USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 585 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 154:sc= -0.113 (180deg=-0.92) USER MOD Single : A 1 MET N :NH3+ -158:sc= -0.152 (180deg=-0.383) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -159:sc= -0.0159 (180deg=-0.458) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -3.53! C(o=-3.5!,f=-4.2!) USER MOD Single : A 39 MET CE :methyl 170:sc= -1.55 (180deg=-1.79) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.762 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 83:sc= 0.144 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 150:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -5.03! C(o=-5!,f=-9.1!) USER MOD Single : A 70 SER OG : rot 180:sc= -0.0209 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -1.82 K(o=-1.8,f=-2.7!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 71.155 1.034 -10.247 1.00 0.00 N ATOM 2 CA MET A 1 69.800 0.423 -10.147 1.00 0.00 C ATOM 3 C MET A 1 69.940 -1.085 -9.976 1.00 0.00 C ATOM 4 O MET A 1 69.373 -1.864 -10.740 1.00 0.00 O ATOM 5 CB MET A 1 69.000 0.737 -11.410 1.00 0.00 C ATOM 6 CG MET A 1 68.674 2.230 -11.437 1.00 0.00 C ATOM 7 SD MET A 1 67.763 2.632 -12.950 1.00 0.00 S ATOM 8 CE MET A 1 66.224 1.761 -12.552 1.00 0.00 C ATOM 0 H1 MET A 1 71.101 2.041 -9.992 1.00 0.00 H new ATOM 0 H2 MET A 1 71.804 0.546 -9.597 1.00 0.00 H new ATOM 0 H3 MET A 1 71.506 0.942 -11.221 1.00 0.00 H new ATOM 0 HA MET A 1 69.274 0.835 -9.286 1.00 0.00 H new ATOM 0 HB2 MET A 1 69.572 0.461 -12.296 1.00 0.00 H new ATOM 0 HB3 MET A 1 68.081 0.151 -11.429 1.00 0.00 H new ATOM 0 HG2 MET A 1 68.081 2.498 -10.563 1.00 0.00 H new ATOM 0 HG3 MET A 1 69.594 2.813 -11.389 1.00 0.00 H new ATOM 0 HE1 MET A 1 65.394 2.227 -13.083 1.00 0.00 H new ATOM 0 HE2 MET A 1 66.308 0.717 -12.854 1.00 0.00 H new ATOM 0 HE3 MET A 1 66.043 1.814 -11.478 1.00 0.00 H new ATOM 20 N TYR A 2 70.704 -1.481 -8.965 1.00 0.00 N ATOM 21 CA TYR A 2 70.921 -2.896 -8.688 1.00 0.00 C ATOM 22 C TYR A 2 69.678 -3.489 -8.038 1.00 0.00 C ATOM 23 O TYR A 2 69.011 -2.830 -7.240 1.00 0.00 O ATOM 24 CB TYR A 2 72.138 -3.070 -7.770 1.00 0.00 C ATOM 25 CG TYR A 2 72.668 -4.496 -7.847 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.139 -5.499 -7.017 1.00 0.00 C ATOM 27 CD2 TYR A 2 73.707 -4.812 -8.741 1.00 0.00 C ATOM 28 CE1 TYR A 2 72.640 -6.805 -7.085 1.00 0.00 C ATOM 29 CE2 TYR A 2 74.203 -6.120 -8.805 1.00 0.00 C ATOM 30 CZ TYR A 2 73.672 -7.114 -7.977 1.00 0.00 C ATOM 31 OH TYR A 2 74.162 -8.403 -8.043 1.00 0.00 O ATOM 0 H TYR A 2 71.182 -0.846 -8.326 1.00 0.00 H new ATOM 0 HA TYR A 2 71.114 -3.420 -9.624 1.00 0.00 H new ATOM 0 HB2 TYR A 2 72.921 -2.369 -8.059 1.00 0.00 H new ATOM 0 HB3 TYR A 2 71.862 -2.834 -6.742 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.344 -5.262 -6.325 1.00 0.00 H new ATOM 0 HD2 TYR A 2 74.122 -4.045 -9.378 1.00 0.00 H new ATOM 0 HE1 TYR A 2 72.229 -7.574 -6.448 1.00 0.00 H new ATOM 0 HE2 TYR A 2 74.998 -6.362 -9.495 1.00 0.00 H new ATOM 0 HH TYR A 2 74.875 -8.448 -8.714 1.00 0.00 H new ATOM 41 N GLU A 3 69.362 -4.733 -8.392 1.00 0.00 N ATOM 42 CA GLU A 3 68.180 -5.414 -7.842 1.00 0.00 C ATOM 43 C GLU A 3 68.605 -6.562 -6.940 1.00 0.00 C ATOM 44 O GLU A 3 69.501 -7.333 -7.281 1.00 0.00 O ATOM 45 CB GLU A 3 67.293 -5.952 -8.973 1.00 0.00 C ATOM 46 CG GLU A 3 66.625 -4.783 -9.706 1.00 0.00 C ATOM 47 CD GLU A 3 65.801 -5.302 -10.881 1.00 0.00 C ATOM 48 OE1 GLU A 3 65.777 -6.507 -11.076 1.00 0.00 O ATOM 49 OE2 GLU A 3 65.210 -4.486 -11.569 1.00 0.00 O ATOM 0 H GLU A 3 69.901 -5.292 -9.053 1.00 0.00 H new ATOM 0 HA GLU A 3 67.611 -4.690 -7.259 1.00 0.00 H new ATOM 0 HB2 GLU A 3 67.892 -6.537 -9.671 1.00 0.00 H new ATOM 0 HB3 GLU A 3 66.534 -6.620 -8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 3 65.984 -4.231 -9.018 1.00 0.00 H new ATOM 0 HG3 GLU A 3 67.384 -4.087 -10.063 1.00 0.00 H new ATOM 56 N PHE A 4 67.949 -6.674 -5.783 1.00 0.00 N ATOM 57 CA PHE A 4 68.268 -7.741 -4.828 1.00 0.00 C ATOM 58 C PHE A 4 67.246 -8.870 -4.921 1.00 0.00 C ATOM 59 O PHE A 4 66.060 -8.684 -4.646 1.00 0.00 O ATOM 60 CB PHE A 4 68.320 -7.166 -3.392 1.00 0.00 C ATOM 61 CG PHE A 4 68.186 -8.265 -2.345 1.00 0.00 C ATOM 62 CD1 PHE A 4 69.204 -9.220 -2.188 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.039 -8.331 -1.531 1.00 0.00 C ATOM 64 CE1 PHE A 4 69.074 -10.235 -1.233 1.00 0.00 C ATOM 65 CE2 PHE A 4 66.918 -9.345 -0.575 1.00 0.00 C ATOM 66 CZ PHE A 4 67.933 -10.297 -0.429 1.00 0.00 C ATOM 0 H PHE A 4 67.201 -6.047 -5.485 1.00 0.00 H new ATOM 0 HA PHE A 4 69.247 -8.152 -5.075 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.261 -6.635 -3.245 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.519 -6.438 -3.261 1.00 0.00 H new ATOM 0 HD1 PHE A 4 70.089 -9.171 -2.805 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.253 -7.599 -1.645 1.00 0.00 H new ATOM 0 HE1 PHE A 4 69.856 -10.971 -1.118 1.00 0.00 H new ATOM 0 HE2 PHE A 4 66.040 -9.393 0.052 1.00 0.00 H new ATOM 0 HZ PHE A 4 67.834 -11.081 0.307 1.00 0.00 H new ATOM 76 N LYS A 5 67.728 -10.050 -5.302 1.00 0.00 N ATOM 77 CA LYS A 5 66.872 -11.234 -5.421 1.00 0.00 C ATOM 78 C LYS A 5 67.375 -12.311 -4.471 1.00 0.00 C ATOM 79 O LYS A 5 68.418 -12.914 -4.722 1.00 0.00 O ATOM 80 CB LYS A 5 66.908 -11.766 -6.856 1.00 0.00 C ATOM 81 CG LYS A 5 66.305 -10.727 -7.803 1.00 0.00 C ATOM 82 CD LYS A 5 66.370 -11.248 -9.240 1.00 0.00 C ATOM 83 CE LYS A 5 65.746 -10.219 -10.183 1.00 0.00 C ATOM 84 NZ LYS A 5 65.825 -10.713 -11.587 1.00 0.00 N ATOM 0 H LYS A 5 68.707 -10.215 -5.535 1.00 0.00 H new ATOM 0 HA LYS A 5 65.847 -10.963 -5.168 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.935 -11.986 -7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.351 -12.700 -6.922 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.271 -10.523 -7.525 1.00 0.00 H new ATOM 0 HG3 LYS A 5 66.849 -9.786 -7.721 1.00 0.00 H new ATOM 0 HD2 LYS A 5 67.405 -11.436 -9.524 1.00 0.00 H new ATOM 0 HD3 LYS A 5 65.840 -12.197 -9.318 1.00 0.00 H new ATOM 0 HE2 LYS A 5 64.706 -10.042 -9.907 1.00 0.00 H new ATOM 0 HE3 LYS A 5 66.267 -9.266 -10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 65.400 -10.011 -12.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 66.821 -10.860 -11.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 65.309 -11.612 -11.668 1.00 0.00 H new ATOM 98 N LEU A 6 66.627 -12.541 -3.382 1.00 0.00 N ATOM 99 CA LEU A 6 67.008 -13.549 -2.371 1.00 0.00 C ATOM 100 C LEU A 6 67.775 -14.714 -3.020 1.00 0.00 C ATOM 101 O LEU A 6 67.163 -15.657 -3.521 1.00 0.00 O ATOM 102 CB LEU A 6 65.751 -14.079 -1.649 1.00 0.00 C ATOM 103 CG LEU A 6 66.106 -15.280 -0.757 1.00 0.00 C ATOM 104 CD1 LEU A 6 67.309 -14.943 0.130 1.00 0.00 C ATOM 105 CD2 LEU A 6 64.904 -15.617 0.128 1.00 0.00 C ATOM 0 H LEU A 6 65.758 -12.048 -3.176 1.00 0.00 H new ATOM 0 HA LEU A 6 67.663 -13.071 -1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 6 65.311 -13.286 -1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 6 65.000 -14.373 -2.383 1.00 0.00 H new ATOM 0 HG LEU A 6 66.359 -16.133 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 6 67.551 -15.801 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 6 68.166 -14.699 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 6 67.067 -14.089 0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 6 65.148 -16.468 0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 6 64.658 -14.757 0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 6 64.049 -15.866 -0.500 1.00 0.00 H new ATOM 117 N PRO A 7 69.097 -14.661 -3.048 1.00 0.00 N ATOM 118 CA PRO A 7 69.926 -15.736 -3.681 1.00 0.00 C ATOM 119 C PRO A 7 69.695 -17.105 -3.046 1.00 0.00 C ATOM 120 O PRO A 7 69.376 -17.214 -1.862 1.00 0.00 O ATOM 121 CB PRO A 7 71.383 -15.267 -3.482 1.00 0.00 C ATOM 122 CG PRO A 7 71.294 -13.804 -3.194 1.00 0.00 C ATOM 123 CD PRO A 7 69.953 -13.588 -2.498 1.00 0.00 C ATOM 0 HA PRO A 7 69.666 -15.871 -4.731 1.00 0.00 H new ATOM 0 HB2 PRO A 7 71.859 -15.801 -2.659 1.00 0.00 H new ATOM 0 HB3 PRO A 7 71.982 -15.456 -4.373 1.00 0.00 H new ATOM 0 HG2 PRO A 7 72.119 -13.481 -2.559 1.00 0.00 H new ATOM 0 HG3 PRO A 7 71.354 -13.222 -4.114 1.00 0.00 H new ATOM 0 HD2 PRO A 7 70.047 -13.666 -1.415 1.00 0.00 H new ATOM 0 HD3 PRO A 7 69.545 -12.600 -2.712 1.00 0.00 H new ATOM 221 N GLU A 15 59.818 -21.081 -0.747 1.00 