USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 797 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 26 TYR OH : rot 180:sc= -0.89 USER MOD Set 1.2: A 96 TYR OH : rot 15:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 142:sc= 0.0221 USER MOD Single : A 38 SER OG : rot 180:sc=-0.00809 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 36:sc= 0.81 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -106:sc= -0.0782 (180deg=-1.29) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0632 K(o=-0.063,f=-2.5) USER MOD Single : A 80 THR OG1 : rot 31:sc= 0.0392 USER MOD Single : A 83 TYR OH : rot -66:sc= 0.244 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 156:sc= 0.0314 (180deg=0.00133) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -86:sc= 0.813 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 64:sc= 1.3 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl -176:sc= -1.33 (180deg=-1.56) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 6.339 8.776 -4.479 1.00 0.00 N ATOM 2 CA MET A 23 6.137 7.348 -4.304 1.00 0.00 C ATOM 3 C MET A 23 6.913 6.828 -3.094 1.00 0.00 C ATOM 4 O MET A 23 8.133 6.978 -3.024 1.00 0.00 O ATOM 5 CB MET A 23 6.597 6.608 -5.562 1.00 0.00 C ATOM 6 CG MET A 23 6.434 5.095 -5.401 1.00 0.00 C ATOM 7 SD MET A 23 7.763 4.246 -6.236 1.00 0.00 S ATOM 8 CE MET A 23 7.131 4.248 -7.904 1.00 0.00 C ATOM 0 HA MET A 23 5.075 7.170 -4.135 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.019 6.950 -6.421 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.641 6.845 -5.766 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.431 4.832 -4.343 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.475 4.779 -5.811 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.843 3.752 -8.563 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.179 3.718 -7.933 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.984 5.276 -8.236 1.00 0.00 H new ATOM 18 N ARG A 24 6.178 6.228 -2.171 1.00 0.00 N ATOM 19 CA ARG A 24 6.782 5.687 -0.965 1.00 0.00 C ATOM 20 C ARG A 24 7.061 4.192 -1.140 1.00 0.00 C ATOM 21 O ARG A 24 6.277 3.479 -1.761 1.00 0.00 O ATOM 22 CB ARG A 24 5.873 5.892 0.247 1.00 0.00 C ATOM 23 CG ARG A 24 5.720 7.378 0.572 1.00 0.00 C ATOM 24 CD ARG A 24 6.747 7.821 1.616 1.00 0.00 C ATOM 25 NE ARG A 24 8.073 7.994 0.979 1.00 0.00 N ATOM 26 CZ ARG A 24 9.033 7.059 0.976 1.00 0.00 C ATOM 27 NH1 ARG A 24 8.820 5.880 1.576 1.00 0.00 N ATOM 28 NH2 ARG A 24 10.204 7.303 0.373 1.00 0.00 N ATOM 0 H ARG A 24 5.168 6.104 -2.234 1.00 0.00 H new ATOM 0 HA ARG A 24 7.718 6.219 -0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.893 5.457 0.049 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.286 5.368 1.109 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.843 7.967 -0.337 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.713 7.571 0.943 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.430 8.757 2.076 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.811 7.080 2.413 1.00 0.00 H new ATOM 0 HE ARG A 24 8.268 8.880 0.513 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.928 5.695 2.034 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.550 5.168 1.574 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.365 8.201 -0.084 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.935 6.591 0.371 1.00 0.00 H new ATOM 42 N GLU A 25 8.181 3.763 -0.576 1.00 0.00 N ATOM 43 CA GLU A 25 8.573 2.366 -0.659 1.00 0.00 C ATOM 44 C GLU A 25 8.301 1.658 0.671 1.00 0.00 C ATOM 45 O GLU A 25 8.789 2.084 1.716 1.00 0.00 O ATOM 46 CB GLU A 25 10.044 2.232 -1.061 1.00 0.00 C ATOM 47 CG GLU A 25 10.186 1.449 -2.367 1.00 0.00 C ATOM 48 CD GLU A 25 10.555 2.377 -3.526 1.00 0.00 C ATOM 49 OE1 GLU A 25 11.627 3.015 -3.422 1.00 0.00 O ATOM 50 OE2 GLU A 25 9.760 2.428 -4.489 1.00 0.00 O ATOM 0 H GLU A 25 8.829 4.358 -0.060 1.00 0.00 H new ATOM 0 HA GLU A 25 7.974 1.886 -1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.485 3.222 -1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.597 1.728 -0.268 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.951 0.681 -2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.251 0.936 -2.591 1.00 0.00 H new ATOM 57 N TYR A 26 7.524 0.589 0.586 1.00 0.00 N ATOM 58 CA TYR A 26 7.181 -0.183 1.769 1.00 0.00 C ATOM 59 C TYR A 26 7.673 -1.626 1.643 1.00 0.00 C ATOM 60 O TYR A 26 7.705 -2.182 0.547 1.00 0.00 O ATOM 61 CB TYR A 26 5.652 -0.182 1.845 1.00 0.00 C ATOM 62 CG TYR A 26 5.025 1.211 1.756 1.00 0.00 C ATOM 63 CD1 TYR A 26 5.521 2.241 2.530 1.00 0.00 C ATOM 64 CD2 TYR A 26 3.965 1.436 0.903 1.00 0.00 C ATOM 65 CE1 TYR A 26 4.930 3.551 2.447 1.00 0.00 C ATOM 66 CE2 TYR A 26 3.375 2.747 0.819 1.00 0.00 C ATOM 67 CZ TYR A 26 3.887 3.740 1.596 1.00 0.00 C ATOM 68 OH TYR A 26 3.330 4.979 1.517 1.00 0.00 O ATOM 0 H TYR A 26 7.122 0.239 -0.283 1.00 0.00 H new ATOM 0 HA TYR A 26 7.644 0.249 2.657 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.258 -0.799 1.037 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.345 -0.648 2.781 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.352 2.064 3.197 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.578 0.629 0.298 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.307 4.366 3.048 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.545 2.938 0.155 1.00 0.00 H new ATOM 0 HH TYR A 26 2.595 4.967 0.868 1.00 0.00 H new ATOM 78 N PRO A 27 8.055 -2.206 2.813 1.00 0.00 N ATOM 79 CA PRO A 27 8.544 -3.575 2.844 1.00 0.00 C ATOM 80 C PRO A 27 7.393 -4.572 2.684 1.00 0.00 C ATOM 81 O PRO A 27 6.226 -4.192 2.735 1.00 0.00 O ATOM 82 CB PRO A 27 9.262 -3.705 4.177 1.00 0.00 C ATOM 83 CG PRO A 27 8.752 -2.561 5.039 1.00 0.00 C ATOM 84 CD PRO A 27 8.031 -1.579 4.130 1.00 0.00 C ATOM 0 HA PRO A 27 9.220 -3.800 2.019 1.00 0.00 H new ATOM 0 HB2 PRO A 27 9.051 -4.668 4.642 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.342 -3.644 4.046 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.077 -2.935 5.809 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.580 -2.070 5.551 1.00 0.00 H new ATOM 0 HD2 PRO A 27 7.009 -1.405 4.467 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.532 -0.611 4.117 1.00 0.00 H new ATOM 92 N VAL A 28 7.766 -5.829 2.493 1.00 0.00 N ATOM 93 CA VAL A 28 6.781 -6.883 2.326 1.00 0.00 C ATOM 94 C VAL A 28 7.103 -8.034 3.282 1.00 0.00 C ATOM 95 O VAL A 28 8.178 -8.627 3.205 1.00 0.00 O ATOM 96 CB VAL A 28 6.727 -7.321 0.860 1.00 0.00 C ATOM 97 CG1 VAL A 28 8.060 -7.929 0.420 1.00 0.00 C ATOM 98 CG2 VAL A 28 5.573 -8.296 0.621 1.00 0.00 C ATOM 0 H VAL A 28 8.736 -6.141 2.450 1.00 0.00 H new ATOM 0 HA VAL A 28 5.786 -6.519 2.580 1.00 0.00 H new ATOM 0 HB VAL A 28 6.547 -6.435 0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.995 -8.232 -0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.853 -7.190 0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.284 -8.800 1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.557 -8.591 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.708 -9.180 1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.630 -7.813 0.876 1.00 0.00 H new ATOM 108 N LYS A 29 6.154 -8.314 4.161 1.00 0.00 N ATOM 109 CA LYS A 29 6.323 -9.383 5.131 1.00 0.00 C ATOM 110 C LYS A 29 6.508 -10.710 4.393 1.00 0.00 C ATOM 111 O LYS A 29 5.930 -10.920 3.328 1.00 0.00 O ATOM 112 CB LYS A 29 5.163 -9.391 6.127 1.00 0.00 C ATOM 113 CG LYS A 29 5.368 -10.462 7.201 1.00 0.00 C ATOM 114 CD LYS A 29 5.994 -9.862 8.461 1.00 0.00 C ATOM 115 CE LYS A 29 7.487 -9.595 8.257 1.00 0.00 C ATOM 116 NZ LYS A 29 8.224 -9.787 9.527 1.00 0.00 N ATOM 0 H LYS A 29 5.264 -7.819 4.223 1.00 0.00 H new ATOM 0 HA LYS A 29 7.222 -9.219 5.725 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.076 -8.412 6.597 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.227 -9.575 5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.411 -10.921 7.449 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.010 -11.253 6.813 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.486 -8.932 8.716 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.854 -10.543 9.301 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.882 -10.266 7.495 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.635 -8.578 7.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.236 -9.602 9.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.857 -9.129 10.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.097 -10.765 9.858 1.00 0.00 H new ATOM 130 N LYS A 30 7.319 -11.573 4.989 1.00 0.00 N ATOM 131 CA LYS A 30 7.588 -12.875 4.402 1.00 0.00 C ATOM 132 C LYS A 30 6.338 -13.751 4.517 1.00 0.00 C ATOM 133 O LYS A 30 5.999 -14.215 5.604 1.00 0.00 O ATOM 134 CB LYS A 30 8.835 -13.499 5.031 1.00 0.00 C ATOM 135 CG LYS A 30 9.704 -14.175 3.969 1.00 0.00 C ATOM 136 CD LYS A 30 10.902 -14.880 4.610 1.00 0.00 C ATOM 137 CE LYS A 30 10.671 -16.391 4.687 1.00 0.00 C ATOM 138 NZ LYS A 30 10.988 -16.895 6.043 1.00 0.00 N ATOM 0 H LYS A 30 7.798 -11.396 5.872 1.00 0.00 H new ATOM 0 HA LYS A 30 7.811 -12.774 3.340 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.413 -12.729 5.543 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.540 -14.230 5.784 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.108 -14.897 3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.055 -13.431 3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.802 -14.675 4.031 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.070 -14.482 5.611 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.634 -16.619 4.441 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.293 -16.898 3.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.826 -17.922 6.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.984 -16.694 6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.377 -16.424 6.740 1.00 0.00 H new ATOM 152 N GLY A 31 5.687 -13.949 3.379 1.00 0.00 N ATOM 153 CA GLY A 31 4.482 -14.760 3.339 1.00 0.00 C ATOM 154 C GLY A 31 3.314 -13.976 2.738 1.00 0.00 C ATOM 155 O GLY A 31 2.580 -14.497 1.899 1.00 0.00 O ATOM 0 H GLY A 31 5.971 -13.562 2.479 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.663 -15.659 2.749 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.225 -15.087 4.347 1.00 0.00 H new ATOM 159 N PHE A 32 3.178 -12.739 3.190 1.00 0.00 N ATOM 160 CA PHE A 32 2.111 -11.878 2.707 1.00 0.00 C ATOM 161 C PHE A 32 1.949 -12.003 1.192 1.00 0.00 C ATOM 162 O PHE A 32 2.825 -12.538 0.513 1.00 0.00 O ATOM 163 CB PHE A 32 2.506 -10.441 3.049 1.00 0.00 C ATOM 164 CG PHE A 32 1.954 -9.945 4.387 1.00 0.00 C ATOM 165 CD1 PHE A 32 2.178 -10.658 5.523 1.00 0.00 C ATOM 166 CD2 PHE A 32 1.238 -8.790 4.440 1.00 0.00 C ATOM 167 CE1 PHE A 32 1.665 -10.198 6.764 1.00 0.00 C ATOM 168 CE2 PHE A 32 0.723 -8.328 5.681 1.00 0.00 C ATOM 169 CZ PHE A 32 0.949 -9.042 6.817 1.00 0.00 C ATOM 0 H PHE A 32 3.789 -12.311 3.886 1.00 0.00 H new ATOM 0 HA PHE A 32 1.166 -12.161 3.171 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.593 -10.369 3.067 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.156 -9.780 2.256 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.747 -11.575 5.481 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.061 -8.223 3.538 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.843 -10.765 7.666 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.153 -7.412 5.723 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.560 -8.691 7.761 1.00 0.00 H new ATOM 179 N PRO A 33 0.794 -11.489 0.692 1.00 0.00 N ATOM 180 CA PRO A 33 0.507 -11.537 -0.731 1.00 0.00 C ATOM 181 C PRO A 33 1.338 -10.504 -1.494 1.00 0.00 C ATOM 182 O PRO A 33 1.377 -9.334 -1.118 1.00 0.00 O ATOM 183 CB PRO A 33 -0.990 -11.294 -0.839 1.00 0.00 C ATOM 184 CG PRO A 33 -1.404 -10.658 0.478 1.00 0.00 C ATOM 185 CD PRO A 33 -0.264 -10.849 1.466 1.00 0.00 C ATOM 0 HA PRO A 33 0.775 -12.492 -1.182 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.220 -10.638 -1.679 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.526 -12.228 -1.008 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.616 -9.598 0.340 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.317 -11.119 0.855 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.068 -9.895 1.877 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.570 -11.470 2.308 1.00 0.00 H new ATOM 193 N THR A 34 1.981 -10.974 -2.553 1.00 0.00 N ATOM 194 CA THR A 34 2.809 -10.106 -3.372 1.00 0.00 C ATOM 195 C THR A 34 2.454 -10.271 -4.851 1.00 0.00 C ATOM 196 O THR A 34 3.294 -10.050 -5.722 1.00 0.00 O ATOM 197 CB THR A 34 4.275 -10.416 -3.060 1.00 0.00 C ATOM 198 OG1 THR A 34 4.339 -11.839 -3.081 1.00 0.00 O ATOM 199 CG2 THR A 34 4.659 -10.047 -1.625 1.00 0.00 C ATOM 0 H THR A 34 1.945 -11.945 -2.863 1.00 0.00 H new ATOM 0 HA THR A 34 2.629 -9.056 -3.142 1.00 0.00 H new ATOM 0 HB THR A 34 4.917 -9.878 -3.757 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.256 -12.128 -2.890 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.709 -10.287 -1.456 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.501 -8.980 -1.469 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.041 -10.611 -0.926 1.00 0.00 H new ATOM 207 N ASP A 35 1.209 -10.659 -5.089 1.00 0.00 N ATOM 208 CA ASP A 35 0.734 -10.856 -6.448 1.00 0.00 C ATOM 209 C ASP A 35 -0.457 -9.932 -6.706 1.00 0.00 C ATOM 210 O ASP A 35 -1.252 -9.671 -5.803 1.00 0.00 O ATOM 211 CB ASP A 35 0.270 -12.298 -6.665 1.00 0.00 C ATOM 212 CG ASP A 35 1.364 -13.269 -7.114 1.00 0.00 C ATOM 213 OD1 ASP A 35 2.523 -13.044 -6.707 1.00 0.00 O ATOM 214 OD2 ASP A 35 1.014 -14.214 -7.855 1.00 0.00 O ATOM 0 H ASP A 35 0.515 -10.842 -4.364 1.00 0.00 H new ATOM 0 HA ASP A 35 1.556 -10.635 -7.128 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.164 -12.668 -5.736 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.525 -12.300 -7.411 1.00 0.00 H new ATOM 219 N TYR A 36 -0.545 -9.462 -7.941 1.00 0.00 N ATOM 220 CA TYR A 36 -1.626 -8.573 -8.329 1.00 0.00 C ATOM 221 C TYR A 36 -2.981 -9.142 -7.909 1.00 0.00 C ATOM 222 O TYR A 36 -3.750 -8.478 -7.215 1.00 0.00 O ATOM 223 CB TYR A 36 -1.573 -8.486 -9.856 1.00 0.00 C ATOM 224 CG TYR A 36 -0.648 -7.388 -10.385 1.00 0.00 C ATOM 225 CD1 TYR A 36 0.710 -7.457 -10.152 1.00 0.00 C ATOM 226 CD2 TYR A 36 -1.172 -6.329 -11.099 1.00 0.00 C ATOM 227 CE1 TYR A 36 1.581 -6.424 -10.649 1.00 0.00 C ATOM 228 CE2 TYR A 36 -0.302 -5.295 -11.597 1.00 0.00 C ATOM 229 CZ TYR A 36 1.031 -5.394 -11.347 1.00 0.00 C ATOM 230 OH TYR A 36 1.853 -4.419 -11.819 1.00 0.00 O ATOM 0 H TYR A 36 0.116 -9.680 -8.687 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.513 -7.600 -7.851 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.244 -9.446 -10.253 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.580 -8.312 -10.235 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.120 -8.287 -9.596 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.235 -6.276 -11.284 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.646 -6.466 -10.472 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.699 -4.460 -12.156 1.00 0.00 H new ATOM 0 HH TYR A 36 1.543 -4.129 -12.702 1.00 0.00 H new ATOM 240 N ASP A 37 -3.234 -10.367 -8.347 1.00 0.00 N ATOM 241 CA ASP A 37 -4.484 -11.034 -8.025 1.00 0.00 C ATOM 242 C ASP A 37 -4.612 -11.164 -6.506 1.00 0.00 C ATOM 243 O ASP A 37 -5.649 -10.828 -5.935 1.00 0.00 O ATOM 244 CB ASP A 37 -4.530 -12.441 -8.624 1.00 0.00 C ATOM 245 CG ASP A 37 -4.911 -12.500 -10.105 1.00 0.00 C ATOM 246 OD1 ASP A 37 -4.581 -11.526 -10.814 1.00 0.00 O ATOM 247 OD2 ASP A 37 -5.523 -13.519 -10.493 1.00 0.00 O ATOM 0 H ASP A 37 -2.594 -10.915 -8.922 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.298 -10.439 -8.439 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.552 -12.906 -8.497 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.244 -13.038 -8.056 1.00 0.00 H new ATOM 252 N SER A 38 -3.542 -11.652 -5.894 1.00 0.00 N ATOM 253 CA SER A 38 -3.522 -11.830 -4.451 1.00 0.00 C ATOM 254 C SER A 38 -3.970 -10.541 -3.759 1.00 0.00 C ATOM 255 O SER A 38 -4.877 -10.563 -2.927 1.00 0.00 O ATOM 256 CB SER A 38 -2.129 -12.234 -3.967 1.00 0.00 C ATOM 257 OG SER A 38 -1.889 -13.629 -4.139 1.00 0.00 O ATOM 0 H SER A 38 -2.684 -11.929 -6.370 1.00 0.00 H new ATOM 0 HA SER A 38 -4.214 -12.632 -4.195 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.376 -11.666 -4.514 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.021 -11.974 -2.914 1.00 0.00 H new ATOM 0 HG SER A 38 -0.989 -13.848 -3.820 1.00 0.00 H new ATOM 263 N ILE A 39 -3.314 -9.450 -4.126 1.00 0.00 N ATOM 264 CA ILE A 39 -3.634 -8.154 -3.550 1.00 0.00 C ATOM 265 C ILE A 39 -5.054 -7.756 -3.958 1.00 0.00 C ATOM 266 O ILE A 39 -5.792 -7.173 -3.166 1.00 0.00 O ATOM 267 CB ILE A 39 -2.572 -7.122 -3.931 1.00 0.00 C ATOM 268 CG1 ILE A 39 -1.269 -7.368 -3.169 1.00 0.00 C ATOM 269 CG2 ILE A 39 -3.094 -5.698 -3.729 1.00 0.00 C ATOM 270 CD1 ILE A 39 -0.095 -6.657 -3.844 1.00 0.00 C ATOM 0 H ILE A 39 -2.562 -9.436 -4.815 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.618 -8.206 -2.461 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.350 -7.237 -4.992 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.371 -7.014 -2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.070 -8.438 -3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.319 -4.984 -4.007 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.974 -5.541 -4.353 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.362 -5.554 -2.682 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.819 -6.849 -3.281 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.020 -7.030 -4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.286 -5.584 -3.871 1.00 0.00 H new ATOM 282 N LYS A 40 -5.394 -8.088 -5.195 1.00 0.00 N ATOM 283 CA LYS A 40 -6.712 -7.772 -5.719 1.00 0.00 C ATOM 284 C LYS A 40 -7.779 -8.350 -4.784 1.00 0.00 C ATOM 285 O LYS A 40 -8.805 -7.717 -4.542 1.00 0.00 O ATOM 286 CB LYS A 40 -6.842 -8.246 -7.168 1.00 0.00 C ATOM 287 CG LYS A 40 -8.172 -7.795 -7.774 1.00 0.00 C ATOM 288 CD LYS A 40 -8.609 -8.739 -8.896 1.00 0.00 C ATOM 289 CE LYS A 40 -9.962 -9.382 -8.577 1.00 0.00 C ATOM 290 NZ LYS A 40 -10.837 -9.366 -9.770 1.00 0.00 N ATOM 0 H LYS A 40 -4.780 -8.573 -5.849 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.862 -6.693 -5.748 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.016 -7.851 -7.759 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.770 -9.333 -7.207 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.938 -7.766 -6.999 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.074 -6.782 -8.163 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.676 -8.188 -9.834 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.857 -9.516 -9.036 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.813 -10.408 -8.241 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.443 -8.845 -7.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.750 -9.806 -9.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.993 -8.383 -10.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.384 -9.898 -10.540 1.00 0.00 H new ATOM 304 N ARG A 41 -7.499 -9.546 -4.289 1.00 0.00 N ATOM 305 CA ARG A 41 -8.422 -10.216 -3.387 1.00 0.00 C ATOM 306 C ARG A 41 -8.330 -9.610 -1.986 1.00 0.00 C ATOM 307 O ARG A 41 -9.335 -9.504 -1.284 1.00 0.00 O ATOM 308 CB ARG A 41 -8.122 -11.714 -3.307 1.00 0.00 C ATOM 309 CG ARG A 41 -8.738 -12.460 -4.493 1.00 0.00 C ATOM 310 CD ARG A 41 -7.770 -12.500 -5.678 1.00 0.00 C ATOM 311 NE ARG A 41 -8.132 -13.609 -6.589 1.00 0.00 N ATOM 312 CZ ARG A 41 -9.232 -13.627 -7.352 1.00 0.00 C ATOM 313 NH1 ARG A 41 -10.087 -12.595 -7.317 1.00 0.00 N ATOM 314 NH2 ARG A 41 -9.479 -14.675 -8.148 1.00 0.00 N ATOM 0 H ARG A 41 -6.648 -10.069 -4.495 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.429 -10.078 -3.780 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -7.044 -11.872 -3.293 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.515 -12.118 -2.374 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.995 -13.476 -4.194 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.665 -11.972 -4.793 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.800 -11.552 -6.215 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.749 -12.631 -5.320 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.503 -14.411 -6.639 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.899 -11.797 -6.710 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.925 -12.607 -7.898 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.829 -15.461 -8.173 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.317 -14.688 -8.729 1.00 0.00 H new ATOM 328 N LYS A 42 -7.116 -9.226 -1.621 1.00 0.00 N ATOM 329 CA LYS A 42 -6.881 -8.633 -0.315 1.00 0.00 C ATOM 330 C LYS A 42 -7.580 -7.274 -0.243 1.00 0.00 C ATOM 331 O LYS A 42 -8.066 -6.877 0.816 1.00 0.00 O ATOM 332 CB LYS A 42 -5.381 -8.568 -0.019 1.00 0.00 C ATOM 333 CG LYS A 42 -4.983 -9.603 1.035 1.00 0.00 C ATOM 334 CD LYS A 42 -4.909 -8.968 2.426 1.00 0.00 C ATOM 335 CE LYS A 42 -5.444 -9.925 3.494 1.00 0.00 C ATOM 336 NZ LYS A 42 -6.478 -9.259 4.314 1.00 0.00 N ATOM 0 H LYS A 42 -6.285 -9.314 -2.206 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.312 -9.256 0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.818 -8.743 -0.936 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.119 -7.569 0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.707 -10.418 1.041 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.017 -10.037 0.777 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.877 -8.703 2.654 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.486 -8.043 2.439 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.864 -10.812 3.019 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.627 -10.262 4.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.831 -9.922 5.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.067 -8.426 4.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.265 -8.960 3.704 1.00 0.00 H new ATOM 350 N ILE A 43 -7.612 -6.599 -1.383 1.00 0.00 N ATOM 351 CA ILE A 43 -8.244 -5.293 -1.462 1.00 0.00 C ATOM 352 C ILE A 43 -9.755 -5.451 -1.278 1.00 0.00 C ATOM 353 O ILE A 43 -10.358 -4.770 -0.450 1.00 0.00 O ATOM 354 CB ILE A 43 -7.854 -4.587 -2.763 1.00 0.00 C ATOM 355 CG1 ILE A 43 -6.344 -4.353 -2.827 1.00 0.00 C ATOM 356 CG2 ILE A 43 -8.644 -3.288 -2.938 1.00 0.00 C ATOM 357 CD1 ILE A 43 -5.846 -4.385 -4.274 1.00 0.00 C ATOM 0 H ILE A 43 -7.210 -6.932 -2.259 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.889 -4.649 -0.657 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.114 -5.238 -3.598 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.102 -3.391 -2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.829 -5.117 -2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.349 -2.805 -3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.710 -3.512 -2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.436 -2.620 -2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.769 -4.216 -4.292 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.068 -5.357 -4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.345 -3.604 -4.848 1.00 0.00 H new ATOM 369 N SER A 44 -10.323 -6.355 -2.063 1.00 0.00 N ATOM 370 CA SER A 44 -11.752 -6.612 -1.996 1.00 0.00 C ATOM 371 C SER A 44 -12.093 -7.336 -0.693 1.00 0.00 C ATOM 372 O SER A 44 -13.181 -7.160 -0.148 1.00 0.00 O ATOM 373 CB SER A 44 -12.220 -7.434 -3.198 1.00 0.00 C ATOM 374 OG SER A 44 -13.639 -7.424 -3.332 1.00 0.00 O ATOM 0 H SER A 44 -9.820 -6.918 -2.748 1.00 0.00 H new ATOM 0 HA SER A 44 -12.273 -5.655 -2.019 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.767 -7.037 -4.107 1.00 0.00 H new ATOM 0 HB3 SER A 44 -11.873 -8.462 -3.091 1.00 0.00 H new ATOM 0 HG SER A 44 -13.898 -7.959 -4.112 1.00 0.00 H new ATOM 