USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 410 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc=-0.00178 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot -130:sc= -3.76! USER MOD Single : A 32 SER OG : rot 72:sc= 0.161 USER MOD Single : A 33 ASN : amide:sc= -1.4! C(o=-1.4!,f=-13!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.78! C(o=-1.8!,f=-3.3!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 150:sc= -0.317 USER MOD Single : A 52 ASN : amide:sc= -4.96! C(o=-5!,f=-19!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -135:sc= 0.0251 USER MOD ----------------------------------------------------------------- ATOM 44 N LYS A 3 39.362 54.511 -36.456 1.00 0.00 N ATOM 45 CA LYS A 3 39.376 55.339 -37.695 1.00 0.00 C ATOM 46 C LYS A 3 39.255 56.818 -37.318 1.00 0.00 C ATOM 47 O LYS A 3 38.171 57.330 -37.120 1.00 0.00 O ATOM 48 CB LYS A 3 38.197 54.941 -38.586 1.00 0.00 C ATOM 49 CG LYS A 3 38.627 53.813 -39.526 1.00 0.00 C ATOM 50 CD LYS A 3 37.466 52.837 -39.718 1.00 0.00 C ATOM 51 CE LYS A 3 37.400 51.878 -38.527 1.00 0.00 C ATOM 52 NZ LYS A 3 36.361 50.840 -38.782 1.00 0.00 N ATOM 0 HA LYS A 3 40.309 55.176 -38.234 1.00 0.00 H new ATOM 0 HB2 LYS A 3 37.357 54.617 -37.972 1.00 0.00 H new ATOM 0 HB3 LYS A 3 37.857 55.801 -39.164 1.00 0.00 H new ATOM 0 HG2 LYS A 3 38.933 54.224 -40.488 1.00 0.00 H new ATOM 0 HG3 LYS A 3 39.490 53.291 -39.113 1.00 0.00 H new ATOM 0 HD2 LYS A 3 36.528 53.385 -39.809 1.00 0.00 H new ATOM 0 HD3 LYS A 3 37.598 52.276 -40.643 1.00 0.00 H new ATOM 0 HE2 LYS A 3 38.370 51.406 -38.372 1.00 0.00 H new ATOM 0 HE3 LYS A 3 37.164 52.428 -37.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 36.316 50.188 -37.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 35.436 51.298 -38.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 36.605 50.308 -39.642 1.00 0.00 H new ATOM 66 N VAL A 4 40.360 57.507 -37.216 1.00 0.00 N ATOM 67 CA VAL A 4 40.309 58.951 -36.848 1.00 0.00 C ATOM 68 C VAL A 4 39.400 59.689 -37.844 1.00 0.00 C ATOM 69 O VAL A 4 39.695 59.774 -39.017 1.00 0.00 O ATOM 70 CB VAL A 4 41.732 59.525 -36.893 1.00 0.00 C ATOM 71 CG1 VAL A 4 42.205 59.629 -38.341 1.00 0.00 C ATOM 72 CG2 VAL A 4 41.762 60.914 -36.260 1.00 0.00 C ATOM 0 H VAL A 4 41.296 57.132 -37.372 1.00 0.00 H new ATOM 0 HA VAL A 4 39.907 59.076 -35.843 1.00 0.00 H new ATOM 0 HB VAL A 4 42.391 58.859 -36.337 1.00 0.00 H new ATOM 0 HG11 VAL A 4 43.215 60.037 -38.365 1.00 0.00 H new ATOM 0 HG12 VAL A 4 42.203 58.639 -38.797 1.00 0.00 H new ATOM 0 HG13 VAL A 4 41.535 60.286 -38.896 1.00 0.00 H new ATOM 0 HG21 VAL A 4 42.777 61.310 -36.298 1.00 0.00 H new ATOM 0 HG22 VAL A 4 41.093 61.578 -36.807 1.00 0.00 H new ATOM 0 HG23 VAL A 4 41.438 60.848 -35.222 1.00 0.00 H new ATOM 82 N VAL A 5 38.284 60.198 -37.390 1.00 0.00 N ATOM 83 CA VAL A 5 37.342 60.902 -38.321 1.00 0.00 C ATOM 84 C VAL A 5 37.651 62.396 -38.412 1.00 0.00 C ATOM 85 O VAL A 5 38.020 63.019 -37.445 1.00 0.00 O ATOM 86 CB VAL A 5 35.912 60.734 -37.840 1.00 0.00 C ATOM 87 CG1 VAL A 5 35.776 61.360 -36.457 1.00 0.00 C ATOM 88 CG2 VAL A 5 34.985 61.449 -38.820 1.00 0.00 C ATOM 0 H VAL A 5 37.981 60.158 -36.417 1.00 0.00 H new ATOM 0 HA VAL A 5 37.468 60.455 -39.307 1.00 0.00 H new ATOM 0 HB VAL A 5 35.650 59.677 -37.785 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.751 61.244 -36.104 1.00 0.00 H new ATOM 0 HG12 VAL A 5 36.457 60.864 -35.765 1.00 0.00 H new ATOM 0 HG13 VAL A 5 36.023 62.420 -36.512 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.952 61.339 -38.490 1.00 0.00 H new ATOM 0 HG22 VAL A 5 35.243 62.507 -38.858 1.00 0.00 H new ATOM 0 HG23 VAL A 5 35.098 61.012 -39.812 1.00 0.00 H new ATOM 98 N ALA A 6 37.456 62.981 -39.564 1.00 0.00 N ATOM 99 CA ALA A 6 37.713 64.441 -39.720 1.00 0.00 C ATOM 100 C ALA A 6 36.956 65.228 -38.651 1.00 0.00 C ATOM 101 O ALA A 6 36.339 64.667 -37.769 1.00 0.00 O ATOM 102 CB ALA A 6 37.232 64.896 -41.099 1.00 0.00 C ATOM 0 H ALA A 6 37.129 62.508 -40.406 1.00 0.00 H new ATOM 0 HA ALA A 6 38.782 64.623 -39.614 1.00 0.00 H new ATOM 0 HB1 ALA A 6 37.419 65.964 -41.216 1.00 0.00 H new ATOM 0 HB2 ALA A 6 37.770 64.347 -41.872 1.00 0.00 H new ATOM 0 HB3 ALA A 6 36.164 64.702 -41.194 1.00 0.00 H new ATOM 108 N LEU A 7 37.008 66.531 -38.729 1.00 0.00 N ATOM 109 CA LEU A 7 36.304 67.377 -37.727 1.00 0.00 C ATOM 110 C LEU A 7 35.940 68.719 -38.359 1.00 0.00 C ATOM 111 O LEU A 7 34.841 69.214 -38.205 1.00 0.00 O ATOM 112 CB LEU A 7 37.238 67.620 -36.551 1.00 0.00 C ATOM 113 CG LEU A 7 36.512 67.359 -35.233 1.00 0.00 C ATOM 114 CD1 LEU A 7 35.466 68.450 -35.000 1.00 0.00 C ATOM 115 CD2 LEU A 7 35.821 65.993 -35.274 1.00 0.00 C ATOM 0 H LEU A 7 37.512 67.047 -39.450 1.00 0.00 H new ATOM 0 HA LEU A 7 35.397 66.875 -37.391 1.00 0.00 H new ATOM 0 HB2 LEU A 7 38.109 66.969 -36.629 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.604 68.646 -36.575 1.00 0.00 H new ATOM 0 HG LEU A 7 37.239 67.367 -34.421 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.948 68.263 -34.059 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.957 69.422 -34.957 1.00 0.00 H new ATOM 0 HD13 LEU A 7 34.746 68.444 -35.818 1.00 0.00 H new ATOM 0 HD21 LEU A 7 35.306 65.817 -34.329 1.00 0.00 H new ATOM 0 HD22 LEU A 7 35.098 65.975 -36.090 1.00 0.00 H new ATOM 0 HD23 LEU A 7 36.566 65.213 -35.432 1.00 0.00 H new ATOM 127 N TYR A 8 36.858 69.314 -39.067 1.00 0.00 N ATOM 128 CA TYR A 8 36.572 70.627 -39.709 1.00 0.00 C ATOM 129 C TYR A 8 37.123 70.627 -41.136 1.00 0.00 C ATOM 130 O TYR A 8 38.285 70.353 -41.366 1.00 0.00 O ATOM 131 CB TYR A 8 37.235 71.740 -38.898 1.00 0.00 C ATOM 132 CG TYR A 8 36.953 71.522 -37.430 1.00 0.00 C ATOM 133 CD1 TYR A 8 35.666 71.746 -36.924 1.00 0.00 C ATOM 134 CD2 TYR A 8 37.975 71.097 -36.574 1.00 0.00 C ATOM 135 CE1 TYR A 8 35.404 71.547 -35.564 1.00 0.00 C ATOM 136 CE2 TYR A 8 37.712 70.896 -35.214 1.00 0.00 C ATOM 137 CZ TYR A 8 36.426 71.123 -34.709 1.00 0.00 C ATOM 138 OH TYR A 8 36.167 70.926 -33.367 1.00 0.00 O ATOM 0 H TYR A 8 37.796 68.947 -39.229 1.00 0.00 H new ATOM 0 HA TYR A 8 35.495 70.795 -39.740 1.00 0.00 H new ATOM 0 HB2 TYR A 8 