USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 953 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 ASN : amide:sc= -0.0328 X(o=-0.35,f=-0.29) USER MOD Set 1.2: A 29 GLN : amide:sc= -0.319 K(o=-0.35,f=-2.8!) USER MOD Set 2.1: A 25 THR OG1 : rot 155:sc= 0.919 USER MOD Set 2.2: A 117 TYR OH : rot 180:sc= 0.789 USER MOD Set 3.1: A 21 THR OG1 : rot 119:sc= 0.756 USER MOD Set 3.2: A 99 LYS NZ :NH3+ -169:sc= 0.831 (180deg=0) USER MOD Set 4.1: A 7 THR OG1 : rot 176:sc= 1.68 USER MOD Set 4.2: A 9 THR OG1 : rot 100:sc= 1.37 USER MOD Set 5.1: A 4 LYS NZ :NH3+ 136:sc= 1.32 (180deg=1.07) USER MOD Set 5.2: A 6 TYR OH : rot 26:sc= 0.134 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.0198 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.23) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HE2:sc= -0.257 K(o=-0.26,f=-3.3) USER MOD Single : A 14 SER OG : rot 119:sc= 0.446 USER MOD Single : A 18 LYS NZ :NH3+ 150:sc= 0.581 (180deg=0.00654) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= -2.92! K(o=-2.9!,f=-0.12) USER MOD Single : A 37 TYR OH : rot 165:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 156:sc= 1.36 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0103 USER MOD Single : A 72 LYS NZ :NH3+ -135:sc= 0.196 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.0315 K(o=0.032,f=-3.4!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -33:sc= 0.865 USER MOD Single : A 88 ASN : amide:sc= 0.776 K(o=0.78,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -165:sc= -0.908 (180deg=-1.46) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 118 GLN : amide:sc= 0.21 K(o=0.21,f=-0.47) USER MOD Single : A 121 CYS SG : rot 173:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.647 -2.303 -8.814 1.00 0.00 N ATOM 2 CA MET A 1 17.809 -1.105 -8.700 1.00 0.00 C ATOM 3 C MET A 1 16.451 -1.353 -9.353 1.00 0.00 C ATOM 4 O MET A 1 16.359 -2.004 -10.399 1.00 0.00 O ATOM 5 CB MET A 1 18.500 0.146 -9.278 1.00 0.00 C ATOM 6 CG MET A 1 19.623 0.647 -8.358 1.00 0.00 C ATOM 7 SD MET A 1 20.326 2.264 -8.786 1.00 0.00 S ATOM 8 CE MET A 1 21.271 1.816 -10.268 1.00 0.00 C ATOM 0 H1 MET A 1 19.610 -2.028 -9.094 1.00 0.00 H new ATOM 0 H2 MET A 1 18.680 -2.792 -7.897 1.00 0.00 H new ATOM 0 H3 MET A 1 18.247 -2.940 -9.532 1.00 0.00 H new ATOM 0 HA MET A 1 17.652 -0.903 -7.640 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.910 -0.086 -10.261 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.763 0.937 -9.418 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.239 0.696 -7.339 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.426 -0.090 -8.360 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.770 2.701 -10.663 1.00 0.00 H new ATOM 0 HE2 MET A 1 22.016 1.064 -10.011 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.595 1.414 -11.023 1.00 0.00 H new ATOM 18 N LYS A 2 15.399 -0.793 -8.742 1.00 0.00 N ATOM 19 CA LYS A 2 13.972 -0.945 -9.053 1.00 0.00 C ATOM 20 C LYS A 2 13.467 -2.345 -8.693 1.00 0.00 C ATOM 21 O LYS A 2 14.093 -3.352 -9.025 1.00 0.00 O ATOM 22 CB LYS A 2 13.626 -0.567 -10.507 1.00 0.00 C ATOM 23 CG LYS A 2 14.276 0.747 -10.974 1.00 0.00 C ATOM 24 CD LYS A 2 13.499 1.471 -12.087 1.00 0.00 C ATOM 25 CE LYS A 2 14.037 2.906 -12.183 1.00 0.00 C ATOM 26 NZ LYS A 2 13.302 3.753 -13.146 1.00 0.00 N ATOM 0 H LYS A 2 15.537 -0.167 -7.948 1.00 0.00 H new ATOM 0 HA LYS A 2 13.443 -0.229 -8.424 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.942 -1.374 -11.168 1.00 0.00 H new ATOM 0 HB3 LYS A 2 12.544 -0.481 -10.603 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.373 1.416 -10.119 1.00 0.00 H new ATOM 0 HG3 LYS A 2 15.285 0.535 -11.329 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.623 0.953 -13.038 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.432 1.478 -11.865 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.991 3.368 -11.197 1.00 0.00 H new ATOM 0 HE3 LYS A 2 15.088 2.872 -12.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.719 4.706 -13.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.366 3.334 -14.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.304 3.815 -12.862 1.00 0.00 H new ATOM 40 N MET A 3 12.354 -2.420 -7.962 1.00 0.00 N ATOM 41 CA MET A 3 11.747 -3.651 -7.470 1.00 0.00 C ATOM 42 C MET A 3 10.322 -3.363 -6.993 1.00 0.00 C ATOM 43 O MET A 3 9.891 -2.214 -7.043 1.00 0.00 O ATOM 44 CB MET A 3 12.615 -4.227 -6.353 1.00 0.00 C ATOM 45 CG MET A 3 12.883 -3.315 -5.163 1.00 0.00 C ATOM 46 SD MET A 3 14.503 -3.659 -4.439 1.00 0.00 S ATOM 47 CE MET A 3 15.485 -2.479 -5.392 1.00 0.00 C ATOM 0 H MET A 3 11.831 -1.588 -7.687 1.00 0.00 H new ATOM 0 HA MET A 3 11.687 -4.392 -8.267 1.00 0.00 H new ATOM 0 HB2 MET A 3 12.140 -5.136 -5.986 1.00 0.00 H new ATOM 0 HB3 MET A 3 13.574 -4.519 -6.782 1.00 0.00 H new ATOM 0 HG2 MET A 3 12.836 -2.273 -5.480 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.107 -3.455 -4.411 1.00 0.00 H new ATOM 0 HE1 MET A 3 16.529 -2.542 -5.084 1.00 0.00 H new ATOM 0 HE2 MET A 3 15.405 -2.713 -6.454 1.00 0.00 H new ATOM 0 HE3 MET A 3 15.115 -1.470 -5.214 1.00 0.00 H new ATOM 57 N LYS A 4 9.560 -4.356 -6.531 1.00 0.00 N ATOM 58 CA LYS A 4 8.160 -4.167 -6.162 1.00 0.00 C ATOM 59 C LYS A 4 7.717 -5.189 -5.106 1.00 0.00 C ATOM 60 O LYS A 4 6.887 -6.044 -5.398 1.00 0.00 O ATOM 61 CB LYS A 4 7.299 -4.097 -7.454 1.00 0.00 C ATOM 62 CG LYS A 4 7.410 -5.197 -8.531 1.00 0.00 C ATOM 63 CD LYS A 4 6.267 -6.224 -8.536 1.00 0.00 C ATOM 64 CE LYS A 4 6.323 -7.077 -9.809 1.00 0.00 C ATOM 65 NZ LYS A 4 5.222 -8.056 -9.868 1.00 0.00 N ATOM 0 H LYS A 4 9.897 -5.310 -6.403 1.00 0.00 H new ATOM 0 HA LYS A 4 8.012 -3.212 -5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.255 -4.056 -7.143 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.525 -3.148 -7.940 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.454 -4.721 -9.511 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.352 -5.726 -8.391 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.341 -6.865 -7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.307 -5.710 -8.476 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.277 -6.427 -10.683 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.277 -7.602 -9.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.815 -8.064 -10.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.587 -9.003 -9.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.487 -7.793 -9.181 1.00 0.00 H new ATOM 79 N LYS A 5 8.296 -5.130 -3.891 1.00 0.00 N ATOM 80 CA LYS A 5 7.981 -6.101 -2.822 1.00 0.00 C ATOM 81 C LYS A 5 6.536 -5.991 -2.296 1.00 0.00 C ATOM 82 O LYS A 5 5.764 -5.158 -2.768 1.00 0.00 O ATOM 83 CB LYS A 5 8.999 -6.018 -1.669 1.00 0.00 C ATOM 84 CG LYS A 5 10.379 -6.581 -1.995 1.00 0.00 C ATOM 85 CD LYS A 5 11.309 -5.634 -2.758 1.00 0.00 C ATOM 86 CE LYS A 5 12.749 -6.159 -2.712 1.00 0.00 C ATOM 87 NZ LYS A 5 12.932 -7.425 -3.445 1.00 0.00 N ATOM 0 H LYS A 5 8.982 -4.424 -3.625 1.00 0.00 H new ATOM 0 HA LYS A 5 8.061 -7.085 -3.283 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.108 -4.975 -1.373 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.597 -6.553 -0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.865 -6.868 -1.063 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.253 -7.491 -2.582 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.979 -5.544 -3.793 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.263 -4.637 -2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.417 -5.405 -3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.043 -6.304 -1.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.903 -7.770 -3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.259 -8.133 -3.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.763 -7.267 -4.459 1.00 0.00 H new ATOM 101 N TYR A 6 6.177 -6.820 -1.303 1.00 0.00 N ATOM 102 CA TYR A 6 4.836 -6.964 -0.730 1.00 0.00 C ATOM 103 C TYR A 6 4.925 -7.048 0.799 1.00 0.00 C ATOM 104 O TYR A 6 5.911 -7.560 1.334 1.00 0.00 O ATOM 105 CB TYR A 6 4.203 -8.251 -1.275 1.00 0.00 C ATOM 106 CG TYR A 6 4.080 -8.307 -2.788 1.00 0.00 C ATOM 107 CD1 TYR A 6 5.205 -8.658 -3.560 1.00 0.00 C ATOM 108 CD2 TYR A 6 2.868 -7.976 -3.426 1.00 0.00 C ATOM 109 CE1 TYR A 6 5.141 -8.607 -4.962 1.00 0.00 C ATOM 110 CE2 TYR A 6 2.784 -7.985 -4.833 1.00 0.00 C ATOM 111 CZ TYR A 6 3.930 -8.288 -5.608 1.00 0.00 C ATOM 112 OH TYR A 6 3.882 -8.282 -6.970 1.00 0.00 O ATOM 0 H TYR A 6 6.853 -7.440 -0.857 1.00 0.00 H new ATOM 0 HA TYR A 6 4.228 -6.101 -1.002 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.797 -9.102 -0.941 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.210 -8.364 -0.839 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.118 -8.967 -3.073 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.002 -7.715 -2.836 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.024 -8.813 -5.548 1.00 0.00 H new ATOM 0 HE2 TYR A 6 1.846 -7.761 -5.320 1.00 0.00 H new ATOM 0 HH TYR A 6 4.569 -8.885 -7.324 1.00 0.00 H new ATOM 122 N THR A 7 3.911 -6.576 1.527 1.00 0.00 N ATOM 123 CA THR A 7 3.897 -6.580 2.974 1.00 0.00 C ATOM 124 C THR A 7 3.211 -7.844 3.474 1.00 0.00 C ATOM 125 O THR A 7 2.578 -8.613 2.741 1.00 0.00 O ATOM 126 CB THR A 7 3.186 -5.321 3.508 1.00 0.00 C ATOM 127 OG1 THR A 7 1.824 -5.330 3.159 1.00 0.00 O ATOM 128 CG2 THR A 7 3.837 -4.031 3.016 1.00 0.00 C ATOM 0 H THR A 7 3.069 -6.177 1.113 1.00 0.00 H new ATOM 0 HA THR A 7 4.922 -6.568 3.344 1.00 0.00 H new ATOM 0 HB THR A 7 3.282 -5.347 4.593 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.378 -4.556 3.561 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.298 -3.174 3.421 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.875 -3.997 3.348 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.804 -3.999 1.927 1.00 0.00 H new ATOM 136 N LYS A 8 3.318 -8.017 4.782 1.00 0.00 N ATOM 137 CA LYS A 8 2.572 -9.000 5.557 1.00 0.00 C ATOM 138 C LYS A 8 1.112 -8.555 5.653 1.00 0.00 C ATOM 139 O LYS A 8 0.206 -9.385 5.640 1.00 0.00 O ATOM 140 CB LYS A 8 3.191 -9.146 6.958 1.00 0.00 C ATOM 141 CG LYS A 8 4.714 -9.387 6.958 1.00 0.00 C ATOM 142 CD LYS A 8 5.309 -9.276 8.362 1.00 0.00 C ATOM 143 CE LYS A 8 4.614 -10.291 9.265 1.00 0.00 C ATOM 144 NZ LYS A 8 5.380 -10.564 10.490 1.00 0.00 N ATOM 0 H LYS A 8 3.949 -7.457 5.355 1.00 0.00 H new ATOM 0 HA LYS A 8 2.617 -9.971 5.064 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.978 -8.244 7.532 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.704 -9.974 7.473 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.925 -10.376 6.552 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.196 -8.663 6.301 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.382 -9.466 8.335 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.174 -8.267 8.752 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.625 -9.919 9.533 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.467 -11.221 8.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.869 -11.259 11.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.314 -10.944 10.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.499 -9.682 11.029 1.00 0.00 H new ATOM 158 N THR A 9 0.878 -7.247 5.703 1.00 0.00 N ATOM 159 CA THR A 9 -0.401 -6.581 5.875 1.00 0.00 C ATOM 160 C THR A 9 -1.080 -6.303 4.523 1.00 0.00 C ATOM 161 O THR A 9 -1.656 -5.238 4.310 1.00 0.00 O ATOM 162 CB THR A 9 -0.119 -5.325 6.728 1.00 0.00 C ATOM 163 OG1 THR A 9 1.084 -4.687 6.326 1.00 0.00 O ATOM 164 CG2 THR A 9 0.090 -5.721 8.196 1.00 0.00 C ATOM 0 H THR A 9 1.641 -6.576 5.617 1.00 0.00 H new ATOM 0 HA THR A 9 -1.127 -7.206 6.395 1.00 0.00 H new ATOM 0 HB THR A 9 -0.974 -4.661 6.599 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.872 -3.919 5.755 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.288 -4.828 8.789 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.807 -6.214 8.571 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.937 -6.402 8.272 1.00 0.00 H new ATOM 172 N HIS A 10 -1.061 -7.283 3.607 1.00 0.00 N ATOM 173 CA HIS A 10 -1.786 -7.296 2.333 1.00 0.00 C ATOM 174 C HIS A 10 -1.633 -6.011 1.508 1.00 0.00 C ATOM 175 O HIS A 10 -2.620 -5.490 0.974 1.00 0.00 O ATOM 176 CB HIS A 10 -3.245 -7.734 2.568 1.00 0.00 C ATOM 177 CG HIS A 10 -4.037 -6.811 3.450 1.00 0.00 C ATOM 178 ND1 HIS A 10 -4.346 -5.507 3.135 1.00 0.00 N ATOM 179 CD2 HIS A 10 -4.513 -7.080 4.699 1.00 0.00 C ATOM 180 CE1 HIS A 10 -5.021 -4.991 4.170 1.00 0.00 C ATOM 181 NE2 HIS A 10 -5.133 -5.927 5.131 1.00 0.00 N ATOM 0 H HIS A 10 -0.510 -8.130 3.745 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.318 -8.042 1.691 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.747 -7.814 1.604 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -3.245 -8.730 3.012 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -4.105 -5.022 2.271 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.422 -8.010 5.241 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.412 -3.986 4.225 1.00 0.00 H new ATOM 190 N GLU A 11 -0.410 -5.510 1.364 1.00 0.00 N ATOM 191 CA GLU A 11 -0.063 -4.418 0.465 1.00 0.00 C ATOM 192 C GLU A 11 0.988 -4.893 -0.516 1.00 0.00 C ATOM 193 O GLU A 11 1.741 -5.838 -0.256 1.00 0.00 O ATOM 194 CB GLU A 11 0.469 -3.174 1.195 1.00 0.00 C ATOM 195 CG GLU A 11 -0.452 -2.597 2.274 1.00 0.00 C ATOM 196 CD GLU A 11 0.365 -2.234 3.516 1.00 0.00 C ATOM 197 OE1 GLU A 11 0.737 -3.184 4.252 1.00 0.00 O ATOM 198 OE2 GLU A 11 0.644 -1.030 3.706 1.00 0.00 O ATOM 0 H GLU A 11 0.391 -5.865 1.887 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.982 -4.127 -0.044 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.425 -3.425 1.655 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.665 -2.397 0.456 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.963 -1.713 1.893 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.222 -3.323 2.534 1.00 0.00 H new ATOM 205 N TRP A 12 1.054 -4.180 -1.631 1.00 0.00 N ATOM 206 CA TRP A 12 2.133 -4.222 -2.590 1.00 0.00 C ATOM 207 C TRP A 12 2.898 -2.908 -2.472 1.00 0.00 C ATOM 208 O TRP A 12 2.407 -1.921 -1.916 1.00 0.00 O ATOM 209 CB TRP A 12 1.547 -4.397 -3.991 1.00 0.00 C ATOM 210 CG TRP A 12 0.530 -3.374 -4.391 1.00 0.00 C ATOM 211 CD1 TRP A 12 -0.802 -3.480 -4.200 1.00 0.00 C ATOM 212 CD2 TRP A 12 0.732 -2.097 -5.065 1.00 0.00 C ATOM 213 NE1 TRP A 12 -1.441 -2.388 -4.743 1.00 0.00 N ATOM 214 CE2 TRP A 12 -0.546 -1.524 -5.326 1.00 0.00 C ATOM 215 CE3 TRP A 12 1.857 -1.383 -5.527 1.00 0.00 C ATOM 216 CZ2 TRP A 12 -0.710 -0.364 -6.090 1.00 0.00 C ATOM 217 CZ3 TRP A 12 1.701 -0.184 -6.245 1.00 0.00 C ATOM 218 CH2 TRP A 12 0.426 0.305 -6.564 1.00 0.00 C ATOM 0 H TRP A 12 0.318 -3.527 -1.898 1.00 0.00 H new ATOM 0 HA TRP A 12 2.809 -5.056 -2.402 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.363 -4.376 -4.713 1.00 0.00 H new ATOM 0 HB3 TRP A 12 1.090 -5.384 -4.055 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -1.293 -4.299 -3.696 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.450 -2.239 -4.716 1.00 0.00 H new ATOM 0 HE3 TRP A 12 2.849 -1.761 -5.