380 N GLU A 45 -11.143 -8.136 -0.231 1.00 0.00 N ATOM 381 CA GLU A 45 -11.330 -8.889 0.998 1.00 0.00 C ATOM 382 C GLU A 45 -11.409 -7.939 2.194 1.00 0.00 C ATOM 383 O GLU A 45 -11.949 -8.295 3.240 1.00 0.00 O ATOM 384 CB GLU A 45 -10.212 -9.915 1.187 1.00 0.00 C ATOM 385 CG GLU A 45 -10.471 -11.169 0.350 1.00 0.00 C ATOM 386 CD GLU A 45 -10.858 -12.353 1.241 1.00 0.00 C ATOM 387 OE1 GLU A 45 -11.684 -12.131 2.152 1.00 0.00 O ATOM 388 OE2 GLU A 45 -10.318 -13.452 0.990 1.00 0.00 O ATOM 0 H GLU A 45 -10.241 -8.279 -0.686 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.271 -9.434 0.928 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.257 -9.474 0.902 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.136 -10.186 2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.268 -10.973 -0.368 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.579 -11.418 -0.224 1.00 0.00 H new ATOM 395 N LEU A 46 -10.863 -6.747 2.001 1.00 0.00 N ATOM 396 CA LEU A 46 -10.866 -5.742 3.051 1.00 0.00 C ATOM 397 C LEU A 46 -12.132 -4.892 2.933 1.00 0.00 C ATOM 398 O LEU A 46 -12.585 -4.306 3.916 1.00 0.00 O ATOM 399 CB LEU A 46 -9.572 -4.927 3.017 1.00 0.00 C ATOM 400 CG LEU A 46 -9.626 -3.616 2.229 1.00 0.00 C ATOM 401 CD1 LEU A 46 -9.831 -2.422 3.165 1.00 0.00 C ATOM 402 CD2 LEU A 46 -8.383 -3.451 1.353 1.00 0.00 C ATOM 0 H LEU A 46 -10.415 -6.454 1.132 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.890 -6.216 4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.282 -4.700 4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.784 -5.550 2.594 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.487 -3.654 1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.866 -1.503 2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.768 -2.542 3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.005 -2.370 3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.447 -2.512 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.493 -3.444 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.322 -4.280 0.648 1.00 0.00 H new ATOM 414 N GLY A 47 -12.668 -4.849 1.723 1.00 0.00 N ATOM 415 CA GLY A 47 -13.874 -4.079 1.464 1.00 0.00 C ATOM 416 C GLY A 47 -13.584 -2.907 0.524 1.00 0.00 C ATOM 417 O GLY A 47 -14.274 -1.889 0.564 1.00 0.00 O ATOM 0 H GLY A 47 -12.290 -5.335 0.910 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.634 -4.724 1.023 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.280 -3.704 2.404 1.00 0.00 H new ATOM 421 N PHE A 48 -12.563 -3.089 -0.301 1.00 0.00 N ATOM 422 CA PHE A 48 -12.175 -2.060 -1.250 1.00 0.00 C ATOM 423 C PHE A 48 -12.312 -2.560 -2.689 1.00 0.00 C ATOM 424 O PHE A 48 -12.670 -3.714 -2.917 1.00 0.00 O ATOM 425 CB PHE A 48 -10.706 -1.730 -0.975 1.00 0.00 C ATOM 426 CG PHE A 48 -10.478 -0.922 0.304 1.00 0.00 C ATOM 427 CD1 PHE A 48 -11.538 -0.394 0.972 1.00 0.00 C ATOM 428 CD2 PHE A 48 -9.215 -0.731 0.772 1.00 0.00 C ATOM 429 CE1 PHE A 48 -11.327 0.357 2.159 1.00 0.00 C ATOM 430 CE2 PHE A 48 -9.004 0.019 1.959 1.00 0.00 C ATOM 431 CZ PHE A 48 -10.064 0.547 2.627 1.00 0.00 C ATOM 0 H PHE A 48 -11.993 -3.934 -0.332 1.00 0.00 H new ATOM 0 HA PHE A 48 -12.817 -1.187 -1.135 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.141 -2.660 -0.910 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.305 -1.172 -1.821 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.541 -0.546 0.600 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.373 -1.150 0.241 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.169 0.777 2.690 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.002 0.170 2.331 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.903 1.118 3.530 1.00 0.00 H new ATOM 441 N ASP A 49 -12.020 -1.666 -3.622 1.00 0.00 N ATOM 442 CA ASP A 49 -12.107 -2.003 -5.033 1.00 0.00 C ATOM 443 C ASP A 49 -10.716 -1.908 -5.662 1.00 0.00 C ATOM 444 O ASP A 49 -9.817 -1.285 -5.099 1.00 0.00 O ATOM 445 CB ASP A 49 -13.029 -1.032 -5.775 1.00 0.00 C ATOM 446 CG ASP A 49 -14.328 -1.648 -6.299 1.00 0.00 C ATOM 447 OD1 ASP A 49 -14.226 -2.684 -6.990 1.00 0.00 O ATOM 448 OD2 ASP A 49 -15.392 -1.067 -5.999 1.00 0.00 O ATOM 0 H ASP A 49 -11.723 -0.709 -3.429 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.507 -3.014 -5.115 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.279 -0.208 -5.106 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.482 -0.605 -6.615 1.00 0.00 H new ATOM 453 N VAL A 50 -10.581 -2.535 -6.821 1.00 0.00 N ATOM 454 CA VAL A 50 -9.314 -2.530 -7.533 1.00 0.00 C ATOM 455 C VAL A 50 -9.579 -2.429 -9.037 1.00 0.00 C ATOM 456 O VAL A 50 -10.373 -3.194 -9.582 1.00 0.00 O ATOM 457 CB VAL A 50 -8.494 -3.763 -7.151 1.00 0.00 C ATOM 458 CG1 VAL A 50 -9.357 -5.026 -7.180 1.00 0.00 C ATOM 459 CG2 VAL A 50 -7.273 -3.912 -8.061 1.00 0.00 C ATOM 0 H VAL A 50 -11.329 -3.050 -7.285 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.720 -1.661 -7.249 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.137 -3.625 -6.130 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.750 -5.888 -6.905 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.180 -4.921 -6.473 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.757 -5.170 -8.183 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.707 -4.796 -7.768 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.601 -4.017 -9.095 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.640 -3.029 -7.969 1.00 0.00 H new ATOM 469 N LYS A 51 -8.899 -1.480 -9.663 1.00 0.00 N ATOM 470 CA LYS A 51 -9.052 -1.270 -11.093 1.00 0.00 C ATOM 471 C LYS A 51 -7.775 -1.719 -11.808 1.00 0.00 C ATOM 472 O LYS A 51 -6.674 -1.537 -11.292 1.00 0.00 O ATOM 473 CB LYS A 51 -9.442 0.179 -11.383 1.00 0.00 C ATOM 474 CG LYS A 51 -10.571 0.640 -10.459 1.00 0.00 C ATOM 475 CD LYS A 51 -11.866 -0.119 -10.757 1.00 0.00 C ATOM 476 CE LYS A 51 -12.504 0.375 -12.058 1.00 0.00 C ATOM 477 NZ LYS A 51 -13.734 -0.393 -12.356 1.00 0.00 N ATOM 0 H LYS A 51 -8.241 -0.848 -9.207 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.868 -1.878 -11.483 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.574 0.826 -11.253 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.757 0.273 -12.422 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.283 0.482 -9.420 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.735 1.710 -10.585 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.657 -1.186 -10.832 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.566 0.011 -9.932 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.742 1.435 -11.974 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.795 0.271 -12.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.154 -0.045 -13.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.498 -1.401 -12.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.415 -0.273 -11.579 1.00 0.00 H new ATOM 491 N SER A 52 -7.966 -2.296 -12.985 1.00 0.00 N ATOM 492 CA SER A 52 -6.844 -2.771 -13.776 1.00 0.00 C ATOM 493 C SER A 52 -6.578 -1.811 -14.937 1.00 0.00 C ATOM 494 O SER A 52 -7.299 -1.822 -15.934 1.00 0.00 O ATOM 495 CB SER A 52 -7.102 -4.184 -14.304 1.00 0.00 C ATOM 496 OG SER A 52 -8.246 -4.236 -15.154 1.00 0.00 O ATOM 0 H SER A 52 -8.881 -2.445 -13.410 1.00 0.00 H new ATOM 0 HA SER A 52 -5.964 -2.807 -13.134 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.227 -4.531 -14.853 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.243 -4.865 -13.464 1.00 0.00 H new ATOM 0 HG SER A 52 -8.298 -3.413 -15.684 1.00 0.00 H new ATOM 502 N GLU A 53 -5.542 -1.003 -14.769 1.00 0.00 N ATOM 503 CA GLU A 53 -5.171 -0.039 -15.792 1.00 0.00 C ATOM 504 C GLU A 53 -3.926 -0.513 -16.542 1.00 0.00 C ATOM 505 O GLU A 53 -2.848 -0.617 -15.960 1.00 0.00 O ATOM 506 CB GLU A 53 -4.950 1.347 -15.181 1.00 0.00 C ATOM 507 CG GLU A 53 -4.343 2.306 -16.208 1.00 0.00 C ATOM 508 CD GLU A 53 -5.242 3.528 -16.412 1.00 0.00 C ATOM 509 OE1 GLU A 53 -5.542 4.189 -15.396 1.00 0.00 O ATOM 510 OE2 GLU A 53 -5.607 3.774 -17.583 1.00 0.00 O ATOM 0 H GLU A 53 -4.948 -0.996 -13.940 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.991 0.040 -16.506 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.899 1.746 -14.821 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.290 1.267 -14.317 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.357 2.627 -15.873 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.205 1.789 -17.157 1.00 0.00 H new ATOM 517 N GLY A 54 -4.116 -0.787 -17.825 1.00 0.00 N ATOM 518 CA GLY A 54 -3.022 -1.249 -18.662 1.00 0.00 C ATOM 519 C GLY A 54 -2.337 -2.470 -18.046 1.00 0.00 C ATOM 520 O GLY A 54 -2.900 -3.564 -18.040 1.00 0.00 O ATOM 0 H GLY A 54 -5.012 -0.698 -18.305 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.399 -1.501 -19.653 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.295 -0.447 -18.792 1.00 0.00 H new ATOM 524 N ASP A 55 -1.133 -2.242 -17.543 1.00 0.00 N ATOM 525 CA ASP A 55 -0.365 -3.311 -16.926 1.00 0.00 C ATOM 526 C ASP A 55 -0.137 -2.982 -15.450 1.00 0.00 C ATOM 527 O ASP A 55 0.459 -3.772 -14.719 1.00 0.00 O ATOM 528 CB ASP A 55 1.002 -3.461 -17.593 1.00 0.00 C ATOM 529 CG ASP A 55 0.975 -4.093 -18.987 1.00 0.00 C ATOM 530 OD1 ASP A 55 0.178 -5.037 -19.168 1.00 0.00 O ATOM 531 OD2 ASP A 55 1.754 -3.615 -19.841 1.00 0.00 O ATOM 0 H ASP A 55 -0.670 -1.333 -17.550 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.926 -4.239 -17.040 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.464 -2.477 -17.666 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.640 -4.066 -16.948 1.00 0.00 H new ATOM 536 N LEU A 56 -0.624 -1.814 -15.054 1.00 0.00 N ATOM 537 CA LEU A 56 -0.480 -1.371 -13.677 1.00 0.00 C ATOM 538 C LEU A 56 -1.746 -1.729 -12.896 1.00 0.00 C ATOM 539 O LEU A 56 -2.791 -1.991 -13.490 1.00 0.00 O ATOM 540 CB LEU A 56 -0.126 0.117 -13.627 1.00 0.00 C ATOM 541 CG LEU A 56 1.137 0.532 -14.385 1.00 0.00 C ATOM 542 CD1 LEU A 56 1.859 1.670 -13.664 1.00 0.00 C ATOM 543 CD2 LEU A 56 2.054 -0.671 -14.623 1.00 0.00 C ATOM 0 H LEU A 56 -1.118 -1.162 -15.663 1.00 0.00 H new ATOM 0 HA LEU A 56 0.349 -1.888 -13.195 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.968 0.684 -14.025 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.011 0.408 -12.583 1.00 0.00 H new ATOM 0 HG LEU A 56 0.840 0.909 -15.364 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.753 1.946 -14.223 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.196 2.532 -13.590 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.143 1.344 -12.663 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.944 -0.349 -15.163 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.347 -1.100 -13.665 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.525 -1.421 -15.210 1.00 0.00 H new ATOM 555 N ILE A 57 -1.610 -1.727 -11.578 1.00 0.00 N ATOM 556 CA ILE A 57 -2.731 -2.047 -10.711 1.00 0.00 C ATOM 557 C ILE A 57 -3.164 -0.788 -9.958 1.00 0.00 C ATOM 558 O ILE A 57 -2.327 0.027 -9.570 1.00 0.00 O ATOM 559 CB ILE A 57 -2.379 -3.221 -9.794 1.00 0.00 C ATOM 560 CG1 ILE A 57 -3.560 -4.184 -9.659 1.00 0.00 C ATOM 561 CG2 ILE A 57 -1.884 -2.725 -8.434 1.00 0.00 C ATOM 562 CD1 ILE A 57 -3.288 -5.236 -8.583 1.00 0.00 C ATOM 0 H ILE A 57 -0.741 -1.509 -11.090 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.587 -2.376 -11.300 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.561 -3.778 -10.250 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.462 -3.626 -9.408 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.745 -4.675 -10.614 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.641 -3.579 -7.802 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.994 -2.111 -8.573 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.664 -2.131 -7.957 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.143 -5.908 -8.507 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.399 -5.808 -8.850 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.128 -4.743 -7.624 