38.310 71.745 -39.077 1.00 0.00 H new ATOM 0 HB3 TYR A 8 36.855 72.712 -39.213 1.00 0.00 H new ATOM 0 HD1 TYR A 8 34.876 72.072 -37.584 1.00 0.00 H new ATOM 0 HD2 TYR A 8 38.968 70.924 -36.963 1.00 0.00 H new ATOM 0 HE1 TYR A 8 34.412 71.721 -35.174 1.00 0.00 H new ATOM 0 HE2 TYR A 8 38.501 70.566 -34.554 1.00 0.00 H new ATOM 0 HH TYR A 8 36.985 70.631 -32.916 1.00 0.00 H new ATOM 148 N ASP A 9 36.294 70.927 -42.099 1.00 0.00 N ATOM 149 CA ASP A 9 36.762 70.940 -43.514 1.00 0.00 C ATOM 150 C ASP A 9 38.130 71.619 -43.601 1.00 0.00 C ATOM 151 O ASP A 9 38.255 72.815 -43.428 1.00 0.00 O ATOM 152 CB ASP A 9 35.757 71.706 -44.376 1.00 0.00 C ATOM 153 CG ASP A 9 35.107 70.746 -45.373 1.00 0.00 C ATOM 154 OD1 ASP A 9 35.768 70.380 -46.329 1.00 0.00 O ATOM 155 OD2 ASP A 9 33.958 70.393 -45.162 1.00 0.00 O ATOM 0 H ASP A 9 35.311 71.164 -41.966 1.00 0.00 H new ATOM 0 HA ASP A 9 36.846 69.915 -43.874 1.00 0.00 H new ATOM 0 HB2 ASP A 9 34.995 72.164 -43.745 1.00 0.00 H new ATOM 0 HB3 ASP A 9 36.259 72.515 -44.907 1.00 0.00 H new ATOM 160 N TYR A 10 39.159 70.862 -43.870 1.00 0.00 N ATOM 161 CA TYR A 10 40.522 71.459 -43.971 1.00 0.00 C ATOM 162 C TYR A 10 41.157 71.058 -45.306 1.00 0.00 C ATOM 163 O TYR A 10 40.844 70.027 -45.866 1.00 0.00 O ATOM 164 CB TYR A 10 41.387 70.941 -42.820 1.00 0.00 C ATOM 165 CG TYR A 10 42.202 72.075 -42.251 1.00 0.00 C ATOM 166 CD1 TYR A 10 41.597 73.310 -41.987 1.00 0.00 C ATOM 167 CD2 TYR A 10 43.564 71.892 -41.985 1.00 0.00 C ATOM 168 CE1 TYR A 10 42.354 74.362 -41.456 1.00 0.00 C ATOM 169 CE2 TYR A 10 44.322 72.943 -41.456 1.00 0.00 C ATOM 170 CZ TYR A 10 43.717 74.178 -41.191 1.00 0.00 C ATOM 171 OH TYR A 10 44.463 75.213 -40.668 1.00 0.00 O ATOM 0 H TYR A 10 39.115 69.855 -44.024 1.00 0.00 H new ATOM 0 HA TYR A 10 40.450 72.545 -43.915 1.00 0.00 H new ATOM 0 HB2 TYR A 10 40.756 70.508 -42.044 1.00 0.00 H new ATOM 0 HB3 TYR A 10 42.046 70.148 -43.175 1.00 0.00 H new ATOM 0 HD1 TYR A 10 40.546 73.451 -42.193 1.00 0.00 H new ATOM 0 HD2 TYR A 10 44.030 70.939 -42.188 1.00 0.00 H new ATOM 0 HE1 TYR A 10 41.887 75.314 -41.251 1.00 0.00 H new ATOM 0 HE2 TYR A 10 45.373 72.802 -41.252 1.00 0.00 H new ATOM 0 HH TYR A 10 45.389 74.918 -40.543 1.00 0.00 H new ATOM 181 N MET A 11 42.048 71.863 -45.818 1.00 0.00 N ATOM 182 CA MET A 11 42.700 71.525 -47.109 1.00 0.00 C ATOM 183 C MET A 11 44.215 71.739 -46.996 1.00 0.00 C ATOM 184 O MET A 11 44.780 72.551 -47.702 1.00 0.00 O ATOM 185 CB MET A 11 42.138 72.415 -48.218 1.00 0.00 C ATOM 186 CG MET A 11 42.281 73.884 -47.819 1.00 0.00 C ATOM 187 SD MET A 11 41.531 74.930 -49.090 1.00 0.00 S ATOM 188 CE MET A 11 42.021 76.525 -48.390 1.00 0.00 C ATOM 0 H MET A 11 42.351 72.740 -45.395 1.00 0.00 H new ATOM 0 HA MET A 11 42.501 70.480 -47.348 1.00 0.00 H new ATOM 0 HB2 MET A 11 42.668 72.228 -49.152 1.00 0.00 H new ATOM 0 HB3 MET A 11 41.089 72.176 -48.394 1.00 0.00 H new ATOM 0 HG2 MET A 11 41.799 74.059 -46.857 1.00 0.00 H new ATOM 0 HG3 MET A 11 43.334 74.138 -47.698 1.00 0.00 H new ATOM 0 HE1 MET A 11 41.655 77.330 -49.027 1.00 0.00 H new ATOM 0 HE2 MET A 11 41.596 76.630 -47.392 1.00 0.00 H new ATOM 0 HE3 MET A 11 43.108 76.577 -48.329 1.00 0.00 H new ATOM 198 N PRO A 12 44.825 70.997 -46.104 1.00 0.00 N ATOM 199 CA PRO A 12 46.280 71.064 -45.859 1.00 0.00 C ATOM 200 C PRO A 12 47.050 70.274 -46.926 1.00 0.00 C ATOM 201 O PRO A 12 48.213 69.969 -46.753 1.00 0.00 O ATOM 202 CB PRO A 12 46.439 70.391 -44.495 1.00 0.00 C ATOM 203 CG PRO A 12 45.206 69.470 -44.323 1.00 0.00 C ATOM 204 CD PRO A 12 44.116 70.025 -45.249 1.00 0.00 C ATOM 0 HA PRO A 12 46.666 72.083 -45.890 1.00 0.00 H new ATOM 0 HB2 PRO A 12 47.364 69.816 -44.450 1.00 0.00 H new ATOM 0 HB3 PRO A 12 46.485 71.133 -43.698 1.00 0.00 H new ATOM 0 HG2 PRO A 12 45.451 68.441 -44.585 1.00 0.00 H new ATOM 0 HG3 PRO A 12 44.868 69.463 -43.287 1.00 0.00 H new ATOM 0 HD2 PRO A 12 43.657 69.234 -45.842 1.00 0.00 H new ATOM 0 HD3 PRO A 12 43.317 70.503 -44.682 1.00 0.00 H new ATOM 266 N ASP A 17 48.687 66.545 -45.985 1.00 0.00 N ATOM 267 CA ASP A 17 47.614 66.003 -45.105 1.00 0.00 C ATOM 268 C ASP A 17 46.391 65.661 -45.958 1.00 0.00 C ATOM 269 O ASP A 17 46.234 66.162 -47.054 1.00 0.00 O ATOM 270 CB ASP A 17 47.233 67.054 -44.065 1.00 0.00 C ATOM 271 CG ASP A 17 48.238 67.025 -42.913 1.00 0.00 C ATOM 272 OD1 ASP A 17 49.426 67.077 -43.186 1.00 0.00 O ATOM 273 OD2 ASP A 17 47.803 66.952 -41.775 1.00 0.00 O ATOM 0 HA ASP A 17 47.970 65.106 -44.599 1.00 0.00 H new ATOM 0 HB2 ASP A 17 47.217 68.043 -44.522 1.00 0.00 H new ATOM 0 HB3 ASP A 17 46.228 66.861 -43.689 1.00 0.00 H new ATOM 278 N LEU A 18 45.523 64.811 -45.477 1.00 0.00 N ATOM 279 CA LEU A 18 44.325 64.452 -46.284 1.00 0.00 C ATOM 280 C LEU A 18 43.268 65.547 -46.156 1.00 0.00 C ATOM 281 O LEU A 18 42.619 65.684 -45.141 1.00 0.00 O ATOM 282 CB LEU A 18 43.752 63.129 -45.760 1.00 0.00 C ATOM 283 CG LEU A 18 44.112 61.919 -46.654 1.00 0.00 C ATOM 284 CD1 LEU A 18 45.140 62.274 -47.739 1.00 0.00 C ATOM 285 CD2 LEU A 18 44.692 60.826 -45.761 1.00 0.00 C ATOM 0 H LEU A 18 45.592 64.354 -44.568 1.00 0.00 H new ATOM 0 HA LEU A 18 44.607 64.348 -47.332 1.00 0.00 H new ATOM 0 HB2 LEU A 18 44.125 62.952 -44.751 1.00 0.00 H new ATOM 0 HB3 LEU A 18 42.667 63.212 -45.689 1.00 0.00 H new ATOM 0 HG LEU A 18 43.205 61.589 -47.161 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.357 61.389 -48.338 1.00 0.00 H new ATOM 0 HD12 LEU A 18 44.736 63.057 -48.381 1.00 0.00 H new ATOM 0 HD13 LEU A 18 46.057 62.628 -47.269 1.00 0.00 H new ATOM 0 HD21 LEU A 18 44.954 59.960 -46.369 1.00 0.00 H new ATOM 0 HD22 LEU A 18 45.584 61.201 -45.260 1.00 0.00 H new ATOM 0 HD23 LEU A 18 43.952 60.535 -45.015 1.00 0.00 H new ATOM 297 N GLN A 19 43.106 66.322 -47.198 1.00 0.00 N ATOM 298 CA GLN A 19 42.099 67.427 -47.198 1.00 0.00 C ATOM 299 C GLN A 19 40.889 67.038 -46.355 1.00 0.00 C ATOM 300 O GLN A 19 40.014 66.318 -46.793 1.00 0.00 O ATOM 301 CB GLN A 19 41.649 67.706 -48.632 1.00 0.00 C ATOM 302 CG GLN A 19 40.589 68.810 -48.625 1.00 0.00 C ATOM 303 CD GLN A 19 39.593 68.571 -49.762 1.00 0.00 C ATOM 304 OE1 GLN A 19 38.799 67.653 -49.706 1.00 