USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=9 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 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -120:sc= -0.2 (180deg=-0.876) USER MOD Single : A 19 GLN : amide:sc= -0.428 X(o=-0.43,f=-0.092) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 35:sc= -3.82! USER MOD Single : A 32 SER OG : rot 180:sc= -0.124 USER MOD Single : A 33 ASN : amide:sc= -0.0447 X(o=-0.045,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.396 K(o=-0.4,f=-3.1!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -100:sc= -5.24! USER MOD Single : A 52 ASN : amide:sc= -1.53 K(o=-1.5,f=-12!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 45:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 44 N LYS A 3 39.761 54.452 -36.625 1.00 0.00 N ATOM 45 CA LYS A 3 39.348 55.226 -37.830 1.00 0.00 C ATOM 46 C LYS A 3 39.124 56.689 -37.437 1.00 0.00 C ATOM 47 O LYS A 3 38.022 57.089 -37.126 1.00 0.00 O ATOM 48 CB LYS A 3 38.045 54.647 -38.383 1.00 0.00 C ATOM 49 CG LYS A 3 38.357 53.696 -39.538 1.00 0.00 C ATOM 50 CD LYS A 3 37.330 52.563 -39.557 1.00 0.00 C ATOM 51 CE LYS A 3 35.926 53.150 -39.709 1.00 0.00 C ATOM 52 NZ LYS A 3 35.025 52.560 -38.678 1.00 0.00 N ATOM 0 HA LYS A 3 40.127 55.164 -38.590 1.00 0.00 H new ATOM 0 HB2 LYS A 3 37.508 54.117 -37.597 1.00 0.00 H new ATOM 0 HB3 LYS A 3 37.394 55.451 -38.726 1.00 0.00 H new ATOM 0 HG2 LYS A 3 38.335 54.237 -40.484 1.00 0.00 H new ATOM 0 HG3 LYS A 3 39.362 53.289 -39.426 1.00 0.00 H new ATOM 0 HD2 LYS A 3 37.541 51.880 -40.380 1.00 0.00 H new ATOM 0 HD3 LYS A 3 37.396 51.983 -38.637 1.00 0.00 H new ATOM 0 HE2 LYS A 3 35.960 54.234 -39.600 1.00 0.00 H new ATOM 0 HE3 LYS A 3 35.540 52.942 -40.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 34.070 52.959 -38.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 34.984 51.528 -38.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 35.391 52.780 -37.730 1.00 0.00 H new ATOM 66 N VAL A 4 40.157 57.488 -37.445 1.00 0.00 N ATOM 67 CA VAL A 4 39.989 58.919 -37.057 1.00 0.00 C ATOM 68 C VAL A 4 39.034 59.610 -38.031 1.00 0.00 C ATOM 69 O VAL A 4 39.327 59.760 -39.201 1.00 0.00 O ATOM 70 CB VAL A 4 41.333 59.637 -37.110 1.00 0.00 C ATOM 71 CG1 VAL A 4 41.859 59.626 -38.546 1.00 0.00 C ATOM 72 CG2 VAL A 4 41.150 61.084 -36.653 1.00 0.00 C ATOM 0 H VAL A 4 41.105 57.214 -37.702 1.00 0.00 H new ATOM 0 HA VAL A 4 39.587 58.958 -36.044 1.00 0.00 H new ATOM 0 HB VAL A 4 42.043 59.131 -36.456 1.00 0.00 H new ATOM 0 HG11 VAL A 4 42.820 60.139 -38.585 1.00 0.00 H new ATOM 0 HG12 VAL A 4 41.984 58.596 -38.880 1.00 0.00 H new ATOM 0 HG13 VAL A 4 41.149 60.135 -39.198 1.00 0.00 H new ATOM 0 HG21 VAL A 4 42.109 61.601 -36.689 1.00 0.00 H new ATOM 0 HG22 VAL A 4 40.441 61.587 -37.311 1.00 0.00 H new ATOM 0 HG23 VAL A 4 40.769 61.098 -35.632 1.00 0.00 H new ATOM 82 N VAL A 5 37.899 60.030 -37.560 1.00 0.00 N ATOM 83 CA VAL A 5 36.925 60.709 -38.455 1.00 0.00 C ATOM 84 C VAL A 5 37.167 62.220 -38.466 1.00 0.00 C ATOM 85 O VAL A 5 37.217 62.847 -37.434 1.00 0.00 O ATOM 86 CB VAL A 5 35.517 60.421 -37.953 1.00 0.00 C ATOM 87 CG1 VAL A 5 35.490 60.606 -36.440 1.00 0.00 C ATOM 88 CG2 VAL A 5 34.534 61.391 -38.607 1.00 0.00 C ATOM 0 H VAL A 5 37.601 59.933 -36.589 1.00 0.00 H new ATOM 0 HA VAL A 5 37.048 60.334 -39.471 1.00 0.00 H new ATOM 0 HB VAL A 5 35.232 59.400 -38.206 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.486 60.403 -36.066 1.00 0.00 H new ATOM 0 HG12 VAL A 5 36.196 59.917 -35.977 1.00 0.00 H new ATOM 0 HG13 VAL A 5 35.768 61.631 -36.194 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.526 61.185 -38.248 1.00 0.00 H new ATOM 0 HG22 VAL A 5 34.808 62.414 -38.351 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.566 61.267 -39.689 1.00 0.00 H new ATOM 98 N ALA A 6 37.283 62.817 -39.620 1.00 0.00 N ATOM 99 CA ALA A 6 37.500 64.293 -39.671 1.00 0.00 C ATOM 100 C ALA A 6 36.487 64.989 -38.764 1.00 0.00 C ATOM 101 O ALA A 6 35.623 64.362 -38.186 1.00 0.00 O ATOM 102 CB ALA A 6 37.312 64.787 -41.103 1.00 0.00 C ATOM 0 H ALA A 6 37.237 62.351 -40.526 1.00 0.00 H new ATOM 0 HA ALA A 6 38.511 64.520 -39.334 1.00 0.00 H new ATOM 0 HB1 ALA A 6 37.471 65.865 -41.140 1.00 0.00 H new ATOM 0 HB2 ALA A 6 38.031 64.292 -41.756 1.00 0.00 H new ATOM 0 HB3 ALA A 6 36.300 64.557 -41.437 1.00 0.00 H new ATOM 108 N LEU A 7 36.594 66.282 -38.619 1.00 0.00 N ATOM 109 CA LEU A 7 35.648 67.000 -37.731 1.00 0.00 C ATOM 110 C LEU A 7 35.620 68.492 -38.076 1.00 0.00 C ATOM 111 O LEU A 7 34.569 69.100 -38.145 1.00 0.00 O ATOM 112 CB LEU A 7 36.129 66.813 -36.299 1.00 0.00 C ATOM 113 CG LEU A 7 35.157 67.433 -35.318 1.00 0.00 C ATOM 114 CD1 LEU A 7 35.311 68.955 -35.327 1.00 0.00 C ATOM 115 CD2 LEU A 7 33.722 67.054 -35.695 1.00 0.00 C ATOM 0 H LEU A 7 37.294 66.866 -39.077 1.00 0.00 H new ATOM 0 HA LEU A 7 34.640 66.605 -37.857 1.00 0.00 H new ATOM 0 HB2 LEU A 7 36.240 65.750 -36.084 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.113 67.267 -36.179 1.00 0.00 H new ATOM 0 HG LEU A 7 35.373 67.058 -34.318 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.609 69.396 -34.619 1.00 0.00 H new ATOM 0 HD12 LEU A 7 36.329 69.219 -35.041 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.105 69.336 -36.327 1.00 0.00 H new ATOM 0 HD21 LEU A 7 33.028 67.504 -34.985 1.00 0.00 H new ATOM 0 HD22 LEU A 7 33.501 67.418 -36.698 1.00 0.00 H new ATOM 0 HD23 LEU A 7 33.614 65.970 -35.671 1.00 0.00 H new ATOM 127 N TYR A 8 36.761 69.095 -38.282 1.00 0.00 N ATOM 128 CA TYR A 8 36.782 70.550 -38.606 1.00 0.00 C ATOM 129 C TYR A 8 37.348 70.771 -40.012 1.00 0.00 C ATOM 130 O TYR A 8 37.687 71.876 -40.387 1.00 0.00 O ATOM 131 CB TYR A 8 37.654 71.285 -37.586 1.00 0.00 C ATOM 132 CG TYR A 8 36.896 71.430 -36.287 1.00 0.00 C ATOM 133 CD1 TYR A 8 35.576 71.895 -36.294 1.00 0.00 C ATOM 134 CD2 TYR A 8 37.514 71.100 -35.075 1.00 0.00 C ATOM 135 CE1 TYR A 8 34.874 72.030 -35.091 1.00 0.00 C ATOM 136 CE2 TYR A 8 36.812 71.234 -33.871 1.00 0.00 C ATOM 137 CZ TYR A 8 35.492 71.699 -33.879 1.00 0.00 C ATOM 138 OH TYR A 8 34.800 71.832 -32.692 1.00 0.00 O ATOM 0 H TYR A 8 37.675 68.645 -38.240 