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.698 0.011 -6.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.576 0.368 -6.555 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.320 1.192 -7.171 1.00 0.00 H new ATOM 229 N VAL A 13 4.107 -2.900 -3.012 1.00 0.00 N ATOM 230 CA VAL A 13 5.012 -1.769 -3.032 1.00 0.00 C ATOM 231 C VAL A 13 5.593 -1.726 -4.454 1.00 0.00 C ATOM 232 O VAL A 13 5.610 -2.750 -5.140 1.00 0.00 O ATOM 233 CB VAL A 13 6.083 -1.935 -1.921 1.00 0.00 C ATOM 234 CG1 VAL A 13 6.676 -0.583 -1.534 1.00 0.00 C ATOM 235 CG2 VAL A 13 5.573 -2.595 -0.623 1.00 0.00 C ATOM 0 H VAL A 13 4.499 -3.723 -3.469 1.00 0.00 H new ATOM 0 HA VAL A 13 4.522 -0.820 -2.816 1.00 0.00 H new ATOM 0 HB VAL A 13 6.825 -2.598 -2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.424 -0.724 -0.754 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.143 -0.127 -2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.885 0.069 -1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.391 -2.668 0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.772 -1.991 -0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.196 -3.593 -0.846 1.00 0.00 H new ATOM 245 N SER A 14 6.030 -0.556 -4.918 1.00 0.00 N ATOM 246 CA SER A 14 6.464 -0.304 -6.295 1.00 0.00 C ATOM 247 C SER A 14 7.638 0.665 -6.292 1.00 0.00 C ATOM 248 O SER A 14 7.464 1.869 -6.444 1.00 0.00 O ATOM 249 CB SER A 14 5.304 0.308 -7.069 1.00 0.00 C ATOM 250 OG SER A 14 4.588 -0.677 -7.782 1.00 0.00 O ATOM 0 H SER A 14 6.095 0.272 -4.326 1.00 0.00 H new ATOM 0 HA SER A 14 6.773 -1.239 -6.762 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.633 0.820 -6.379 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.682 1.059 -7.762 1.00 0.00 H new ATOM 0 HG SER A 14 3.661 -0.701 -7.466 1.00 0.00 H new ATOM 256 N ILE A 15 8.833 0.156 -6.030 1.00 0.00 N ATOM 257 CA ILE A 15 10.064 0.913 -5.923 1.00 0.00 C ATOM 258 C ILE A 15 10.594 1.193 -7.328 1.00 0.00 C ATOM 259 O ILE A 15 10.946 0.270 -8.068 1.00 0.00 O ATOM 260 CB ILE A 15 11.017 0.108 -5.005 1.00 0.00 C ATOM 261 CG1 ILE A 15 10.705 0.452 -3.532 1.00 0.00 C ATOM 262 CG2 ILE A 15 12.487 0.414 -5.253 1.00 0.00 C ATOM 263 CD1 ILE A 15 10.375 -0.732 -2.642 1.00 0.00 C ATOM 0 H ILE A 15 8.973 -0.843 -5.880 1.00 0.00 H new ATOM 0 HA ILE A 15 9.935 1.894 -5.465 1.00 0.00 H new ATOM 0 HB ILE A 15 10.851 -0.946 -5.226 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.563 0.974 -3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.866 1.147 -3.509 1.00 0.00 H new ATOM 0 HG21 ILE A 15 13.102 -0.182 -4.578 1.00 0.00 H new ATOM 0 HG22 ILE A 15 12.740 0.171 -6.285 1.00 0.00 H new ATOM 0 HG23 ILE A 15 12.674 1.473 -5.074 1.00 0.00 H new ATOM 0 HD11 ILE A 15 10.172 -0.381 -1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.496 -1.246 -3.031 1.00 0.00 H new ATOM 0 HD13 ILE A 15 11.220 -1.421 -2.625 1.00 0.00 H new ATOM 275 N GLU A 16 10.680 2.468 -7.706 1.00 0.00 N ATOM 276 CA GLU A 16 11.237 2.887 -8.984 1.00 0.00 C ATOM 277 C GLU A 16 12.521 3.676 -8.732 1.00 0.00 C ATOM 278 O GLU A 16 13.536 3.020 -8.486 1.00 0.00 O ATOM 279 CB GLU A 16 10.175 3.487 -9.918 1.00 0.00 C ATOM 280 CG GLU A 16 9.137 4.401 -9.252 1.00 0.00 C ATOM 281 CD GLU A 16 8.114 4.902 -10.270 1.00 0.00 C ATOM 282 OE1 GLU A 16 7.239 4.126 -10.714 1.00 0.00 O ATOM 283 OE2 GLU A 16 8.177 6.094 -10.653 1.00 0.00 O ATOM 0 H GLU A 16 10.361 3.244 -7.125 1.00 0.00 H new ATOM 0 HA GLU A 16 11.559 2.035 -9.583 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.683 4.054 -10.698 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.648 2.670 -10.410 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.627 3.858 -8.456 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.639 5.250 -8.788 1.00 0.00 H new ATOM 290 N ASP A 17 12.560 5.013 -8.778 1.00 0.00 N ATOM 291 CA ASP A 17 13.839 5.717 -8.581 1.00 0.00 C ATOM 292 C ASP A 17 14.273 5.704 -7.121 1.00 0.00 C ATOM 293 O ASP A 17 15.301 5.127 -6.770 1.00 0.00 O ATOM 294 CB ASP A 17 13.816 7.163 -9.083 1.00 0.00 C ATOM 295 CG ASP A 17 15.208 7.501 -9.633 1.00 0.00 C ATOM 296 OD1 ASP A 17 15.485 7.128 -10.801 1.00 0.00 O ATOM 297 OD2 ASP A 17 16.050 8.056 -8.891 1.00 0.00 O ATOM 0 H ASP A 17 11.753 5.615 -8.944 1.00 0.00 H new ATOM 0 HA ASP A 17 14.561 5.164 -9.181 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.061 7.284 -9.860 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.552 7.843 -8.273 1.00 0.00 H new ATOM 302 N LYS A 18 13.473 6.350 -6.277 1.00 0.00 N ATOM 303 CA LYS A 18 13.662 6.589 -4.837 1.00 0.00 C ATOM 304 C LYS A 18 12.300 6.761 -4.154 1.00 0.00 C ATOM 305 O LYS A 18 12.246 7.120 -2.979 1.00 0.00 O ATOM 306 CB LYS A 18 14.529 7.848 -4.590 1.00 0.00 C ATOM 307 CG LYS A 18 15.941 7.736 -5.184 1.00 0.00 C ATOM 308 CD LYS A 18 16.781 9.011 -5.047 1.00 0.00 C ATOM 309 CE LYS A 18 18.199 8.842 -5.623 1.00 0.00 C ATOM 310 NZ LYS A 18 18.228 8.166 -6.945 1.00 0.00 N ATOM 0 H LYS A 18 12.598 6.758 -6.606 1.00 0.00 H new ATOM 0 HA LYS A 18 14.178 5.727 -4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.029 8.716 -5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.606 8.023 -3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.465 6.914 -4.695 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.860 7.479 -6.240 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.278 9.831 -5.560 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.849 9.287 -3.995 1.00 0.00 H new ATOM 0 HE2 LYS A 18 18.663 9.824 -5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 18 18.802 8.270 -4.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 19.042 8.510 -7.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 18.312 7.139 -6.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.350 8.375 -7.461 1.00 0.00 H new ATOM 324 N VAL A 19 11.203 6.506 -4.867 1.00 0.00 N ATOM 325 CA VAL A 19 9.849 6.630 -4.361 1.00 0.00 C ATOM 326 C VAL A 19 9.141 5.313 -4.653 1.00 0.00 C ATOM 327 O VAL A 19 9.123 4.858 -5.803 1.00 0.00 O ATOM 328 CB VAL A 19 9.157 7.843 -5.010 1.00 0.00 C ATOM 329 CG1 VAL A 19 7.661 7.914 -4.677 1.00 0.00 C ATOM 330 CG2 VAL A 19 9.796 9.152 -4.524 1.00 0.00 C ATOM 0 H VAL A 19 11.240 6.199 -5.839 1.00 0.00 H new ATOM 0 HA VAL A 19 9.828 6.811 -3.286 1.00 0.00 H new ATOM 0 HB VAL A 19 9.280 7.718 -6.086 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.222 8.787 -5.159 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.165 7.013 -5.037 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.532 7.992 -3.598 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.294 9.998 -4.993 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.696 9.226 -3.441 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.852 9.163 -4.792 1.00 0.00 H new ATOM 340 N ALA A 20 8.558 4.703 -3.621 1.00 0.00 N ATOM 341 CA ALA A 20 7.643 3.591 -3.784 1.00 0.00 C ATOM 342 C ALA A 20 6.218 4.105 -3.904 1.00 0.00 C ATOM 343 O ALA A 20 5.811 4.997 -3.159 1.00 0.00 O ATOM 344 CB ALA A 20 7.736 2.612 -2.614 1.00 0.00 C ATOM 0 H ALA A 20 8.712 4.972 -2.649 1.00 0.00 H new ATOM 0 HA ALA A 20 7.923 3.061 -4.695 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.036 1.791 -2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.750 2.217 -2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.488 3.129 -1.687 1.00 0.00 H new ATOM 350 N THR A 21 5.436 3.467 -4.767 1.00 0.00 N ATOM 351 CA THR A 21 3.976 3.529 -4.688 1.00 0.00 C ATOM 352 C THR A 21 3.523 2.405 -3.752 1.00 0.00 C ATOM 353 O THR A 21 4.223 1.390 -3.647 1.00 0.00 O ATOM 354 CB THR A 21 3.371 3.410 -6.099 1.00 0.00 C ATOM 355 OG1 THR A 21 4.029 4.297 -6.979 1.00 0.00 O ATOM 356 CG2 THR A 21 1.870 3.706 -6.150 1.00 0.00 C ATOM 0 H THR A 21 5.789 2.896 -5.535 1.00 0.00 H new ATOM 0 HA THR A 21 3.631 4.482 -4.287 1.00 0.00 H new ATOM 0 HB THR A 21 3.512 2.372 -6.399 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.456 3.787 -7.699 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.513 3.603 -7.175 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.339 3.003 -5.508 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.688 4.723 -5.803 1.00 0.00 H new ATOM 364 N VAL A 22 2.386 2.586 -3.077 1.00 0.00 N ATOM 365 CA VAL A 22 1.787 1.605 -2.179 1.00 0.00 C ATOM 366 C VAL A 22 0.271 1.536 -2.438 1.00 0.00 C ATOM 367 O VAL A 22 -0.375 2.569 -2.645 1.00 0.00 O ATOM 368 CB VAL A 22 2.076 2.002 -0.711 1.00 0.00 C ATOM 369 CG1 VAL A 22 1.877 0.793 0.216 1.00 0.00 C ATOM 370 CG2 VAL A 22 3.488 2.571 -0.452 1.00 0.00 C ATOM 0 H VAL A 22 1.843 3.447 -3.144 1.00 0.00 H new ATOM 0 HA VAL A 22 2.218 0.621 -2.362 1.00 0.00 H new ATOM 0 HB VAL A 22 1.367 2.802 -0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.083 1.086 1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.849 0.440 0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.558 -0.006 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.592 2.819 0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.236 1.827 -0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.634 3.470 -1.051 1.00 0.00 H new ATOM 380 N GLY A 23 -0.306 0.334 -2.367 1.00 0.00 N ATOM 381 CA GLY A 23 -1.740 0.090 -2.243 1.00 0.00 C ATOM 382 C GLY A 23 -1.966 -1.310 -1.665 1.00 0.00 C ATOM 383 O GLY A 23 -1.016 -2.092 -1.543 1.00 0.00 O ATOM 0 H GLY A 23 0.237 -0.529 -2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.194 0.841 -1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.221 0.176 -3.217 1.00 0.00 H new ATOM 387 N ILE A 24 -3.203 -1.652 -1.292 1.00 0.00 N ATOM 388 CA ILE A 24 -3.528 -3.007 -0.844 1.00 0.00 C ATOM 389 C ILE A 24 -3.649 -3.962 -2.044 1.00 0.00 C ATOM 390 O ILE A 24 -3.958 -3.543 -3.160 1.00 0.00 O ATOM 391 CB ILE A 24 -4.733 -3.045 0.119 1.00 0.00 C ATOM 392 CG1 ILE A 24 -6.051 -2.516 -0.476 1.00 0.00 C ATOM 393 CG2 ILE A 24 -4.369 -2.286 1.406 1.00 0.00 C ATOM 394 CD1 ILE A 24 -7.322 -2.900 0.303 1.00 0.00 C ATOM 0 H ILE A 24 -3.994 -1.009 -1.292 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.697 -3.373 -0.241 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.930 -4.096 0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.994 -1.429 -0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.144 -2.886 -1.497 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.215 -2.308 2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.507 -2.760 1.877 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.126 -1.252 1.162 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.195 -2.480 -0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.412 -3.986 0.340 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.260 -2.506 1.318 1.00 0.00 H new ATOM 406 N THR A 25 -3.377 -5.252 -1.848 1.00 0.00 N ATOM 407 CA THR A 25 -3.411 -6.243 -2.925 1.00 0.00 C ATOM 408 C THR A 25 -4.835 -6.723 -3.237 1.00 0.00 C ATOM 409 O THR A 25 -5.786 -6.474 -2.491 1.00 0.00 O ATOM 410 CB THR A 25 -2.503 -7.424 -2.549 1.00 0.00 C ATOM 411 OG1 THR A 25 -2.761 -7.877 -1.233 1.00 0.00 O ATOM 412 CG2 THR A 25 -1.026 -7.044 -2.652 1.00 0.00 C ATOM 0 H THR A 25 -3.127 -5.640 -0.938 1.00 0.00 H new ATOM 0 HA THR A 25 -3.044 -5.769 -3.835 1.00 0.00 H new ATOM 0 HB THR A 25 -2.724 -8.223 -3.257 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.500 -8.818 -1.154 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.410 -7.901 -2.380 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.798 -6.744 -3.675 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.815 -6.216 -1.975 1.00 0.00 H new ATOM 420 N ASN A 26 -4.984 -7.498 -4.314 1.00 0.00 N ATOM 421 CA ASN A 26 -6.247 -8.119 -4.717 1.00 0.00 C ATOM 422 C ASN A 26 -6.810 -9.079 -3.657 1.00 0.00 C ATOM 423 O ASN A 26 -8.014 -9.320 -3.627 1.00 0.00 O ATOM 424 CB ASN A 26 -6.066 -8.834 -6.069 1.00 0.00 C ATOM 425 CG ASN A 26 -7.142 -8.478 -7.094 1.00 0.00 C ATOM 426 OD1 ASN A 26 -6.797 -8.102 -8.204 1.00 0.00 O ATOM 427 ND2 ASN A 26 -8.424 -8.535 -6.780 1.00 0.00 N ATOM 0 H ASN A 26 -4.212 -7.716 -4.944 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.983 -7.322 -4.821 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.088 -8.580 -6.477 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.073 -9.912 -5.905 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.129 -8.265 -7.465 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.708 -8.849 -5.852 1.00 0.00 H new ATOM 434 N HIS A 27 -6.004 -9.610 -2.733 1.00 0.00 N ATOM 435 CA HIS A 27 -6.531 -10.349 -1.577 1.00 0.00 C ATOM 436 C HIS A 27 -7.305 -9.439 -0.625 1.00 0.00 C ATOM 437 O HIS A 27 -8.233 -9.882 0.037 1.00 0.00 O ATOM 438 CB HIS A 27 -5.376 -11.011 -0.814 1.00 0.00 C ATOM 439 CG HIS A 27 -5.839 -12.051 0.176 1.00 0.00 C ATOM 440 ND1 HIS A 27 -6.276 -13.319 -0.156 1.00 0.00 N ATOM 441 CD2 HIS A 27 -5.921 -11.916 1.539 1.00 0.00 C ATOM 442 CE1 HIS A 27 -6.592 -13.950 0.983 1.00 0.00 C ATOM 443 NE2 HIS A 27 -6.369 -13.130 2.023 1.00 0.00 N ATOM 0 H HIS A 27 -4.987 -9.543 -2.761 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.217 -11.106 -1.956 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.696 -11.475 -1.528 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.809 -10.243 -0.287 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.683 -11.036 2.118 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.967 -14.960 1.054 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.507 -13.364 3.006 1.00 0.00 H new ATOM 452 N ALA A 28 -6.936 -8.167 -0.519 1.00 0.00 N ATOM 453 CA ALA A 28 -7.505 -7.273 0.473 1.00 0.00 C ATOM 454 C ALA A 28 -8.855 -6.720 0.026 1.00 0.00 C ATOM 455 O ALA A 28 -9.790 -6.697 0.825 1.00 0.00 O ATOM 456 CB ALA A 28 -6.521 -6.144 0.687 1.00 0.00 C ATOM 0 H ALA A 28 -6.235 -7.731 -1.119 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.680 -7.820 1.400 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.918 -5.451 1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.573 -6.550 1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.362 -5.617 -0.254 1.00 0.00 H new ATOM 462 N GLN A 29 -8.990 -6.318 -1.250 1.00 0.00 N ATOM 463 CA GLN A 29 -10.288 -5.876 -1.776 1.00 0.00 C ATOM 464 C GLN A 29 -11.357 -6.951 -1.595 1.00 0.00 C ATOM 465 O GLN A 29 -12.540 -6.647 -1.563 1.00 0.00 O ATOM 466 CB GLN A 29 -10.192 -5.432 -3.246 1.00 0.00 C ATOM 467 CG GLN A 29 -9.738 -6.462 -4.282 1.00 0.00 C ATOM 