1.00 0.00 H new ATOM 574 N ILE A 58 -4.470 -0.667 -9.774 1.00 0.00 N ATOM 575 CA ILE A 58 -5.025 0.479 -9.075 1.00 0.00 C ATOM 576 C ILE A 58 -5.864 -0.006 -7.891 1.00 0.00 C ATOM 577 O ILE A 58 -6.618 -0.972 -8.014 1.00 0.00 O ATOM 578 CB ILE A 58 -5.795 1.377 -10.046 1.00 0.00 C ATOM 579 CG1 ILE A 58 -4.983 1.633 -11.317 1.00 0.00 C ATOM 580 CG2 ILE A 58 -6.220 2.681 -9.365 1.00 0.00 C ATOM 581 CD1 ILE A 58 -3.870 2.650 -11.063 1.00 0.00 C ATOM 0 H ILE A 58 -5.161 -1.344 -10.097 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.226 1.098 -8.667 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.705 0.857 -10.345 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.551 0.697 -11.671 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.641 1.999 -12.105 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.765 3.302 -10.076 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -6.862 2.454 -8.514 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.335 3.216 -9.020 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.309 2.813 -11.983 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.307 3.592 -10.733 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.200 2.271 -10.292 1.00 0.00 H new ATOM 593 N ALA A 59 -5.703 0.683 -6.770 1.00 0.00 N ATOM 594 CA ALA A 59 -6.436 0.332 -5.566 1.00 0.00 C ATOM 595 C ALA A 59 -7.510 1.389 -5.302 1.00 0.00 C ATOM 596 O ALA A 59 -7.281 2.579 -5.517 1.00 0.00 O ATOM 597 CB ALA A 59 -5.459 0.189 -4.398 1.00 0.00 C ATOM 0 H ALA A 59 -5.076 1.482 -6.671 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.940 -0.627 -5.689 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.008 -0.074 -3.494 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.735 -0.594 -4.623 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.937 1.133 -4.243 1.00 0.00 H new ATOM 603 N SER A 60 -8.658 0.918 -4.839 1.00 0.00 N ATOM 604 CA SER A 60 -9.768 1.809 -4.544 1.00 0.00 C ATOM 605 C SER A 60 -10.018 1.850 -3.035 1.00 0.00 C ATOM 606 O SER A 60 -10.635 0.943 -2.479 1.00 0.00 O ATOM 607 CB SER A 60 -11.036 1.372 -5.280 1.00 0.00 C ATOM 608 OG SER A 60 -11.651 2.455 -5.971 1.00 0.00 O ATOM 0 H SER A 60 -8.844 -0.069 -4.661 1.00 0.00 H new ATOM 0 HA SER A 60 -9.506 2.809 -4.890 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.789 0.582 -5.990 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.743 0.950 -4.566 1.00 0.00 H new ATOM 0 HG SER A 60 -12.456 2.135 -6.430 1.00 0.00 H new ATOM 614 N ILE A 61 -9.526 2.912 -2.414 1.00 0.00 N ATOM 615 CA ILE A 61 -9.688 3.083 -0.980 1.00 0.00 C ATOM 616 C ILE A 61 -10.434 4.392 -0.709 1.00 0.00 C ATOM 617 O ILE A 61 -10.416 5.304 -1.534 1.00 0.00 O ATOM 618 CB ILE A 61 -8.334 2.990 -0.272 1.00 0.00 C ATOM 619 CG1 ILE A 61 -7.498 4.246 -0.518 1.00 0.00 C ATOM 620 CG2 ILE A 61 -7.591 1.716 -0.681 1.00 0.00 C ATOM 621 CD1 ILE A 61 -6.120 4.125 0.137 1.00 0.00 C ATOM 0 H ILE A 61 -9.015 3.663 -2.878 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.294 2.277 -0.566 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.512 2.930 0.802 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.382 4.406 -1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.018 5.117 -0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.632 1.673 -0.165 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.188 0.844 -0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.423 1.722 -1.758 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.546 5.032 -0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.239 3.990 1.212 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.593 3.267 -0.281 1.00 0.00 H new ATOM 633 N PRO A 62 -11.087 4.444 0.483 1.00 0.00 N ATOM 634 CA PRO A 62 -11.837 5.625 0.874 1.00 0.00 C ATOM 635 C PRO A 62 -10.897 6.755 1.300 1.00 0.00 C ATOM 636 O PRO A 62 -9.988 6.542 2.100 1.00 0.00 O ATOM 637 CB PRO A 62 -12.752 5.158 1.995 1.00 0.00 C ATOM 638 CG PRO A 62 -12.155 3.855 2.504 1.00 0.00 C ATOM 639 CD PRO A 62 -11.130 3.384 1.486 1.00 0.00 C ATOM 0 HA PRO A 62 -12.418 6.045 0.053 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -12.805 5.901 2.791 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.769 5.007 1.632 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.686 4.004 3.477 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.934 3.104 2.637 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.154 3.236 1.947 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.421 2.432 1.043 1.00 0.00 H new ATOM 647 N GLY A 63 -11.151 7.933 0.748 1.00 0.00 N ATOM 648 CA GLY A 63 -10.340 9.096 1.062 1.00 0.00 C ATOM 649 C GLY A 63 -9.319 9.367 -0.046 1.00 0.00 C ATOM 650 O GLY A 63 -8.891 10.505 -0.235 1.00 0.00 O ATOM 0 H GLY A 63 -11.907 8.106 0.085 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.982 9.967 1.191 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.822 8.938 2.008 1.00 0.00 H new ATOM 654 N ILE A 64 -8.959 8.303 -0.748 1.00 0.00 N ATOM 655 CA ILE A 64 -7.997 8.411 -1.831 1.00 0.00 C ATOM 656 C ILE A 64 -8.719 8.239 -3.169 1.00 0.00 C ATOM 657 O ILE A 64 -9.619 7.408 -3.288 1.00 0.00 O ATOM 658 CB ILE A 64 -6.842 7.428 -1.623 1.00 0.00 C ATOM 659 CG1 ILE A 64 -5.983 7.837 -0.425 1.00 0.00 C ATOM 660 CG2 ILE A 64 -6.014 7.279 -2.901 1.00 0.00 C ATOM 661 CD1 ILE A 64 -6.536 7.247 0.873 1.00 0.00 C ATOM 0 H ILE A 64 -9.317 7.361 -0.588 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.543 9.402 -1.839 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.262 6.448 -1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.958 7.498 -0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.951 8.924 -0.350 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.200 6.575 -2.727 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.649 6.907 -3.705 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.602 8.248 -3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.907 7.553 1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.552 7.608 1.033 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.544 6.159 0.804 1.00 0.00 H new ATOM 673 N SER A 65 -8.298 9.034 -4.140 1.00 0.00 N ATOM 674 CA SER A 65 -8.893 8.980 -5.464 1.00 0.00 C ATOM 675 C SER A 65 -8.426 7.721 -6.197 1.00 0.00 C ATOM 676 O SER A 65 -9.235 6.857 -6.531 1.00 0.00 O ATOM 677 CB SER A 65 -8.544 10.228 -6.277 1.00 0.00 C ATOM 678 OG SER A 65 -9.654 11.113 -6.401 1.00 0.00 O ATOM 0 H SER A 65 -7.551 9.720 -4.036 1.00 0.00 H new ATOM 0 HA SER A 65 -9.976 8.946 -5.350 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.715 10.751 -5.800 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.205 9.931 -7.269 1.00 0.00 H new ATOM 0 HG SER A 65 -9.390 11.898 -6.925 1.00 0.00 H new ATOM 684 N ARG A 66 -7.123 7.655 -6.424 1.00 0.00 N ATOM 685 CA ARG A 66 -6.537 6.516 -7.109 1.00 0.00 C ATOM 686 C ARG A 66 -5.063 6.366 -6.728 1.00 0.00 C ATOM 687 O ARG A 66 -4.349 7.360 -6.593 1.00 0.00 O ATOM 688 CB ARG A 66 -6.652 6.670 -8.628 1.00 0.00 C ATOM 689 CG ARG A 66 -5.999 7.972 -9.097 1.00 0.00 C ATOM 690 CD ARG A 66 -6.959 8.784 -9.970 1.00 0.00 C ATOM 691 NE ARG A 66 -6.722 10.231 -9.770 1.00 0.00 N ATOM 692 CZ ARG A 66 -7.212 11.189 -10.568 1.00 0.00 C ATOM 693 NH1 ARG A 66 -7.967 10.860 -11.623 1.00 0.00 N ATOM 694 NH2 ARG A 66 -6.945 12.478 -10.310 1.00 0.00 N ATOM 0 H ARG A 66 -6.455 8.374 -6.145 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.086 5.626 -6.802 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.176 5.822 -9.120 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.702 6.660 -8.920 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.699 8.564 -8.233 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.093 7.747 -9.659 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.817 8.525 -11.019 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.990 8.537 -9.718 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.150 10.517 -8.975 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.169 9.880 -11.819 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.340 11.589 -12.231 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.369 12.729 -9.506 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.318 13.208 -10.917 1.00 0.00 H new ATOM 708 N ILE A 67 -4.652 5.118 -6.566 1.00 0.00 N ATOM 709 CA ILE A 67 -3.276 4.825 -6.203 1.00 0.00 C ATOM 710 C ILE A 67 -2.774 3.640 -7.032 1.00 0.00 C ATOM 711 O ILE A 67 -3.560 2.780 -7.429 1.00 0.00 O ATOM 712 CB ILE A 67 -3.152 4.613 -4.692 1.00 0.00 C ATOM 713 CG1 ILE A 67 -4.054 3.469 -4.224 1.00 0.00 C ATOM 714 CG2 ILE A 67 -3.433 5.911 -3.933 1.00 0.00 C ATOM 715 CD1 ILE A 67 -5.420 3.993 -3.779 1.00 0.00 C ATOM 0 H ILE A 67 -5.247 4.298 -6.679 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.633 5.674 -6.437 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.125 4.325 -4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.183 2.749 -5.032 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.577 2.940 -3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.339 5.734 -2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.717 6.674 -4.239 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.444 6.252 -4.157 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.041 3.159 -3.452 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.290 4.694 -2.955 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.905 4.500 -4.613 1.00 0.00 H new ATOM 727 N GLU A 68 -1.471 3.634 -7.269 1.00 0.00 N ATOM 728 CA GLU A 68 -0.856 2.570 -8.044 1.00 0.00 C ATOM 729 C GLU A 68 -0.058 1.640 -7.128 1.00 0.00 C ATOM 730 O GLU A 68 0.653 2.102 -6.237 1.00 0.00 O ATOM 731 CB GLU A 68 0.029 3.141 -9.154 1.00 0.00 C ATOM 732 CG GLU A 68 -0.666 3.046 -10.513 1.00 0.00 C ATOM 733 CD GLU A 68 0.088 3.852 -11.572 1.00 0.00 C ATOM 734 OE1 GLU A 68 1.315 4.019 -11.392 1.00 0.00 O ATOM 735 OE2 GLU A 68 -0.577 4.284 -12.538 1.00 0.00 O ATOM 0 H GLU A 68 -0.824 4.349 -6.938 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.646 1.989 -8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.267 4.182 -8.935 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.974 2.598 -9.186 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.728 2.002 -10.821 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.688 3.415 -10.429 1.00 0.00 H new ATOM 742 N ILE A 69 -0.202 0.348 -7.380 1.00 0.00 N ATOM 743 CA ILE A 69 0.498 -0.651 -6.589 1.00 0.00 C ATOM 744 C ILE A 69 1.421 -1.463 -7.501 1.00 0.00 C ATOM 745 O ILE A 69 1.042 -1.818 -8.616 1.00 0.00 O ATOM 746 CB ILE A 69 -0.498 -1.506 -5.804 1.00 0.00 C ATOM 747 CG1 ILE A 69 -1.833 -0.779 -5.638 1.00 0.00 C ATOM 748 CG2 ILE A 69 0.091 -1.940 -4.461 1.00 0.00 C ATOM 749 CD1 ILE A 69 -1.711 0.369 -4.633 1.00 0.00 C ATOM 0 H ILE A 69 -0.793 -0.031 -8.120 1.00 0.00 H new ATOM 0 HA ILE A 69 1.130 -0.171 -5.842 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.695 -2.413 -6.376 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.162 -0.390 -6.602 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.595 -1.482 -5.302 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.638 -2.547 -3.923 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.995 -2.525 -4.632 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.336 -1.058 -3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.674 0.869 -4.534 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.406 -0.026 -3.664 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.966 1.083 -4.985 1.00 0.00 H new ATOM 761 N LYS A 70 2.615 -1.732 -6.993 1.00 0.00 N ATOM 762 CA LYS A 70 3.594 -2.494 -7.748 1.00 0.00 C ATOM 763 C LYS A 70 4.233 -3.541 -6.834 1.00 0.00 C ATOM 764 O LYS A 70 5.262 -3.283 -6.210 1.00 0.00 O ATOM 765 CB LYS A 70 4.606 -1.558 -8.411 1.00 0.00 C ATOM 766 CG LYS A 70 4.322 -1.414 -9.908 1.00 0.00 C ATOM 767 CD LYS A 70 3.394 -0.227 -10.178 1.00 0.00 C ATOM 768 CE LYS A 70 4.162 1.095 -10.109 1.00 0.00 C ATOM 769 NZ LYS A 70 3.680 1.915 -8.975 1.00 0.00 N ATOM 0 H LYS A 70 2.926 -1.436 -6.068 1.00 0.00 H new ATOM 0 HA LYS A 70 3.111 -3.033 -8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.567 -0.579 -7.934 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.615 -1.944 -8.264 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.259 -1.278 -10.448 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.867 -2.330 -10.285 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.936 -0.335 -11.161 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.584 -0.220 -9.448 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.228 0.898 -9.996 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.037 1.644 -11.