USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 642 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 144:sc= -0.0292 (180deg=-0.94) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.171) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0446 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.585 USER MOD Single : A 20 SER OG : rot 117:sc= 1.55 USER MOD Single : A 22 HIS : no HD1:sc= -2.71 X(o=-2.7,f=-2.9!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -3.54! K(o=-3.5!,f=-2.5) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0122 USER MOD Single : A 38 THR OG1 : rot -150:sc= -3.58! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -175:sc= -1.2 (180deg=-1.25) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.43 K(o=-1.4,f=-5.1!) USER MOD Single : A 50 SER OG : rot 111:sc= 0.0698 USER MOD Single : A 52 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.204) USER MOD Single : A 54 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.0584) USER MOD Single : A 55 GLN : amide:sc= -0.467 X(o=-0.47,f=-0.32) USER MOD Single : A 57 TYR OH : rot -158:sc= 1.24 USER MOD Single : A 59 GLN : amide:sc= -0.0341 X(o=-0.034,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00249) USER MOD Single : A 68 TYR OH : rot 130:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -136:sc= -0.0182 (180deg=-0.217) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.959 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.518 18.080 -5.336 1.00 0.00 N ATOM 2 CA MET A 1 -9.164 17.804 -4.770 1.00 0.00 C ATOM 3 C MET A 1 -8.656 19.023 -3.992 1.00 0.00 C ATOM 4 O MET A 1 -9.061 20.142 -4.243 1.00 0.00 O ATOM 5 CB MET A 1 -8.268 17.521 -5.983 1.00 0.00 C ATOM 6 CG MET A 1 -8.272 18.725 -6.931 1.00 0.00 C ATOM 7 SD MET A 1 -7.023 18.480 -8.219 1.00 0.00 S ATOM 8 CE MET A 1 -8.089 17.634 -9.412 1.00 0.00 C ATOM 0 H1 MET A 1 -10.605 17.623 -6.266 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.245 17.703 -4.696 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.648 19.107 -5.441 1.00 0.00 H new ATOM 0 HA MET A 1 -9.173 16.966 -4.073 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.251 17.311 -5.653 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.622 16.634 -6.508 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.257 18.843 -7.382 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.063 19.640 -6.376 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.512 17.385 -10.303 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.481 16.720 -8.966 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.917 18.287 -9.687 1.00 0.00 H new ATOM 20 N LYS A 2 -7.773 18.809 -3.049 1.00 0.00 N ATOM 21 CA LYS A 2 -7.232 19.949 -2.249 1.00 0.00 C ATOM 22 C LYS A 2 -5.727 19.776 -2.031 1.00 0.00 C ATOM 23 O LYS A 2 -5.197 20.131 -0.996 1.00 0.00 O ATOM 24 CB LYS A 2 -7.978 19.883 -0.915 1.00 0.00 C ATOM 25 CG LYS A 2 -9.369 20.499 -1.076 1.00 0.00 C ATOM 26 CD LYS A 2 -9.264 22.024 -1.008 1.00 0.00 C ATOM 27 CE LYS A 2 -9.105 22.460 0.450 1.00 0.00 C ATOM 28 NZ LYS A 2 -9.069 23.948 0.404 1.00 0.00 N ATOM 0 H LYS A 2 -7.403 17.892 -2.799 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.371 20.908 -2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.063 18.848 -0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.419 20.417 -0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.804 20.196 -2.028 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.033 20.134 -0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -8.413 22.367 -1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.155 22.480 -1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -9.934 22.104 1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -8.191 22.056 0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -8.961 24.323 1.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -8.266 24.258 -0.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -9.955 24.304 -0.009 1.00 0.00 H new ATOM 42 N LYS A 3 -5.038 19.232 -3.003 1.00 0.00 N ATOM 43 CA LYS A 3 -3.566 19.032 -2.863 1.00 0.00 C ATOM 44 C LYS A 3 -2.808 20.138 -3.604 1.00 0.00 C ATOM 45 O LYS A 3 -3.103 20.446 -4.743 1.00 0.00 O ATOM 46 CB LYS A 3 -3.288 17.669 -3.504 1.00 0.00 C ATOM 47 CG LYS A 3 -1.882 17.184 -3.115 1.00 0.00 C ATOM 48 CD LYS A 3 -1.979 15.850 -2.368 1.00 0.00 C ATOM 49 CE LYS A 3 -2.370 16.108 -0.910 1.00 0.00 C ATOM 50 NZ LYS A 3 -2.379 14.763 -0.272 1.00 0.00 N ATOM 0 H LYS A 3 -5.434 18.918 -3.889 1.00 0.00 H new ATOM 0 HA LYS A 3 -3.242 19.067 -1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.035 16.945 -3.178 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.369 17.744 -4.588 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.268 17.067 -4.008 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -1.392 17.928 -2.487 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.718 15.207 -2.845 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.024 15.326 -2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.657 16.772 -0.421 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.348 16.584 -0.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.402 14.870 0.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.219 14.236 -0.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.522 14.242 -0.547 1.00 0.00 H new ATOM 64 N ASP A 4 -1.837 20.734 -2.962 1.00 0.00 N ATOM 65 CA ASP A 4 -1.053 21.823 -3.619 1.00 0.00 C ATOM 66 C ASP A 4 0.326 21.299 -4.050 1.00 0.00 C ATOM 67 O ASP A 4 0.697 20.196 -3.697 1.00 0.00 O ATOM 68 CB ASP A 4 -0.904 22.905 -2.548 1.00 0.00 C ATOM 69 CG ASP A 4 -1.993 23.963 -2.734 1.00 0.00 C ATOM 70 OD1 ASP A 4 -2.087 24.503 -3.823 1.00 0.00 O ATOM 71 OD2 ASP A 4 -2.716 24.215 -1.784 1.00 0.00 O ATOM 0 H ASP A 4 -1.552 20.513 -2.008 1.00 0.00 H new ATOM 0 HA ASP A 4 -1.543 22.201 -4.516 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -0.979 22.461 -1.555 1.00 0.00 H new ATOM 0 HB3 ASP A 4 0.081 23.366 -2.617 1.00 0.00 H new ATOM 76 N PRO A 5 1.049 22.101 -4.803 1.00 0.00 N ATOM 77 CA PRO A 5 2.395 21.680 -5.269 1.00 0.00 C ATOM 78 C PRO A 5 3.391 21.690 -4.104 1.00 0.00 C ATOM 79 O PRO A 5 4.347 20.937 -4.089 1.00 0.00 O ATOM 80 CB PRO A 5 2.764 22.734 -6.311 1.00 0.00 C ATOM 81 CG PRO A 5 1.964 23.941 -5.941 1.00 0.00 C ATOM 82 CD PRO A 5 0.701 23.448 -5.287 1.00 0.00 C ATOM 0 HA PRO A 5 2.410 20.668 -5.673 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.833 22.948 -6.294 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.523 22.394 -7.318 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.525 24.582 -5.261 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.734 24.537 -6.824 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.396 24.099 -4.468 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.128 23.416 -5.994 1.00 0.00 H new ATOM 90 N ASN A 6 3.169 22.536 -3.132 1.00 0.00 N ATOM 91 CA ASN A 6 4.096 22.601 -1.961 1.00 0.00 C ATOM 92 C ASN A 6 3.801 21.451 -0.993 1.00 0.00 C ATOM 93 O ASN A 6 4.690 20.925 -0.351 1.00 0.00 O ATOM 94 CB ASN A 6 3.808 23.949 -1.298 1.00 0.00 C ATOM 95 CG ASN A 6 4.478 25.066 -2.101 1.00 0.00 C ATOM 96 OD1 ASN A 6 5.661 25.305 -1.963 1.00 0.00 O ATOM 97 ND2 ASN A 6 3.765 25.766 -2.942 1.00 0.00 N ATOM 0 H ASN A 6 2.384 23.187 -3.098 1.00 0.00 H new ATOM 0 HA ASN A 6 5.141 22.510 -2.256 1.00 0.00 H new ATOM 0 HB2 ASN A 6 2.733 24.119 -1.246 1.00 0.00 H new ATOM 0 HB3 ASN A 6 4.180 23.949 -0.274 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.202 26.513 -3.482 1.00 0.00 H new ATOM 0 HD22 ASN A 6 2.772 25.566 -3.058 1.00 0.00 H new ATOM 104 N ALA A 7 2.556 21.059 -0.892 1.00 0.00 N ATOM 105 CA ALA A 7 2.190 19.938 0.030 1.00 0.00 C ATOM 106 C ALA A 7 2.804 18.621 -0.467 1.00 0.00 C ATOM 107 O ALA A 7 3.156 18.510 -1.625 1.00 0.00 O ATOM 108 CB ALA A 7 0.662 19.864 -0.016 1.00 0.00 C ATOM 0 H ALA A 7 1.776 21.466 -1.408 1.00 0.00 H new ATOM 0 HA ALA A 7 2.560 20.102 1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.317 19.063 0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.242 20.812 0.319 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.338 19.665 -1.037 1.00 0.00 H new ATOM 114 N PRO A 8 2.910 17.656 0.419 1.00 0.00 N ATOM 115 CA PRO A 8 3.479 16.351 0.044 1.00 0.00 C ATOM 116 C PRO A 8 2.443 15.479 -0.669 1.00 0.00 C ATOM 117 O PRO A 8 1.251 15.692 -0.549 1.00 0.00 O ATOM 118 CB PRO A 8 3.919 15.741 1.354 1.00 0.00 C ATOM 119 CG PRO A 8 3.126 16.421 2.406 1.00 0.00 C ATOM 120 CD PRO A 8 2.517 17.677 1.827 1.00 0.00 C ATOM 0 HA PRO A 8 4.307 16.444 -0.659 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.740 14.666 1.364 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.987 15.888 1.514 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.343 15.758 2.775 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.762 16.668 3.256 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.433 17.680 1.937 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.891 18.568 2.331 1.00 0.00 H new ATOM 128 N LYS A 9 2.894 14.504 -1.415 1.00 0.00 N ATOM 129 CA LYS A 9 1.944 13.613 -2.152 1.00 0.00 C ATOM 130 C LYS A 9 1.117 12.778 -1.174 1.00 0.00 C ATOM 131 O LYS A 9 1.161 12.976 0.025 1.00 0.00 O ATOM 132 CB LYS A 9 2.829 12.706 -3.011 1.00 0.00 C ATOM 133 CG LYS A 9 3.424 13.517 -4.162 1.00 0.00 C ATOM 134 CD LYS A 9 4.209 12.588 -5.090 1.00 0.00 C ATOM 135 CE LYS A 9 3.234 11.752 -5.922 1.00 0.00 C ATOM 136 NZ LYS A 9 4.096 10.836 -6.719 1.00 0.00 N ATOM 0 H LYS A 9 3.881 14.285 -1.547 1.00 0.00 H new ATOM 0 HA LYS A 9 1.237 14.185 -2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.626 12.277 -2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.244 11.874 -3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.630 14.017 -4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.079 14.296 -3.771 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.854 13.173 -5.746 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.857 11.935 -4.505 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.549 11.194 -5.284 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.625 12.383 -6.