 762 CE2 TRP A 48 -3.190 -12.936 11.740 1.00 0.00 C ATOM 763 CE3 TRP A 48 -3.411 -14.798 10.225 1.00 0.00 C ATOM 764 CZ2 TRP A 48 -2.314 -13.645 12.560 1.00 0.00 C ATOM 765 CZ3 TRP A 48 -2.543 -15.500 11.034 1.00 0.00 C ATOM 766 CH2 TRP A 48 -2.002 -14.923 12.191 1.00 0.00 C ATOM 0 H TRP A 48 -4.130 -10.591 7.739 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.800 -13.495 7.623 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.066 -11.774 8.650 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.974 -13.520 8.760 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.012 -10.463 10.632 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -3.442 -11.011 12.604 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.826 -15.253 9.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.898 -13.201 13.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.275 -16.513 10.771 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.325 -15.500 12.803 1.00 0.00 H new ATOM 777 N ASN A 49 -5.759 -11.752 5.709 1.00 0.00 N ATOM 778 CA ASN A 49 -6.497 -11.800 4.475 1.00 0.00 C ATOM 779 C ASN A 49 -5.848 -10.879 3.473 1.00 0.00 C ATOM 780 O ASN A 49 -5.822 -9.660 3.651 1.00 0.00 O ATOM 781 CB ASN A 49 -7.974 -11.437 4.682 1.00 0.00 C ATOM 782 CG ASN A 49 -8.772 -11.453 3.380 1.00 0.00 C ATOM 783 OD1 ASN A 49 -8.461 -12.201 2.449 1.00 0.00 O ATOM 784 ND2 ASN A 49 -9.808 -10.663 3.318 1.00 0.00 N ATOM 0 H ASN A 49 -5.675 -10.821 6.118 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.475 -12.821 4.095 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.421 -12.139 5.386 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.041 -10.447 5.132 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.390 -10.651 2.481 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.036 -10.058 4.107 1.00 0.00 H new ATOM 791 N VAL A 50 -5.297 -11.459 2.455 1.00 0.00 N ATOM 792 CA VAL A 50 -4.613 -10.724 1.413 1.00 0.00 C ATOM 793 C VAL A 50 -5.621 -10.324 0.328 1.00 0.00 C ATOM 794 O VAL A 50 -5.473 -9.280 -0.343 1.00 0.00 O ATOM 795 CB VAL A 50 -3.477 -11.598 0.795 1.00 0.00 C ATOM 796 CG1 VAL A 50 -2.652 -10.819 -0.216 1.00 0.00 C ATOM 797 CG2 VAL A 50 -2.582 -12.168 1.889 1.00 0.00 C ATOM 0 H VAL A 50 -5.304 -12.469 2.312 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.166 -9.826 1.839 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.952 -12.423 0.265 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.872 -11.463 -0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.297 -10.475 -1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.194 -9.959 0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.797 -12.774 1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.131 -11.351 2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.177 -12.787 2.560 1.00 0.00 H new ATOM 807 N ARG A 51 -6.713 -11.092 0.264 1.00 0.00 N ATOM 808 CA ARG A 51 -7.744 -10.972 -0.771 1.00 0.00 C ATOM 809 C ARG A 51 -8.639 -9.738 -0.651 1.00 0.00 C ATOM 810 O ARG A 51 -9.645 -9.645 -1.355 1.00 0.00 O ATOM 811 CB ARG A 51 -8.584 -12.255 -0.868 1.00 0.00 C ATOM 812 CG ARG A 51 -7.832 -13.450 -1.443 1.00 0.00 C ATOM 813 CD ARG A 51 -7.441 -13.201 -2.897 1.00 0.00 C ATOM 814 NE ARG A 51 -6.657 -14.300 -3.463 1.00 0.00 N ATOM 815 CZ ARG A 51 -5.976 -14.244 -4.615 1.00 0.00 C ATOM 816 NH1 ARG A 51 -6.025 -13.155 -5.374 1.00 0.00 N ATOM 817 NH2 ARG A 51 -5.260 -15.284 -5.006 1.00 0.00 N ATOM 0 H ARG A 51 -6.909 -11.828 0.943 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.192 -10.831 -1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.949 -12.513 0.126 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.459 -12.058 -1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.938 -13.641 -0.850 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.455 -14.342 -1.378 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.342 -13.058 -3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.866 -12.277 -2.962 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.627 -15.175 -2.940 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.584 -12.354 -5.081 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.504 -13.120 -6.250 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.227 -16.126 -4.431 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.740 -15.245 -5.883 1.00 0.00 H new ATOM 831 N TYR A 52 -8.283 -8.786 0.214 1.00 0.00 N ATOM 832 CA TYR A 52 -9.018 -7.519 0.268 1.00 0.00 C ATOM 833 C TYR A 52 -8.944 -6.824 -1.081 1.00 0.00 C ATOM 834 O TYR A 52 -9.938 -6.253 -1.528 1.00 0.00 O ATOM 835 CB TYR A 52 -8.512 -6.578 1.367 1.00 0.00 C ATOM 836 CG TYR A 52 -8.955 -6.933 2.764 1.00 0.00 C ATOM 837 CD1 TYR A 52 -10.260 -6.694 3.170 1.00 0.00 C ATOM 838 CD2 TYR A 52 -8.078 -7.493 3.679 1.00 0.00 C ATOM 839 CE1 TYR A 52 -10.679 -7.001 4.445 1.00 0.00 C ATOM 840 CE2 TYR A 52 -8.491 -7.803 4.959 1.00 0.00 C ATOM 841 CZ TYR A 52 -9.791 -7.556 5.334 1.00 0.00 C ATOM 842 OH TYR A 52 -10.204 -7.863 6.605 1.00 0.00 O ATOM 0 H TYR A 52 -7.508 -8.863 0.873 1.00 0.00 H new ATOM 0 HA TYR A 52 -10.052 -7.762 0.512 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.422 -6.565 1.340 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -8.849 -5.566 1.141 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -10.960 -6.259 2.473 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.057 -7.690 3.387 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -11.698 -6.807 4.744 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.797 -8.238 5.663 1.00 0.00 H new ATOM 0 HH TYR A 52 -9.456 -8.249 7.108 1.00 0.00 H new ATOM 852 N ASP A 53 -7.742 -6.916 -1.715 1.00 0.00 N ATOM 853 CA ASP A 53 -7.456 -6.388 -3.080 1.00 0.00 C ATOM 854 C ASP A 53 -8.017 -4.974 -3.234 1.00 0.00 C ATOM 855 O ASP A 53 -9.124 -4.773 -3.755 1.00 0.00 O ATOM 856 CB ASP A 53 -8.042 -7.355 -4.132 1.00 0.00 C ATOM 857 CG ASP A 53 -7.590 -7.101 -5.549 1.00 0.00 C ATOM 858 OD1 ASP A 53 -6.449 -7.480 -5.882 1.00 0.00 O ATOM 859 OD2 ASP A 53 -8.384 -6.623 -6.375 1.00 0.00 O ATOM 0 H ASP A 53 -6.933 -7.365 -1.286 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.379 -6.324 -3.233 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.772 -8.375 -3.857 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.130 -7.292 -4.096 1.00 0.00 H new ATOM 864 N GLU A 54 -7.289 -3.998 -2.749 1.00 0.00 N ATOM 865 CA GLU A 54 -7.864 -2.677 -2.618 1.00 0.00 C ATOM 866 C GLU A 54 -7.109 -1.643 -3.405 1.00 0.00 C ATOM 867 O GLU A 54 -5.872 -1.709 -3.540 1.00 0.00 O ATOM 868 CB GLU A 54 -7.971 -2.324 -1.126 1.00 0.00 C ATOM 869 CG GLU A 54 -8.807 -1.106 -0.773 1.00 0.00 C ATOM 870 CD GLU A 54 -9.123 -1.066 0.712 1.00 0.00 C ATOM 871 OE1 GLU A 54 -8.263 -0.662 1.522 1.00 0.00 O ATOM 872 OE2 GLU A 54 -10.244 -1.487 1.102 1.00 0.00 O ATOM 0 H GLU A 54 -6.320 -4.086 -2.444 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.866 -2.683 -3.048 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.385 -3.185 -0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.964 -2.169 -0.740 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.272 -0.200 -1.058 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.735 -1.121 -1.344 1.00 0.00 H new ATOM 879 N TRP A 55 -7.876 -0.728 -3.959 1.00 0.00 N ATOM 880 CA TRP A 55 -7.384 0.354 -4.751 1.00 0.00 C ATOM 881 C TRP A 55 -7.386 1.616 -3.929 1.00 0.00 C ATOM 882 O TRP A 55 -8.443 2.200 -3.643 1.00 0.00 O ATOM 883 CB TRP A 55 -8.238 0.518 -5.997 1.00 0.00 C ATOM 884 CG TRP A 55 -8.158 -0.658 -6.911 1.00 0.00 C ATOM 885 CD1 TRP A 55 -8.824 -1.853 -6.794 1.00 0.00 C ATOM 886 CD2 TRP A 55 -7.351 -0.755 -8.078 1.00 0.00 C ATOM 887 NE1 TRP A 55 -8.485 -2.674 -7.849 1.00 0.00 N ATOM 888 CE2 TRP A 55 -7.576 -2.020 -8.645 1.00 0.00 C ATOM 889 CE3 TRP A 55 -6.459 0.116 -8.699 1.00 0.00 C ATOM 890 CZ2 TRP A 55 -6.938 -2.432 -9.811 1.00 0.00 C ATOM 891 CZ3 TRP A 55 -5.828 -0.292 -9.846 1.00 0.00 C ATOM 892 CH2 TRP A 55 -6.068 -1.550 -10.392 1.00 0.00 C ATOM 0 H TRP A 55 -8.891 -0.726 -3.861 1.00 0.00 H new ATOM 0 HA TRP A 55 -6.362 0.142 -5.066 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -9.276 0.674 -5.703 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -7.921 1.412 -6.534 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -9.508 -2.110 -5.999 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.849 -3.613 -8.012 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.268 1.095 -8.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.122 -3.406 -10.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.132 0.374 -10.335 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.554 -1.837 -11.298 1.00 0.00 H new ATOM 903 N VAL A 56 -6.230 2.021 -3.545 1.00 0.00 N ATOM 904 CA VAL A 56 -6.054 3.130 -2.656 1.00 0.00 C ATOM 905 C VAL A 56 -5.160 4.215 -3.290 1.00 0.00 C ATOM 906 O VAL A 56 -4.306 3.911 -4.121 1.00 0.00 O ATOM 907 CB VAL A 56 -5.500 2.614 -1.280 1.00 0.00 C ATOM 908 CG1 VAL A 56 -4.277 1.726 -1.458 1.00 0.00 C ATOM 909 CG2 VAL A 56 -5.206 3.745 -0.317 1.00 0.00 C ATOM 0 H VAL A 56 -5.356 1.587 -3.842 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.017 3.605 -2.471 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.293 2.009 -0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.926 1.391 -0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.541 0.860 -2.066 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.487 2.290 -1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.826 3.336 0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.460 4.409 -0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.121 4.305 -0.123 1.00 0.00 H new ATOM 919 N LYS A 57 -5.425 5.478 -2.941 1.00 0.00 N ATOM 920 CA LYS A 57 -4.655 6.610 -3.438 1.00 0.00 C ATOM 921 C LYS A 57 -3.274 6.706 -2.816 1.00 0.00 C ATOM 922 O LYS A 57 -3.046 6.229 -1.715 1.00 0.00 O ATOM 923 CB LYS A 57 -5.409 7.923 -3.244 1.00 0.00 C ATOM 924 CG LYS A 57 -6.330 8.258 -4.386 1.00 0.00 C ATOM 925 CD LYS A 57 -7.008 9.614 -4.213 1.00 0.00 C ATOM 926 CE LYS A 57 -8.173 9.585 -3.231 1.00 0.00 C ATOM 927 NZ LYS A 57 -9.253 8.677 -3.688 1.00 0.00 N ATOM 0 H LYS A 57 -6.180 5.738 -2.306 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.518 6.432 -4.505 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.990 7.867 -2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.689 8.732 -3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.764 8.255 -5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.092 7.483 -4.473 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.271 10.340 -3.870 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.368 9.959 -5.182 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.816 9.263 -2.253 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.572 10.592 -3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.129 8.891 -3.