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 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= -0.0467 K(o=-0.047,f=-0.78) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot -140:sc= -2.18! USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) 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 -174:sc= 0.0829 USER MOD Single : A 52 ASN : amide:sc= -3.62! C(o=-3.6!,f=-6.7!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0648 USER MOD ----------------------------------------------------------------- ATOM 44 N LYS A 3 39.904 54.441 -37.027 1.00 0.00 N ATOM 45 CA LYS A 3 39.116 55.230 -38.015 1.00 0.00 C ATOM 46 C LYS A 3 39.002 56.681 -37.538 1.00 0.00 C ATOM 47 O LYS A 3 37.922 57.180 -37.295 1.00 0.00 O ATOM 48 CB LYS A 3 37.717 54.627 -38.147 1.00 0.00 C ATOM 49 CG LYS A 3 37.703 53.623 -39.299 1.00 0.00 C ATOM 50 CD LYS A 3 36.450 52.752 -39.201 1.00 0.00 C ATOM 51 CE LYS A 3 35.229 53.559 -39.649 1.00 0.00 C ATOM 52 NZ LYS A 3 34.187 52.632 -40.176 1.00 0.00 N ATOM 0 HA LYS A 3 39.617 55.204 -38.982 1.00 0.00 H new ATOM 0 HB2 LYS A 3 37.432 54.134 -37.217 1.00 0.00 H new ATOM 0 HB3 LYS A 3 36.985 55.414 -38.328 1.00 0.00 H new ATOM 0 HG2 LYS A 3 37.720 54.149 -40.254 1.00 0.00 H new ATOM 0 HG3 LYS A 3 38.596 52.999 -39.263 1.00 0.00 H new ATOM 0 HD2 LYS A 3 36.561 51.865 -39.825 1.00 0.00 H new ATOM 0 HD3 LYS A 3 36.314 52.406 -38.176 1.00 0.00 H new ATOM 0 HE2 LYS A 3 34.831 54.132 -38.811 1.00 0.00 H new ATOM 0 HE3 LYS A 3 35.516 54.276 -40.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 33.357 53.180 -40.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 34.570 52.104 -40.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 33.906 51.965 -39.429 1.00 0.00 H new ATOM 66 N VAL A 4 40.110 57.359 -37.408 1.00 0.00 N ATOM 67 CA VAL A 4 40.074 58.779 -36.949 1.00 0.00 C ATOM 68 C VAL A 4 39.011 59.540 -37.754 1.00 0.00 C ATOM 69 O VAL A 4 39.031 59.551 -38.968 1.00 0.00 O ATOM 70 CB VAL A 4 41.454 59.402 -37.159 1.00 0.00 C ATOM 71 CG1 VAL A 4 41.691 59.641 -38.647 1.00 0.00 C ATOM 72 CG2 VAL A 4 41.537 60.729 -36.417 1.00 0.00 C ATOM 0 H VAL A 4 41.041 56.990 -37.600 1.00 0.00 H new ATOM 0 HA VAL A 4 39.818 58.831 -35.891 1.00 0.00 H new ATOM 0 HB VAL A 4 42.214 58.722 -36.775 1.00 0.00 H new ATOM 0 HG11 VAL A 4 42.676 60.085 -38.792 1.00 0.00 H new ATOM 0 HG12 VAL A 4 41.639 58.692 -39.181 1.00 0.00 H new ATOM 0 HG13 VAL A 4 40.928 60.317 -39.033 1.00 0.00 H new ATOM 0 HG21 VAL A 4 42.522 61.170 -36.569 1.00 0.00 H new ATOM 0 HG22 VAL A 4 40.773 61.407 -36.798 1.00 0.00 H new ATOM 0 HG23 VAL A 4 41.375 60.561 -35.352 1.00 0.00 H new ATOM 82 N VAL A 5 38.057 60.146 -37.089 1.00 0.00 N ATOM 83 CA VAL A 5 36.974 60.865 -37.817 1.00 0.00 C ATOM 84 C VAL A 5 37.331 62.335 -38.071 1.00 0.00 C ATOM 85 O VAL A 5 37.609 63.078 -37.160 1.00 0.00 O ATOM 86 CB VAL A 5 35.681 60.747 -37.003 1.00 0.00 C ATOM 87 CG1 VAL A 5 35.111 62.128 -36.653 1.00 0.00 C ATOM 88 CG2 VAL A 5 34.673 59.970 -37.835 1.00 0.00 C ATOM 0 H VAL A 5 37.985 60.172 -36.072 1.00 0.00 H new ATOM 0 HA VAL A 5 36.841 60.407 -38.797 1.00 0.00 H new ATOM 0 HB VAL A 5 35.891 60.233 -36.065 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.194 62.008 -36.076 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.840 62.684 -36.064 1.00 0.00 H new ATOM 0 HG13 VAL A 5 34.893 62.675 -37.570 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.741 59.871 -37.278 1.00 0.00 H new ATOM 0 HG22 VAL A 5 34.484 60.502 -38.767 1.00 0.00 H new ATOM 0 HG23 VAL A 5 35.070 58.979 -38.056 1.00 0.00 H new ATOM 98 N ALA A 6 37.276 62.763 -39.301 1.00 0.00 N ATOM 99 CA ALA A 6 37.581 64.188 -39.612 1.00 0.00 C ATOM 100 C ALA A 6 36.785 65.107 -38.688 1.00 0.00 C ATOM 101 O ALA A 6 36.029 64.665 -37.846 1.00 0.00 O ATOM 102 CB ALA A 6 37.190 64.500 -41.057 1.00 0.00 C ATOM 0 H ALA A 6 37.032 62.186 -40.106 1.00 0.00 H new ATOM 0 HA ALA A 6 38.649 64.352 -39.469 1.00 0.00 H new ATOM 0 HB1 ALA A 6 37.416 65.543 -41.278 1.00 0.00 H new ATOM 0 HB2 ALA A 6 37.752 63.856 -41.733 1.00 0.00 H new ATOM 0 HB3 ALA A 6 36.123 64.323 -41.191 1.00 0.00 H new ATOM 108 N LEU A 7 36.953 66.389 -38.851 1.00 0.00 N ATOM 109 CA LEU A 7 36.218 67.361 -38.004 1.00 0.00 C ATOM 110 C LEU A 7 36.114 68.691 -38.749 1.00 0.00 C ATOM 111 O LEU A 7 35.038 69.212 -38.967 1.00 0.00 O ATOM 112 CB LEU A 7 36.991 67.571 -36.706 1.00 0.00 C ATOM 113 CG LEU A 7 36.030 67.574 -35.524 1.00 0.00 C ATOM 114 CD1 LEU A 7 35.163 68.833 -35.572 1.00 0.00 C ATOM 115 CD2 LEU A 7 35.136 66.333 -35.577 1.00 0.00 C ATOM 0 H LEU A 7 37.575 66.807 -39.543 1.00 0.00 H new ATOM 0 HA LEU A 7 35.220 66.984 -37.782 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.731 66.781 -36.582 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.535 68.514 -36.745 1.00 0.00 H new ATOM 0 HG LEU A 7 36.603 67.563 -34.597 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.476 68.834 -34.726 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.800 69.716 -35.523 1.00 0.00 H new ATOM 0 HD13 LEU A 7 34.594 68.848 -36.502 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.451 66.341 -34.729 1.00 0.00 H new ATOM 