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.499 10.229 -7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.733 11.395 -7.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.659 10.243 -6.077 1.00 0.00 H new ATOM 150 N ARG A 10 0.364 11.845 -1.692 1.00 0.00 N ATOM 151 CA ARG A 10 -0.478 10.977 -0.816 1.00 0.00 C ATOM 152 C ARG A 10 0.361 9.805 -0.276 1.00 0.00 C ATOM 153 O ARG A 10 1.154 9.241 -1.002 1.00 0.00 O ATOM 154 CB ARG A 10 -1.596 10.464 -1.724 1.00 0.00 C ATOM 155 CG ARG A 10 -2.487 11.634 -2.147 1.00 0.00 C ATOM 156 CD ARG A 10 -3.741 11.098 -2.840 1.00 0.00 C ATOM 157 NE ARG A 10 -4.599 10.583 -1.739 1.00 0.00 N ATOM 158 CZ ARG A 10 -5.511 11.351 -1.209 1.00 0.00 C ATOM 159 NH1 ARG A 10 -6.586 11.652 -1.886 1.00 0.00 N ATOM 160 NH2 ARG A 10 -5.348 11.821 -0.002 1.00 0.00 N ATOM 0 H ARG A 10 0.295 11.645 -2.690 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.871 11.514 0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.171 9.980 -2.603 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.188 9.713 -1.201 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.766 12.226 -1.275 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.941 12.295 -2.820 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.248 11.883 -3.401 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.493 10.308 -3.549 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.474 9.630 -1.399 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.713 11.287 -2.830 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.299 12.252 -1.471 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.508 11.588 0.527 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.061 12.421 0.412 1.00 0.00 H new ATOM 174 N PRO A 11 0.170 9.469 0.985 1.00 0.00 N ATOM 175 CA PRO A 11 0.942 8.352 1.584 1.00 0.00 C ATOM 176 C PRO A 11 0.402 6.998 1.090 1.00 0.00 C ATOM 177 O PRO A 11 -0.796 6.821 0.991 1.00 0.00 O ATOM 178 CB PRO A 11 0.704 8.511 3.083 1.00 0.00 C ATOM 179 CG PRO A 11 -0.596 9.240 3.199 1.00 0.00 C ATOM 180 CD PRO A 11 -0.756 10.077 1.957 1.00 0.00 C ATOM 0 HA PRO A 11 1.999 8.376 1.319 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.657 7.542 3.579 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.513 9.071 3.553 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.423 8.537 3.297 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.605 9.869 4.089 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.783 10.057 1.594 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.505 11.121 2.146 1.00 0.00 H new ATOM 188 N PRO A 12 1.296 6.073 0.800 1.00 0.00 N ATOM 189 CA PRO A 12 0.860 4.736 0.324 1.00 0.00 C ATOM 190 C PRO A 12 0.267 3.935 1.486 1.00 0.00 C ATOM 191 O PRO A 12 0.010 4.472 2.547 1.00 0.00 O ATOM 192 CB PRO A 12 2.149 4.091 -0.177 1.00 0.00 C ATOM 193 CG PRO A 12 3.243 4.777 0.574 1.00 0.00 C ATOM 194 CD PRO A 12 2.764 6.171 0.880 1.00 0.00 C ATOM 0 HA PRO A 12 0.090 4.783 -0.446 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.153 3.018 0.013 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.265 4.225 -1.253 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.475 4.239 1.493 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.158 4.805 -0.018 1.00 0.00 H new ATOM 0 HD2 PRO A 12 3.088 6.496 1.869 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.155 6.893 0.163 1.00 0.00 H new ATOM 202 N SER A 13 0.045 2.657 1.296 1.00 0.00 N ATOM 203 CA SER A 13 -0.536 1.827 2.393 1.00 0.00 C ATOM 204 C SER A 13 -0.410 0.337 2.075 1.00 0.00 C ATOM 205 O SER A 13 -1.342 -0.420 2.264 1.00 0.00 O ATOM 206 CB SER A 13 -2.006 2.237 2.463 1.00 0.00 C ATOM 207 OG SER A 13 -2.611 2.033 1.193 1.00 0.00 O ATOM 0 H SER A 13 0.241 2.155 0.430 1.00 0.00 H new ATOM 0 HA SER A 13 -0.018 1.986 3.339 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.523 1.652 3.223 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.090 3.284 2.755 1.00 0.00 H new ATOM 0 HG SER A 13 -3.555 2.293 1.235 1.00 0.00 H new ATOM 213 N ALA A 14 0.727 -0.090 1.566 1.00 0.00 N ATOM 214 CA ALA A 14 0.928 -1.534 1.200 1.00 0.00 C ATOM 215 C ALA A 14 0.076 -1.872 -0.019 1.00 0.00 C ATOM 216 O ALA A 14 0.590 -2.037 -1.110 1.00 0.00 O ATOM 217 CB ALA A 14 0.519 -2.384 2.416 1.00 0.00 C ATOM 0 H ALA A 14 1.533 0.508 1.387 1.00 0.00 H new ATOM 0 HA ALA A 14 1.968 -1.737 0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.653 -3.440 2.183 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.141 -2.119 3.271 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.527 -2.195 2.656 1.00 0.00 H new ATOM 223 N PHE A 15 -1.220 -1.979 0.145 1.00 0.00 N ATOM 224 CA PHE A 15 -2.097 -2.312 -1.024 1.00 0.00 C ATOM 225 C PHE A 15 -1.927 -1.267 -2.131 1.00 0.00 C ATOM 226 O PHE A 15 -2.121 -1.553 -3.297 1.00 0.00 O ATOM 227 CB PHE A 15 -3.532 -2.286 -0.480 1.00 0.00 C ATOM 228 CG PHE A 15 -4.500 -2.665 -1.581 1.00 0.00 C ATOM 229 CD1 PHE A 15 -4.838 -1.730 -2.569 1.00 0.00 C ATOM 230 CD2 PHE A 15 -5.054 -3.949 -1.616 1.00 0.00 C ATOM 231 CE1 PHE A 15 -5.729 -2.081 -3.590 1.00 0.00 C ATOM 232 CE2 PHE A 15 -5.944 -4.300 -2.639 1.00 0.00 C ATOM 233 CZ PHE A 15 -6.281 -3.367 -3.626 1.00 0.00 C ATOM 0 H PHE A 15 -1.708 -1.851 1.032 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.846 -3.280 -1.457 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.627 -2.979 0.356 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.769 -1.293 -0.099 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.411 -0.738 -2.543 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -4.795 -4.670 -0.854 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.991 -1.360 -4.350 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.371 -5.292 -2.666 1.00 0.00 H new ATOM 0 HZ PHE A 15 -6.967 -3.639 -4.415 1.00 0.00 H new ATOM 243 N PHE A 16 -1.574 -0.058 -1.772 1.00 0.00 N ATOM 244 CA PHE A 16 -1.401 1.006 -2.805 1.00 0.00 C ATOM 245 C PHE A 16 -0.164 0.722 -3.652 1.00 0.00 C ATOM 246 O PHE A 16 -0.147 1.004 -4.833 1.00 0.00 O ATOM 247 CB PHE A 16 -1.246 2.314 -2.030 1.00 0.00 C ATOM 248 CG PHE A 16 -1.484 3.481 -2.960 1.00 0.00 C ATOM 249 CD1 PHE A 16 -0.480 3.885 -3.847 1.00 0.00 C ATOM 250 CD2 PHE A 16 -2.709 4.157 -2.934 1.00 0.00 C ATOM 251 CE1 PHE A 16 -0.701 4.965 -4.709 1.00 0.00 C ATOM 252 CE2 PHE A 16 -2.931 5.238 -3.797 1.00 0.00 C ATOM 253 CZ PHE A 16 -1.927 5.642 -4.685 1.00 0.00 C ATOM 0 H PHE A 16 -1.399 0.237 -0.811 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.248 1.052 -3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.954 2.345 -1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.247 2.377 -1.598 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.465 3.363 -3.866 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.483 3.845 -2.249 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.074 5.277 -5.393 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.877 5.760 -3.777 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.098 6.475 -5.351 1.00 0.00 H new ATOM 263 N LEU A 17 0.855 0.130 -3.075 1.00 0.00 N ATOM 264 CA LEU A 17 2.066 -0.205 -3.884 1.00 0.00 C ATOM 265 C LEU A 17 1.648 -1.270 -4.896 1.00 0.00 C ATOM 266 O LEU A 17 1.542 -0.999 -6.076 1.00 0.00 O ATOM 267 CB LEU A 17 3.091 -0.750 -2.888 1.00 0.00 C ATOM 268 CG LEU A 17 3.713 0.411 -2.109 1.00 0.00 C ATOM 269 CD1 LEU A 17 2.785 0.819 -0.965 1.00 0.00 C ATOM 270 CD2 LEU A 17 5.059 -0.030 -1.536 1.00 0.00 C ATOM 0 H LEU A 17 0.900 -0.132 -2.090 1.00 0.00 H new ATOM 0 HA LEU A 17 2.489 0.642 -4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.611 -1.447 -2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.867 -1.305 -3.415 1.00 0.00 H new ATOM 0 HG LEU A 17 3.857 1.260 -2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.231 1.646 -0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.823 1.131 -1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.639 -0.028 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.506 0.794 -0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.910 -0.879 -0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.723 -0.321 -2.350 1.00 0.00 H new ATOM 282 N PHE A 18 1.415 -2.479 -4.418 1.00 0.00 N ATOM 283 CA PHE A 18 0.981 -3.623 -5.304 1.00 0.00 C ATOM 284 C PHE A 18 0.064 -3.123 -6.441 1.00 0.00 C ATOM 285 O PHE A 18 0.344 -3.333 -7.605 1.00 0.00 O ATOM 286 CB PHE A 18 0.220 -4.578 -4.371 1.00 0.00 C ATOM 287 CG PHE A 18 -0.326 -5.752 -5.156 1.00 0.00 C ATOM 288 CD1 PHE A 18 0.516 -6.814 -5.509 1.00 0.00 C ATOM 289 CD2 PHE A 18 -1.675 -5.775 -5.530 1.00 0.00 C ATOM 290 CE1 PHE A 18 0.007 -7.900 -6.235 1.00 0.00 C ATOM 291 CE2 PHE A 18 -2.183 -6.859 -6.256 1.00 0.00 C ATOM 292 CZ PHE A 18 -1.343 -7.921 -6.609 1.00 0.00 C ATOM 0 H PHE A 18 1.509 -2.726 -3.433 1.00 0.00 H new ATOM 0 HA PHE A 18 1.829 -4.109 -5.787 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.884 -4.935 -3.584 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.597 -4.047 -3.882 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.557 -6.796 -5.222 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.324 -4.956 -5.258 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.655 -8.720 -6.506 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.224 -6.876 -6.544 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.735 -8.757 -7.170 1.00 0.00 H new ATOM 302 N CYS A 19 -1.029 -2.472 -6.114 1.00 0.00 N ATOM 303 CA CYS A 19 -1.939 -1.976 -7.187 1.00 0.00 C ATOM 304 C CYS A 19 -1.235 -0.922 -8.041 1.00 0.00 C ATOM 305 O CYS A 19 -1.308 -0.953 -9.252 1.00 0.00 O ATOM 306 CB CYS A 19 -3.138 -1.363 -6.458 1.00 0.00 C ATOM 307 SG CYS A 19 -4.392 -0.870 -7.667 1.00 0.00 S ATOM 0 H CYS A 19 -1.325 -2.266 -5.160 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.243 -2.777 -7.860 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.558 -2.084 -5.756 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.820 -0.499 -5.875 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.411 -0.351 -7.048 1.00 0.00 H new ATOM 313 N SER A 20 -0.553 0.014 -7.423 1.00 0.00 N ATOM 314 CA SER A 20 0.150 1.083 -8.205 1.00 0.00 C ATOM 315 C SER A 20 1.080 0.483 -9.265 1.00 0.00 C ATOM 316 O SER A 20 1.270 1.059 -10.321 1.00 0.00 O ATOM 317 CB SER A 20 0.965 1.873 -7.179 1.00 0.00 C ATOM 318 OG SER A 20 0.116 2.806 -6.524 1.00 0.00 O ATOM 0 H SER A 20 -0.453 0.084 -6.410 1.00 0.00 H new ATOM 0 HA SER A 20 -0.565 1.710 -8.738 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.410 1.195 -6.451 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.785 2.394 -7.672 1.00 0.00 H new ATOM 0 HG SER A 20 0.061 2.585 -5.571 1.00 0.00 H new ATOM 324 N GLU A 21 1.664 -0.661 -8.998 1.00 0.00 N ATOM 325 CA GLU A 21 2.581 -1.273 -10.004 1.00 0.00 C ATOM 326 C GLU A 21 1.803 -2.168 -10.976 1.00 0.00 C ATOM 327 O GLU A 21 2.210 -2.343 -12.110 1.00 0.00 O ATOM 328 CB GLU A 21 3.616 -2.076 -9.207 1.00 0.00 C ATOM 329 CG GLU A 21 2.929 -3.164 -8.384 1.00 0.00 C ATOM 330 CD GLU A 21 3.957 -4.218 -7.970 1.00 0.00 C ATOM 331 OE1 GLU A 21 5.093 -3.845 -7.724 1.00 0.00 O ATOM 332 OE2 GLU A 21 3.593 -5.380 -7.906 1.00 0.00 O ATOM 0 H GLU A 21 1.545 -1.191 -8.135 1.00 0.00 H new ATOM 0 HA GLU A 21 3.068 -0.513 -10.614 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.338 -2.528 -9.888 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.173 -1.410 -8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.465 -2.727 -7.500 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.133 -3.627 -8.967 1.00 0.00 H new ATOM 339 N HIS A 22 0.687 -2.730 -10.563 1.00 0.00 N ATOM 340 CA HIS A 22 -0.101 -3.601 -11.490 1.00 0.00 C ATOM 341 C HIS A 22 -1.305 -2.837 -12.063 1.00 0.00 C ATOM 342 O HIS A 22 -2.216 -3.434 -12.606 1.00 0.00 O ATOM 343 CB HIS A 22 -0.602 -4.756 -10.622 1.00 0.00 C ATOM 344 CG HIS A 22 0.525 -5.696 -10.303 1.00 0.00 C ATOM 345 ND1 HIS A 22 1.130 -6.484 -11.269 1.00 0.00 N ATOM 346 CD2 HIS A 22 1.153 -6.001 -9.122 1.00 0.00 C ATOM 347 CE1 HIS A 22 2.075 -7.221 -10.656 1.00 0.00 C ATOM 348 NE2 HIS A 22 2.131 -6.965 -9.346 1.00 0.00 N ATOM 0 H HIS A 22 0.292 -2.622 -9.629 1.00 0.00 H new ATOM 0 HA HIS A 22 0.504 -3.936 -12.333 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.032 -4.366 -9.699 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.396 -5.292 -11.142 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.923 -5.560 -8.163 1.00 0.00 H new ATOM 0 HE1 HIS A 22 2.711 -7.933 -11.162 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.756 -7.386 -8.658 1.00 0.00 H new ATOM 356 N ARG A 23 -1.325 -1.529 -11.946 1.00 0.00 N ATOM 357 CA ARG A 23 -2.479 -0.746 -12.485 1.00 0.00 C ATOM 358 C ARG A 23 -2.355 -0.539 -14.008 1.00 0.00 C ATOM 359 O ARG A 23 -3.323 -0.732 -14.717 1.00 0.00 O ATOM 360 CB ARG A 23 -2.457 0.593 -11.740 1.00 0.00 C ATOM 361 CG ARG A 23 -3.861 1.201 -11.753 1.00 0.00 C ATOM 362 CD ARG A 23 -3.759 2.726 -11.663 1.00 0.00 C ATOM 363 NE ARG A 23 -3.145 2.991 -10.331 1.00 0.00 N ATOM 364 CZ ARG A 23 -3.575 3.985 -9.603 1.00 0.00 C ATOM 365 NH1 ARG A 23 -3.442 5.211 -10.029 1.00 0.00 N ATOM 366 NH2 ARG A 23 -4.135 3.752 -8.447 1.00 0.00 N ATOM 0 H ARG A 23 -0.594 -0.974 -11.502 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.421 -1.272 -12.332 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.121 0.446 -10.713 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.749 1.274 -12.212 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.384 0.914 -12.665 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.444 0.815 -10.916 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.145 3.129 -12.468 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.740 3.193 -11.746 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.390 2.396 -9.989 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.002 5.393 -10.931 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.778 5.988 -9.460 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.236 2.793 -8.113 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.471 4.528 -7.877 1.00 0.00 H new ATOM 380 N PRO A 24 -1.181 -0.158 -14.485 1.00 0.00 N ATOM 381 CA PRO A 24 -1.013 0.049 -15.945 1.00 0.00 C ATOM 382 C PRO A 24 -0.904 -1.294 -16.684 1.00 0.00 C ATOM 383 O PRO A 24 -0.903 -1.335 -17.901 1.00 0.00 O ATOM 384 CB PRO A 24 0.290 0.833 -16.054 1.00 0.00 C ATOM 385 CG PRO A 24 1.062 0.494 -14.820 1.00 0.00 C ATOM 386 CD PRO A 24 0.071 0.110 -13.750 1.00 0.00 C ATOM 0 HA PRO A 24 -1.859 0.569 -16.394 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.842 0.554 -16.952 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.100 1.904 -16.116 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.752 -0.327 -15.014 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.662 1.345 -14.498 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.403 -0.769 -13.198 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.059 0.912 -13.023 1.00 0.00 H new ATOM 394 N LYS A 25 -0.817 -2.392 -15.967 1.00 0.00 N ATOM 395 CA LYS A 25 -0.710 -3.723 -16.635 1.00 0.00 C ATOM 396 C LYS A 25 -2.107 -4.279 -16.931 1.00 0.00 C ATOM 397 O LYS A 25 -2.335 -4.888 -17.959 1.00 0.00 O ATOM 398 CB LYS A 25 0.019 -4.613 -15.627 1.00 0.00 C ATOM 399 CG LYS A 25 0.338 -5.962 -16.273 1.00 0.00 C ATOM 400 CD LYS A 25 0.899 -6.914 -15.214 1.00 0.00 C ATOM 401 CE LYS A 25 1.533 -8.126 -15.900 1.00 0.00 C ATOM 402 NZ LYS A 25 1.622 -9.165 -14.837 1.00 0.00 N ATOM 0 H LYS A 25 -0.816 -2.420 -14.947 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.182 -3.668 -17.587 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.939 -4.129 -15.297 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.599 -4.759 -14.741 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.562 -6.386 -16.719 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.061 -5.830 -17.078 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.641 -6.399 -14.604 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.103 -7.238 -14.543 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.925 -8.469 -16.737 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.518 -7.884 -16.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.047 -10.029 -15.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.212 -8.813 -14.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.669 -9.380 -14.481 1.00 0.00 H new ATOM 416 N ILE A 26 -3.041 -4.069 -16.037 1.00 0.00 N ATOM 417 CA ILE A 26 -4.429 -4.579 -16.262 1.00 0.00 C ATOM 418 C ILE A 26 -5.137 -3.741 -17.336 1.00 0.00 C ATOM 419 O ILE A 26 -6.080 -4.191 -17.955 1.00 0.00 O ATOM 420 CB ILE A 26 -5.132 -4.442 -14.904 1.00 0.00 C ATOM 421 CG1 ILE A 26 -4.395 -5.289 -13.853 1.00 0.00 C ATOM 422 CG2 ILE A 26 -6.588 -4.915 -15.019 1.00 0.00 C ATOM 423 CD1 ILE A 26 -4.398 -6.770 -14.259 1.00 0.00 C ATOM 0 H ILE A 26 -2.902 -3.566 -15.160 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.438 -5.610 -16.616 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.120 -3.396 -14.599 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.369 -4.937 -13.748 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.874 -5.171 -12.881 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.081 -4.815 -14.052 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.111 -4.307 -15.757 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.608 -5.960 -15.330 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.872 -7.355 -13.504 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.426 -7.123 -14.341 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.898 -6.885 -15.221 1.00 0.00 H new ATOM 435 N LYS A 27 -4.678 -2.536 -17.571 1.00 0.00 N ATOM 436 CA LYS A 27 -5.315 -1.676 -18.616 1.00 0.00 C ATOM 437 C LYS A 27 -4.879 -2.121 -20.020 1.00 0.00 C ATOM 438 O LYS A 27 -5.543 -1.834 -21.000 1.00 0.00 O ATOM 439 CB LYS A 27 -4.819 -0.260 -18.321 1.00 0.00 C ATOM 440 CG LYS A 27 -5.504 0.265 -17.059 1.00 0.00 C ATOM 441 CD LYS A 27 -4.905 1.620 -16.677 1.00 0.00 C ATOM 442 CE LYS A 27 -5.441 2.700 -17.620 1.00 0.00 C ATOM 443 NZ LYS A 27 -4.454 3.812 -17.532 1.00 0.00 N ATOM 0 H LYS A 27 -3.889 -2.111 -17.084 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.403 -1.741 -18.592 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.737 -0.262 -18.187 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.034 0.396 -19.165 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.576 0.365 -17.229 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.376 -0.444 -16.241 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.159 1.864 -15.646 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.817 1.578 -16.736 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.525 2.327 -18.641 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.435 3.030 -17.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.753 4.591 -18.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.400 4.152 -16.