468 CD GLN A 29 -10.807 -7.479 -4.635 1.00 0.00 C ATOM 469 OE1 GLN A 29 -11.820 -7.157 -5.241 1.00 0.00 O ATOM 470 NE2 GLN A 29 -10.613 -8.729 -4.254 1.00 0.00 N ATOM 0 H GLN A 29 -8.226 -6.291 -1.926 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.587 -5.005 -1.194 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.173 -5.065 -3.548 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.507 -4.586 -3.295 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.430 -5.942 -5.189 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.861 -6.986 -3.901 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.763 -8.982 -3.750 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.313 -9.441 -4.464 1.00 0.00 H new ATOM 479 N GLU A 30 -10.939 -8.207 -1.453 1.00 0.00 N ATOM 480 CA GLU A 30 -11.818 -9.353 -1.383 1.00 0.00 C ATOM 481 C GLU A 30 -12.666 -9.266 -0.110 1.00 0.00 C ATOM 482 O GLU A 30 -13.881 -9.442 -0.137 1.00 0.00 O ATOM 483 CB GLU A 30 -10.939 -10.614 -1.533 1.00 0.00 C ATOM 484 CG GLU A 30 -10.836 -11.481 -0.286 1.00 0.00 C ATOM 485 CD GLU A 30 -9.879 -12.670 -0.330 1.00 0.00 C ATOM 486 OE1 GLU A 30 -9.252 -12.903 -1.391 1.00 0.00 O ATOM 487 OE2 GLU A 30 -9.789 -13.356 0.720 1.00 0.00 O ATOM 0 H GLU A 30 -9.952 -8.453 -1.382 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.551 -9.392 -2.189 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.337 -11.221 -2.347 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.935 -10.306 -1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.539 -10.841 0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.832 -11.859 -0.057 1.00 0.00 H new ATOM 494 N GLN A 31 -11.997 -8.956 1.000 1.00 0.00 N ATOM 495 CA GLN A 31 -12.581 -8.838 2.327 1.00 0.00 C ATOM 496 C GLN A 31 -13.261 -7.488 2.549 1.00 0.00 C ATOM 497 O GLN A 31 -14.172 -7.403 3.375 1.00 0.00 O ATOM 498 CB GLN A 31 -11.500 -9.035 3.412 1.00 0.00 C ATOM 499 CG GLN A 31 -10.795 -10.402 3.492 1.00 0.00 C ATOM 500 CD GLN A 31 -11.644 -11.608 3.923 1.00 0.00 C ATOM 501 OE1 GLN A 31 -11.106 -12.595 4.411 1.00 0.00 O ATOM 502 NE2 GLN A 31 -12.954 -11.623 3.764 1.00 0.00 N ATOM 0 H GLN A 31 -10.993 -8.774 0.994 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.339 -9.618 2.401 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.735 -8.273 3.263 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.960 -8.840 4.381 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.371 -10.621 2.512 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.960 -10.311 4.187 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.428 -10.815 3.360 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.492 -12.443 4.045 1.00 0.00 H new ATOM 511 N LEU A 32 -12.809 -6.437 1.866 1.00 0.00 N ATOM 512 CA LEU A 32 -13.399 -5.107 1.972 1.00 0.00 C ATOM 513 C LEU A 32 -14.682 -5.053 1.153 1.00 0.00 C ATOM 514 O LEU A 32 -15.684 -4.523 1.634 1.00 0.00 O ATOM 515 CB LEU A 32 -12.408 -4.051 1.463 1.00 0.00 C ATOM 516 CG LEU A 32 -11.323 -3.572 2.453 1.00 0.00 C ATOM 517 CD1 LEU A 32 -11.773 -2.313 3.200 1.00 0.00 C ATOM 518 CD2 LEU A 32 -10.879 -4.633 3.467 1.00 0.00 C ATOM 0 H LEU A 32 -12.020 -6.486 1.221 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.629 -4.898 3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.908 -4.452 0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.978 -3.181 1.138 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.456 -3.351 1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.989 -1.999 3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.967 -1.515 2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.684 -2.528 3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.116 -4.213 4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.736 -4.948 4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.469 -5.493 2.938 1.00 0.00 H new ATOM 530 N GLY A 33 -14.649 -5.603 -0.058 1.00 0.00 N ATOM 531 CA GLY A 33 -15.696 -5.473 -1.045 1.00 0.00 C ATOM 532 C GLY A 33 -15.837 -4.024 -1.497 1.00 0.00 C ATOM 533 O GLY A 33 -14.863 -3.257 -1.520 1.00 0.00 O ATOM 0 H GLY A 33 -13.864 -6.168 -0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.473 -6.106 -1.904 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.641 -5.822 -0.628 1.00 0.00 H new ATOM 537 N ASP A 34 -17.071 -3.688 -1.867 1.00 0.00 N ATOM 538 CA ASP A 34 -17.572 -2.368 -2.216 1.00 0.00 C ATOM 539 C ASP A 34 -17.079 -1.379 -1.160 1.00 0.00 C ATOM 540 O ASP A 34 -17.421 -1.499 0.022 1.00 0.00 O ATOM 541 CB ASP A 34 -19.112 -2.375 -2.277 1.00 0.00 C ATOM 542 CG ASP A 34 -19.699 -3.355 -3.297 1.00 0.00 C ATOM 543 OD1 ASP A 34 -19.713 -3.049 -4.510 1.00 0.00 O ATOM 544 OD2 ASP A 34 -20.114 -4.466 -2.882 1.00 0.00 O ATOM 0 H ASP A 34 -17.804 -4.394 -1.935 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.205 -2.075 -3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.502 -2.621 -1.289 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.459 -1.370 -2.516 1.00 0.00 H new ATOM 549 N VAL A 35 -16.225 -0.434 -1.556 1.00 0.00 N ATOM 550 CA VAL A 35 -15.693 0.580 -0.657 1.00 0.00 C ATOM 551 C VAL A 35 -16.254 1.944 -1.018 1.00 0.00 C ATOM 552 O VAL A 35 -17.027 2.116 -1.948 1.00 0.00 O ATOM 553 CB VAL A 35 -14.174 0.464 -0.482 1.00 0.00 C ATOM 554 CG1 VAL A 35 -13.251 0.770 -1.616 1.00 0.00 C ATOM 555 CG2 VAL A 35 -13.634 1.114 0.796 1.00 0.00 C ATOM 0 H VAL A 35 -15.884 -0.354 -2.514 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.044 0.407 0.360 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.143 -0.624 -0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.219 0.629 -1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.465 0.101 -2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.394 1.803 -1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.552 0.986 0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.874 2.177 0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.091 0.642 1.666 1.00 0.00 H new ATOM 565 N VAL A 36 -15.940 2.900 -0.175 1.00 0.00 N ATOM 566 CA VAL A 36 -16.728 4.086 0.051 1.00 0.00 C ATOM 567 C VAL A 36 -15.835 5.143 0.683 1.00 0.00 C ATOM 568 O VAL A 36 -16.124 6.329 0.545 1.00 0.00 O ATOM 569 CB VAL A 36 -17.900 3.744 0.995 1.00 0.00 C ATOM 570 CG1 VAL A 36 -19.188 3.505 0.196 1.00 0.00 C ATOM 571 CG2 VAL A 36 -17.706 2.522 1.908 1.00 0.00 C ATOM 0 H VAL A 36 -15.094 2.870 0.394 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.132 4.463 -0.889 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.955 4.619 1.642 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -20.002 3.265 0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -19.440 4.404 -0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -19.039 2.675 -0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.595 2.383 2.523 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.545 1.634 1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.841 2.682 2.551 1.00 0.00 H new ATOM 581 N TYR A 37 -14.753 4.729 1.344 1.00 0.00 N ATOM 582 CA TYR A 37 -13.793 5.673 1.894 1.00 0.00 C ATOM 583 C TYR A 37 -12.385 5.101 1.874 1.00 0.00 C ATOM 584 O TYR A 37 -12.194 3.920 2.181 1.00 0.00 O ATOM 585 CB TYR A 37 -14.181 6.034 3.332 1.00 0.00 C ATOM 586 CG TYR A 37 -13.204 6.998 3.972 1.00 0.00 C ATOM 587 CD1 TYR A 37 -12.973 8.257 3.384 1.00 0.00 C ATOM 588 CD2 TYR A 37 -12.468 6.610 5.108 1.00 0.00 C ATOM 589 CE1 TYR A 37 -12.026 9.130 3.942 1.00 0.00 C ATOM 590 CE2 TYR A 37 -11.546 7.494 5.688 1.00 0.00 C ATOM 591 CZ TYR A 37 -11.336 8.768 5.120 1.00 0.00 C ATOM 592 OH TYR A 37 -10.488 9.641 5.728 1.00 0.00 O ATOM 0 H TYR A 37 -14.524 3.749 1.508 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.808 6.569 1.274 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -15.177 6.476 3.336 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.233 5.124 3.930 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.525 8.551 2.503 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -12.614 5.628 5.534 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.825 10.080 3.470 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.997 7.199 6.570 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.290 9.327 6.635 1.00 0.00 H new ATOM 602 N VAL A 38 -11.403 5.957 1.583 1.00 0.00 N ATOM 603 CA VAL A 38 -10.014 5.714 1.929 1.00 0.00 C ATOM 604 C VAL A 38 -9.461 6.994 2.530 1.00 0.00 C ATOM 605 O VAL A 38 -9.657 8.100 2.011 1.00 0.00 O ATOM 606 CB VAL A 38 -9.180 5.115 0.762 1.00 0.00 C ATOM 607 CG1 VAL A 38 -10.005 4.318 -0.267 1.00 0.00 C ATOM 608 CG2 VAL A 38 -8.362 6.157 -0.014 1.00 0.00 C ATOM 0 H VAL A 38 -11.557 6.841 1.098 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.943 4.925 2.678 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.510 4.435 1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.345 3.936 -1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.499 3.484 0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.755 4.970 -0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.807 5.663 -0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.034 6.900 -0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.664 6.649 0.663 1.00 0.00 H new ATOM 618 N ASP A 39 -8.790 6.817 3.655 1.00 0.00 N ATOM 619 CA ASP A 39 -7.984 7.825 4.291 1.00 0.00 C ATOM 620 C ASP A 39 -6.701 7.973 3.484 1.00 0.00 C ATOM 621 O ASP A 39 -6.140 6.977 3.019 1.00 0.00 O ATOM 622 CB ASP A 39 -7.751 7.422 5.758 1.00 0.00 C ATOM 623 CG ASP A 39 -6.463 7.939 6.396 1.00 0.00 C ATOM 624 OD1 ASP A 39 -6.159 9.150 6.297 1.00 0.00 O ATOM 625 OD2 ASP A 39 -5.802 7.123 7.081 1.00 0.00 O ATOM 0 H ASP A 39 -8.797 5.932 4.163 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.472 8.799 4.312 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.595 7.777 6.350 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.753 6.334 5.820 1.00 0.00 H new ATOM 630 N LEU A 40 -6.258 9.211 3.268 1.00 0.00 N ATOM 631 CA LEU A 40 -5.041 9.520 2.543 1.00 0.00 C ATOM 632 C LEU A 40 -4.243 10.520 3.377 1.00 0.00 C ATOM 633 O LEU A 40 -4.794 11.528 3.826 1.00 0.00 O ATOM 634 CB LEU A 40 -5.329 10.107 1.157 1.00 0.00 C ATOM 635 CG LEU A 40 -6.072 9.162 0.197 1.00 0.00 C ATOM 636 CD1 LEU A 40 -6.455 9.923 -1.073 1.00 0.00 C ATOM 637 CD2 LEU A 40 -5.196 7.963 -0.181 1.00 0.00 C ATOM 0 H LEU A 40 -6.750 10.040 3.602 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.478 8.600 2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.919 11.016 1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.384 10.399 0.698 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.966 8.796 0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.981 9.254 -1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.103 10.760 -0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.554 10.298 -1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.745 7.311 -0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.288 8.316 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.930 7.408 0.719 1.00 0.00 H new ATOM 649 N PRO A 41 -2.946 10.267 3.576 1.00 0.00 N ATOM 650 CA PRO A 41 -2.084 11.096 4.396 1.00 0.00 C ATOM 651 C PRO A 41 -1.680 12.406 3.712 1.00 0.00 C ATOM 652 O PRO A 41 -2.027 12.674 2.559 1.00 0.00 O ATOM 653 CB PRO A 41 -0.880 10.213 4.684 1.00 0.00 C ATOM 654 CG PRO A 41 -0.809 9.226 3.519 1.00 0.00 C ATOM 655 CD PRO A 41 -2.241 9.125 3.033 1.00 0.00 C ATOM 0 HA PRO A 41 -2.592 11.424 5.303 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.033 10.805 4.753 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.994 9.691 5.634 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.145 9.585 2.732 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.428 8.257 3.840 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.281 9.128 1.944 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.698 8.193 3.367 1.00 0.00 H new ATOM 663 N GLU A 42 -0.891 13.223 4.411 1.00 0.00 N ATOM 664 CA GLU A 42 -0.360 14.460 3.868 1.00 0.00 C ATOM 665 C GLU A 42 0.892 14.201 3.026 1.00 0.00 C ATOM 666 O GLU A 42 1.619 13.239 3.267 1.00 0.00 O ATOM 667 CB GLU A 42 -0.024 15.406 5.022 1.00 0.00 C ATOM 668 CG GLU A 42 -0.735 16.740 4.812 1.00 0.00 C ATOM 669 CD GLU A 42 -2.205 16.770 5.250 1.00 0.00 C ATOM 670 OE1 GLU A 42 -2.583 16.072 6.215 1.00 0.00 O ATOM 671 OE2 GLU A 42 -2.956 17.592 4.677 1.00 0.00 O ATOM 0 H GLU A 42 -0.605 13.039 5.373 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.112 14.911 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.331 14.964 5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.054 15.561 5.077 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.194 17.513 5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.682 17.000 3.755 1.00 0.00 H new ATOM 678 N VAL A 43 1.212 15.110 2.102 1.00 0.00 N ATOM 679 CA VAL A 43 2.171 14.871 1.010 1.00 0.00 C ATOM 680 C VAL A 43 3.632 15.191 1.394 1.00 0.00 C ATOM 681 O VAL A 43 4.498 15.419 0.554 1.00 0.00 O ATOM 682 CB VAL A 43 1.638 15.600 -0.251 1.00 0.00 C ATOM 683 CG1 VAL A 43 2.228 17.001 -0.437 1.00 0.00 C ATOM 684 CG2 VAL A 43 1.875 14.797 -1.529 1.00 0.00 C ATOM 0 H VAL A 43 0.809 16.047 2.087 1.00 0.00 H new ATOM 0 HA VAL A 43 2.233 13.806 0.785 1.00 0.00 H new ATOM 0 HB VAL A 43 0.567 15.698 -0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.813 17.454 -1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.980 17.618 0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.311 16.930 -0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.484 15.349 -2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.944 14.632 -1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.366 13.836 -1.455 1.00 0.00 H new ATOM 694 N GLY A 44 3.909 15.246 2.685 1.00 0.00 N ATOM 695 CA GLY A 44 5.212 15.547 3.256 1.00 0.00 C ATOM 696 C GLY A 44 5.338 14.994 4.668 1.00 0.00 C ATOM 697 O GLY A 44 5.961 15.634 5.512 1.00 0.00 O ATOM 0 H GLY A 44 3.199 15.074 3.397 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.994 15.123 2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.364 16.626 3.271 1.00 0.00 H new ATOM 701 N ARG A 45 4.710 13.849 4.960 1.00 0.00 N ATOM 702 CA ARG A 45 4.628 13.297 6.318 1.00 0.00 C ATOM 703 C ARG A 45 5.540 12.082 6.466 1.00 0.00 C ATOM 704 O ARG A 45 5.527 11.224 5.586 1.00 0.00 O ATOM 705 CB ARG A 45 3.168 12.916 6.590 1.00 0.00 C ATOM 706 CG ARG A 45 2.887 12.589 8.067 1.00 0.00 C ATOM 707 CD ARG A 45 1.952 11.386 8.133 1.00 0.00 C ATOM 708 NE ARG A 45 1.362 11.189 9.457 1.00 0.00 N ATOM 709 CZ ARG A 45 1.775 10.416 10.463 1.00 0.00 C ATOM 710 NH1 ARG A 45 2.919 9.745 10.425 1.00 0.00 N ATOM 711 NH2 ARG A 45 0.998 10.301 11.530 1.00 0.00 N ATOM 0 H ARG A 45 4.242 13.276 4.258 