0 HD22 LEU A 7 34.564 66.336 -36.505 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.755 65.437 -35.535 1.00 0.00 H new ATOM 127 N TYR A 8 37.227 69.240 -39.143 1.00 0.00 N ATOM 128 CA TYR A 8 37.204 70.533 -39.877 1.00 0.00 C ATOM 129 C TYR A 8 37.938 70.371 -41.210 1.00 0.00 C ATOM 130 O TYR A 8 38.948 69.700 -41.295 1.00 0.00 O ATOM 131 CB TYR A 8 37.895 71.603 -39.031 1.00 0.00 C ATOM 132 CG TYR A 8 37.252 71.651 -37.663 1.00 0.00 C ATOM 133 CD1 TYR A 8 35.925 72.079 -37.528 1.00 0.00 C ATOM 134 CD2 TYR A 8 37.982 71.270 -36.530 1.00 0.00 C ATOM 135 CE1 TYR A 8 35.329 72.126 -36.263 1.00 0.00 C ATOM 136 CE2 TYR A 8 37.385 71.319 -35.263 1.00 0.00 C ATOM 137 CZ TYR A 8 36.059 71.747 -35.131 1.00 0.00 C ATOM 138 OH TYR A 8 35.471 71.795 -33.883 1.00 0.00 O ATOM 0 H TYR A 8 38.155 68.847 -38.987 1.00 0.00 H new ATOM 0 HA TYR A 8 36.174 70.833 -40.068 1.00 0.00 H new ATOM 0 HB2 TYR A 8 38.958 71.379 -38.938 1.00 0.00 H new ATOM 0 HB3 TYR A 8 37.815 72.575 -39.517 1.00 0.00 H new ATOM 0 HD1 TYR A 8 35.361 72.373 -38.401 1.00 0.00 H new ATOM 0 HD2 TYR A 8 39.005 70.939 -36.633 1.00 0.00 H new ATOM 0 HE1 TYR A 8 34.305 72.455 -36.160 1.00 0.00 H new ATOM 0 HE2 TYR A 8 37.948 71.027 -34.389 1.00 0.00 H new ATOM 0 HH TYR A 8 36.115 71.498 -33.206 1.00 0.00 H new ATOM 148 N ASP A 9 37.436 70.974 -42.252 1.00 0.00 N ATOM 149 CA ASP A 9 38.100 70.848 -43.581 1.00 0.00 C ATOM 150 C ASP A 9 39.588 71.168 -43.447 1.00 0.00 C ATOM 151 O ASP A 9 39.968 72.262 -43.078 1.00 0.00 O ATOM 152 CB ASP A 9 37.456 71.825 -44.567 1.00 0.00 C ATOM 153 CG ASP A 9 37.179 71.108 -45.890 1.00 0.00 C ATOM 154 OD1 ASP A 9 36.436 70.140 -45.872 1.00 0.00 O ATOM 155 OD2 ASP A 9 37.713 71.540 -46.899 1.00 0.00 O ATOM 0 H ASP A 9 36.594 71.549 -42.241 1.00 0.00 H new ATOM 0 HA ASP A 9 37.982 69.828 -43.947 1.00 0.00 H new ATOM 0 HB2 ASP A 9 36.527 72.217 -44.152 1.00 0.00 H new ATOM 0 HB3 ASP A 9 38.115 72.677 -44.734 1.00 0.00 H new ATOM 160 N TYR A 10 40.436 70.222 -43.747 1.00 0.00 N ATOM 161 CA TYR A 10 41.899 70.473 -43.641 1.00 0.00 C ATOM 162 C TYR A 10 42.587 70.032 -44.935 1.00 0.00 C ATOM 163 O TYR A 10 42.842 68.864 -45.147 1.00 0.00 O ATOM 164 CB TYR A 10 42.473 69.681 -42.465 1.00 0.00 C ATOM 165 CG TYR A 10 43.824 70.243 -42.092 1.00 0.00 C ATOM 166 CD1 TYR A 10 43.911 71.347 -41.235 1.00 0.00 C ATOM 167 CD2 TYR A 10 44.990 69.662 -42.604 1.00 0.00 C ATOM 168 CE1 TYR A 10 45.163 71.871 -40.893 1.00 0.00 C ATOM 169 CE2 TYR A 10 46.242 70.185 -42.261 1.00 0.00 C ATOM 170 CZ TYR A 10 46.329 71.289 -41.405 1.00 0.00 C ATOM 171 OH TYR A 10 47.564 71.804 -41.067 1.00 0.00 O ATOM 0 H TYR A 10 40.178 69.287 -44.061 1.00 0.00 H new ATOM 0 HA TYR A 10 42.072 71.537 -43.480 1.00 0.00 H new ATOM 0 HB2 TYR A 10 41.797 69.735 -41.612 1.00 0.00 H new ATOM 0 HB3 TYR A 10 42.566 68.628 -42.732 1.00 0.00 H new ATOM 0 HD1 TYR A 10 43.012 71.794 -40.838 1.00 0.00 H new ATOM 0 HD2 TYR A 10 44.923 68.810 -43.264 1.00 0.00 H new ATOM 0 HE1 TYR A 10 45.230 72.724 -40.234 1.00 0.00 H new ATOM 0 HE2 TYR A 10 47.141 69.737 -42.657 1.00 0.00 H new ATOM 0 HH TYR A 10 48.267 71.283 -41.507 1.00 0.00 H new ATOM 181 N MET A 11 42.882 70.960 -45.804 1.00 0.00 N ATOM 182 CA MET A 11 43.550 70.602 -47.082 1.00 0.00 C ATOM 183 C MET A 11 45.052 70.416 -46.837 1.00 0.00 C ATOM 184 O MET A 11 45.573 70.868 -45.837 1.00 0.00 O ATOM 185 CB MET A 11 43.333 71.725 -48.101 1.00 0.00 C ATOM 186 CG MET A 11 43.554 73.079 -47.425 1.00 0.00 C ATOM 187 SD MET A 11 44.248 74.244 -48.622 1.00 0.00 S ATOM 188 CE MET A 11 42.843 75.383 -48.673 1.00 0.00 C ATOM 0 H MET A 11 42.687 71.954 -45.681 1.00 0.00 H new ATOM 0 HA MET A 11 43.127 69.674 -47.468 1.00 0.00 H new ATOM 0 HB2 MET A 11 44.021 71.608 -48.938 1.00 0.00 H new ATOM 0 HB3 MET A 11 42.323 71.671 -48.508 1.00 0.00 H new ATOM 0 HG2 MET A 11 42.611 73.461 -47.035 1.00 0.00 H new ATOM 0 HG3 MET A 11 44.229 72.968 -46.576 1.00 0.00 H new ATOM 0 HE1 MET A 11 43.059 76.197 -49.365 1.00 0.00 H new ATOM 0 HE2 MET A 11 41.954 74.849 -49.008 1.00 0.00 H new ATOM 0 HE3 MET A 11 42.668 75.790 -47.677 1.00 0.00 H new ATOM 198 N PRO A 12 45.701 69.756 -47.761 1.00 0.00 N ATOM 199 CA PRO A 12 47.149 69.494 -47.676 1.00 0.00 C ATOM 200 C PRO A 12 47.938 70.751 -48.056 1.00 0.00 C ATOM 201 O PRO A 12 47.928 71.181 -49.192 1.00 0.00 O ATOM 202 CB PRO A 12 47.372 68.376 -48.698 1.00 0.00 C ATOM 203 CG PRO A 12 46.189 68.453 -49.693 1.00 0.00 C ATOM 204 CD PRO A 12 45.057 69.210 -48.973 1.00 0.00 C ATOM 0 HA PRO A 12 47.480 69.218 -46.675 1.00 0.00 H new ATOM 0 HB2 PRO A 12 48.323 68.506 -49.214 1.00 0.00 H new ATOM 0 HB3 PRO A 12 47.405 67.403 -48.208 1.00 0.00 H new ATOM 0 HG2 PRO A 12 46.483 68.972 -50.605 1.00 0.00 H new ATOM 0 HG3 PRO A 12 45.863 67.455 -49.985 1.00 0.00 H new ATOM 0 HD2 PRO A 12 44.648 70.003 -49.598 1.00 0.00 H new ATOM 0 HD3 PRO A 12 44.231 68.545 -48.720 1.00 0.00 H new ATOM 266 N ASP A 17 48.282 66.591 -45.885 1.00 0.00 N ATOM 267 CA ASP A 17 47.195 65.916 -45.122 1.00 0.00 C ATOM 268 C ASP A 17 46.031 65.598 -46.065 1.00 0.00 C ATOM 269 O ASP A 17 45.910 66.173 -47.128 1.00 0.00 O ATOM 270 CB ASP A 17 46.706 66.845 -44.008 