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.519 3.470 -17.832 1.00 0.00 H new ATOM 457 N SER A 28 -3.775 -2.824 -20.127 1.00 0.00 N ATOM 458 CA SER A 28 -3.306 -3.290 -21.470 1.00 0.00 C ATOM 459 C SER A 28 -4.176 -4.457 -21.947 1.00 0.00 C ATOM 460 O SER A 28 -4.657 -4.469 -23.065 1.00 0.00 O ATOM 461 CB SER A 28 -1.863 -3.748 -21.256 1.00 0.00 C ATOM 462 OG SER A 28 -1.236 -3.926 -22.520 1.00 0.00 O ATOM 0 H SER A 28 -3.180 -3.094 -19.343 1.00 0.00 H new ATOM 0 HA SER A 28 -3.371 -2.508 -22.227 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.318 -3.010 -20.667 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.845 -4.681 -20.693 1.00 0.00 H new ATOM 0 HG SER A 28 -0.310 -4.218 -22.388 1.00 0.00 H new ATOM 468 N GLU A 29 -4.385 -5.432 -21.099 1.00 0.00 N ATOM 469 CA GLU A 29 -5.233 -6.603 -21.484 1.00 0.00 C ATOM 470 C GLU A 29 -6.726 -6.291 -21.266 1.00 0.00 C ATOM 471 O GLU A 29 -7.573 -7.143 -21.459 1.00 0.00 O ATOM 472 CB GLU A 29 -4.783 -7.734 -20.559 1.00 0.00 C ATOM 473 CG GLU A 29 -3.341 -8.122 -20.892 1.00 0.00 C ATOM 474 CD GLU A 29 -3.322 -8.975 -22.162 1.00 0.00 C ATOM 475 OE1 GLU A 29 -3.410 -8.404 -23.237 1.00 0.00 O ATOM 476 OE2 GLU A 29 -3.221 -10.184 -22.038 1.00 0.00 O ATOM 0 H GLU A 29 -4.004 -5.468 -20.154 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.120 -6.860 -22.537 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.855 -7.417 -19.518 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.439 -8.597 -20.676 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.736 -7.227 -21.034 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.901 -8.676 -20.063 1.00 0.00 H new ATOM 483 N HIS A 30 -7.053 -5.078 -20.885 1.00 0.00 N ATOM 484 CA HIS A 30 -8.485 -4.704 -20.677 1.00 0.00 C ATOM 485 C HIS A 30 -8.653 -3.200 -20.923 1.00 0.00 C ATOM 486 O HIS A 30 -8.592 -2.415 -19.998 1.00 0.00 O ATOM 487 CB HIS A 30 -8.821 -5.039 -19.219 1.00 0.00 C ATOM 488 CG HIS A 30 -8.614 -6.505 -18.954 1.00 0.00 C ATOM 489 ND1 HIS A 30 -9.648 -7.425 -19.036 1.00 0.00 N ATOM 490 CD2 HIS A 30 -7.505 -7.219 -18.588 1.00 0.00 C ATOM 491 CE1 HIS A 30 -9.142 -8.632 -18.723 1.00 0.00 C ATOM 492 NE2 HIS A 30 -7.838 -8.563 -18.440 1.00 0.00 N ATOM 0 H HIS A 30 -6.384 -4.329 -20.709 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.144 -5.241 -21.359 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.193 -4.450 -18.550 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.855 -4.767 -19.006 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.520 -6.803 -18.437 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.719 -9.545 -18.703 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.220 -9.329 -18.173 1.00 0.00 H new ATOM 500 N PRO A 31 -8.854 -2.834 -22.166 1.00 0.00 N ATOM 501 CA PRO A 31 -9.028 -1.401 -22.509 1.00 0.00 C ATOM 502 C PRO A 31 -10.344 -0.875 -21.928 1.00 0.00 C ATOM 503 O PRO A 31 -11.404 -1.415 -22.183 1.00 0.00 O ATOM 504 CB PRO A 31 -9.056 -1.398 -24.037 1.00 0.00 C ATOM 505 CG PRO A 31 -9.495 -2.778 -24.410 1.00 0.00 C ATOM 506 CD PRO A 31 -8.941 -3.696 -23.354 1.00 0.00 C ATOM 0 HA PRO A 31 -8.243 -0.760 -22.107 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.746 -0.646 -24.419 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.074 -1.169 -24.451 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.582 -2.843 -24.450 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.123 -3.051 -25.397 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.594 -4.552 -23.183 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.965 -4.091 -23.636 1.00 0.00 H new ATOM 514 N GLY A 32 -10.277 0.166 -21.137 1.00 0.00 N ATOM 515 CA GLY A 32 -11.517 0.726 -20.523 1.00 0.00 C ATOM 516 C GLY A 32 -11.684 0.185 -19.096 1.00 0.00 C ATOM 517 O GLY A 32 -12.427 0.731 -18.303 1.00 0.00 O ATOM 0 H GLY A 32 -9.415 0.652 -20.890 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.464 1.815 -20.505 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.385 0.459 -21.126 1.00 0.00 H new ATOM 521 N LEU A 33 -11.004 -0.890 -18.763 1.00 0.00 N ATOM 522 CA LEU A 33 -11.124 -1.480 -17.387 1.00 0.00 C ATOM 523 C LEU A 33 -10.919 -0.413 -16.305 1.00 0.00 C ATOM 524 O LEU A 33 -9.806 -0.029 -15.996 1.00 0.00 O ATOM 525 CB LEU A 33 -10.010 -2.535 -17.315 1.00 0.00 C ATOM 526 CG LEU A 33 -10.367 -3.642 -16.314 1.00 0.00 C ATOM 527 CD1 LEU A 33 -10.530 -3.046 -14.917 1.00 0.00 C ATOM 528 CD2 LEU A 33 -11.671 -4.330 -16.733 1.00 0.00 C ATOM 0 H LEU A 33 -10.368 -1.386 -19.388 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.113 -1.903 -17.215 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.851 -2.969 -18.302 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.074 -2.061 -17.020 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.563 -4.377 -16.302 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.783 -3.837 -14.211 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.597 -2.573 -14.612 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.327 -2.302 -14.929 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.915 -5.114 -16.016 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.477 -3.597 -16.758 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.549 -4.769 -17.723 1.00 0.00 H new ATOM 540 N SER A 34 -11.994 0.066 -15.732 1.00 0.00 N ATOM 541 CA SER A 34 -11.890 1.113 -14.664 1.00 0.00 C ATOM 542 C SER A 34 -10.984 0.628 -13.525 1.00 0.00 C ATOM 543 O SER A 34 -10.379 -0.425 -13.609 1.00 0.00 O ATOM 544 CB SER A 34 -13.318 1.315 -14.160 1.00 0.00 C ATOM 545 OG SER A 34 -13.915 0.048 -13.917 1.00 0.00 O ATOM 0 H SER A 34 -12.946 -0.223 -15.958 1.00 0.00 H new ATOM 0 HA SER A 34 -11.456 2.039 -15.042 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.312 1.908 -13.246 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.901 1.869 -14.896 1.00 0.00 H new ATOM 0 HG SER A 34 -14.831 0.175 -13.592 1.00 0.00 H new ATOM 551 N ILE A 35 -10.885 1.390 -12.466 1.00 0.00 N ATOM 552 CA ILE A 35 -10.013 0.979 -11.319 1.00 0.00 C ATOM 553 C ILE A 35 -10.814 0.161 -10.291 1.00 0.00 C ATOM 554 O ILE A 35 -10.386 -0.015 -9.166 1.00 0.00 O ATOM 555 CB ILE A 35 -9.524 2.294 -10.699 1.00 0.00 C ATOM 556 CG1 ILE A 35 -8.776 3.116 -11.754 1.00 0.00 C ATOM 557 CG2 ILE A 35 -8.577 1.995 -9.535 1.00 0.00 C ATOM 558 CD1 ILE A 35 -8.501 4.518 -11.209 1.00 0.00 C ATOM 0 H ILE A 35 -11.369 2.279 -12.344 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.186 0.346 -11.643 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.384 2.857 -10.337 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.838 2.625 -12.015 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.367 3.179 -12.667 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.232 2.932 -9.097 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.103 1.413 -8.778 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.721 1.427 -9.899 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.969 5.102 -11.960 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.445 5.007 -10.971 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.892 4.445 -10.308 1.00 0.00 H new ATOM 570 N GLY A 36 -11.967 -0.341 -10.667 1.00 0.00 N ATOM 571 CA GLY A 36 -12.783 -1.145 -9.710 1.00 0.00 C ATOM 572 C GLY A 36 -12.591 -2.634 -10.003 1.00 0.00 C ATOM 573 O GLY A 36 -12.247 -3.409 -9.129 1.00 0.00 O ATOM 0 H GLY A 36 -12.375 -0.227 -11.595 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.484 -0.923 -8.685 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.836 -0.878 -9.800 1.00 0.00 H new ATOM 577 N ASP A 37 -12.816 -3.038 -11.228 1.00 0.00 N ATOM 578 CA ASP A 37 -12.654 -4.480 -11.588 1.00 0.00 C ATOM 579 C ASP A 37 -11.203 -4.925 -11.382 1.00 0.00 C ATOM 580 O ASP A 37 -10.945 -5.966 -10.806 1.00 0.00 O ATOM 581 CB ASP A 37 -13.037 -4.573 -13.066 1.00 0.00 C ATOM 582 CG ASP A 37 -14.546 -4.371 -13.216 1.00 0.00 C ATOM 583 OD1 ASP A 37 -15.289 -5.135 -12.621 1.00 0.00 O ATOM 584 OD2 ASP A 37 -14.934 -3.456 -13.924 1.00 0.00 O ATOM 0 H ASP A 37 -13.105 -2.431 -11.995 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.274 -5.126 -10.966 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.500 -3.818 -13.640 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.748 -5.544 -13.467 1.00 0.00 H new ATOM 589 N THR A 38 -10.253 -4.147 -11.847 1.00 0.00 N ATOM 590 CA THR A 38 -8.819 -4.535 -11.672 1.00 0.00 C ATOM 591 C THR A 38 -8.437 -4.453 -10.190 1.00 0.00 C ATOM 592 O THR A 38 -7.597 -5.193 -9.716 1.00 0.00 O ATOM 593 CB THR A 38 -8.010 -3.541 -12.520 1.00 0.00 C ATOM 594 OG1 THR A 38 -6.631 -3.870 -12.439 1.00 0.00 O ATOM 595 CG2 THR A 38 -8.219 -2.109 -12.022 1.00 0.00 C ATOM 0 H THR A 38 -10.409 -3.266 -12.337 1.00 0.00 H new ATOM 0 HA THR A 38 -8.624 -5.559 -11.990 1.00 0.00 H new ATOM 0 HB THR A 38 -8.351 -3.604 -13.553 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.094 -3.056 -12.538 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.637 -1.422 -12.636 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.276 -1.851 -12.090 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.893 -2.033 -10.985 1.00 0.00 H new ATOM 603 N ALA A 39 -9.065 -3.569 -9.458 1.00 0.00 N ATOM 604 CA ALA A 39 -8.763 -3.442 -7.998 1.00 0.00 C ATOM 605 C ALA A 39 -9.326 -4.655 -7.258 1.00 0.00 C ATOM 606 O ALA A 39 -8.778 -5.100 -6.267 1.00 0.00 O ATOM 607 CB ALA A 39 -9.467 -2.160 -7.550 1.00 0.00 C ATOM 0 H ALA A 39 -9.776 -2.927 -9.808 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.694 -3.400 -7.792 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.290 -2.000 -6.486 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.075 -1.314 -8.114 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.538 -2.251 -7.730 1.00 0.00 H new ATOM 613 N LYS A 40 -10.407 -5.204 -7.753 1.00 0.00 N ATOM 614 CA LYS A 40 -11.003 -6.407 -7.104 1.00 0.00 C ATOM 615 C LYS A 40 -10.103 -7.605 -7.391 1.00 0.00 C ATOM 616 O LYS A 40 -9.829 -8.415 -6.526 1.00 0.00 O ATOM 617 CB LYS A 40 -12.373 -6.589 -7.758 1.00 0.00 C ATOM 618 CG LYS A 40 -13.413 -5.752 -7.009 1.00 0.00 C ATOM 619 CD LYS A 40 -14.759 -5.845 -7.729 1.00 0.00 C ATOM 620 CE LYS A 40 -15.443 -7.164 -7.364 1.00 0.00 C ATOM 621 NZ LYS A 40 -16.750 -7.129 -8.078 1.00 0.00 N ATOM 0 H LYS A 40 -10.902 -4.869 -8.580 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.099 -6.307 -6.023 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.331 -6.285 -8.804 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.658 -7.641 -7.743 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.512 -6.108 -5.984 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.089 -4.713 -6.955 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.393 -5.004 -7.447 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.611 -5.786 -8.807 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -14.844 -8.019 -7.678 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.584 -7.251 -6.