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.412 8.812 -4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.977 7.691 -3.508 1.00 0.00 H new ATOM 941 N ALA A 58 -2.391 7.395 -3.513 1.00 0.00 N ATOM 942 CA ALA A 58 -0.985 7.546 -3.136 1.00 0.00 C ATOM 943 C ALA A 58 -0.799 8.236 -1.795 1.00 0.00 C ATOM 944 O ALA A 58 0.065 7.860 -0.999 1.00 0.00 O ATOM 945 CB ALA A 58 -0.252 8.328 -4.201 1.00 0.00 C ATOM 0 H ALA A 58 -2.630 7.879 -4.378 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.576 6.540 -3.043 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.794 8.438 -3.916 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.316 7.797 -5.151 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.705 9.314 -4.305 1.00 0.00 H new ATOM 951 N ASP A 59 -1.604 9.241 -1.548 1.00 0.00 N ATOM 952 CA ASP A 59 -1.509 10.027 -0.313 1.00 0.00 C ATOM 953 C ASP A 59 -2.299 9.386 0.793 1.00 0.00 C ATOM 954 O ASP A 59 -2.321 9.861 1.929 1.00 0.00 O ATOM 955 CB ASP A 59 -1.965 11.475 -0.524 1.00 0.00 C ATOM 956 CG ASP A 59 -1.089 12.225 -1.496 1.00 0.00 C ATOM 957 OD1 ASP A 59 -0.051 12.785 -1.072 1.00 0.00 O ATOM 958 OD2 ASP A 59 -1.425 12.260 -2.711 1.00 0.00 O ATOM 0 H ASP A 59 -2.342 9.546 -2.183 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.458 10.048 -0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.992 11.479 -0.889 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.966 11.995 0.434 1.00 0.00 H new ATOM 963 N ARG A 60 -2.950 8.308 0.456 1.00 0.00 N ATOM 964 CA ARG A 60 -3.744 7.536 1.387 1.00 0.00 C ATOM 965 C ARG A 60 -2.905 6.365 1.907 1.00 0.00 C ATOM 966 O ARG A 60 -3.368 5.511 2.667 1.00 0.00 O ATOM 967 CB ARG A 60 -5.000 7.073 0.653 1.00 0.00 C ATOM 968 CG ARG A 60 -6.280 7.669 1.185 1.00 0.00 C ATOM 969 CD ARG A 60 -6.794 6.851 2.342 1.00 0.00 C ATOM 970 NE ARG A 60 -7.880 7.495 3.102 1.00 0.00 N ATOM 971 CZ ARG A 60 -9.114 7.790 2.653 1.00 0.00 C ATOM 972 NH1 ARG A 60 -9.437 7.593 1.371 1.00 0.00 N ATOM 973 NH2 ARG A 60 -10.013 8.297 3.495 1.00 0.00 N ATOM 0 H ARG A 60 -2.947 7.929 -0.491 1.00 0.00 H new ATOM 0 HA ARG A 60 -4.046 8.125 2.253 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.905 7.327 -0.403 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -5.064 5.987 0.715 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.106 8.696 1.505 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.029 7.705 0.394 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.149 5.892 1.965 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.967 6.641 3.020 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.675 7.743 4.070 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.745 7.216 0.723 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.375 7.820 1.041 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -9.764 8.459 4.471 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -10.951 8.524 3.164 1.00 0.00 H new ATOM 987 N ILE A 61 -1.662 6.381 1.507 1.00 0.00 N ATOM 988 CA ILE A 61 -0.687 5.402 1.845 1.00 0.00 C ATOM 989 C ILE A 61 0.458 6.128 2.577 1.00 0.00 C ATOM 990 O ILE A 61 0.665 7.335 2.370 1.00 0.00 O ATOM 991 CB ILE A 61 -0.138 4.740 0.525 1.00 0.00 C ATOM 992 CG1 ILE A 61 -1.271 4.057 -0.260 1.00 0.00 C ATOM 993 CG2 ILE A 61 0.972 3.753 0.807 1.00 0.00 C ATOM 994 CD1 ILE A 61 -0.831 3.430 -1.573 1.00 0.00 C ATOM 0 H ILE A 61 -1.292 7.118 0.907 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.115 4.624 2.477 1.00 0.00 H new ATOM 0 HB ILE A 61 0.278 5.542 -0.085 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.717 3.285 0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.050 4.791 -0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.321 3.320 -0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.798 4.266 1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.598 2.960 1.455 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.690 2.970 -2.063 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.413 