1.00 0.00 C ATOM 271 CG ASP A 17 47.698 66.812 -42.845 1.00 0.00 C ATOM 272 OD1 ASP A 17 48.888 66.754 -43.109 1.00 0.00 O ATOM 273 OD2 ASP A 17 47.251 66.843 -41.710 1.00 0.00 O ATOM 0 HA ASP A 17 47.575 64.991 -44.688 1.00 0.00 H new ATOM 0 HB2 ASP A 17 46.606 67.862 -44.386 1.00 0.00 H new ATOM 0 HB3 ASP A 17 45.719 66.533 -43.667 1.00 0.00 H new ATOM 278 N LEU A 18 45.165 64.694 -45.687 1.00 0.00 N ATOM 279 CA LEU A 18 44.011 64.359 -46.568 1.00 0.00 C ATOM 280 C LEU A 18 42.934 65.428 -46.391 1.00 0.00 C ATOM 281 O LEU A 18 42.459 65.666 -45.299 1.00 0.00 O ATOM 282 CB LEU A 18 43.433 62.998 -46.141 1.00 0.00 C ATOM 283 CG LEU A 18 43.869 61.827 -47.051 1.00 0.00 C ATOM 284 CD1 LEU A 18 44.850 62.263 -48.147 1.00 0.00 C ATOM 285 CD2 LEU A 18 44.534 60.764 -46.175 1.00 0.00 C ATOM 0 H LEU A 18 45.208 64.176 -44.809 1.00 0.00 H new ATOM 0 HA LEU A 18 44.334 64.316 -47.608 1.00 0.00 H new ATOM 0 HB2 LEU A 18 43.742 62.786 -45.118 1.00 0.00 H new ATOM 0 HB3 LEU A 18 42.345 63.060 -46.139 1.00 0.00 H new ATOM 0 HG LEU A 18 42.982 61.439 -47.552 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.122 61.401 -48.756 1.00 0.00 H new ATOM 0 HD12 LEU A 18 44.380 63.018 -48.777 1.00 0.00 H new ATOM 0 HD13 LEU A 18 45.746 62.681 -47.688 1.00 0.00 H new ATOM 0 HD21 LEU A 18 44.851 59.926 -46.796 1.00 0.00 H new ATOM 0 HD22 LEU A 18 45.402 61.195 -45.677 1.00 0.00 H new ATOM 0 HD23 LEU A 18 43.823 60.413 -45.427 1.00 0.00 H new ATOM 297 N GLN A 19 42.543 66.078 -47.457 1.00 0.00 N ATOM 298 CA GLN A 19 41.494 67.128 -47.341 1.00 0.00 C ATOM 299 C GLN A 19 40.335 66.577 -46.510 1.00 0.00 C ATOM 300 O GLN A 19 39.453 65.914 -47.019 1.00 0.00 O ATOM 301 CB GLN A 19 40.992 67.511 -48.735 1.00 0.00 C ATOM 302 CG GLN A 19 39.965 68.638 -48.618 1.00 0.00 C ATOM 303 CD GLN A 19 39.694 69.230 -50.001 1.00 0.00 C ATOM 304 OE1 GLN A 19 40.604 69.423 -50.782 1.00 0.00 O ATOM 305 NE2 GLN A 19 38.469 69.528 -50.341 1.00 0.00 N ATOM 0 H GLN A 19 42.905 65.926 -48.398 1.00 0.00 H new ATOM 0 HA GLN A 19 41.908 68.013 -46.858 1.00 0.00 H new ATOM 0 HB2 GLN A 19 41.827 67.830 -49.359 1.00 0.00 H new ATOM 0 HB3 GLN A 19 40.543 66.645 -49.222 1.00 0.00 H new ATOM 0 HG2 GLN A 19 39.039 68.257 -48.187 1.00 0.00 H new ATOM 0 HG3 GLN A 19 40.335 69.412 -47.946 1.00 0.00 H new ATOM 0 HE21 GLN A 19 37.704 69.366 -49.686 1.00 0.00 H new ATOM 0 HE22 GLN A 19 38.277 69.922 -51.262 1.00 0.00 H new ATOM 314 N LEU A 20 40.341 66.833 -45.232 1.00 0.00 N ATOM 315 CA LEU A 20 39.252 66.310 -44.364 1.00 0.00 C ATOM 316 C LEU A 20 37.890 66.730 -44.911 1.00 0.00 C ATOM 317 O LEU A 20 37.761 67.715 -45.609 1.00 0.00 O ATOM 318 CB LEU A 20 39.416 66.858 -42.947 1.00 0.00 C ATOM 319 CG LEU A 20 40.681 66.285 -42.293 1.00 0.00 C ATOM 320 CD1 LEU A 20 40.456 66.196 -40.789 1.00 0.00 C ATOM 321 CD2 LEU A 20 40.991 64.880 -42.833 1.00 0.00 C ATOM 0 H LEU A 20 41.054 67.382 -44.751 1.00 0.00 H new ATOM 0 HA LEU A 20 39.310 65.222 -44.348 1.00 0.00 H new ATOM 0 HB2 LEU A 20 39.475 67.946 -42.976 1.00 0.00 H new ATOM 0 HB3 LEU A 20 38.542 66.602 -42.348 1.00 0.00 H new ATOM 0 HG LEU A 20 41.522 66.940 -42.522 1.00 0.00 H new ATOM 0 HD11 LEU A 20 41.348 65.790 -40.311 1.00 0.00 H new ATOM 0 HD12 LEU A 20 40.252 67.191 -40.392 1.00 0.00 H new ATOM 0 HD13 LEU A 20 39.607 65.544 -40.586 1.00 0.00 H new ATOM 0 HD21 LEU A 20 41.892 64.497 -42.354 1.00 0.00 H new ATOM 0 HD22 LEU A 20 40.155 64.215 -42.618 1.00 0.00 H new ATOM 0 HD23 LEU A 20 41.147 64.931 -43.911 1.00 0.00 H new ATOM 333 N ARG A 21 36.870 65.990 -44.579 1.00 0.00 N ATOM 334 CA ARG A 21 35.503 66.340 -45.056 1.00 0.00 C ATOM 335 C ARG A 21 34.562 66.366 -43.858 1.00 0.00 C ATOM 336 O ARG A 21 33.372 66.168 -43.977 1.00 0.00 O ATOM 337 CB ARG A 21 35.021 65.301 -46.073 1.00 0.00 C ATOM 338 CG ARG A 21 33.602 65.653 -46.528 1.00 0.00 C ATOM 339 CD ARG A 21 33.377 65.135 -47.950 1.00 0.00 C ATOM 340 NE ARG A 21 32.090 65.675 -48.475 1.00 0.00 N ATOM 341 CZ ARG A 21 30.984 65.003 -48.310 1.00 0.00 C ATOM 342 NH1 ARG A 21 30.864 64.179 -47.305 1.00 0.00 N ATOM 343 NH2 ARG A 21 29.997 65.155 -49.151 1.00 0.00 N ATOM 0 H ARG A 21 36.924 65.155 -43.996 1.00 0.00 H new ATOM 0 HA ARG A 21 35.519 67.317 -45.539 1.00 0.00 H new ATOM 0 HB2 ARG A 21 35.694 65.276 -46.930 1.00 0.00 H new ATOM 0 HB3 ARG A 21 35.035 64.306 -45.628 1.00 0.00 H new ATOM 0 HG2 ARG A 21 32.872 65.212 -45.850 1.00 0.00 H new ATOM 0 HG3 ARG A 21 33.456 66.733 -46.496 1.00 0.00 H new ATOM 0 HD2 ARG A 21 34.202 65.439 -48.595 1.00 0.00 H new ATOM 0 HD3 ARG A 21 33.355 64.045 -47.953 1.00 0.00 H new ATOM 0 HE ARG A 21 32.074 66.570 -48.963 1.00 0.00 H new ATOM 0 HH11 ARG A 21 31.635 64.060 -46.648 1.00 0.00 H new ATOM 0 HH12 ARG A 21 29.999 63.654 -47.177 1.00 0.00 H new ATOM 0 HH21 ARG A 21 30.091 65.799 -49.937 1.00 0.00 H new ATOM 0 HH22 ARG A 21 29.132 64.630 -49.023 1.00 0.00 H new ATOM 357 N LYS A 22 35.118 66.620 -42.707 1.00 0.00 N ATOM 358 CA LYS A 22 34.321 66.680 -41.446 1.00 0.00 C ATOM 359 C LYS A 22 33.152 65.695 -41.492 1.00 0.00 C ATOM 360 O LYS A 22 32.112 65.977 -42.055 1.00 0.00 O ATOM 361 CB LYS A 22 33.773 68.092 -41.250 1.00 0.00 C ATOM 362 CG LYS A 22 34.806 69.113 -41.723 1.00 0.00 C ATOM 363 CD LYS A 22 34.145 70.489 -41.852 1.00 0.00 C ATOM 364 CE LYS A 22 32.854 70.367 -42.664 1.00 0.00 C ATOM 365 NZ LYS A 22 32.580 71.655 -43.361 1.00 0.00 N ATOM 0 H LYS A 22 36.116 66.793 -42.583 1.00 0.00 H new ATOM 0 HA LYS A 22 34.976 66.413 -40.617 1.00 0.00 H new ATOM 0 HB2 LYS A 22 32.845 68.213 -41.808 1.00 0.00 H new ATOM 0 HB3 LYS A 22 33.537 68.259 -40.199 1.00 0.00 H new ATOM 0 HG2 LYS A 22 35.635 69.161 -41.017 1.00 0.00 H new ATOM 0 HG3 LYS A 22 35.222 68.807 -42.683 1.00 0.00 H new ATOM 0 HD2 LYS A 22 33.927 70.893 -40.863 1.00 0.00 H new ATOM 0 HD3 LYS A 22 34.827 71.187 -42.338 1.00 0.00 H new ATOM 0 HE2 LYS A 22 32.944 69.560 -43.391 1.00 0.00 H new ATOM 0 HE3 LYS A 22 32.022 70.113 -42.