1.00 0.00 H new ATOM 0 HA TYR A 8 35.764 70.937 -38.569 1.00 0.00 H new ATOM 0 HB2 TYR A 8 38.580 70.735 -37.420 1.00 0.00 H new ATOM 0 HB3 TYR A 8 37.931 72.267 -37.969 1.00 0.00 H new ATOM 0 HD1 TYR A 8 35.099 72.150 -37.229 1.00 0.00 H new ATOM 0 HD2 TYR A 8 38.533 70.742 -35.069 1.00 0.00 H new ATOM 0 HE1 TYR A 8 33.856 72.389 -35.097 1.00 0.00 H new ATOM 0 HE2 TYR A 8 37.289 70.979 -32.936 1.00 0.00 H new ATOM 0 HH TYR A 8 35.374 71.559 -31.946 1.00 0.00 H new ATOM 148 N ASP A 9 37.447 69.733 -40.796 1.00 0.00 N ATOM 149 CA ASP A 9 37.983 69.892 -42.179 1.00 0.00 C ATOM 150 C ASP A 9 39.428 70.390 -42.117 1.00 0.00 C ATOM 151 O ASP A 9 39.813 71.107 -41.215 1.00 0.00 O ATOM 152 CB ASP A 9 37.130 70.904 -42.946 1.00 0.00 C ATOM 153 CG ASP A 9 37.729 71.125 -44.336 1.00 0.00 C ATOM 154 OD1 ASP A 9 37.829 70.161 -45.077 1.00 0.00 O ATOM 155 OD2 ASP A 9 38.078 72.255 -44.636 1.00 0.00 O ATOM 0 H ASP A 9 37.180 68.782 -40.540 1.00 0.00 H new ATOM 0 HA ASP A 9 37.953 68.929 -42.689 1.00 0.00 H new ATOM 0 HB2 ASP A 9 36.106 70.541 -43.033 1.00 0.00 H new ATOM 0 HB3 ASP A 9 37.089 71.848 -42.402 1.00 0.00 H new ATOM 160 N TYR A 10 40.231 70.014 -43.075 1.00 0.00 N ATOM 161 CA TYR A 10 41.649 70.460 -43.082 1.00 0.00 C ATOM 162 C TYR A 10 42.209 70.317 -44.497 1.00 0.00 C ATOM 163 O TYR A 10 42.406 69.224 -44.981 1.00 0.00 O ATOM 164 CB TYR A 10 42.463 69.591 -42.121 1.00 0.00 C ATOM 165 CG TYR A 10 43.642 70.379 -41.606 1.00 0.00 C ATOM 166 CD1 TYR A 10 43.433 71.535 -40.847 1.00 0.00 C ATOM 167 CD2 TYR A 10 44.945 69.952 -41.888 1.00 0.00 C ATOM 168 CE1 TYR A 10 44.526 72.267 -40.370 1.00 0.00 C ATOM 169 CE2 TYR A 10 46.040 70.683 -41.411 1.00 0.00 C ATOM 170 CZ TYR A 10 45.830 71.841 -40.651 1.00 0.00 C ATOM 171 OH TYR A 10 46.908 72.562 -40.181 1.00 0.00 O ATOM 0 H TYR A 10 39.963 69.415 -43.855 1.00 0.00 H new ATOM 0 HA TYR A 10 41.709 71.501 -42.765 1.00 0.00 H new ATOM 0 HB2 TYR A 10 41.838 69.266 -41.289 1.00 0.00 H new ATOM 0 HB3 TYR A 10 42.808 68.691 -42.631 1.00 0.00 H new ATOM 0 HD1 TYR A 10 42.427 71.863 -40.629 1.00 0.00 H new ATOM 0 HD2 TYR A 10 45.106 69.059 -42.473 1.00 0.00 H new ATOM 0 HE1 TYR A 10 44.364 73.160 -39.785 1.00 0.00 H new ATOM 0 HE2 TYR A 10 47.045 70.354 -41.629 1.00 0.00 H new ATOM 0 HH TYR A 10 47.740 72.129 -40.465 1.00 0.00 H new ATOM 181 N MET A 11 42.460 71.408 -45.166 1.00 0.00 N ATOM 182 CA MET A 11 43.000 71.328 -46.547 1.00 0.00 C ATOM 183 C MET A 11 44.485 71.715 -46.540 1.00 0.00 C ATOM 184 O MET A 11 44.816 72.883 -46.503 1.00 0.00 O ATOM 185 CB MET A 11 42.229 72.295 -47.447 1.00 0.00 C ATOM 186 CG MET A 11 42.577 72.018 -48.912 1.00 0.00 C ATOM 187 SD MET A 11 41.252 72.642 -49.975 1.00 0.00 S ATOM 188 CE MET A 11 40.033 71.360 -49.594 1.00 0.00 C ATOM 0 H MET A 11 42.313 72.353 -44.812 1.00 0.00 H new ATOM 0 HA MET A 11 42.892 70.310 -46.922 1.00 0.00 H new ATOM 0 HB2 MET A 11 41.157 72.179 -47.289 1.00 0.00 H new ATOM 0 HB3 MET A 11 42.479 73.325 -47.191 1.00 0.00 H new ATOM 0 HG2 MET A 11 43.521 72.498 -49.170 1.00 0.00 H new ATOM 0 HG3 MET A 11 42.710 70.948 -49.069 1.00 0.00 H new ATOM 0 HE1 MET A 11 39.761 70.834 -50.509 1.00 0.00 H new ATOM 0 HE2 MET A 11 40.459 70.653 -48.882 1.00 0.00 H new ATOM 0 HE3 MET A 11 39.144 71.820 -49.162 1.00 0.00 H new ATOM 198 N PRO A 12 45.339 70.721 -46.574 1.00 0.00 N ATOM 199 CA PRO A 12 46.799 70.929 -46.573 1.00 0.00 C ATOM 200 C PRO A 12 47.276 71.365 -47.961 1.00 0.00 C ATOM 201 O PRO A 12 47.528 72.528 -48.206 1.00 0.00 O ATOM 202 CB PRO A 12 47.360 69.553 -46.209 1.00 0.00 C ATOM 203 CG PRO A 12 46.262 68.527 -46.574 1.00 0.00 C ATOM 204 CD PRO A 12 44.933 69.302 -46.621 1.00 0.00 C ATOM 0 HA PRO A 12 47.121 71.709 -45.882 1.00 0.00 H new ATOM 0 HB2 PRO A 12 48.280 69.350 -46.758 1.00 0.00 H new ATOM 0 HB3 PRO A 12 47.604 69.501 -45.148 1.00 0.00 H new ATOM 0 HG2 PRO A 12 46.472 68.060 -47.536 1.00 0.00 H new ATOM 0 HG3 PRO A 12 46.218 67.727 -45.835 1.00 0.00 H new ATOM 0 HD2 PRO A 12 44.373 69.078 -47.529 1.00 0.00 H new ATOM 0 HD3 PRO A 12 44.291 69.043 -45.779 1.00 0.00 H new ATOM 266 N ASP A 17 49.151 66.202 -45.891 1.00 0.00 N ATOM 267 CA ASP A 17 47.998 65.741 -45.068 1.00 0.00 C ATOM 268 C ASP A 17 46.794 65.494 -45.974 1.00 0.00 C ATOM 269 O ASP A 17 46.696 66.047 -47.051 1.00 0.00 O ATOM 270 CB ASP A 17 47.646 66.818 -44.039 1.00 0.00 C ATOM 271 CG ASP A 17 48.285 66.469 -42.694 1.00 0.00 C ATOM 272 OD1 ASP A 17 49.503 66.463 -42.622 1.00 0.00 O ATOM 273 OD2 ASP A 17 47.546 66.213 -41.758 1.00 0.00 O ATOM 0 HA ASP A 17 48.263 64.817 -44.554 1.00 0.00 H new ATOM 0 HB2 ASP A 17 48.000 67.791 -44.380 1.00 0.00 H new ATOM 0 HB3 ASP A 17 46.564 66.892 -43.931 1.00 0.00 H new ATOM 278 N LEU A 18 45.866 64.679 -45.551 1.00 0.00 N ATOM 279 CA LEU A 18 44.673 64.427 -46.402 1.00 0.00 C ATOM 280 C LEU A 18 43.707 65.597 -46.224 1.00 0.00 C ATOM 281 O LEU A 18 43.553 66.124 -45.142 1.00 0.00 O ATOM 282 CB LEU A 18 43.994 63.127 -45.939 1.00 0.00 C ATOM 283 CG LEU A 18 44.317 61.913 -46.842 1.00 0.00 C ATOM 284 CD1 LEU A 18 45.353 62.245 -47.926 1.00 0.00 C ATOM 285 CD2 LEU A 18 44.859 60.789 -45.959 1.00 0.00 C ATOM 0 H LEU A 18 45.883 64.182 -44.661 1.00 0.00 H new ATOM 0 HA LEU A 18 44.960 64.332 -47.449 1.00 0.00 H new ATOM 0 HB2 LEU A 18 44.307 62.905 -44.919 1.00 0.00 H new ATOM 0 HB3 LEU A 18 42.915 63.277 -45.916 1.00 0.00 H new ATOM 0 HG LEU A 18 43.400 61.616 -47.351 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.543 61.359 -48.531 1.00 0.00 H new ATOM 0 HD12 LEU A 18 44.971 63.044 -48.562 1.00 0.00 H new ATOM 0 HD13 LEU A 18 46.281 62.569 -47.455 1.00 0.00 H new ATOM 0 HD21 LEU A 18 45.093 59.922 -46.577 1.00 0.00 H new ATOM 0 HD22 LEU A 18 45.762 61.128 -45.452 1.00 0.00 H new ATOM 0 HD23 LEU A 18 44.108 60.514 -45.218 1.00 0.00 H new ATOM 297 N GLN A 19 43.065 66.022 -47.278 1.00 0.00 N ATOM 298 CA GLN A 19 42.124 67.160 -47.158 1.00 0.00 C ATOM 299 C GLN A 19 40.861 66.689 -46.437 1.00 0.00 C ATOM 300 O GLN A 19 39.922 66.220 -47.050 1.00 0.00 O ATOM 301 CB GLN A 19 41.775 67.658 -48.556 1.00 0.00 C ATOM 302 CG GLN A 19 43.047 68.140 -49.257 1.00 0.00 C ATOM 303 CD GLN A 19 42.874 