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.279 -8.002 -7.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.301 -6.308 -7.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -16.584 -7.053 -9.102 1.00 0.00 H new ATOM 635 N LYS A 41 -9.626 -7.702 -8.606 1.00 0.00 N ATOM 636 CA LYS A 41 -8.719 -8.830 -8.967 1.00 0.00 C ATOM 637 C LYS A 41 -7.399 -8.668 -8.211 1.00 0.00 C ATOM 638 O LYS A 41 -6.939 -9.568 -7.538 1.00 0.00 O ATOM 639 CB LYS A 41 -8.496 -8.709 -10.475 1.00 0.00 C ATOM 640 CG LYS A 41 -8.014 -10.051 -11.029 1.00 0.00 C ATOM 641 CD LYS A 41 -7.974 -9.990 -12.557 1.00 0.00 C ATOM 642 CE LYS A 41 -7.144 -11.160 -13.093 1.00 0.00 C ATOM 643 NZ LYS A 41 -7.303 -11.098 -14.572 1.00 0.00 N ATOM 0 H LYS A 41 -9.826 -7.048 -9.363 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.134 -9.804 -8.708 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.422 -8.412 -10.968 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.760 -7.932 -10.683 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.023 -10.283 -10.638 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.680 -10.850 -10.704 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.986 -10.033 -12.960 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.541 -9.044 -12.883 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.097 -11.067 -12.804 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.500 -12.111 -12.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.762 -11.870 -15.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.309 -11.196 -14.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.949 -10.184 -14.921 1.00 0.00 H new ATOM 657 N LEU A 42 -6.791 -7.512 -8.321 1.00 0.00 N ATOM 658 CA LEU A 42 -5.491 -7.250 -7.615 1.00 0.00 C ATOM 659 C LEU A 42 -5.581 -7.643 -6.137 1.00 0.00 C ATOM 660 O LEU A 42 -4.787 -8.421 -5.645 1.00 0.00 O ATOM 661 CB LEU A 42 -5.281 -5.740 -7.739 1.00 0.00 C ATOM 662 CG LEU A 42 -4.292 -5.437 -8.866 1.00 0.00 C ATOM 663 CD1 LEU A 42 -4.843 -5.931 -10.205 1.00 0.00 C ATOM 664 CD2 LEU A 42 -4.084 -3.930 -8.939 1.00 0.00 C ATOM 0 H LEU A 42 -7.141 -6.730 -8.874 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.673 -7.828 -8.045 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.233 -5.248 -7.938 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.906 -5.339 -6.798 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.349 -5.945 -8.664 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.128 -5.708 -10.997 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.007 -7.008 -10.156 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.787 -5.430 -10.417 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.381 -3.698 -9.739 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.037 -3.441 -9.141 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.686 -3.571 -7.990 1.00 0.00 H new ATOM 676 N GLY A 43 -6.546 -7.107 -5.426 1.00 0.00 N ATOM 677 CA GLY A 43 -6.699 -7.441 -3.975 1.00 0.00 C ATOM 678 C GLY A 43 -6.742 -8.962 -3.799 1.00 0.00 C ATOM 679 O GLY A 43 -6.300 -9.494 -2.798 1.00 0.00 O ATOM 0 H GLY A 43 -7.236 -6.450 -5.791 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.869 -7.022 -3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.612 -6.994 -3.583 1.00 0.00 H new ATOM 683 N GLU A 44 -7.245 -9.663 -4.785 1.00 0.00 N ATOM 684 CA GLU A 44 -7.287 -11.150 -4.700 1.00 0.00 C ATOM 685 C GLU A 44 -5.858 -11.681 -4.796 1.00 0.00 C ATOM 686 O GLU A 44 -5.487 -12.623 -4.123 1.00 0.00 O ATOM 687 CB GLU A 44 -8.118 -11.608 -5.901 1.00 0.00 C ATOM 688 CG GLU A 44 -8.639 -13.025 -5.651 1.00 0.00 C ATOM 689 CD GLU A 44 -9.083 -13.648 -6.975 1.00 0.00 C ATOM 690 OE1 GLU A 44 -10.164 -13.313 -7.432 1.00 0.00 O ATOM 691 OE2 GLU A 44 -8.336 -14.451 -7.509 1.00 0.00 O ATOM 0 H GLU A 44 -7.628 -9.267 -5.644 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.721 -11.512 -3.768 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.953 -10.925 -6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.511 -11.587 -6.806 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.860 -13.635 -5.194 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.475 -12.998 -4.952 1.00 0.00 H new ATOM 698 N MET A 45 -5.052 -11.063 -5.624 1.00 0.00 N ATOM 699 CA MET A 45 -3.635 -11.503 -5.768 1.00 0.00 C ATOM 700 C MET A 45 -2.807 -10.950 -4.606 1.00 0.00 C ATOM 701 O MET A 45 -2.009 -11.653 -4.019 1.00 0.00 O ATOM 702 CB MET A 45 -3.161 -10.912 -7.096 1.00 0.00 C ATOM 703 CG MET A 45 -3.644 -11.792 -8.249 1.00 0.00 C ATOM 704 SD MET A 45 -3.200 -11.020 -9.826 1.00 0.00 S ATOM 705 CE MET A 45 -4.423 -11.876 -10.849 1.00 0.00 C ATOM 0 H MET A 45 -5.318 -10.270 -6.207 1.00 0.00 H new ATOM 0 HA MET A 45 -3.532 -12.588 -5.755 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.545 -9.899 -7.213 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.073 -10.844 -7.108 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.194 -12.782 -8.178 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.724 -11.927 -8.190 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.270 -11.613 -11.896 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.311 -12.953 -10.725 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.426 -11.578 -10.543 1.00 0.00 H new ATOM 715 N TRP A 46 -3.010 -9.699 -4.254 1.00 0.00 N ATOM 716 CA TRP A 46 -2.250 -9.083 -3.107 1.00 0.00 C ATOM 717 C TRP A 46 -2.340 -9.989 -1.869 1.00 0.00 C ATOM 718 O TRP A 46 -1.346 -10.275 -1.228 1.00 0.00 O ATOM 719 CB TRP A 46 -2.936 -7.729 -2.864 1.00 0.00 C ATOM 720 CG TRP A 46 -2.363 -7.068 -1.649 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.070 -6.676 -0.564 1.00 0.00 C ATOM 722 CD2 TRP A 46 -0.978 -6.722 -1.382 1.00 0.00 C ATOM 723 NE1 TRP A 46 -2.202 -6.107 0.351 1.00 0.00 N ATOM 724 CE2 TRP A 46 -0.900 -6.113 -0.109 1.00 0.00 C ATOM 725 CE3 TRP A 46 0.208 -6.876 -2.119 1.00 0.00 C ATOM 726 CZ2 TRP A 46 0.314 -5.673 0.415 1.00 0.00 C ATOM 727 CZ3 TRP A 46 1.431 -6.435 -1.595 1.00 0.00 C ATOM 728 CH2 TRP A 46 1.483 -5.835 -0.333 1.00 0.00 C ATOM 0 H TRP A 46 -3.672 -9.073 -4.712 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.188 -8.960 -3.320 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.804 -7.085 -3.733 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.009 -7.875 -2.736 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.136 -6.789 -0.434 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.489 -5.730 1.254 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.177 -7.337 -3.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.351 -5.211 1.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.338 -6.559 -2.169 1.00 0.00 H new ATOM 0 HH2 TRP A 46 2.428 -5.496 0.064 1.00 0.00 H new ATOM 739 N SER A 47 -3.522 -10.451 -1.544 1.00 0.00 N ATOM 740 CA SER A 47 -3.677 -11.355 -0.362 1.00 0.00 C ATOM 741 C SER A 47 -2.983 -12.702 -0.621 1.00 0.00 C ATOM 742 O SER A 47 -2.825 -13.505 0.278 1.00 0.00 O ATOM 743 CB SER A 47 -5.186 -11.556 -0.203 1.00 0.00 C ATOM 744 OG SER A 47 -5.452 -12.116 1.076 1.00 0.00 O ATOM 0 H SER A 47 -4.385 -10.242 -2.045 1.00 0.00 H new ATOM 0 HA SER A 47 -3.225 -10.932 0.535 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.705 -10.604 -0.311 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.562 -12.214 -0.986 1.00 0.00 H new ATOM 0 HG SER A 47 -6.418 -12.245 1.182 1.00 0.00 H new ATOM 750 N GLU A 48 -2.551 -12.948 -1.838 1.00 0.00 N ATOM 751 CA GLU A 48 -1.855 -14.221 -2.158 1.00 0.00 C ATOM 752 C GLU A 48 -0.363 -13.967 -2.391 1.00 0.00 C ATOM 753 O GLU A 48 0.418 -14.898 -2.452 1.00 0.00 O ATOM 754 CB GLU A 48 -2.522 -14.712 -3.442 1.00 0.00 C ATOM 755 CG GLU A 48 -3.866 -15.361 -3.105 1.00 0.00 C ATOM 756 CD GLU A 48 -3.629 -16.767 -2.550 1.00 0.00 C ATOM 757 OE1 GLU A 48 -3.267 -17.635 -3.326 1.00 0.00 O ATOM 758 OE2 GLU A 48 -3.816 -16.951 -1.358 1.00 0.00 O ATOM 0 H GLU A 48 -2.656 -12.309 -2.626 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.927 -14.950 -1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.671 -13.878 -4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.876 -15.430 -3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.401 -14.755 -2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.491 -15.411 -3.996 1.00 0.00 H new ATOM 765 N GLN A 49 0.048 -12.721 -2.509 1.00 0.00 N ATOM 766 CA GLN A 49 1.498 -12.437 -2.724 1.00 0.00 C ATOM 767 C GLN A 49 2.302 -12.971 -1.543 1.00 0.00 C ATOM 768 O GLN A 49 1.862 -12.923 -0.409 1.00 0.00 O ATOM 769 CB GLN A 49 1.625 -10.907 -2.792 1.00 0.00 C ATOM 770 CG GLN A 49 0.952 -10.364 -4.059 1.00 0.00 C ATOM 771 CD GLN A 49 1.587 -10.986 -5.306 1.00 0.00 C ATOM 772 OE1 GLN A 49 2.790 -11.133 -5.382 1.00 0.00 O ATOM 773 NE2 GLN A 49 0.820 -11.357 -6.294 1.00 0.00 N ATOM 0 H GLN A 49 -0.556 -11.900 -2.465 1.00 0.00 H new ATOM 0 HA GLN A 49 1.873 -12.910 -3.632 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.167 -10.459 -1.910 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.677 -10.623 -2.783 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.115 -10.587 -4.036 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.051 -9.279 -4.095 