4.200 -2.222 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.075 2.670 -1.378 1.00 0.00 H new ATOM 1006 N ILE A 62 1.166 5.426 3.421 1.00 0.00 N ATOM 1007 CA ILE A 62 2.318 5.954 4.095 1.00 0.00 C ATOM 1008 C ILE A 62 3.507 5.291 3.452 1.00 0.00 C ATOM 1009 O ILE A 62 3.704 4.069 3.580 1.00 0.00 O ATOM 1010 CB ILE A 62 2.361 5.660 5.644 1.00 0.00 C ATOM 1011 CG1 ILE A 62 1.139 6.211 6.400 1.00 0.00 C ATOM 1012 CG2 ILE A 62 3.644 6.195 6.272 1.00 0.00 C ATOM 1013 CD1 ILE A 62 -0.115 5.373 6.275 1.00 0.00 C ATOM 0 H ILE A 62 0.954 4.458 3.662 1.00 0.00 H new ATOM 0 HA ILE A 62 2.302 7.040 4.002 1.00 0.00 H new ATOM 0 HB ILE A 62 2.337 4.574 5.740 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.394 6.303 7.456 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.926 7.216 6.035 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.645 5.977 7.340 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.505 5.718 5.804 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.701 7.273 6.121 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.922 5.839 6.840 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.401 5.301 5.226 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.074 4.374 6.669 1.00 0.00 H new ATOM 1025 N TRP A 63 4.243 6.064 2.713 1.00 0.00 N ATOM 1026 CA TRP A 63 5.380 5.570 1.993 1.00 0.00 C ATOM 1027 C TRP A 63 6.616 5.612 2.842 1.00 0.00 C ATOM 1028 O TRP A 63 6.995 6.685 3.335 1.00 0.00 O ATOM 1029 CB TRP A 63 5.591 6.374 0.714 1.00 0.00 C ATOM 1030 CG TRP A 63 4.488 6.183 -0.260 1.00 0.00 C ATOM 1031 CD1 TRP A 63 3.329 6.890 -0.338 1.00 0.00 C ATOM 1032 CD2 TRP A 63 4.433 5.201 -1.287 1.00 0.00 C ATOM 1033 NE1 TRP A 63 2.552 6.400 -1.347 1.00 0.00 N ATOM 1034 CE2 TRP A 63 3.210 5.365 -1.950 1.00 0.00 C ATOM 1035 CE3 TRP A 63 5.306 4.198 -1.711 1.00 0.00 C ATOM 1036 CZ2 TRP A 63 2.835 4.561 -3.008 1.00 0.00 C ATOM 1037 CZ3 TRP A 63 4.933 3.400 -2.765 1.00 0.00 C ATOM 1038 CH2 TRP A 63 3.710 3.585 -3.403 1.00 0.00 C ATOM 0 H TRP A 63 4.072 7.062 2.591 1.00 0.00 H new ATOM 0 HA TRP A 63 5.185 4.531 1.728 1.00 0.00 H new ATOM 0 HB2 TRP A 63 5.674 7.432 0.962 1.00 0.00 H new ATOM 0 HB3 TRP A 63 6.534 6.079 0.254 1.00 0.00 H new ATOM 0 HD1 TRP A 63 3.063 7.717 0.304 1.00 0.00 H new ATOM 0 HE1 TRP A 63 1.630 6.749 -1.609 1.00 0.00 H new ATOM 0 HE3 TRP A 63 6.257 4.052 -1.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 1.886 4.697 -3.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 5.598 2.619 -3.103 1.00 0.00 H new ATOM 0 HH2 TRP A 63 3.445 2.943 -4.230 1.00 0.00 H new ATOM 1049 N PRO A 64 7.246 4.455 3.082 1.00 0.00 N ATOM 1050 CA PRO A 64 8.495 4.417 3.796 1.00 0.00 C ATOM 1051 C PRO A 64 9.589 5.006 2.934 1.00 0.00 C ATOM 1052 O PRO A 64 9.905 4.487 1.851 1.00 0.00 O ATOM 1053 CB PRO A 64 8.749 2.918 4.036 1.00 0.00 C ATOM 1054 CG PRO A 64 7.445 2.261 3.750 1.00 0.00 C ATOM 1055 CD PRO A 64 6.784 3.111 2.715 1.00 0.00 C ATOM 0 HA PRO A 64 8.474 4.987 4.725 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.534 2.540 3.381 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.070 2.730 5.061 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.590 1.244 3.387 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.834 2.194 4.650 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.090 2.836 1.706 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.698 3.029 2.753 1.00 0.00 H new ATOM 1063 N LEU A 65 10.148 6.071 3.426 1.00 0.00 N ATOM 1064 CA LEU A 65 11.200 6.813 2.788 1.00 0.00 C ATOM 1065 C LEU A 65 11.464 7.969 3.713 1.00 0.00 C ATOM 1066 O LEU A 65 10.828 9.023 3.576 1.00 0.00 O ATOM 1067 CB LEU A 65 10.753 7.343 1.379 1.00 0.00 C ATOM 1068 CG LEU A 65 11.855 