0.00 N ATOM 222 CA GLU A 15 59.172 -19.790 -1.012 1.00 0.00 C ATOM 223 C GLU A 15 59.820 -18.695 -0.172 1.00 0.00 C ATOM 224 O GLU A 15 60.419 -18.974 0.867 1.00 0.00 O ATOM 225 CB GLU A 15 57.670 -19.854 -0.695 1.00 0.00 C ATOM 226 CG GLU A 15 56.966 -20.799 -1.675 1.00 0.00 C ATOM 227 CD GLU A 15 55.480 -20.872 -1.343 1.00 0.00 C ATOM 228 OE1 GLU A 15 55.058 -20.165 -0.442 1.00 0.00 O ATOM 229 OE2 GLU A 15 54.783 -21.633 -1.994 1.00 0.00 O ATOM 0 HA GLU A 15 59.299 -19.561 -2.070 1.00 0.00 H new ATOM 0 HB2 GLU A 15 57.520 -20.200 0.328 1.00 0.00 H new ATOM 0 HB3 GLU A 15 57.233 -18.857 -0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 15 57.103 -20.446 -2.697 1.00 0.00 H new ATOM 0 HG3 GLU A 15 57.410 -21.793 -1.619 1.00 0.00 H new ATOM 236 N GLY A 16 59.705 -17.442 -0.619 1.00 0.00 N ATOM 237 CA GLY A 16 60.292 -16.326 0.117 1.00 0.00 C ATOM 238 C GLY A 16 59.248 -15.678 1.022 1.00 0.00 C ATOM 239 O GLY A 16 58.323 -15.024 0.538 1.00 0.00 O ATOM 0 H GLY A 16 59.217 -17.179 -1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 16 61.133 -16.678 0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 16 60.685 -15.588 -0.582 1.00 0.00 H new ATOM 243 N GLU A 17 59.403 -15.852 2.339 1.00 0.00 N ATOM 244 CA GLU A 17 58.472 -15.271 3.307 1.00 0.00 C ATOM 245 C GLU A 17 59.221 -14.298 4.208 1.00 0.00 C ATOM 246 O GLU A 17 60.285 -14.622 4.736 1.00 0.00 O ATOM 247 CB GLU A 17 57.844 -16.384 4.147 1.00 0.00 C ATOM 248 CG GLU A 17 56.816 -15.799 5.116 1.00 0.00 C ATOM 249 CD GLU A 17 56.172 -16.924 5.918 1.00 0.00 C ATOM 250 OE1 GLU A 17 56.678 -18.033 5.856 1.00 0.00 O ATOM 251 OE2 GLU A 17 55.177 -16.664 6.575 1.00 0.00 O ATOM 0 H GLU A 17 60.163 -16.389 2.756 1.00 0.00 H new ATOM 0 HA GLU A 17 57.682 -14.736 2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 17 57.365 -17.115 3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.619 -16.912 4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 17 57.298 -15.089 5.788 1.00 0.00 H new ATOM 0 HG3 GLU A 17 56.053 -15.249 4.565 1.00 0.00 H new ATOM 258 N ILE A 18 58.675 -13.099 4.367 1.00 0.00 N ATOM 259 CA ILE A 18 59.320 -12.072 5.189 1.00 0.00 C ATOM 260 C ILE A 18 58.693 -11.981 6.575 1.00 0.00 C ATOM 261 O ILE A 18 57.505 -11.690 6.718 1.00 0.00 O ATOM 262 CB ILE A 18 59.205 -10.716 4.475 1.00 0.00 C ATOM 263 CG1 ILE A 18 60.077 -10.722 3.204 1.00 0.00 C ATOM 264 CG2 ILE A 18 59.647 -9.579 5.402 1.00 0.00 C ATOM 265 CD1 ILE A 18 61.573 -10.527 3.538 1.00 0.00 C ATOM 0 H ILE A 18 57.793 -12.811 3.943 1.00 0.00 H new ATOM 0 HA ILE A 18 60.367 -12.344 5.320 1.00 0.00 H new ATOM 0 HB ILE A 18 58.163 -10.554 4.200 1.00 0.00 H new ATOM 0 HG12 ILE A 18 59.942 -11.665 2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 18 59.747 -9.929 2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 18 59.558 -8.627 4.878 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.013 -9.566 6.289 1.00 0.00 H new ATOM 0 HG23 ILE A 18 60.684 -9.734 5.699 1.00 0.00 H new ATOM 0 HD11 ILE A 18 62.156 -10.537 2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 18 61.711 -9.572 4.045 1.00 0.00 H new ATOM 0 HD13 ILE A 18 61.909 -11.335 4.188 1.00 0.00 H new ATOM 277 N VAL A 19 59.513 -12.211 7.601 1.00 0.00 N ATOM 278 CA VAL A 19 59.047 -12.131 8.979 1.00 0.00 C ATOM 279 C VAL A 19 59.231 -10.712 9.525 1.00 0.00 C ATOM 280 O VAL A 19 58.334 -10.169 10.168 1.00 0.00 O ATOM 281 CB VAL A 19 59.810 -13.137 9.851 1.00 0.00 C ATOM 282 CG1 VAL A 19 61.239 -12.647 10.106 1.00 0.00 C ATOM 283 CG2 VAL A 19 59.083 -13.303 11.188 1.00 0.00 C ATOM 0 H VAL A 19 60.499 -12.453 7.501 1.00 0.00 H new ATOM 0 HA VAL A 19 57.985 -12.376 9.003 1.00 0.00 H new ATOM 0 HB VAL A 19 59.853 -14.094 9.331 1.00 0.00 H new ATOM 0 HG11 VAL A 19 61.767 -13.372 10.726 1.00 0.00 H new ATOM 0 HG12 VAL A 19 61.760 -12.535 9.155 1.00 0.00 H new ATOM 0 HG13 VAL A 19 61.208 -11.685 10.618 1.00 0.00 H new ATOM 0 HG21 VAL A 19 59.623 -14.017 11.810 1.00 0.00 H new ATOM 0 HG22 VAL A 19 59.036 -12.341 11.698 1.00 0.00 H new ATOM 0 HG23 VAL A 19 58.072 -13.669 11.009 1.00 0.00 H new ATOM 293 N ARG A 20 60.407 -10.115 9.286 1.00 0.00 N ATOM 294 CA ARG A 20 60.679 -8.758 9.787 1.00 0.00 C ATOM 295 C ARG A 20 61.600 -7.955 8.860 1.00 0.00 C ATOM 296 O ARG A 20 62.501 -8.504 8.224 1.00 0.00 O ATOM 297 CB ARG A 20 61.343 -8.835 11.168 1.00 0.00 C ATOM 298 CG ARG A 20 60.332 -9.282 12.226 1.00 0.00 C ATOM 299 CD ARG A 20 61.039 -9.368 13.577 1.00 0.00 C ATOM 300 NE ARG A 20 60.108 -9.781 14.622 1.00 0.00 N ATOM 301 CZ ARG A 20 60.525 -9.972 15.869 1.00 0.00 C ATOM 302 NH1 ARG A 20 61.776 -9.762 16.171 1.00 0.00 N ATOM 303 NH2 ARG A 20 59.683 -10.362 16.785 1.00 0.00 N ATOM 0 H ARG A 20 61.172 -10.538 8.760 1.00 0.00 H new ATOM 0 HA ARG A 20 59.716 -8.249 9.838 1.00 0.00 H new ATOM 0 HB2 ARG A 20 62.179 -9.534 11.137 1.00 0.00 H new ATOM 0 HB3 ARG A 20 61.752 -7.861 11.436 1.00 0.00 H new ATOM 0 HG2 ARG A 20 59.503 -8.576 12.278 1.00 0.00 H new ATOM 0 HG3 ARG A 20 59.909 -10.251 11.959 1.00 0.00 H new ATOM 0 HD2 ARG A 20 61.864 -10.078 13.517 1.00 0.00 H new ATOM 0 HD3 ARG A 20 61.470 -8.399 13.830 1.00 0.00 H new ATOM 0 HE ARG A 20 59.125 -9.925 14.392 1.00 0.00 H new ATOM 0 HH11 ARG A 20 62.429 -9.453 15.451 1.00 0.00 H new ATOM 0 HH12 ARG A 20 62.101 -9.907 17.127 1.00 0.00 H new ATOM 0 HH21 ARG A 20 58.705 -10.520 16.544 1.00 0.00 H new ATOM 0 HH22 ARG A 20 60.003 -10.509 17.742 1.00 0.00 H new ATOM 317 N TRP A 21 61.398 -6.631 8.856 1.00 0.00 N ATOM 318 CA TRP A 21 62.238 -5.703 8.085 1.00 0.00 C ATOM 319 C TRP A 21 62.984 -4.810 9.086 1.00 0.00 C ATOM 320 O TRP A 21 62.397 -4.397 10.086 1.00 0.00 O ATOM 321 CB TRP A 21 61.389 -4.785 7.173 1.00 0.00 C ATOM 322 CG TRP A 21 60.925 -5.482 5.928 1.00 0.00 C ATOM 323 CD1 TRP A 21 59.634 -5.770 5.652 1.00 0.00 C ATOM 324 CD2 TRP A 21 61.702 -5.936 4.775 1.00 0.00 C ATOM 325 NE1 TRP A 21 59.566 -6.373 4.409 1.00 0.00 N ATOM 326 CE2 TRP A 21 60.813 -6.505 3.831 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.073 -5.915 4.457 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.268 -7.029 2.615 1.00 0.00 C ATOM 329 CZ3 TRP A 21 63.533 -6.439 3.236 1.00 0.00 C ATOM 330 CH2 TRP A 21 62.634 -6.994 2.318 1.00 0.00 C ATOM 0 H TRP A 21 60.653 -6.175 9.383 1.00 0.00 H new ATOM 0 HA TRP A 21 62.915 -6.283 7.458 1.00 0.00 H new ATOM 0 HB2 TRP A 21 60.523 -4.427 7.729 1.00 0.00 H new ATOM 0 HB3 TRP A 21 61.976 -3.909 6.898 1.00 0.00 H new ATOM 0 HD1 TRP A 21 58.793 -5.563 6.297 1.00 0.00 H new ATOM 0 HE1 TRP A 21 58.698 -6.683 3.972 1.00 0.00 H new ATOM 0 HE3 TRP A 21 63.778 -5.492 5.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 60.569 -7.457 1.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 64.588 -6.413 3.005 1.00 0.00 H new ATOM 0 HH2 TRP A 21 62.995 -7.394 1.382 1.00 0.00 H new ATOM 341 N ASP A 22 64.260 -4.502 8.824 1.00 0.00 N ATOM 342 CA ASP A 22 65.037 -3.638 9.736 1.00 0.00 C ATOM 343 C ASP A 22 65.559 -2.402 9.007 1.00 0.00 C ATOM 344 O ASP A 22 66.390 -1.662 9.534 1.00 0.00 O ATOM 345 CB ASP A 22 66.201 -4.422 10.348 1.00 0.00 C ATOM 346 CG ASP A 22 67.011 -3.522 11.276 1.00 0.00 C ATOM 347 OD1 ASP A 22 66.419 -2.943 12.171 1.00 0.00 O ATOM 348 OD2 ASP A 22 68.212 -3.434 11.083 1.00 0.00 O ATOM 0 H ASP A 22 64.773 -4.828 8.005 1.00 0.00 H new ATOM 0 HA ASP A 22 64.374 -3.307 10.536 1.00 0.00 H new ATOM 0 HB2 ASP A 22 65.820 -5.280 10.902 1.00 0.00 H new ATOM 0 HB3 ASP A 22 66.842 -4.813 9.557 1.00 0.00 H new ATOM 353 N VAL A 23 65.046 -2.166 7.800 1.00 0.00 N ATOM 354 CA VAL A 23 65.444 -0.998 7.009 1.00 0.00 C ATOM 355 C VAL A 23 64.208 -0.207 6.595 1.00 0.00 C ATOM 356 O VAL A 23 63.231 -0.771 6.101 1.00 0.00 O ATOM 357 CB VAL A 23 66.226 -1.432 5.765 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.332 -2.414 6.172 1.00 0.00 C ATOM 359 CG2 VAL A 23 65.281 -2.102 4.760 1.00 0.00 C ATOM 0 H VAL A 23 64.356 -2.765 7.348 1.00 0.00 H new ATOM 0 HA VAL A 23 66.088 -0.366 7.621 1.00 0.00 H new ATOM 0 HB VAL A 23 66.674 -0.555 5.299 1.00 0.00 H new ATOM 0 HG11 VAL A 23 67.888 -2.723 5.287 1.00 0.00 H new ATOM 0 HG12 VAL A 23 68.009 -1.929 6.875 1.00 0.00 H new ATOM 0 HG13 VAL A 23 66.886 -3.289 6.644 1.00 0.00 H new ATOM 0 HG21 VAL A 23 65.845 -2.408 3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 23 64.823 -2.978 5.219 1.00 0.00 H new ATOM 0 HG23 VAL A 23 64.503 -1.397 4.467 1.00 0.00 H new ATOM 369 N LYS A 24 64.253 1.103 6.817 1.00 0.00 N ATOM 370 CA LYS A 24 63.127 1.978 6.485 1.00 0.00 C ATOM 371 C LYS A 24 63.412 2.789 5.226 1.00 0.00 C ATOM 372 O LYS A 24 64.529 3.256 5.008 1.00 0.00 O ATOM 373 CB LYS A 24 62.869 2.935 7.651 1.00 0.00 C ATOM 374 CG LYS A 24 62.433 2.136 8.881 1.00 0.00 C ATOM 375 CD LYS A 24 62.166 3.097 10.040 1.00 0.00 C ATOM 376 CE LYS A 24 61.726 2.305 11.271 1.00 0.00 C ATOM 377 NZ LYS A 24 61.494 3.240 12.410 1.00 0.00 N ATOM 0 H LYS A 24 65.055 1.584 7.225 1.00 0.00 H new ATOM 0 HA LYS A 24 62.251 1.355 6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 24 63.771 3.504 7.875 1.00 0.00 H new ATOM 0 HB3 LYS A 24 62.097 3.655 7.380 1.00 0.00 H new ATOM 0 HG2 LYS A 24 61.535 1.561 8.656 1.00 0.00 H new ATOM 0 HG3 LYS A 24 63.208 1.421 9.158 1.00 0.00 H new ATOM 0 HD2 LYS A 24 63.066 3.669 10.266 1.00 0.00 H new ATOM 0 HD3 LYS A 24 61.394 3.814 9.761 1.00 0.00 H new ATOM 0 HE2 LYS A 24 60.814 1.749 11.052 1.00 0.00 H new ATOM 0 HE3 LYS A 24 62.489 1.573 11.