0.00 O ATOM 305 NE2 GLN A 19 39.602 69.363 -50.798 1.00 0.00 N ATOM 0 H GLN A 19 43.638 66.234 -48.064 1.00 0.00 H new ATOM 0 HA GLN A 19 42.555 68.321 -46.773 1.00 0.00 H new ATOM 0 HB2 GLN A 19 42.501 68.009 -49.240 1.00 0.00 H new ATOM 0 HB3 GLN A 19 41.243 66.799 -49.081 1.00 0.00 H new ATOM 0 HG2 GLN A 19 40.068 68.822 -47.668 1.00 0.00 H new ATOM 0 HG3 GLN A 19 41.063 69.784 -48.742 1.00 0.00 H new ATOM 0 HE21 GLN A 19 40.269 70.134 -50.845 1.00 0.00 H new ATOM 0 HE22 GLN A 19 38.942 69.212 -51.561 1.00 0.00 H new ATOM 314 N LEU A 20 40.837 67.512 -45.144 1.00 0.00 N ATOM 315 CA LEU A 20 39.691 67.176 -44.261 1.00 0.00 C ATOM 316 C LEU A 20 38.384 67.562 -44.951 1.00 0.00 C ATOM 317 O LEU A 20 38.280 68.605 -45.568 1.00 0.00 O ATOM 318 CB LEU A 20 39.826 67.944 -42.946 1.00 0.00 C ATOM 319 CG LEU A 20 40.656 67.122 -41.961 1.00 0.00 C ATOM 320 CD1 LEU A 20 39.848 65.911 -41.514 1.00 0.00 C ATOM 321 CD2 LEU A 20 41.936 66.641 -42.646 1.00 0.00 C ATOM 0 H LEU A 20 41.542 68.120 -44.727 1.00 0.00 H new ATOM 0 HA LEU A 20 39.686 66.105 -44.058 1.00 0.00 H new ATOM 0 HB2 LEU A 20 40.302 68.909 -43.123 1.00 0.00 H new ATOM 0 HB3 LEU A 20 38.840 68.146 -42.527 1.00 0.00 H new ATOM 0 HG LEU A 20 40.911 67.739 -41.099 1.00 0.00 H new ATOM 0 HD11 LEU A 20 40.436 65.321 -40.811 1.00 0.00 H new ATOM 0 HD12 LEU A 20 38.930 66.245 -41.030 1.00 0.00 H new ATOM 0 HD13 LEU A 20 39.599 65.300 -42.381 1.00 0.00 H new ATOM 0 HD21 LEU A 20 42.527 66.055 -41.942 1.00 0.00 H new ATOM 0 HD22 LEU A 20 41.678 66.023 -43.506 1.00 0.00 H new ATOM 0 HD23 LEU A 20 42.516 67.502 -42.978 1.00 0.00 H new ATOM 333 N ARG A 21 37.385 66.730 -44.855 1.00 0.00 N ATOM 334 CA ARG A 21 36.086 67.056 -45.510 1.00 0.00 C ATOM 335 C ARG A 21 34.949 66.887 -44.511 1.00 0.00 C ATOM 336 O ARG A 21 33.807 66.690 -44.875 1.00 0.00 O ATOM 337 CB ARG A 21 35.863 66.132 -46.710 1.00 0.00 C ATOM 338 CG ARG A 21 34.941 66.821 -47.718 1.00 0.00 C ATOM 339 CD ARG A 21 33.697 65.960 -47.944 1.00 0.00 C ATOM 340 NE ARG A 21 34.057 64.772 -48.769 1.00 0.00 N ATOM 341 CZ ARG A 21 34.863 64.906 -49.787 1.00 0.00 C ATOM 342 NH1 ARG A 21 36.003 64.270 -49.805 1.00 0.00 N ATOM 343 NH2 ARG A 21 34.531 65.676 -50.786 1.00 0.00 N ATOM 0 H ARG A 21 37.410 65.842 -44.354 1.00 0.00 H new ATOM 0 HA ARG A 21 36.109 68.090 -45.855 1.00 0.00 H new ATOM 0 HB2 ARG A 21 36.817 65.890 -47.179 1.00 0.00 H new ATOM 0 HB3 ARG A 21 35.422 65.191 -46.381 1.00 0.00 H new ATOM 0 HG2 ARG A 21 34.653 67.805 -47.349 1.00 0.00 H new ATOM 0 HG3 ARG A 21 35.466 66.975 -48.661 1.00 0.00 H new ATOM 0 HD2 ARG A 21 33.285 65.640 -46.987 1.00 0.00 H new ATOM 0 HD3 ARG A 21 32.924 66.543 -48.445 1.00 0.00 H new ATOM 0 HE ARG A 21 33.674 63.855 -48.538 1.00 0.00 H new ATOM 0 HH11 ARG A 21 36.264 63.668 -49.024 1.00 0.00 H new ATOM 0 HH12 ARG A 21 36.633 64.375 -50.600 1.00 0.00 H new ATOM 0 HH21 ARG A 21 33.641 66.174 -50.772 1.00 0.00 H new ATOM 0 HH22 ARG A 21 35.161 65.780 -51.581 1.00 0.00 H new ATOM 357 N LYS A 22 35.264 66.983 -43.255 1.00 0.00 N ATOM 358 CA LYS A 22 34.227 66.852 -42.191 1.00 0.00 C ATOM 359 C LYS A 22 33.203 65.781 -42.570 1.00 0.00 C ATOM 360 O LYS A 22 32.257 66.041 -43.287 1.00 0.00 O ATOM 361 CB LYS A 22 33.509 68.191 -42.023 1.00 0.00 C ATOM 362 CG LYS A 22 33.893 68.808 -40.682 1.00 0.00 C ATOM 363 CD LYS A 22 32.858 68.416 -39.628 1.00 0.00 C ATOM 364 CE LYS A 22 32.312 69.675 -38.951 1.00 0.00 C ATOM 365 NZ LYS A 22 30.833 69.561 -38.812 1.00 0.00 N ATOM 0 H LYS A 22 36.210 67.149 -42.911 1.00 0.00 H new ATOM 0 HA LYS A 22 34.713 66.563 -41.259 1.00 0.00 H new ATOM 0 HB2 LYS A 22 33.778 68.865 -42.836 1.00 0.00 H new ATOM 0 HB3 LYS A 22 32.430 68.046 -42.073 1.00 0.00 H new ATOM 0 HG2 LYS A 22 34.883 68.464 -40.381 1.00 0.00 H new ATOM 0 HG3 LYS A 22 33.945 69.893 -40.770 1.00 0.00 H new ATOM 0 HD2 LYS A 22 32.044 67.859 -40.092 1.00 0.00 H new ATOM 0 HD3 LYS A 22 33.311 67.759 -38.886 1.00 0.00 H new ATOM 0 HE2 LYS A 22 32.772 69.802 -37.971 1.00 0.00 H new ATOM 0 HE3 LYS A 22 32.566 70.557 -39.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 30.461 70.416 -38.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 30.403 69.459 -39.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 30.602 68.728 -38.234 1.00 0.00 H new ATOM 379 N GLY A 23 33.373 64.581 -42.090 1.00 0.00 N ATOM 380 CA GLY A 23 32.399 63.509 -42.428 1.00 0.00 C ATOM 381 C GLY A 23 33.167 62.243 -42.774 1.00 0.00 C ATOM 382 O GLY A 23 33.203 61.299 -42.009 1.00 0.00 O ATOM 0 H GLY A 23 34.141 64.298 -41.481 1.00 0.00 H new ATOM 0 HA2 GLY A 23 31.730 63.327 -41.587 1.00 0.00 H new ATOM 0 HA3 GLY A 23 31.777 63.815 -43.269 1.00 0.00 H new ATOM 386 N ASP A 24 33.806 62.220 -43.908 1.00 0.00 N ATOM 387 CA ASP A 24 34.593 61.017 -44.273 1.00 0.00 C ATOM 388 C ASP A 24 35.560 60.734 -43.132 1.00 0.00 C ATOM 389 O ASP A 24 36.271 61.606 -42.690 1.00 0.00 O ATOM 390 CB ASP A 24 35.385 61.285 -45.552 1.00 0.00 C ATOM 391 CG ASP A 24 34.422 61.590 -46.701 1.00 0.00 C ATOM 392 OD1 ASP A 24 33.663 62.537 -46.576 1.00 0.00 O ATOM 393 OD2 ASP A 24 34.462 60.872 -47.687 1.00 0.00 O ATOM 0 H ASP A 24 33.817 62.977 -44.592 1.00 0.00 H new ATOM 0 HA ASP A 24 33.932 60.167 -44.441 1.00 0.00 H new ATOM 0 HB2 ASP A 24 36.064 62.124 -45.401 1.00 0.00 H new ATOM 0 HB3 ASP A 24 35.999 60.419 -45.799 1.00 0.00 H new ATOM 398 N GLU A 25 35.593 59.534 -42.645 1.00 0.00 N ATOM 399 CA GLU A 25 36.523 59.226 -41.523 1.00 0.00 C ATOM 400 C GLU A 25 37.904 58.907 -42.088 1.00 0.00 C ATOM 401 O GLU A 25 38.100 58.854 -43.286 1.00 0.00 O ATOM 402 CB GLU A 25 35.997 58.024 -40.736 1.00 0.00 C ATOM 403 CG GLU A 25 34.553 58.290 -40.302 1.00 0.00 C ATOM 404 CD GLU A 25 33.644 57.186 -40.846 1.00 0.00 C ATOM 405 OE1 GLU A 25 33.620 56.121 -40.252 1.00 0.00 O ATOM 406 OE2 GLU A 25 32.987 57.426 -41.845 1.00 0.00 O ATOM 0 H GLU A 25 35.022 58.753 -42.969 1.00 0.00 H new ATOM 0 HA GLU A 25 36.592 60.087 -40.858 1.00 0.00 H new ATOM 0 HB2 GLU A 25 36.043 57.125 -41.351 1.00 0.00 H new ATOM 0 HB3 GLU A 25 36.624 57.846 -39.862 1.00 0.00 H new ATOM 0 HG2 GLU A 25 34.490 58.325 -39.214 1.00 0.00 H new ATOM 