68.014 -50.771 1.00 0.00 C ATOM 304 OE1 GLN A 19 43.124 68.952 -51.503 1.00 0.00 O ATOM 305 NE2 GLN A 19 42.451 66.888 -51.277 1.00 0.00 N ATOM 0 H GLN A 19 43.155 65.628 -48.214 1.00 0.00 H new ATOM 0 HA GLN A 19 42.578 67.971 -46.589 1.00 0.00 H new ATOM 0 HB2 GLN A 19 41.309 66.859 -49.133 1.00 0.00 H new ATOM 0 HB3 GLN A 19 41.051 68.470 -48.494 1.00 0.00 H new ATOM 0 HG2 GLN A 19 43.252 69.176 -48.989 1.00 0.00 H new ATOM 0 HG3 GLN A 19 43.902 67.550 -48.928 1.00 0.00 H new ATOM 0 HE21 GLN A 19 42.241 66.100 -50.664 1.00 0.00 H new ATOM 0 HE22 GLN A 19 42.330 66.796 -52.286 1.00 0.00 H new ATOM 314 N LEU A 20 40.836 66.796 -45.137 1.00 0.00 N ATOM 315 CA LEU A 20 39.641 66.339 -44.375 1.00 0.00 C ATOM 316 C LEU A 20 38.369 66.910 -44.996 1.00 0.00 C ATOM 317 O LEU A 20 38.405 67.852 -45.763 1.00 0.00 O ATOM 318 CB LEU A 20 39.744 66.806 -42.921 1.00 0.00 C ATOM 319 CG LEU A 20 41.029 66.276 -42.268 1.00 0.00 C ATOM 320 CD1 LEU A 20 40.717 65.861 -40.833 1.00 0.00 C ATOM 321 CD2 LEU A 20 41.576 65.062 -43.034 1.00 0.00 C ATOM 0 H LEU A 20 41.592 67.180 -44.570 1.00 0.00 H new ATOM 0 HA LEU A 20 39.601 65.250 -44.410 1.00 0.00 H new ATOM 0 HB2 LEU A 20 39.734 67.895 -42.883 1.00 0.00 H new ATOM 0 HB3 LEU A 20 38.876 66.459 -42.360 1.00 0.00 H new ATOM 0 HG LEU A 20 41.782 67.064 -42.286 1.00 0.00 H new ATOM 0 HD11 LEU A 20 41.622 65.483 -40.359 1.00 0.00 H new ATOM 0 HD12 LEU A 20 40.349 66.723 -40.277 1.00 0.00 H new ATOM 0 HD13 LEU A 20 39.956 65.080 -40.837 1.00 0.00 H new ATOM 0 HD21 LEU A 20 42.486 64.707 -42.551 1.00 0.00 H new ATOM 0 HD22 LEU A 20 40.831 64.266 -43.035 1.00 0.00 H new ATOM 0 HD23 LEU A 20 41.800 65.350 -44.061 1.00 0.00 H new ATOM 333 N ARG A 21 37.244 66.349 -44.657 1.00 0.00 N ATOM 334 CA ARG A 21 35.957 66.857 -45.210 1.00 0.00 C ATOM 335 C ARG A 21 34.891 66.773 -44.124 1.00 0.00 C ATOM 336 O ARG A 21 33.714 66.639 -44.396 1.00 0.00 O ATOM 337 CB ARG A 21 35.538 66.012 -46.414 1.00 0.00 C ATOM 338 CG ARG A 21 36.006 66.690 -47.704 1.00 0.00 C ATOM 339 CD ARG A 21 35.361 66.000 -48.906 1.00 0.00 C ATOM 340 NE ARG A 21 34.816 67.029 -49.836 1.00 0.00 N ATOM 341 CZ ARG A 21 34.989 66.902 -51.124 1.00 0.00 C ATOM 342 NH1 ARG A 21 36.183 66.688 -51.604 1.00 0.00 N ATOM 343 NH2 ARG A 21 33.968 66.991 -51.932 1.00 0.00 N ATOM 0 H ARG A 21 37.159 65.558 -44.019 1.00 0.00 H new ATOM 0 HA ARG A 21 36.077 67.891 -45.533 1.00 0.00 H new ATOM 0 HB2 ARG A 21 35.969 65.014 -46.339 1.00 0.00 H new ATOM 0 HB3 ARG A 21 34.455 65.891 -46.427 1.00 0.00 H new ATOM 0 HG2 ARG A 21 35.737 67.746 -47.690 1.00 0.00 H new ATOM 0 HG3 ARG A 21 37.092 66.638 -47.781 1.00 0.00 H new ATOM 0 HD2 ARG A 21 36.096 65.381 -49.421 1.00 0.00 H new ATOM 0 HD3 ARG A 21 34.563 65.336 -48.573 1.00 0.00 H new ATOM 0 HE ARG A 21 34.308 67.832 -49.466 1.00 0.00 H new ATOM 0 HH11 ARG A 21 36.982 66.620 -50.973 1.00 0.00 H new ATOM 0 HH12 ARG A 21 36.318 66.589 -52.610 1.00 0.00 H new ATOM 0 HH21 ARG A 21 33.034 67.160 -51.557 1.00 0.00 H new ATOM 0 HH22 ARG A 21 34.104 66.892 -52.938 1.00 0.00 H new ATOM 357 N LYS A 22 35.313 66.856 -42.895 1.00 0.00 N ATOM 358 CA LYS A 22 34.364 66.787 -41.745 1.00 0.00 C ATOM 359 C LYS A 22 33.234 65.806 -42.057 1.00 0.00 C ATOM 360 O LYS A 22 32.226 66.171 -42.629 1.00 0.00 O ATOM 361 CB LYS A 22 33.770 68.172 -41.485 1.00 0.00 C ATOM 362 CG LYS A 22 34.896 69.192 -41.311 1.00 0.00 C ATOM 363 CD LYS A 22 34.338 70.604 -41.498 1.00 0.00 C ATOM 364 CE LYS A 22 33.206 70.843 -40.497 1.00 0.00 C ATOM 365 NZ LYS A 22 32.546 72.145 -40.795 1.00 0.00 N ATOM 0 H LYS A 22 36.292 66.971 -42.632 1.00 0.00 H new ATOM 0 HA LYS A 22 34.904 66.446 -40.862 1.00 0.00 H new ATOM 0 HB2 LYS A 22 33.127 68.464 -42.315 1.00 0.00 H new ATOM 0 HB3 LYS A 22 33.146 68.149 -40.591 1.00 0.00 H new ATOM 0 HG2 LYS A 22 35.341 69.093 -40.321 1.00 0.00 H new ATOM 0 HG3 LYS A 22 35.688 69.003 -42.036 1.00 0.00 H new ATOM 0 HD2 LYS A 22 35.128 71.341 -41.352 1.00 0.00 H new ATOM 0 HD3 LYS A 22 33.970 70.729 -42.516 1.00 0.00 H new ATOM 0 HE2 LYS A 22 32.479 70.033 -40.554 1.00 0.00 H new ATOM 0 HE3 LYS A 22 33.600 70.847 -39.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 31.776 72.308 -40.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 33.243 72.913 -40.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 32.157 72.124 -41.759 1.00 0.00 H new ATOM 379 N GLY A 23 33.389 64.567 -41.689 1.00 0.00 N ATOM 380 CA GLY A 23 32.316 63.574 -41.973 1.00 0.00 C ATOM 381 C GLY A 23 32.959 62.261 -42.400 1.00 0.00 C ATOM 382 O GLY A 23 32.961 61.292 -41.666 1.00 0.00 O ATOM 0 H GLY A 23 34.208 64.199 -41.206 1.00 0.00 H new ATOM 0 HA2 GLY A 23 31.700 63.421 -41.087 1.00 0.00 H new ATOM 0 HA3 GLY A 23 31.658 63.945 -42.759 1.00 0.00 H new ATOM 386 N ASP A 24 33.520 62.218 -43.576 1.00 0.00 N ATOM 387 CA ASP A 24 34.174 60.963 -44.024 1.00 0.00 C ATOM 388 C ASP A 24 35.153 60.528 -42.941 1.00 0.00 C ATOM 389 O ASP A 24 35.987 61.295 -42.503 1.00 0.00 O ATOM 390 CB ASP A 24 34.935 61.208 -45.325 1.00 0.00 C ATOM 391 CG ASP A 24 33.991 61.809 -46.368 1.00 0.00 C ATOM 392 OD1 ASP A 24 32.799 61.566 -46.270 1.00 0.00 O ATOM 393 OD2 ASP A 24 34.476 62.500 -47.250 1.00 0.00 O ATOM 0 H ASP A 24 33.553 62.992 -44.240 1.00 0.00 H new ATOM 0 HA ASP A 24 33.424 60.191 -44.196 1.00 0.00 H new ATOM 0 HB2 ASP A 24 35.772 61.883 -45.146 1.00 0.00 H new ATOM 0 HB3 ASP A 24 35.353 60.272 -45.695 1.00 0.00 H new ATOM 398 N GLU A 25 35.057 59.313 -42.492 1.00 0.00 N ATOM 399 CA GLU A 25 35.986 58.857 -41.427 1.00 0.00 C ATOM 400 C GLU A 25 37.303 58.411 -42.056 1.00 0.00 C ATOM 401 O GLU A 25 37.354 58.027 -43.208 1.00 0.00 O ATOM 402 CB GLU A 25 35.365 57.696 -40.651 1.00 0.00 C ATOM 403 CG GLU A 25 33.994 58.117 -40.119 1.00 0.00 C ATOM 404 CD GLU A 25 32.901 57.319 -40.833 1.00 0.00 C ATOM 405 OE1 GLU A 25 32.656 56.195 -40.428 1.00 0.00 O ATOM 406 OE2 GLU A 25 32.329 57.847 -41.773 1.00 0.00 O ATOM 0 H GLU A 25 34.381 58.620 -42.813 1.00 0.00 H new ATOM 0 HA GLU A 25 36.173 59.681 -40.739 1.00 0.00 H new ATOM 0 HB2 GLU A 25 35.265 56.824 -41.298 1.00 0.00 H new ATOM 0 HB3 GLU A 25 36.015 57.407 -39.825 1.00 0.00 H new