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.104 2.702 -9.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.103 1.326 -8.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.494 2.294 -8.450 1.00 0.00 H new ATOM 783 N PRO A 71 3.579 -4.732 -6.780 1.00 0.00 N ATOM 784 CA PRO A 71 4.073 -5.821 -5.952 1.00 0.00 C ATOM 785 C PRO A 71 5.298 -6.481 -6.588 1.00 0.00 C ATOM 786 O PRO A 71 5.307 -6.760 -7.787 1.00 0.00 O ATOM 787 CB PRO A 71 2.894 -6.770 -5.807 1.00 0.00 C ATOM 788 CG PRO A 71 1.934 -6.419 -6.932 1.00 0.00 C ATOM 789 CD PRO A 71 2.359 -5.075 -7.504 1.00 0.00 C ATOM 0 HA PRO A 71 4.418 -5.484 -4.975 1.00 0.00 H new ATOM 0 HB2 PRO A 71 3.218 -7.808 -5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.416 -6.652 -4.835 1.00 0.00 H new ATOM 0 HG2 PRO A 71 1.955 -7.187 -7.705 1.00 0.00 H new ATOM 0 HG3 PRO A 71 0.911 -6.369 -6.559 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.541 -5.141 -8.577 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.586 -4.320 -7.357 1.00 0.00 H new ATOM 797 N ASP A 72 6.302 -6.714 -5.757 1.00 0.00 N ATOM 798 CA ASP A 72 7.531 -7.336 -6.222 1.00 0.00 C ATOM 799 C ASP A 72 8.004 -8.358 -5.186 1.00 0.00 C ATOM 800 O ASP A 72 7.789 -8.178 -3.988 1.00 0.00 O ATOM 801 CB ASP A 72 8.640 -6.298 -6.404 1.00 0.00 C ATOM 802 CG ASP A 72 9.434 -6.422 -7.706 1.00 0.00 C ATOM 803 OD1 ASP A 72 9.308 -7.487 -8.348 1.00 0.00 O ATOM 804 OD2 ASP A 72 10.149 -5.449 -8.030 1.00 0.00 O ATOM 0 H ASP A 72 6.290 -6.483 -4.763 1.00 0.00 H new ATOM 0 HA ASP A 72 7.325 -7.814 -7.180 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.197 -5.303 -6.360 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.332 -6.376 -5.565 1.00 0.00 H new ATOM 809 N LYS A 73 8.639 -9.407 -5.685 1.00 0.00 N ATOM 810 CA LYS A 73 9.145 -10.458 -4.818 1.00 0.00 C ATOM 811 C LYS A 73 10.087 -9.846 -3.779 1.00 0.00 C ATOM 812 O LYS A 73 10.202 -10.355 -2.665 1.00 0.00 O ATOM 813 CB LYS A 73 9.783 -11.576 -5.645 1.00 0.00 C ATOM 814 CG LYS A 73 11.114 -11.120 -6.247 1.00 0.00 C ATOM 815 CD LYS A 73 10.923 -10.606 -7.676 1.00 0.00 C ATOM 816 CE LYS A 73 12.194 -10.802 -8.504 1.00 0.00 C ATOM 817 NZ LYS A 73 11.979 -10.356 -9.897 1.00 0.00 N ATOM 0 H LYS A 73 8.815 -9.552 -6.679 1.00 0.00 H new ATOM 0 HA LYS A 73 8.327 -10.927 -4.271 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.945 -12.452 -5.016 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.103 -11.877 -6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.546 -10.333 -5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.821 -11.950 -6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.093 -11.132 -8.147 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.659 -9.549 -7.654 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.015 -10.240 -8.059 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.484 -11.853 -8.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.852 -10.496 -10.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.209 -10.910 -10.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.724 -9.348 -9.903 1.00 0.00 H new ATOM 831 N ARG A 74 10.736 -8.764 -4.181 1.00 0.00 N ATOM 832 CA ARG A 74 11.665 -8.078 -3.299 1.00 0.00 C ATOM 833 C ARG A 74 10.904 -7.174 -2.327 1.00 0.00 C ATOM 834 O ARG A 74 10.923 -7.401 -1.118 1.00 0.00 O ATOM 835 CB ARG A 74 12.661 -7.233 -4.096 1.00 0.00 C ATOM 836 CG ARG A 74 14.100 -7.552 -3.689 1.00 0.00 C ATOM 837 CD ARG A 74 15.047 -7.438 -4.885 1.00 0.00 C ATOM 838 NE ARG A 74 16.451 -7.566 -4.433 1.00 0.00 N ATOM 839 CZ ARG A 74 17.092 -6.647 -3.697 1.00 0.00 C ATOM 840 NH1 ARG A 74 16.457 -5.527 -3.324 1.00 0.00 N ATOM 841 NH2 ARG A 74 18.365 -6.848 -3.333 1.00 0.00 N ATOM 0 H ARG A 74 10.637 -8.345 -5.106 1.00 0.00 H new ATOM 0 HA ARG A 74 12.214 -8.837 -2.742 1.00 0.00 H new ATOM 0 HB2 ARG A 74 12.531 -7.420 -5.162 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.459 -6.175 -3.931 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.419 -6.869 -2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 74 14.150 -8.559 -3.276 1.00 0.00 H new ATOM 0 HD2 ARG A 74 14.819 -8.215 -5.615 1.00 0.00 H new ATOM 0 HD3 ARG A 74 14.903 -6.480 -5.384 1.00 0.00 H new ATOM 0 HE ARG A 74 16.963 -8.407 -4.699 1.00 0.00 H new ATOM 0 HH11 ARG A 74 15.487 -5.375 -3.600 1.00 0.00 H new ATOM 0 HH12 ARG A 74 16.944 -4.827 -2.764 1.00 0.00 H new ATOM 0 HH21 ARG A 74 18.848 -7.701 -3.616 1.00 0.00 H new ATOM 0 HH22 ARG A 74 18.852 -6.148 -2.773 1.00 0.00 H new ATOM 855 N LYS A 75 10.253 -6.168 -2.892 1.00 0.00 N ATOM 856 CA LYS A 75 9.486 -5.229 -2.090 1.00 0.00 C ATOM 857 C LYS A 75 8.323 -4.685 -2.922 1.00 0.00 C ATOM 858 O LYS A 75 8.097 -5.131 -4.046 1.00 0.00 O ATOM 859 CB LYS A 75 10.400 -4.138 -1.523 1.00 0.00 C ATOM 860 CG LYS A 75 11.193 -3.454 -2.639 1.00 0.00 C ATOM 861 CD LYS A 75 12.684 -3.408 -2.301 1.00 0.00 C ATOM 862 CE LYS A 75 13.525 -3.171 -3.558 1.00 0.00 C ATOM 863 NZ LYS A 75 13.819 -1.730 -3.721 1.00 0.00 N ATOM 0 H LYS A 75 10.241 -5.982 -3.895 1.00 0.00 H new ATOM 0 HA LYS A 75 9.052 -5.732 -1.226 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.802 -3.398 -0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.087 -4.574 -0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.045 -3.990 -3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.819 -2.441 -2.788 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.872 -2.614 -1.578 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.983 -4.345 -1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 75 14.457 -3.733 -3.491 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.992 -3.541 -4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.390 -1.587 -4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.928 -1.201 -3.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.346 -1.387 -2.893 1.00 0.00 H new ATOM 877 N ILE A 76 7.616 -3.729 -2.338 1.00 0.00 N ATOM 878 CA ILE A 76 6.481 -3.121 -3.011 1.00 0.00 C ATOM 879 C ILE A 76 6.555 -1.601 -2.853 1.00 0.00 C ATOM 880 O ILE A 76 7.187 -1.100 -1.924 1.00 0.00 O ATOM 881 CB ILE A 76 5.170 -3.727 -2.506 1.00 0.00 C ATOM 882 CG1 ILE A 76 4.656 -2.977 -1.276 1.00 0.00 C ATOM 883 CG2 ILE A 76 5.326 -5.227 -2.243 1.00 0.00 C ATOM 884 CD1 ILE A 76 3.275 -3.489 -0.861 1.00 0.00 C ATOM 0 H ILE A 76 7.807 -3.360 -1.406 1.00 0.00 H new ATOM 0 HA ILE A 76 6.513 -3.334 -4.079 1.00 0.00 H new ATOM 0 HB ILE A 76 4.418 -3.614 -3.286 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.357 -3.101 -0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.603 -1.910 -1.492 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.380 -5.634 -1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.611 -5.731 -3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.098 -5.386 -1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.932 -2.940 0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.571 -3.342 -1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.337 -4.551 -0.623 1.00 0.00 H new ATOM 896 N LEU A 77 5.902 -0.909 -3.776 1.00 0.00 N ATOM 897 CA LEU A 77 5.886 0.544 -3.751 1.00 0.00 C ATOM 898 C LEU A 77 4.505 1.043 -4.179 1.00 0.00 C ATOM 899 O LEU A 77 3.783 0.346 -4.892 1.00 0.00 O ATOM 900 CB LEU A 77 7.032 1.107 -4.595 1.00 0.00 C ATOM 901 CG LEU A 77 7.626 0.157 -5.636 1.00 0.00 C ATOM 902 CD1 LEU A 77 8.346 -1.014 -4.963 1.00 0.00 C ATOM 903 CD2 LEU A 77 6.557 -0.317 -6.621 1.00 0.00 C ATOM 0 H LEU A 77 5.380 -1.328 -4.546 1.00 0.00 H new ATOM 0 HA LEU A 77 6.057 0.909 -2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.674 2.000 -5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.830 1.424 -3.924 1.00 0.00 H new ATOM 0 HG LEU A 77 8.372 0.706 -6.211 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.759 -1.674 -5.726 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.153 -0.634 -4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.639 -1.570 -4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.007 -0.991 -7.350 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.770 -0.842 -6.079 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.131 0.543 -7.137 1.00 0.00 H new ATOM 915 N VAL A 78 4.178 2.244 -3.727 1.00 0.00 N ATOM 916 CA VAL A 78 2.896 2.844 -4.056 1.00 0.00 C ATOM 917 C VAL A 78 3.114 4.291 -4.501 1.00 0.00 C ATOM 918 O VAL A 78 4.043 4.953 -4.039 1.00 0.00 O ATOM 919 CB VAL A 78 1.942 2.720 -2.866 1.00 0.00 C ATOM 920 CG1 VAL A 78 0.483 2.760 -3.327 1.00 0.00 C ATOM 921 CG2 VAL A 78 2.228 1.452 -2.062 1.00 0.00 C ATOM 0 H VAL A 78 4.778 2.818 -3.135 1.00 0.00 H new ATOM 0 HA VAL A 78 2.428 2.317 -4.887 1.00 0.00 H new ATOM 0 HB VAL A 78 2.111 3.575 -2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.174 2.670 -2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.288 3.705 -3.835 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.295 1.934 -4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.535 1.389 -1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.102 0.579 -2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.251 1.482 -1.687 1.00 0.00 H new ATOM 931 N ASN A 79 2.241 4.741 -5.391 1.00 0.00 N ATOM 932 CA ASN A 79 2.326 6.098 -5.903 1.00 0.00 C ATOM 933 C ASN A 79 0.944 6.751 -5.837 1.00 0.00 C ATOM 934 O ASN A 79 -0.052 6.144 -6.226 1.00 0.00 O ATOM 935 CB ASN A 79 2.784 6.108 -7.362 1.00 0.00 C ATOM 936 CG ASN A 79 3.499 7.417 -7.704 1.00 0.00 C ATOM 937 OD1 ASN A 79 3.528 8.359 -6.930 1.00 0.00 O ATOM 938 ND2 ASN A 79 4.073 7.423 -8.903 1.00 0.00 N ATOM 0 H ASN A 79 1.471 4.190 -5.770 1.00 0.00 H new ATOM 0 HA ASN A 79 3.047 6.643 -5.295 1.00 0.00 H new ATOM 0 HB2 ASN A 79 3.453 5.266 -7.543 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.923 5.978 -8.018 1.00 0.00 H new ATOM 0 HD21 ASN A 79 4.575 8.251 -9.224 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.011 6.600 -9.502 1.00 0.00 H new ATOM 945 N THR A 80 0.929 7.979 -5.340 1.00 0.00 N ATOM 946 CA THR A 80 -0.314 8.721 -5.216 1.00 0.00 C ATOM 947 C THR A 80 -0.347 9.876 -6.218 1.00 0.00 C ATOM 948 O THR A 80 0.658 10.557 -6.421 1.00 0.00 O ATOM 949 CB THR A 80 -0.451 9.176 -3.762 1.00 0.00 C ATOM 950 OG1 THR A 80 0.712 9.966 -3.534 1.00 0.00 O ATOM 951 CG2 THR A 80 -0.316 8.018 -2.772 1.00 0.00 C ATOM 0 H THR A 80 1.758 8.479 -5.018 1.00 0.00 H new ATOM 0 HA THR A 80 -1.173 8.096 -5.458 1.00 0.00 H new ATOM 0 HB THR A 80 -1.417 9.662 -3.623 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.981 10.401 -4.370 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.421 8.395 -1.755 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.094 7.280 -2.967 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.663 7.553 -2.887 1.00 0.00 H new ATOM 959 N GLY A 81 -1.512 10.060 -6.822 1.00 0.00 N ATOM 960 CA GLY A 81 -1.689 11.120 -7.800 1.00 0.00 C ATOM 961 C GLY A 81 -2.300 12.366 -7.154 1.00 0.00 C ATOM 962 O GLY A 81 -1.580 13.205 -6.614 1.00 0.00 O ATOM 0 H GLY A 81 -2.343 9.493 -6.653 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.727 11.372 -8.246 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.333 10.771 -8.607 1.00 0.00 H new ATOM 966 N ASP A 82 -3.619 12.447 -7.230 1.00 0.00 N ATOM 967 CA ASP A 82 -4.334 13.576 -6.659 1.00 0.00 C ATOM 968 C ASP A 82 -5.289 13.073 -5.574 1.00 0.00 C ATOM 969 O ASP A 82 -6.283 12.413 -5.875 1.00 0.00 O ATOM 970 CB ASP A 82 -5.164 14.297 -7.722 1.00 0.00 C ATOM 971 CG ASP A 82 -4.872 15.792 -7.865 1.00 0.00 C ATOM 972 OD1 ASP A 82 -3.909 16.117 -8.594 1.00 0.00 O ATOM 973 OD2 ASP A 82 -5.619 16.579 -7.243 1.00 0.00 O ATOM 0 H ASP A 82 -4.212 11.749 -7.678 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.599 14.267 -6.246 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.992 13.815 -8.684 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.220 14.169 -7.485 1.00 0.00 H new ATOM 978 N TYR A 83 -4.956 13.407 -4.335 1.00 0.00 N ATOM 979 CA TYR A 83 -5.771 12.997 -3.206 1.00 0.00 C ATOM 980 C TYR A 83 -7.136 13.689 -3.234 1.00 0.00 C ATOM 981 O TYR A 83 -7.303 14.710 -3.899 1.00 0.00 O ATOM 982 CB TYR A 83 -5.012 13.443 -1.955 1.00 0.00 C ATOM 983 CG TYR A 83 -4.292 12.308 -1.226 1.00 0.00 C ATOM 984 CD1 TYR A 83 -3.516 11.414 -1.938 1.00 0.00 C ATOM 985 CD2 TYR A 83 -4.416 12.177 0.142 1.00 0.00 C ATOM 986 CE1 TYR A 83 -2.837 10.346 -1.251 1.00 0.00 C ATOM 987 CE2 TYR A 83 -3.738 11.109 0.828 1.00 0.00 C ATOM 988 CZ TYR A 83 -2.982 10.246 0.097 1.00 0.00 C ATOM 989 OH TYR A 83 -2.340 9.236 0.745 1.00 0.00 O ATOM 0 H TYR A 83 -4.133 13.957 -4.090 1.00 0.00 H new ATOM 0 HA TYR A 83 -5.945 11.921 -3.229 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.281 14.201 -2.237 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.713 13.916 -1.267 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -3.419 11.516 -3.009 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -5.022 12.876 0.698 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -2.226 9.640 -1.794 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.827 10.995 1.898 1.00 0.00 H new ATOM 0 HH TYR A 83 -2.720 8.376 0.468 1.00 0.00 H new ATOM 999 N ASP A 84 -8.076 13.107 -2.506 1.00 0.00 N ATOM 1000 CA ASP A 84 -9.420 13.655 -2.440 1.00 0.00 C ATOM 1001 C ASP A 84 -9.339 15.172 -2.262 1.00 0.00 C ATOM 1002 O ASP A 84 -8.269 15.712 -1.986 1.00 0.00 O ATOM 1003 CB ASP A 84 -10.191 13.080 -1.250 1.00 0.00 C ATOM 1004 CG ASP A 84 -11.263 12.048 -1.611 1.00 0.00 C ATOM 1005 OD1 ASP A 84 -10.874 10.881 -1.832 1.00 0.00 O ATOM 1006 OD2 ASP A 84 -12.445 12.450 -1.656 1.00 0.00 O ATOM 0 H ASP A 84 -7.934 12.260 -1.956 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.936 13.395 -3.364 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.480 12.619 -0.565 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.665 13.901 -0.712 1.00 0.00 H new ATOM 1011 N SER A 85 -10.484 15.816 -2.429 1.00 0.00 N ATOM 1012 CA SER A 85 -10.557 17.261 -2.290 1.00 0.00 C ATOM 1013 C SER A 85 -11.273 17.627 -0.988 1.00 0.00 C ATOM 1014 O SER A 85 -10.743 18.383 -0.175 1.00 0.00 O ATOM 1015 CB SER A 85 -11.271 17.894 -3.486 1.00 0.00 C ATOM 1016 OG SER A 85 -10.378 18.640 -4.308 1.00 0.00 O ATOM 0 H SER A 85 -11.369 15.364 -2.659 1.00 0.00 H new ATOM 0 HA SER A 85 -9.540 17.653 -2.260 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.744 17.113 -4.081 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.066 18.548 -3.129 1.00 0.00 H new ATOM 0 HG SER A 85 -10.872 19.026 -5.061 1.00 0.00 H new ATOM 1022 N ASP A 86 -12.467 17.074 -0.832 1.00 0.00 N ATOM 1023 CA ASP A 86 -13.262 17.333 0.357 1.00 0.00 C ATOM 1024 C ASP A 86 -12.761 16.450 1.502 1.00 0.00 C ATOM 1025 O ASP A 86 -12.958 16.775 2.671 1.00 0.00 O ATOM 1026 CB ASP A 86 -14.736 17.004 0.115 1.00 0.00 C ATOM 1027 CG ASP A 86 -15.707 18.156 0.378 1.00 0.00 C ATOM 1028 OD1 ASP A 86 -15.845 18.522 1.565 1.00 0.00 O ATOM 1029 OD2 ASP A 86 -16.290 18.645 -0.614 1.00 0.00 O ATOM 0 H ASP A 86 -12.903 16.448 -1.509 1.00 0.00 H new ATOM 0 HA ASP A 86 -13.165 18.390 0.605 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.855 16.677 -0.918 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -15.014 16.162 0.750 1.00 0.00 H new ATOM 1034 N ALA A 87 -12.123 15.350 1.124 1.00 0.00 N ATOM 1035 CA ALA A 87 -11.594 14.420 2.106 1.00 0.00 C ATOM 1036 C ALA A 87 -10.284 14.971 2.670 1.00 0.00 C ATOM 1037 O ALA A 87 -9.378 15.327 1.916 1.00 0.00 O ATOM 1038 CB ALA A 87 -11.417 13.045 1.459 1.00 0.00 C ATOM 0 H ALA A 87 -11.961 15.084 0.153 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.288 14.304 2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.020 12.345 2.194 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.381 12.685 1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.724 13.123 0.622 1.00 0.00 H new ATOM 1044 N ASP A 88 -10.223 15.026 3.992 1.00 0.00 N ATOM 1045 CA ASP A 88 -9.039 15.530 4.668 1.00 0.00 C ATOM 1046 C ASP A 88 -7.842 14.645 4.313 1.00 0.00 C ATOM 1047 O ASP A 88 -7.733 13.518 4.790 1.00 0.00 O ATOM 1048 CB ASP A 88 -9.215 15.497 6.187 1.00 0.00 C ATOM 1049 CG ASP A 88 -9.944 16.705 6.779 1.00 0.00 C ATOM 1050 OD1 ASP A 88 -9.562 17.836 6.407 1.00 0.00 O ATOM 1051 OD2 ASP A 88 -10.865 16.471 7.590 1.00 0.00 O ATOM 0 H ASP A 88 -10.975 14.730 4.614 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.879 16.559 4.346 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.763 14.594 6.455 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.231 15.422 6.650 1.00 0.00 H new ATOM 1056 N LYS A 89 -6.972 15.192 3.474 1.00 0.00 N ATOM 1057 CA LYS A 89 -5.785 14.468 3.051 1.00 0.00 C ATOM 1058 C LYS A 89 -5.078 13.892 4.278 1.00 0.00 C ATOM 1059 O LYS A 89 -4.431 12.849 4.194 1.00 0.00 O ATOM 1060 CB LYS A 89 -4.892 15.362 2.188 1.00 0.00 C ATOM 1061 CG LYS A 89 -5.670 15.930 0.998 1.00 0.00 C ATOM 1062 CD LYS A 89 -5.290 17.390 0.742 1.00 0.00 C ATOM 1063 CE LYS A 89 -6.481 18.317 0.994 1.00 0.00 C ATOM 1064 NZ LYS A 89 -7.421 18.274 -0.149 1.00 0.00 N ATOM 0 H LYS A 89 -7.066 16.127 3.077 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.059 13.624 2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.497 16.179 2.792 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.037 14.789 1.828 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -5.465 15.336 0.108 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.740 15.857 1.190 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -4.460 17.673 1.390 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.945 17.505 -0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.995 18.018 1.907 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.130 19.338 1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.370 18.552 0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.099 18.931 -0.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.455 17.309 -0.534 1.00 0.00 H new ATOM 1078 N LEU A 90 -5.223 14.597 5.390 1.00 0.00 N ATOM 1079 CA LEU A 90 -4.605 14.168 6.634 1.00 0.00 C ATOM 1080 C LEU A 90 -5.409 13.011 7.226 1.00 0.00 C ATOM 1081 O LEU A 90 -4.846 12.109 7.844 1.00 0.00 O ATOM 1082 CB LEU A 90 -4.441 15.354 7.587 1.00 0.00 C ATOM 1083 CG LEU A 90 -3.141 15.393 8.393 1.00 0.00 C ATOM 1084 CD1 LEU A 90 -1.961 15.804 7.513 1.00 0.00 C ATOM 1085 CD2 LEU A 90 -3.284 16.295 9.621 1.00 0.00 C ATOM 0 H LEU A 90 -5.759 15.462 5.456 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.598 13.794 6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.513 16.274 7.006 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.278 15.352 8.285 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.934 14.386 8.756 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.050 15.823 8.111 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.846 15.087 6.700 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.144 16.795 7.099 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.346 16.305 10.176 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.528 17.308 9.302 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.080 15.915 10.261 1.00 0.00 H new ATOM 1097 N ALA A 91 -6.717 13.073 7.017 1.00 0.00 N ATOM 1098 CA ALA A 91 -7.606 12.042 7.522 1.00 0.00 C ATOM 1099 C ALA A 91 -7.472 10.788 6.654 1.00 0.00 C ATOM 1100 O ALA A 91 -7.244 9.694 7.166 1.00 0.00 O ATOM 1101 CB ALA A 91 -9.039 12.575 7.559 1.00 0.00 C ATOM 0 H ALA A 91 -7.182 13.822 6.504 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.334 11.768 8.541 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.706 11.800 7.938 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.086 13.446 8.212 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.348 12.859 6.553 1.00 0.00 H new ATOM 1107 N VAL A 92 -7.620 10.992 5.353 1.00 0.00 N ATOM 1108 CA VAL A 92 -7.519 9.893 4.407 1.00 0.00 C ATOM 1109 C VAL A 92 -6.197 9.155 4.628 1.00 0.00 C ATOM 1110 O VAL A 92 -6.112 7.946 4.411 1.00 0.00 O ATOM 1111 CB VAL A 92 -7.680 10.415 2.978 1.00 0.00 C ATOM 1112 CG1 VAL A 92 -8.828 11.423 2.889 1.00 0.00 C ATOM 1113 CG2 VAL A 92 -6.373 11.025 2.467 1.00 0.00 C ATOM 0 H VAL A 92 -7.809 11.902 4.932 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.323 9.175 4.569 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.927 9.569 2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.921 11.779 1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -9.758 10.943 3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.623 12.267 3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.515 11.388 1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.082 11.855 3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.590 10.267 2.476 1.00 0.00 H new ATOM 1123 N VAL A 93 -5.199 9.912 5.060 1.00 0.00 N ATOM 1124 CA VAL A 93 -3.887 9.345 5.314 1.00 0.00 C ATOM 1125 C VAL A 93 -4.017 8.190 6.308 1.00 0.00 C ATOM 1126 O VAL A 93 -3.365 7.157 6.157 1.00 0.00 O ATOM 1127 CB VAL A 93 -2.927 10.437 5.789 1.00 0.00 C ATOM 1128 CG1 VAL A 93 -1.765 9.840 6.584 1.00 0.00 C ATOM 1129 CG2 VAL A 93 -2.415 11.269 4.611 1.00 0.00 C ATOM 0 H VAL A 93 -5.273 10.913 5.240 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.465 8.937 4.396 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.480 11.101 6.453 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.098 10.639 6.909 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.153 9.314 7.456 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.214 9.141 5.954 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.735 12.038 4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.888 10.622 3.910 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.257 11.741 4.105 1.00 0.00 H new ATOM 1139 N ARG A 94 -4.864 8.403 7.306 1.00 0.00 N ATOM 1140 CA ARG A 94 -5.089 7.393 8.324 1.00 0.00 C ATOM 1141 C ARG A 94 -5.688 6.132 7.700 1.00 0.00 C ATOM 1142 O ARG A 94 -5.449 5.023 8.176 1.00 0.00 O ATOM 1143 CB ARG A 94 -6.030 7.910 9.415 1.00 0.00 C ATOM 1144 CG ARG A 94 -7.488 7.600 9.073 1.00 0.00 C ATOM 1145 CD ARG A 94 -7.856 6.173 9.482 1.00 0.00 C ATOM 1146 NE ARG A 94 -8.763 6.200 10.651 1.00 0.00 N ATOM 1147 CZ ARG A 94 -10.076 6.452 10.578 1.00 0.00 C ATOM 1148 NH1 ARG A 94 -10.647 6.701 9.390 1.00 0.00 N ATOM 1149 NH2 ARG A 94 -10.822 6.456 11.692 1.00 0.00 N ATOM 0 H ARG A 94 -5.402 9.261 7.430 1.00 0.00 H new ATOM 0 HA ARG A 94 -4.125 7.156 8.773 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.772 7.453 10.370 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.901 8.986 9.532 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.143 8.308 9.581 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.649 7.728 8.003 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.337 5.660 8.649 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.954 5.611 9.724 1.00 0.00 H new ATOM 0 HE ARG A 94 -8.363 6.015 11.571 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.081 6.698 8.542 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.647 6.893 9.335 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.389 6.267 12.596 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.822 6.648 11.635 1.00 0.00 H new ATOM 1163 N THR A 95 -6.458 6.342 6.642 1.00 0.00 N ATOM 1164 CA THR A 95 -7.095 5.237 5.947 1.00 