0 HG3 GLU A 25 34.224 59.261 -40.672 1.00 0.00 H new ATOM 413 N TYR A 26 38.866 58.713 -41.234 1.00 0.00 N ATOM 414 CA TYR A 26 40.237 58.418 -41.717 1.00 0.00 C ATOM 415 C TYR A 26 40.785 57.198 -40.968 1.00 0.00 C ATOM 416 O TYR A 26 40.825 57.165 -39.754 1.00 0.00 O ATOM 417 CB TYR A 26 41.126 59.643 -41.463 1.00 0.00 C ATOM 418 CG TYR A 26 40.490 60.870 -42.084 1.00 0.00 C ATOM 419 CD1 TYR A 26 39.239 61.328 -41.643 1.00 0.00 C ATOM 420 CD2 TYR A 26 41.145 61.541 -43.122 1.00 0.00 C ATOM 421 CE1 TYR A 26 38.657 62.446 -42.245 1.00 0.00 C ATOM 422 CE2 TYR A 26 40.561 62.664 -43.714 1.00 0.00 C ATOM 423 CZ TYR A 26 39.315 63.114 -43.279 1.00 0.00 C ATOM 424 OH TYR A 26 38.732 64.213 -43.874 1.00 0.00 O ATOM 0 H TYR A 26 38.760 58.746 -40.220 1.00 0.00 H new ATOM 0 HA TYR A 26 40.223 58.199 -42.785 1.00 0.00 H new ATOM 0 HB2 TYR A 26 41.259 59.793 -40.392 1.00 0.00 H new ATOM 0 HB3 TYR A 26 42.117 59.480 -41.887 1.00 0.00 H new ATOM 0 HD1 TYR A 26 38.728 60.817 -40.840 1.00 0.00 H new ATOM 0 HD2 TYR A 26 42.106 61.190 -43.467 1.00 0.00 H new ATOM 0 HE1 TYR A 26 37.692 62.796 -41.908 1.00 0.00 H new ATOM 0 HE2 TYR A 26 41.075 63.184 -44.509 1.00 0.00 H new ATOM 0 HH TYR A 26 38.750 64.106 -44.848 1.00 0.00 H new ATOM 434 N PHE A 27 41.205 56.193 -41.688 1.00 0.00 N ATOM 435 CA PHE A 27 41.750 54.971 -41.032 1.00 0.00 C ATOM 436 C PHE A 27 43.258 55.123 -40.891 1.00 0.00 C ATOM 437 O PHE A 27 43.934 55.551 -41.805 1.00 0.00 O ATOM 438 CB PHE A 27 41.436 53.742 -41.889 1.00 0.00 C ATOM 439 CG PHE A 27 41.583 52.494 -41.051 1.00 0.00 C ATOM 440 CD1 PHE A 27 42.835 52.139 -40.536 1.00 0.00 C ATOM 441 CD2 PHE A 27 40.466 51.691 -40.787 1.00 0.00 C ATOM 442 CE1 PHE A 27 42.972 50.982 -39.760 1.00 0.00 C ATOM 443 CE2 PHE A 27 40.602 50.534 -40.011 1.00 0.00 C ATOM 444 CZ PHE A 27 41.856 50.180 -39.497 1.00 0.00 C ATOM 0 H PHE A 27 41.194 56.166 -42.708 1.00 0.00 H new ATOM 0 HA PHE A 27 41.295 54.844 -40.049 1.00 0.00 H new ATOM 0 HB2 PHE A 27 40.423 53.810 -42.284 1.00 0.00 H new ATOM 0 HB3 PHE A 27 42.110 53.700 -42.745 1.00 0.00 H new ATOM 0 HD1 PHE A 27 43.696 52.758 -40.738 1.00 0.00 H new ATOM 0 HD2 PHE A 27 39.499 51.965 -41.183 1.00 0.00 H new ATOM 0 HE1 PHE A 27 43.939 50.708 -39.364 1.00 0.00 H new ATOM 0 HE2 PHE A 27 39.741 49.915 -39.809 1.00 0.00 H new ATOM 0 HZ PHE A 27 41.962 49.288 -38.898 1.00 0.00 H new ATOM 454 N ILE A 28 43.791 54.799 -39.751 1.00 0.00 N ATOM 455 CA ILE A 28 45.252 54.958 -39.557 1.00 0.00 C ATOM 456 C ILE A 28 46.015 53.788 -40.151 1.00 0.00 C ATOM 457 O ILE A 28 46.242 52.778 -39.516 1.00 0.00 O ATOM 458 CB ILE A 28 45.566 55.074 -38.073 1.00 0.00 C ATOM 459 CG1 ILE A 28 44.554 56.014 -37.401 1.00 0.00 C ATOM 460 CG2 ILE A 28 46.981 55.632 -37.916 1.00 0.00 C ATOM 461 CD1 ILE A 28 44.132 57.137 -38.363 1.00 0.00 C ATOM 0 H ILE A 28 43.280 54.432 -38.948 1.00 0.00 H new ATOM 0 HA ILE A 28 45.565 55.867 -40.071 1.00 0.00 H new ATOM 0 HB ILE A 28 45.501 54.094 -37.600 1.00 0.00 H new ATOM 0 HG12 ILE A 28 43.677 55.448 -37.088 1.00 0.00 H new ATOM 0 HG13 ILE A 28 44.993 56.445 -36.501 1.00 0.00 H new ATOM 0 HG21 ILE A 28 47.221 55.721 -36.857 1.00 0.00 H new ATOM 0 HG22 ILE A 28 47.693 54.959 -38.394 1.00 0.00 H new ATOM 0 HG23 ILE A 28 47.039 56.614 -38.385 1.00 0.00 H new ATOM 0 HD11 ILE A 28 43.415 57.791 -37.867 1.00 0.00 H new ATOM 0 HD12 ILE A 28 45.009 57.715 -38.655 1.00 0.00 H new ATOM 0 HD13 ILE A 28 43.672 56.702 -39.251 1.00 0.00 H new ATOM 473 N LEU A 29 46.443 53.946 -41.363 1.00 0.00 N ATOM 474 CA LEU A 29 47.232 52.893 -42.031 1.00 0.00 C ATOM 475 C LEU A 29 48.564 52.753 -41.300 1.00 0.00 C ATOM 476 O LEU A 29 49.312 51.821 -41.514 1.00 0.00 O ATOM 477 CB LEU A 29 47.484 53.337 -43.466 1.00 0.00 C ATOM 478 CG LEU A 29 46.216 53.140 -44.288 1.00 0.00 C ATOM 479 CD1 LEU A 29 45.055 53.890 -43.630 1.00 0.00 C ATOM 480 CD2 LEU A 29 46.446 53.689 -45.694 1.00 0.00 C ATOM 0 H LEU A 29 46.275 54.778 -41.929 1.00 0.00 H new ATOM 0 HA LEU A 29 46.706 51.939 -42.020 1.00 0.00 H new ATOM 0 HB2 LEU A 29 47.785 54.385 -43.487 1.00 0.00 H new ATOM 0 HB3 LEU A 29 48.303 52.762 -43.898 1.00 0.00 H new ATOM 0 HG LEU A 29 45.973 52.079 -44.340 1.00 0.00 H new ATOM 0 HD11 LEU A 29 44.149 53.748 -44.220 1.00 0.00 H new ATOM 0 HD12 LEU A 29 44.897 53.504 -42.623 1.00 0.00 H new ATOM 0 HD13 LEU A 29 45.291 54.953 -43.578 1.00 0.00 H new ATOM 0 HD21 LEU A 29 45.544 53.552 -46.290 1.00 0.00 H new ATOM 0 HD22 LEU A 29 46.685 54.751 -45.635 1.00 0.00 H new ATOM 0 HD23 LEU A 29 47.274 53.156 -46.162 1.00 0.00 H new ATOM 492 N GLU A 30 48.865 53.688 -40.437 1.00 0.00 N ATOM 493 CA GLU A 30 50.152 53.627 -39.689 1.00 0.00 C ATOM 494 C GLU A 30 49.987 54.336 -38.338 1.00 0.00 C ATOM 495 O GLU A 30 49.026 54.110 -37.630 1.00 0.00 O ATOM 496 CB GLU A 30 51.245 54.311 -40.517 1.00 0.00 C ATOM 497 CG GLU A 30 52.617 53.780 -40.096 1.00 0.00 C ATOM 498 CD GLU A 30 53.431 53.425 -41.342 1.00 0.00 C ATOM 499 OE1 GLU A 30 52.823 53.184 -42.372 1.00 0.00 O ATOM 500 OE2 GLU A 30 54.647 53.399 -41.244 1.00 0.00 O ATOM 0 H GLU A 30 48.274 54.490 -40.219 1.00 0.00 H new ATOM 0 HA GLU A 30 50.434 52.589 -39.512 1.00 0.00 H new ATOM 0 HB2 GLU A 30 51.082 54.124 -41.578 1.00 0.00 H new ATOM 0 HB3 GLU A 30 51.202 55.391 -40.373 1.00 0.00 H new ATOM 0 HG2 GLU A 30 53.144 54.530 -39.506 1.00 0.00 H new ATOM 0 HG3 GLU A 30 52.500 52.901 -39.462 1.00 0.00 H new ATOM 507 N GLU A 31 50.907 55.190 -37.968 1.00 0.00 N ATOM 508 CA GLU A 31 50.777 55.898 -36.662 1.00 0.00 C ATOM 509 C GLU A 31 52.108 56.566 -36.306 1.00 0.00 C ATOM 510 O GLU A 31 53.035 56.583 -37.092 1.00 0.00 O ATOM 511 CB GLU A 31 50.408 54.890 -35.571 1.00 0.00 C ATOM 512 CG GLU A 31 48.954 55.108 -35.143 1.00 0.00 C ATOM 513 CD GLU A 31 48.897 55.353 -33.634 1.00 0.00 C ATOM 514 OE1 GLU A 31 49.647 56.191 -33.161 1.00 0.00 O ATOM 515 OE2 GLU A 31 48.104 54.698 -32.977 1.00 0.00 O ATOM 0 H GLU A 31 51.738 55.426 -38.511 1.00 0.00 H new ATOM 0 HA GLU A 31 49.998 56.657 -36.738 1.00 0.00 H new ATOM 0 HB2 GLU A 31 50.541 53.873 -35.941 1.00 0.00 H new ATOM 0 HB3 GLU A 31 51.072 55.007 -34.714 1.00 0.00 H new ATOM 0 HG2 