1.00 0.00 H new ATOM 0 HA ARG A 45 4.961 14.041 7.042 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.522 13.737 6.278 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.905 12.053 5.978 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.819 12.372 8.590 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.434 13.447 8.564 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.154 11.513 7.402 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.503 10.489 7.850 1.00 0.00 H new ATOM 0 HE ARG A 45 0.510 11.720 9.638 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.521 9.809 9.604 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.197 9.165 11.217 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.108 10.797 11.568 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.290 9.716 12.313 1.00 0.00 H new ATOM 725 N GLU A 46 6.328 11.981 7.540 1.00 0.00 N ATOM 726 CA GLU A 46 7.097 10.769 7.820 1.00 0.00 C ATOM 727 C GLU A 46 6.159 9.608 8.146 1.00 0.00 C ATOM 728 O GLU A 46 5.088 9.826 8.719 1.00 0.00 O ATOM 729 CB GLU A 46 8.030 10.994 9.019 1.00 0.00 C ATOM 730 CG GLU A 46 9.310 11.749 8.641 1.00 0.00 C ATOM 731 CD GLU A 46 10.429 11.619 9.686 1.00 0.00 C ATOM 732 OE1 GLU A 46 10.153 11.285 10.863 1.00 0.00 O ATOM 733 OE2 GLU A 46 11.598 11.878 9.311 1.00 0.00 O ATOM 0 H GLU A 46 6.449 12.724 8.228 1.00 0.00 H new ATOM 0 HA GLU A 46 7.685 10.531 6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.497 11.553 9.788 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.297 10.030 9.452 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.673 11.376 7.683 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.073 12.804 8.503 1.00 0.00 H new ATOM 740 N VAL A 47 6.591 8.381 7.839 1.00 0.00 N ATOM 741 CA VAL A 47 5.962 7.130 8.245 1.00 0.00 C ATOM 742 C VAL A 47 7.025 6.073 8.577 1.00 0.00 C ATOM 743 O VAL A 47 8.199 6.227 8.219 1.00 0.00 O ATOM 744 CB VAL A 47 5.013 6.639 7.137 1.00 0.00 C ATOM 745 CG1 VAL A 47 3.851 7.615 6.964 1.00 0.00 C ATOM 746 CG2 VAL A 47 5.692 6.450 5.770 1.00 0.00 C ATOM 0 H VAL A 47 7.427 8.231 7.275 1.00 0.00 H new ATOM 0 HA VAL A 47 5.376 7.302 9.148 1.00 0.00 H new ATOM 0 HB VAL A 47 4.665 5.661 7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.188 7.255 6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.297 7.690 7.900 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.238 8.597 6.692 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.957 6.103 5.044 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.110 7.400 5.437 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.490 5.713 5.859 1.00 0.00 H new ATOM 756 N LYS A 48 6.599 4.978 9.211 1.00 0.00 N ATOM 757 CA LYS A 48 7.375 3.791 9.568 1.00 0.00 C ATOM 758 C LYS A 48 6.842 2.557 8.850 1.00 0.00 C ATOM 759 O LYS A 48 5.745 2.593 8.300 1.00 0.00 O ATOM 760 CB LYS A 48 7.286 3.594 11.092 1.00 0.00 C ATOM 761 CG LYS A 48 8.418 4.341 11.807 1.00 0.00 C ATOM 762 CD LYS A 48 9.778 3.638 11.605 1.00 0.00 C ATOM 763 CE LYS A 48 10.197 2.876 12.864 1.00 0.00 C ATOM 764 NZ LYS A 48 11.503 2.198 12.713 1.00 0.00 N ATOM 0 H LYS A 48 5.628 4.893 9.511 1.00 0.00 H new ATOM 0 HA LYS A 48 8.412 3.930 9.264 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.323 3.953 11.454 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.339 2.531 11.329 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.476 5.362 11.430 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.196 4.406 12.872 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.713 2.948 10.764 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.539 4.377 11.353 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.247 3.569 13.704 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.434 2.136 13.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.738 1.698 13.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.451 1.515 11.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.239 2.904 12.509 1.00 0.00 H new ATOM 778 N LYS A 49 7.581 1.446 8.936 1.00 0.00 N ATOM 779 CA LYS A 49 7.277 0.168 8.279 1.00 0.00 C ATOM 780 C LYS A 49 6.010 -0.556 8.739 1.00 0.00 C ATOM 781 O LYS A 49 5.749 -1.674 8.293 1.00 0.00 O ATOM 782 CB LYS A 49 8.531 -0.727 8.285 1.00 0.00 C ATOM 783 CG LYS A 49 8.811 -1.637 9.503 1.00 0.00 C ATOM 784 CD LYS A 49 8.067 -2.987 9.462 1.00 0.00 C ATOM 785 CE LYS A 49 8.841 -4.153 10.075 1.00 0.00 C ATOM 786 NZ LYS A 49 8.978 -4.054 11.540 1.00 0.00 N ATOM 0 H LYS A 49 8.440 1.410 9.485 1.00 0.00 H new ATOM 0 HA LYS A 49 7.013 0.419 7.252 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.480 -1.367 7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.397 -0.077 8.157 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.883 -1.826 9.563 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.529 -1.106 10.412 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.118 -2.881 9.987 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.833 -3.228 8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.336 -5.086 9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.833 -4.198 9.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.512 -4.873 11.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.485 -3.179 11.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.034 -4.040 11.977 1.00 0.00 H new ATOM 800 N GLY A 50 5.195 0.055 9.591 1.00 0.00 N ATOM 801 CA GLY A 50 3.864 -0.454 9.862 1.00 0.00 C ATOM 802 C GLY A 50 2.969 0.650 10.395 1.00 0.00 C ATOM 803 O GLY A 50 2.458 0.556 11.510 1.00 0.00 O ATOM 0 H GLY A 50 5.436 0.903 10.104 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.435 -0.869 8.950 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.920 -1.266 10.587 1.00 0.00 H new ATOM 807 N GLU A 51 2.797 1.709 9.607 1.00 0.00 N ATOM 808 CA GLU A 51 2.087 2.925 9.986 1.00 0.00 C ATOM 809 C GLU A 51 0.733 2.959 9.263 1.00 0.00 C ATOM 810 O GLU A 51 0.726 3.012 8.038 1.00 0.00 O ATOM 811 CB GLU A 51 2.972 4.115 9.580 1.00 0.00 C ATOM 812 CG GLU A 51 2.772 5.356 10.438 1.00 0.00 C ATOM 813 CD GLU A 51 3.766 5.400 11.574 1.00 0.00 C ATOM 814 OE1 GLU A 51 4.863 5.919 11.302 1.00 0.00 O ATOM 815 OE2 GLU A 51 3.448 4.937 12.690 1.00 0.00 O ATOM 0 H GLU A 51 3.161 1.744 8.655 1.00 0.00 H new ATOM 0 HA GLU A 51 1.892 2.966 11.058 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.018 3.812 9.635 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.768 4.368 8.540 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.880 6.249 9.822 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.758 5.365 10.838 1.00 0.00 H new ATOM 822 N VAL A 52 -0.394 2.899 9.979 1.00 0.00 N ATOM 823 CA VAL A 52 -1.780 2.786 9.477 1.00 0.00 C ATOM 824 C VAL A 52 -2.302 4.069 8.775 1.00 0.00 C ATOM 825 O VAL A 52 -3.469 4.440 8.833 1.00 0.00 O ATOM 826 CB VAL A 52 -2.678 2.123 10.569 1.00 0.00 C ATOM 827 CG1 VAL A 52 -2.168 2.283 12.003 1.00 0.00 C ATOM 828 CG2 VAL A 52 -4.169 2.506 10.622 1.00 0.00 C ATOM 0 H VAL A 52 -0.367 2.930 10.998 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.818 2.098 8.632 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.599 1.097 10.210 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.856 1.791 12.691 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.181 1.830 12.091 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.104 3.343 12.250 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.656 1.963 11.432 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.263 3.578 10.796 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.645 2.249 9.676 1.00 0.00 H new ATOM 838 N VAL A 53 -1.447 4.817 8.100 1.00 0.00 N ATOM 839 CA VAL A 53 -1.735 6.170 7.620 1.00 0.00 C ATOM 840 C VAL A 53 -2.703 6.270 6.428 1.00 0.00 C ATOM 841 O VAL A 53 -2.767 7.331 5.806 1.00 0.00 O ATOM 842 CB VAL A 53 -0.396 6.831 7.273 1.00 0.00 C ATOM 843 CG1 VAL A 53 0.398 7.085 8.553 1.00 0.00 C ATOM 844 CG2 VAL A 53 0.409 5.976 6.276 1.00 0.00 C ATOM 0 H VAL A 53 -0.508 4.498 7.861 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.262 6.682 8.425 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.593 7.787 6.787 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.349 7.555 8.304 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.171 7.743 9.209 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.583 6.138 9.060 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.353 6.472 6.050 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.609 4.998 6.714 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.164 5.852 5.357 1.00 0.00 H new ATOM 854 N ALA A 54 -3.368 5.186 6.039 1.00 0.00 N ATOM 855 CA ALA A 54 -4.201 5.155 4.850 1.00 0.00 C ATOM 856 C ALA A 54 -5.340 4.163 5.051 1.00 0.00 C ATOM 857 O ALA A 54 -5.487 3.227 4.269 1.00 0.00 O ATOM 858 CB ALA A 54 -3.304 4.810 3.657 1.00 0.00 C ATOM 0 H ALA A 54 -3.341 4.301 6.546 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.666 6.121 4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.904 4.780 2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.528 5.568 3.554 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.841 3.836 3.819 1.00 0.00 H new ATOM 864 N SER A 55 -6.075 4.292 6.154 1.00 0.00 N ATOM 865 CA SER A 55 -7.142 3.358 6.494 1.00 0.00 C ATOM 866 C SER A 55 -8.191 3.291 5.378 1.00 0.00 C ATOM 867 O SER A 55 -8.364 4.222 4.595 1.00 0.00 O ATOM 868 CB SER A 55 -7.776 3.778 7.819 1.00 0.00 C ATOM 869 OG SER A 55 -7.899 2.695 8.717 1.00 0.00 O ATOM 0 H SER A 55 -5.947 5.043 6.832 1.00 0.00 H new ATOM 0 HA SER A 55 -6.721 2.359 6.602 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.172 4.561 8.277 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.761 4.205 7.630 1.00 0.00 H new ATOM 0 HG SER A 55 -8.307 3.007 9.552 1.00 0.00 H new ATOM 875 N ILE A 56 -8.935 2.194 5.321 1.00 0.00 N ATOM 876 CA ILE A 56 -9.919 1.935 4.276 1.00 0.00 C ATOM 877 C ILE A 56 -11.178 1.451 4.979 1.00 0.00 C ATOM 878 O ILE A 56 -11.184 0.331 5.491 1.00 0.00 O ATOM 879 CB ILE A 56 -9.398 0.908 3.240 1.00 0.00 C ATOM 880 CG1 ILE A 56 -7.956 1.173 2.774 1.00 0.00 C ATOM 881 CG2 ILE A 56 -10.394 0.850 2.065 1.00 0.00 C ATOM 882 CD1 ILE A 56 -7.459 0.154 1.748 1.00 0.00 C ATOM 0 H ILE A 56 -8.871 1.446 6.011 1.00 0.00 H new ATOM 0 HA ILE A 56 -10.125 2.839 3.703 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.343 -0.067 3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.898 2.172 2.342 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.293 1.161 3.639 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -10.042 0.131 1.325 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.373 0.543 2.433 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -10.472 1.835 1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.436 0.397 1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.486 -0.844 2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.100 0.182 0.867 1.00 0.00 H new ATOM 894 N GLU A 57 -12.226 2.274 5.026 1.00 0.00 N ATOM 895 CA GLU A 57 -13.524 1.879 5.562 1.00 0.00 C ATOM 896 C GLU A 57 -14.443 1.580 4.386 1.00 0.00 C ATOM 897 O GLU A 57 -14.681 2.464 3.568 1.00 0.00 O ATOM 898 CB GLU A 57 -14.101 2.947 6.506 1.00 0.00 C ATOM 899 CG GLU A 57 -13.487 2.770 7.902 1.00 0.00 C ATOM 900 CD GLU A 57 -14.126 3.662 8.975 1.00 0.00 C ATOM 901 OE1 GLU A 57 -15.337 3.513 9.255 1.00 0.00 O ATOM 902 OE2 GLU A 57 -13.407 4.419 9.675 1.00 0.00 O ATOM 0 H GLU A 57 -12.196 3.237 4.691 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.420 0.984 6.175 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.883 3.944 6.123 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.186 2.856 6.558 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.586 1.727 8.203 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.420 2.987 7.850 1.00 0.00 H new ATOM 909 N SER A 58 -14.903 0.330 4.272 1.00 0.00 N ATOM 910 CA SER A 58 -15.785 -0.151 3.215 1.00 0.00 C ATOM 911 C SER A 58 -17.236 -0.214 3.677 1.00 0.00 C ATOM 912 O SER A 58 -17.610 0.471 4.635 1.00 0.00 O ATOM 913 CB SER A 58 -15.239 -1.454 2.623 1.00 0.00 C ATOM 914 OG SER A 58 -15.385 -2.577 3.457 1.00 0.00 O ATOM 0 H SER A 58 -14.659 -0.399 4.942 1.00 0.00 H new ATOM 0 HA SER A 58 -15.797 0.567 2.395 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.746 -1.650 1.678 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.181 -1.320 2.396 1.00 0.00 H new ATOM 0 HG SER A 58 -15.379 -3.392 2.913 1.00 0.00 H new ATOM 920 N VAL A 59 -18.075 -0.999 2.989 1.00 0.00 N ATOM 921 CA VAL A 59 -19.431 -1.280 3.429 1.00 0.00 C ATOM 922 C VAL A 59 -19.472 -1.577 4.929 1.00 0.00 C ATOM 923 O VAL A 59 -20.309 -0.976 5.602 1.00 0.00 O ATOM 924 CB VAL A 59 -20.107 -2.371 2.572 1.00 0.00 C ATOM 925 CG1 VAL A 59 -20.645 -1.764 1.274 1.00 0.00 C ATOM 926 CG2 VAL A 59 -19.216 -3.582 2.263 1.00 0.00 C ATOM 0 H VAL A 59 -17.824 -1.454 2.111 1.00 0.00 H new ATOM 0 HA VAL A 59 -20.026 -0.380 3.273 1.00 0.00 H new ATOM 0 HB VAL A 59 -20.926 -2.757 3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -21.120 -2.543 0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -21.376 -0.991 1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -19.822 -1.325 0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -19.772 -4.297 1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.332 -3.253 1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -18.911 -4.056 3.196 1.00 0.00 H new ATOM 936 N LYS A 60 -18.549 -2.385 5.484 1.00 0.00 N ATOM 937 CA LYS A 60 -18.388 -2.423 6.941 1.00 0.00 C ATOM 938 C LYS A 60 -17.038 -2.941 7.452 1.00 0.00 C ATOM 939 O LYS A 60 -16.954 -3.276 8.637 1.00 0.00 O ATOM 940 CB LYS A 60 -19.549 -3.216 7.581 1.00 0.00 C ATOM 941 CG LYS A 60 -19.980 -2.565 8.904 1.00 0.00 C ATOM 942 CD LYS A 60 -20.589 -3.595 9.852 1.00 0.00 C ATOM 943 CE LYS A 60 -19.498 -4.307 10.658 1.00 0.00 C ATOM 944 NZ LYS A 60 -20.053 -5.412 11.462 1.00 0.00 N ATOM 0 H LYS A 60 -17.924 -3.000 4.962 1.00 0.00 H new ATOM 0 HA LYS A 60 -18.412 -1.379 7.252 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -20.395 -3.252 6.894 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -19.239 -4.246 7.759 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -19.119 -2.094 9.378 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -20.705 -1.776 8.705 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -21.286 -3.103 10.531 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -21.162 -4.326 9.282 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -18.738 -4.695 9.980 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -19.003 -3.591 11.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -19.288 -5.872 11.