ATOM 0 HG2 GLU A 25 33.941 57.945 -39.044 1.00 0.00 H new ATOM 0 HG3 GLU A 25 33.843 59.185 -40.279 1.00 0.00 H new ATOM 413 N TYR A 26 38.373 58.472 -41.314 1.00 0.00 N ATOM 414 CA TYR A 26 39.691 58.068 -41.875 1.00 0.00 C ATOM 415 C TYR A 26 40.241 56.861 -41.115 1.00 0.00 C ATOM 416 O TYR A 26 40.072 56.735 -39.919 1.00 0.00 O ATOM 417 CB TYR A 26 40.657 59.246 -41.751 1.00 0.00 C ATOM 418 CG TYR A 26 39.949 60.504 -42.189 1.00 0.00 C ATOM 419 CD1 TYR A 26 38.988 60.441 -43.203 1.00 0.00 C ATOM 420 CD2 TYR A 26 40.247 61.727 -41.583 1.00 0.00 C ATOM 421 CE1 TYR A 26 38.326 61.601 -43.617 1.00 0.00 C ATOM 422 CE2 TYR A 26 39.583 62.888 -41.995 1.00 0.00 C ATOM 423 CZ TYR A 26 38.623 62.824 -43.014 1.00 0.00 C ATOM 424 OH TYR A 26 37.974 63.969 -43.429 1.00 0.00 O ATOM 0 H TYR A 26 38.391 58.784 -40.343 1.00 0.00 H new ATOM 0 HA TYR A 26 39.574 57.791 -42.923 1.00 0.00 H new ATOM 0 HB2 TYR A 26 41.001 59.345 -40.721 1.00 0.00 H new ATOM 0 HB3 TYR A 26 41.540 59.076 -42.367 1.00 0.00 H new ATOM 0 HD1 TYR A 26 38.757 59.494 -43.668 1.00 0.00 H new ATOM 0 HD2 TYR A 26 40.988 61.776 -40.799 1.00 0.00 H new ATOM 0 HE1 TYR A 26 37.586 61.551 -44.402 1.00 0.00 H new ATOM 0 HE2 TYR A 26 39.811 63.834 -41.527 1.00 0.00 H new ATOM 0 HH TYR A 26 37.051 63.751 -43.676 1.00 0.00 H new ATOM 434 N PHE A 27 40.911 55.983 -41.811 1.00 0.00 N ATOM 435 CA PHE A 27 41.495 54.780 -41.156 1.00 0.00 C ATOM 436 C PHE A 27 42.976 55.036 -40.925 1.00 0.00 C ATOM 437 O PHE A 27 43.674 55.514 -41.796 1.00 0.00 O ATOM 438 CB PHE A 27 41.320 53.559 -42.064 1.00 0.00 C ATOM 439 CG PHE A 27 39.916 53.539 -42.624 1.00 0.00 C ATOM 440 CD1 PHE A 27 39.571 54.387 -43.683 1.00 0.00 C ATOM 441 CD2 PHE A 27 38.961 52.671 -42.083 1.00 0.00 C ATOM 442 CE1 PHE A 27 38.270 54.368 -44.200 1.00 0.00 C ATOM 443 CE2 PHE A 27 37.660 52.652 -42.600 1.00 0.00 C ATOM 444 CZ PHE A 27 37.314 53.500 -43.659 1.00 0.00 C ATOM 0 H PHE A 27 41.080 56.049 -42.815 1.00 0.00 H new ATOM 0 HA PHE A 27 40.992 54.587 -40.208 1.00 0.00 H new ATOM 0 HB2 PHE A 27 42.046 53.591 -42.877 1.00 0.00 H new ATOM 0 HB3 PHE A 27 41.511 52.645 -41.502 1.00 0.00 H new ATOM 0 HD1 PHE A 27 40.308 55.056 -44.101 1.00 0.00 H new ATOM 0 HD2 PHE A 27 39.227 52.016 -41.267 1.00 0.00 H new ATOM 0 HE1 PHE A 27 38.004 55.023 -45.016 1.00 0.00 H new ATOM 0 HE2 PHE A 27 36.923 51.983 -42.182 1.00 0.00 H new ATOM 0 HZ PHE A 27 36.311 53.485 -44.058 1.00 0.00 H new ATOM 454 N ILE A 28 43.458 54.748 -39.755 1.00 0.00 N ATOM 455 CA ILE A 28 44.888 55.012 -39.471 1.00 0.00 C ATOM 456 C ILE A 28 45.772 53.881 -39.969 1.00 0.00 C ATOM 457 O ILE A 28 46.029 52.919 -39.273 1.00 0.00 O ATOM 458 CB ILE A 28 45.081 55.187 -37.971 1.00 0.00 C ATOM 459 CG1 ILE A 28 44.023 56.160 -37.436 1.00 0.00 C ATOM 460 CG2 ILE A 28 46.480 55.745 -37.710 1.00 0.00 C ATOM 461 CD1 ILE A 28 43.819 57.311 -38.431 1.00 0.00 C ATOM 0 H ILE A 28 42.926 54.342 -38.985 1.00 0.00 H new ATOM 0 HA ILE A 28 45.177 55.922 -39.996 1.00 0.00 H new ATOM 0 HB ILE A 28 44.974 54.227 -37.466 1.00 0.00 H new ATOM 0 HG12 ILE A 28 43.081 55.635 -37.276 1.00 0.00 H new ATOM 0 HG13 ILE A 28 44.336 56.555 -36.469 1.00 0.00 H new ATOM 0 HG21 ILE A 28 46.626 55.873 -36.638 1.00 0.00 H new ATOM 0 HG22 ILE A 28 47.226 55.052 -38.098 1.00 0.00 H new ATOM 0 HG23 ILE A 28 46.586 56.708 -38.209 1.00 0.00 H new ATOM 0 HD11 ILE A 28 43.066 57.998 -38.044 1.00 0.00 H new ATOM 0 HD12 ILE A 28 44.760 57.844 -38.569 1.00 0.00 H new ATOM 0 HD13 ILE A 28 43.486 56.910 -39.388 1.00 0.00 H new ATOM 473 N LEU A 29 46.275 54.014 -41.161 1.00 0.00 N ATOM 474 CA LEU A 29 47.182 52.987 -41.701 1.00 0.00 C ATOM 475 C LEU A 29 48.466 52.994 -40.861 1.00 0.00 C ATOM 476 O LEU A 29 49.304 52.122 -40.978 1.00 0.00 O ATOM 477 CB LEU A 29 47.502 53.350 -43.149 1.00 0.00 C ATOM 478 CG LEU A 29 46.281 53.087 -44.032 1.00 0.00 C ATOM 479 CD1 LEU A 29 45.691 51.713 -43.713 1.00 0.00 C ATOM 480 CD2 LEU A 29 45.220 54.163 -43.793 1.00 0.00 C ATOM 0 H LEU A 29 46.091 54.800 -41.785 1.00 0.00 H new ATOM 0 HA LEU A 29 46.728 51.997 -41.665 1.00 0.00 H new ATOM 0 HB2 LEU A 29 47.791 54.399 -43.215 1.00 0.00 H new ATOM 0 HB3 LEU A 29 48.350 52.763 -43.502 1.00 0.00 H new ATOM 0 HG LEU A 29 46.593 53.113 -45.076 1.00 0.00 H new ATOM 0 HD11 LEU A 29 44.822 51.534 -44.346 1.00 0.00 H new ATOM 0 HD12 LEU A 29 46.440 50.943 -43.899 1.00 0.00 H new ATOM 0 HD13 LEU A 29 45.390 51.681 -42.666 1.00 0.00 H new ATOM 0 HD21 LEU A 29 44.354 53.967 -44.426 1.00 0.00 H new ATOM 0 HD22 LEU A 29 44.915 54.147 -42.747 1.00 0.00 H new ATOM 0 HD23 LEU A 29 45.633 55.142 -44.036 1.00 0.00 H new ATOM 492 N GLU A 30 48.617 53.981 -40.009 1.00 0.00 N ATOM 493 CA GLU A 30 49.831 54.064 -39.153 1.00 0.00 C ATOM 494 C GLU A 30 49.720 55.311 -38.274 1.00 0.00 C ATOM 495 O GLU A 30 48.969 56.220 -38.568 1.00 0.00 O ATOM 496 CB GLU A 30 51.078 54.163 -40.032 1.00 0.00 C ATOM 497 CG GLU A 30 52.229 53.399 -39.373 1.00 0.00 C ATOM 498 CD GLU A 30 53.426 53.357 -40.325 1.00 0.00 C ATOM 499 OE1 GLU A 30 53.531 54.247 -41.152 1.00 0.00 O ATOM 500 OE2 GLU A 30 54.217 52.435 -40.211 1.00 0.00 O ATOM 0 H GLU A 30 47.943 54.735 -39.873 1.00 0.00 H new ATOM 0 HA GLU A 30 49.910 53.173 -38.530 1.00 0.00 H new ATOM 0 HB2 GLU A 30 50.873 53.751 -41.020 1.00 0.00 H new ATOM 0 HB3 GLU A 30 51.355 55.208 -40.173 1.00 0.00 H new ATOM 0 HG2 GLU A 30 52.512 53.882 -38.438 1.00 0.00 H new ATOM 0 HG3 GLU A 30 51.912 52.386 -39.125 1.00 0.00 H new ATOM 507 N GLU A 31 50.452 55.368 -37.197 1.00 0.00 N ATOM 508 CA GLU A 31 50.370 56.564 -36.311 1.00 0.00 C ATOM 509 C GLU A 31 51.780 57.078 -36.010 1.00 0.00 C ATOM 510 O GLU A 31 52.743 56.679 -36.632 1.00 0.00 O ATOM 511 CB GLU A 31 49.676 56.181 -35.002 1.00 0.00 C ATOM 512 CG GLU A 31 50.487 55.096 -34.292 1.00 0.00 C ATOM 513 CD GLU A 31 49.961 54.915 -32.866 1.00 0.00 C ATOM 514 OE1 GLU A 31 48.853 55.356 -32.605 1.00 0.00 O ATOM 515 OE2 GLU A 31 50.674 54.342 -32.061 1.00 0.00 O ATOM 0 H GLU A 31 51.101 54.642 -36.892 1.00 0.00 H new ATOM 0 HA GLU A 31 49.799 57.347 -36.811 1.00 0.00 H new ATOM 0 HB2 GLU A 31 49.579 57.056 -34.360 1.00 0.00 H new ATOM 0 HB3 GLU A 31 