GLU A 31 48.531 55.959 -35.676 1.00 0.00 H new ATOM 0 HG3 GLU A 31 48.353 54.237 -35.404 1.00 0.00 H new ATOM 522 N SER A 32 52.209 57.116 -35.127 1.00 0.00 N ATOM 523 CA SER A 32 53.479 57.781 -34.717 1.00 0.00 C ATOM 524 C SER A 32 53.223 58.649 -33.482 1.00 0.00 C ATOM 525 O SER A 32 52.111 58.753 -33.006 1.00 0.00 O ATOM 526 CB SER A 32 53.987 58.660 -35.861 1.00 0.00 C ATOM 527 OG SER A 32 55.228 58.147 -36.331 1.00 0.00 O ATOM 0 H SER A 32 51.466 57.134 -34.429 1.00 0.00 H new ATOM 0 HA SER A 32 54.227 57.024 -34.482 1.00 0.00 H new ATOM 0 HB2 SER A 32 53.258 58.680 -36.671 1.00 0.00 H new ATOM 0 HB3 SER A 32 54.111 59.687 -35.518 1.00 0.00 H new ATOM 0 HG SER A 32 55.072 57.316 -36.827 1.00 0.00 H new ATOM 533 N ASN A 33 54.245 59.273 -32.962 1.00 0.00 N ATOM 534 CA ASN A 33 54.058 60.133 -31.759 1.00 0.00 C ATOM 535 C ASN A 33 53.298 61.401 -32.154 1.00 0.00 C ATOM 536 O ASN A 33 52.367 61.810 -31.491 1.00 0.00 O ATOM 537 CB ASN A 33 55.423 60.514 -31.182 1.00 0.00 C ATOM 538 CG ASN A 33 56.338 60.996 -32.309 1.00 0.00 C ATOM 539 OD1 ASN A 33 55.923 61.083 -33.448 1.00 0.00 O ATOM 540 ND2 ASN A 33 57.573 61.316 -32.039 1.00 0.00 N ATOM 0 H ASN A 33 55.200 59.225 -33.318 1.00 0.00 H new ATOM 0 HA ASN A 33 53.489 59.586 -31.007 1.00 0.00 H new ATOM 0 HB2 ASN A 33 55.307 61.298 -30.433 1.00 0.00 H new ATOM 0 HB3 ASN A 33 55.869 59.656 -30.679 1.00 0.00 H new ATOM 0 HD21 ASN A 33 58.191 61.639 -32.784 1.00 0.00 H new ATOM 0 HD22 ASN A 33 57.921 61.243 -31.083 1.00 0.00 H new ATOM 547 N LEU A 34 53.690 62.025 -33.233 1.00 0.00 N ATOM 548 CA LEU A 34 52.992 63.265 -33.679 1.00 0.00 C ATOM 549 C LEU A 34 51.479 63.075 -33.531 1.00 0.00 C ATOM 550 O LEU A 34 51.008 61.962 -33.397 1.00 0.00 O ATOM 551 CB LEU A 34 53.336 63.535 -35.146 1.00 0.00 C ATOM 552 CG LEU A 34 54.719 64.184 -35.237 1.00 0.00 C ATOM 553 CD1 LEU A 34 55.474 63.612 -36.439 1.00 0.00 C ATOM 554 CD2 LEU A 34 54.564 65.697 -35.408 1.00 0.00 C ATOM 0 H LEU A 34 54.465 61.728 -33.826 1.00 0.00 H new ATOM 0 HA LEU A 34 53.312 64.110 -33.069 1.00 0.00 H new ATOM 0 HB2 LEU A 34 53.323 62.603 -35.711 1.00 0.00 H new ATOM 0 HB3 LEU A 34 52.586 64.189 -35.592 1.00 0.00 H new ATOM 0 HG LEU A 34 55.277 63.976 -34.324 1.00 0.00 H new ATOM 0 HD11 LEU A 34 56.459 64.074 -36.504 1.00 0.00 H new ATOM 0 HD12 LEU A 34 55.586 62.534 -36.319 1.00 0.00 H new ATOM 0 HD13 LEU A 34 54.915 63.819 -37.352 1.00 0.00 H new ATOM 0 HD21 LEU A 34 55.549 66.159 -35.473 1.00 0.00 H new ATOM 0 HD22 LEU A 34 54.005 65.905 -36.321 1.00 0.00 H new ATOM 0 HD23 LEU A 34 54.027 66.107 -34.553 1.00 0.00 H new ATOM 566 N PRO A 35 50.761 64.168 -33.561 1.00 0.00 N ATOM 567 CA PRO A 35 49.294 64.153 -33.432 1.00 0.00 C ATOM 568 C PRO A 35 48.653 63.691 -34.741 1.00 0.00 C ATOM 569 O PRO A 35 47.497 63.318 -34.783 1.00 0.00 O ATOM 570 CB PRO A 35 48.943 65.610 -33.124 1.00 0.00 C ATOM 571 CG PRO A 35 50.126 66.462 -33.639 1.00 0.00 C ATOM 572 CD PRO A 35 51.340 65.518 -33.730 1.00 0.00 C ATOM 0 HA PRO A 35 48.934 63.469 -32.663 1.00 0.00 H new ATOM 0 HB2 PRO A 35 48.014 65.898 -33.616 1.00 0.00 H new ATOM 0 HB3 PRO A 35 48.796 65.756 -32.054 1.00 0.00 H new ATOM 0 HG2 PRO A 35 49.897 66.894 -34.613 1.00 0.00 H new ATOM 0 HG3 PRO A 35 50.330 67.292 -32.962 1.00 0.00 H new ATOM 0 HD2 PRO A 35 51.850 65.616 -34.688 1.00 0.00 H new ATOM 0 HD3 PRO A 35 52.074 65.737 -32.955 1.00 0.00 H new ATOM 579 N TRP A 36 49.400 63.703 -35.811 1.00 0.00 N ATOM 580 CA TRP A 36 48.839 63.255 -37.115 1.00 0.00 C ATOM 581 C TRP A 36 49.499 61.936 -37.513 1.00 0.00 C ATOM 582 O TRP A 36 50.563 61.598 -37.034 1.00 0.00 O ATOM 583 CB TRP A 36 49.120 64.312 -38.186 1.00 0.00 C ATOM 584 CG TRP A 36 50.596 64.514 -38.311 1.00 0.00 C ATOM 585 CD1 TRP A 36 51.331 65.357 -37.551 1.00 0.00 C ATOM 586 CD2 TRP A 36 51.527 63.877 -39.234 1.00 0.00 C ATOM 587 NE1 TRP A 36 52.653 65.280 -37.949 1.00 0.00 N ATOM 588 CE2 TRP A 36 52.825 64.382 -38.984 1.00 0.00 C ATOM 589 CE3 TRP A 36 51.372 62.921 -40.255 1.00 0.00 C ATOM 590 CZ2 TRP A 36 53.930 63.952 -39.718 1.00 0.00 C ATOM 591 CZ3 TRP A 36 52.483 62.487 -40.997 1.00 0.00 C ATOM 592 CH2 TRP A 36 53.759 63.002 -40.729 1.00 0.00 C ATOM 0 H TRP A 36 50.374 64.004 -35.838 1.00 0.00 H new ATOM 0 HA TRP A 36 47.762 63.116 -37.024 1.00 0.00 H new ATOM 0 HB2 TRP A 36 48.703 63.996 -39.142 1.00 0.00 H new ATOM 0 HB3 TRP A 36 48.635 65.251 -37.921 1.00 0.00 H new ATOM 0 HD1 TRP A 36 50.948 65.987 -36.762 1.00 0.00 H new ATOM 0 HE1 TRP A 36 53.409 65.821 -37.529 1.00 0.00 H new ATOM 0 HE3 TRP A 36 50.393 62.519 -40.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 54.911 64.350 -39.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 52.353 61.753 -41.778 1.00 0.00 H new ATOM 0 HH2 TRP A 36 54.609 62.665 -41.303 1.00 0.00 H new ATOM 603 N TRP A 37 48.883 61.186 -38.383 1.00 0.00 N ATOM 604 CA TRP A 37 49.494 59.892 -38.794 1.00 0.00 C ATOM 605 C TRP A 37 49.400 59.753 -40.312 1.00 0.00 C ATOM 606 O TRP A 37 49.231 60.721 -41.018 1.00 0.00 O ATOM 607 CB TRP A 37 48.757 58.742 -38.098 1.00 0.00 C ATOM 608 CG TRP A 37 49.062 58.784 -36.634 1.00 0.00 C ATOM 609 CD1 TRP A 37 50.274 59.066 -36.106 1.00 0.00 C ATOM 610 CD2 TRP A 37 48.169 58.544 -35.508 1.00 0.00 C ATOM 611 NE1 TRP A 37 50.184 59.014 -34.726 1.00 0.00 N ATOM 612 CE2 TRP A 37 48.906 58.695 -34.310 1.00 0.00 C ATOM 613 CE3 TRP A 37 46.806 58.211 -35.409 1.00 0.00 C ATOM 614 CZ2 TRP A 37 48.313 58.524 -33.059 1.00 0.00 C ATOM 615 CZ3 TRP A 37 46.206 58.038 -34.152 1.00 0.00 C ATOM 616 CH2 TRP A 37 46.958 58.195 -32.979 1.00 0.00 C ATOM 0 H TRP A 37 47.991 61.410 -38.824 1.00 0.00 H new ATOM 0 HA TRP A 37 50.544 59.861 -38.503 1.00 0.00 H new ATOM 0 HB2 TRP A 37 47.683 58.829 -38.262 1.00 0.00 H new ATOM 0 HB3 TRP A 37 49.067 57.786 -38.520 1.00 0.00 H new ATOM 0 HD1 TRP A 37 51.167 59.295 -36.669 1.00 0.00 H new ATOM 0 HE1 TRP A 37 50.965 59.190 -34.094 1.00 0.00 H new ATOM 0 HE3 TRP A 37 46.217 58.088 -36.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 48.897 58.645 -32.