7.741 0.352 1.00 0.00 C ATOM 1069 CD1 LEU A 65 12.751 8.867 0.841 1.00 0.00 C ATOM 1070 CD2 LEU A 65 12.678 6.534 -0.036 1.00 0.00 C ATOM 0 H LEU A 65 9.872 6.466 4.325 1.00 0.00 H new ATOM 0 HA LEU A 65 12.082 6.195 2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.131 6.576 0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.118 8.214 1.539 1.00 0.00 H new ATOM 0 HG LEU A 65 11.336 8.121 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.496 9.096 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.148 9.754 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.252 8.560 1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.443 6.831 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.155 6.118 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.030 5.781 -0.486 1.00 0.00 H new ATOM 1082 N ASP A 66 12.299 7.724 4.728 1.00 0.00 N ATOM 1083 CA ASP A 66 12.656 8.728 5.760 1.00 0.00 C ATOM 1084 C ASP A 66 11.478 8.943 6.720 1.00 0.00 C ATOM 1085 O ASP A 66 11.473 8.395 7.826 1.00 0.00 O ATOM 1086 CB ASP A 66 13.119 10.054 5.109 1.00 0.00 C ATOM 1087 CG ASP A 66 13.399 11.184 6.076 1.00 0.00 C ATOM 1088 OD1 ASP A 66 12.455 11.885 6.472 1.00 0.00 O ATOM 1089 OD2 ASP A 66 14.576 11.438 6.382 1.00 0.00 O ATOM 0 H ASP A 66 12.754 6.821 4.866 1.00 0.00 H new ATOM 0 HA ASP A 66 13.496 8.349 6.342 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.022 9.860 4.531 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.354 10.381 4.405 1.00 0.00 H new ATOM 1094 N LYS A 67 10.476 9.672 6.236 1.00 0.00 N ATOM 1095 CA LYS A 67 9.223 10.008 6.911 1.00 0.00 C ATOM 1096 C LYS A 67 9.445 10.762 8.247 1.00 0.00 C ATOM 1097 O LYS A 67 9.961 10.217 9.239 1.00 0.00 O ATOM 1098 CB LYS A 67 8.331 8.770 7.070 1.00 0.00 C ATOM 1099 CG LYS A 67 6.836 9.069 6.995 1.00 0.00 C ATOM 1100 CD LYS A 67 6.464 9.645 5.629 1.00 0.00 C ATOM 1101 CE LYS A 67 4.976 9.894 5.501 1.00 0.00 C ATOM 1102 NZ LYS A 67 4.638 10.497 4.203 1.00 0.00 N ATOM 0 H LYS A 67 10.520 10.071 5.298 1.00 0.00 H new ATOM 0 HA LYS A 67 8.690 10.709 6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.586 8.049 6.294 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.549 8.298 8.028 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.269 8.156 7.176 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.562 9.775 7.779 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.002 10.580 5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.784 8.957 4.847 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.438 8.953 5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.646 10.551 6.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.611 10.654 4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.133 11.406 4.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.931 9.858 3.437 1.00 0.00 H new ATOM 1116 N GLY A 68 9.015 11.999 8.278 1.00 0.00 N ATOM 1117 CA GLY A 68 9.265 12.838 9.420 1.00 0.00 C ATOM 1118 C GLY A 68 8.191 12.758 10.484 1.00 0.00 C ATOM 1119 O GLY A 68 7.327 13.639 10.570 1.00 0.00 O ATOM 0 H GLY A 68 8.491 12.446 7.526 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.222 12.559 9.861 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.357 13.872 9.087 1.00 0.00 H new ATOM 1123 N LEU A 69 8.216 11.703 11.272 1.00 0.00 N ATOM 1124 CA LEU A 69 7.298 11.574 12.401 1.00 0.00 C ATOM 1125 C LEU A 69 7.921 12.227 13.612 1.00 0.00 C ATOM 1126 O LEU A 69 9.046 11.878 14.002 1.00 0.00 O ATOM 1127 CB LEU A 69 6.937 10.107 12.736 1.00 0.00 C ATOM 1128 CG LEU A 69 6.129 9.304 11.700 1.00 0.00 C ATOM 1129 CD1 LEU A 69 4.892 10.059 11.235 1.00 0.00 C ATOM 1130 CD2 LEU A 69 6.986 8.857 10.532 1.00 0.00 C ATOM 0 H LEU A 69 8.859 10.919 