48.667 55.822 -35.205 1.00 0.00 H new ATOM 0 HG2 GLU A 31 50.415 54.156 -34.840 1.00 0.00 H new ATOM 0 HG3 GLU A 31 51.541 55.371 -34.270 1.00 0.00 H new ATOM 522 N SER A 32 51.906 57.961 -35.057 1.00 0.00 N ATOM 523 CA SER A 32 53.251 58.503 -34.713 1.00 0.00 C ATOM 524 C SER A 32 53.116 59.512 -33.570 1.00 0.00 C ATOM 525 O SER A 32 52.065 59.656 -32.978 1.00 0.00 O ATOM 526 CB SER A 32 53.852 59.194 -35.937 1.00 0.00 C ATOM 527 OG SER A 32 52.801 59.656 -36.777 1.00 0.00 O ATOM 0 H SER A 32 51.135 58.331 -34.501 1.00 0.00 H new ATOM 0 HA SER A 32 53.903 57.687 -34.402 1.00 0.00 H new ATOM 0 HB2 SER A 32 54.479 60.030 -35.626 1.00 0.00 H new ATOM 0 HB3 SER A 32 54.492 58.501 -36.483 1.00 0.00 H new ATOM 0 HG SER A 32 53.182 60.101 -37.563 1.00 0.00 H new ATOM 533 N ASN A 33 54.171 60.214 -33.256 1.00 0.00 N ATOM 534 CA ASN A 33 54.100 61.213 -32.153 1.00 0.00 C ATOM 535 C ASN A 33 53.303 62.433 -32.620 1.00 0.00 C ATOM 536 O ASN A 33 52.368 62.861 -31.973 1.00 0.00 O ATOM 537 CB ASN A 33 55.515 61.645 -31.763 1.00 0.00 C ATOM 538 CG ASN A 33 55.772 61.291 -30.299 1.00 0.00 C ATOM 539 OD1 ASN A 33 56.069 62.152 -29.495 1.00 0.00 O ATOM 540 ND2 ASN A 33 55.671 60.047 -29.913 1.00 0.00 N ATOM 0 H ASN A 33 55.078 60.139 -33.716 1.00 0.00 H new ATOM 0 HA ASN A 33 53.607 60.766 -31.290 1.00 0.00 H new ATOM 0 HB2 ASN A 33 56.247 61.150 -32.402 1.00 0.00 H new ATOM 0 HB3 ASN A 33 55.634 62.718 -31.915 1.00 0.00 H new ATOM 0 HD21 ASN A 33 55.841 59.800 -28.938 1.00 0.00 H new ATOM 0 HD22 ASN A 33 55.422 59.323 -30.587 1.00 0.00 H new ATOM 547 N LEU A 34 53.665 62.994 -33.742 1.00 0.00 N ATOM 548 CA LEU A 34 52.929 64.183 -34.260 1.00 0.00 C ATOM 549 C LEU A 34 51.423 63.962 -34.089 1.00 0.00 C ATOM 550 O LEU A 34 50.984 62.847 -33.885 1.00 0.00 O ATOM 551 CB LEU A 34 53.256 64.365 -35.745 1.00 0.00 C ATOM 552 CG LEU A 34 54.637 65.007 -35.892 1.00 0.00 C ATOM 553 CD1 LEU A 34 55.342 64.428 -37.119 1.00 0.00 C ATOM 554 CD2 LEU A 34 54.480 66.520 -36.061 1.00 0.00 C ATOM 0 H LEU A 34 54.441 62.679 -34.324 1.00 0.00 H new ATOM 0 HA LEU A 34 53.228 65.074 -33.707 1.00 0.00 H new ATOM 0 HB2 LEU A 34 53.236 63.401 -36.253 1.00 0.00 H new ATOM 0 HB3 LEU A 34 52.501 64.991 -36.220 1.00 0.00 H new ATOM 0 HG LEU A 34 55.230 64.800 -35.001 1.00 0.00 H new ATOM 0 HD11 LEU A 34 56.326 64.886 -37.223 1.00 0.00 H new ATOM 0 HD12 LEU A 34 55.454 63.350 -37.000 1.00 0.00 H new ATOM 0 HD13 LEU A 34 54.750 64.635 -38.010 1.00 0.00 H new ATOM 0 HD21 LEU A 34 55.463 66.978 -36.166 1.00 0.00 H new ATOM 0 HD22 LEU A 34 53.886 66.727 -36.951 1.00 0.00 H new ATOM 0 HD23 LEU A 34 53.978 66.934 -35.186 1.00 0.00 H new ATOM 566 N PRO A 35 50.672 65.031 -34.183 1.00 0.00 N ATOM 567 CA PRO A 35 49.207 64.980 -34.047 1.00 0.00 C ATOM 568 C PRO A 35 48.581 64.408 -35.317 1.00 0.00 C ATOM 569 O PRO A 35 47.487 63.883 -35.299 1.00 0.00 O ATOM 570 CB PRO A 35 48.808 66.443 -33.843 1.00 0.00 C ATOM 571 CG PRO A 35 49.966 67.293 -34.417 1.00 0.00 C ATOM 572 CD PRO A 35 51.210 66.384 -34.437 1.00 0.00 C ATOM 0 HA PRO A 35 48.871 64.343 -33.229 1.00 0.00 H new ATOM 0 HB2 PRO A 35 47.872 66.666 -34.355 1.00 0.00 H new ATOM 0 HB3 PRO A 35 48.653 66.660 -32.786 1.00 0.00 H new ATOM 0 HG2 PRO A 35 49.728 67.646 -35.420 1.00 0.00 H new ATOM 0 HG3 PRO A 35 50.141 68.176 -33.802 1.00 0.00 H new ATOM 0 HD2 PRO A 35 51.725 66.435 -35.396 1.00 0.00 H new ATOM 0 HD3 PRO A 35 51.930 66.677 -33.673 1.00 0.00 H new ATOM 579 N TRP A 36 49.272 64.491 -36.419 1.00 0.00 N ATOM 580 CA TRP A 36 48.712 63.933 -37.681 1.00 0.00 C ATOM 581 C TRP A 36 49.271 62.524 -37.882 1.00 0.00 C ATOM 582 O TRP A 36 50.414 62.257 -37.565 1.00 0.00 O ATOM 583 CB TRP A 36 49.094 64.819 -38.873 1.00 0.00 C ATOM 584 CG TRP A 36 50.415 65.475 -38.623 1.00 0.00 C ATOM 585 CD1 TRP A 36 51.612 64.845 -38.645 1.00 0.00 C ATOM 586 CD2 TRP A 36 50.693 66.871 -38.315 1.00 0.00 C ATOM 587 NE1 TRP A 36 52.607 65.766 -38.370 1.00 0.00 N ATOM 588 CE2 TRP A 36 52.089 67.030 -38.159 1.00 0.00 C ATOM 589 CE3 TRP A 36 49.875 68.006 -38.156 1.00 0.00 C ATOM 590 CZ2 TRP A 36 52.657 68.268 -37.858 1.00 0.00 C ATOM 591 CZ3 TRP A 36 50.442 69.254 -37.853 1.00 0.00 C ATOM 592 CH2 TRP A 36 51.830 69.385 -37.704 1.00 0.00 C ATOM 0 H TRP A 36 50.195 64.918 -36.501 1.00 0.00 H new ATOM 0 HA TRP A 36 47.625 63.899 -37.614 1.00 0.00 H new ATOM 0 HB2 TRP A 36 49.143 64.219 -39.781 1.00 0.00 H new ATOM 0 HB3 TRP A 36 48.327 65.577 -39.033 1.00 0.00 H new ATOM 0 HD1 TRP A 36 51.766 63.795 -38.845 1.00 0.00 H new ATOM 0 HE1 TRP A 36 53.601 65.540 -38.328 1.00 0.00 H new ATOM 0 HE3 TRP A 36 48.805 67.916 -38.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 53.727 68.363 -37.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 49.805 70.118 -37.734 1.00 0.00 H new ATOM 0 HH2 TRP A 36 52.260 70.348 -37.470 1.00 0.00 H new ATOM 603 N TRP A 37 48.486 61.613 -38.396 1.00 0.00 N ATOM 604 CA TRP A 37 49.009 60.229 -38.590 1.00 0.00 C ATOM 605 C TRP A 37 49.079 59.917 -40.083 1.00 0.00 C ATOM 606 O TRP A 37 49.116 60.805 -40.904 1.00 0.00 O ATOM 607 CB TRP A 37 48.091 59.230 -37.877 1.00 0.00 C ATOM 608 CG TRP A 37 48.145 59.478 -36.403 1.00 0.00 C ATOM 609 CD1 TRP A 37 49.090 60.215 -35.774 1.00 0.00 C ATOM 610 CD2 TRP A 37 47.242 59.002 -35.363 1.00 0.00 C ATOM 611 NE1 TRP A 37 48.823 60.224 -34.417 1.00 0.00 N ATOM 612 CE2 TRP A 37 47.694 59.491 -34.114 1.00 0.00 C ATOM 613 CE3 TRP A 37 46.086 58.203 -35.381 1.00 0.00 C ATOM 614 CZ2 TRP A 37 47.023 59.197 -32.927 1.00 0.00 C ATOM 615 CZ3 TRP A 37 45.408 57.905 -34.188 1.00 0.00 C ATOM 616 CH2 TRP A 37 45.876 58.401 -32.962 1.00 0.00 C ATOM 0 H TRP A 37 47.520 61.764 -38.686 1.00 0.00 H new ATOM 0 HA TRP A 37 50.010 60.150 -38.166 1.00 0.00 H new ATOM 0 HB2 TRP A 37 47.068 59.336 -38.238 1.00 0.00 H new ATOM 0 HB3 TRP A 37 48.403 58.209 -38.098 1.00 0.00 H new ATOM 0 HD1 TRP A 37 49.918 60.715 -36.254 1.00 0.00 H new ATOM 0 HE1 TRP A 37 49.391 60.713 -33.725 1.00 0.00 H new ATOM 0 HE3 TRP A 37 45.717 57.815 -36.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 47.388 59.583 -31.