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 61.195 2.700 13.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 62.374 3.751 12.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 60.751 3.922 12.154 1.00 0.00 H new ATOM 391 N GLU A 25 62.379 2.962 4.410 1.00 0.00 N ATOM 392 CA GLU A 25 62.499 3.730 3.177 1.00 0.00 C ATOM 393 C GLU A 25 63.042 5.129 3.458 1.00 0.00 C ATOM 394 O GLU A 25 62.599 5.805 4.386 1.00 0.00 O ATOM 395 CB GLU A 25 61.122 3.840 2.521 1.00 0.00 C ATOM 396 CG GLU A 25 61.235 4.595 1.196 1.00 0.00 C ATOM 397 CD GLU A 25 59.875 4.632 0.506 1.00 0.00 C ATOM 398 OE1 GLU A 25 59.011 3.869 0.905 1.00 0.00 O ATOM 399 OE2 GLU A 25 59.718 5.423 -0.409 1.00 0.00 O ATOM 0 H GLU A 25 61.448 2.581 4.580 1.00 0.00 H new ATOM 0 HA GLU A 25 63.194 3.219 2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 25 60.711 2.845 2.349 1.00 0.00 H new ATOM 0 HB3 GLU A 25 60.433 4.359 3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 25 61.591 5.610 1.374 1.00 0.00 H new ATOM 0 HG3 GLU A 25 61.967 4.109 0.551 1.00 0.00 H new ATOM 406 N GLY A 26 63.988 5.567 2.630 1.00 0.00 N ATOM 407 CA GLY A 26 64.568 6.900 2.779 1.00 0.00 C ATOM 408 C GLY A 26 65.720 6.928 3.782 1.00 0.00 C ATOM 409 O GLY A 26 66.228 8.001 4.105 1.00 0.00 O ATOM 0 H GLY A 26 64.367 5.023 1.855 1.00 0.00 H new ATOM 0 HA2 GLY A 26 64.926 7.247 1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.793 7.596 3.101 1.00 0.00 H new ATOM 413 N ASP A 27 66.129 5.758 4.275 1.00 0.00 N ATOM 414 CA ASP A 27 67.228 5.683 5.250 1.00 0.00 C ATOM 415 C ASP A 27 68.464 5.037 4.628 1.00 0.00 C ATOM 416 O ASP A 27 68.359 4.156 3.775 1.00 0.00 O ATOM 417 CB ASP A 27 66.781 4.876 6.472 1.00 0.00 C ATOM 418 CG ASP A 27 67.852 4.913 7.557 1.00 0.00 C ATOM 419 OD1 ASP A 27 68.871 5.547 7.343 1.00 0.00 O ATOM 420 OD2 ASP A 27 67.635 4.303 8.591 1.00 0.00 O ATOM 0 H ASP A 27 65.724 4.857 4.022 1.00 0.00 H new ATOM 0 HA ASP A 27 67.487 6.696 5.557 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.847 5.281 6.861 1.00 0.00 H new ATOM 0 HB3 ASP A 27 66.585 3.844 6.182 1.00 0.00 H new ATOM 425 N MET A 28 69.636 5.488 5.069 1.00 0.00 N ATOM 426 CA MET A 28 70.906 4.965 4.564 1.00 0.00 C ATOM 427 C MET A 28 71.344 3.740 5.366 1.00 0.00 C ATOM 428 O MET A 28 71.055 3.633 6.558 1.00 0.00 O ATOM 429 CB MET A 28 71.988 6.046 4.660 1.00 0.00 C ATOM 430 CG MET A 28 71.643 7.203 3.720 1.00 0.00 C ATOM 431 SD MET A 28 72.937 8.470 3.811 1.00 0.00 S ATOM 432 CE MET A 28 72.499 9.165 5.426 1.00 0.00 C ATOM 0 H MET A 28 69.734 6.216 5.777 1.00 0.00 H new ATOM 0 HA MET A 28 70.767 4.673 3.523 1.00 0.00 H new ATOM 0 HB2 MET A 28 72.065 6.408 5.685 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.959 5.627 4.396 1.00 0.00 H new ATOM 0 HG2 MET A 28 71.549 6.838 2.697 1.00 0.00 H new ATOM 0 HG3 MET A 28 70.680 7.633 3.995 1.00 0.00 H new ATOM 0 HE1 MET A 28 72.911 10.170 5.513 1.00 0.00 H new ATOM 0 HE2 MET A 28 71.414 9.208 5.522 1.00 0.00 H new ATOM 0 HE3 MET A 28 72.908 8.536 6.216 1.00 0.00 H new ATOM 442 N VAL A 29 72.056 2.819 4.710 1.00 0.00 N ATOM 443 CA VAL A 29 72.544 1.604 5.381 1.00 0.00 C ATOM 444 C VAL A 29 74.003 1.335 5.005 1.00 0.00 C ATOM 445 O VAL A 29 74.390 1.470 3.844 1.00 0.00 O ATOM 446 CB VAL A 29 71.664 0.387 5.014 1.00 0.00 C ATOM 447 CG1 VAL A 29 72.010 -0.140 3.613 1.00 0.00 C ATOM 448 CG2 VAL A 29 71.880 -0.733 6.036 1.00 0.00 C ATOM 0 H VAL A 29 72.307 2.887 3.724 1.00 0.00 H new ATOM 0 HA VAL A 29 72.484 1.761 6.458 1.00 0.00 H new ATOM 0 HB VAL A 29 70.622 0.707 5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 29 71.377 -0.996 3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 29 71.843 0.646 2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 29 73.056 -0.445 3.587 1.00 0.00 H new ATOM 0 HG21 VAL A 29 71.258 -1.589 5.774 1.00 0.00 H new ATOM 0 HG22 VAL A 29 72.928 -1.031 6.033 1.00 0.00 H new ATOM 0 HG23 VAL A 29 71.607 -0.377 7.029 1.00 0.00 H new ATOM 458 N GLU A 30 74.803 0.955 5.998 1.00 0.00 N ATOM 459 CA GLU A 30 76.221 0.665 5.775 1.00 0.00 C ATOM 460 C GLU A 30 76.428 -0.810 5.433 1.00 0.00 C ATOM 461 O GLU A 30 75.581 -1.651 5.739 1.00 0.00 O ATOM 462 CB GLU A 30 77.021 1.020 7.032 1.00 0.00 C ATOM 463 CG GLU A 30 77.044 2.539 7.210 1.00 0.00 C ATOM 464 CD GLU A 30 77.754 2.899 8.511 1.00 0.00 C ATOM 465 OE1 GLU A 30 78.154 1.988 9.216 1.00 0.00 O ATOM 466 OE2 GLU A 30 77.881 4.080 8.787 1.00 0.00 O ATOM 0 H GLU A 30 74.496 0.840 6.964 1.00 0.00 H new ATOM 0 HA GLU A 30 76.569 1.266 4.935 1.00 0.00 H new ATOM 0 HB2 GLU A 30 76.573 0.547 7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 30 78.038 0.637 6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 30 77.554 3.005 6.367 1.00 0.00 H new ATOM 0 HG3 GLU A 30 76.026 2.928 7.222 1.00 0.00 H new ATOM 473 N LYS A 31 77.558 -1.115 4.795 1.00 0.00 N ATOM 474 CA LYS A 31 77.875 -2.487 4.413 1.00 0.00 C ATOM 475 C LYS A 31 78.052 -3.358 5.654 1.00 0.00 C ATOM 476 O LYS A 31 78.659 -2.933 6.636 1.00 0.00 O ATOM 477 CB LYS A 31 79.163 -2.502 3.576 1.00 0.00 C ATOM 478 CG LYS A 31 79.502 -3.927 3.131 1.00 0.00 C ATOM 479 CD LYS A 31 80.761 -3.896 2.261 1.00 0.00 C ATOM 480 CE LYS A 31 81.099 -5.315 1.799 1.00 0.00 C ATOM 481 NZ LYS A 31 82.341 -5.286 0.976 1.00 0.00 N ATOM 0 H LYS A 31 78.267 -0.430 4.533 1.00 0.00 H new ATOM 0 HA LYS A 31 77.052 -2.889 3.822 1.00 0.00 H new ATOM 0 HB2 LYS A 31 79.042 -1.862 2.702 1.00 0.00 H new ATOM 0 HB3 LYS A 31 79.987 -2.092 4.160 1.00 0.00 H new ATOM 0 HG2 LYS A 31 79.662 -4.564 4.001 1.00 0.00 H new ATOM 0 HG3 LYS A 31 78.669 -4.354 2.572 1.00 0.00 H new ATOM 0 HD2 LYS A 31 80.603 -3.249 1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 31 81.595 -3.478 2.825 1.00 0.00 H new ATOM 0 HE2 LYS A 31 81.237 -5.967 2.662 1.00 0.00 H new ATOM 0 HE3 LYS A 31 80.274 -5.726 1.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 82.572 -6.250 0.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 82.193 -4.677 0.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 83.126 -4.911 1.545 1.00 0.00 H new ATOM 495 N ASP A 32 77.512 -4.573 5.603 1.00 0.00 N ATOM 496 CA ASP A 32 77.611 -5.500 6.727 1.00 0.00 C ATOM 497 C ASP A 32 76.994 -4.899 7.991 1.00 0.00 C ATOM 498 O ASP A 32 77.498 -5.106 9.096 1.00 0.00 O ATOM 499 CB ASP A 32 79.075 -5.868 6.991 1.00 0.00 C ATOM 500 CG ASP A 32 79.600 -6.752 5.865 1.00 0.00 C ATOM 501 OD1 ASP A 32 78.787 -7.264 5.112 1.00 0.00 O ATOM 502 OD2 ASP A 32 80.806 -6.907 5.774 1.00 0.00 O ATOM 0 H ASP A 32 77.003 -4.938 4.798 1.00 0.00 H new ATOM 0 HA ASP A 32 77.057 -6.401 6.465 1.00 0.00 H new ATOM 0 HB2 ASP A 32 79.678 -4.963 7.066 1.00 0.00 H new ATOM 0 HB3 ASP A 32 79.162 -6.389 7.944 1.00 0.00 H new ATOM 507 N GLN A 33 75.899 -4.154 7.827 1.00 0.00 N ATOM 508 CA GLN A 33 75.219 -3.530 8.961 1.00 0.00 C ATOM 509 C GLN A 33 73.706 -3.525 8.741 1.00 0.00 C ATOM 510 O GLN A 33 73.154 -2.550 8.234 1.00 0.00 O ATOM 511 CB GLN A 33 75.720 -2.092 9.123 1.00 0.00 C ATOM 512 CG GLN A 33 75.323 -1.549 10.497 1.00 0.00 C ATOM 513 CD GLN A 33 73.817 -1.318 10.558 1.00 0.00 C ATOM 514 OE1 GLN A 33 73.083 -2.139 11.107 1.00 0.00 O ATOM 515 NE2 GLN A 33 73.310 -0.240 10.023 1.00 0.00 N ATOM 0 H GLN A 33 75.466 -3.969 6.922 1.00 0.00 H new ATOM 0 HA GLN A 33 75.438 -4.101 9.863 1.00 0.00 H new ATOM 0 HB2 GLN A 33 76.804 -2.061 9.010 1.00 0.00 H new ATOM 0 HB3 GLN A 33 75.300 -1.462 8.339 1.00 0.00 H new ATOM 0 HG2 GLN A 33 75.622 -2.252 11.274 1.00 0.00 H new ATOM 0 HG3 GLN A 33 75.850 -0.615 10.693 1.00 0.00 H new ATOM 0 HE21 GLN A 33 73.920 0.439 9.568 1.00 0.00 H new ATOM 0 HE22 GLN A 33 72.304 -0.077 10.060 1.00 0.00 H new ATOM 524 N ASP A 34 73.036 -4.610 9.138 1.00 0.00 N ATOM 525 CA ASP A 34 71.589 -4.698 8.983 1.00 0.00 C ATOM 526 C ASP A 34 71.055 -5.949 9.670 1.00 0.00 C ATOM 527 O ASP A 34 71.821 -6.840 10.039 1.00 0.00 O ATOM 528 CB ASP A 34 71.209 -4.721 7.499 1.00 0.00 C ATOM 529 CG ASP A 34 69.702 -4.546 7.351 1.00 0.00 C ATOM 530 OD1 ASP A 34 69.105 -3.966 8.243 1.00 0.00 O ATOM 531 OD2 ASP A 34 69.168 -4.983 6.346 1.00 0.00 O ATOM 0 H ASP A 34 73.470 -5.429 9.564 1.00 0.00 H new ATOM 0 HA ASP A 34 71.143 -3.820 9.449 1.00 0.00 H new ATOM 0 HB2 ASP A 34 71.731 -3.925 6.968 1.00 0.00 H new ATOM 0 HB3 ASP A 34 71.521 -5.663 7.048 1.00 0.00 H new ATOM 536 N LEU A 35 69.736 -6.012 9.833 1.00 0.00 N ATOM 537 CA LEU A 35 69.098 -7.166 10.472 1.00 0.00 C ATOM 538 C LEU A 35 67.861 -7.580 9.690 1.00 0.00 C ATOM 539 O LEU A 35 66.752 -7.131 9.968 1.00 0.00 O ATOM 540 CB LEU A 35 68.712 -6.835 11.917 1.00 0.00 C ATOM 541 CG LEU A 35 69.978 -6.653 12.769 1.00 0.00 C ATOM 542 CD1 LEU A 35 69.594 -6.026 14.114 1.00 0.00 C ATOM 543 CD2 LEU A 35 70.668 -8.013 13.016 1.00 0.00 C ATOM 0 H LEU A 35 69.088 -5.283 9.534 1.00 0.00 H new ATOM 0 HA LEU A 35 69.809 -7.992 10.480 1.00 0.00 H new ATOM 0 HB2 LEU A 35 68.112 -5.925 11.943 1.00 0.00 H new ATOM 0 HB3 LEU A 35 68.097 -7.634 12.330 1.00 0.00 H new ATOM 0 HG LEU A 35 70.671 -6.002 12.236 1.00 0.00 H new ATOM 0 HD11 LEU A 35 70.489 -5.895 14.723 1.00 0.00 H new ATOM 0 HD12 LEU A 35 69.126 -5.057 13.943 1.00 0.00 H new ATOM 0 HD13 LEU A 35 68.894 -6.680 14.634 1.00 0.00 H new ATOM 0 HD21 LEU A 35 71.562 -7.863 13.621 1.00 0.00 H new ATOM 0 HD22 LEU A 35 69.983 -8.679 13.541 1.00 0.00 H new ATOM 0 HD23 LEU A 35 70.947 -8.458 12.061 1.00 0.00 H new ATOM 555 N VAL A 36 68.069 -8.451 8.711 1.00 0.00 N ATOM 556 CA VAL A 36 66.978 -8.954 7.869 1.00 0.00 C ATOM 557 C VAL A 36 66.840 -10.461 8.060 1.00 0.00 C ATOM 558 O VAL A 36 67.813 -11.207 7.946 1.00 0.00 O ATOM 559 CB VAL A 36 67.248 -8.591 6.381 1.00 0.00 C ATOM 560 CG1 VAL A 36 68.755 -8.415 6.161 1.00 0.00 C ATOM 561 CG2 VAL A 36 66.742 -9.705 5.445 1.00 0.00 C ATOM 0 H VAL A 36 68.987 -8.829 8.475 1.00 0.00 H new ATOM 0 HA VAL A 36 66.038 -8.486 8.162 1.00 0.00 H new ATOM 0 HB VAL A 36 66.719 -7.665 6.155 1.00 0.00 H new ATOM 0 HG11 VAL A 36 68.943 -8.161 5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 36 69.125 -7.615 6.802 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.269 -9.344 6.406 1.00 0.00 H new ATOM 0 HG21 VAL A 36 66.942 -9.429 4.410 1.00 0.00 H new ATOM 0 HG22 VAL A 36 67.257 -10.637 5.678 1.00 0.00 H new ATOM 0 HG23 VAL A 36 65.669 -9.838 5.585 1.00 0.00 H new ATOM 571 N GLU A 37 65.615 -10.898 8.343 1.00 0.00 N ATOM 572 CA GLU A 37 65.337 -12.320 8.545 1.00 0.00 C ATOM 573 C GLU A 37 64.369 -12.832 7.485 1.00 0.00 C ATOM 574 O GLU A 37 63.226 -12.384 7.405 1.00 0.00 O ATOM 575 CB GLU A 37 64.734 -12.542 9.933 1.00 0.00 C ATOM 576 CG GLU A 37 65.787 -12.225 10.996 1.00 0.00 C ATOM 577 CD GLU A 37 65.189 -12.369 12.391 1.00 0.00 C ATOM 578 OE1 GLU A 37 64.030 -12.738 12.484 1.00 0.00 O ATOM 579 OE2 GLU A 37 65.900 -12.105 13.348 1.00 0.00 O ATOM 0 H GLU A 37 64.801 -10.291 8.438 1.00 0.00 H new ATOM 0 HA GLU A 37 66.275 -12.869 8.462 1.00 0.00 H new ATOM 0 HB2 GLU A 37 63.860 -11.905 10.069 1.00 0.00 H new ATOM 0 HB3 GLU A 37 64.396 -13.573 10.035 1.00 0.00 H new ATOM 0 HG2 GLU A 37 66.638 -12.897 10.886 1.00 0.00 H new ATOM 0 HG3 GLU A 37 66.161 -11.211 10.856 1.00 0.00 H new ATOM 586 N VAL A 38 64.836 -13.790 6.684 1.00 0.00 N ATOM 587 CA VAL A 38 64.014 -14.392 5.638 1.00 0.00 C ATOM 588 C VAL A 38 63.677 -15.825 6.040 1.00 0.00 C ATOM 589 O VAL A 38 64.559 -16.599 6.426 1.00 0.00 O ATOM 590 CB VAL A 38 64.766 -14.375 4.297 1.00 0.00 C ATOM 591 CG1 VAL A 38 64.952 -12.932 3.824 1.00 0.00 C ATOM 592 CG2 VAL A 38 66.140 -15.026 4.460 1.00 0.00 C ATOM 0 H VAL A 38 65.783 -14.166 6.741 1.00 0.00 H new ATOM 0 HA VAL A 38 63.093 -13.821 5.519 1.00 0.00 H new ATOM 0 HB VAL A 38 64.183 -14.931 3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 38 65.485 -12.927 2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 38 63.977 -12.463 3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 38 65.527 -12.377 4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 38 66.666 -15.010 3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 38 66.718 -14.475 5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 38 66.017 -16.058 4.789 1.00 0.00 H new ATOM 602 N MET A 39 62.388 -16.158 5.979 1.00 0.00 N ATOM 603 CA MET A 39 61.906 -17.488 6.361 1.00 0.00 C ATOM 604 C MET A 39 61.280 -18.197 5.165 1.00 0.00 C ATOM 605 O MET A 39 60.814 -17.557 4.223 1.00 0.00 O ATOM 606 CB MET A 39 60.867 -17.353 7.479 1.00 0.00 C ATOM 607 CG MET A 39 60.446 -18.742 7.967 1.00 0.00 C ATOM 608 SD MET A 39 59.318 -18.571 9.373 1.00 0.00 S ATOM 609 CE MET A 39 57.788 -18.386 8.425 1.00 0.00 C ATOM 0 H MET A 39 61.654 -15.522 5.667 1.00 0.00 H new ATOM 0 HA MET A 39 62.752 -18.079 6.712 1.00 0.00 H new ATOM 0 HB2 MET A 39 61.282 -16.777 8.306 1.00 0.00 H new ATOM 0 HB3 MET A 39 59.997 -16.806 7.115 1.00 0.00 H new ATOM 0 HG2 MET A 39 59.959 -19.290 7.161 1.00 0.00 H new ATOM 0 HG3 MET A 39 61.324 -19.318 8.259 1.00 0.00 H new ATOM 0 HE1 MET A 39 56.933 -18.443 9.099 1.00 0.00 H new ATOM 0 HE2 MET A 39 57.788 -17.420 7.919 1.00 0.00 H new ATOM 0 HE3 MET A 39 57.720 -19.183 7.685 1.00 0.00 H new ATOM 619 N THR A 40 61.281 -19.527 5.217 1.00 0.00 N ATOM 620 CA THR A 40 60.722 -20.351 4.146 1.00 0.00 C ATOM 621 C THR A 40 59.971 -21.538 4.743 1.00 0.00 C ATOM 622 O THR A 40 58.760 -21.482 4.957 1.00 0.00 O ATOM 623 CB THR A 40 61.860 -20.864 3.252 1.00 0.00 C ATOM 624 OG1 THR A 40 61.494 -22.115 2.688 1.00 0.00 O ATOM 625 CG2 THR A 40 63.144 -21.032 4.083 1.00 0.00 C ATOM 0 H THR A 40 61.666 -20.061 5.996 1.00 0.00 H new ATOM 0 HA THR A 40 60.031 -19.751 3.554 1.00 0.00 H new ATOM 0 HB THR A 40 62.041 -20.143 2.455 1.00 0.00 H new ATOM 0 HG1 THR A 40 62.220 -22.441 2.116 1.00 0.00 H new ATOM 0 HG21 THR A 40 63.947 -21.396 3.442 1.00 0.00 H new ATOM 0 HG22 THR A 40 63.429 -20.071 4.511 1.00 0.00 H new ATOM 0 HG23 THR A 40 62.967 -21.748 4.885 1.00 0.00 H new ATOM 633 N ASP A 41 60.707 -22.611 5.017 1.00 0.00 N ATOM 634 CA ASP A 41 60.117 -23.821 5.602 1.00 0.00 C ATOM 635 C ASP A 41 60.258 -23.798 7.126 1.00 0.00 C ATOM 636 O ASP A 41 60.769 -24.748 7.715 1.00 0.00 O ATOM 637 CB ASP A 41 60.829 -25.056 5.044 1.00 0.00 C ATOM 638 CG ASP A 41 60.152 -26.323 5.555 1.00 0.00 C ATOM 639 OD1 ASP A 41 59.255 -26.203 6.373 1.00 0.00 O ATOM 640 OD2 ASP A 41 60.536 -27.393 5.115 1.00 0.00 O ATOM 0 H ASP A 41 61.711 -22.672 4.846 1.00 0.00 H new ATOM 0 HA ASP A 41 59.058 -23.857 5.345 1.00 0.00 H new ATOM 0 HB2 ASP A 41 60.808 -25.037 3.954 1.00 0.00 H new ATOM 0 HB3 ASP A 41 61.877 -25.048 5.343 1.00 0.00 H new ATOM 645 N LYS A 42 59.811 -22.703 7.755 1.00 0.00 N ATOM 646 CA LYS A 42 59.902 -22.564 9.207 1.00 0.00 C ATOM 647 C LYS A 42 61.356 -22.631 9.669 1.00 0.00 C ATOM 648 O LYS A 42 61.678 -23.290 10.657 1.00 0.00 O ATOM 649 CB LYS A 42 59.079 -23.650 9.910 1.00 0.00 C ATOM 650 CG LYS A 42 57.591 -23.419 9.638 1.00 0.00 C ATOM 651 CD LYS A 42 56.777 -24.524 10.313 1.00 0.00 C ATOM 652 CE LYS A 42 55.287 -24.301 10.045 1.00 0.00 C ATOM 653 NZ LYS A 42 54.501 -25.377 10.709 1.00 0.00 N ATOM 0 H LYS A 42 59.386 -21.907 7.281 1.00 0.00 H new ATOM 0 HA LYS A 42 59.496 -21.589 9.475 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.376 -24.636 9.552 1.00 0.00 H new ATOM 0 HB3 LYS A 42 59.271 -23.629 10.983 1.00 0.00 H new ATOM 0 HG2 LYS A 42 57.287 -22.444 10.018 1.00 0.00 H new ATOM 0 HG3 LYS A 42 57.402 -23.416 8.565 1.00 0.00 H new ATOM 0 HD2 LYS A 42 57.083 -25.499 9.933 1.00 0.00 H new ATOM 0 HD3 LYS A 42 56.967 -24.526 11.386 1.00 0.00 H new ATOM 0 HE2 LYS A 42 54.980 -23.325 10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 42 55.094 -24.303 8.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 53.488 -25.228 10.