11.157 1.00 0.00 H new ATOM 0 HA LEU A 69 6.368 12.066 12.118 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.867 9.569 12.923 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.375 10.107 13.670 1.00 0.00 H new ATOM 0 HG LEU A 69 5.783 8.401 12.203 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.351 9.457 10.505 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.246 10.260 12.090 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.192 11.002 10.777 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.375 8.294 9.827 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.405 9.731 10.033 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.795 8.224 10.896 1.00 0.00 H new ATOM 1142 N GLU A 70 7.224 13.226 14.157 1.00 0.00 N ATOM 1143 CA GLU A 70 7.636 14.032 15.331 1.00 0.00 C ATOM 1144 C GLU A 70 8.793 14.970 15.004 1.00 0.00 C ATOM 1145 O GLU A 70 8.894 16.076 15.536 1.00 0.00 O ATOM 1146 CB GLU A 70 7.923 13.166 16.571 1.00 0.00 C ATOM 1147 CG GLU A 70 6.693 12.432 17.092 1.00 0.00 C ATOM 1148 CD GLU A 70 5.583 13.380 17.479 1.00 0.00 C ATOM 1149 OE1 GLU A 70 5.577 13.874 18.620 1.00 0.00 O ATOM 1150 OE2 GLU A 70 4.688 13.664 16.643 1.00 0.00 O ATOM 0 H GLU A 70 6.319 13.515 13.785 1.00 0.00 H new ATOM 0 HA GLU A 70 6.783 14.660 15.588 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.696 12.437 16.326 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.322 13.799 17.363 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.331 11.745 16.327 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.971 11.829 17.956 1.00 0.00 H new ATOM 1157 N HIS A 71 9.650 14.523 14.140 1.00 0.00 N ATOM 1158 CA HIS A 71 10.736 15.295 13.635 1.00 0.00 C ATOM 1159 C HIS A 71 10.433 15.526 12.183 1.00 0.00 C ATOM 1160 O HIS A 71 10.873 14.776 11.329 1.00 0.00 O ATOM 1161 CB HIS A 71 12.079 14.547 13.766 1.00 0.00 C ATOM 1162 CG HIS A 71 12.395 14.065 15.145 1.00 0.00 C ATOM 1163 ND1 HIS A 71 13.138 14.781 16.048 1.00 0.00 N ATOM 1164 CD2 HIS A 71 12.057 12.918 15.770 1.00 0.00 C ATOM 1165 CE1 HIS A 71 13.244 14.097 17.161 1.00 0.00 C ATOM 1166 NE2 HIS A 71 12.594 12.964 17.020 1.00 0.00 N ATOM 0 H HIS A 71 9.609 13.579 13.756 1.00 0.00 H new ATOM 0 HA HIS A 71 10.836 16.224 14.197 1.00 0.00 H new ATOM 0 HB2 HIS A 71 12.070 13.692 13.090 1.00 0.00 H new ATOM 0 HB3 HIS A 71 12.880 15.207 13.434 1.00 0.00 H new ATOM 0 HD2 HIS A 71 11.469 12.112 15.355 1.00 0.00 H new ATOM 0 HE1 HIS A 71 13.777 14.412 18.046 1.00 0.00 H new ATOM 0 HE2 HIS A 71 12.506 12.238 17.731 1.00 0.00 H new ATOM 1175 N HIS A 72 9.589 16.480 11.909 1.00 0.00 N ATOM 1176 CA HIS A 72 9.171 16.720 10.547 1.00 0.00 C ATOM 1177 C HIS A 72 9.919 17.892 9.955 1.00 0.00 C ATOM 1178 O HIS A 72 10.356 17.827 8.819 1.00 0.00 O ATOM 1179 CB HIS A 72 7.651 16.929 10.461 1.00 0.00 C ATOM 1180 CG HIS A 72 7.122 17.015 9.054 1.00 0.00 C ATOM 1181 ND1 HIS A 72 6.422 18.094 8.570 1.00 0.00 N ATOM 1182 CD2 HIS A 72 7.181 16.125 8.035 1.00 0.00 C ATOM 1183 CE1 HIS A 72 6.077 17.861 7.313 1.00 0.00 C ATOM 1184 NE2 HIS A 72 6.528 16.676 6.972 1.00 0.00 N ATOM 0 H HIS A 72 9.176 17.104 12.602 1.00 0.00 H new ATOM 0 HA HIS A 72 9.414 15.835 9.959 1.00 0.00 H new ATOM 0 HB2 HIS A 72 7.152 16.108 10.976 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.390 17.844 10.993 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.658 15.156 8.060 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.519 18.532 6.676 1.00 0.00 H new ATOM 0 HE2 HIS A 72 6.409 16.238 6.059 1.00 0.00 H new ATOM 1193 N HIS A 73 10.077 18.948 10.733 1.00 0.00 N ATOM 1194 CA HIS A 73 10.780 20.140 10.272 1.00 0.00 C ATOM 1195 C HIS A 73 12.252 19.817 10.096 1.00 0.00 C ATOM 1196 O HIS