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 44.521 57.290 -34.214 1.00 0.00 H new ATOM 0 HH2 TRP A 37 45.351 58.168 -32.048 1.00 0.00 H new ATOM 627 N ARG A 38 49.099 58.666 -40.440 1.00 0.00 N ATOM 628 CA ARG A 38 49.168 58.298 -41.881 1.00 0.00 C ATOM 629 C ARG A 38 47.922 57.492 -42.223 1.00 0.00 C ATOM 630 O ARG A 38 47.945 56.278 -42.271 1.00 0.00 O ATOM 631 CB ARG A 38 50.416 57.452 -42.141 1.00 0.00 C ATOM 632 CG ARG A 38 50.696 57.405 -43.644 1.00 0.00 C ATOM 633 CD ARG A 38 51.606 56.215 -43.958 1.00 0.00 C ATOM 634 NE ARG A 38 50.827 55.174 -44.684 1.00 0.00 N ATOM 635 CZ ARG A 38 51.362 54.007 -44.921 1.00 0.00 C ATOM 636 NH1 ARG A 38 52.658 53.892 -45.027 1.00 0.00 N ATOM 637 NH2 ARG A 38 50.600 52.955 -45.054 1.00 0.00 N ATOM 0 H ARG A 38 49.070 57.878 -39.793 1.00 0.00 H new ATOM 0 HA ARG A 38 49.220 59.196 -42.497 1.00 0.00 H new ATOM 0 HB2 ARG A 38 51.271 57.875 -41.614 1.00 0.00 H new ATOM 0 HB3 ARG A 38 50.271 56.443 -41.755 1.00 0.00 H new ATOM 0 HG2 ARG A 38 49.760 57.316 -44.196 1.00 0.00 H new ATOM 0 HG3 ARG A 38 51.169 58.333 -43.966 1.00 0.00 H new ATOM 0 HD2 ARG A 38 52.452 56.540 -44.564 1.00 0.00 H new ATOM 0 HD3 ARG A 38 52.014 55.802 -43.036 1.00 0.00 H new ATOM 0 HE ARG A 38 49.876 55.373 -44.996 1.00 0.00 H new ATOM 0 HH11 ARG A 38 53.253 54.714 -44.925 1.00 0.00 H new ATOM 0 HH12 ARG A 38 53.076 52.980 -45.212 1.00 0.00 H new ATOM 0 HH21 ARG A 38 49.587 53.045 -44.973 1.00 0.00 H new ATOM 0 HH22 ARG A 38 51.018 52.043 -45.239 1.00 0.00 H new ATOM 651 N ALA A 39 46.828 58.159 -42.429 1.00 0.00 N ATOM 652 CA ALA A 39 45.569 57.439 -42.732 1.00 0.00 C ATOM 653 C ALA A 39 45.118 57.729 -44.160 1.00 0.00 C ATOM 654 O ALA A 39 45.618 58.617 -44.820 1.00 0.00 O ATOM 655 CB ALA A 39 44.488 57.929 -41.767 1.00 0.00 C ATOM 0 H ALA A 39 46.751 59.176 -42.400 1.00 0.00 H new ATOM 0 HA ALA A 39 45.733 56.367 -42.624 1.00 0.00 H new ATOM 0 HB1 ALA A 39 43.552 57.410 -41.975 1.00 0.00 H new ATOM 0 HB2 ALA A 39 44.796 57.725 -40.742 1.00 0.00 H new ATOM 0 HB3 ALA A 39 44.344 59.002 -41.896 1.00 0.00 H new ATOM 661 N ARG A 40 44.145 56.998 -44.625 1.00 0.00 N ATOM 662 CA ARG A 40 43.609 57.232 -45.990 1.00 0.00 C ATOM 663 C ARG A 40 42.160 57.680 -45.832 1.00 0.00 C ATOM 664 O ARG A 40 41.289 56.890 -45.529 1.00 0.00 O ATOM 665 CB ARG A 40 43.670 55.940 -46.807 1.00 0.00 C ATOM 666 CG ARG A 40 43.032 56.173 -48.179 1.00 0.00 C ATOM 667 CD ARG A 40 42.507 54.847 -48.730 1.00 0.00 C ATOM 668 NE ARG A 40 43.504 53.771 -48.467 1.00 0.00 N ATOM 669 CZ ARG A 40 43.144 52.519 -48.529 1.00 0.00 C ATOM 670 NH1 ARG A 40 42.293 52.129 -49.438 1.00 0.00 N ATOM 671 NH2 ARG A 40 43.637 51.656 -47.683 1.00 0.00 N ATOM 0 H ARG A 40 43.695 56.241 -44.111 1.00 0.00 H new ATOM 0 HA ARG A 40 44.196 57.988 -46.512 1.00 0.00 H new ATOM 0 HB2 ARG A 40 44.705 55.620 -46.925 1.00 0.00 H new ATOM 0 HB3 ARG A 40 43.147 55.140 -46.282 1.00 0.00 H new ATOM 0 HG2 ARG A 40 42.217 56.892 -48.095 1.00 0.00 H new ATOM 0 HG3 ARG A 40 43.764 56.599 -48.865 1.00 0.00 H new ATOM 0 HD2 ARG A 40 41.555 54.598 -48.262 1.00 0.00 H new ATOM 0 HD3 ARG A 40 42.323 54.933 -49.801 1.00 0.00 H new ATOM 0 HE ARG A 40 44.468 54.014 -48.238 1.00 0.00 H new ATOM 0 HH11 ARG A 40 41.909 52.803 -50.100 1.00 0.00 H new ATOM 0 HH12 ARG A 40 42.012 51.150 -49.486 1.00 0.00 H new ATOM 0 HH21 ARG A 40 44.304 51.961 -46.974 1.00 0.00 H new ATOM 0 HH22 ARG A 40 43.356 50.677 -47.731 1.00 0.00 H new ATOM 685 N ASP A 41 41.897 58.945 -45.994 1.00 0.00 N ATOM 686 CA ASP A 41 40.501 59.428 -45.806 1.00 0.00 C ATOM 687 C ASP A 41 39.537 58.595 -46.649 1.00 0.00 C ATOM 688 O ASP A 41 39.942 57.816 -47.490 1.00 0.00 O ATOM 689 CB ASP A 41 40.397 60.901 -46.198 1.00 0.00 C ATOM 690 CG ASP A 41 41.044 61.120 -47.567 1.00 0.00 C ATOM 691 OD1 ASP A 41 41.657 60.190 -48.066 1.00 0.00 O ATOM 692 OD2 ASP A 41 40.916 62.213 -48.092 1.00 0.00 O ATOM 0 H ASP A 41 42.580 59.660 -46.246 1.00 0.00 H new ATOM 0 HA ASP A 41 40.233 59.322 -44.755 1.00 0.00 H new ATOM 0 HB2 ASP A 41 39.351 61.206 -46.227 1.00 0.00 H new ATOM 0 HB3 ASP A 41 40.889 61.522 -45.449 1.00 0.00 H new ATOM 697 N LYS A 42 38.262 58.751 -46.422 1.00 0.00 N ATOM 698 CA LYS A 42 37.260 57.967 -47.200 1.00 0.00 C ATOM 699 C LYS A 42 37.270 58.424 -48.659 1.00 0.00 C ATOM 700 O LYS A 42 36.633 57.833 -49.507 1.00 0.00 O ATOM 701 CB LYS A 42 35.866 58.185 -46.606 1.00 0.00 C ATOM 702 CG LYS A 42 35.029 56.919 -46.794 1.00 0.00 C ATOM 703 CD LYS A 42 34.063 56.765 -45.616 1.00 0.00 C ATOM 704 CE LYS A 42 32.934 55.808 -46.004 1.00 0.00 C ATOM 705 NZ LYS A 42 31.699 56.165 -45.250 1.00 0.00 N ATOM 0 H LYS A 42 37.869 59.389 -45.730 1.00 0.00 H new ATOM 0 HA LYS A 42 37.514 56.908 -47.151 1.00 0.00 H new ATOM 0 HB2 LYS A 42 35.944 58.428 -45.546 1.00 0.00 H new ATOM 0 HB3 LYS A 42 35.380 59.031 -47.092 1.00 0.00 H new ATOM 0 HG2 LYS A 42 34.472 56.974 -47.730 1.00 0.00 H new ATOM 0 HG3 LYS A 42 35.679 56.047 -46.861 1.00 0.00 H new ATOM 0 HD2 LYS A 42 34.594 56.383 -44.744 1.00 0.00 H new ATOM 0 HD3 LYS A 42 33.652 57.736 -45.339 1.00 0.00 H new ATOM 0 HE2 LYS A 42 32.747 55.865 -47.076 1.00 0.00 H new ATOM 0 HE3 LYS A 42 33.223 54.780 -45.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 30.931 55.515 -45.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 31.882 56.090 -44.