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.190 -11.233 -6.230 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.231 -11.771 -7.131 1.00 0.00 H new ATOM 782 N SER A 50 3.480 -13.458 -1.798 1.00 0.00 N ATOM 783 CA SER A 50 4.335 -13.973 -0.695 1.00 0.00 C ATOM 784 C SER A 50 5.238 -12.839 -0.201 1.00 0.00 C ATOM 785 O SER A 50 4.884 -11.678 -0.299 1.00 0.00 O ATOM 786 CB SER A 50 5.157 -15.101 -1.321 1.00 0.00 C ATOM 787 OG SER A 50 6.078 -14.549 -2.253 1.00 0.00 O ATOM 0 H SER A 50 3.891 -13.522 -2.729 1.00 0.00 H new ATOM 0 HA SER A 50 3.764 -14.334 0.161 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.691 -15.651 -0.546 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.499 -15.812 -1.820 1.00 0.00 H new ATOM 0 HG SER A 50 6.990 -14.644 -1.907 1.00 0.00 H new ATOM 793 N ALA A 51 6.396 -13.155 0.320 1.00 0.00 N ATOM 794 CA ALA A 51 7.309 -12.078 0.806 1.00 0.00 C ATOM 795 C ALA A 51 8.019 -11.391 -0.373 1.00 0.00 C ATOM 796 O ALA A 51 8.729 -10.420 -0.189 1.00 0.00 O ATOM 797 CB ALA A 51 8.323 -12.788 1.705 1.00 0.00 C ATOM 0 H ALA A 51 6.747 -14.106 0.429 1.00 0.00 H new ATOM 0 HA ALA A 51 6.767 -11.297 1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.030 -12.060 2.102 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.801 -13.273 2.530 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.861 -13.538 1.125 1.00 0.00 H new ATOM 803 N LYS A 52 7.835 -11.875 -1.581 1.00 0.00 N ATOM 804 CA LYS A 52 8.501 -11.231 -2.755 1.00 0.00 C ATOM 805 C LYS A 52 7.743 -9.959 -3.147 1.00 0.00 C ATOM 806 O LYS A 52 8.334 -8.936 -3.435 1.00 0.00 O ATOM 807 CB LYS A 52 8.428 -12.267 -3.878 1.00 0.00 C ATOM 808 CG LYS A 52 9.651 -12.125 -4.786 1.00 0.00 C ATOM 809 CD LYS A 52 9.788 -13.374 -5.659 1.00 0.00 C ATOM 810 CE LYS A 52 8.837 -13.269 -6.853 1.00 0.00 C ATOM 811 NZ LYS A 52 9.544 -12.396 -7.831 1.00 0.00 N ATOM 0 H LYS A 52 7.255 -12.684 -1.801 1.00 0.00 H new ATOM 0 HA LYS A 52 9.530 -10.942 -2.541 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.389 -13.272 -3.458 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.515 -12.128 -4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.550 -11.239 -5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.550 -11.989 -4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.816 -13.476 -6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.559 -14.266 -5.075 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.628 -14.250 -7.279 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.880 -12.838 -6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.868 -11.726 -8.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.297 -11.869 -7.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.961 -12.983 -8.582 1.00 0.00 H new ATOM 825 N ASP A 53 6.436 -10.021 -3.150 1.00 0.00 N ATOM 826 CA ASP A 53 5.619 -8.825 -3.512 1.00 0.00 C ATOM 827 C ASP A 53 4.645 -8.500 -2.376 1.00 0.00 C ATOM 828 O ASP A 53 3.444 -8.460 -2.561 1.00 0.00 O ATOM 829 CB ASP A 53 4.857 -9.232 -4.771 1.00 0.00 C ATOM 830 CG ASP A 53 5.546 -8.647 -6.006 1.00 0.00 C ATOM 831 OD1 ASP A 53 6.697 -8.982 -6.231 1.00 0.00 O ATOM 832 OD2 ASP A 53 4.911 -7.875 -6.705 1.00 0.00 O ATOM 0 H ASP A 53 5.897 -10.855 -2.916 1.00 0.00 H new ATOM 0 HA ASP A 53 6.229 -7.937 -3.678 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.816 -10.319 -4.847 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.828 -8.877 -4.715 1.00 0.00 H new ATOM 837 N LYS A 54 5.166 -8.272 -1.197 1.00 0.00 N ATOM 838 CA LYS A 54 4.292 -7.952 -0.033 1.00 0.00 C ATOM 839 C LYS A 54 5.123 -7.515 1.179 1.00 0.00 C ATOM 840 O LYS A 54 4.697 -6.684 1.960 1.00 0.00 O ATOM 841 CB LYS A 54 3.562 -9.258 0.265 1.00 0.00 C ATOM 842 CG LYS A 54 2.112 -8.953 0.648 1.00 0.00 C ATOM 843 CD LYS A 54 1.492 -10.156 1.357 1.00 0.00 C ATOM 844 CE LYS A 54 2.055 -10.263 2.776 1.00 0.00 C ATOM 845 NZ LYS A 54 1.221 -9.337 3.591 1.00 0.00 N ATOM 0 H LYS A 54 6.165 -8.294 -0.992 1.00 0.00 H new ATOM 0 HA LYS A 54 3.611 -7.129 -0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.590 -9.910 -0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.060 -9.789 1.076 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.076 -8.079 1.299 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.535 -8.710 -0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.408 -10.051 1.392 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.706 -11.069 0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.991 -11.285 3.150 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.107 -9.978 2.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.810 -8.893 4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.819 -8.600 2.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.450 -9.870 4.042 1.00 0.00 H new ATOM 859 N GLN A 55 6.302 -8.062 1.344 1.00 0.00 N ATOM 860 CA GLN A 55 7.157 -7.669 2.507 1.00 0.00 C ATOM 861 C GLN A 55 7.717 -6.252 2.305 1.00 0.00 C ATOM 862 O GLN A 55 7.552 -5.407 3.162 1.00 0.00 O ATOM 863 CB GLN A 55 8.291 -8.696 2.546 1.00 0.00 C ATOM 864 CG GLN A 55 7.926 -9.826 3.511 1.00 0.00 C ATOM 865 CD GLN A 55 7.854 -9.279 4.938 1.00 0.00 C ATOM 866 OE1 GLN A 55 8.869 -9.050 5.564 1.00 0.00 O ATOM 867 NE2 GLN A 55 6.688 -9.059 5.481 1.00 0.00 N ATOM 0 H GLN A 55 6.709 -8.763 0.725 1.00 0.00 H new ATOM 0 HA GLN A 55 6.593 -7.657 3.440 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.466 -9.098 1.548 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.218 -8.218 2.864 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.968 -10.263 3.229 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.669 -10.622 3.453 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.836 -9.252 4.955 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.629 -8.694 6.432 1.00 0.00 H new ATOM 876 N PRO A 56 8.358 -6.017 1.177 1.00 0.00 N ATOM 877 CA PRO A 56 8.916 -4.668 0.905 1.00 0.00 C ATOM 878 C PRO A 56 7.800 -3.674 0.544 1.00 0.00 C ATOM 879 O PRO A 56 8.050 -2.496 0.370 1.00 0.00 O ATOM 880 CB PRO A 56 9.839 -4.892 -0.289 1.00 0.00 C ATOM 881 CG PRO A 56 9.299 -6.103 -0.979 1.00 0.00 C ATOM 882 CD PRO A 56 8.626 -6.953 0.068 1.00 0.00 C ATOM 0 HA PRO A 56 9.430 -4.245 1.768 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.840 -4.028 -0.953 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.869 -5.048 0.033 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.590 -5.818 -1.756 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.101 -6.657 -1.466 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.705 -7.396 -0.311 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.267 -7.775 0.387 1.00 0.00 H new ATOM 890 N TYR A 57 6.576 -4.135 0.422 1.00 0.00 N ATOM 891 CA TYR A 57 5.455 -3.216 0.064 1.00 0.00 C ATOM 892 C TYR A 57 4.794 -2.659 1.330 1.00 0.00 C ATOM 893 O TYR A 57 4.363 -1.522 1.361 1.00 0.00 O ATOM 894 CB TYR A 57 4.468 -4.090 -0.713 1.00 0.00 C ATOM 895 CG TYR A 57 5.011 -4.371 -2.095 1.00 0.00 C ATOM 896 CD1 TYR A 57 6.143 -5.181 -2.254 1.00 0.00 C ATOM 897 CD2 TYR A 57 4.380 -3.824 -3.218 1.00 0.00 C ATOM 898 CE1 TYR A 57 6.643 -5.441 -3.535 1.00 0.00 C ATOM 899 CE2 TYR A 57 4.880 -4.084 -4.500 1.00 0.00 C ATOM 900 CZ TYR A 57 6.011 -4.892 -4.658 1.00 0.00 C ATOM 901 OH TYR A 57 6.505 -5.149 -5.921 1.00 0.00 O ATOM 0 H TYR A 57 6.308 -5.110 0.556 1.00 0.00 H new ATOM 0 HA TYR A 57 5.794 -2.358 -0.517 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.300 -5.026 -0.181 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.503 -3.588 -0.786 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.630 -5.605 -1.388 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.507 -3.201 -3.096 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.516 -6.065 -3.658 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.393 -3.661 -5.366 1.00 0.00 H new ATOM 0 HH TYR A 57 6.201 -4.452 -6.539 1.00 0.00 H new ATOM 911 N GLU A 58 4.713 -3.451 2.371 1.00 0.00 N ATOM 912 CA GLU A 58 4.080 -2.964 3.635 1.00 0.00 C ATOM 913 C GLU A 58 5.103 -2.192 4.478 1.00 0.00 C ATOM 914 O GLU A 58 4.743 -1.352 5.283 1.00 0.00 O ATOM 915 CB GLU A 58 3.602 -4.227 4.365 1.00 0.00 C ATOM 916 CG GLU A 58 4.794 -5.143 4.684 1.00 0.00 C ATOM 917 CD GLU A 58 5.056 -5.150 6.193 1.00 0.00 C ATOM 918 OE1 GLU A 58 4.456 -5.963 6.875 1.00 0.00 O ATOM 919 OE2 GLU A 58 5.853 -4.340 6.637 1.00 0.00 O ATOM 0 H GLU A 58 5.057 -4.411 2.400 1.00 0.00 H new ATOM 0 HA GLU A 58 3.254 -2.279 3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.090 -3.951 5.287 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.880 -4.761 3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.589 -6.156 4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.681 -4.798 4.153 1.00 0.00 H new ATOM 926 N GLN A 59 6.373 -2.461 4.292 1.00 0.00 N ATOM 927 CA GLN A 59 7.419 -1.735 5.073 1.00 0.00 C ATOM 928 C GLN A 59 7.593 -0.325 4.507 1.00 0.00 C ATOM 929 O GLN A 59 7.234 0.654 5.134 1.00 0.00 O ATOM 930 CB GLN A 59 8.699 -2.551 4.891 1.00 0.00 C ATOM 931 CG GLN A 59 8.570 -3.879 5.639 1.00 0.00 C ATOM 932 CD GLN A 59 9.894 -4.642 5.560 1.00 0.00 C ATOM 933 OE1 GLN A 59 10.604 -4.754 6.539 1.00 0.00 O ATOM 934 NE2 GLN A 59 10.259 -5.174 4.425 1.00 0.00 N ATOM 0 H GLN A 59 6.729 -3.153 3.632 1.00 0.00 H new ATOM 0 HA GLN A 59 7.158 -1.633 6.126 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.878 -2.734 3.832 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.556 -1.992 5.267 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.305 -3.697 6.680 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.768 -4.476 5.205 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.663 -5.080 3.603 1.00 0.00 H new ATOM 0 HE22 GLN A 59 11.140 -5.684 4.361 1.00 0.00 H new ATOM 943 N LYS A 60 8.155 -0.213 3.326 1.00 0.00 N ATOM 944 CA LYS A 60 8.378 1.136 2.702 1.00 0.00 C ATOM 945 C LYS A 60 7.115 2.012 2.754 1.00 0.00 C ATOM 946 O LYS A 60 7.202 3.225 2.690 1.00 0.00 O ATOM 947 CB LYS A 60 8.753 0.839 1.248 1.00 0.00 C ATOM 948 CG LYS A 60 9.173 2.135 0.552 1.00 0.00 C ATOM 949 CD LYS A 60 8.794 2.066 -0.928 1.00 0.00 C ATOM 950 CE LYS A 60 9.429 3.242 -1.675 1.00 0.00 C ATOM 951 NZ LYS A 60 9.598 2.761 -3.074 1.00 0.00 N ATOM 0 H LYS A 60 8.471 -1.002 2.762 1.00 0.00 H new ATOM 0 HA LYS A 60 9.149 1.692 3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.567 0.115 1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.906 0.393 0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.685 2.988 1.024 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.248 2.284 0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.133 1.123 -1.357 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.710 2.095 -1.038 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.792 4.126 -1.635 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.387 3.519 -1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.029 3.512 -3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.214 1.923 -3.