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -20.760 -5.037 12.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -20.503 -6.107 10.833 1.00 0.00 H new ATOM 958 N ALA A 61 -15.998 -3.078 6.625 1.00 0.00 N ATOM 959 CA ALA A 61 -14.670 -3.430 7.132 1.00 0.00 C ATOM 960 C ALA A 61 -13.868 -2.145 7.294 1.00 0.00 C ATOM 961 O ALA A 61 -14.173 -1.163 6.622 1.00 0.00 O ATOM 962 CB ALA A 61 -13.958 -4.389 6.174 1.00 0.00 C ATOM 0 H ALA A 61 -16.048 -2.952 5.614 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.764 -3.938 8.092 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.974 -4.636 6.572 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.546 -5.301 6.068 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -13.847 -3.914 5.199 1.00 0.00 H new ATOM 968 N ALA A 62 -12.822 -2.181 8.120 1.00 0.00 N ATOM 969 CA ALA A 62 -11.874 -1.100 8.324 1.00 0.00 C ATOM 970 C ALA A 62 -10.467 -1.699 8.241 1.00 0.00 C ATOM 971 O ALA A 62 -10.002 -2.305 9.212 1.00 0.00 O ATOM 972 CB ALA A 62 -12.148 -0.416 9.665 1.00 0.00 C ATOM 0 H ALA A 62 -12.609 -3.002 8.686 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.971 -0.329 7.560 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.434 0.394 9.813 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.160 -0.012 9.667 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.045 -1.142 10.471 1.00 0.00 H new ATOM 978 N ALA A 63 -9.831 -1.613 7.070 1.00 0.00 N ATOM 979 CA ALA A 63 -8.464 -2.067 6.850 1.00 0.00 C ATOM 980 C ALA A 63 -7.487 -0.940 7.113 1.00 0.00 C ATOM 981 O ALA A 63 -7.340 -0.035 6.298 1.00 0.00 O ATOM 982 CB ALA A 63 -8.252 -2.647 5.452 1.00 0.00 C ATOM 0 H ALA A 63 -10.264 -1.218 6.235 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.279 -2.876 7.556 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.216 -2.969 5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.914 -3.501 5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.475 -1.885 4.705 1.00 0.00 H new ATOM 988 N ASP A 64 -6.784 -1.063 8.228 1.00 0.00 N ATOM 989 CA ASP A 64 -5.578 -0.334 8.565 1.00 0.00 C ATOM 990 C ASP A 64 -4.539 -0.643 7.482 1.00 0.00 C ATOM 991 O ASP A 64 -4.177 -1.815 7.317 1.00 0.00 O ATOM 992 CB ASP A 64 -5.050 -0.812 9.943 1.00 0.00 C ATOM 993 CG ASP A 64 -6.062 -1.328 10.971 1.00 0.00 C ATOM 994 OD1 ASP A 64 -6.673 -2.393 10.715 1.00 0.00 O ATOM 995 OD2 ASP A 64 -6.146 -0.735 12.071 1.00 0.00 O ATOM 0 H ASP A 64 -7.059 -1.714 8.963 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.775 0.737 8.619 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.325 -1.606 9.764 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.509 0.018 10.397 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.072 0.344 6.712 1.00 0.00 N ATOM 1001 CA VAL A 65 -3.065 0.085 5.686 1.00 0.00 C ATOM 1002 C VAL A 65 -1.702 0.423 6.278 1.00 0.00 C ATOM 1003 O VAL A 65 -1.398 1.606 6.448 1.00 0.00 O ATOM 1004 CB VAL A 65 -3.329 0.871 4.409 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -2.198 0.575 3.412 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -4.650 0.437 3.782 1.00 0.00 C ATOM 0 H VAL A 65 -4.372 1.317 6.780 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.101 -0.965 5.397 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.375 1.934 4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.371 1.130 2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.244 0.877 3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.176 -0.493 3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.825 1.008 2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.607 -0.626 3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.463 0.618 4.485 1.00 0.00 H new ATOM 1016 N TYR A 66 -0.912 -0.582 6.658 1.00 0.00 N ATOM 1017 CA TYR A 66 0.283 -0.350 7.451 1.00 0.00 C ATOM 1018 C TYR A 66 1.536 -0.219 6.593 1.00 0.00 C ATOM 1019 O TYR A 66 2.208 -1.212 6.298 1.00 0.00 O ATOM 1020 CB TYR A 66 0.511 -1.480 8.443 1.00 0.00 C ATOM 1021 CG TYR A 66 -0.595 -1.787 9.412 1.00 0.00 C ATOM 1022 CD1 TYR A 66 -0.630 -1.180 10.677 1.00 0.00 C ATOM 1023 CD2 TYR A 66 -1.509 -2.792 9.076 1.00 0.00 C ATOM 1024 CE1 TYR A 66 -1.564 -1.628 11.631 1.00 0.00 C ATOM 1025 CE2 TYR A 66 -2.418 -3.266 10.024 1.00 0.00 C ATOM 1026 CZ TYR A 66 -2.458 -2.681 11.307 1.00 0.00 C ATOM 1027 OH TYR A 66 -3.380 -3.112 12.208 1.00 0.00 O ATOM 0 H TYR A 66 -1.083 -1.561 6.427 1.00 0.00 H new ATOM 0 HA TYR A 66 0.111 0.590 7.976 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.723 -2.387 7.877 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.407 -1.247 9.018 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.052 -0.378 10.916 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.511 -3.203 8.077 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.600 -1.170 12.609 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.087 -4.077 9.776 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.907 -3.838 11.815 1.00 0.00 H new ATOM 1037 N ALA A 67 1.903 1.039 6.358 1.00 0.00 N ATOM 1038 CA ALA A 67 2.971 1.489 5.474 1.00 0.00 C ATOM 1039 C ALA A 67 4.151 0.516 5.380 1.00 0.00 C ATOM 1040 O ALA A 67 4.697 0.160 6.416 1.00 0.00 O ATOM 1041 CB ALA A 67 3.501 2.838 5.967 1.00 0.00 C ATOM 0 H ALA A 67 1.430 1.821 6.811 1.00 0.00 H new ATOM 0 HA ALA A 67 2.531 1.561 4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.300 3.178 5.308 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.693 3.569 5.964 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.888 2.729 6.980 1.00 0.00 H new ATOM 1047 N PRO A 68 4.636 0.152 4.182 1.00 0.00 N ATOM 1048 CA PRO A 68 5.566 -0.958 3.998 1.00 0.00 C ATOM 1049 C PRO A 68 6.946 -0.735 4.605 1.00 0.00 C ATOM 1050 O PRO A 68 7.639 -1.703 4.904 1.00 0.00 O ATOM 1051 CB PRO A 68 5.710 -1.112 2.478 1.00 0.00 C ATOM 1052 CG PRO A 68 5.316 0.250 1.922 1.00 0.00 C ATOM 1053 CD PRO A 68 4.227 0.673 2.896 1.00 0.00 C ATOM 0 HA PRO A 68 5.171 -1.837 4.506 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.731 -1.375 2.200 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.062 -1.900 2.095 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.153 0.948 1.915 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.947 0.184 0.898 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.127 1.758 2.926 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.258 0.271 2.600 1.00 0.00 H new ATOM 1061 N LEU A 69 7.389 0.519 4.675 1.00 0.00 N ATOM 1062 CA LEU A 69 8.763 0.904 4.971 1.00 0.00 C ATOM 1063 C LEU A 69 8.732 2.229 5.710 1.00 0.00 C ATOM 1064 O LEU A 69 7.780 3.005 5.549 1.00 0.00 O ATOM 1065 CB LEU A 69 9.534 1.131 3.662 1.00 0.00 C ATOM 1066 CG LEU A 69 9.790 -0.129 2.820 1.00 0.00 C ATOM 1067 CD1 LEU A 69 9.834 0.289 1.353 1.00 0.00 C ATOM 1068 CD2 LEU A 69 11.082 -0.842 3.234 1.00 0.00 C ATOM 0 H LEU A 69 6.778 1.321 4.521 1.00 0.00 H new ATOM 0 HA LEU A 69 9.241 0.121 5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.981 1.847 3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.494 1.589 3.900 1.00 0.00 H new ATOM 0 HG LEU A 69 8.985 -0.846 2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.015 -0.587 0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.882 0.742 1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.637 1.012 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.224 -1.727 2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.928 -0.167 3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.014 -1.140 4.280 1.00 0.00 H new ATOM 1080 N SER A 70 9.805 2.528 6.439 1.00 0.00 N ATOM 1081 CA SER A 70 10.056 3.893 6.868 1.00 0.00 C ATOM 1082 C SER A 70 10.353 4.763 5.648 1.00 0.00 C ATOM 1083 O SER A 70 10.968 4.313 4.676 1.00 0.00 O ATOM 1084 CB SER A 70 11.210 3.977 7.868 1.00 0.00 C ATOM 1085 OG SER A 70 11.272 2.843 8.712 1.00 0.00 O ATOM 0 H SER A 70 10.504 1.849 6.740 1.00 0.00 H new ATOM 0 HA SER A 70 9.162 4.256 7.375 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.151 4.076 7.326 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.096 4.874 8.476 1.00 0.00 H new ATOM 0 HG SER A 70 12.024 2.938 9.333 1.00 0.00 H new ATOM 1091 N GLY A 71 9.924 6.018 5.696 1.00 0.00 N ATOM 1092 CA GLY A 71 10.034 6.928 4.573 1.00 0.00 C ATOM 1093 C GLY A 71 9.153 8.144 4.790 1.00 0.00 C ATOM 1094 O GLY A 71 8.647 8.348 5.901 1.00 0.00 O ATOM 0 H GLY A 71 9.489 6.431 6.521 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.071 7.240 4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.743 6.419 3.654 1.00 0.00 H new ATOM 1098 N LYS A 72 8.948 8.940 3.740 1.00 0.00 N ATOM 1099 CA LYS A 72 8.127 10.148 3.798 1.00 0.00 C ATOM 1100 C LYS A 72 7.130 10.123 2.666 1.00 0.00 C ATOM 1101 O LYS A 72 7.529 9.862 1.540 1.00 0.00 O ATOM 1102 CB LYS A 72 9.006 11.406 3.699 1.00 0.00 C ATOM 1103 CG LYS A 72 8.439 12.473 4.636 1.00 0.00 C ATOM 1104 CD LYS A 72 9.138 13.829 4.573 1.00 0.00 C ATOM 1105 CE LYS A 72 8.731 14.585 5.844 1.00 0.00 C ATOM 1106 NZ LYS A 72 8.882 16.043 5.714 1.00 0.00 N ATOM 0 H LYS A 72 9.350 8.763 2.820 1.00 0.00 H new ATOM 0 HA LYS A 72 7.600 10.176 4.752 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.035 11.171 3.972 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.025 11.775 2.673 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.384 12.615 4.403 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.493 12.101 5.659 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.220 13.706 4.524 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.839 14.379 3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.693 14.352 6.083 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.337 14.235 6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.338 16.422 6.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.469 16.258 4.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.945 16.480 5.599 1.00 0.00 H new ATOM 1120 N ILE A 73 5.854 10.366 2.930 1.00 0.00 N ATOM 1121 CA ILE A 73 4.855 10.488 1.874 1.00 0.00 C ATOM 1122 C ILE A 73 5.223 11.703 1.024 1.00 0.00 C ATOM 1123 O ILE A 73 5.638 12.721 1.581 1.00 0.00 O ATOM 1124 CB ILE A 73 3.443 10.645 2.462 1.00 0.00 C ATOM 1125 CG1 ILE A 73 3.086 9.597 3.532 1.00 0.00 C ATOM 1126 CG2 ILE A 73 2.371 10.627 1.354 1.00 0.00 C ATOM 1127 CD1 ILE A 73 3.403 8.143 3.171 1.00 0.00 C ATOM 0 H ILE A 73 5.483 10.483 3.873 1.00 0.00 H new ATOM 0 HA ILE A 73 4.847 9.585 1.264 1.00 0.00 H new ATOM 0 HB ILE A 73 3.454 11.615 2.958 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.617 9.848 4.451 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.020 9.674 3.748 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.383 10.740 1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.551 11.448 0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.420 9.680 0.816 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.111 7.492 3.995 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.851 7.862 2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.472 8.039 2.987 1.00 0.00 H new ATOM 1139 N VAL A 74 5.059 11.592 -0.296 1.00 0.00 N ATOM 1140 CA VAL A 74 5.348 12.659 -1.254 1.00 0.00 C ATOM 1141 C VAL A 74 4.385 12.663 -2.455 1.00 0.00 C ATOM 1142 O VAL A 74 4.483 13.564 -3.295 1.00 0.00 O ATOM 1143 CB VAL A 74 6.813 12.550 -1.748 1.00 0.00 C ATOM 1144 CG1 VAL A 74 7.844 12.817 -0.642 1.00 0.00 C ATOM 1145 CG2 VAL A 74 7.094 11.184 -2.404 1.00 0.00 C ATOM 0 H VAL A 74 4.714 10.739 -0.737 1.00 0.00 H new ATOM 0 HA VAL A 74 5.203 13.603 -0.728 1.00 0.00 H new ATOM 0 HB VAL A 74 6.925 13.334 -2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.850 12.725 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.703 13.824 -0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.712 12.092 0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.131 11.147 -2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.917 10.389 -1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.433 11.049 -3.260 1.00 0.00 H new ATOM 1155 N GLU A 75 3.452 11.710 -2.567 1.00 0.00 N ATOM 1156 CA GLU A 75 2.335 11.782 -3.509 1.00 0.00 C ATOM 1157 C GLU A 75 1.138 11.065 -2.874 1.00 0.00 C ATOM 1158 O GLU A 75 1.329 10.219 -1.996 1.00 0.00 O ATOM 1159 CB GLU A 75 2.731 11.114 -4.834 1.00 0.00 C ATOM 1160 CG GLU A 75 2.115 11.754 -6.076 1.00 0.00 C ATOM 1161 CD GLU A 75 2.545 10.965 -7.313 1.00 0.00 C ATOM 1162 OE1 GLU A 75 1.867 9.972 -7.650 1.00 0.00 O ATOM 1163 OE2 GLU A 75 3.597 11.296 -7.911 1.00 0.00 O ATOM 0 H GLU A 75 3.453 10.862 -2.001 1.00 0.00 H new ATOM 0 HA GLU A 75 2.073 12.818 -3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.817 11.139 -4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.438 10.065 -4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.028 11.762 -5.995 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.436 12.792 -6.162 1.00 0.00 H new ATOM 1170 N VAL A 76 -0.080 11.358 -3.323 1.00 0.00 N ATOM 1171 CA VAL A 76 -1.329 10.778 -2.824 1.00 0.00 C ATOM 1172 C VAL A 76 -2.264 10.575 -4.017 1.00 0.00 C ATOM 1173 O VAL A 76 -2.106 11.255 -5.036 1.00 0.00 O ATOM 1174 CB VAL A 76 -1.977 11.696 -1.764 1.00 0.00 C ATOM 1175 CG1 VAL A 76 -1.070 11.913 -0.545 1.00 0.00 C ATOM 1176 CG2 VAL A 76 -2.371 13.052 -2.364 1.00 0.00 C ATOM 0 H VAL A 76 -0.232 12.032 -4.073 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.130 9.822 -2.340 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.877 11.182 -1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.571 12.565 0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.858 10.953 -0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.136 12.375 -0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.824 13.674 -1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.483 13.549 -2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.086 12.898 -3.172 1.00 0.00 H new ATOM 1186 N ASN A 77 -3.248 9.685 -3.893 1.00 0.00 N ATOM 1187 CA ASN A 77 -4.143 9.336 -4.986 1.00 0.00 C ATOM 1188 C ASN A 77 -5.532 9.904 -4.728 1.00 0.00 C ATOM 1189 O ASN A 77 -6.455 9.162 -4.392 1.00 0.00 O ATOM 1190 CB ASN A 77 -4.180 7.814 -5.164 1.00 0.00 C ATOM 1191 CG ASN A 77 -4.741 7.411 -6.520 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -4.830 8.211 -7.451 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -5.102 6.153 -6.649 1.00 0.00 N ATOM 0 H ASN A 77 -3.444 9.186 -3.026 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.773 9.774 -5.913 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.173 7.412 -5.055 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.787 7.372 -4.375 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.468 5.816 -7.540 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.016 5.514 -5.859 1.00 0.00 H new ATOM 1200 N GLU A 78 -5.703 11.222 -4.887 1.00 0.00 N ATOM 1201 CA GLU A 78 -6.969 11.902 -4.593 1.00 0.00 C ATOM 1202 C GLU A 78 -8.147 11.392 -5.443 1.00 0.00 C ATOM 1203 O GLU A 78 -9.306 11.623 -5.107 1.00 0.00 O ATOM 1204 CB GLU A 78 -6.820 13.431 -4.709 1.00 0.00 C ATOM 1205 CG GLU A 78 -6.373 14.059 -3.379 1.00 0.00 C ATOM 1206 CD GLU A 78 -6.636 15.564 -3.319 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -7.786 16.000 -3.556 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -5.715 16.343 -2.977 1.00 0.00 O ATOM 0 H GLU A 78 -4.969 11.846 -5.222 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.212 11.655 -3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.094 13.668 -5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.770 13.867 -5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.896 13.570 -2.557 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.309 13.874 -3.234 1.00 0.00 H new ATOM 1215 N LYS A 79 -7.870 10.596 -6.478 1.00 0.00 N ATOM 1216 CA LYS A 79 -8.842 9.772 -7.194 1.00 0.00 C ATOM 1217 C LYS A 79 -9.765 9.036 -6.228 1.00 0.00 C ATOM 1218 O LYS A 79 -10.971 8.969 -6.480 1.00 0.00 O ATOM 1219 CB LYS A 79 -8.077 8.756 -8.067 1.00 0.00 C ATOM 1220 CG LYS A 79 -7.673 9.321 -9.426 1.00 0.00 C ATOM 1221 CD LYS A 79 -8.936 9.458 -10.283 1.00 0.00 C ATOM 1222 CE LYS A 79 -8.716 8.867 -11.663 1.00 0.00 C ATOM 1223 NZ LYS A 79 -9.975 8.841 -12.433 1.00 0.00 N ATOM 0 H LYS A 79 -6.926 10.505 -6.853 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.463 10.417 -7.816 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.183 8.429 -7.535 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.699 7.874 -8.217 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.188 10.290 -9.306 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.953 8.663 -9.912 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.769 8.953 -9.794 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.209 10.510 -10.372 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.970 9.453 -12.199 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.321 7.855 -11.