0.00 C ATOM 1165 C THR A 95 -6.144 4.645 4.904 1.00 0.00 C ATOM 1166 O THR A 95 -6.201 3.452 4.611 1.00 0.00 O ATOM 1167 CB THR A 95 -8.408 5.744 5.352 1.00 0.00 C ATOM 1168 OG1 THR A 95 -9.233 5.986 6.490 1.00 0.00 O ATOM 1169 CG2 THR A 95 -9.157 4.661 4.573 1.00 0.00 C ATOM 0 H THR A 95 -6.655 7.262 6.249 1.00 0.00 H new ATOM 0 HA THR A 95 -7.327 4.421 6.632 1.00 0.00 H new ATOM 0 HB THR A 95 -8.205 6.589 4.694 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.106 6.320 6.196 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.082 5.075 4.172 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.533 4.305 3.753 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.390 3.830 5.238 1.00 0.00 H new ATOM 1177 N TYR A 96 -5.291 5.508 4.371 1.00 0.00 N ATOM 1178 CA TYR A 96 -4.330 5.086 3.366 1.00 0.00 C ATOM 1179 C TYR A 96 -3.274 4.158 3.972 1.00 0.00 C ATOM 1180 O TYR A 96 -2.950 3.121 3.397 1.00 0.00 O ATOM 1181 CB TYR A 96 -3.647 6.364 2.874 1.00 0.00 C ATOM 1182 CG TYR A 96 -2.485 6.117 1.909 1.00 0.00 C ATOM 1183 CD1 TYR A 96 -2.736 5.881 0.573 1.00 0.00 C ATOM 1184 CD2 TYR A 96 -1.186 6.128 2.375 1.00 0.00 C ATOM 1185 CE1 TYR A 96 -1.642 5.647 -0.335 1.00 0.00 C ATOM 1186 CE2 TYR A 96 -0.093 5.896 1.469 1.00 0.00 C ATOM 1187 CZ TYR A 96 -0.374 5.666 0.158 1.00 0.00 C ATOM 1188 OH TYR A 96 0.658 5.447 -0.699 1.00 0.00 O ATOM 0 H TYR A 96 -5.246 6.497 4.616 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.828 4.542 2.563 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.388 6.993 2.381 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.278 6.921 3.735 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -3.752 5.872 0.208 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -0.990 6.311 3.421 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.824 5.461 -1.383 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.928 5.904 1.822 1.00 0.00 H new ATOM 0 HH TYR A 96 0.341 5.536 -1.622 1.00 0.00 H new ATOM 1198 N ASN A 97 -2.767 4.567 5.126 1.00 0.00 N ATOM 1199 CA ASN A 97 -1.755 3.786 5.817 1.00 0.00 C ATOM 1200 C ASN A 97 -2.387 2.500 6.351 1.00 0.00 C ATOM 1201 O ASN A 97 -1.765 1.439 6.323 1.00 0.00 O ATOM 1202 CB ASN A 97 -1.177 4.558 7.004 1.00 0.00 C ATOM 1203 CG ASN A 97 0.257 5.010 6.719 1.00 0.00 C ATOM 1204 OD1 ASN A 97 1.188 4.222 6.689 1.00 0.00 O ATOM 1205 ND2 ASN A 97 0.382 6.317 6.512 1.00 0.00 N ATOM 0 H ASN A 97 -3.038 5.429 5.600 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.957 3.566 5.108 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.801 5.427 7.216 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.194 3.929 7.894 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.299 6.716 6.313 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.439 6.920 6.552 1.00 0.00 H new ATOM 1212 N ASP A 98 -3.616 2.635 6.829 1.00 0.00 N ATOM 1213 CA ASP A 98 -4.339 1.498 7.370 1.00 0.00 C ATOM 1214 C ASP A 98 -4.394 0.387 6.319 1.00 0.00 C ATOM 1215 O ASP A 98 -4.291 -0.793 6.653 1.00 0.00 O ATOM 1216 CB ASP A 98 -5.776 1.879 7.729 1.00 0.00 C ATOM 1217 CG ASP A 98 -6.505 0.878 8.628 1.00 0.00 C ATOM 1218 OD1 ASP A 98 -5.819 0.279 9.484 1.00 0.00 O ATOM 1219 OD2 ASP A 98 -7.733 0.735 8.438 1.00 0.00 O ATOM 0 H ASP A 98 -4.129 3.516 6.852 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.819 1.165 8.268 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.765 2.849 8.225 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.345 1.998 6.807 1.00 0.00 H new ATOM 1224 N PHE A 99 -4.554 0.804 5.071 1.00 0.00 N ATOM 1225 CA PHE A 99 -4.623 -0.142 3.970 1.00 0.00 C ATOM 1226 C PHE A 99 -3.249 -0.749 3.682 1.00 0.00 C ATOM 1227 O PHE A 99 -3.103 -1.969 3.636 1.00 0.00 O ATOM 1228 CB PHE A 99 -5.091 0.638 2.740 1.00 0.00 C ATOM 1229 CG PHE A 99 -4.824 -0.075 1.413 1.00 0.00 C ATOM 1230 CD1 PHE A 99 -3.632 0.096 0.778 1.00 0.00 C ATOM 1231 CD2 PHE A 99 -5.776 -0.878 0.867 1.00 0.00 C ATOM 1232 CE1 PHE A 99 -3.384 -0.566 -0.453 1.00 0.00 C ATOM 1233 CE2 PHE A 99 -5.528 -1.538 -0.364 1.00 0.00 C ATOM 1234 CZ PHE A 99 -4.338 -1.368 -0.999 1.00 0.00 C ATOM 0 H PHE A 99 -4.638 1.783 4.798 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.304 -0.955 4.220 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.160 0.830 2.829 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.593 1.608 2.726 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.876 0.735 1.210 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -6.722 -1.013 1.371 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.438 -0.433 -0.956 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.285 -2.176 -0.797 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.150 -1.870 -1.937 1.00 0.00 H new ATOM 1244 N ILE A 100 -2.275 0.131 3.496 1.00 0.00 N ATOM 1245 CA ILE A 100 -0.918 -0.304 3.213 1.00 0.00 C ATOM 1246 C ILE A 100 -0.422 -1.191 4.357 1.00 0.00 C ATOM 1247 O ILE A 100 0.332 -2.136 4.132 1.00 0.00 O ATOM 1248 CB ILE A 100 -0.017 0.901 2.935 1.00 0.00 C ATOM 1249 CG1 ILE A 100 -0.585 1.761 1.804 1.00 0.00 C ATOM 1250 CG2 ILE A 100 1.419 0.458 2.652 1.00 0.00 C ATOM 1251 CD1 ILE A 100 -0.541 1.012 0.470 1.00 0.00 C ATOM 0 H ILE A 100 -2.399 1.143 3.536 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.893 -0.909 2.306 1.00 0.00 H new ATOM 0 HB ILE A 100 0.008 1.522 3.830 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.613 2.039 2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.015 2.686 1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.038 1.334 2.458 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.811 -0.079 3.516 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.433 -0.197 1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.950 1.646 -0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.491 0.757 0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.132 0.099 0.545 1.00 0.00 H new ATOM 1263 N GLU A 101 -0.867 -0.855 5.559 1.00 0.00 N ATOM 1264 CA GLU A 101 -0.477 -1.608 6.738 1.00 0.00 C ATOM 1265 C GLU A 101 -0.827 -3.087 6.561 1.00 0.00 C ATOM 1266 O GLU A 101 -0.031 -3.963 6.900 1.00 0.00 O ATOM 1267 CB GLU A 101 -1.134 -1.037 7.996 1.00 0.00 C ATOM 1268 CG GLU A 101 -0.506 -1.628 9.260 1.00 0.00 C ATOM 1269 CD GLU A 101 -0.865 -0.794 10.492 1.00 0.00 C ATOM 1270 OE1 GLU A 101 -2.082 -0.661 10.752 1.00 0.00 O ATOM 1271 OE2 GLU A 101 0.082 -0.312 11.147 1.00 0.00 O ATOM 0 H GLU A 101 -1.494 -0.071 5.741 1.00 0.00 H new ATOM 0 HA GLU A 101 0.603 -1.521 6.861 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.027 0.048 8.006 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.202 -1.252 7.982 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.851 -2.653 9.397 1.00 0.00 H new ATOM 0 HG3 GLU A 101 0.577 -1.669 9.147 1.00 0.00 H new ATOM 1278 N LYS A 102 -2.018 -3.322 6.032 1.00 0.00 N ATOM 1279 CA LYS A 102 -2.483 -4.681 5.806 1.00 0.00 C ATOM 1280 C LYS A 102 -2.021 -5.150 4.426 1.00 0.00 C ATOM 1281 O LYS A 102 -2.007 -6.348 4.146 1.00 0.00 O ATOM 1282 CB LYS A 102 -3.997 -4.770 6.011 1.00 0.00 C ATOM 1283 CG LYS A 102 -4.355 -5.913 6.963 1.00 0.00 C ATOM 1284 CD LYS A 102 -4.735 -5.376 8.345 1.00 0.00 C ATOM 1285 CE LYS A 102 -5.882 -6.187 8.951 1.00 0.00 C ATOM 1286 NZ LYS A 102 -6.923 -5.285 9.494 1.00 0.00 N ATOM 0 H LYS A 102 -2.676 -2.594 5.753 1.00 0.00 H new ATOM 0 HA LYS A 102 -2.045 -5.360 6.537 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.369 -3.827 6.412 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.489 -4.924 5.051 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -5.185 -6.488 6.551 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -3.509 -6.594 7.053 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.869 -5.415 9.005 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.028 -4.329 8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.316 -6.838 8.192 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -5.501 -6.831 9.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.694 -5.851 9.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -6.509 -4.682 10.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -7.298 -4.688 8.730 1.00 0.00 H new ATOM 1300 N LEU A 103 -1.653 -4.182 3.598 1.00 0.00 N ATOM 1301 CA LEU A 103 -1.192 -4.481 2.253 1.00 0.00 C ATOM 1302 C LEU A 103 0.272 -4.922 2.308 1.00 0.00 C ATOM 1303 O LEU A 103 0.723 -5.696 1.465 1.00 0.00 O ATOM 1304 CB LEU A 103 -1.443 -3.293 1.324 1.00 0.00 C ATOM 1305 CG LEU A 103 -2.326 -3.568 0.105 1.00 0.00 C ATOM 1306 CD1 LEU A 103 -1.765 -4.721 -0.730 1.00 0.00 C ATOM 1307 CD2 LEU A 103 -3.776 -3.817 0.526 1.00 0.00 C ATOM 0 H LEU A 103 -1.665 -3.190 3.834 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.759 -5.310 1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.901 -2.493 1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.480 -2.922 0.974 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.321 -2.681 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.412 -4.896 -1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.763 -4.466 -1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.720 -5.624 -0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.384 -4.010 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.819 -4.680 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.160 -2.939 1.045 1.00 0.00 H new ATOM 1319 N THR A 104 0.975 -4.410 3.309 1.00 0.00 N ATOM 1320 CA THR A 104 2.377 -4.741 3.483 1.00 0.00 C ATOM 1321 C THR A 104 2.575 -5.572 4.753 1.00 0.00 C ATOM 1322 O THR A 104 3.434 -6.452 4.796 1.00 0.00 O ATOM 1323 CB THR A 104 3.176 -3.435 3.483 1.00 0.00 C ATOM 1324 OG1 THR A 104 2.607 -2.681 4.551 1.00 0.00 O ATOM 1325 CG2 THR A 104 2.904 -2.585 2.240 1.00 0.00 C ATOM 0 H THR A 104 0.598 -3.769 4.007 1.00 0.00 H new ATOM 0 HA THR A 104 2.740 -5.362 2.664 1.00 0.00 H new ATOM 0 HB THR A 104 4.241 -3.659 3.544 1.00 0.00 H new ATOM 0 HG1 THR A 104 1.829 -2.183 4.222 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.495 -1.670 2.288 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.179 -3.147 1.348 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.845 -2.331 2.197 1.00 0.00 H new ATOM 1333 N GLY A 105 1.766 -5.263 5.756 1.00 0.00 N ATOM 1334 CA GLY A 105 1.841 -5.971 7.023 1.00 0.00 C ATOM 1335 C GLY A 105 2.771 -5.249 8.000 1.00 0.00 C ATOM 1336 O GLY A 105 2.630 -5.386 9.214 1.00 0.00 O ATOM 0 H GLY A 105 1.056 -4.532 5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.845 -6.053 7.457 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.201 -6.986 6.856 1.00 0.00 H new ATOM 1340 N TYR A 106 3.704 -4.498 7.434 1.00 0.00 N ATOM 1341 CA TYR A 106 4.658 -3.753 8.239 1.00 0.00 C ATOM 1342 C TYR A 106 4.033 -2.465 8.778 1.00 0.00 C ATOM 1343 O TYR A 106 3.518 -1.652 8.013 1.00 0.00 O ATOM 1344 CB TYR A 106 5.811 -3.393 7.301 1.00 0.00 C ATOM 1345 CG TYR A 106 6.929 -4.437 7.258 1.00 0.00 C ATOM 1346 CD1 TYR A 106 6.865 -5.478 6.354 1.00 0.00 C ATOM 1347 CD2 TYR A 106 7.998 -4.340 8.124 1.00 0.00 C ATOM 1348 CE1 TYR A 106 7.917 -6.463 6.313 1.00 0.00 C ATOM 1349 CE2 TYR A 106 9.049 -5.323 8.084 1.00 0.00 C ATOM 1350 CZ TYR A 106 8.956 -6.335 7.180 1.00 0.00 C ATOM 1351 OH TYR A 106 9.949 -7.265 7.142 1.00 0.00 O ATOM 0 H TYR A 106 3.820 -4.389 6.426 1.00 0.00 H new ATOM 0 HA TYR A 106 4.984 -4.346 9.094 1.00 0.00 H new ATOM 0 HB2 TYR A 106 5.417 -3.256 6.294 1.00 0.00 H new ATOM 0 HB3 TYR A 106 6.233 -2.437 7.611 1.00 0.00 H new ATOM 0 HD1 TYR A 106 6.027 -5.555 5.677 1.00 0.00 H new ATOM 0 HD2 TYR A 106 8.047 -3.526 8.832 1.00 0.00 H new ATOM 0 HE1 TYR A 106 7.880 -7.283 5.611 1.00 0.00 H new ATOM 0 HE2 TYR A 106 9.892 -5.258 8.756 1.00 0.00 H new ATOM 0 HH TYR A 106 10.627 -7.048 7.816 1.00 0.00 H new ATOM 1361 N SER A 107 4.098 -2.320 10.094 1.00 0.00 N ATOM 1362 CA SER A 107 3.545 -1.144 10.745 1.00 0.00 C ATOM 1363 C SER A 107 4.556 0.004 10.699 1.00 0.00 C ATOM 1364 O SER A 107 5.746 -0.222 10.493 1.00 0.00 O ATOM 1365 CB