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.669 2.511 -3.470 1.00 0.00 H new ATOM 965 N ALA A 61 5.952 1.421 2.881 1.00 0.00 N ATOM 966 CA ALA A 61 4.703 2.236 2.949 1.00 0.00 C ATOM 967 C ALA A 61 4.345 2.515 4.410 1.00 0.00 C ATOM 968 O ALA A 61 3.851 3.574 4.746 1.00 0.00 O ATOM 969 CB ALA A 61 3.626 1.380 2.286 1.00 0.00 C ATOM 0 H ALA A 61 5.815 0.412 2.940 1.00 0.00 H new ATOM 0 HA ALA A 61 4.810 3.201 2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.677 1.915 2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.911 1.171 1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.521 0.442 2.831 1.00 0.00 H new ATOM 975 N ALA A 62 4.596 1.569 5.281 1.00 0.00 N ATOM 976 CA ALA A 62 4.279 1.772 6.728 1.00 0.00 C ATOM 977 C ALA A 62 5.159 2.882 7.304 1.00 0.00 C ATOM 978 O ALA A 62 4.738 3.644 8.155 1.00 0.00 O ATOM 979 CB ALA A 62 4.590 0.435 7.403 1.00 0.00 C ATOM 0 H ALA A 62 5.007 0.664 5.052 1.00 0.00 H new ATOM 0 HA ALA A 62 3.242 2.069 6.885 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.381 0.509 8.470 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.970 -0.347 6.965 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.642 0.189 7.256 1.00 0.00 H new ATOM 985 N LYS A 63 6.381 2.979 6.842 1.00 0.00 N ATOM 986 CA LYS A 63 7.301 4.039 7.352 1.00 0.00 C ATOM 987 C LYS A 63 6.987 5.374 6.669 1.00 0.00 C ATOM 988 O LYS A 63 6.628 6.342 7.312 1.00 0.00 O ATOM 989 CB LYS A 63 8.713 3.558 6.985 1.00 0.00 C ATOM 990 CG LYS A 63 9.577 3.471 8.246 1.00 0.00 C ATOM 991 CD LYS A 63 9.387 2.102 8.902 1.00 0.00 C ATOM 992 CE LYS A 63 10.477 1.883 9.954 1.00 0.00 C ATOM 993 NZ LYS A 63 11.604 1.250 9.214 1.00 0.00 N ATOM 0 H LYS A 63 6.781 2.367 6.131 1.00 0.00 H new ATOM 0 HA LYS A 63 7.198 4.198 8.426 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.660 2.583 6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.166 4.244 6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.626 3.622 7.992 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.301 4.262 8.944 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.402 2.043 9.366 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.432 1.316 8.148 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.783 2.826 10.408 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.124 1.240 10.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.391 1.069 9.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.285 0.351 8.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.924 1.887 8.457 1.00 0.00 H new ATOM 1007 N LEU A 64 7.127 5.431 5.366 1.00 0.00 N ATOM 1008 CA LEU A 64 6.846 6.702 4.617 1.00 0.00 C ATOM 1009 C LEU A 64 5.474 7.272 4.999 1.00 0.00 C ATOM 1010 O LEU A 64 5.247 8.465 4.924 1.00 0.00 O ATOM 1011 CB LEU A 64 6.865 6.307 3.139 1.00 0.00 C ATOM 1012 CG LEU A 64 8.311 6.258 2.643 1.00 0.00 C ATOM 1013 CD1 LEU A 64 8.351 5.632 1.248 1.00 0.00 C ATOM 1014 CD2 LEU A 64 8.876 7.678 2.579 1.00 0.00 C ATOM 0 H LEU A 64 7.425 4.648 4.784 1.00 0.00 H new ATOM 0 HA LEU A 64 7.579 7.475 4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.390 5.335 3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.292 7.025 2.552 1.00 0.00 H new ATOM 0 HG LEU A 64 8.910 5.658 3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.381 5.597 0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.948 4.620 1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.752 6.232 0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.907 7.644 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.277 8.277 1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.848 8.126 3.572 1.00 0.00 H new ATOM 1026 N LYS A 65 4.568 6.427 5.422 1.00 0.00 N ATOM 1027 CA LYS A 65 3.217 6.914 5.825 1.00 0.00 C ATOM 1028 C LYS A 65 3.298 7.540 7.218 1.00 0.00 C ATOM 1029 O LYS A 65 2.781 8.614 7.460 1.00 0.00 O ATOM 1030 CB LYS A 65 2.327 5.669 5.841 1.00 0.00 C ATOM 1031 CG LYS A 65 0.896 6.068 6.210 1.00 0.00 C ATOM 1032 CD LYS A 65 0.017 4.816 6.274 1.00 0.00 C ATOM 1033 CE LYS A 65 -1.270 5.136 7.038 1.00 0.00 C ATOM 1034 NZ LYS A 65 -1.868 3.809 7.355 1.00 0.00 N ATOM 0 H LYS A 65 4.707 5.420 5.505 1.00 0.00 H new ATOM 0 HA LYS A 65 2.825 7.673 5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.341 5.187 4.864 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.710 4.944 6.559 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.887 6.581 7.172 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.500 6.766 5.472 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.221 4.473 5.267 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.554 4.006 6.768 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.060 5.702 7.946 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.947 5.741 6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.756 3.945 7.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.063 3.296 6.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.203 3.258 7.935 1.00 0.00 H new ATOM 1048 N GLU A 66 3.950 6.869 8.138 1.00 0.00 N ATOM 1049 CA GLU A 66 4.078 7.412 9.530 1.00 0.00 C ATOM 1050 C GLU A 66 4.673 8.825 9.504 1.00 0.00 C ATOM 1051 O GLU A 66 4.341 9.662 10.322 1.00 0.00 O ATOM 1052 CB GLU A 66 5.025 6.448 10.251 1.00 0.00 C ATOM 1053 CG GLU A 66 4.920 6.663 11.762 1.00 0.00 C ATOM 1054 CD GLU A 66 3.718 5.890 12.307 1.00 0.00 C ATOM 1055 OE1 GLU A 66 3.779 4.671 12.320 1.00 0.00 O ATOM 1056 OE2 GLU A 66 2.757 6.529 12.702 1.00 0.00 O ATOM 0 H GLU A 66 4.400 5.967 7.985 1.00 0.00 H new ATOM 0 HA GLU A 66 3.111 7.485 10.028 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.771 5.418 10.001 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.050 6.613 9.920 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.834 6.327 12.252 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.812 7.725 11.982 1.00 0.00 H new ATOM 1063 N LYS A 67 5.541 9.091 8.563 1.00 0.00 N ATOM 1064 CA LYS A 67 6.159 10.449 8.465 1.00 0.00 C ATOM 1065 C LYS A 67 5.317 11.358 7.558 1.00 0.00 C ATOM 1066 O LYS A 67 5.450 12.567 7.591 1.00 0.00 O ATOM 1067 CB LYS A 67 7.540 10.211 7.854 1.00 0.00 C ATOM 1068 CG LYS A 67 8.436 11.420 8.134 1.00 0.00 C ATOM 1069 CD LYS A 67 9.904 11.008 8.010 1.00 0.00 C ATOM 1070 CE LYS A 67 10.791 12.079 8.649 1.00 0.00 C ATOM 1071 NZ LYS A 67 10.851 11.718 10.092 1.00 0.00 N ATOM 0 H LYS A 67 5.850 8.425 7.855 1.00 0.00 H new ATOM 0 HA LYS A 67 6.220 10.944 9.434 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.985 9.309 8.275 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.452 10.051 6.779 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.212 12.222 7.431 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.239 11.808 9.134 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.066 10.048 8.499 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.169 10.880 6.961 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.785 12.086 8.202 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.371 13.075 8.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.104 12.558 10.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.923 11.364 10.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.568 10.979 10.235 1.00 0.00 H new ATOM 1085 N TYR A 68 4.452 10.789 6.752 1.00 0.00 N ATOM 1086 CA TYR A 68 3.599 11.615 5.845 1.00 0.00 C ATOM 1087 C TYR A 68 2.496 12.294 6.656 1.00 0.00 C ATOM 1088 O TYR A 68 2.212 13.460 6.489 1.00 0.00 O ATOM 1089 CB TYR A 68 2.992 10.610 4.855 1.00 0.00 C ATOM 1090 CG TYR A 68 3.560 10.826 3.473 1.00 0.00 C ATOM 1091 CD1 TYR A 68 4.946 10.893 3.286 1.00 0.00 C ATOM 1092 CD2 TYR A 68 2.699 10.954 2.377 1.00 0.00 C ATOM 1093 CE1 TYR A 68 5.471 11.088 2.004 1.00 0.00 C ATOM 1094 CE2 TYR A 68 3.224 11.149 1.093 1.00 0.00 C ATOM 1095 CZ TYR A 68 4.610 11.216 0.907 1.00 0.00 C ATOM 1096 OH TYR A 68 5.127 11.408 -0.358 1.00 0.00 O ATOM 0 H TYR A 68 4.301 9.782 6.685 1.00 0.00 H new ATOM 0 HA TYR A 68 4.161 12.400 5.338 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.200 9.593 5.186 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.908 10.722 4.831 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.610 10.794 4.132 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.630 10.902 2.521 1.00 0.00 H new ATOM 0 HE1 TYR A 68 6.540 11.140 1.860 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.560 11.248 0.247 1.00 0.00 H new ATOM 0 HH TYR A 68 4.721 10.767 -0.978 1.00 0.00 H new ATOM 1106 N GLU A 69 1.869 11.550 7.525 1.00 0.00 N ATOM 1107 CA GLU A 69 0.764 12.112 8.364 1.00 0.00 C ATOM 1108 C GLU A 69 1.297 13.284 9.183 1.00 0.00 C ATOM 1109 O GLU A 69 0.722 14.355 9.203 1.00 0.00 O ATOM 1110 CB GLU A 69 0.322 10.962 9.273 1.00 0.00 C ATOM 1111 CG GLU A 69 -0.140 9.782 8.413 1.00 0.00 C ATOM 1112 CD GLU A 69 -1.097 8.902 9.219 1.00 0.00 C ATOM 1113 OE1 GLU A 69 -2.273 9.224 9.261 1.00 0.00 O ATOM 1114 OE2 GLU A 69 -0.637 7.920 9.780 1.00 0.00 O ATOM 0 H GLU A 69 2.075 10.565 7.694 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.069 12.486 7.769 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.146 10.656 9.917 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.488 11.290 9.925 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.636 10.147 7.514 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.721 9.197 8.088 1.00 0.00 H new ATOM 1121 N LYS A 70 2.418 13.090 9.829 1.00 0.00 N ATOM 1122 CA LYS A 70 3.033 14.198 10.624 1.00 0.00 C ATOM 1123 C LYS A 70 3.304 15.375 9.684 1.00 0.00 C ATOM 1124 O LYS A 70 2.905 16.497 9.933 1.00 0.00 O ATOM 1125 CB LYS A 70 4.343 13.620 11.160 1.00 0.00 C ATOM 1126 CG LYS A 70 4.611 14.181 12.554 1.00 0.00 C ATOM 1127 CD LYS A 70 3.824 13.376 13.590 1.00 0.00 C ATOM 1128 CE LYS A 70 4.677 12.205 14.084 1.00 0.00 C ATOM 1129 NZ LYS A 70 5.615 12.804 15.074 1.00 0.00 N ATOM 0 H LYS A 70 2.936 12.211 9.841 1.00 0.00 H new ATOM 0 HA LYS A 70 2.398 14.555 11.435 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.285 12.532 11.199 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.165 13.872 10.490 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.677 14.136 12.777 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.321 15.231 12.597 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.546 14.015 14.428 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.898 13.005 13.151 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.060 11.432 14.542 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.217 11.735 13.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.572 12.427 14.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.627 13.838 14.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.302 12.566 16.037 1.00 0.00 H new ATOM 1143 N ASP A 71 3.962 15.102 8.589 1.00 0.00 N ATOM 1144 CA ASP A 71 4.256 16.168 7.583 1.00 0.00 C ATOM 1145 C ASP A 71 2.950 16.804 7.092 1.00 0.00 C ATOM 1146 O ASP A 71 2.833 18.008 6.984 1.00 0.00 O ATOM 1147 CB ASP A 71 4.953 15.434 6.431 1.00 0.00 C ATOM 1148 CG ASP A 71 6.465 15.648 6.520 1.00 0.00 C ATOM 1149 OD1 ASP A 71 7.101 14.929 7.273 1.00 0.00 O ATOM 1150 OD2 ASP A 71 6.962 16.528 5.836 1.00 0.00 O ATOM 0 H ASP A 71 4.313 14.176 8.345 1.00 0.00 H new ATOM 0 HA ASP A 71 4.869 16.970 7.994 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.724 14.369 6.475 1.00 0.00 H new ATOM 0 HB3 ASP A 71 4.580 15.801 5.475 1.00 0.00 H new ATOM 1155 N ILE A 72 1.973 15.988 6.797 1.00 0.00 N ATOM 1156 CA ILE A 72 0.661 16.513 6.311 1.00 0.00 C ATOM 1157 C ILE A 72 0.021 17.394 7.397 1.00 0.00 C ATOM 1158 O ILE A 72 -0.505 18.449 7.110 1.00 0.00 O ATOM 1159 CB ILE A 72 -0.176 15.245 6.007 1.00 0.00 C ATOM 1160 CG1 ILE A 72 0.261 14.668 4.649 1.00 0.00 C ATOM 1161 CG2 ILE A 72 -1.684 15.556 5.970 1.00 0.00 C ATOM 1162 CD1 ILE A 72 -0.029 15.667 3.519 1.00 0.00 C ATOM 0 H ILE A 72 2.027 14.972 6.872 1.00 0.00 H new ATOM 0 HA ILE A 72 0.744 17.145 5.427 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.002 14.521 6.803 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.326 14.436 4.672 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.265 13.733 4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.239 14.643 5.754 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.998 15.951 6.936 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.884 16.294 5.193 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.287 15.241 2.567 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.098 15.878 3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.518 16.592 3.702 1.00 0.00 H new ATOM 1174 N ALA A 73 0.061 16.966 8.632 1.00 0.00 N ATOM 1175 CA ALA A 73 -0.551 17.785 9.727 1.00 0.00 C ATOM 1176 C ALA A 73 0.172 19.133 9.848 1.00 0.00 C ATOM 1177 O ALA A 73 -0.414 20.126 10.234 1.00 0.00 O ATOM 1178 CB ALA A 73 -0.366 16.960 11.002 1.00 0.00 C ATOM 0 H ALA A 73 0.488 16.089 8.931 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.602 18.003 9.537 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.791 17.499 11.849 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.871 16.001 10.891 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.697 16.792 11.176 1.00 0.00 H new ATOM 1184 N ALA A 74 1.438 19.169 9.518 1.00 0.00 N ATOM 1185 CA ALA A 74 2.209 20.449 9.606 1.00 0.00 C ATOM 1186 C ALA A 74 2.131 21.226 8.282 1.00 0.00 C ATOM 1187 O ALA A 74 2.403 22.411 8.236 1.00 0.00 O ATOM 1188 CB ALA A 74 3.648 20.022 9.891 1.00 0.00 C ATOM 0 H ALA A 74 1.974 18.365 9.190 1.00 0.00 H new ATOM 0 HA ALA A 74 1.814 21.110 10.377 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.281 20.906 9.970 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.684 19.465 10.827 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.008 19.390 9.079 1.00 0.00 H new ATOM 1194 N TYR A 75 1.751 20.570 7.212 1.00 0.00 N ATOM 1195 CA TYR A 75 1.641 21.270 5.895 1.00 0.00 C ATOM 1196 C TYR A 75 0.168 21.505 5.530 1.00 0.00 C ATOM 1197 O TYR A 75 -0.140 22.290 4.653 1.00 0.00 O ATOM 1198 CB TYR A 75 2.303 20.326 4.887 1.00 0.00 C ATOM 1199 CG TYR A 75 3.177 21.120 3.944 1.00 0.00 C ATOM 1200 CD1 TYR A 75 2.601 21.828 2.883 1.00 0.00 C ATOM 1201 CD2 TYR A 75 4.564 21.146 4.133 1.00 0.00 C ATOM 1202 CE1 TYR A 75 3.412 22.565 2.011 1.00 0.00 C ATOM 1203 CE2 TYR A 75 5.375 21.883 3.261 1.00 0.00 C ATOM 1204 CZ TYR A 75 4.799 22.591 2.201 1.00 0.00 C ATOM 1205 OH TYR A 75 5.599 23.318 1.342 1.00 0.00 O ATOM 0 H TYR A 75 1.512 19.579 7.195 1.00 0.00 H new ATOM 0 HA TYR A 75 2.118 22.250 5.911 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.901 19.580 5.411 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.541 19.786 4.325 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.531 21.806 2.737 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.008 20.598 4.951 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.968 23.113 1.193 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.445 21.905 3.407 1.00 0.00 H new ATOM 0 HH TYR A 75 6.536 23.231 1.615 1.00 0.00 H new ATOM 1215 N ARG A 76 -0.741 20.829 6.190 1.00 0.00 N ATOM 1216 CA ARG A 76 -2.191 21.003 5.885 1.00 0.00 C ATOM 1217 C ARG A 76 -2.875 21.831 6.981 1.00 0.00 C ATOM 1218 O ARG A 76 -3.934 22.393 6.769 1.00 0.00 O ATOM 1219 CB ARG A 76 -2.750 19.577 5.865 1.00 0.00 C ATOM 1220 CG ARG A 76 -4.240 19.608 5.523 1.00 0.00 C ATOM 1221 CD ARG A 76 -4.678 18.229 5.026 1.00 0.00 C ATOM 1222 NE ARG A 76 -5.811 18.496 4.096 1.00 0.00 N ATOM 1223 CZ ARG A 76 -5.679 18.251 2.821 1.00 0.00 C ATOM 1224 NH1 ARG A 76 -5.781 17.029 2.377 1.00 0.00 N ATOM 1225 NH2 ARG A 76 -5.446 19.230 1.989 1.00 0.00 N ATOM 0 H ARG A 76 -0.536 20.160 6.932 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.358 21.530 4.946 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.212 18.976 5.132 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.600 19.105 6.836 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.820 19.891 6.402 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.433 20.360 4.758 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.862 17.716 4.517 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.989 17.592 5.854 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.689 18.870 4.456 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.964 16.264 3.026 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.678 16.838 1.380 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.367 20.186 2.336 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.343 19.039 0.992 1.00 0.00 H new ATOM 1239 N ALA A 77 -2.280 21.909 8.148 1.00 0.00 N ATOM 1240 CA ALA A 77 -2.899 22.702 9.254 1.00 0.00 C ATOM 1241 C ALA A 77 -2.817 24.194 8.939 1.00 0.00 C ATOM 1242 O ALA A 77 -3.665 24.970 9.337 1.00 0.00 O ATOM 1243 CB ALA A 77 -2.080 22.367 10.502 1.00 0.00 C ATOM 0 H ALA A 77 -1.395 21.459 8.380 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.954 22.463 9.391 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.478 22.915 11.356 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.138 21.296 10.698 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.040 22.651 10.342 1.00 0.00 H new ATOM 1249 N LYS A 78 -1.802 24.593 8.228 1.00 0.00 N ATOM 1250 CA LYS A 78 -1.642 26.038 7.872 1.00 0.00 C ATOM 1251 C LYS A 78 -2.853 26.526 7.072 1.00 0.00 C ATOM 1252 O LYS A 78 -3.182 25.889 6.085 1.00 0.00 O ATOM 1253 CB LYS A 78 -0.375 26.099 7.015 1.00 0.00 C ATOM 1254 CG LYS A 78 0.417 27.362 7.357 1.00 0.00 C ATOM 1255 CD LYS A 78 1.852 27.225 6.839 1.00 0.00 C ATOM 1256 CE LYS A 78 2.759 26.721 7.964 1.00 0.00 C ATOM 1257 NZ LYS A 78 4.089 27.334 7.690 1.00 0.00 N ATOM 1258 OXT LYS A 78 -3.429 27.528 7.460 1.00 0.00 O ATOM 0 H LYS A 78 -1.068 23.979 7.873 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.569 26.673 8.755 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.238 25.215 7.191 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.639 26.099 5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.060 28.234 6.910 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.422 27.519 8.436 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.881 26.533 5.997 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.210 28.187 6.473 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.380 27.021 8.941 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.819 25.633 7.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.766 27.035 8.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.428 27.025 6.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.003 28.370 7.702 1.00 0.00 H new TER 1272 LYS A 78