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.799 8.433 -13.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.678 8.262 -11.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.337 9.810 -12.539 1.00 0.00 H new ATOM 1237 N LEU A 80 -9.213 8.488 -5.142 1.00 0.00 N ATOM 1238 CA LEU A 80 -9.914 7.583 -4.237 1.00 0.00 C ATOM 1239 C LEU A 80 -10.952 8.345 -3.394 1.00 0.00 C ATOM 1240 O LEU A 80 -11.840 7.714 -2.830 1.00 0.00 O ATOM 1241 CB LEU A 80 -8.913 6.773 -3.383 1.00 0.00 C ATOM 1242 CG LEU A 80 -7.922 5.820 -4.113 1.00 0.00 C ATOM 1243 CD1 LEU A 80 -8.165 4.387 -3.660 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -8.018 5.758 -5.648 1.00 0.00 C ATOM 0 H LEU A 80 -8.248 8.667 -4.865 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.472 6.856 -4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.324 7.481 -2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.487 6.176 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.950 6.238 -3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.471 3.721 -4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.010 4.315 -2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.188 4.098 -3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.275 5.059 -6.031 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.014 5.423 -5.937 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.833 6.748 -6.064 1.00 0.00 H new ATOM 1256 N ASP A 81 -10.928 9.687 -3.384 1.00 0.00 N ATOM 1257 CA ASP A 81 -12.006 10.542 -2.854 1.00 0.00 C ATOM 1258 C ASP A 81 -13.280 10.457 -3.700 1.00 0.00 C ATOM 1259 O ASP A 81 -14.322 10.968 -3.298 1.00 0.00 O ATOM 1260 CB ASP A 81 -11.549 12.012 -2.827 1.00 0.00 C ATOM 1261 CG ASP A 81 -12.560 12.984 -2.200 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -12.902 12.837 -1.005 1.00 0.00 O ATOM 1263 OD2 ASP A 81 -12.926 13.978 -2.876 1.00 0.00 O ATOM 0 H ASP A 81 -10.141 10.222 -3.752 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.227 10.183 -1.849 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.611 12.077 -2.275 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.341 12.333 -3.848 1.00 0.00 H new ATOM 1268 N THR A 82 -13.216 9.847 -4.888 1.00 0.00 N ATOM 1269 CA THR A 82 -14.318 9.819 -5.847 1.00 0.00 C ATOM 1270 C THR A 82 -14.572 8.396 -6.360 1.00 0.00 C ATOM 1271 O THR A 82 -15.725 7.991 -6.516 1.00 0.00 O ATOM 1272 CB THR A 82 -14.057 10.844 -6.970 1.00 0.00 C ATOM 1273 OG1 THR A 82 -12.998 10.465 -7.839 1.00 0.00 O ATOM 1274 CG2 THR A 82 -13.719 12.246 -6.444 1.00 0.00 C ATOM 0 H THR A 82 -12.385 9.353 -5.212 1.00 0.00 H new ATOM 0 HA THR A 82 -15.242 10.117 -5.352 1.00 0.00 H new ATOM 0 HB THR A 82 -15.001 10.865 -7.515 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.320 9.972 -7.332 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.547 12.918 -7.285 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.549 12.620 -5.845 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.821 12.197 -5.829 1.00 0.00 H new ATOM 1282 N GLU A 83 -13.510 7.609 -6.539 1.00 0.00 N ATOM 1283 CA GLU A 83 -13.519 6.195 -6.895 1.00 0.00 C ATOM 1284 C GLU A 83 -12.786 5.442 -5.781 1.00 0.00 C ATOM 1285 O GLU A 83 -11.634 5.046 -5.947 1.00 0.00 O ATOM 1286 CB GLU A 83 -12.768 6.021 -8.213 1.00 0.00 C ATOM 1287 CG GLU A 83 -13.554 6.432 -9.461 1.00 0.00 C ATOM 1288 CD GLU A 83 -13.797 5.247 -10.399 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -14.721 4.449 -10.143 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -12.999 5.103 -11.359 1.00 0.00 O ATOM 0 H GLU A 83 -12.561 7.968 -6.432 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.535 5.816 -7.008 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.849 6.606 -8.171 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.476 4.976 -8.313 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.511 6.861 -9.163 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.008 7.211 -9.994 1.00 0.00 H new ATOM 1297 N PRO A 84 -13.399 5.273 -4.608 1.00 0.00 N ATOM 1298 CA PRO A 84 -12.801 4.512 -3.534 1.00 0.00 C ATOM 1299 C PRO A 84 -12.826 3.042 -3.939 1.00 0.00 C ATOM 1300 O PRO A 84 -11.826 2.351 -3.774 1.00 0.00 O ATOM 1301 CB PRO A 84 -13.620 4.848 -2.283 1.00 0.00 C ATOM 1302 CG PRO A 84 -14.972 5.317 -2.827 1.00 0.00 C ATOM 1303 CD PRO A 84 -14.665 5.841 -4.230 1.00 0.00 C ATOM 0 HA PRO A 84 -11.757 4.748 -3.326 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.732 3.978 -1.636 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -13.139 5.626 -1.690 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.692 4.499 -2.858 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.403 6.096 -2.199 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.446 5.551 -4.933 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.619 6.930 -4.236 1.00 0.00 H new ATOM 1311 N GLU A 85 -13.947 2.552 -4.495 1.00 0.00 N ATOM 1312 CA GLU A 85 -14.168 1.154 -4.886 1.00 0.00 C ATOM 1313 C GLU A 85 -13.099 0.647 -5.859 1.00 0.00 C ATOM 1314 O GLU A 85 -13.036 -0.563 -6.032 1.00 0.00 O ATOM 1315 CB GLU A 85 -15.528 1.011 -5.613 1.00 0.00 C ATOM 1316 CG GLU A 85 -16.757 1.332 -4.757 1.00 0.00 C ATOM 1317 CD GLU A 85 -18.120 1.217 -5.452 1.00 0.00 C ATOM 1318 OE1 GLU A 85 -18.186 0.871 -6.650 1.00 0.00 O ATOM 1319 OE2 GLU A 85 -19.162 1.507 -4.809 1.00 0.00 O ATOM 0 H GLU A 85 -14.754 3.144 -4.691 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.135 0.573 -3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.528 1.668 -6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.619 -0.010 -5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.756 0.666 -3.894 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.652 2.348 -4.376 1.00 0.00 H new ATOM 1326 N LEU A 86 -12.233 1.484 -6.447 1.00 0.00 N ATOM 1327 CA LEU A 86 -11.184 1.128 -7.380 1.00 0.00 C ATOM 1328 C LEU A 86 -10.211 0.105 -6.786 1.00 0.00 C ATOM 1329 O LEU A 86 -9.513 -0.577 -7.531 1.00 0.00 O ATOM 1330 CB LEU A 86 -10.407 2.406 -7.764 1.00 0.00 C ATOM 1331 CG LEU A 86 -10.266 2.618 -9.275 1.00 0.00 C ATOM 1332 CD1 LEU A 86 -9.387 3.838 -9.552 1.00 0.00 C ATOM 1333 CD2 LEU A 86 -9.619 1.392 -9.913 1.00 0.00 C ATOM 0 H LEU A 86 -12.258 2.487 -6.265 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.647 0.674 -8.256 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.912 3.270 -7.332 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.413 2.362 -7.319 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.258 2.775 -9.698 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.292 3.981 -10.628 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.842 4.723 -9.107 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.399 3.681 -9.118 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -9.522 1.549 -10.987 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.632 1.234 -9.479 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.241 0.516 -9.730 1.00 0.00 H new ATOM 1345 N ILE A 87 -10.186 -0.053 -5.459 1.00 0.00 N ATOM 1346 CA ILE A 87 -9.481 -1.156 -4.818 1.00 0.00 C ATOM 1347 C ILE A 87 -9.953 -2.485 -5.442 1.00 0.00 C ATOM 1348 O ILE A 87 -9.173 -3.408 -5.647 1.00 0.00 O ATOM 1349 CB ILE A 87 -9.697 -1.164 -3.306 1.00 0.00 C ATOM 1350 CG1 ILE A 87 -9.606 0.203 -2.611 1.00 0.00 C ATOM 1351 CG2 ILE A 87 -8.678 -2.089 -2.629 1.00 0.00 C ATOM 1352 CD1 ILE A 87 -8.536 1.205 -3.057 1.00 0.00 C ATOM 0 H ILE A 87 -10.652 0.578 -4.807 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.411 -1.029 -4.985 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.724 -1.511 -3.192 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -10.575 0.690 -2.719 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.459 0.019 -1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.843 -2.086 -1.552 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.797 -3.103 -3.011 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.669 -1.737 -2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.617 2.114 -2.460 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.547 0.767 -2.919 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.681 1.448 -4.110 1.00 0.00 H new ATOM 1364 N ASN A 88 -11.247 -2.596 -5.758 1.00 0.00 N ATOM 1365 CA ASN A 88 -11.814 -3.745 -6.458 1.00 0.00 C ATOM 1366 C ASN A 88 -11.317 -3.818 -7.898 1.00 0.00 C ATOM 1367 O ASN A 88 -10.981 -4.891 -8.394 1.00 0.00 O ATOM 1368 CB ASN A 88 -13.338 -3.639 -6.523 1.00 0.00 C ATOM 1369 CG ASN A 88 -13.974 -3.832 -5.151 1.00 0.00 C ATOM 1370 OD1 ASN A 88 -14.477 -4.899 -4.815 1.00 0.00 O ATOM 1371 ND2 ASN A 88 -13.918 -2.817 -4.313 1.00 0.00 N ATOM 0 H ASN A 88 -11.936 -1.879 -5.530 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.505 -4.630 -5.902 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.619 -2.664 -6.921 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.726 -4.388 -7.213 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -14.296 -2.912 -3.370 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -13.497 -1.936 -4.607 1.00 0.00 H new ATOM 1378 N LYS A 89 -11.397 -2.677 -8.586 1.00 0.00 N ATOM 1379 CA LYS A 89 -11.334 -2.551 -10.037 1.00 0.00 C ATOM 1380 C LYS A 89 -9.916 -2.656 -10.586 1.00 0.00 C ATOM 1381 O LYS A 89 -9.762 -2.980 -11.762 1.00 0.00 O ATOM 1382 CB LYS A 89 -11.929 -1.185 -10.435 1.00 0.00 C ATOM 1383 CG LYS A 89 -13.273 -1.248 -11.124 1.00 0.00 C ATOM 1384 CD LYS A 89 -13.615 0.052 -11.869 1.00 0.00 C ATOM 1385 CE LYS A 89 -12.832 0.197 -13.175 1.00 0.00 C ATOM 1386 NZ LYS A 89 -13.019 1.527 -13.784 1.00 0.00 N ATOM 0 H LYS A 89 -11.513 -1.776 -8.122 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.902 -3.378 -10.464 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.026 -0.573 -9.538 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.224 -0.677 -11.093 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.277 -2.079 -11.829 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.047 -1.454 -10.385 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -14.683 0.074 -12.084 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.402 0.904 -11.224 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.772 0.032 -12.983 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.152 -0.572 -13.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.472 1.585 -14.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.027 1.675 -13.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.690 2.260 -13.124 1.00 0.00 H new ATOM 1400 N ASP A 90 -8.909 -2.276 -9.800 1.00 0.00 N ATOM 1401 CA ASP A 90 -7.506 -2.260 -10.208 1.00 0.00 C ATOM 1402 C ASP A 90 -6.655 -2.063 -8.936 1.00 0.00 C ATOM 1403 O ASP A 90 -6.005 -1.023 -8.783 1.00 0.00 O ATOM 1404 CB ASP A 90 -7.282 -1.152 -11.277 1.00 0.00 C ATOM 1405 CG ASP A 90 -6.690 -1.669 -12.586 1.00 0.00 C ATOM 1406 OD1 ASP A 90 -5.632 -2.342 -12.578 1.00 0.00 O ATOM 1407 OD2 ASP A 90 -7.195 -1.259 -13.657 1.00 0.00 O ATOM 0 H ASP A 90 -9.050 -1.964 -8.839 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.207 -3.197 -10.679 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.234 -0.665 -11.487 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.619 -0.391 -10.865 1.00 0.00 H new ATOM 1412 N PRO A 91 -6.636 -3.011 -7.973 1.00 0.00 N ATOM 1413 CA PRO A 91 -6.029 -2.781 -6.661 1.00 0.00 C ATOM 1414 C PRO A 91 -4.544 -2.467 -6.747 1.00 0.00 C ATOM 1415 O PRO A 91 -4.012 -1.768 -5.883 1.00 0.00 O ATOM 1416 CB PRO A 91 -6.204 -4.064 -5.840 1.00 0.00 C ATOM 1417 CG PRO A 91 -6.717 -5.107 -6.828 1.00 0.00 C ATOM 1418 CD PRO A 91 -7.215 -4.338 -8.050 1.00 0.00 C ATOM 0 HA PRO A 91 -6.519 -1.921 -6.205 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -5.260 -4.377 -5.393 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -6.910 -3.915 -5.023 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.925 -5.803 -7.104 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -7.520 -5.697 -6.387 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.915 -4.838 -8.971 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.304 -4.285 -8.057 1.00 0.00 H new ATOM 1426 N GLU A 92 -3.872 -3.011 -7.758 1.00 0.00 N ATOM 1427 CA GLU A 92 -2.465 -2.770 -8.009 1.00 0.00 C ATOM 1428 C GLU A 92 -2.281 -2.124 -9.381 1.00 0.00 C ATOM 1429 O GLU A 92 -1.206 -2.202 -9.978 1.00 0.00 O ATOM 1430 CB GLU A 92 -1.592 -4.012 -7.757 1.00 0.00 C ATOM 1431 CG GLU A 92 -2.082 -5.011 -6.687 1.00 0.00 C ATOM 1432 CD GLU A 92 -2.939 -6.156 -7.198 1.00 0.00 C ATOM 1433 OE1 GLU A 92 -3.389 -6.133 -8.366 1.00 0.00 O ATOM 1434 OE2 GLU A 92 -3.080 -7.125 -6.415 1.00 0.00 O ATOM 0 H GLU