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 31.702 71.571 -43.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 32.476 72.415 -42.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 33.370 71.879 -43.999 1.00 0.00 H new ATOM 379 N GLY A 23 33.306 64.549 -40.897 1.00 0.00 N ATOM 380 CA GLY A 23 32.195 63.556 -40.906 1.00 0.00 C ATOM 381 C GLY A 23 32.750 62.196 -41.317 1.00 0.00 C ATOM 382 O GLY A 23 32.851 61.288 -40.515 1.00 0.00 O ATOM 0 H GLY A 23 34.150 64.255 -40.405 1.00 0.00 H new ATOM 0 HA2 GLY A 23 31.738 63.493 -39.919 1.00 0.00 H new ATOM 0 HA3 GLY A 23 31.415 63.870 -41.599 1.00 0.00 H new ATOM 386 N ASP A 24 33.128 62.051 -42.555 1.00 0.00 N ATOM 387 CA ASP A 24 33.693 60.752 -43.001 1.00 0.00 C ATOM 388 C ASP A 24 34.843 60.386 -42.066 1.00 0.00 C ATOM 389 O ASP A 24 35.473 61.247 -41.486 1.00 0.00 O ATOM 390 CB ASP A 24 34.213 60.882 -44.435 1.00 0.00 C ATOM 391 CG ASP A 24 33.084 61.366 -45.345 1.00 0.00 C ATOM 392 OD1 ASP A 24 32.017 61.658 -44.829 1.00 0.00 O ATOM 393 OD2 ASP A 24 33.303 61.437 -46.544 1.00 0.00 O ATOM 0 H ASP A 24 33.070 62.773 -43.273 1.00 0.00 H new ATOM 0 HA ASP A 24 32.926 59.978 -42.975 1.00 0.00 H new ATOM 0 HB2 ASP A 24 35.047 61.583 -44.468 1.00 0.00 H new ATOM 0 HB3 ASP A 24 34.590 59.921 -44.785 1.00 0.00 H new ATOM 398 N GLU A 25 35.124 59.127 -41.903 1.00 0.00 N ATOM 399 CA GLU A 25 36.236 58.740 -40.993 1.00 0.00 C ATOM 400 C GLU A 25 37.478 58.414 -41.813 1.00 0.00 C ATOM 401 O GLU A 25 37.439 58.348 -43.026 1.00 0.00 O ATOM 402 CB GLU A 25 35.827 57.521 -40.166 1.00 0.00 C ATOM 403 CG GLU A 25 34.359 57.652 -39.756 1.00 0.00 C ATOM 404 CD GLU A 25 33.508 56.684 -40.582 1.00 0.00 C ATOM 405 OE1 GLU A 25 34.078 55.788 -41.181 1.00 0.00 O ATOM 406 OE2 GLU A 25 32.300 56.857 -40.602 1.00 0.00 O ATOM 0 H GLU A 25 34.637 58.353 -42.356 1.00 0.00 H new ATOM 0 HA GLU A 25 36.456 59.569 -40.321 1.00 0.00 H new ATOM 0 HB2 GLU A 25 35.974 56.609 -40.745 1.00 0.00 H new ATOM 0 HB3 GLU A 25 36.457 57.441 -39.280 1.00 0.00 H new ATOM 0 HG2 GLU A 25 34.247 57.436 -38.694 1.00 0.00 H new ATOM 0 HG3 GLU A 25 34.017 58.676 -39.911 1.00 0.00 H new ATOM 413 N TYR A 26 38.589 58.233 -41.158 1.00 0.00 N ATOM 414 CA TYR A 26 39.845 57.940 -41.889 1.00 0.00 C ATOM 415 C TYR A 26 40.545 56.744 -41.233 1.00 0.00 C ATOM 416 O TYR A 26 40.688 56.676 -40.027 1.00 0.00 O ATOM 417 CB TYR A 26 40.756 59.174 -41.832 1.00 0.00 C ATOM 418 CG TYR A 26 40.013 60.392 -42.342 1.00 0.00 C ATOM 419 CD1 TYR A 26 38.839 60.836 -41.711 1.00 0.00 C ATOM 420 CD2 TYR A 26 40.498 61.077 -43.460 1.00 0.00 C ATOM 421 CE1 TYR A 26 38.159 61.954 -42.207 1.00 0.00 C ATOM 422 CE2 TYR A 26 39.813 62.194 -43.952 1.00 0.00 C ATOM 423 CZ TYR A 26 38.643 62.629 -43.327 1.00 0.00 C ATOM 424 OH TYR A 26 37.966 63.728 -43.814 1.00 0.00 O ATOM 0 H TYR A 26 38.679 58.276 -40.143 1.00 0.00 H new ATOM 0 HA TYR A 26 39.625 57.699 -42.929 1.00 0.00 H new ATOM 0 HB2 TYR A 26 41.089 59.343 -40.808 1.00 0.00 H new ATOM 0 HB3 TYR A 26 41.649 59.005 -42.433 1.00 0.00 H new ATOM 0 HD1 TYR A 26 38.461 60.315 -40.844 1.00 0.00 H new ATOM 0 HD2 TYR A 26 41.403 60.743 -43.945 1.00 0.00 H new ATOM 0 HE1 TYR A 26 37.257 62.295 -41.721 1.00 0.00 H new ATOM 0 HE2 TYR A 26 40.190 62.720 -44.816 1.00 0.00 H new ATOM 0 HH TYR A 26 37.968 63.706 -44.794 1.00 0.00 H new ATOM 434 N PHE A 27 40.985 55.804 -42.023 1.00 0.00 N ATOM 435 CA PHE A 27 41.679 54.612 -41.460 1.00 0.00 C ATOM 436 C PHE A 27 43.146 54.957 -41.255 1.00 0.00 C ATOM 437 O PHE A 27 43.799 55.477 -42.136 1.00 0.00 O ATOM 438 CB PHE A 27 41.555 53.436 -42.431 1.00 0.00 C ATOM 439 CG PHE A 27 40.130 53.336 -42.922 1.00 0.00 C ATOM 440 CD1 PHE A 27 39.096 53.075 -42.015 1.00 0.00 C ATOM 441 CD2 PHE A 27 39.845 53.503 -44.282 1.00 0.00 C ATOM 442 CE1 PHE A 27 37.775 52.982 -42.470 1.00 0.00 C ATOM 443 CE2 PHE A 27 38.525 53.411 -44.736 1.00 0.00 C ATOM 444 CZ PHE A 27 37.490 53.150 -43.831 1.00 0.00 C ATOM 0 H PHE A 27 40.893 55.810 -43.039 1.00 0.00 H new ATOM 0 HA PHE A 27 41.226 54.332 -40.509 1.00 0.00 H new ATOM 0 HB2 PHE A 27 42.232 53.574 -43.274 1.00 0.00 H new ATOM 0 HB3 PHE A 27 41.846 52.510 -41.936 1.00 0.00 H new ATOM 0 HD1 PHE A 27 39.317 52.946 -40.966 1.00 0.00 H new ATOM 0 HD2 PHE A 27 40.644 53.703 -44.981 1.00 0.00 H new ATOM 0 HE1 PHE A 27 36.976 52.781 -41.772 1.00 0.00 H new ATOM 0 HE2 PHE A 27 38.305 53.541 -45.785 1.00 0.00 H new ATOM 0 HZ PHE A 27 36.471 53.078 -44.182 1.00 0.00 H new ATOM 454 N ILE A 28 43.664 54.696 -40.091 1.00 0.00 N ATOM 455 CA ILE A 28 45.082 55.041 -39.823 1.00 0.00 C ATOM 456 C ILE A 28 46.021 53.953 -40.319 1.00 0.00 C ATOM 457 O ILE A 28 46.298 52.986 -39.640 1.00 0.00 O ATOM 458 CB ILE A 28 45.275 55.251 -38.326 1.00 0.00 C ATOM 459 CG1 ILE A 28 44.170 56.176 -37.791 1.00 0.00 C ATOM 460 CG2 ILE A 28 46.644 55.886 -38.084 1.00 0.00 C ATOM 461 CD1 ILE A 28 43.822 57.248 -38.836 1.00 0.00 C ATOM 0 H ILE A 28 43.167 54.259 -39.315 1.00 0.00 H new ATOM 0 HA ILE A 28 45.321 55.958 -40.361 1.00 0.00 H new ATOM 0 HB ILE A 28 45.220 54.294 -37.808 1.00 0.00 H new ATOM 0 HG12 ILE A 28 43.282 55.592 -37.549 1.00 0.00 H new ATOM 0 HG13 ILE A 28 44.500 56.652 -36.867 1.00 0.00 H new ATOM 0 HG21 ILE A 28 46.790 56.040 -37.015 1.00 0.00 H new ATOM 0 HG22 ILE A 28 47.424 55.227 -38.466 1.00 0.00 H new ATOM 0 HG23 ILE A 28 46.696 56.845 -38.599 1.00 0.00 H new ATOM 0 HD11 ILE A 28 43.038 57.897 -38.445 1.00 0.00 H new ATOM 0 HD12 ILE A 28 44.709 57.843 -39.056 1.00 0.00 H new ATOM 0 HD13 ILE A 28 43.472 56.766 -39.749 1.00 0.00 H new ATOM 473 N LEU A 29 46.539 54.135 -41.498 1.00 0.00 N ATOM 474 CA LEU A 29 47.494 53.162 -42.059 1.00 0.00 C ATOM 475 C LEU A 29 48.788 53.219 -41.239 1.00 0.00 C ATOM 476 O LEU A 29 49.681 52.413 -41.412 1.00 0.00 O ATOM 477 CB LEU A 29 47.776 53.566 -43.504 1.00 0.00 C ATOM 478 CG LEU A 29 46.554 53.267 -44.374 1.00 0.00 C ATOM 479 CD1 LEU A 29 46.033 51.862 -44.075 1.00 0.00 C ATOM 480 CD2 LEU A 29 45.454 54.288 -44.090 1.00 0.00 C ATOM 0 H LEU A 29 46.334 54.931 -42.101 1.00 0.00 H new ATOM 0 HA LEU A 29 47.093 52.149 -42.026 1.00 0.00 H new ATOM 0 HB2 LEU A 29 48.018 54.628 -43.554 1.00 0.00 H new ATOM 0 HB3 LEU A 29 48.643 53.023 -43.880 1.00 0.00 H new ATOM 0 HG LEU A 29 46.843 53.328 -45.423 1.00 0.00 H new ATOM 0 HD11 LEU A 29 45.163 51.656 -44.698 1.00 0.00 H new ATOM 0 HD12 LEU A 29 46.813 51.131 -44.289 1.00 0.00 H new ATOM 0 HD13 LEU A 29 45.751 51.795 -43.024 1.00 0.00 H new ATOM 0 HD21 LEU A 29 44.586 54.070 -44.712 1.00 0.00 H new ATOM 0 HD22 LEU A 29 45.170 54.234 -43.039 1.00 0.00 H new ATOM 0 HD23 LEU A 29 45.820 55.290 -44.316 1.00 0.00 H new ATOM 492 N GLU A 30 48.892 54.171 -40.345 1.00 0.00 N ATOM 493 CA GLU A 30 50.119 54.292 -39.511 1.00 0.00 C ATOM 494 C GLU A 30 49.955 55.484 -38.567 1.00 0.00 C ATOM 495 O GLU A 30 49.094 56.319 -38.755 1.00 0.00 O ATOM 496 CB GLU A 30 51.335 54.513 -40.413 1.00 0.00 C ATOM 497 CG GLU A 30 52.567 53.864 -39.777 1.00 0.00 C ATOM 498 CD GLU A 30 53.814 54.240 -40.578 1.00 0.00 C ATOM 499 OE1 GLU A 30 53.888 55.371 -41.027 1.00 0.00 O ATOM 500 OE2 GLU A 30 54.675 53.389 -40.729 1.00 0.00 O ATOM 0 H GLU A 30 48.174 54.871 -40.159 1.00 0.00 H new ATOM 0 HA GLU A 30 50.267 53.379 -38.934 1.00 0.00 H new ATOM 0 HB2 GLU A 30 51.153 54.084 -41.398 1.00 0.00 H new ATOM 0 HB3 GLU A 30 51.506 55.580 -40.556 1.00 0.00 H new ATOM 0 HG2 GLU A 30 52.672 54.195 -38.744 1.00 0.00 H new ATOM 0 HG3 GLU A 30 52.449 52.781 -39.755 1.00 0.00 H new ATOM 507 N GLU A 31 50.770 55.574 -37.552 1.00 0.00 N ATOM 508 CA GLU A 31 50.646 56.718 -36.605 1.00 0.00 C ATOM 509 C GLU A 31 52.040 57.184 -36.180 1.00 0.00 C ATOM 510 O GLU A 31 53.042 56.653 -36.617 1.00 0.00 O ATOM 511 CB GLU A 31 49.859 56.275 -35.369 1.00 0.00 C ATOM 512 CG GLU A 31 50.404 54.936 -34.867 1.00 0.00 C ATOM 513 CD GLU A 31 49.249 54.075 -34.351 1.00 0.00 C ATOM 514 OE1 GLU A 31 48.601 53.438 -35.165 1.00 0.00 O ATOM 515 OE2 GLU A 31 49.032 54.068 -33.150 1.00 0.00 O ATOM 0 H GLU A 31 51.513 54.909 -37.338 1.00 0.00 H new ATOM 0 HA GLU A 31 50.122 57.539 -37.095 1.00 0.00 H new ATOM 0 HB2 GLU A 31 49.939 57.028 -34.585 1.00 0.00 H new ATOM 0 HB3 GLU A 31 48.801 56.180 -35.614 1.00 0.00 H new ATOM 0 HG2 GLU A 31 50.925 54.419 -35.672 1.00 0.00 H new ATOM 0 HG3 GLU A 31 51.131 55.102 -34.072 1.00 0.00 H new ATOM 522 N SER A 32 52.113 58.173 -35.332 1.00 0.00 N ATOM 523 CA SER A 32 53.443 58.672 -34.880 1.00 0.00 C ATOM 524 C SER A 32 53.252 59.663 -33.730 1.00 0.00 C ATOM 525 O SER A 32 52.205 59.722 -33.115 1.00 0.00 O ATOM 526 CB SER A 32 54.147 59.372 -36.043 1.00 0.00 C ATOM 527 OG SER A 32 55.536 59.074 -35.999 1.00 0.00 O ATOM 0 H SER A 32 51.309 58.657 -34.932 1.00 0.00 H new ATOM 0 HA SER A 32 54.049 57.832 -34.540 1.00 0.00 H new ATOM 0 HB2 SER A 32 53.723 59.043 -36.991 1.00 0.00 H new ATOM 0 HB3 SER A 32 53.992 60.449 -35.982 1.00 0.00 H new ATOM 0 HG SER A 32 55.990 59.520 -36.744 1.00 0.00 H new ATOM 533 N ASN A 33 54.255 60.444 -33.433 1.00 0.00 N ATOM 534 CA ASN A 33 54.130 61.430 -32.323 1.00 0.00 C ATOM 535 C ASN A 33 53.340 62.646 -32.809 1.00 0.00 C ATOM 536 O ASN A 33 52.429 63.110 -32.150 1.00 0.00 O ATOM 537 CB ASN A 33 55.525 61.872 -31.876 1.00 0.00 C ATOM 538 CG ASN A 33 56.291 60.668 -31.327 1.00 0.00 C ATOM 539 OD1 ASN A 33 56.110 60.286 -30.188 1.00 0.00 O ATOM 540 ND2 ASN A 33 57.145 60.048 -32.095 1.00 0.00 N ATOM 0 H ASN A 33 55.156 60.441 -33.912 1.00 0.00 H new ATOM 0 HA ASN A 33 53.608 60.970 -31.484 1.00 0.00 H new ATOM 0 HB2 ASN A 33 56.066 62.308 -32.716 