SER A 107 3.154 -1.448 12.193 1.00 0.00 C ATOM 1366 OG SER A 107 2.064 -0.645 12.632 1.00 0.00 O ATOM 0 H SER A 107 4.525 -2.997 10.726 1.00 0.00 H new ATOM 0 HA SER A 107 2.644 -0.848 10.208 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.887 -2.501 12.283 1.00 0.00 H new ATOM 0 HB3 SER A 107 4.013 -1.280 12.843 1.00 0.00 H new ATOM 0 HG SER A 107 1.265 -0.863 12.108 1.00 0.00 H new ATOM 1372 N ALA A 108 4.043 1.210 10.892 1.00 0.00 N ATOM 1373 CA ALA A 108 4.885 2.393 10.874 1.00 0.00 C ATOM 1374 C ALA A 108 5.873 2.328 12.041 1.00 0.00 C ATOM 1375 O ALA A 108 6.911 2.989 12.019 1.00 0.00 O ATOM 1376 CB ALA A 108 4.007 3.645 10.922 1.00 0.00 C ATOM 0 H ALA A 108 3.054 1.393 11.062 1.00 0.00 H new ATOM 0 HA ALA A 108 5.466 2.437 9.953 1.00 0.00 H new ATOM 0 HB1 ALA A 108 4.639 4.533 10.909 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.344 3.658 10.057 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.412 3.637 11.835 1.00 0.00 H new ATOM 1382 N LYS A 109 5.515 1.527 13.033 1.00 0.00 N ATOM 1383 CA LYS A 109 6.357 1.367 14.207 1.00 0.00 C ATOM 1384 C LYS A 109 7.584 0.532 13.839 1.00 0.00 C ATOM 1385 O LYS A 109 8.707 0.879 14.201 1.00 0.00 O ATOM 1386 CB LYS A 109 5.548 0.792 15.372 1.00 0.00 C ATOM 1387 CG LYS A 109 5.224 1.875 16.402 1.00 0.00 C ATOM 1388 CD LYS A 109 6.258 1.888 17.529 1.00 0.00 C ATOM 1389 CE LYS A 109 6.063 0.696 18.466 1.00 0.00 C ATOM 1390 NZ LYS A 109 5.051 1.010 19.499 1.00 0.00 N ATOM 0 H LYS A 109 4.653 0.981 13.049 1.00 0.00 H new ATOM 0 HA LYS A 109 6.721 2.335 14.550 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.623 0.354 14.996 1.00 0.00 H new ATOM 0 HB3 LYS A 109 6.110 -0.011 15.848 1.00 0.00 H new ATOM 0 HG2 LYS A 109 5.200 2.850 15.915 1.00 0.00 H new ATOM 0 HG3 LYS A 109 4.231 1.702 16.817 1.00 0.00 H new ATOM 0 HD2 LYS A 109 7.262 1.862 17.106 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.174 2.816 18.094 1.00 0.00 H new ATOM 0 HE2 LYS A 109 5.748 -0.177 17.894 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.010 0.441 18.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 4.930 0.190 20.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.366 1.830 20.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 4.144 1.231 19.041 1.00 0.00 H new ATOM 1404 N GLU A 110 7.329 -0.554 13.123 1.00 0.00 N ATOM 1405 CA GLU A 110 8.399 -1.442 12.702 1.00 0.00 C ATOM 1406 C GLU A 110 9.103 -0.876 11.466 1.00 0.00 C ATOM 1407 O GLU A 110 10.305 -1.066 11.291 1.00 0.00 O ATOM 1408 CB GLU A 110 7.869 -2.851 12.434 1.00 0.00 C ATOM 1409 CG GLU A 110 6.905 -2.857 11.245 1.00 0.00 C ATOM 1410 CD GLU A 110 6.408 -4.275 10.951 1.00 0.00 C ATOM 1411 OE1 GLU A 110 7.224 -5.066 10.430 1.00 0.00 O ATOM 1412 OE2 GLU A 110 5.224 -4.534 11.253 1.00 0.00 O ATOM 0 H GLU A 110 6.396 -0.839 12.824 1.00 0.00 H new ATOM 0 HA GLU A 110 9.126 -1.511 13.511 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.702 -3.525 12.235 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.360 -3.227 13.321 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.056 -2.207 11.457 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.405 -2.453 10.365 1.00 0.00 H new ATOM 1419 N ARG A 111 8.323 -0.193 10.642 1.00 0.00 N ATOM 1420 CA ARG A 111 8.855 0.402 9.428 1.00 0.00 C ATOM 1421 C ARG A 111 10.098 1.235 9.746 1.00 0.00 C ATOM 1422 O ARG A 111 11.040 1.281 8.955 1.00 0.00 O ATOM 1423 CB ARG A 111 7.813 1.292 8.746 1.00 0.00 C ATOM 1424 CG ARG A 111 7.947 2.744 9.208 1.00 0.00 C ATOM 1425 CD ARG A 111 9.074 3.456 8.458 1.00 0.00 C ATOM 1426 NE ARG A 111 8.607 4.776 7.978 1.00 0.00 N ATOM 1427 CZ ARG A 111 7.801 4.948 6.921 1.00 0.00 C ATOM 1428 NH1 ARG A 111 7.366 3.886 6.230 1.00 0.00 N ATOM 1429 NH2 ARG A 111 7.428 6.182 6.557 1.00 0.00 N ATOM 0 H ARG A 111 7.326 -0.038 10.791 1.00 0.00 H new ATOM 0 HA ARG A 111 9.120 -0.410 8.751 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.935 1.238 7.664 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.812 0.925 8.972 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.007 3.270 9.043 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.144 2.772 10.280 1.00 0.00 H new ATOM 0 HD2 ARG A 111 9.935 3.582 9.114 1.00 0.00 H new ATOM 0 HD3 ARG A 111 9.402 2.848 7.615 1.00 0.00 H new ATOM 0 HE ARG A 111 8.918 5.606 8.483 1.00 0.00 H new ATOM 0 HH11 ARG A 111 7.648 2.946 6.508 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.753 4.017 5.426 1.00 0.00 H new ATOM 0 HH21 ARG A 111 7.757 6.991 7.084 1.00 0.00 H new ATOM 0 HH22 ARG A 111 6.815 6.313 5.753 1.00 0.00 H new ATOM 1443 N LYS A 112 10.061 1.875 10.907 1.00 0.00 N ATOM 1444 CA LYS A 112 11.173 2.705 11.339 1.00 0.00 C ATOM 1445 C LYS A 112 12.471 1.898 11.250 1.00 0.00 C ATOM 1446 O LYS A 112 13.556 2.470 11.154 1.00 0.00 O ATOM 1447 CB LYS A 112 10.902 3.281 12.729 1.00 0.00 C ATOM 1448 CG LYS A 112 11.109 4.797 12.744 1.00 0.00 C ATOM 1449 CD LYS A 112 10.831 5.375 14.134 1.00 0.00 C ATOM 1450 CE LYS A 112 9.507 6.142 14.154 1.00 0.00 C ATOM 1451 NZ LYS A 112 9.748 7.595 14.001 1.00 0.00 N ATOM 0 H LYS A 112 9.279 1.835 11.561 1.00 0.00 H new ATOM 0 HA LYS A 112 11.286 3.565 10.679 1.00 0.00 H new ATOM 0 HB2 LYS A 112 9.881 3.047 13.031 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.565 2.813 13.456 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.131 5.031 12.447 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.450 5.265 12.013 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.800 4.569 14.867 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.645 6.039 14.425 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.862 5.788 13.350 1.00 0.00 H new ATOM 0 HE3 LYS A 112 8.983 5.951 15.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.840 8.101 14.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.346 7.932 14.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.228 7.774 13.096 1.00 0.00 H new ATOM 1465 N LYS A 113 12.316 0.583 11.285 1.00 0.00 N ATOM 1466 CA LYS A 113 13.461 -0.307 11.210 1.00 0.00 C ATOM 1467 C LYS A 113 14.386 0.152 10.080 1.00 0.00 C ATOM 1468 O LYS A 113 15.606 0.038 10.186 1.00 0.00 O ATOM 1469 CB LYS A 113 13.002 -1.761 11.077 1.00 0.00 C ATOM 1470 CG LYS A 113 12.568 -2.324 12.432 1.00 0.00 C ATOM 1471 CD LYS A 113 13.338 -3.603 12.767 1.00 0.00 C ATOM 1472 CE LYS A 113 12.764 -4.277 14.014 1.00 0.00 C ATOM 1473 NZ LYS A 113 13.232 -3.589 15.238 1.00 0.00 N ATOM 0 H LYS A 113 11.414 0.113 11.364 1.00 0.00 H new ATOM 0 HA LYS A 113 14.039 -0.263 12.133 1.00 0.00 H new ATOM 0 HB2 LYS A 113 12.173 -1.822 10.371 1.00 0.00 H new ATOM 0 HB3 LYS A 113 13.812 -2.366 10.670 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.737 -1.579 13.210 1.00 0.00 H new ATOM 0 HG3 LYS A 113 11.498 -2.533 12.417 1.00 0.00 H new ATOM 0 HD2 LYS A 113 13.292 -4.291 11.923 1.00 0.00 H new ATOM 0 HD3 LYS A 113 14.390 -3.367 12.928 1.00 0.00 H new ATOM 0 HE2 LYS A 113 11.675 -4.261 13.975 1.00 0.00 H new ATOM 0 HE3 LYS A 113 13.066 -5.324 14.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 12.833 -4.060 16.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 14.270 -3.627 15.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 12.922 -2.596 15.218 1.00 0.00 H new ATOM 1487 N MET A 114 13.768 0.659 9.024 1.00 0.00 N ATOM 1488 CA MET A 114 14.519 1.136 7.874 1.00 0.00 C ATOM 1489 C MET A 114 15.388 2.340 8.249 1.00 0.00 C ATOM 1490 O MET A 114 16.501 2.485 7.746 1.00 0.00 O ATOM 1491 CB MET A 114 13.550 1.532 6.759 1.00 0.00 C ATOM 1492 CG MET A 114 12.603 0.379 6.422 1.00 0.00 C ATOM 1493 SD MET A 114 12.196 0.413 4.683 1.00 0.00 S ATOM 1494 CE MET A 114 10.478 0.884 4.776 1.00 0.00 C ATOM 0 H MET A 114 12.756 0.750 8.940 1.00 0.00 H new ATOM 0 HA MET A 114 15.171 0.333 7.531 1.00 0.00 H new ATOM 0 HB2 MET A 114 12.973 2.404 7.067 1.00 0.00 H new ATOM 0 HB3 MET A 114 14.111 1.819 5.869 1.00 0.00 H new ATOM 0 HG2 MET A 114 13.070 -0.573 6.676 1.00 0.00 H new ATOM 0 HG3 MET A 114 11.694 0.458 7.018 1.00 0.00 H new ATOM 0 HE1 MET A 114 10.046 0.883 3.775 1.00 0.00 H new ATOM 0 HE2 MET A 114 9.940 0.175 5.405 1.00 0.00 H new ATOM 0 HE3 MET A 114 10.397 1.883 5.205 1.00 0.00 H new ATOM 1504 N MET A 115 14.845 3.169 9.127 1.00 0.00 N ATOM 1505 CA MET A 115 15.557 4.355 9.573 1.00 0.00 C ATOM 1506 C MET A 115 16.620 3.998 10.614 1.00 0.00 C ATOM 1507 O MET A 115 17.761 4.446 10.520 1.00 0.00 O ATOM 1508 CB MET A 115 14.563 5.349 10.179 1.00 0.00 C ATOM 1509 CG MET A 115 15.290 6.441 10.965 1.00 0.00 C ATOM 1510 SD MET A 115 14.694 8.050 10.470 1.00 0.00 S ATOM 1511 CE MET A 115 15.818 8.397 9.127 1.00 0.00 C ATOM 0 H MET A 115 13.921 3.044 9.542 1.00 0.00 H new ATOM 0 HA MET A 115 16.054 4.802 8.712 1.00 0.00 H new ATOM 0 HB2 MET A 115 13.967 5.802 9.386 1.00 0.00 H new ATOM 0 HB3 MET A 115 13.871 4.822 10.836 1.00 0.00 H new ATOM 0 HG2 MET A 115 15.131 6.298 12.034 1.00 0.00 H new ATOM 0 HG3 MET A 115 16.364 6.372 10.791 1.00 0.00 H new ATOM 0 HE1 MET A 115 15.585 9.373 8.700 1.00 0.00 H new ATOM 0 HE2 MET A 115 16.842 8.400 9.501 1.00 0.00 H new ATOM 0 HE3 MET A 115 15.714 7.631 8.359 1.00 0.00 H new ATOM 1521 N THR A 116 16.207 3.194 11.582 1.00 0.00 N ATOM 1522 CA THR A 116 17.109 2.770 12.641 1.00 0.00 C ATOM 1523 C THR A 116 17.432 1.283 12.502 1.00 0.00 C ATOM 1524 O THR A 116 16.769 0.441 13.108 1.00 0.00 O ATOM 1525 CB THR A 116 16.468 3.131 13.982 1.00 0.00 C ATOM 1526 OG1 THR A 116 16.291 4.544 13.912 1.00 0.00 O ATOM 1527 CG2 THR A 116 17.424 2.933 15.160 1.00 0.00 C ATOM 0 H THR A 116 15.259 2.824 11.656 1.00 0.00 H new ATOM 0 HA THR A 116 18.067 3.286 12.574 1.00 0.00 H new ATOM 0 HB THR A 116 15.575 2.524 14.133 1.00 0.00 H new ATOM 0 HG1 THR A 116 15.878 4.863 14.742 1.00 0.00 H new ATOM 0 HG21 THR A 116 16.919 3.203 16.088 1.00 0.00 H new ATOM 0 HG22 THR A 116 17.733 1.889 15.206 1.00 0.00 H new ATOM 0 HG23 THR A 116 18.302 3.566 15.027 1.00 0.00 H new ATOM 1535 N LYS A 117 18.449 1.000 11.701 1.00 0.00 N ATOM 1536 CA LYS A 117 18.868 -0.372 11.476 1.00 0.00 C ATOM 1537 C LYS A 117 19.933 -0.751 12.507 1.00 0.00 C ATOM 1538 O LYS A 117 20.479 0.114 13.189 1.00 0.00 O ATOM 1539 CB LYS A 117 19.320 -0.564 10.026 1.00 0.00 C ATOM 1540 CG LYS A 117 20.692 0.069 9.792 1.00 0.00 C ATOM 1541 CD LYS A 117 20.853 0.504 8.334 1.00 0.00 C ATOM 1542 CE LYS A 117 20.888 2.029 8.216 1.00 0.00 C ATOM 1543 NZ LYS A 117 22.278 2.525 8.325 1.00 0.00 N ATOM 0 H LYS A 117 18.996 1.700 11.199 1.00 0.00 H new ATOM 0 HA LYS A 117 18.030 -1.054 11.617 1.00 0.00 H new ATOM 0 HB2 LYS A 117 19.362 -1.628 9.792 1.00 0.00 H new ATOM 0 HB3 LYS A 117 18.590 -0.117 9.351 1.00 0.00 H new ATOM 0 HG2 LYS A 117 20.816 0.931 10.448 1.00 0.00 H new ATOM 0 HG3 LYS A 117 21.475 -0.644 10.051 1.00 0.00 H new ATOM 0 HD2 LYS A 117 21.771 0.083 7.925 1.00 0.00 H new ATOM 0 HD3 LYS A 117 20.029 0.109 7.740 1.00 0.00 H new ATOM 0 HE2 LYS A 117 20.460 2.336 7.262 1.00 0.00 H new ATOM 0 HE3 LYS A 117 20.274 2.475 8.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 22.284 3.562 8.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 22.674 2.248 9.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 22.854 2.114 7.563 1.00 0.00 H new ATOM 1557 N ASP A 118 20.198 -2.047 12.588 1.00 0.00 N ATOM 1558 CA ASP A 118 21.188 -2.553 13.524 1.00 0.00 C ATOM 1559 C ASP A 118 22.589 -2.263 12.982 1.00 0.00 C ATOM 1560 O ASP A 118 23.578 -2.416 13.697 1.00 0.00 O ATOM 1561 CB ASP A 118 21.053 -4.066 13.704 1.00 0.00 C ATOM 1562 CG ASP A 118 21.981 -4.676 14.757 1.00 0.00 C ATOM 1563 OD1 ASP A 118 23.207 -4.652 14.515 1.00 0.00 O ATOM 1564 OD2 ASP A 118 21.443 -5.152 15.779 1.00 0.00 O ATOM 1565 OXT ASP A 118 22.741 -1.821 11.663 1.00 0.00 O ATOM 0 H ASP A 118 19.744 -2.762 12.020 1.00 0.00 H new ATOM 0 HA ASP A 118 21.029 -2.061 14.484 1.00 0.00 H new ATOM 0 HB2 ASP A 118 20.022 -4.294 13.974 1.00 0.00 H new ATOM 0 HB3 ASP A 118 21.247 -4.550 12.747 1.00 0.00 H new TER 1570 ASP A 118