A 92 -4.303 -3.642 -8.434 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.096 -2.052 -7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.489 -4.550 -8.700 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.596 -3.673 -7.472 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.212 -5.430 -6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.652 -4.462 -5.937 1.00 0.00 H new ATOM 1441 N GLY A 93 -3.334 -1.498 -9.902 1.00 0.00 N ATOM 1442 CA GLY A 93 -3.241 -0.463 -10.904 1.00 0.00 C ATOM 1443 C GLY A 93 -3.533 0.842 -10.182 1.00 0.00 C ATOM 1444 O GLY A 93 -2.862 1.185 -9.208 1.00 0.00 O ATOM 0 H GLY A 93 -4.293 -1.708 -9.626 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.250 -0.446 -11.357 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.956 -0.633 -11.709 1.00 0.00 H new ATOM 1448 N GLU A 94 -4.559 1.555 -10.637 1.00 0.00 N ATOM 1449 CA GLU A 94 -4.901 2.887 -10.149 1.00 0.00 C ATOM 1450 C GLU A 94 -5.558 2.909 -8.765 1.00 0.00 C ATOM 1451 O GLU A 94 -5.788 3.995 -8.245 1.00 0.00 O ATOM 1452 CB GLU A 94 -5.779 3.589 -11.188 1.00 0.00 C ATOM 1453 CG GLU A 94 -4.940 4.093 -12.370 1.00 0.00 C ATOM 1454 CD GLU A 94 -4.242 5.416 -12.037 1.00 0.00 C ATOM 1455 OE1 GLU A 94 -3.245 5.422 -11.275 1.00 0.00 O ATOM 1456 OE2 GLU A 94 -4.727 6.438 -12.566 1.00 0.00 O ATOM 0 H GLU A 94 -5.186 1.218 -11.367 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.962 3.425 -10.015 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.543 2.900 -11.548 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.299 4.427 -10.723 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.194 3.343 -12.635 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.581 4.227 -13.242 1.00 0.00 H new ATOM 1463 N GLY A 95 -5.834 1.771 -8.123 1.00 0.00 N ATOM 1464 CA GLY A 95 -6.329 1.738 -6.749 1.00 0.00 C ATOM 1465 C GLY A 95 -5.204 1.868 -5.710 1.00 0.00 C ATOM 1466 O GLY A 95 -5.376 1.411 -4.582 1.00 0.00 O ATOM 0 H GLY A 95 -5.720 0.848 -8.543 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.046 2.547 -6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.865 0.804 -6.583 1.00 0.00 H new ATOM 1470 N TRP A 96 -4.043 2.447 -6.055 1.00 0.00 N ATOM 1471 CA TRP A 96 -3.016 2.809 -5.072 1.00 0.00 C ATOM 1472 C TRP A 96 -3.566 3.869 -4.109 1.00 0.00 C ATOM 1473 O TRP A 96 -4.559 4.530 -4.418 1.00 0.00 O ATOM 1474 CB TRP A 96 -1.723 3.280 -5.768 1.00 0.00 C ATOM 1475 CG TRP A 96 -1.816 4.447 -6.708 1.00 0.00 C ATOM 1476 CD1 TRP A 96 -2.278 4.378 -7.974 1.00 0.00 C ATOM 1477 CD2 TRP A 96 -1.417 5.841 -6.517 1.00 0.00 C ATOM 1478 NE1 TRP A 96 -2.313 5.634 -8.540 1.00 0.00 N ATOM 1479 CE2 TRP A 96 -1.818 6.583 -7.669 1.00 0.00 C ATOM 1480 CE3 TRP A 96 -0.780 6.564 -5.481 1.00 0.00 C ATOM 1481 CZ2 TRP A 96 -1.673 7.976 -7.747 1.00 0.00 C ATOM 1482 CZ3 TRP A 96 -0.597 7.962 -5.565 1.00 0.00 C ATOM 1483 CH2 TRP A 96 -1.045 8.666 -6.696 1.00 0.00 C ATOM 0 H TRP A 96 -3.793 2.675 -7.017 1.00 0.00 H new ATOM 0 HA TRP A 96 -2.756 1.925 -4.490 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -0.999 3.532 -4.993 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -1.315 2.435 -6.323 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -2.578 3.468 -8.473 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -2.659 5.835 -9.478 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.426 6.036 -4.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -2.041 8.514 -8.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -0.112 8.491 -4.758 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -0.907 9.735 -6.757 1.00 0.00 H new ATOM 1494 N LEU A 97 -2.922 4.047 -2.949 1.00 0.00 N ATOM 1495 CA LEU A 97 -3.334 5.058 -1.972 1.00 0.00 C ATOM 1496 C LEU A 97 -2.351 6.223 -2.041 1.00 0.00 C ATOM 1497 O LEU A 97 -2.752 7.364 -2.256 1.00 0.00 O ATOM 1498 CB LEU A 97 -3.440 4.506 -0.534 1.00 0.00 C ATOM 1499 CG LEU A 97 -4.313 3.238 -0.348 1.00 0.00 C ATOM 1500 CD1 LEU A 97 -3.535 2.194 0.441 1.00 0.00 C ATOM 1501 CD2 LEU A 97 -5.609 3.441 0.455 1.00 0.00 C ATOM 0 H LEU A 97 -2.109 3.500 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.339 5.391 -2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.434 4.284 -0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.839 5.293 0.106 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.569 2.946 -1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.150 1.303 0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.626 1.932 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.271 2.598 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.145 2.494 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.365 3.796 1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.237 4.176 -0.048 1.00 0.00 H new ATOM 1513 N PHE A 98 -1.051 5.968 -1.861 1.00 0.00 N ATOM 1514 CA PHE A 98 -0.052 7.030 -1.791 1.00 0.00 C ATOM 1515 C PHE A 98 1.289 6.593 -2.373 1.00 0.00 C ATOM 1516 O PHE A 98 1.497 5.416 -2.682 1.00 0.00 O ATOM 1517 CB PHE A 98 0.072 7.515 -0.333 1.00 0.00 C ATOM 1518 CG PHE A 98 0.537 6.487 0.688 1.00 0.00 C ATOM 1519 CD1 PHE A 98 1.885 6.077 0.728 1.00 0.00 C ATOM 1520 CD2 PHE A 98 -0.366 5.973 1.639 1.00 0.00 C ATOM 1521 CE1 PHE A 98 2.328 5.173 1.707 1.00 0.00 C ATOM 1522 CE2 PHE A 98 0.091 5.093 2.639 1.00 0.00 C ATOM 1523 CZ PHE A 98 1.434 4.684 2.670 1.00 0.00 C ATOM 0 H PHE A 98 -0.668 5.028 -1.761 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.381 7.866 -2.408 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.766 8.355 -0.311 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.899 7.895 -0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.583 6.461 -0.001 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.408 6.254 1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.360 4.854 1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.597 4.730 3.388 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.776 3.997 3.430 1.00 0.00 H new ATOM 1533 N LYS A 99 2.224 7.544 -2.467 1.00 0.00 N ATOM 1534 CA LYS A 99 3.629 7.274 -2.731 1.00 0.00 C ATOM 1535 C LYS A 99 4.493 7.888 -1.647 1.00 0.00 C ATOM 1536 O LYS A 99 4.129 8.912 -1.061 1.00 0.00 O ATOM 1537 CB LYS A 99 4.084 7.846 -4.071 1.00 0.00 C ATOM 1538 CG LYS A 99 3.274 7.382 -5.281 1.00 0.00 C ATOM 1539 CD LYS A 99 4.095 7.594 -6.554 1.00 0.00 C ATOM 1540 CE LYS A 99 3.266 7.195 -7.772 1.00 0.00 C ATOM 1541 NZ LYS A 99 4.038 6.448 -8.779 1.00 0.00 N ATOM 0 H LYS A 99 2.016 8.537 -2.359 1.00 0.00 H new ATOM 0 HA LYS A 99 3.739 6.190 -2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.039 8.934 -4.018 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.129 7.577 -4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.012 6.329 -5.175 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.339 7.939 -5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.397 8.638 -6.634 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.008 7.000 -6.513 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.422 6.587 -7.446 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.853 8.093 -8.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.482 6.368 -9.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.926 6.951 -8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.252 5.497 -8.417 1.00 0.00 H new ATOM 1555 N MET A 100 5.658 7.295 -1.419 1.00 0.00 N ATOM 1556 CA MET A 100 6.560 7.636 -0.340 1.00 0.00 C ATOM 1557 C MET A 100 8.012 7.530 -0.803 1.00 0.00 C ATOM 1558 O MET A 100 8.336 6.621 -1.564 1.00 0.00 O ATOM 1559 CB MET A 100 6.254 6.699 0.836 1.00 0.00 C ATOM 1560 CG MET A 100 6.374 5.200 0.488 1.00 0.00 C ATOM 1561 SD MET A 100 7.995 4.433 0.780 1.00 0.00 S ATOM 1562 CE MET A 100 8.162 4.534 2.586 1.00 0.00 C ATOM 0 H MET A 100 6.008 6.537 -2.005 1.00 0.00 H new ATOM 0 HA MET A 100 6.416 8.668 -0.022 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.934 6.927 1.656 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.244 6.899 1.194 1.00 0.00 H new ATOM 0 HG2 MET A 100 5.628 4.654 1.066 1.00 0.00 H new ATOM 0 HG3 MET A 100 6.119 5.072 -0.564 1.00 0.00 H new ATOM 0 HE1 MET A 100 9.199 4.350 2.866 1.00 0.00 H new ATOM 0 HE2 MET A 100 7.865 5.527 2.924 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.522 3.785 3.053 1.00 0.00 H new ATOM 1572 N GLU A 101 8.875 8.443 -0.359 1.00 0.00 N ATOM 1573 CA GLU A 101 10.318 8.330 -0.482 1.00 0.00 C ATOM 1574 C GLU A 101 10.749 7.132 0.355 1.00 0.00 C ATOM 1575 O GLU A 101 10.328 7.017 1.510 1.00 0.00 O ATOM 1576 CB GLU A 101 10.999 9.598 0.056 1.00 0.00 C ATOM 1577 CG GLU A 101 12.499 9.598 -0.292 1.00 0.00 C ATOM 1578 CD GLU A 101 13.336 10.497 0.620 1.00 0.00 C ATOM 1579 OE1 GLU A 101 12.872 11.594 1.005 1.00 0.00 O ATOM 1580 OE2 GLU A 101 14.490 10.105 0.929 1.00 0.00 O ATOM 0 H GLU A 101 8.577 9.300 0.107 1.00 0.00 H new ATOM 0 HA GLU A 101 10.602 8.206 -1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.522 10.481 -0.368 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.871 9.655 1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.878 8.578 -0.231 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.625 9.924 -1.325 1.00 0.00 H new ATOM 1587 N ILE A 102 11.599 6.271 -0.200 1.00 0.00 N ATOM 1588 CA ILE A 102 12.180 5.159 0.528 1.00 0.00 C ATOM 1589 C ILE A 102 13.463 5.602 1.242 1.00 0.00 C ATOM 1590 O ILE A 102 14.522 5.714 0.615 1.00 0.00 O ATOM 1591 CB ILE A 102 12.406 3.957 -0.403 1.00 0.00 C ATOM 1592 CG1 ILE A 102 13.078 4.303 -1.745 1.00 0.00 C ATOM 1593 CG2 ILE A 102 11.079 3.242 -0.683 1.00 0.00 C ATOM 1594 CD1 ILE A 102 13.837 3.124 -2.347 1.00 0.00 C ATOM 0 H ILE A 102 11.902 6.330 -1.172 1.00 0.00 H new ATOM 0 HA ILE A 102 11.481 4.831 1.298 1.00 0.00 H new ATOM 0 HB ILE A 102 13.098 3.309 0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 102 12.318 4.639 -2.451 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.766 5.135 -1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 102 11.255 2.393 -1.344 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.651 2.889 0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.386 3.935 -1.160 1.00 0.00 H new ATOM 0 HD11 ILE A 102 14.290 3.427 -3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.617 2.803 -1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 102 13.147 2.299 -2.523 1.00 0.00 H new ATOM 1606 N SER A 103 13.403 5.821 2.558 1.00 0.00 N ATOM 1607 CA SER A 103 14.600 6.100 3.355 1.00 0.00 C ATOM 1608 C SER A 103 15.557 4.899 3.444 1.00 0.00 C ATOM 1609 O SER A 103 16.684 5.065 3.905 1.00 0.00 O ATOM 1610 CB SER A 103 14.213 6.638 4.734 1.00 0.00 C ATOM 1611 OG SER A 103 13.677 7.943 4.568 1.00 0.00 O ATOM 0 H SER A 103 12.536 5.810 3.095 1.00 0.00 H new ATOM 0 HA SER A 103 15.161 6.876 2.835 1.00 0.00 H new ATOM 0 HB2 SER A 103 13.480 5.983 5.205 1.00 0.00 H new ATOM 0 HB3 SER A 103 15.084 6.665 5.389 1.00 0.00 H new ATOM 0 HG SER A 103 13.421 8.305 5.442 1.00 0.00 H new ATOM 1617 N ASP A 104 15.167 3.723 2.956 1.00 0.00 N ATOM 1618 CA ASP A 104 16.015 2.549 2.823 1.00 0.00 C ATOM 1619 C ASP A 104 15.582 1.865 1.534 1.00 0.00 C ATOM 1620 O ASP A 104 14.385 1.721 1.328 1.00 0.00 O ATOM 1621 CB ASP A 104 15.774 1.599 4.006 1.00 0.00 C ATOM 1622 CG ASP A 104 16.444 2.083 5.287 1.00 0.00 C ATOM 1623 OD1 ASP A 104 17.680 1.917 5.385 1.00 0.00 O ATOM 1624 OD2 ASP A 104 15.733 2.588 6.191 1.00 0.00 O ATOM 0 H ASP A 104 14.214 3.560 2.631 1.00 0.00 H new ATOM 0 HA ASP A 104 17.071 2.818 2.808 1.00 0.00 H new ATOM 0 HB2 ASP A 104 14.702 1.499 4.176 1.00 0.00 H new ATOM 0 HB3 ASP A 104 16.151 0.608 3.755 1.00 0.00 H new ATOM 1629 N GLU A 105 16.517 1.432 0.686 1.00 0.00 N ATOM 1630 CA GLU A 105 16.354 0.465 -0.409 1.00 0.00 C ATOM 1631 C GLU A 105 16.857 -0.912 0.085 1.00 0.00 C ATOM 1632 O GLU A 105 16.806 -1.895 -0.652 1.00 0.00 O ATOM 1633 CB GLU A 105 17.160 1.072 -1.600 1.00 0.00 C ATOM 1634 CG GLU A 105 17.828 0.112 -2.596 1.00 0.00 C ATOM 1635 CD GLU A 105 18.403 0.812 -3.844 1.00 0.00 C ATOM 1636 OE1 GLU A 105 17.695 1.616 -4.501 1.00 0.00 O ATOM 1637 OE2 GLU A 105 19.569 0.552 -4.220 1.00 0.00 O ATOM 0 H GLU A 105 17.477 1.770 0.748 1.00 0.00 H new ATOM 0 HA GLU A 105 15.327 0.296 -0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 105 16.485 1.717 -2.163 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.938 1.711 -1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.631 -0.423 -2.088 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.099 -0.634 -2.913 1.00 0.00 H new ATOM 1644 N GLY A 106 17.290 -1.023 1.347 1.00 0.00 N ATOM 1645 CA GLY A 106 17.736 -2.274 1.944 1.00 0.00 C ATOM 1646 C GLY A 106 16.624 -2.994 2.689 1.00 0.00 C ATOM 1647 O GLY A 106 16.520 -4.212 2.568 1.00 0.00 O ATOM 0 H GLY A 106 17.338 -0.230 1.986 1.00 0.00 H new ATOM 0 HA2 GLY A 106 18.127 -2.926 1.163 1.00 0.00 H new ATOM 0 HA3 GLY A 106 18.558 -2.072 2.631 1.00 0.00 H new ATOM 1651 N GLU A 107 15.761 -2.265 3.403 1.00 0.00 N ATOM 1652 CA GLU A 107 14.680 -2.870 4.188 1.00 0.00 C ATOM 1653 C GLU A 107 13.669 -3.564 3.266 1.00 0.00 C ATOM 1654 O GLU A 107 13.015 -4.514 3.679 1.00 0.00 O ATOM 1655 CB GLU A 107 13.993 -1.798 5.048 1.00 0.00 C ATOM 1656 CG GLU A 107 14.823 -1.398 6.279 1.00 0.00 C ATOM 1657 CD GLU A 107 14.646 -2.323 7.487 1.00 0.00 C ATOM 1658 OE1 GLU A 107 13.486 -2.469 7.946 1.00 0.00 O ATOM 1659 OE2 GLU A 107 15.649 -2.790 8.079 1.00 0.00 O ATOM 0 H GLU A 107 15.791 -1.247 3.453 1.00 0.00 H new ATOM 0 HA GLU A 107 15.104 -3.625 4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 107 13.807 -0.914 4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 107 13.022 -2.169 5.375 1.00 0.00 H new ATOM 0 HG2 GLU A 107 15.877 -1.380 6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 107 14.553 -0.383 6.571 1.00 0.00 H new ATOM 1666 N LEU A 108 13.591 -3.141 2.003 1.00 0.00 N ATOM 1667 CA LEU A 108 12.993 -3.804 0.867 1.00 0.00 C ATOM 1668 C LEU A 108 13.231 -5.313 0.888 1.00 0.00 C ATOM 1669 O LEU A 108 12.301 -6.052 0.610 1.00 0.00 O ATOM 1670 CB LEU A 108 13.614 -3.236 -0.407 1.00 0.00 C ATOM 1671 CG LEU A 108 13.242 -1.794 -0.794 1.00 0.00 C ATOM 1672 CD1 LEU A 108 13.242 -0.724 0.268 1.00 0.00 C ATOM 1673 CD2 LEU A 108 13.779 -1.379 -2.150 1.00 0.00 C ATOM 0 H LEU A 108 13.986 -2.239 1.736 1.00 0.00 H new ATOM 0 HA LEU A 108 11.917 -3.631 0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.698 -3.289 -0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 108 13.339 -3.889 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 108 12.161 -1.878 -0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 108 12.957 0.230 -0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 108 12.529 -0.987 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 108 