1.00 0.00 H new ATOM 0 HB3 ASN A 33 55.445 62.645 -31.112 1.00 0.00 H new ATOM 0 HD21 ASN A 33 57.660 59.243 -31.739 1.00 0.00 H new ATOM 0 HD22 ASN A 33 57.297 60.369 -33.051 1.00 0.00 H new ATOM 547 N LEU A 34 53.680 63.163 -33.957 1.00 0.00 N ATOM 548 CA LEU A 34 52.950 64.347 -34.493 1.00 0.00 C ATOM 549 C LEU A 34 51.444 64.158 -34.276 1.00 0.00 C ATOM 550 O LEU A 34 50.994 63.064 -34.001 1.00 0.00 O ATOM 551 CB LEU A 34 53.241 64.481 -35.991 1.00 0.00 C ATOM 552 CG LEU A 34 54.557 65.233 -36.188 1.00 0.00 C ATOM 553 CD1 LEU A 34 55.371 64.558 -37.294 1.00 0.00 C ATOM 554 CD2 LEU A 34 54.261 66.681 -36.587 1.00 0.00 C ATOM 0 H LEU A 34 54.434 62.816 -34.549 1.00 0.00 H new ATOM 0 HA LEU A 34 53.278 65.248 -33.975 1.00 0.00 H new ATOM 0 HB2 LEU A 34 53.301 63.494 -36.451 1.00 0.00 H new ATOM 0 HB3 LEU A 34 52.428 65.014 -36.484 1.00 0.00 H new ATOM 0 HG LEU A 34 55.125 65.219 -35.258 1.00 0.00 H new ATOM 0 HD11 LEU A 34 56.309 65.095 -37.434 1.00 0.00 H new ATOM 0 HD12 LEU A 34 55.582 63.526 -37.013 1.00 0.00 H new ATOM 0 HD13 LEU A 34 54.803 64.572 -38.224 1.00 0.00 H new ATOM 0 HD21 LEU A 34 55.199 67.219 -36.728 1.00 0.00 H new ATOM 0 HD22 LEU A 34 53.693 66.693 -37.517 1.00 0.00 H new ATOM 0 HD23 LEU A 34 53.681 67.164 -35.801 1.00 0.00 H new ATOM 566 N PRO A 35 50.710 65.235 -34.406 1.00 0.00 N ATOM 567 CA PRO A 35 49.248 65.221 -34.229 1.00 0.00 C ATOM 568 C PRO A 35 48.568 64.591 -35.447 1.00 0.00 C ATOM 569 O PRO A 35 47.486 64.046 -35.353 1.00 0.00 O ATOM 570 CB PRO A 35 48.886 66.704 -34.093 1.00 0.00 C ATOM 571 CG PRO A 35 50.043 67.496 -34.744 1.00 0.00 C ATOM 572 CD PRO A 35 51.268 66.562 -34.745 1.00 0.00 C ATOM 0 HA PRO A 35 48.924 64.634 -33.370 1.00 0.00 H new ATOM 0 HB2 PRO A 35 47.940 66.920 -34.589 1.00 0.00 H new ATOM 0 HB3 PRO A 35 48.767 66.980 -33.045 1.00 0.00 H new ATOM 0 HG2 PRO A 35 49.784 67.797 -35.759 1.00 0.00 H new ATOM 0 HG3 PRO A 35 50.251 68.408 -34.185 1.00 0.00 H new ATOM 0 HD2 PRO A 35 51.760 66.551 -35.718 1.00 0.00 H new ATOM 0 HD3 PRO A 35 52.012 66.880 -34.015 1.00 0.00 H new ATOM 579 N TRP A 36 49.197 64.649 -36.589 1.00 0.00 N ATOM 580 CA TRP A 36 48.586 64.040 -37.804 1.00 0.00 C ATOM 581 C TRP A 36 49.247 62.685 -38.066 1.00 0.00 C ATOM 582 O TRP A 36 50.392 62.473 -37.722 1.00 0.00 O ATOM 583 CB TRP A 36 48.803 64.960 -39.008 1.00 0.00 C ATOM 584 CG TRP A 36 50.206 65.479 -38.994 1.00 0.00 C ATOM 585 CD1 TRP A 36 51.316 64.718 -39.127 1.00 0.00 C ATOM 586 CD2 TRP A 36 50.665 66.852 -38.846 1.00 0.00 C ATOM 587 NE1 TRP A 36 52.429 65.537 -39.068 1.00 0.00 N ATOM 588 CE2 TRP A 36 52.080 66.862 -38.895 1.00 0.00 C ATOM 589 CE3 TRP A 36 49.999 68.080 -38.673 1.00 0.00 C ATOM 590 CZ2 TRP A 36 52.808 68.047 -38.777 1.00 0.00 C ATOM 591 CZ3 TRP A 36 50.730 69.274 -38.555 1.00 0.00 C ATOM 592 CH2 TRP A 36 52.131 69.257 -38.606 1.00 0.00 C ATOM 0 H TRP A 36 50.105 65.091 -36.733 1.00 0.00 H new ATOM 0 HA TRP A 36 47.516 63.905 -37.649 1.00 0.00 H new ATOM 0 HB2 TRP A 36 48.615 64.416 -39.933 1.00 0.00 H new ATOM 0 HB3 TRP A 36 48.097 65.790 -38.977 1.00 0.00 H new ATOM 0 HD1 TRP A 36 51.331 63.646 -39.258 1.00 0.00 H new ATOM 0 HE1 TRP A 36 53.390 65.203 -39.143 1.00 0.00 H new ATOM 0 HE3 TRP A 36 48.920 68.104 -38.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 53.887 68.029 -38.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 50.209 70.211 -38.424 1.00 0.00 H new ATOM 0 HH2 TRP A 36 52.686 70.179 -38.513 1.00 0.00 H new ATOM 603 N TRP A 37 48.544 61.761 -38.670 1.00 0.00 N ATOM 604 CA TRP A 37 49.158 60.427 -38.934 1.00 0.00 C ATOM 605 C TRP A 37 49.150 60.152 -40.440 1.00 0.00 C ATOM 606 O TRP A 37 49.084 61.057 -41.242 1.00 0.00 O ATOM 607 CB TRP A 37 48.366 59.342 -38.193 1.00 0.00 C ATOM 608 CG TRP A 37 48.507 59.544 -36.718 1.00 0.00 C ATOM 609 CD1 TRP A 37 49.514 60.220 -36.119 1.00 0.00 C ATOM 610 CD2 TRP A 37 47.637 59.075 -35.648 1.00 0.00 C ATOM 611 NE1 TRP A 37 49.315 60.201 -34.752 1.00 0.00 N ATOM 612 CE2 TRP A 37 48.172 59.506 -34.411 1.00 0.00 C ATOM 613 CE3 TRP A 37 46.445 58.326 -35.629 1.00 0.00 C ATOM 614 CZ2 TRP A 37 47.549 59.205 -33.199 1.00 0.00 C ATOM 615 CZ3 TRP A 37 45.816 58.021 -34.410 1.00 0.00 C ATOM 616 CH2 TRP A 37 46.367 58.459 -33.198 1.00 0.00 C ATOM 0 H TRP A 37 47.581 61.871 -38.989 1.00 0.00 H new ATOM 0 HA TRP A 37 50.188 60.419 -38.577 1.00 0.00 H new ATOM 0 HB2 TRP A 37 47.315 59.385 -38.478 1.00 0.00 H new ATOM 0 HB3 TRP A 37 48.732 58.354 -38.473 1.00 0.00 H new ATOM 0 HD1 TRP A 37 50.339 60.697 -36.627 1.00 0.00 H new ATOM 0 HE1 TRP A 37 49.937 60.646 -34.077 1.00 0.00 H new ATOM 0 HE3 TRP A 37 46.011 57.984 -36.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 47.977 59.546 -32.