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 45.159 57.782 -34.088 1.00 0.00 H new ATOM 0 HH2 TRP A 37 46.490 58.062 -32.015 1.00 0.00 H new ATOM 627 N ARG A 38 49.498 58.560 -40.817 1.00 0.00 N ATOM 628 CA ARG A 38 49.406 58.358 -42.287 1.00 0.00 C ATOM 629 C ARG A 38 48.145 57.558 -42.552 1.00 0.00 C ATOM 630 O ARG A 38 48.183 56.370 -42.803 1.00 0.00 O ATOM 631 CB ARG A 38 50.628 57.584 -42.787 1.00 0.00 C ATOM 632 CG ARG A 38 51.830 58.527 -42.881 1.00 0.00 C ATOM 633 CD ARG A 38 53.090 57.797 -42.412 1.00 0.00 C ATOM 634 NE ARG A 38 54.097 57.788 -43.510 1.00 0.00 N ATOM 635 CZ ARG A 38 55.170 57.053 -43.405 1.00 0.00 C ATOM 636 NH1 ARG A 38 56.350 57.611 -43.434 1.00 0.00 N ATOM 637 NH2 ARG A 38 55.065 55.758 -43.271 1.00 0.00 N ATOM 0 H ARG A 38 49.639 57.709 -40.272 1.00 0.00 H new ATOM 0 HA ARG A 38 49.375 59.315 -42.807 1.00 0.00 H new ATOM 0 HB2 ARG A 38 50.852 56.760 -42.109 1.00 0.00 H new ATOM 0 HB3 ARG A 38 50.419 57.146 -43.763 1.00 0.00 H new ATOM 0 HG2 ARG A 38 51.957 58.870 -43.908 1.00 0.00 H new ATOM 0 HG3 ARG A 38 51.660 59.412 -42.268 1.00 0.00 H new ATOM 0 HD2 ARG A 38 53.502 58.289 -41.531 1.00 0.00 H new ATOM 0 HD3 ARG A 38 52.844 56.776 -42.121 1.00 0.00 H new ATOM 0 HE ARG A 38 53.948 58.356 -44.344 1.00 0.00 H new ATOM 0 HH11 ARG A 38 56.434 58.622 -43.539 1.00 0.00 H new ATOM 0 HH12 ARG A 38 57.188 57.036 -43.352 1.00 0.00 H new ATOM 0 HH21 ARG A 38 54.144 55.321 -43.248 1.00 0.00 H new ATOM 0 HH22 ARG A 38 55.904 55.184 -43.189 1.00 0.00 H new ATOM 651 N ALA A 39 47.023 58.199 -42.454 1.00 0.00 N ATOM 652 CA ALA A 39 45.741 57.486 -42.651 1.00 0.00 C ATOM 653 C ALA A 39 45.177 57.782 -44.036 1.00 0.00 C ATOM 654 O ALA A 39 45.600 58.695 -44.710 1.00 0.00 O ATOM 655 CB ALA A 39 44.758 57.975 -41.588 1.00 0.00 C ATOM 0 H ALA A 39 46.938 59.194 -42.244 1.00 0.00 H new ATOM 0 HA ALA A 39 45.900 56.411 -42.565 1.00 0.00 H new ATOM 0 HB1 ALA A 39 43.804 57.463 -41.712 1.00 0.00 H new ATOM 0 HB2 ALA A 39 45.158 57.761 -40.597 1.00 0.00 H new ATOM 0 HB3 ALA A 39 44.610 59.050 -41.696 1.00 0.00 H new ATOM 661 N ARG A 40 44.209 57.016 -44.453 1.00 0.00 N ATOM 662 CA ARG A 40 43.590 57.250 -45.784 1.00 0.00 C ATOM 663 C ARG A 40 42.140 57.683 -45.568 1.00 0.00 C ATOM 664 O ARG A 40 41.293 56.888 -45.214 1.00 0.00 O ATOM 665 CB ARG A 40 43.624 55.960 -46.604 1.00 0.00 C ATOM 666 CG ARG A 40 42.795 56.144 -47.876 1.00 0.00 C ATOM 667 CD ARG A 40 43.137 55.036 -48.872 1.00 0.00 C ATOM 668 NE ARG A 40 42.211 53.886 -48.672 1.00 0.00 N ATOM 669 CZ ARG A 40 42.281 52.848 -49.459 1.00 0.00 C ATOM 670 NH1 ARG A 40 43.443 52.411 -49.861 1.00 0.00 N ATOM 671 NH2 ARG A 40 41.188 52.249 -49.845 1.00 0.00 N ATOM 0 H ARG A 40 43.819 56.235 -43.926 1.00 0.00 H new ATOM 0 HA ARG A 40 44.139 58.023 -46.323 1.00 0.00 H new ATOM 0 HB2 ARG A 40 44.653 55.706 -46.861 1.00 0.00 H new ATOM 0 HB3 ARG A 40 43.229 55.132 -46.016 1.00 0.00 H new ATOM 0 HG2 ARG A 40 41.732 56.117 -47.637 1.00 0.00 H new ATOM 0 HG3 ARG A 40 42.998 57.120 -48.317 1.00 0.00 H new ATOM 0 HD2 ARG A 40 43.054 55.411 -49.892 1.00 0.00 H new ATOM 0 HD3 ARG A 40 44.169 54.714 -48.734 1.00 0.00 H new ATOM 0 HE ARG A 40 41.522 53.910 -47.920 1.00 0.00 H new ATOM 0 HH11 ARG A 40 44.297 52.881 -49.560 1.00 0.00 H new ATOM 0 HH12 ARG A 40 43.498 51.599 -50.476 1.00 0.00 H new ATOM 0 HH21 ARG A 40 40.280 52.592 -49.531 1.00 0.00 H new ATOM 0 HH22 ARG A 40 41.241 51.437 -50.460 1.00 0.00 H new ATOM 685 N ASP A 41 41.851 58.937 -45.760 1.00 0.00 N ATOM 686 CA ASP A 41 40.456 59.415 -45.547 1.00 0.00 C ATOM 687 C ASP A 41 39.481 58.482 -46.260 1.00 0.00 C ATOM 688 O ASP A 41 39.874 57.555 -46.940 1.00 0.00 O ATOM 689 CB ASP A 41 40.305 60.825 -46.109 1.00 0.00 C ATOM 690 CG ASP A 41 40.553 60.805 -47.619 1.00 0.00 C ATOM 691 OD1 ASP A 41 40.730 59.724 -48.156 1.00 0.00 O ATOM 692 OD2 ASP A 41 40.561 61.871 -48.212 1.00 0.00 O ATOM 0 H ASP A 41 42.517 59.651 -46.054 1.00 0.00 H new ATOM 0 HA ASP A 41 40.239 59.423 -44.479 1.00 0.00 H new ATOM 0 HB2 ASP A 41 39.305 61.206 -45.899 1.00 0.00 H new ATOM 0 HB3 ASP A 41 41.011 61.499 -45.623 1.00 0.00 H new ATOM 697 N LYS A 42 38.211 58.724 -46.115 1.00 0.00 N ATOM 698 CA LYS A 42 37.209 57.855 -46.792 1.00 0.00 C ATOM 699 C LYS A 42 37.229 58.147 -48.295 1.00 0.00 C ATOM 700 O LYS A 42 36.599 57.465 -49.079 1.00 0.00 O ATOM 701 CB LYS A 42 35.814 58.137 -46.229 1.00 0.00 C ATOM 702 CG LYS A 42 35.017 56.832 -46.151 1.00 0.00 C ATOM 703 CD LYS A 42 35.378 56.084 -44.866 1.00 0.00 C ATOM 704 CE LYS A 42 34.257 55.103 -44.514 1.00 0.00 C ATOM 705 NZ LYS A 42 34.831 53.745 -44.303 1.00 0.00 N ATOM 0 H LYS A 42 37.822 59.485 -45.558 1.00 0.00 H new ATOM 0 HA LYS A 42 37.455 56.808 -46.618 1.00 0.00 H new ATOM 0 HB2 LYS A 42 35.894 58.585 -45.239 1.00 0.00 H new ATOM 0 HB3 LYS A 42 35.294 58.855 -46.863 1.00 0.00 H new ATOM 0 HG2 LYS A 42 33.948 57.045 -46.171 1.00 0.00 H new ATOM 0 HG3 LYS A 42 35.234 56.209 -47.019 1.00 0.00 H new ATOM 0 HD2 LYS A 42 36.318 55.547 -44.997 1.00 0.00 H new ATOM 0 HD3 LYS A 42 35.526 56.792 -44.050 1.00 0.00 H new ATOM 0 HE2 LYS A 42 33.739 55.434 -43.614 1.00 0.00 H new ATOM 0 HE3 LYS A 42 33.518 55.076 -45.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 34.069 53.079 -44.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 35.306 53.430 -45.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 35.520 53.776 -43.525 1.00 0.00 H new ATOM 719 N ASN A 43 37.957 59.155 -48.701 1.00 0.00 N ATOM 720 CA ASN A 43 38.026 59.489 -50.151 1.00 0.00 C ATOM 721 C ASN A 43 39.023 58.554 -50.838 1.00 0.00 C ATOM 722 O ASN A 43 39.308 58.690 -52.011 1.00 0.00 O ATOM 723 CB ASN A 43 38.489 60.938 -50.318 1.00 0.00 C ATOM 724 CG ASN A 43 37.485 61.698 -51.187 1.00 0.00 C ATOM 725 OD1 ASN A 43 36.373 61.953 -50.770 1.00 0.00 O ATOM 726 ND2 ASN A 43 37.834 62.073 -52.388 1.00 0.00 N ATOM 0 H ASN A 43 38.506 59.760 -48.090 1.00 0.00 H new ATOM 0 HA ASN A 43 37.041 59.368 -50.602 1.00 0.00 H new ATOM 0 HB2 ASN A 43 38.578 61.417 -49.343 1.00 0.00 H new ATOM 0 HB3 ASN A 43 39.477 60.965 -50.778 1.00 0.00 H new ATOM 0 HD21 ASN A 43 37.173 62.580 -52.976 1.00 0.00 H new ATOM 0 HD22 ASN A 43 38.768 61.859 -52.738 1.00 0.00 H new ATOM 733 N GLY A 44 39.559 57.609 -50.115 1.00 0.00 N ATOM 734 CA GLY A 44 40.537 56.669 -50.728 1.00 0.00 C ATOM 735 C GLY A 44 41.842 57.411 -51.016 1.00 0.00 C ATOM 736 O GLY A 44 42.445 57.239 -52.057 1.00 0.00 O ATOM 0 H GLY A 44 39.362 57.448 -49.127 1.00 0.00 H new ATOM 0 HA2 GLY A 44 40.723 55.831 -50.056 1.00 0.00 H new ATOM 0 HA3 GLY A 44 40.130 56.254 -51.650 1.00 0.00 H new ATOM 740 N GLN A 45 42.285 58.234 -50.105 1.00 0.00 N ATOM 741 CA GLN A 45 43.547 58.977 -50.331 1.00 0.00 C ATOM 742 C GLN A 45 44.397 58.883 -49.071 1.00 0.00 C ATOM 743 O GLN A 45 43.993 59.317 -48.010 1.00 0.00 O ATOM 744 CB GLN A 45 43.229 60.443 -50.626 1.00 0.00 C ATOM 745 CG GLN A 45 44.119 60.938 -51.767 1.00 0.00 C ATOM 746 CD GLN A 45 44.870 62.195 -51.325 1.00 0.00 C ATOM 747 OE1 GLN A 45 44.333 63.285 -51.372 1.00 0.00 O ATOM 748 NE2 GLN A 45 46.097 62.091 -50.891 1.00 0.00 N ATOM 0 H GLN A 45 41.824 58.421 -49.215 1.00 0.00 H new ATOM 0 HA GLN A 45 44.086 58.551 -51.177 1.00 0.00 H new ATOM 0 HB2 GLN A 45 42.179 60.551 -50.897 1.00 0.00 H new ATOM 0 HB3 GLN A 45 43.392 61.048 -49.734 1.00 0.00 H new ATOM 0 HG2 GLN A 45 44.828 60.160 -52.052 1.00 0.00 H new ATOM 0 HG3 GLN A 45 43.513 61.155 -52.646 1.00 0.00 H new ATOM 0 HE21 GLN A 45 46.548 61.177 -50.851 1.00 0.00 H new ATOM 0 HE22 GLN A 45 46.604 62.924 -50.592 1.00 0.00 H new ATOM 757 N GLU A 46 45.565 58.316 -49.172 1.00 0.00 N ATOM 758 CA GLU A 46 46.438 58.197 -47.974 1.00 0.00 C ATOM 759 C GLU A 46 47.154 59.527 -47.754 1.00 0.00 C ATOM 760 O GLU A 46 47.685 60.115 -48.674 1.00 0.00 O ATOM 761 CB GLU A 46 47.462 57.084 -48.201 1.00 0.00 C ATOM 762 CG GLU A 46 46.778 55.905 -48.894 1.00 0.00 C ATOM 763 CD GLU A 46 47.754 54.731 -48.992 1.00 0.00 C ATOM 764 OE1 GLU A 46 48.644 54.655 -48.160 1.00 0.00 O ATOM 765 OE2 GLU A 46 47.596 53.929 -49.897 1.00 0.00 O ATOM 0 H GLU A 46 45.953 57.930 -50.033 1.00 0.00 H new ATOM 0 HA GLU A 46 45.840 57.955 -47.096 1.00 0.00 H new ATOM 0 HB2 GLU A 46 48.287 57.451 -48.812 1.00 0.00 H new ATOM 0 HB3 GLU A 46 47.887 56.765 -47.249 1.00 0.00 H new ATOM 0 HG2 GLU A 46 45.890 55.607 -48.336 1.00 0.00 H new ATOM 0 HG3 GLU A 46 46.445 56.199 -49.890 1.00 0.00 H new ATOM 772 N GLY A 47 47.163 60.018 -46.546 1.00 0.00 N ATOM 773 CA GLY A 47 47.832 61.318 -46.288 1.00 0.00 C ATOM 774 C GLY A 47 48.033 61.521 -44.787 1.00 0.00 C ATOM 775 O GLY A 47 47.890 60.607 -43.995 1.00 0.00 O ATOM 0 H GLY A 47 46.737 59.576 -45.731 1.00 0.00 H new ATOM 0 HA2 GLY A 47 48.795 61.347 -46.798 1.00 0.00 H new ATOM 0 HA3 GLY A 47 47.231 62.131 -46.695 1.00 0.00 H new ATOM 779 N TYR A 48 48.360 62.721 -44.394 1.00 0.00 N ATOM 780 CA TYR A 48 48.572 63.005 -42.947 1.00 0.00 C ATOM 781 C TYR A 48 47.251 63.452 -42.318 1.00 0.00 C ATOM 782 O TYR A 48 46.468 64.153 -42.928 1.00 0.00 O ATOM 783 CB TYR A 48 49.618 64.112 -42.783 1.00 0.00 C ATOM 784 CG TYR A 48 50.962 63.648 -43.306 1.00 0.00 C ATOM 785 CD1 TYR A 48 51.134 62.332 -43.762 1.00 0.00 C ATOM 786 CD2 TYR A 48 52.041 64.541 -43.332 1.00 0.00 C ATOM 787 CE1 TYR A 48 52.381 61.915 -44.242 1.00 0.00 C ATOM 788 CE2 TYR A 48 53.287 64.121 -43.813 1.00 0.00 C ATOM 789 CZ TYR A 48 53.458 62.809 -44.267 1.00 0.00 C ATOM 790 OH TYR A 48 54.687 62.396 -44.740 1.00 0.00 O ATOM 0 H TYR A 48 48.490 63.520 -45.015 1.00 0.00 H new ATOM 0 HA TYR A 48 48.926 62.102 -42.450 1.00 0.00 H new ATOM 0 HB2 TYR A 48 49.300 65.005 -43.321 1.00 0.00 H new ATOM 0 HB3 TYR A 48 49.705 64.387 -41.732 1.00 0.00 H new ATOM 0 HD1 TYR A 48 50.304 61.641 -43.743 1.00 0.00 H new ATOM 0 HD2 TYR A 48 51.912 65.554 -42.981 1.00 0.00 H new ATOM 0 HE1 TYR A 48 52.512 60.902 -44.594 1.00 0.00 H new ATOM 0 HE2 TYR A 48 54.117 64.811 -43.834 1.00 0.00 H new ATOM 0 HH TYR A 48 55.324 63.139 -44.689 1.00 0.00 H new ATOM 800 N ILE A 49 46.990 63.044 -41.106 1.00 0.00 N ATOM 801 CA ILE A 49 45.712 63.438 -40.446 1.00 0.00 C ATOM 802 C ILE A 49 45.960 63.691 -38.951 1.00 0.00 C ATOM 803 O ILE A 49 46.074 62.758 -38.179 1.00 0.00 O ATOM 804 CB ILE A 49 44.707 62.307 -40.622 1.00 0.00 C ATOM 805 CG1 ILE A 49 44.195 62.303 -42.059 1.00 0.00 C ATOM 806 CG2 ILE A 49 43.533 62.481 -39.658 1.00 0.00 C ATOM 807 CD1 ILE A 49 45.233 61.624 -42.949 1.00 0.00 C ATOM 0 H ILE A 49 47.605 62.456 -40.545 1.00 0.00 H new ATOM 0 HA ILE A 49 45.323 64.351 -40.896 1.00 0.00 H new ATOM 0 HB ILE A 49 45.200 61.359 -40.404 1.00 0.00 H new ATOM 0 HG12 ILE A 49 43.243 61.775 -42.119 1.00 0.00 H new ATOM 0 HG13 ILE A 49 44.016 63.323 -42.399 1.00 0.00 H new ATOM 0 HG21 ILE A 49 42.824 61.665 -39.797 1.00 0.00 H new ATOM 0 HG22 ILE A 49 43.900 62.472 -38.632 1.00 0.00 H new ATOM 0 HG23 ILE A 49 43.036 63.431 -39.857 1.00 0.00 H new ATOM 0 HD11 ILE A 49 44.878 61.615 -43.980 1.00 0.00 H new ATOM 0 HD12 ILE A 49 46.174 62.172 -42.894 1.00 0.00 H new ATOM 0 HD13 ILE A 49 45.389 60.600 -42.610 1.00 0.00 H new ATOM 819 N PRO A 50 46.048 64.952 -38.589 1.00 0.00 N ATOM 820 CA PRO A 50 46.296 65.373 -37.194 1.00 0.00 C ATOM 821 C PRO A 50 45.017 65.295 -36.352 1.00 0.00 C ATOM 822 O PRO A 50 43.983 65.812 -36.726 1.00 0.00 O ATOM 823 CB PRO A 50 46.763 66.823 -37.337 1.00 0.00 C ATOM 824 CG PRO A 50 46.218 67.327 -38.695 1.00 0.00 C ATOM 825 CD PRO A 50 45.914 66.075 -39.540 1.00 0.00 C ATOM 0 HA PRO A 50 47.021 64.736 -36.686 1.00 0.00 H new ATOM 0 HB2 PRO A 50 46.387 67.435 -36.517 1.00 0.00 H new ATOM 0 HB3 PRO A 50 47.851 66.885 -37.308 1.00 0.00 H new ATOM 0 HG2 PRO A 50 45.319 67.926 -38.553 1.00 0.00 H new ATOM 0 HG3 PRO A 50 46.949 67.963 -39.194 1.00 0.00 H new ATOM 0 HD2 PRO A 50 44.912 66.117 -39.967 1.00 0.00 H new ATOM 0 HD3 PRO A 50 46.612 65.977 -40.372 1.00 0.00 H new ATOM 832 N SER A 51 45.086 64.658 -35.211 1.00 0.00 N ATOM 833 CA SER A 51 43.885 64.551 -34.336 1.00 0.00 C ATOM 834 C SER A 51 43.490 65.943 -33.836 1.00 0.00 C ATOM 835 O SER A 51 42.357 66.182 -33.470 1.00 0.00 O ATOM 836 CB SER A 51 44.206 63.656 -33.137 1.00 0.00 C ATOM 837 OG SER A 51 44.527 62.351 -33.598 1.00 0.00 O ATOM 0 H SER A 51 45.926 64.207 -34.849 1.00 0.00 H new ATOM 0 HA SER A 51 43.061 64.120 -34.905 1.00 0.00 H new ATOM 0 HB2 SER A 51 45.041 64.070 -32.572 1.00 0.00 H new ATOM 0 