14.239 -0.640 0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 108 13.481 -0.352 -2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 108 14.867 -1.447 -2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 108 13.376 -2.039 -2.918 1.00 0.00 H new ATOM 1685 N GLU A 109 14.436 -5.798 1.176 1.00 0.00 N ATOM 1686 CA GLU A 109 14.721 -7.228 1.127 1.00 0.00 C ATOM 1687 C GLU A 109 14.230 -7.970 2.383 1.00 0.00 C ATOM 1688 O GLU A 109 14.249 -9.205 2.393 1.00 0.00 O ATOM 1689 CB GLU A 109 16.220 -7.434 0.855 1.00 0.00 C ATOM 1690 CG GLU A 109 16.585 -7.156 -0.618 1.00 0.00 C ATOM 1691 CD GLU A 109 16.013 -8.194 -1.595 1.00 0.00 C ATOM 1692 OE1 GLU A 109 16.032 -9.402 -1.264 1.00 0.00 O ATOM 1693 OE2 GLU A 109 15.516 -7.830 -2.686 1.00 0.00 O ATOM 0 H GLU A 109 15.232 -5.220 1.446 1.00 0.00 H new ATOM 0 HA GLU A 109 14.159 -7.672 0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.799 -6.776 1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.497 -8.457 1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.219 -6.167 -0.895 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.670 -7.134 -0.718 1.00 0.00 H new ATOM 1700 N ASP A 110 13.755 -7.261 3.416 1.00 0.00 N ATOM 1701 CA ASP A 110 13.036 -7.823 4.568 1.00 0.00 C ATOM 1702 C ASP A 110 11.522 -7.907 4.306 1.00 0.00 C ATOM 1703 O ASP A 110 10.817 -8.594 5.051 1.00 0.00 O ATOM 1704 CB ASP A 110 13.356 -7.004 5.840 1.00 0.00 C ATOM 1705 CG ASP A 110 12.492 -7.318 7.055 1.00 0.00 C ATOM 1706 OD1 ASP A 110 12.620 -8.422 7.631 1.00 0.00 O ATOM 1707 OD2 ASP A 110 11.588 -6.514 7.389 1.00 0.00 O ATOM 0 H ASP A 110 13.864 -6.249 3.475 1.00 0.00 H new ATOM 0 HA ASP A 110 13.379 -8.846 4.725 1.00 0.00 H new ATOM 0 HB2 ASP A 110 14.400 -7.170 6.105 1.00 0.00 H new ATOM 0 HB3 ASP A 110 13.252 -5.945 5.605 1.00 0.00 H new ATOM 1712 N LEU A 111 10.974 -7.272 3.261 1.00 0.00 N ATOM 1713 CA LEU A 111 9.603 -7.555 2.829 1.00 0.00 C ATOM 1714 C LEU A 111 9.530 -8.982 2.300 1.00 0.00 C ATOM 1715 O LEU A 111 10.540 -9.644 2.048 1.00 0.00 O ATOM 1716 CB LEU A 111 9.193 -6.611 1.700 1.00 0.00 C ATOM 1717 CG LEU A 111 8.936 -5.134 2.000 1.00 0.00 C ATOM 1718 CD1 LEU A 111 7.575 -4.854 2.639 1.00 0.00 C ATOM 1719 CD2 LEU A 111 10.035 -4.480 2.778 1.00 0.00 C ATOM 0 H LEU A 111 11.456 -6.566 2.705 1.00 0.00 H new ATOM 0 HA LEU A 111 8.936 -7.420 3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.972 -6.657 0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.285 -7.015 1.252 1.00 0.00 H new ATOM 0 HG LEU A 111 8.920 -4.673 1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 111 7.471 -3.784 2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.783 -5.187 1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.500 -5.391 3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 111 9.784 -3.434 2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 111 10.157 -4.989 3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 111 10.966 -4.540 2.214 1.00 0.00 H new ATOM 1731 N LEU A 112 8.305 -9.438 2.079 1.00 0.00 N ATOM 1732 CA LEU A 112 8.058 -10.701 1.424 1.00 0.00 C ATOM 1733 C LEU A 112 8.327 -10.491 -0.064 1.00 0.00 C ATOM 1734 O LEU A 112 7.925 -9.471 -0.643 1.00 0.00 O ATOM 1735 CB LEU A 112 6.607 -11.123 1.677 1.00 0.00 C ATOM 1736 CG LEU A 112 6.305 -11.341 3.178 1.00 0.00 C ATOM 1737 CD1 LEU A 112 4.827 -11.094 3.435 1.00 0.00 C ATOM 1738 CD2 LEU A 112 6.702 -12.728 3.687 1.00 0.00 C ATOM 0 H LEU A 112 7.459 -8.938 2.351 1.00 0.00 H new ATOM 0 HA LEU A 112 8.702 -11.493 1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 112 5.936 -10.360 1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.399 -12.043 1.131 1.00 0.00 H new ATOM 0 HG LEU A 112 6.916 -10.628 3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.611 -11.247 4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.576 -10.070 3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.233 -11.787 2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 112 6.461 -12.809 4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.155 -13.490 3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 112 7.773 -12.875 3.546 1.00 0.00 H new ATOM 1750 N ASP A 113 8.964 -11.483 -0.689 1.00 0.00 N ATOM 1751 CA ASP A 113 8.916 -11.640 -2.137 1.00 0.00 C ATOM 1752 C ASP A 113 7.471 -11.827 -2.573 1.00 0.00 C ATOM 1753 O ASP A 113 6.573 -12.078 -1.783 1.00 0.00 O ATOM 1754 CB ASP A 113 9.722 -12.859 -2.614 1.00 0.00 C ATOM 1755 CG ASP A 113 11.192 -12.550 -2.810 1.00 0.00 C ATOM 1756 OD1 ASP A 113 11.514 -11.682 -3.656 1.00 0.00 O ATOM 1757 OD2 ASP A 113 12.020 -13.226 -2.170 1.00 0.00 O ATOM 0 H ASP A 113 9.520 -12.191 -0.209 1.00 0.00 H new ATOM 0 HA ASP A 113 9.352 -10.743 -2.577 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.618 -13.665 -1.887 1.00 0.00 H new ATOM 0 HB3 ASP A 113 9.303 -13.221 -3.553 1.00 0.00 H new ATOM 1762 N GLU A 114 7.263 -11.810 -3.874 1.00 0.00 N ATOM 1763 CA GLU A 114 5.994 -12.022 -4.546 1.00 0.00 C ATOM 1764 C GLU A 114 5.495 -13.451 -4.348 1.00 0.00 C ATOM 1765 O GLU A 114 4.289 -13.677 -4.246 1.00 0.00 O ATOM 1766 CB GLU A 114 6.242 -11.736 -6.024 1.00 0.00 C ATOM 1767 CG GLU A 114 4.961 -11.748 -6.867 1.00 0.00 C ATOM 1768 CD GLU A 114 5.281 -11.292 -8.293 1.00 0.00 C ATOM 1769 OE1 GLU A 114 5.896 -10.219 -8.477 1.00 0.00 O ATOM 1770 OE2 GLU A 114 4.978 -12.006 -9.276 1.00 0.00 O ATOM 0 H GLU A 114 8.022 -11.637 -4.533 1.00 0.00 H new ATOM 0 HA GLU A 114 5.223 -11.368 -4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.725 -10.764 -6.123 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.936 -12.478 -6.419 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.533 -12.750 -6.882 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.215 -11.089 -6.423 1.00 0.00 H new ATOM 1777 N GLN A 115 6.407 -14.425 -4.287 1.00 0.00 N ATOM 1778 CA GLN A 115 6.113 -15.798 -3.995 1.00 0.00 C ATOM 1779 C GLN A 115 5.959 -15.978 -2.479 1.00 0.00 C ATOM 1780 O GLN A 115 5.000 -16.602 -2.033 1.00 0.00 O ATOM 1781 CB GLN A 115 7.256 -16.619 -4.603 1.00 0.00 C ATOM 1782 CG GLN A 115 7.017 -18.101 -4.373 1.00 0.00 C ATOM 1783 CD GLN A 115 7.797 -18.986 -5.346 1.00 0.00 C ATOM 1784 OE1 GLN A 115 7.685 -18.856 -6.566 1.00 0.00 O ATOM 1785 NE2 GLN A 115 8.547 -19.949 -4.857 1.00 0.00 N ATOM 0 H GLN A 115 7.400 -14.255 -4.448 1.00 0.00 H new ATOM 0 HA GLN A 115 5.170 -16.136 -4.425 1.00 0.00 H new ATOM 0 HB2 GLN A 115 7.330 -16.417 -5.671 1.00 0.00 H new ATOM 0 HB3 GLN A 115 8.205 -16.322 -4.156 1.00 0.00 H new ATOM 0 HG2 GLN A 115 7.300 -18.355 -3.351 1.00 0.00 H new ATOM 0 HG3 GLN A 115 5.952 -18.312 -4.471 1.00 0.00 H new ATOM 0 HE21 GLN A 115 8.642 -20.059 -3.847 1.00 0.00 H new ATOM 0 HE22 GLN A 115 9.034 -20.586 -5.487 1.00 0.00 H new ATOM 1794 N ALA A 116 6.857 -15.384 -1.680 1.00 0.00 N ATOM 1795 CA ALA A 116 6.789 -15.472 -0.219 1.00 0.00 C ATOM 1796 C ALA A 116 5.505 -14.828 0.319 1.00 0.00 C ATOM 1797 O ALA A 116 4.945 -15.269 1.318 1.00 0.00 O ATOM 1798 CB ALA A 116 8.021 -14.828 0.416 1.00 0.00 C ATOM 0 H ALA A 116 7.643 -14.834 -2.027 1.00 0.00 H new ATOM 0 HA ALA A 116 6.771 -16.528 0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 116 7.952 -14.903 1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 116 8.918 -15.343 0.073 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.072 -13.778 0.128 1.00 0.00 H new ATOM 1804 N TYR A 117 5.006 -13.803 -0.369 1.00 0.00 N ATOM 1805 CA TYR A 117 3.749 -13.142 -0.054 1.00 0.00 C ATOM 1806 C TYR A 117 2.581 -14.132 -0.108 1.00 0.00 C ATOM 1807 O TYR A 117 1.713 -14.097 0.768 1.00 0.00 O ATOM 1808 CB TYR A 117 3.604 -11.952 -1.012 1.00 0.00 C ATOM 1809 CG TYR A 117 2.202 -11.440 -1.250 1.00 0.00 C ATOM 1810 CD1 TYR A 117 1.497 -10.749 -0.252 1.00 0.00 C ATOM 1811 CD2 TYR A 117 1.598 -11.685 -2.491 1.00 0.00 C ATOM 1812 CE1 TYR A 117 0.160 -10.374 -0.476 1.00 0.00 C ATOM 1813 CE2 TYR A 117 0.260 -11.336 -2.720 1.00 0.00 C ATOM 1814 CZ TYR A 117 -0.477 -10.703 -1.694 1.00 0.00 C ATOM 1815 OH TYR A 117 -1.803 -10.422 -1.839 1.00 0.00 O ATOM 0 H TYR A 117 5.478 -13.402 -1.179 1.00 0.00 H new ATOM 0 HA TYR A 117 3.741 -12.763 0.968 1.00 0.00 H new ATOM 0 HB2 TYR A 117 4.206 -11.129 -0.626 1.00 0.00 H new ATOM 0 HB3 TYR A 117 4.031 -12.236 -1.974 1.00 0.00 H new ATOM 0 HD1 TYR A 117 1.979 -10.506 0.684 1.00 0.00 H new ATOM 0 HD2 TYR A 117 2.171 -12.148 -3.281 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -0.382 -9.833 0.285 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -0.203 -11.549 -3.672 1.00 0.00 H new ATOM 0 HH TYR A 117 -2.102 -10.704 -2.729 1.00 0.00 H new ATOM 1825 N GLN A 118 2.586 -15.039 -1.090 1.00 0.00 N ATOM 1826 CA GLN A 118 1.615 -16.128 -1.178 1.00 0.00 C ATOM 1827 C GLN A 118 1.850 -17.125 -0.048 1.00 0.00 C ATOM 1828 O GLN A 118 0.899 -17.588 0.578 1.00 0.00 O ATOM 1829 CB GLN A 118 1.686 -16.890 -2.518 1.00 0.00 C ATOM 1830 CG GLN A 118 2.060 -16.061 -3.744 1.00 0.00 C ATOM 1831 CD GLN A 118 1.087 -14.926 -4.056 1.00 0.00 C ATOM 1832 OE1 GLN A 118 -0.045 -14.883 -3.585 1.00 0.00 O ATOM 1833 NE2 GLN A 118 1.496 -13.980 -4.881 1.00 0.00 N ATOM 0 H GLN A 118 3.268 -15.036 -1.848 1.00 0.00 H new ATOM 0 HA GLN A 118 0.629 -15.669 -1.101 1.00 0.00 H new ATOM 0 HB2 GLN A 118 2.411 -17.697 -2.415 1.00 0.00 H new ATOM 0 HB3 GLN A 118 0.717 -17.354 -2.700 1.00 0.00 H new ATOM 0 HG2 GLN A 118 3.054 -15.640 -3.594 1.00 0.00 H new ATOM 0 HG3 GLN A 118 2.120 -16.721 -4.610 1.00 0.00 H new ATOM 0 HE21 GLN A 118 2.437 -14.016 -5.272 1.00 0.00 H new ATOM 0 HE22 GLN A 118 0.871 -13.213 -5.127 1.00 0.00 H new ATOM 1842 N GLU A 119 3.113 -17.489 0.183 1.00 0.00 N ATOM 1843 CA GLU A 119 3.499 -18.491 1.175 1.00 0.00 C ATOM 1844 C GLU A 119 2.951 -18.116 2.556 1.00 0.00 C ATOM 1845 O GLU A 119 2.327 -18.946 3.214 1.00 0.00 O ATOM 1846 CB GLU A 119 5.022 -18.751 1.142 1.00 0.00 C ATOM 1847 CG GLU A 119 5.834 -18.386 2.399 1.00 0.00 C ATOM 1848 CD GLU A 119 7.312 -18.721 2.203 1.00 0.00 C ATOM 1849 OE1 GLU A 119 7.654 -19.918 2.090 1.00 0.00 O ATOM 1850 OE2 GLU A 119 8.153 -17.800 2.069 1.00 0.00 O ATOM 0 H GLU A 119 3.905 -17.090 -0.321 1.00 0.00 H new ATOM 0 HA GLU A 119 3.042 -19.448 0.922 1.00 0.00 H new ATOM 0 HB2 GLU A 119 5.178 -19.810 0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 119 5.439 -18.199 0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 119 5.722 -17.323 2.614 1.00 0.00 H new ATOM 0 HG3 GLU A 119 5.444 -18.929 3.260 1.00 0.00 H new ATOM 1857 N PHE A 120 3.115 -16.853 2.953 1.00 0.00 N ATOM 1858 CA PHE A 120 2.672 -16.295 4.223 1.00 0.00 C ATOM 1859 C PHE A 120 1.183 -16.556 4.443 1.00 0.00 C ATOM 1860 O PHE A 120 0.761 -17.035 5.499 1.00 0.00 O ATOM 1861 CB PHE A 120 2.961 -14.788 4.183 1.00 0.00 C ATOM 1862 CG PHE A 120 2.784 -14.084 5.510 1.00 0.00 C ATOM 1863 CD1 PHE A 120 3.509 -14.516 6.633 1.00 0.00 C ATOM 1864 CD2 PHE A 120 1.893 -13.002 5.633 1.00 0.00 C ATOM 1865 CE1 PHE A 120 3.330 -13.881 7.870 1.00 0.00 C ATOM 1866 CE2 PHE A 120 1.716 -12.367 6.873 1.00 0.00 C ATOM 1867 CZ PHE A 120 2.447 -12.795 7.994 1.00 0.00 C ATOM 0 H PHE A 120 3.583 -16.162 2.367 1.00 0.00 H new ATOM 0 HA PHE A 120 3.202 -16.765 5.052 1.00 0.00 H new ATOM 0 HB2 PHE A 120 3.984 -14.635 3.838 1.00 0.00 H new ATOM 0 HB3 PHE A 120 2.304 -14.323 3.448 1.00 0.00 H new ATOM 0 HD1 PHE A 120 4.204 -15.337 6.543 1.00 0.00 H new ATOM 0 HD2 PHE A 120 1.343 -12.658 4.770 1.00 0.00 H new ATOM 0 HE1 PHE A 120 3.875 -14.229 8.735 1.00 0.00 H new ATOM 0 HE2 PHE A 120 1.017 -11.549 6.965 1.00 0.00 H new ATOM 0 HZ PHE A 120 2.331 -12.293 8.943 1.00 0.00 H new ATOM 1877 N CYS A 121 0.387 -16.240 3.419 1.00 0.00 N ATOM 1878 CA CYS A 121 -1.065 -16.381 3.441 1.00 0.00 C ATOM 1879 C CYS A 121 -1.509 -17.853 3.519 1.00 0.00 C ATOM 1880 O CYS A 121 -2.635 -18.121 3.945 1.00 0.00 O ATOM 1881 CB CYS A 121 -1.657 -15.708 2.192 1.00 0.00 C ATOM 1882 SG CYS A 121 -3.293 -15.010 2.564 1.00 0.00 S ATOM 0 H CYS A 121 0.743 -15.873 2.537 1.00 0.00 H new ATOM 0 HA CYS A 121 -1.438 -15.892 4.341 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -0.989 -14.920 1.844 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -1.740 -16.435 1.384 1.00 0.00 H new ATOM 0 HG CYS A 121 -3.712 -14.319 1.545 1.00 0.00 H new ATOM 1888 N ALA A 122 -0.652 -18.802 3.122 1.00 0.00 N ATOM 1889 CA ALA A 122 -0.913 -20.236 3.212 1.00 0.00 C ATOM 1890 C ALA A 122 -0.515 -20.827 4.572 1.00 0.00 C ATOM 1891 O ALA A 122 -0.788 -22.004 4.803 1.00 0.00 O ATOM 1892 CB ALA A 122 -0.180 -20.970 2.081 1.00 0.00 C ATOM 0 H ALA A 122 0.261 -18.585 2.721 1.00 0.00 H new ATOM 0 HA ALA A 122 -1.989 -20.376 3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -0.378 -22.039 2.153 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -0.533 -20.600 1.118 1.00 0.00 H new ATOM 0 HB3 ALA A 122 0.892 -20.793 2.167 1.00 0.00 H new ATOM 1898 N GLN A 123 0.129 -20.052 5.456 1.00 0.00 N ATOM 1899 CA GLN A 123 0.441 -20.476 6.819 1.00 0.00 C ATOM 1900 C GLN A 123 -0.506 -19.846 7.844 1.00 0.00 C ATOM 1901 O GLN A 123 -0.500 -20.284 8.994 1.00 0.00 O ATOM 1902 CB GLN A 123 1.892 -20.110 7.180 1.00 0.00 C ATOM 1903 CG GLN A 123 2.932 -20.750 6.259 1.00 0.00 C ATOM 1904 CD GLN A 123 4.352 -20.592 6.804 1.00 0.00 C ATOM 1905 OE1 GLN A 123 4.868 -19.482 6.917 1.00 0.00 O ATOM 1906 NE2 GLN A 123 5.013 -21.684 7.161 1.00 0.00 N ATOM 0 H GLN A 123 0.448 -19.108 5.239 1.00 0.00 H new ATOM 0 HA GLN A 123 0.314 -21.558 6.852 1.00 0.00 H new ATOM 0 HB2 GLN A 123 2.004 -19.026 7.144 1.00 0.00 H new ATOM 0 HB3 GLN A 123 2.091 -20.417 8.207 1.00 0.00 H new ATOM 0 HG2 GLN A 123 2.706 -21.809 6.137 1.00 0.00 H new ATOM 0 HG3 GLN A 123 2.870 -20.295 5.270 1.00 0.00 H new ATOM 0 HE21 GLN A 123 4.575 -22.600 7.063 1.00 0.00 H new ATOM 0 HE22 GLN A 123 5.959 -21.608 7.534 1.00 0.00 H new ATOM 1915 N GLU A 124 -1.274 -18.821 7.455 1.00 0.00 N ATOM 1916 CA GLU A 124 -2.051 -17.983 8.362 1.00 0.00 C ATOM 1917 C GLU A 124 -3.016 -18.822 9.182 1.00 0.00 C ATOM 1918 O GLU A 124 -2.894 -18.767 10.423 1.00 0.00 O ATOM 1919 CB GLU A 124 -2.760 -16.866 7.575 1.00 0.00 C ATOM 1920 CG GLU A 124 -3.708 -16.061 8.482 1.00 0.00 C ATOM 1921 CD GLU A 124 -4.303 -14.816 7.823 1.00 0.00 C ATOM 1922 OE1 GLU A 124 -3.571 -14.074 7.134 1.00 0.00 O ATOM 1923 OE2 GLU A 124 -5.498 -14.529 8.086 1.00 0.00 O ATOM 0 H GLU A 124 -1.371 -18.549 6.477 1.00 0.00 H new ATOM 0 HA GLU A 124 -1.377 -17.503 9.072 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -2.018 -16.199 7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -3.324 -17.301 6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -4.521 -16.711 8.805 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.166 -15.759 9.378 1.00 0.00 H new TER 1930 GLU A 124