A 73 12.855 20.115 9.071 1.00 0.00 O ATOM 1197 CB HIS A 73 10.588 21.301 11.261 1.00 0.00 C ATOM 1198 CG HIS A 73 11.221 22.589 10.821 1.00 0.00 C ATOM 1199 ND1 HIS A 73 12.188 23.242 11.548 1.00 0.00 N ATOM 1200 CD2 HIS A 73 10.996 23.356 9.732 1.00 0.00 C ATOM 1201 CE1 HIS A 73 12.526 24.348 10.927 1.00 0.00 C ATOM 1202 NE2 HIS A 73 11.818 24.437 9.824 1.00 0.00 N ATOM 0 H HIS A 73 9.728 19.008 11.690 1.00 0.00 H new ATOM 0 HA HIS A 73 10.367 20.452 9.313 1.00 0.00 H new ATOM 0 HB2 HIS A 73 9.521 21.465 11.410 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.005 21.015 12.227 1.00 0.00 H new ATOM 0 HD2 HIS A 73 10.295 23.150 8.937 1.00 0.00 H new ATOM 0 HE1 HIS A 73 13.261 25.063 11.265 1.00 0.00 H new ATOM 0 HE2 HIS A 73 11.875 25.196 9.145 1.00 0.00 H new ATOM 1211 N HIS A 74 12.807 19.201 11.091 1.00 0.00 N ATOM 1212 CA HIS A 74 14.159 18.767 11.048 1.00 0.00 C ATOM 1213 C HIS A 74 14.171 17.265 11.096 1.00 0.00 C ATOM 1214 O HIS A 74 14.157 16.661 12.165 1.00 0.00 O ATOM 1215 CB HIS A 74 14.990 19.376 12.187 1.00 0.00 C ATOM 1216 CG HIS A 74 16.419 18.914 12.225 1.00 0.00 C ATOM 1217 ND1 HIS A 74 17.003 18.380 13.345 1.00 0.00 N ATOM 1218 CD2 HIS A 74 17.374 18.917 11.275 1.00 0.00 C ATOM 1219 CE1 HIS A 74 18.249 18.075 13.085 1.00 0.00 C ATOM 1220 NE2 HIS A 74 18.501 18.391 11.836 1.00 0.00 N ATOM 0 H HIS A 74 12.325 18.985 11.964 1.00 0.00 H new ATOM 0 HA HIS A 74 14.622 19.109 10.123 1.00 0.00 H new ATOM 0 HB2 HIS A 74 14.974 20.462 12.092 1.00 0.00 H new ATOM 0 HB3 HIS A 74 14.516 19.132 13.138 1.00 0.00 H new ATOM 0 HD2 HIS A 74 17.268 19.270 10.260 1.00 0.00 H new ATOM 0 HE1 HIS A 74 18.951 17.638 13.780 1.00 0.00 H new ATOM 0 HE2 HIS A 74 19.395 18.264 11.362 1.00 0.00 H new ATOM 1229 N HIS A 75 14.143 16.685 9.954 1.00 0.00 N ATOM 1230 CA HIS A 75 14.135 15.255 9.824 1.00 0.00 C ATOM 1231 C HIS A 75 15.468 14.776 9.299 1.00 0.00 C ATOM 1232 O HIS A 75 15.693 14.668 8.097 1.00 0.00 O ATOM 1233 CB HIS A 75 12.921 14.725 9.000 1.00 0.00 C ATOM 1234 CG HIS A 75 12.768 15.261 7.599 1.00 0.00 C ATOM 1235 ND1 HIS A 75 12.726 14.458 6.504 1.00 0.00 N ATOM 1236 CD2 HIS A 75 12.596 16.519 7.134 1.00 0.00 C ATOM 1237 CE1 HIS A 75 12.544 15.180 5.426 1.00 0.00 C ATOM 1238 NE2 HIS A 75 12.460 16.434 5.781 1.00 0.00 N ATOM 0 H HIS A 75 14.125 17.185 9.065 1.00 0.00 H new ATOM 0 HA HIS A 75 13.996 14.826 10.817 1.00 0.00 H new ATOM 0 HB2 HIS A 75 12.997 13.639 8.943 1.00 0.00 H new ATOM 0 HB3 HIS A 75 12.009 14.952 9.553 1.00 0.00 H new ATOM 0 HD1 HIS A 75 12.822 13.443 6.519 1.00 0.00 H new ATOM 0 HD2 HIS A 75 12.571 17.423 7.725 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.475 14.803 4.416 1.00 0.00 H new ATOM 1247 N HIS A 76 16.370 14.607 10.213 1.00 0.00 N ATOM 1248 CA HIS A 76 17.707 14.164 9.945 1.00 0.00 C ATOM 1249 C HIS A 76 18.270 13.748 11.275 1.00 0.00 C ATOM 1250 O HIS A 76 18.235 12.565 11.607 1.00 0.00 O ATOM 1251 CB HIS A 76 18.557 15.311 9.348 1.00 0.00 C ATOM 1252 CG HIS A 76 19.932 14.903 8.881 1.00 0.00 C ATOM 1253 ND1 HIS A 76 21.041 14.896 9.699 1.00 0.00 N ATOM 1254 CD2 HIS A 76 20.373 14.521 7.660 1.00 0.00 C ATOM 1255 CE1 HIS A 76 22.094 14.535 9.004 1.00 0.00 C ATOM 1256 NE2 HIS A 76 21.717 14.301 7.767 1.00 0.00 N ATOM 1257 OXT HIS A 76 18.658 14.630 12.051 1.00 0.00 O ATOM 0 H HIS A 76 16.192 14.779 11.203 1.00 0.00 H new ATOM 0 HA HIS A 76 17.716 13.349 9.222 1.00 0.00 H new ATOM 0 HB2 HIS A 76 18.017 15.744 8.506 1.00 0.00 H new ATOM 0 HB3 HIS A 76 18.661 16.095 10.098 1.00 0.00 H new ATOM 0 HD2 HIS A 76 19.774 14.411 6.768 1.00 0.00 H new ATOM 0 HE1 HIS A 76 23.101 14.445 9.384 1.00 0.00 H new ATOM 0 HE2 HIS A 76 22.330 14.003 7.008 1.00 0.00 H new TER 1266 HIS A 76