HB3 SER A 51 43.353 63.615 -32.460 1.00 0.00 H new ATOM 0 HG SER A 51 45.162 61.933 -32.980 1.00 0.00 H new ATOM 843 N ASN A 52 44.418 66.863 -33.816 1.00 0.00 N ATOM 844 CA ASN A 52 44.095 68.236 -33.335 1.00 0.00 C ATOM 845 C ASN A 52 42.754 68.681 -33.923 1.00 0.00 C ATOM 846 O ASN A 52 42.034 69.460 -33.331 1.00 0.00 O ATOM 847 CB ASN A 52 45.196 69.205 -33.776 1.00 0.00 C ATOM 848 CG ASN A 52 45.343 69.161 -35.298 1.00 0.00 C ATOM 849 OD1 ASN A 52 44.634 68.440 -35.970 1.00 0.00 O ATOM 850 ND2 ASN A 52 46.242 69.910 -35.875 1.00 0.00 N ATOM 0 H ASN A 52 45.384 66.722 -34.112 1.00 0.00 H new ATOM 0 HA ASN A 52 44.030 68.234 -32.247 1.00 0.00 H new ATOM 0 HB2 ASN A 52 44.953 70.218 -33.454 1.00 0.00 H new ATOM 0 HB3 ASN A 52 46.140 68.938 -33.302 1.00 0.00 H new ATOM 0 HD21 ASN A 52 46.348 69.889 -36.889 1.00 0.00 H new ATOM 0 HD22 ASN A 52 46.838 70.516 -35.312 1.00 0.00 H new ATOM 857 N TYR A 53 42.411 68.187 -35.080 1.00 0.00 N ATOM 858 CA TYR A 53 41.112 68.575 -35.701 1.00 0.00 C ATOM 859 C TYR A 53 40.194 67.354 -35.719 1.00 0.00 C ATOM 860 O TYR A 53 39.237 67.276 -34.979 1.00 0.00 O ATOM 861 CB TYR A 53 41.351 69.057 -37.135 1.00 0.00 C ATOM 862 CG TYR A 53 41.551 70.554 -37.144 1.00 0.00 C ATOM 863 CD1 TYR A 53 42.057 71.202 -36.011 1.00 0.00 C ATOM 864 CD2 TYR A 53 41.230 71.295 -38.289 1.00 0.00 C ATOM 865 CE1 TYR A 53 42.243 72.590 -36.023 1.00 0.00 C ATOM 866 CE2 TYR A 53 41.416 72.683 -38.300 1.00 0.00 C ATOM 867 CZ TYR A 53 41.923 73.330 -37.168 1.00 0.00 C ATOM 868 OH TYR A 53 42.106 74.698 -37.179 1.00 0.00 O ATOM 0 H TYR A 53 42.973 67.532 -35.623 1.00 0.00 H new ATOM 0 HA TYR A 53 40.652 69.379 -35.127 1.00 0.00 H new ATOM 0 HB2 TYR A 53 42.227 68.561 -37.554 1.00 0.00 H new ATOM 0 HB3 TYR A 53 40.502 68.790 -37.764 1.00 0.00 H new ATOM 0 HD1 TYR A 53 42.304 70.632 -35.128 1.00 0.00 H new ATOM 0 HD2 TYR A 53 40.839 70.796 -39.163 1.00 0.00 H new ATOM 0 HE1 TYR A 53 42.633 73.090 -35.149 1.00 0.00 H new ATOM 0 HE2 TYR A 53 41.168 73.254 -39.183 1.00 0.00 H new ATOM 0 HH TYR A 53 41.836 75.057 -38.050 1.00 0.00 H new ATOM 878 N VAL A 54 40.505 66.403 -36.562 1.00 0.00 N ATOM 879 CA VAL A 54 39.700 65.145 -36.673 1.00 0.00 C ATOM 880 C VAL A 54 39.501 64.522 -35.298 1.00 0.00 C ATOM 881 O VAL A 54 39.579 65.179 -34.282 1.00 0.00 O ATOM 882 CB VAL A 54 40.487 64.178 -37.543 1.00 0.00 C ATOM 883 CG1 VAL A 54 40.905 64.894 -38.818 1.00 0.00 C ATOM 884 CG2 VAL A 54 41.722 63.731 -36.775 1.00 0.00 C ATOM 0 H VAL A 54 41.304 66.446 -37.195 1.00 0.00 H new ATOM 0 HA VAL A 54 38.722 65.362 -37.102 1.00 0.00 H new ATOM 0 HB VAL A 54 39.879 63.310 -37.798 1.00 0.00 H new ATOM 0 HG11 VAL A 54 41.471 64.210 -39.451 1.00 0.00 H new ATOM 0 HG12 VAL A 54 40.018 65.233 -39.353 1.00 0.00 H new ATOM 0 HG13 VAL A 54 41.527 65.753 -38.566 1.00 0.00 H new ATOM 0 HG21 VAL A 54 42.298 63.036 -37.386 1.00 0.00 H new ATOM 0 HG22 VAL A 54 42.336 64.599 -36.536 1.00 0.00 H new ATOM 0 HG23 VAL A 54 41.418 63.237 -35.852 1.00 0.00 H new ATOM 894 N THR A 55 39.240 63.250 -35.249 1.00 0.00 N ATOM 895 CA THR A 55 39.035 62.635 -33.925 1.00 0.00 C ATOM 896 C THR A 55 39.003 61.104 -34.017 1.00 0.00 C ATOM 897 O THR A 55 39.864 60.511 -34.612 1.00 0.00 O ATOM 898 CB THR A 55 37.748 63.203 -33.345 1.00 0.00 C ATOM 899 OG1 THR A 55 37.555 62.712 -32.026 1.00 0.00 O ATOM 900 CG2 THR A 55 36.553 62.830 -34.222 1.00 0.00 C ATOM 0 H THR A 55 39.162 62.625 -36.052 1.00 0.00 H new ATOM 0 HA THR A 55 39.869 62.873 -33.264 1.00 0.00 H new ATOM 0 HB THR A 55 37.829 64.290 -33.315 1.00 0.00 H new ATOM 0 HG1 THR A 55 36.623 62.432 -31.914 1.00 0.00 H new ATOM 0 HG21 THR A 55 35.642 63.245 -33.791 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.697 63.234 -35.224 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.467 61.745 -34.277 1.00 0.00 H new ATOM 908 N GLU A 56 38.053 60.453 -33.403 1.00 0.00 N ATOM 909 CA GLU A 56 38.037 58.958 -33.425 1.00 0.00 C ATOM 910 C GLU A 56 39.457 58.444 -33.157 1.00 0.00 C ATOM 911 O GLU A 56 40.030 58.724 -32.124 1.00 0.00 O ATOM 912 CB GLU A 56 37.510 58.425 -34.754 1.00 0.00 C ATOM 913 CG GLU A 56 36.116 58.992 -35.018 1.00 0.00 C ATOM 914 CD GLU A 56 35.066 58.071 -34.394 1.00 0.00 C ATOM 915 OE1 GLU A 56 35.330 56.884 -34.298 1.00 0.00 O ATOM 916 OE2 GLU A 56 34.015 58.569 -34.022 1.00 0.00 O ATOM 0 H GLU A 56 37.288 60.888 -32.888 1.00 0.00 H new ATOM 0 HA GLU A 56 37.363 58.598 -32.648 1.00 0.00 H new ATOM 0 HB2 GLU A 56 38.186 58.704 -35.563 1.00 0.00 H new ATOM 0 HB3 GLU A 56 37.472 57.336 -34.731 1.00 0.00 H new ATOM 0 HG2 GLU A 56 36.033 59.994 -34.597 1.00 0.00 H new ATOM 0 HG3 GLU A 56 35.945 59.082 -36.091 1.00 0.00 H new ATOM 923 N ALA A 57 40.041 57.699 -34.058 1.00 0.00 N ATOM 924 CA ALA A 57 41.420 57.194 -33.805 1.00 0.00 C ATOM 925 C ALA A 57 42.341 58.372 -33.467 1.00 0.00 C ATOM 926 O ALA A 57 42.821 59.068 -34.337 1.00 0.00 O ATOM 927 CB ALA A 57 41.942 56.477 -35.052 1.00 0.00 C ATOM 0 H ALA A 57 39.628 57.421 -34.948 1.00 0.00 H new ATOM 0 HA ALA A 57 41.402 56.495 -32.969 1.00 0.00 H new ATOM 0 HB1 ALA A 57 42.951 56.109 -34.864 1.00 0.00 H new ATOM 0 HB2 ALA A 57 41.288 55.638 -35.290 1.00 0.00 H new ATOM 0 HB3 ALA A 57 41.960 57.173 -35.891 1.00 0.00 H new ATOM 933 N GLU A 58 42.592 58.602 -32.207 1.00 0.00 N ATOM 934 CA GLU A 58 43.482 59.735 -31.819 1.00 0.00 C ATOM 935 C GLU A 58 44.685 59.194 -31.043 1.00 0.00 C ATOM 936 O GLU A 58 45.528 59.992 -30.666 1.00 0.00 O ATOM 937 CB GLU A 58 42.705 60.716 -30.937 1.00 0.00 C ATOM 938 CG GLU A 58 41.850 59.938 -29.935 1.00 0.00 C ATOM 939 CD GLU A 58 42.759 59.140 -28.998 1.00 0.00 C ATOM 940 OE1 GLU A 58 43.584 59.754 -28.341 1.00 0.00 O ATOM 941 OE2 GLU A 58 42.613 57.930 -28.954 1.00 0.00 O ATOM 942 OXT GLU A 58 44.742 57.993 -30.839 1.00 0.00 O ATOM 0 H GLU A 58 42.220 58.056 -31.430 1.00 0.00 H new ATOM 0 HA GLU A 58 43.828 60.249 -32.716 1.00 0.00 H new ATOM 0 HB2 GLU A 58 43.397 61.372 -30.408 1.00 0.00 H new ATOM 0 HB3 GLU A 58 42.071 61.352 -31.554 1.00 0.00 H new ATOM 0 HG2 GLU A 58 41.230 60.625 -29.359 1.00 0.00 H new ATOM 0 HG3 GLU A 58 41.174 59.265 -30.463 1.00 0.00 H new