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 54.788 -26.302 10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 54.677 -25.354 11.734 1.00 0.00 H new ATOM 667 N VAL A 43 62.226 -21.925 8.945 1.00 0.00 N ATOM 668 CA VAL A 43 63.654 -21.876 9.267 1.00 0.00 C ATOM 669 C VAL A 43 64.125 -20.427 9.300 1.00 0.00 C ATOM 670 O VAL A 43 63.748 -19.625 8.445 1.00 0.00 O ATOM 671 CB VAL A 43 64.464 -22.636 8.218 1.00 0.00 C ATOM 672 CG1 VAL A 43 65.946 -22.592 8.590 1.00 0.00 C ATOM 673 CG2 VAL A 43 63.998 -24.090 8.161 1.00 0.00 C ATOM 0 H VAL A 43 61.965 -21.376 8.126 1.00 0.00 H new ATOM 0 HA VAL A 43 63.804 -22.339 10.242 1.00 0.00 H new ATOM 0 HB VAL A 43 64.317 -22.171 7.243 1.00 0.00 H new ATOM 0 HG11 VAL A 43 66.525 -23.134 7.842 1.00 0.00 H new ATOM 0 HG12 VAL A 43 66.281 -21.555 8.627 1.00 0.00 H new ATOM 0 HG13 VAL A 43 66.090 -23.055 9.566 1.00 0.00 H new ATOM 0 HG21 VAL A 43 64.578 -24.629 7.412 1.00 0.00 H new ATOM 0 HG22 VAL A 43 64.142 -24.557 9.136 1.00 0.00 H new ATOM 0 HG23 VAL A 43 62.941 -24.123 7.895 1.00 0.00 H new ATOM 683 N THR A 44 64.954 -20.099 10.284 1.00 0.00 N ATOM 684 CA THR A 44 65.477 -18.735 10.421 1.00 0.00 C ATOM 685 C THR A 44 66.841 -18.623 9.746 1.00 0.00 C ATOM 686 O THR A 44 67.797 -19.292 10.139 1.00 0.00 O ATOM 687 CB THR A 44 65.619 -18.383 11.909 1.00 0.00 C ATOM 688 OG1 THR A 44 64.489 -18.877 12.615 1.00 0.00 O ATOM 689 CG2 THR A 44 65.703 -16.866 12.095 1.00 0.00 C ATOM 0 H THR A 44 65.280 -20.751 10.998 1.00 0.00 H new ATOM 0 HA THR A 44 64.783 -18.044 9.943 1.00 0.00 H new ATOM 0 HB THR A 44 66.532 -18.837 12.294 1.00 0.00 H new ATOM 0 HG1 THR A 44 64.575 -18.656 13.566 1.00 0.00 H new ATOM 0 HG21 THR A 44 65.803 -16.634 13.155 1.00 0.00 H new ATOM 0 HG22 THR A 44 66.569 -16.481 11.556 1.00 0.00 H new ATOM 0 HG23 THR A 44 64.797 -16.401 11.706 1.00 0.00 H new ATOM 697 N VAL A 45 66.923 -17.767 8.732 1.00 0.00 N ATOM 698 CA VAL A 45 68.177 -17.554 7.993 1.00 0.00 C ATOM 699 C VAL A 45 68.546 -16.069 7.998 1.00 0.00 C ATOM 700 O VAL A 45 67.810 -15.237 7.470 1.00 0.00 O ATOM 701 CB VAL A 45 67.999 -18.043 6.546 1.00 0.00 C ATOM 702 CG1 VAL A 45 69.353 -18.371 5.900 1.00 0.00 C ATOM 703 CG2 VAL A 45 67.125 -19.298 6.541 1.00 0.00 C ATOM 0 H VAL A 45 66.139 -17.206 8.398 1.00 0.00 H new ATOM 0 HA VAL A 45 68.979 -18.114 8.473 1.00 0.00 H new ATOM 0 HB VAL A 45 67.526 -17.247 5.971 1.00 0.00 H new ATOM 0 HG11 VAL A 45 69.195 -18.714 4.878 1.00 0.00 H new ATOM 0 HG12 VAL A 45 69.978 -17.478 5.890 1.00 0.00 H new ATOM 0 HG13 VAL A 45 69.849 -19.154 6.473 1.00 0.00 H new ATOM 0 HG21 VAL A 45 66.996 -19.648 5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 45 67.604 -20.078 7.133 1.00 0.00 H new ATOM 0 HG23 VAL A 45 66.150 -19.064 6.970 1.00 0.00 H new ATOM 713 N LYS A 46 69.692 -15.740 8.597 1.00 0.00 N ATOM 714 CA LYS A 46 70.145 -14.349 8.661 1.00 0.00 C ATOM 715 C LYS A 46 71.067 -14.034 7.488 1.00 0.00 C ATOM 716 O LYS A 46 72.030 -14.756 7.230 1.00 0.00 O ATOM 717 CB LYS A 46 70.894 -14.104 9.973 1.00 0.00 C ATOM 718 CG LYS A 46 71.143 -12.600 10.136 1.00 0.00 C ATOM 719 CD LYS A 46 71.908 -12.321 11.436 1.00 0.00 C ATOM 720 CE LYS A 46 70.960 -12.371 12.640 1.00 0.00 C ATOM 721 NZ LYS A 46 71.688 -11.918 13.860 1.00 0.00 N ATOM 0 H LYS A 46 70.319 -16.411 9.041 1.00 0.00 H new ATOM 0 HA LYS A 46 69.271 -13.699 8.612 1.00 0.00 H new ATOM 0 HB2 LYS A 46 70.313 -14.482 10.814 1.00 0.00 H new ATOM 0 HB3 LYS A 46 71.841 -14.644 9.972 1.00 0.00 H new ATOM 0 HG2 LYS A 46 71.711 -12.225 9.285 1.00 0.00 H new ATOM 0 HG3 LYS A 46 70.192 -12.067 10.145 1.00 0.00 H new ATOM 0 HD2 LYS A 46 72.703 -13.056 11.561 1.00 0.00 H new ATOM 0 HD3 LYS A 46 72.384 -11.342 11.381 1.00 0.00 H new ATOM 0 HE2 LYS A 46 70.094 -11.734 12.462 1.00 0.00 H new ATOM 0 HE3 LYS A 46 70.586 -13.385 12.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 71.047 -11.951 14.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 72.501 -12.543 14.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 72.024 -10.943 13.722 1.00 0.00 H new ATOM 735 N ILE A 47 70.765 -12.945 6.777 1.00 0.00 N ATOM 736 CA ILE A 47 71.564 -12.523 5.622 1.00 0.00 C ATOM 737 C ILE A 47 71.762 -10.999 5.634 1.00 0.00 C ATOM 738 O ILE A 47 70.947 -10.265 5.074 1.00 0.00 O ATOM 739 CB ILE A 47 70.864 -12.930 4.318 1.00 0.00 C ATOM 740 CG1 ILE A 47 70.770 -14.460 4.244 1.00 0.00 C ATOM 741 CG2 ILE A 47 71.684 -12.413 3.130 1.00 0.00 C ATOM 742 CD1 ILE A 47 69.919 -14.867 3.040 1.00 0.00 C ATOM 0 H ILE A 47 69.971 -12.338 6.981 1.00 0.00 H new ATOM 0 HA ILE A 47 72.536 -13.012 5.682 1.00 0.00 H new ATOM 0 HB ILE A 47 69.861 -12.504 4.289 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.767 -14.891 4.159 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.330 -14.852 5.161 1.00 0.00 H new ATOM 0 HG21 ILE A 47 71.194 -12.697 2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 47 71.758 -11.327 3.184 1.00 0.00 H new ATOM 0 HG23 ILE A 47 72.684 -12.847 3.162 1.00 0.00 H new ATOM 0 HD11 ILE A 47 69.855 -15.954 2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 47 68.918 -14.448 3.144 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.377 -14.489 2.126 1.00 0.00 H new ATOM 754 N PRO A 48 72.811 -10.510 6.256 1.00 0.00 N ATOM 755 CA PRO A 48 73.094 -9.035 6.327 1.00 0.00 C ATOM 756 C PRO A 48 73.214 -8.393 4.934 1.00 0.00 C ATOM 757 O PRO A 48 73.709 -9.018 3.999 1.00 0.00 O ATOM 758 CB PRO A 48 74.431 -8.963 7.096 1.00 0.00 C ATOM 759 CG PRO A 48 74.530 -10.254 7.840 1.00 0.00 C ATOM 760 CD PRO A 48 73.827 -11.292 6.972 1.00 0.00 C ATOM 0 HA PRO A 48 72.288 -8.484 6.812 1.00 0.00 H new ATOM 0 HB2 PRO A 48 75.271 -8.838 6.413 1.00 0.00 H new ATOM 0 HB3 PRO A 48 74.446 -8.114 7.779 1.00 0.00 H new ATOM 0 HG2 PRO A 48 75.571 -10.528 8.010 1.00 0.00 H new ATOM 0 HG3 PRO A 48 74.056 -10.178 8.819 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.520 -11.775 6.283 1.00 0.00 H new ATOM 0 HD3 PRO A 48 73.376 -12.080 7.575 1.00 0.00 H new ATOM 768 N SER A 49 72.747 -7.145 4.809 1.00 0.00 N ATOM 769 CA SER A 49 72.796 -6.432 3.527 1.00 0.00 C ATOM 770 C SER A 49 74.214 -6.482 2.927 1.00 0.00 C ATOM 771 O SER A 49 75.121 -5.842 3.461 1.00 0.00 O ATOM 772 CB SER A 49 72.392 -4.970 3.736 1.00 0.00 C ATOM 773 OG SER A 49 70.989 -4.896 3.956 1.00 0.00 O ATOM 0 H SER A 49 72.334 -6.611 5.574 1.00 0.00 H new ATOM 0 HA SER A 49 72.104 -6.917 2.838 1.00 0.00 H new ATOM 0 HB2 SER A 49 72.928 -4.551 4.588 1.00 0.00 H new ATOM 0 HB3 SER A 49 72.667 -4.377 2.864 1.00 0.00 H new ATOM 0 HG SER A 49 70.796 -5.080 4.899 1.00 0.00 H new ATOM 779 N PRO A 50 74.447 -7.229 1.862 1.00 0.00 N ATOM 780 CA PRO A 50 75.815 -7.330 1.256 1.00 0.00 C ATOM 781 C PRO A 50 76.274 -6.084 0.467 1.00 0.00 C ATOM 782 O PRO A 50 77.460 -5.960 0.160 1.00 0.00 O ATOM 783 CB PRO A 50 75.714 -8.569 0.348 1.00 0.00 C ATOM 784 CG PRO A 50 74.269 -8.667 -0.034 1.00 0.00 C ATOM 785 CD PRO A 50 73.460 -8.063 1.124 1.00 0.00 C ATOM 0 HA PRO A 50 76.575 -7.407 2.034 1.00 0.00 H new ATOM 0 HB2 PRO A 50 76.347 -8.463 -0.533 1.00 0.00 H new ATOM 0 HB3 PRO A 50 76.044 -9.467 0.871 1.00 0.00 H new ATOM 0 HG2 PRO A 50 74.077 -8.128 -0.962 1.00 0.00 H new ATOM 0 HG3 PRO A 50 73.984 -9.705 -0.204 1.00 0.00 H new ATOM 0 HD2 PRO A 50 72.627 -7.463 0.758 1.00 0.00 H new ATOM 0 HD3 PRO A 50 73.038 -8.839 1.762 1.00 0.00 H new ATOM 793 N VAL A 51 75.351 -5.174 0.116 1.00 0.00 N ATOM 794 CA VAL A 51 75.719 -3.969 -0.658 1.00 0.00 C ATOM 795 C VAL A 51 75.169 -2.687 -0.013 1.00 0.00 C ATOM 796 O VAL A 51 73.965 -2.569 0.211 1.00 0.00 O ATOM 797 CB VAL A 51 75.169 -4.102 -2.095 1.00 0.00 C ATOM 798 CG1 VAL A 51 75.901 -3.133 -3.035 1.00 0.00 C ATOM 799 CG2 VAL A 51 75.377 -5.538 -2.589 1.00 0.00 C ATOM 0 H VAL A 51 74.360 -5.243 0.349 1.00 0.00 H new ATOM 0 HA VAL A 51 76.806 -3.893 -0.672 1.00 0.00 H new ATOM 0 HB VAL A 51 74.106 -3.861 -2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 51 75.504 -3.236 -4.045 1.00 0.00 H new ATOM 0 HG12 VAL A 51 75.753 -2.110 -2.690 1.00 0.00 H new ATOM 0 HG13 VAL A 51 76.966 -3.364 -3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 51 74.989 -5.634 -3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 51 76.441 -5.774 -2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 51 74.849 -6.229 -1.932 1.00 0.00 H new ATOM 809 N ARG A 52 76.057 -1.717 0.277 1.00 0.00 N ATOM 810 CA ARG A 52 75.634 -0.450 0.885 