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 44.902 57.445 -34.407 1.00 0.00 H new ATOM 0 HH2 TRP A 37 45.879 58.220 -32.265 1.00 0.00 H new ATOM 627 N ARG A 38 49.215 58.910 -40.826 1.00 0.00 N ATOM 628 CA ARG A 38 49.206 58.568 -42.275 1.00 0.00 C ATOM 629 C ARG A 38 47.983 57.703 -42.541 1.00 0.00 C ATOM 630 O ARG A 38 48.057 56.490 -42.569 1.00 0.00 O ATOM 631 CB ARG A 38 50.477 57.792 -42.631 1.00 0.00 C ATOM 632 CG ARG A 38 50.434 57.391 -44.107 1.00 0.00 C ATOM 633 CD ARG A 38 51.243 56.109 -44.312 1.00 0.00 C ATOM 634 NE ARG A 38 51.875 56.130 -45.662 1.00 0.00 N ATOM 635 CZ ARG A 38 52.715 55.191 -46.005 1.00 0.00 C ATOM 636 NH1 ARG A 38 53.967 55.485 -46.230 1.00 0.00 N ATOM 637 NH2 ARG A 38 52.303 53.959 -46.124 1.00 0.00 N ATOM 0 H ARG A 38 49.274 58.111 -40.195 1.00 0.00 H new ATOM 0 HA ARG A 38 49.171 59.473 -42.881 1.00 0.00 H new ATOM 0 HB2 ARG A 38 51.357 58.405 -42.435 1.00 0.00 H new ATOM 0 HB3 ARG A 38 50.561 56.904 -42.004 1.00 0.00 H new ATOM 0 HG2 ARG A 38 49.402 57.237 -44.423 1.00 0.00 H new ATOM 0 HG3 ARG A 38 50.840 58.192 -44.724 1.00 0.00 H new ATOM 0 HD2 ARG A 38 52.009 56.023 -43.541 1.00 0.00 H new ATOM 0 HD3 ARG A 38 50.595 55.238 -44.216 1.00 0.00 H new ATOM 0 HE ARG A 38 51.651 56.878 -46.318 1.00 0.00 H new ATOM 0 HH11 ARG A 38 54.289 56.448 -46.138 1.00 0.00 H new ATOM 0 HH12 ARG A 38 54.623 54.751 -46.498 1.00 0.00 H new ATOM 0 HH21 ARG A 38 51.325 53.729 -45.949 1.00 0.00 H new ATOM 0 HH22 ARG A 38 52.959 53.225 -46.392 1.00 0.00 H new ATOM 651 N ALA A 39 46.851 58.317 -42.699 1.00 0.00 N ATOM 652 CA ALA A 39 45.609 57.538 -42.920 1.00 0.00 C ATOM 653 C ALA A 39 45.063 57.791 -44.323 1.00 0.00 C ATOM 654 O ALA A 39 45.483 58.694 -45.016 1.00 0.00 O ATOM 655 CB ALA A 39 44.572 57.997 -41.893 1.00 0.00 C ATOM 0 H ALA A 39 46.731 59.330 -42.685 1.00 0.00 H new ATOM 0 HA ALA A 39 45.821 56.474 -42.814 1.00 0.00 H new ATOM 0 HB1 ALA A 39 43.647 57.438 -42.035 1.00 0.00 H new ATOM 0 HB2 ALA A 39 44.953 57.820 -40.887 1.00 0.00 H new ATOM 0 HB3 ALA A 39 44.376 59.061 -42.024 1.00 0.00 H new ATOM 661 N ARG A 40 44.106 57.004 -44.732 1.00 0.00 N ATOM 662 CA ARG A 40 43.491 57.192 -46.073 1.00 0.00 C ATOM 663 C ARG A 40 42.028 57.573 -45.864 1.00 0.00 C ATOM 664 O ARG A 40 41.218 56.763 -45.458 1.00 0.00 O ATOM 665 CB ARG A 40 43.579 55.891 -46.872 1.00 0.00 C ATOM 666 CG ARG A 40 42.669 55.983 -48.098 1.00 0.00 C ATOM 667 CD ARG A 40 43.125 54.972 -49.151 1.00 0.00 C ATOM 668 NE ARG A 40 43.541 53.709 -48.480 1.00 0.00 N ATOM 669 CZ ARG A 40 44.722 53.205 -48.713 1.00 0.00 C ATOM 670 NH1 ARG A 40 45.233 53.267 -49.912 1.00 0.00 N ATOM 671 NH2 ARG A 40 45.393 52.641 -47.745 1.00 0.00 N ATOM 0 H ARG A 40 43.721 56.232 -44.188 1.00 0.00 H new ATOM 0 HA ARG A 40 44.014 57.972 -46.626 1.00 0.00 H new ATOM 0 HB2 ARG A 40 44.608 55.711 -47.182 1.00 0.00 H new ATOM 0 HB3 ARG A 40 43.282 55.048 -46.248 1.00 0.00 H new ATOM 0 HG2 ARG A 40 41.636 55.785 -47.812 1.00 0.00 H new ATOM 0 HG3 ARG A 40 42.698 56.991 -48.511 1.00 0.00 H new ATOM 0 HD2 ARG A 40 42.316 54.773 -49.854 1.00 0.00 H new ATOM 0 HD3 ARG A 40 43.955 55.381 -49.727 1.00 0.00 H new ATOM 0 HE ARG A 40 42.903 53.238 -47.838 1.00 0.00 H new ATOM 0 HH11 ARG A 40 44.709 53.709 -50.667 1.00 0.00 H new ATOM 0 HH12 ARG A 40 46.156 52.873 -50.094 1.00 0.00 H new ATOM 0 HH21 ARG A 40 44.994 52.595 -46.807 1.00 0.00 H new ATOM 0 HH22 ARG A 40 46.316 52.247 -47.927 1.00 0.00 H new ATOM 685 N ASP A 41 41.682 58.805 -46.110 1.00 0.00 N ATOM 686 CA ASP A 41 40.272 59.234 -45.890 1.00 0.00 C ATOM 687 C ASP A 41 39.313 58.304 -46.628 1.00 0.00 C ATOM 688 O ASP A 41 39.719 57.407 -47.342 1.00 0.00 O ATOM 689 CB ASP A 41 40.084 60.664 -46.389 1.00 0.00 C ATOM 690 CG ASP A 41 40.360 60.729 -47.893 1.00 0.00 C ATOM 691 OD1 ASP A 41 39.931 59.828 -48.595 1.00 0.00 O ATOM 692 OD2 ASP A 41 40.998 61.679 -48.318 1.00 0.00 O ATOM 0 H ASP A 41 42.311 59.531 -46.452 1.00 0.00 H new ATOM 0 HA ASP A 41 40.055 59.190 -44.823 1.00 0.00 H new ATOM 0 HB2 ASP A 41 39.068 61.001 -46.182 1.00 0.00 H new ATOM 0 HB3 ASP A 41 40.757 61.336 -45.857 1.00 0.00 H new ATOM 697 N LYS A 42 38.038 58.513 -46.455 1.00 0.00 N ATOM 698 CA LYS A 42 37.035 57.645 -47.136 1.00 0.00 C ATOM 699 C LYS A 42 37.009 57.974 -48.628 1.00 0.00 C ATOM 700 O LYS A 42 36.393 57.282 -49.415 1.00 0.00 O ATOM 701 CB LYS A 42 35.650 57.893 -46.535 1.00 0.00 C ATOM 702 CG LYS A 42 34.590 57.208 -47.401 1.00 0.00 C ATOM 703 CD LYS A 42 33.343 56.930 -46.560 1.00 0.00 C ATOM 704 CE LYS A 42 32.146 56.692 -47.483 1.00 0.00 C ATOM 705 NZ LYS A 42 31.763 55.252 -47.439 1.00 0.00 N ATOM 0 H LYS A 42 37.645 59.250 -45.869 1.00 0.00 H new ATOM 0 HA LYS A 42 37.307 56.599 -46.998 1.00 0.00 H new ATOM 0 HB2 LYS A 42 35.609 57.506 -45.517 1.00 0.00 H new ATOM 0 HB3 LYS A 42 35.453 58.963 -46.478 1.00 0.00 H new ATOM 0 HG2 LYS A 42 34.335 57.842 -48.250 1.00 0.00 H new ATOM 0 HG3 LYS A 42 34.983 56.276 -47.806 1.00 0.00 H new ATOM 0 HD2 LYS A 42 33.506 56.058 -45.926 1.00 0.00 H new ATOM 0 HD3 LYS A 42 33.143 57.772 -45.898 1.00 0.00 H new ATOM 0 HE2 LYS A 42 31.305 57.313 -47.173 1.00 0.00 H new ATOM 0 HE3 LYS A 42 32.397 56.982 -48.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 30.949 55.090 -48.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 32.565 54.670 -47.