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 31.421 57.140 -45.481 1.00 0.00 H new ATOM 719 N ASN A 43 37.993 59.466 -48.962 1.00 0.00 N ATOM 720 CA ASN A 43 38.044 59.947 -50.370 1.00 0.00 C ATOM 721 C ASN A 43 39.023 59.080 -51.164 1.00 0.00 C ATOM 722 O ASN A 43 39.294 59.333 -52.322 1.00 0.00 O ATOM 723 CB ASN A 43 38.511 61.405 -50.399 1.00 0.00 C ATOM 724 CG ASN A 43 37.998 62.080 -51.672 1.00 0.00 C ATOM 725 OD1 ASN A 43 36.914 62.628 -51.689 1.00 0.00 O ATOM 726 ND2 ASN A 43 38.737 62.065 -52.748 1.00 0.00 N ATOM 0 H ASN A 43 38.549 60.004 -48.297 1.00 0.00 H new ATOM 0 HA ASN A 43 37.051 59.879 -50.815 1.00 0.00 H new ATOM 0 HB2 ASN A 43 38.142 61.934 -49.520 1.00 0.00 H new ATOM 0 HB3 ASN A 43 39.600 61.450 -50.364 1.00 0.00 H new ATOM 0 HD21 ASN A 43 38.404 62.513 -53.602 1.00 0.00 H new ATOM 0 HD22 ASN A 43 39.647 61.605 -52.735 1.00 0.00 H new ATOM 733 N GLY A 44 39.556 58.058 -50.551 1.00 0.00 N ATOM 734 CA GLY A 44 40.516 57.175 -51.268 1.00 0.00 C ATOM 735 C GLY A 44 41.839 57.913 -51.463 1.00 0.00 C ATOM 736 O GLY A 44 42.457 57.831 -52.507 1.00 0.00 O ATOM 0 H GLY A 44 39.367 57.797 -49.583 1.00 0.00 H new ATOM 0 HA2 GLY A 44 40.679 56.259 -50.700 1.00 0.00 H new ATOM 0 HA3 GLY A 44 40.105 56.882 -52.234 1.00 0.00 H new ATOM 740 N GLN A 45 42.289 58.629 -50.468 1.00 0.00 N ATOM 741 CA GLN A 45 43.570 59.359 -50.605 1.00 0.00 C ATOM 742 C GLN A 45 44.404 59.116 -49.352 1.00 0.00 C ATOM 743 O GLN A 45 44.037 59.522 -48.267 1.00 0.00 O ATOM 744 CB GLN A 45 43.293 60.857 -50.756 1.00 0.00 C ATOM 745 CG GLN A 45 44.302 61.469 -51.730 1.00 0.00 C ATOM 746 CD GLN A 45 43.574 61.941 -52.990 1.00 0.00 C ATOM 747 OE1 GLN A 45 42.374 62.128 -52.977 1.00 0.00 O ATOM 748 NE2 GLN A 45 44.254 62.142 -54.085 1.00 0.00 N ATOM 0 H GLN A 45 41.821 58.737 -49.568 1.00 0.00 H new ATOM 0 HA GLN A 45 44.108 59.007 -51.485 1.00 0.00 H new ATOM 0 HB2 GLN A 45 42.278 61.015 -51.121 1.00 0.00 H new ATOM 0 HB3 GLN A 45 43.363 61.350 -49.786 1.00 0.00 H new ATOM 0 HG2 GLN A 45 44.816 62.307 -51.259 1.00 0.00 H new ATOM 0 HG3 GLN A 45 45.063 60.734 -51.991 1.00 0.00 H new ATOM 0 HE21 GLN A 45 45.262 61.985 -54.096 1.00 0.00 H new ATOM 0 HE22 GLN A 45 43.778 62.456 -54.931 1.00 0.00 H new ATOM 757 N GLU A 46 45.520 58.456 -49.495 1.00 0.00 N ATOM 758 CA GLU A 46 46.383 58.192 -48.312 1.00 0.00 C ATOM 759 C GLU A 46 47.189 59.453 -48.019 1.00 0.00 C ATOM 760 O GLU A 46 47.766 60.048 -48.907 1.00 0.00 O ATOM 761 CB GLU A 46 47.326 57.028 -48.620 1.00 0.00 C ATOM 762 CG GLU A 46 46.567 55.959 -49.407 1.00 0.00 C ATOM 763 CD GLU A 46 47.197 54.589 -49.150 1.00 0.00 C ATOM 764 OE1 GLU A 46 47.032 54.080 -48.054 1.00 0.00 O ATOM 765 OE2 GLU A 46 47.833 54.072 -50.053 1.00 0.00 O ATOM 0 H GLU A 46 45.871 58.089 -50.380 1.00 0.00 H new ATOM 0 HA GLU A 46 45.775 57.930 -47.446 1.00 0.00 H new ATOM 0 HB2 GLU A 46 48.182 57.381 -49.195 1.00 0.00 H new ATOM 0 HB3 GLU A 46 47.716 56.606 -47.694 1.00 0.00 H new ATOM 0 HG2 GLU A 46 45.518 55.950 -49.110 1.00 0.00 H new ATOM 0 HG3 GLU A 46 46.594 56.189 -50.472 1.00 0.00 H new ATOM 772 N GLY A 47 47.220 59.884 -46.791 1.00 0.00 N ATOM 773 CA GLY A 47 47.976 61.124 -46.477 1.00 0.00 C ATOM 774 C GLY A 47 48.070 61.322 -44.969 1.00 0.00 C ATOM 775 O GLY A 47 47.793 60.430 -44.188 1.00 0.00 O ATOM 0 H GLY A 47 46.759 59.436 -45.999 1.00 0.00 H new ATOM 0 HA2 GLY A 47 48.977 61.066 -46.905 1.00 0.00 H new ATOM 0 HA3 GLY A 47 47.484 61.983 -46.933 1.00 0.00 H new ATOM 779 N TYR A 48 48.458 62.496 -44.555 1.00 0.00 N ATOM 780 CA TYR A 48 48.572 62.770 -43.099 1.00 0.00 C ATOM 781 C TYR A 48 47.267 63.391 -42.597 1.00 0.00 C ATOM 782 O TYR A 48 46.810 64.399 -43.099 1.00 0.00 O ATOM 783 CB TYR A 48 49.744 63.721 -42.834 1.00 0.00 C ATOM 784 CG TYR A 48 51.040 62.952 -42.921 1.00 0.00 C ATOM 785 CD1 TYR A 48 51.629 62.712 -44.168 1.00 0.00 C ATOM 786 CD2 TYR A 48 51.653 62.476 -41.756 1.00 0.00 C ATOM 787 CE1 TYR A 48 52.829 61.998 -44.251 1.00 0.00 C ATOM 788 CE2 TYR A 48 52.854 61.761 -41.837 1.00 0.00 C ATOM 789 CZ TYR A 48 53.443 61.521 -43.085 1.00 0.00 C ATOM 790 OH TYR A 48 54.626 60.816 -43.167 1.00 0.00 O ATOM 0 H TYR A 48 48.701 63.277 -45.164 1.00 0.00 H new ATOM 0 HA TYR A 48 48.755 61.836 -42.568 1.00 0.00 H new ATOM 0 HB2 TYR A 48 49.740 64.533 -43.561 1.00 0.00 H new ATOM 0 HB3 TYR A 48 49.643 64.175 -41.848 1.00 0.00 H new ATOM 0 HD1 TYR A 48 51.156 63.079 -45.067 1.00 0.00 H new ATOM 0 HD2 TYR A 48 51.199 62.661 -40.794 1.00 0.00 H new ATOM 0 HE1 TYR A 48 53.282 61.814 -45.214 1.00 0.00 H new ATOM 0 HE2 TYR A 48 53.326 61.395 -40.937 1.00 0.00 H new ATOM 0 HH TYR A 48 54.917 60.559 -42.267 1.00 0.00 H new ATOM 800 N ILE A 49 46.660 62.783 -41.618 1.00 0.00 N ATOM 801 CA ILE A 49 45.374 63.314 -41.082 1.00 0.00 C ATOM 802 C ILE A 49 45.609 63.880 -39.676 1.00 0.00 C ATOM 803 O ILE A 49 46.204 63.222 -38.850 1.00 0.00 O ATOM 804 CB ILE A 49 44.379 62.166 -41.013 1.00 0.00 C ATOM 805 CG1 ILE A 49 44.027 61.710 -42.427 1.00 0.00 C ATOM 806 CG2 ILE A 49 43.109 62.597 -40.275 1.00 0.00 C ATOM 807 CD1 ILE A 49 45.250 61.040 -43.050 1.00 0.00 C ATOM 0 H ILE A 49 47.000 61.936 -41.162 1.00 0.00 H new ATOM 0 HA ILE A 49 44.988 64.105 -41.725 1.00 0.00 H new ATOM 0 HB ILE A 49 44.833 61.340 -40.465 1.00 0.00 H new ATOM 0 HG12 ILE A 49 43.188 61.014 -42.401 1.00 0.00 H new ATOM 0 HG13 ILE A 49 43.715 62.562 -43.031 1.00 0.00 H new ATOM 0 HG21 ILE A 49 42.410 61.762 -40.236 1.00 0.00 H new ATOM 0 HG22 ILE A 49 43.364 62.904 -39.261 1.00 0.00 H new ATOM 0 HG23 ILE A 49 42.648 63.432 -40.802 1.00 0.00 H new ATOM 0 HD11 ILE A 49 45.009 60.710 -44.061 1.00 0.00 H new ATOM 0 HD12 ILE A 49 46.075 61.751 -43.087 1.00 0.00 H new ATOM 0 HD13 ILE A 49 45.540 60.179 -42.447 1.00 0.00 H new ATOM 819 N PRO A 50 45.137 65.083 -39.445 1.00 0.00 N ATOM 820 CA PRO A 50 45.294 65.766 -38.145 1.00 0.00 C ATOM 821 C PRO A 50 44.341 65.190 -37.097 1.00 0.00 C ATOM 822 O PRO A 50 43.167 64.997 -37.348 1.00 0.00 O ATOM 823 CB PRO A 50 44.948 67.224 -38.460 1.00 0.00 C ATOM 824 CG PRO A 50 44.088 67.201 -39.745 1.00 0.00 C ATOM 825 CD PRO A 50 44.397 65.869 -40.454 1.00 0.00 C ATOM 0 HA PRO A 50 46.293 65.648 -37.726 1.00 0.00 H new ATOM 0 HB2 PRO A 50 44.401 67.680 -37.635 1.00 0.00 H new ATOM 0 HB3 PRO A 50 45.852 67.814 -38.608 1.00 0.00 H new ATOM 0 HG2 PRO A 50 43.028 67.275 -39.504 1.00 0.00 H new ATOM 0 HG3 PRO A 50 44.328 68.048 -40.388 1.00 0.00 H new ATOM 0 HD2 PRO A 50 43.483 65.361 -40.763 1.00 0.00 H new ATOM 0 HD3 PRO A 50 44.994 66.025 -41.353 1.00 0.00 H new ATOM 832 N SER A 51 44.840 64.919 -35.920 1.00 0.00 N ATOM 833 CA SER A 51 43.968 64.365 -34.852 1.00 0.00 C ATOM 834 C SER A 51 43.674 65.454 -33.830 1.00 0.00 C ATOM 835 O SER A 51 42.792 65.323 -33.004 1.00 0.00 O ATOM 836 CB SER A 51 44.669 63.202 -34.169 1.00 0.00 C ATOM 837 OG SER A 51 44.381 63.223 -32.777 1.00 0.00 O ATOM 0 H SER A 51 45.815 65.059 -35.655 1.00 0.00 H new ATOM 0 HA SER A 51 43.035 64.012 -35.291 1.00 0.00 H new ATOM 0 HB2 SER A 51 44.339 62.259 -34.605 1.00 0.00 H new ATOM 