1.00 0.00 C ATOM 811 C ARG A 52 75.267 0.580 -0.186 1.00 0.00 C ATOM 812 O ARG A 52 75.839 0.584 -1.276 1.00 0.00 O ATOM 813 CB ARG A 52 76.764 0.111 1.768 1.00 0.00 C ATOM 814 CG ARG A 52 78.001 0.436 0.917 1.00 0.00 C ATOM 815 CD ARG A 52 79.073 1.084 1.797 1.00 0.00 C ATOM 816 NE ARG A 52 80.249 1.411 1.001 1.00 0.00 N ATOM 817 CZ ARG A 52 81.423 1.649 1.577 1.00 0.00 C ATOM 818 NH1 ARG A 52 81.547 1.536 2.872 1.00 0.00 N ATOM 819 NH2 ARG A 52 82.452 1.988 0.850 1.00 0.00 N ATOM 0 H ARG A 52 77.059 -1.788 0.101 1.00 0.00 H new ATOM 0 HA ARG A 52 74.752 -0.646 1.495 1.00 0.00 H new ATOM 0 HB2 ARG A 52 76.421 1.010 2.280 1.00 0.00 H new ATOM 0 HB3 ARG A 52 77.026 -0.614 2.538 1.00 0.00 H new ATOM 0 HG2 ARG A 52 78.391 -0.474 0.462 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.729 1.108 0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 52 78.676 1.987 2.260 1.00 0.00 H new ATOM 0 HD3 ARG A 52 79.349 0.406 2.605 1.00 0.00 H new ATOM 0 HE ARG A 52 80.170 1.458 -0.015 1.00 0.00 H new ATOM 0 HH11 ARG A 52 80.744 1.266 3.440 1.00 0.00 H new ATOM 0 HH12 ARG A 52 82.447 1.718 3.316 1.00 0.00 H new ATOM 0 HH21 ARG A 52 82.356 2.071 -0.162 1.00 0.00 H new ATOM 0 HH22 ARG A 52 83.352 2.170 1.294 1.00 0.00 H new ATOM 833 N GLY A 53 74.323 1.463 0.134 1.00 0.00 N ATOM 834 CA GLY A 53 73.912 2.497 -0.812 1.00 0.00 C ATOM 835 C GLY A 53 72.678 3.249 -0.312 1.00 0.00 C ATOM 836 O GLY A 53 72.584 3.577 0.870 1.00 0.00 O ATOM 0 H GLY A 53 73.834 1.484 1.029 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.731 3.199 -0.965 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.697 2.043 -1.779 1.00 0.00 H new ATOM 840 N LYS A 54 71.734 3.530 -1.220 1.00 0.00 N ATOM 841 CA LYS A 54 70.510 4.259 -0.855 1.00 0.00 C ATOM 842 C LYS A 54 69.267 3.446 -1.192 1.00 0.00 C ATOM 843 O LYS A 54 69.224 2.744 -2.203 1.00 0.00 O ATOM 844 CB LYS A 54 70.462 5.595 -1.611 1.00 0.00 C ATOM 845 CG LYS A 54 71.556 6.525 -1.084 1.00 0.00 C ATOM 846 CD LYS A 54 71.535 7.828 -1.886 1.00 0.00 C ATOM 847 CE LYS A 54 72.598 8.780 -1.337 1.00 0.00 C ATOM 848 NZ LYS A 54 72.588 10.051 -2.118 1.00 0.00 N ATOM 0 H LYS A 54 71.792 3.267 -2.204 1.00 0.00 H new ATOM 0 HA LYS A 54 70.527 4.437 0.220 1.00 0.00 H new ATOM 0 HB2 LYS A 54 70.599 5.425 -2.679 1.00 0.00 H new ATOM 0 HB3 LYS A 54 69.484 6.060 -1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 54 71.396 6.732 -0.026 1.00 0.00 H new ATOM 0 HG3 LYS A 54 72.531 6.046 -1.171 1.00 0.00 H new ATOM 0 HD2 LYS A 54 71.724 7.622 -2.940 1.00 0.00 H new ATOM 0 HD3 LYS A 54 70.550 8.290 -1.824 1.00 0.00 H new ATOM 0 HE2 LYS A 54 72.405 8.987 -0.284 1.00 0.00 H new ATOM 0 HE3 LYS A 54 73.582 8.314 -1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 73.312 10.696 -1.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 72.792 9.846 -3.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 71.652 10.499 -2.041 1.00 0.00 H new ATOM 862 N ILE A 55 68.244 3.558 -0.341 1.00 0.00 N ATOM 863 CA ILE A 55 66.986 2.837 -0.553 1.00 0.00 C ATOM 864 C ILE A 55 65.959 3.789 -1.172 1.00 0.00 C ATOM 865 O ILE A 55 65.642 4.829 -0.595 1.00 0.00 O ATOM 866 CB ILE A 55 66.456 2.303 0.793 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.621 1.773 1.648 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.455 1.171 0.543 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.444 0.748 0.862 1.00 0.00 C ATOM 0 H ILE A 55 68.261 4.138 0.498 1.00 0.00 H new ATOM 0 HA ILE A 55 67.157 1.996 -1.225 1.00 0.00 H new ATOM 0 HB ILE A 55 65.962 3.117 1.324 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.259 2.601 1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.233 1.315 2.558 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.083 0.797 1.497 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.621 1.547 -0.049 1.00 0.00 H new ATOM 0 HG23 ILE A 55 65.948 0.362 0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.263 0.385 1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 55 67.806 -0.089 0.577 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.849 1.217 -0.034 1.00 0.00 H new ATOM 881 N VAL A 56 65.462 3.441 -2.361 1.00 0.00 N ATOM 882 CA VAL A 56 64.491 4.293 -3.055 1.00 0.00 C ATOM 883 C VAL A 56 63.061 4.048 -2.563 1.00 0.00 C ATOM 884 O VAL A 56 62.339 4.995 -2.250 1.00 0.00 O ATOM 885 CB VAL A 56 64.566 4.044 -4.576 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.324 4.622 -5.280 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.810 4.728 -5.156 1.00 0.00 C ATOM 0 H VAL A 56 65.711 2.586 -2.859 1.00 0.00 H new ATOM 0 HA VAL A 56 64.747 5.330 -2.835 1.00 0.00 H new ATOM 0 HB VAL A 56 64.614 2.968 -4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.394 4.437 -6.352 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.427 4.143 -4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.270 5.696 -5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 56 65.857 4.548 -6.230 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.756 5.801 -4.970 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.703 4.322 -4.681 1.00 0.00 H new ATOM 897 N LYS A 57 62.634 2.785 -2.533 1.00 0.00 N ATOM 898 CA LYS A 57 61.268 2.476 -2.117 1.00 0.00 C ATOM 899 C LYS A 57 61.135 1.028 -1.659 1.00 0.00 C ATOM 900 O LYS A 57 61.902 0.159 -2.071 1.00 0.00 O ATOM 901 CB LYS A 57 60.318 2.738 -3.290 1.00 0.00 C ATOM 902 CG LYS A 57 58.866 2.558 -2.842 1.00 0.00 C ATOM 903 CD LYS A 57 57.930 2.905 -4.000 1.00 0.00 C ATOM 904 CE LYS A 57 56.476 2.741 -3.553 1.00 0.00 C ATOM 905 NZ LYS A 57 55.566 3.077 -4.684 1.00 0.00 N ATOM 0 H LYS A 57 63.201 1.976 -2.786 1.00 0.00 H new ATOM 0 HA LYS A 57 61.012 3.115 -1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.467 3.749 -3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.541 2.054 -4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 57 58.698 1.530 -2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 57 58.656 3.199 -1.986 1.00 0.00 H new ATOM 0 HD2 LYS A 57 58.106 3.929 -4.329 1.00 0.00 H new ATOM 0 HD3 LYS A 57 58.134 2.257 -4.852 1.00 0.00 H new ATOM 0 HE2 LYS A 57 56.300 1.717 -3.222 1.00 0.00 H new ATOM 0 HE3 LYS A 57 56.271 3.391 -2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 54.578 2.965 -4.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 55.728 4.061 -4.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 55.756 2.440 -5.484 1.00 0.00 H new ATOM 919 N ILE A 58 60.146 0.778 -0.802 1.00 0.00 N ATOM 920 CA ILE A 58 59.897 -0.563 -0.285 1.00 0.00 C ATOM 921 C ILE A 58 58.888 -1.282 -1.190 1.00 0.00 C ATOM 922 O ILE A 58 57.709 -0.938 -1.235 1.00 0.00 O ATOM 923 CB ILE A 58 59.394 -0.448 1.172 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.635 -1.767 1.917 1.00 0.00 C ATOM 925 CG2 ILE A 58 57.902 -0.092 1.210 1.00 0.00 C ATOM 926 CD1 ILE A 58 58.896 -1.758 3.261 1.00 0.00 C ATOM 0 H ILE A 58 59.504 1.489 -0.452 1.00 0.00 H new ATOM 0 HA ILE A 58 60.812 -1.155 -0.283 1.00 0.00 H new ATOM 0 HB ILE A 58 59.951 0.350 1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.291 -2.604 1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.703 -1.910 2.082 1.00 0.00 H new ATOM 0 HG21 ILE A 58 57.572 -0.017 2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 58 57.743 0.863 0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.330 -0.868 0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 58 59.075 -2.699 3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 58 59.261 -0.932 3.871 1.00 0.00 H new ATOM 0 HD13 ILE A 58 57.827 -1.636 3.087 1.00 0.00 H new ATOM 938 N LEU A 59 59.378 -2.260 -1.947 1.00 0.00 N ATOM 939 CA LEU A 59 58.519 -2.994 -2.874 1.00 0.00 C ATOM 940 C LEU A 59 57.734 -4.102 -2.166 1.00 0.00 C ATOM 941 O LEU A 59 56.658 -4.487 -2.622 1.00 0.00 O ATOM 942 CB LEU A 59 59.371 -3.591 -4.001 1.00 0.00 C ATOM 943 CG LEU A 59 58.475 -4.244 -5.065 1.00 0.00 C ATOM 944 CD1 LEU A 59 57.564 -3.189 -5.727 1.00 0.00 C ATOM 945 CD2 LEU A 59 59.362 -4.902 -6.128 1.00 0.00 C ATOM 0 H LEU A 59 60.353 -2.561 -1.939 1.00 0.00 H new ATOM 0 HA LEU A 59 57.795 -2.293 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 59 59.979 -2.810 -4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 59 60.059 -4.331 -3.592 1.00 0.00 H new ATOM 0 HG LEU A 59 57.844 -4.995 -4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 59 56.937 -3.670 -6.478 1.00 0.00 H new ATOM 0 HD12 LEU A 59 56.932 -2.726 -4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 59 58.179 -2.425 -6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 59 58.735 -5.368 -6.888 1.00 0.00 H new ATOM 0 HD22 LEU A 59 59.994 -4.146 -6.594 1.00 0.00 H new ATOM 0 HD23 LEU A 59 59.989 -5.661 -5.660 1.00 0.00 H new ATOM 957 N TYR A 60 58.288 -4.631 -1.068 1.00 0.00 N ATOM 958 CA TYR A 60 57.638 -5.722 -0.319 1.00 0.00 C ATOM 959 C TYR A 60 57.277 -5.292 1.107 1.00 0.00 C ATOM 960 O TYR A 60 57.992 -4.520 1.743 1.00 0.00 O ATOM 961 CB TYR A 60 58.574 -6.961 -0.275 1.00 0.00 C ATOM 962 CG TYR A 60 58.262 -7.904 -1.434 1.00 0.00 C ATOM 963 CD1 TYR A 60 58.322 -7.433 -2.750 1.00 0.00 C ATOM 964 CD2 TYR A 60 57.898 -9.243 -1.190 1.00 0.00 C ATOM 965 CE1 TYR A 60 58.025 -8.285 -3.819 1.00 0.00 C ATOM 966 CE2 TYR A 60 57.605 -10.094 -2.261 1.00 0.00 C ATOM 967 CZ TYR A 60 57.664 -9.614 -3.577 1.00 0.00 C ATOM 968 OH TYR A 60 57.375 -10.453 -4.633 1.00 0.00 O ATOM 0 H TYR A 60 59.180 -4.326 -0.678 1.00 0.00 H new ATOM 0 HA TYR A 60 56.713 -5.977 -0.835 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.615 -6.641 -0.328 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.450 -7.485 0.673 1.00 0.00 H new ATOM 0 HD1 TYR A 60 58.599 -6.407 -2.941 1.00 0.00 H new ATOM 0 HD2 TYR A 60 57.845 -9.612 -0.176 1.00 0.00 H new ATOM 0 HE1 TYR A 60 58.075 -7.916 -4.833 1.00 0.00 H new ATOM 0 HE2 TYR A 60 57.333 -11.122 -2.074 1.00 0.00 H new ATOM 0 HH TYR A 60 57.610 -11.374 -4.393 1.00 0.00 H new ATOM 978 N ARG A 61 56.148 -5.822 1.589 1.00 0.00 N ATOM 979 CA ARG A 61 55.653 -5.531 2.937 1.00 0.00 C ATOM 980 C ARG A 61 55.545 -6.824 3.743 1.00 0.00 C ATOM 981 O ARG A 61 55.659 -7.919 3.193 1.00 0.00 O ATOM 982 CB ARG A 61 54.277 -4.862 2.848 1.00 0.00 C ATOM 983 CG ARG A 61 54.418 -3.501 2.165 1.00 0.00 C ATOM 984 CD ARG A 61 53.040 -2.848 2.046 1.00 0.00 C ATOM 985 NE ARG A 61 52.180 -3.642 1.176 1.00 0.00 N ATOM 986 CZ ARG A 61 52.219 -3.509 -0.145 1.00 0.00 C ATOM 987 NH1 ARG A 61 53.042 -2.656 -0.693 1.00 0.00 N ATOM 988 NH2 ARG A 61 51.435 -4.233 -0.898 1.00 0.00 N ATOM 0 H ARG A 61 55.555 -6.461 1.059 1.00 0.00 H new ATOM 0 HA ARG A 61 56.351 -4.858 3.435 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.589 -5.494 2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 61 53.855 -4.739 3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 61 55.088 -2.861 2.739 1.00 0.00 H new ATOM 0 HG3 ARG A 61 54.862 -3.622 1.177 1.00 0.00 H new ATOM 0 HD2 ARG A 61 52.586 -2.757 3.033 1.00 0.00 H new ATOM 0 HD3 ARG A 61 53.141 -1.839 1.647 1.00 0.00 H new ATOM 0 HE ARG A 61 51.535 -4.314 1.591 1.00 0.00 H new ATOM 0 HH11 ARG A 61 53.656 -2.091 -0.106 1.00 0.00 H new ATOM 0 HH12 ARG A 61 53.071 -2.555 -1.708 1.00 0.00 H new ATOM 0 HH21 ARG A 61 50.793 -4.901 -0.472 1.00 0.00 H new ATOM 0 HH22 ARG A 61 51.465 -4.131 -1.912 1.00 0.00 H new ATOM 1002 N GLU A 62 55.339 -6.688 5.048 1.00 0.00 N ATOM 1003 CA GLU A 62 55.236 -7.853 5.928 1.00 0.00 C ATOM 1004 C GLU A 62 54.046 -8.733 5.571 1.00 0.00 C ATOM 1005 O GLU A 62 52.995 -8.247 5.154 1.00 0.00 O ATOM 1006 CB GLU A 62 55.093 -7.412 7.390 1.00 0.00 C ATOM 1007 CG GLU A 62 56.403 -6.794 7.874 1.00 0.00 C ATOM 1008 CD GLU A 62 57.499 -7.853 7.947 1.00 0.00 C ATOM 1009 OE1 GLU A 62 57.164 -9.024 8.029 1.00 0.00 O ATOM 1010 OE2 GLU A 62 58.659 -7.478 7.901 1.00 0.00 O ATOM 0 H GLU A 62 55.240 -5.790 5.521 1.00 0.00 H new ATOM 0 HA GLU A 62 56.152 -8.429 5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.283 -6.689 7.484 1.00 0.00 H new ATOM 0 HB3 GLU A 62 54.831 -8.267 8.013 1.00 0.00 H new ATOM 0 HG2 GLU A 62 56.706 -5.994 7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 62 56.258 -6.344 8.856 1.00 0.00 H new ATOM 1017 N GLY A 63 54.223 -10.036 5.774 1.00 0.00 N ATOM 1018 CA GLY A 63 53.152 -11.003 5.507 1.00 0.00 C ATOM 1019 C GLY A 63 53.122 -11.440 4.047 1.00 0.00 C ATOM 1020 O GLY A 63 52.219 -12.171 3.635 1.00 0.00 O ATOM 0 H GLY A 63 55.090 -10.448 6.120 1.00 0.00 H new ATOM 0 HA2 GLY A 63 53.287 -11.877 6.144 1.00 0.00 H new ATOM 0 HA3 GLY A 63 52.191 -10.561 5.772 1.00 0.00 H new ATOM 1024 N GLN A 64 54.096 -10.991 3.259 1.00 0.00 N ATOM 1025 CA GLN A 64 54.142 -11.350 1.840 1.00 0.00 C ATOM 1026 C GLN A 64 54.923 -12.640 1.603 1.00 0.00 C ATOM 1027 O GLN A 64 56.036 -12.816 2.096 1.00 0.00 O ATOM 1028 CB GLN A 64 54.767 -10.210 1.031 1.00 0.00 C ATOM 1029 CG GLN A 64 53.778 -9.046 0.967 1.00 0.00 C ATOM 1030 CD GLN A 64 54.383 -7.866 0.217 1.00 0.00 C ATOM 1031 OE1 GLN A 64 55.493 -7.958 -0.307 1.00 0.00 O ATOM 1032 NE2 GLN A 64 53.714 -6.747 0.145 1.00 0.00 N ATOM 0 H GLN A 64 54.855 -10.386 3.571 1.00 0.00 H new ATOM 0 HA GLN A 64 53.116 -11.517 1.511 1.00 0.00 H new ATOM 0 HB2 GLN A 64 55.700 -9.887 1.494 1.00 0.00 H new ATOM 0 HB3 GLN A 64 55.012 -10.552 0.025 1.00 0.00 H new ATOM 0 HG2 GLN A 64 52.862 -9.367 0.471 1.00 0.00 H new ATOM 0 HG3 GLN A 64 53.503 -8.740 1.976 1.00 0.00 H new ATOM 0 HE21 GLN A 64 52.794 -6.674 0.580 1.00 0.00 H new ATOM 0 HE22 GLN A 64 54.111 -5.946 -0.346 1.00 0.00 H new ATOM 1041 N VAL A 65 54.319 -13.530 0.816 1.00 0.00 N ATOM 1042 CA VAL A 65 54.934 -14.813 0.463 1.00 0.00 C ATOM 1043 C VAL A 65 54.860 -14.995 -1.046 1.00 0.00 C ATOM 1044 O VAL A 65 53.776 -14.977 -1.628 1.00 0.00 O ATOM 1045 CB VAL A 65 54.208 -15.967 1.169 1.00 0.00 C ATOM 1046 CG1 VAL A 65 52.697 -15.871 0.927 1.00 0.00 C ATOM 1047 CG2 VAL A 65 54.718 -17.309 0.632 1.00 0.00 C ATOM 0 H VAL A 65 53.396 -13.385 0.407 1.00 0.00 H new ATOM 0 HA VAL A 65 55.975 -14.817 0.785 1.00 0.00 H new ATOM 0 HB VAL A 65 54.407 -15.899 2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 65 52.194 -16.695 1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 65 52.325 -14.924 1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 65 52.496 -15.925 -0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 65 54.199 -18.124 1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.529 -17.367 -0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 65 55.789 -17.391 0.817 1.00 0.00 H new ATOM 1057 N VAL A 66 56.019 -15.149 -1.678 1.00 0.00 N ATOM 1058 CA VAL A 66 56.084 -15.305 -3.133 1.00 0.00 C ATOM 1059 C VAL A 66 57.255 -16.229 -3.521 1.00 0.00 C ATOM 1060 O VAL A 66 58.334 -16.109 -2.943 1.00 0.00 O ATOM 1061 CB VAL A 66 56.307 -13.921 -3.760 1.00 0.00 C ATOM 1062 CG1 VAL A 66 55.982 -13.953 -5.255 1.00 0.00 C ATOM 1063 CG2 VAL A 66 55.394 -12.900 -3.073 1.00 0.00 C ATOM 0 H VAL A 66 56.925 -15.170 -1.210 1.00 0.00 H new ATOM 0 HA VAL A 66 55.154 -15.746 -3.493 1.00 0.00 H new ATOM 0 HB VAL A 66 57.352 -13.641 -3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 66 56.145 -12.964 -5.684 1.00 0.00 H new ATOM 0 HG12 VAL A 66 56.629 -14.676 -5.753 1.00 0.00 H new ATOM 0 HG13 VAL A 66 54.940 -14.242 -5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.550 -11.916 -3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 66 54.353 -13.196 -3.204 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.628 -12.860 -2.009 1.00 0.00 H new ATOM 1073 N PRO A 67 57.098 -17.121 -4.483 1.00 0.00 N ATOM 1074 CA PRO A 67 58.222 -18.017 -4.900 1.00 0.00 C ATOM 1075 C PRO A 67 59.512 -17.237 -5.183 1.00 0.00 C ATOM 1076 O PRO A 67 59.480 -16.120 -5.701 1.00 0.00 O ATOM 1077 CB PRO A 67 57.706 -18.697 -6.181 1.00 0.00 C ATOM 1078 CG PRO A 67 56.214 -18.640 -6.096 1.00 0.00 C ATOM 1079 CD PRO A 67 55.866 -17.404 -5.257 1.00 0.00 C ATOM 0 HA PRO A 67 58.483 -18.726 -4.114 1.00 0.00 H new ATOM 0 HB2 PRO A 67 58.068 -18.182 -7.071 1.00 0.00 H new ATOM 0 HB3 PRO A 67 58.056 -19.727 -6.245 1.00 0.00 H new ATOM 0 HG2 PRO A 67 55.772 -18.570 -7.090 1.00 0.00 H new ATOM 0 HG3 PRO A 67 55.818 -19.545 -5.635 1.00 0.00 H new ATOM 0 HD2 PRO A 67 55.592 -16.560 -5.889 1.00 0.00 H new ATOM 0 HD3 PRO A 67 55.019 -17.597 -4.598 1.00 0.00 H new ATOM 1087 N VAL A 68 60.643 -17.845 -4.831 1.00 0.00 N ATOM 1088 CA VAL A 68 61.949 -17.218 -5.036 1.00 0.00 C ATOM 1089 C VAL A 68 62.211 -16.964 -6.515 1.00 0.00 C ATOM 1090 O VAL A 68 62.075 -17.859 -7.348 1.00 0.00 O ATOM 1091 CB VAL A 68 63.040 -18.131 -4.465 1.00 0.00 C ATOM 1092 CG1 VAL A 68 62.946 -19.521 -5.100 1.00 0.00 C ATOM 1093 CG2 VAL A 68 64.428 -17.549 -4.758 1.00 0.00 C ATOM 0 H VAL A 68 60.683 -18.770 -4.403 1.00 0.00 H new ATOM 0 HA VAL A 68 61.959 -16.257 -4.522 1.00 