0 HB3 SER A 51 45.745 63.268 -34.329 1.00 0.00 H new ATOM 0 HG SER A 51 45.135 63.619 -32.293 1.00 0.00 H new ATOM 843 N ASN A 52 44.385 66.547 -33.894 1.00 0.00 N ATOM 844 CA ASN A 52 44.113 67.650 -32.938 1.00 0.00 C ATOM 845 C ASN A 52 42.618 67.951 -32.984 1.00 0.00 C ATOM 846 O ASN A 52 42.054 68.521 -32.071 1.00 0.00 O ATOM 847 CB ASN A 52 44.904 68.895 -33.345 1.00 0.00 C ATOM 848 CG ASN A 52 44.870 69.049 -34.866 1.00 0.00 C ATOM 849 OD1 ASN A 52 43.910 68.666 -35.505 1.00 0.00 O ATOM 850 ND2 ASN A 52 45.885 69.597 -35.478 1.00 0.00 N ATOM 0 H ASN A 52 45.136 66.720 -34.562 1.00 0.00 H new ATOM 0 HA ASN A 52 44.413 67.363 -31.930 1.00 0.00 H new ATOM 0 HB2 ASN A 52 44.479 69.779 -32.870 1.00 0.00 H new ATOM 0 HB3 ASN A 52 45.935 68.812 -33.001 1.00 0.00 H new ATOM 0 HD21 ASN A 52 45.872 69.704 -36.492 1.00 0.00 H new ATOM 0 HD22 ASN A 52 46.691 69.919 -34.942 1.00 0.00 H new ATOM 857 N TYR A 53 41.967 67.554 -34.048 1.00 0.00 N ATOM 858 CA TYR A 53 40.501 67.793 -34.162 1.00 0.00 C ATOM 859 C TYR A 53 39.825 66.474 -34.558 1.00 0.00 C ATOM 860 O TYR A 53 39.852 65.523 -33.802 1.00 0.00 O ATOM 861 CB TYR A 53 40.241 68.871 -35.220 1.00 0.00 C ATOM 862 CG TYR A 53 40.841 70.180 -34.764 1.00 0.00 C ATOM 863 CD1 TYR A 53 40.526 70.691 -33.500 1.00 0.00 C ATOM 864 CD2 TYR A 53 41.711 70.882 -35.606 1.00 0.00 C ATOM 865 CE1 TYR A 53 41.081 71.905 -33.076 1.00 0.00 C ATOM 866 CE2 TYR A 53 42.266 72.096 -35.183 1.00 0.00 C ATOM 867 CZ TYR A 53 41.952 72.607 -33.919 1.00 0.00 C ATOM 868 OH TYR A 53 42.499 73.803 -33.502 1.00 0.00 O ATOM 0 H TYR A 53 42.390 67.074 -34.842 1.00 0.00 H new ATOM 0 HA TYR A 53 40.094 68.138 -33.212 1.00 0.00 H new ATOM 0 HB2 TYR A 53 40.676 68.572 -36.174 1.00 0.00 H new ATOM 0 HB3 TYR A 53 39.169 68.987 -35.381 1.00 0.00 H new ATOM 0 HD1 TYR A 53 39.854 70.149 -32.851 1.00 0.00 H new ATOM 0 HD2 TYR A 53 41.954 70.488 -36.582 1.00 0.00 H new ATOM 0 HE1 TYR A 53 40.838 72.299 -32.100 1.00 0.00 H new ATOM 0 HE2 TYR A 53 42.937 72.638 -35.833 1.00 0.00 H new ATOM 0 HH TYR A 53 43.081 74.159 -34.205 1.00 0.00 H new ATOM 878 N VAL A 54 39.242 66.399 -35.737 1.00 0.00 N ATOM 879 CA VAL A 54 38.589 65.131 -36.191 1.00 0.00 C ATOM 880 C VAL A 54 38.020 64.356 -35.016 1.00 0.00 C ATOM 881 O VAL A 54 37.565 64.921 -34.041 1.00 0.00 O ATOM 882 CB VAL A 54 39.619 64.276 -36.923 1.00 0.00 C ATOM 883 CG1 VAL A 54 40.319 65.127 -37.975 1.00 0.00 C ATOM 884 CG2 VAL A 54 40.638 63.739 -35.918 1.00 0.00 C ATOM 0 H VAL A 54 39.193 67.168 -36.405 1.00 0.00 H new ATOM 0 HA VAL A 54 37.765 65.381 -36.859 1.00 0.00 H new ATOM 0 HB VAL A 54 39.126 63.436 -37.412 1.00 0.00 H new ATOM 0 HG11 VAL A 54 41.056 64.521 -38.501 1.00 0.00 H new ATOM 0 HG12 VAL A 54 39.584 65.503 -38.686 1.00 0.00 H new ATOM 0 HG13 VAL A 54 40.818 65.966 -37.491 1.00 0.00 H new ATOM 0 HG21 VAL A 54 41.375 63.128 -36.439 1.00 0.00 H new ATOM 0 HG22 VAL A 54 41.140 64.573 -35.427 1.00 0.00 H new ATOM 0 HG23 VAL A 54 40.127 63.133 -35.170 1.00 0.00 H new ATOM 894 N THR A 55 38.016 63.065 -35.116 1.00 0.00 N ATOM 895 CA THR A 55 37.451 62.248 -34.031 1.00 0.00 C ATOM 896 C THR A 55 37.977 60.812 -34.180 1.00 0.00 C ATOM 897 O THR A 55 38.775 60.536 -35.048 1.00 0.00 O ATOM 898 CB THR A 55 35.924 62.354 -34.145 1.00 0.00 C ATOM 899 OG1 THR A 55 35.478 63.437 -33.343 1.00 0.00 O ATOM 900 CG2 THR A 55 35.209 61.077 -33.695 1.00 0.00 C ATOM 0 H THR A 55 38.383 62.540 -35.910 1.00 0.00 H new ATOM 0 HA THR A 55 37.744 62.587 -33.037 1.00 0.00 H new ATOM 0 HB THR A 55 35.683 62.512 -35.196 1.00 0.00 H new ATOM 0 HG1 THR A 55 36.058 64.213 -33.490 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.132 61.208 -33.797 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.533 60.241 -34.315 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.453 60.872 -32.653 1.00 0.00 H new ATOM 908 N GLU A 56 37.572 59.910 -33.335 1.00 0.00 N ATOM 909 CA GLU A 56 38.077 58.512 -33.417 1.00 0.00 C ATOM 910 C GLU A 56 39.605 58.517 -33.272 1.00 0.00 C ATOM 911 O GLU A 56 40.138 59.183 -32.406 1.00 0.00 O ATOM 912 CB GLU A 56 37.645 57.874 -34.734 1.00 0.00 C ATOM 913 CG GLU A 56 36.128 57.667 -34.726 1.00 0.00 C ATOM 914 CD GLU A 56 35.809 56.244 -34.263 1.00 0.00 C ATOM 915 OE1 GLU A 56 36.708 55.589 -33.763 1.00 0.00 O ATOM 916 OE2 GLU A 56 34.669 55.835 -34.416 1.00 0.00 O ATOM 0 H GLU A 56 36.905 60.082 -32.582 1.00 0.00 H new ATOM 0 HA GLU A 56 37.654 57.917 -32.608 1.00 0.00 H new ATOM 0 HB2 GLU A 56 37.932 58.511 -35.571 1.00 0.00 H new ATOM 0 HB3 GLU A 56 38.153 56.919 -34.872 1.00 0.00 H new ATOM 0 HG2 GLU A 56 35.655 58.391 -34.063 1.00 0.00 H new ATOM 0 HG3 GLU A 56 35.722 57.836 -35.723 1.00 0.00 H new ATOM 923 N ALA A 57 40.320 57.782 -34.084 1.00 0.00 N ATOM 924 CA ALA A 57 41.805 57.762 -33.949 1.00 0.00 C ATOM 925 C ALA A 57 42.325 59.185 -33.726 1.00 0.00 C ATOM 926 O ALA A 57 42.253 60.028 -34.595 1.00 0.00 O ATOM 927 CB ALA A 57 42.429 57.178 -35.218 1.00 0.00 C ATOM 0 H ALA A 57 39.942 57.198 -34.830 1.00 0.00 H new ATOM 0 HA ALA A 57 42.079 57.143 -33.095 1.00 0.00 H new ATOM 0 HB1 ALA A 57 43.514 57.165 -35.117 1.00 0.00 H new ATOM 0 HB2 ALA A 57 42.066 56.161 -35.367 1.00 0.00 H new ATOM 0 HB3 ALA A 57 42.152 57.792 -36.075 1.00 0.00 H new ATOM 933 N GLU A 58 42.846 59.460 -32.561 1.00 0.00 N ATOM 934 CA GLU A 58 43.367 60.829 -32.280 1.00 0.00 C ATOM 935 C GLU A 58 44.322 60.777 -31.087 1.00 0.00 C ATOM 936 O GLU A 58 44.619 59.682 -30.638 1.00 0.00 O ATOM 937 CB GLU A 58 42.197 61.762 -31.957 1.00 0.00 C ATOM 938 CG GLU A 58 41.501 61.287 -30.681 1.00 0.00 C ATOM 939 CD GLU A 58 40.102 61.903 -30.602 1.00 0.00 C ATOM 940 OE1 GLU A 58 39.386 61.826 -31.587 1.00 0.00 O ATOM 941 OE2 GLU A 58 39.772 62.440 -29.557 1.00 0.00 O ATOM 942 OXT GLU A 58 44.740 61.833 -30.641 1.00 0.00 O ATOM 0 H GLU A 58 42.934 58.796 -31.792 1.00 0.00 H new ATOM 0 HA GLU A 58 43.900 61.202 -33.155 1.00 0.00 H new ATOM 0 HB2 GLU A 58 42.557 62.783 -31.829 1.00 0.00 H new ATOM 0 HB3 GLU A 58 41.489 61.775 -32.786 1.00 0.00 H new ATOM 0 HG2 GLU A 58 41.432 60.199 -30.675 1.00 0.00 H new ATOM 0 HG3 GLU A 58 42.086 61.574 -29.807 1.00 0.00 H new