0.00 H new ATOM 0 HB VAL A 68 62.894 -18.205 -3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 68 63.725 -20.163 -4.688 1.00 0.00 H new ATOM 0 HG12 VAL A 68 61.969 -19.954 -4.886 1.00 0.00 H new ATOM 0 HG13 VAL A 68 63.077 -19.438 -6.179 1.00 0.00 H new ATOM 0 HG21 VAL A 68 65.193 -18.208 -4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 68 64.566 -17.461 -5.836 1.00 0.00 H new ATOM 0 HG23 VAL A 68 64.513 -16.564 -4.300 1.00 0.00 H new ATOM 1103 N GLY A 69 62.595 -15.724 -6.827 1.00 0.00 N ATOM 1104 CA GLY A 69 62.887 -15.329 -8.207 1.00 0.00 C ATOM 1105 C GLY A 69 62.260 -13.977 -8.546 1.00 0.00 C ATOM 1106 O GLY A 69 61.552 -13.853 -9.546 1.00 0.00 O ATOM 0 H GLY A 69 62.711 -14.976 -6.143 1.00 0.00 H new ATOM 0 HA2 GLY A 69 63.966 -15.277 -8.351 1.00 0.00 H new ATOM 0 HA3 GLY A 69 62.510 -16.088 -8.892 1.00 0.00 H new ATOM 1110 N SER A 70 62.525 -12.961 -7.719 1.00 0.00 N ATOM 1111 CA SER A 70 61.974 -11.631 -7.970 1.00 0.00 C ATOM 1112 C SER A 70 62.657 -10.582 -7.096 1.00 0.00 C ATOM 1113 O SER A 70 63.150 -10.889 -6.011 1.00 0.00 O ATOM 1114 CB SER A 70 60.474 -11.628 -7.685 1.00 0.00 C ATOM 1115 OG SER A 70 59.976 -10.302 -7.795 1.00 0.00 O ATOM 0 H SER A 70 63.107 -13.033 -6.885 1.00 0.00 H new ATOM 0 HA SER A 70 62.152 -11.383 -9.016 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.958 -12.282 -8.388 1.00 0.00 H new ATOM 0 HB3 SER A 70 60.282 -12.019 -6.686 1.00 0.00 H new ATOM 0 HG SER A 70 59.013 -10.298 -7.614 1.00 0.00 H new ATOM 1121 N THR A 71 62.668 -9.335 -7.569 1.00 0.00 N ATOM 1122 CA THR A 71 63.277 -8.247 -6.810 1.00 0.00 C ATOM 1123 C THR A 71 62.316 -7.779 -5.719 1.00 0.00 C ATOM 1124 O THR A 71 61.133 -7.559 -5.977 1.00 0.00 O ATOM 1125 CB THR A 71 63.621 -7.083 -7.746 1.00 0.00 C ATOM 1126 OG1 THR A 71 64.436 -6.148 -7.052 1.00 0.00 O ATOM 1127 CG2 THR A 71 62.338 -6.391 -8.216 1.00 0.00 C ATOM 0 H THR A 71 62.266 -9.057 -8.464 1.00 0.00 H new ATOM 0 HA THR A 71 64.195 -8.605 -6.345 1.00 0.00 H new ATOM 0 HB THR A 71 64.157 -7.467 -8.614 1.00 0.00 H new ATOM 0 HG1 THR A 71 64.659 -5.403 -7.648 1.00 0.00 H new ATOM 0 HG21 THR A 71 62.592 -5.565 -8.881 1.00 0.00 H new ATOM 0 HG22 THR A 71 61.713 -7.107 -8.750 1.00 0.00 H new ATOM 0 HG23 THR A 71 61.794 -6.008 -7.353 1.00 0.00 H new ATOM 1135 N LEU A 72 62.820 -7.663 -4.493 1.00 0.00 N ATOM 1136 CA LEU A 72 61.987 -7.255 -3.355 1.00 0.00 C ATOM 1137 C LEU A 72 62.261 -5.813 -2.925 1.00 0.00 C ATOM 1138 O LEU A 72 61.654 -5.318 -1.975 1.00 0.00 O ATOM 1139 CB LEU A 72 62.268 -8.197 -2.187 1.00 0.00 C ATOM 1140 CG LEU A 72 62.208 -9.650 -2.677 1.00 0.00 C ATOM 1141 CD1 LEU A 72 62.387 -10.587 -1.487 1.00 0.00 C ATOM 1142 CD2 LEU A 72 60.846 -9.922 -3.327 1.00 0.00 C ATOM 0 H LEU A 72 63.796 -7.844 -4.258 1.00 0.00 H new ATOM 0 HA LEU A 72 60.942 -7.309 -3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 72 63.249 -7.985 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 72 61.537 -8.039 -1.394 1.00 0.00 H new ATOM 0 HG LEU A 72 62.999 -9.818 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 72 62.345 -11.621 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 72 63.353 -10.399 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 72 61.591 -10.412 -0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 72 60.808 -10.955 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 72 60.054 -9.755 -2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 72 60.706 -9.250 -4.174 1.00 0.00 H new ATOM 1154 N LEU A 73 63.179 -5.147 -3.612 1.00 0.00 N ATOM 1155 CA LEU A 73 63.528 -3.769 -3.273 1.00 0.00 C ATOM 1156 C LEU A 73 64.483 -3.210 -4.337 1.00 0.00 C ATOM 1157 O LEU A 73 65.323 -3.937 -4.868 1.00 0.00 O ATOM 1158 CB LEU A 73 64.129 -3.763 -1.842 1.00 0.00 C ATOM 1159 CG LEU A 73 65.165 -2.648 -1.619 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.544 -1.249 -1.773 1.00 0.00 C ATOM 1161 CD2 LEU A 73 65.732 -2.786 -0.195 1.00 0.00 C ATOM 0 H LEU A 73 63.694 -5.533 -4.403 1.00 0.00 H new ATOM 0 HA LEU A 73 62.654 -3.117 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 73 63.322 -3.649 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 73 64.597 -4.728 -1.649 1.00 0.00 H new ATOM 0 HG LEU A 73 65.948 -2.753 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 73 65.310 -0.491 -1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 73 64.137 -1.140 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.745 -1.123 -1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.469 -2.002 -0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 73 64.923 -2.692 0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 73 66.206 -3.761 -0.085 1.00 0.00 H new ATOM 1173 N GLN A 74 64.333 -1.921 -4.663 1.00 0.00 N ATOM 1174 CA GLN A 74 65.176 -1.282 -5.693 1.00 0.00 C ATOM 1175 C GLN A 74 66.256 -0.415 -5.039 1.00 0.00 C ATOM 1176 O GLN A 74 65.969 0.405 -4.166 1.00 0.00 O ATOM 1177 CB GLN A 74 64.295 -0.410 -6.625 1.00 0.00 C ATOM 1178 CG GLN A 74 63.868 -1.196 -7.877 1.00 0.00 C ATOM 1179 CD GLN A 74 65.047 -1.318 -8.835 1.00 0.00 C ATOM 1180 OE1 GLN A 74 66.010 -0.558 -8.735 1.00 0.00 O ATOM 1181 NE2 GLN A 74 65.033 -2.237 -9.760 1.00 0.00 N ATOM 0 H GLN A 74 63.645 -1.301 -4.236 1.00 0.00 H new ATOM 0 HA GLN A 74 65.662 -2.061 -6.280 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.411 -0.073 -6.084 1.00 0.00 H new ATOM 0 HB3 GLN A 74 64.846 0.482 -6.922 1.00 0.00 H new ATOM 0 HG2 GLN A 74 63.514 -2.187 -7.593 1.00 0.00 H new ATOM 0 HG3 GLN A 74 63.038 -0.690 -8.370 1.00 0.00 H new ATOM 0 HE21 GLN A 74 64.234 -2.866 -9.842 1.00 0.00 H new ATOM 0 HE22 GLN A 74 65.821 -2.327 -10.402 1.00 0.00 H new ATOM 1190 N ILE A 75 67.511 -0.616 -5.464 1.00 0.00 N ATOM 1191 CA ILE A 75 68.643 0.136 -4.910 1.00 0.00 C ATOM 1192 C ILE A 75 69.506 0.741 -6.009 1.00 0.00 C ATOM 1193 O ILE A 75 69.988 0.043 -6.902 1.00 0.00 O ATOM 1194 CB ILE A 75 69.485 -0.802 -4.039 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.654 -1.254 -2.833 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.740 -0.090 -3.531 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.318 -2.462 -2.169 1.00 0.00 C ATOM 0 H ILE A 75 67.766 -1.290 -6.186 1.00 0.00 H new ATOM 0 HA ILE A 75 68.253 0.958 -4.310 1.00 0.00 H new ATOM 0 HB ILE A 75 69.782 -1.660 -4.642 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.563 -0.438 -2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.644 -1.512 -3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.323 -0.775 -2.915 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.342 0.236 -4.379 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.451 0.777 -2.936 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.723 -2.779 -1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.386 -3.280 -2.886 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.319 -2.189 -1.835 1.00 0.00 H new ATOM 1209 N ASP A 76 69.713 2.048 -5.909 1.00 0.00 N ATOM 1210 CA ASP A 76 70.540 2.771 -6.875 1.00 0.00 C ATOM 1211 C ASP A 76 71.991 2.774 -6.407 1.00 0.00 C ATOM 1212 O ASP A 76 72.267 2.952 -5.221 1.00 0.00 O ATOM 1213 CB ASP A 76 70.048 4.213 -7.013 1.00 0.00 C ATOM 1214 CG ASP A 76 68.650 4.220 -7.623 1.00 0.00 C ATOM 1215 OD1 ASP A 76 68.260 3.199 -8.166 1.00 0.00 O ATOM 1216 OD2 ASP A 76 67.993 5.246 -7.549 1.00 0.00 O ATOM 0 H ASP A 76 69.321 2.632 -5.170 1.00 0.00 H new ATOM 0 HA ASP A 76 70.469 2.274 -7.843 1.00 0.00 H new ATOM 0 HB2 ASP A 76 70.032 4.698 -6.037 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.733 4.783 -7.641 1.00 0.00 H new ATOM 1221 N THR A 77 72.919 2.576 -7.340 1.00 0.00 N ATOM 1222 CA THR A 77 74.344 2.558 -7.006 1.00 0.00 C ATOM 1223 C THR A 77 74.979 3.908 -7.321 1.00 0.00 C ATOM 1224 O THR A 77 74.724 4.421 -8.399 1.00 0.00 O ATOM 1225 CB THR A 77 75.053 1.463 -7.804 1.00 0.00 C ATOM 1226 OG1 THR A 77 74.339 0.242 -7.665 1.00 0.00 O ATOM 1227 CG2 THR A 77 76.476 1.285 -7.273 1.00 0.00 C ATOM 1228 OXT THR A 77 75.714 4.408 -6.484 1.00 0.00 O ATOM 0 H THR A 77 72.714 2.426 -8.328 1.00 0.00 H new ATOM 0 HA THR A 77 74.448 2.356 -5.940 1.00 0.00 H new ATOM 0 HB THR A 77 75.092 1.745 -8.856 1.00 0.00 H new ATOM 0 HG1 THR A 77 74.791 -0.461 -8.177 1.00 0.00 H new ATOM 0 HG21 THR A 77 76.982 0.505 -7.842 1.00 0.00 H new ATOM 0 HG22 THR A 77 77.023 2.222 -7.377 1.00 0.00 H new ATOM 0 HG23 THR A 77 76.439 1.001 -6.221 1.00 0.00 H new