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 31.507 54.990 -46.466 1.00 0.00 H new ATOM 719 N ASN A 43 37.677 59.021 -49.028 1.00 0.00 N ATOM 720 CA ASN A 43 37.691 59.384 -50.472 1.00 0.00 C ATOM 721 C ASN A 43 38.725 58.523 -51.199 1.00 0.00 C ATOM 722 O ASN A 43 39.002 58.721 -52.367 1.00 0.00 O ATOM 723 CB ASN A 43 38.056 60.863 -50.625 1.00 0.00 C ATOM 724 CG ASN A 43 36.826 61.645 -51.091 1.00 0.00 C ATOM 725 OD1 ASN A 43 35.987 62.012 -50.292 1.00 0.00 O ATOM 726 ND2 ASN A 43 36.682 61.916 -52.359 1.00 0.00 N ATOM 0 H ASN A 43 38.212 59.639 -48.418 1.00 0.00 H new ATOM 0 HA ASN A 43 36.705 59.210 -50.902 1.00 0.00 H new ATOM 0 HB2 ASN A 43 38.415 61.260 -49.676 1.00 0.00 H new ATOM 0 HB3 ASN A 43 38.867 60.976 -51.345 1.00 0.00 H new ATOM 0 HD21 ASN A 43 35.865 62.436 -52.680 1.00 0.00 H new ATOM 0 HD22 ASN A 43 37.386 61.608 -53.030 1.00 0.00 H new ATOM 733 N GLY A 44 39.302 57.569 -50.520 1.00 0.00 N ATOM 734 CA GLY A 44 40.316 56.700 -51.174 1.00 0.00 C ATOM 735 C GLY A 44 41.572 57.519 -51.462 1.00 0.00 C ATOM 736 O GLY A 44 42.157 57.422 -52.523 1.00 0.00 O ATOM 0 H GLY A 44 39.114 57.355 -49.541 1.00 0.00 H new ATOM 0 HA2 GLY A 44 40.559 55.856 -50.529 1.00 0.00 H new ATOM 0 HA3 GLY A 44 39.916 56.289 -52.101 1.00 0.00 H new ATOM 740 N GLN A 45 41.996 58.323 -50.526 1.00 0.00 N ATOM 741 CA GLN A 45 43.211 59.140 -50.747 1.00 0.00 C ATOM 742 C GLN A 45 44.119 58.991 -49.534 1.00 0.00 C ATOM 743 O GLN A 45 43.757 59.359 -48.434 1.00 0.00 O ATOM 744 CB GLN A 45 42.815 60.608 -50.915 1.00 0.00 C ATOM 745 CG GLN A 45 43.292 61.115 -52.277 1.00 0.00 C ATOM 746 CD GLN A 45 43.365 62.643 -52.257 1.00 0.00 C ATOM 747 OE1 GLN A 45 44.311 63.210 -51.749 1.00 0.00 O ATOM 748 NE2 GLN A 45 42.399 63.337 -52.792 1.00 0.00 N ATOM 0 H GLN A 45 41.549 58.446 -49.617 1.00 0.00 H new ATOM 0 HA GLN A 45 43.730 58.807 -51.646 1.00 0.00 H new ATOM 0 HB2 GLN A 45 41.733 60.715 -50.834 1.00 0.00 H new ATOM 0 HB3 GLN A 45 43.255 61.207 -50.118 1.00 0.00 H new ATOM 0 HG2 GLN A 45 44.271 60.697 -52.510 1.00 0.00 H new ATOM 0 HG3 GLN A 45 42.610 60.783 -53.060 1.00 0.00 H new ATOM 0 HE21 GLN A 45 41.604 62.861 -53.219 1.00 0.00 H new ATOM 0 HE22 GLN A 45 42.438 64.356 -52.784 1.00 0.00 H new ATOM 757 N GLU A 46 45.290 58.450 -49.721 1.00 0.00 N ATOM 758 CA GLU A 46 46.220 58.278 -48.574 1.00 0.00 C ATOM 759 C GLU A 46 46.907 59.614 -48.304 1.00 0.00 C ATOM 760 O GLU A 46 47.390 60.265 -49.208 1.00 0.00 O ATOM 761 CB GLU A 46 47.261 57.215 -48.921 1.00 0.00 C ATOM 762 CG GLU A 46 46.570 56.042 -49.618 1.00 0.00 C ATOM 763 CD GLU A 46 47.590 54.935 -49.891 1.00 0.00 C ATOM 764 OE1 GLU A 46 48.551 54.845 -49.145 1.00 0.00 O ATOM 765 OE2 GLU A 46 47.394 54.196 -50.842 1.00 0.00 O ATOM 0 H GLU A 46 45.642 58.120 -50.619 1.00 0.00 H new ATOM 0 HA GLU A 46 45.674 57.959 -47.686 1.00 0.00 H new ATOM 0 HB2 GLU A 46 48.028 57.638 -49.570 1.00 0.00 H new ATOM 0 HB3 GLU A 46 47.763 56.871 -48.016 1.00 0.00 H new ATOM 0 HG2 GLU A 46 45.762 55.660 -48.994 1.00 0.00 H new ATOM 0 HG3 GLU A 46 46.121 56.375 -50.553 1.00 0.00 H new ATOM 772 N GLY A 47 46.942 60.042 -47.073 1.00 0.00 N ATOM 773 CA GLY A 47 47.583 61.349 -46.775 1.00 0.00 C ATOM 774 C GLY A 47 47.757 61.525 -45.269 1.00 0.00 C ATOM 775 O GLY A 47 47.680 60.585 -44.502 1.00 0.00 O ATOM 0 H GLY A 47 46.558 59.547 -46.268 1.00 0.00 H new ATOM 0 HA2 GLY A 47 48.553 61.406 -47.269 1.00 0.00 H new ATOM 0 HA3 GLY A 47 46.974 62.160 -47.174 1.00 0.00 H new ATOM 779 N TYR A 48 47.995 62.735 -44.846 1.00 0.00 N ATOM 780 CA TYR A 48 48.183 62.999 -43.393 1.00 0.00 C ATOM 781 C TYR A 48 46.863 63.472 -42.775 1.00 0.00 C ATOM 782 O TYR A 48 46.183 64.325 -43.306 1.00 0.00 O ATOM 783 CB TYR A 48 49.253 64.076 -43.206 1.00 0.00 C ATOM 784 CG TYR A 48 50.557 63.425 -42.815 1.00 0.00 C ATOM 785 CD1 TYR A 48 50.893 62.166 -43.330 1.00 0.00 C ATOM 786 CD2 TYR A 48 51.430 64.076 -41.935 1.00 0.00 C ATOM 787 CE1 TYR A 48 52.101 61.561 -42.966 1.00 0.00 C ATOM 788 CE2 TYR A 48 52.639 63.470 -41.572 1.00 0.00 C ATOM 789 CZ TYR A 48 52.974 62.213 -42.087 1.00 0.00 C ATOM 790 OH TYR A 48 54.166 61.616 -41.729 1.00 0.00 O ATOM 0 H TYR A 48 48.068 63.556 -45.447 1.00 0.00 H new ATOM 0 HA TYR A 48 48.500 62.081 -42.898 1.00 0.00 H new ATOM 0 HB2 TYR A 48 49.379 64.643 -44.128 1.00 0.00 H new ATOM 0 HB3 TYR A 48 48.942 64.783 -42.437 1.00 0.00 H new ATOM 0 HD1 TYR A 48 50.220 61.663 -44.008 1.00 0.00 H new ATOM 0 HD2 TYR A 48 51.171 65.046 -41.536 1.00 0.00 H new ATOM 0 HE1 TYR A 48 52.360 60.591 -43.363 1.00 0.00 H new ATOM 0 HE2 TYR A 48 53.313 63.973 -40.894 1.00 0.00 H new ATOM 0 HH TYR A 48 54.654 62.202 -41.114 1.00 0.00 H new ATOM 800 N ILE A 49 46.497 62.918 -41.654 1.00 0.00 N ATOM 801 CA ILE A 49 45.223 63.325 -40.998 1.00 0.00 C ATOM 802 C ILE A 49 45.521 63.774 -39.558 1.00 0.00 C ATOM 803 O ILE A 49 46.073 63.015 -38.788 1.00 0.00 O ATOM 804 CB ILE A 49 44.281 62.130 -40.992 1.00 0.00 C ATOM 805 CG1 ILE A 49 43.851 61.814 -42.425 1.00 0.00 C ATOM 806 CG2 ILE A 49 43.048 62.428 -40.137 1.00 0.00 C ATOM 807 CD1 ILE A 49 45.050 61.262 -43.197 1.00 0.00 C ATOM 0 H ILE A 49 47.027 62.199 -41.162 1.00 0.00 H new ATOM 0 HA ILE A 49 44.760 64.151 -41.537 1.00 0.00 H new ATOM 0 HB ILE A 49 44.801 61.271 -40.568 1.00 0.00 H new ATOM 0 HG12 ILE A 49 43.039 61.087 -42.422 1.00 0.00 H new ATOM 0 HG13 ILE A 49 43.473 62.713 -42.911 1.00 0.00 H new ATOM 0 HG21 ILE A 49 42.384 61.564 -40.143 1.00 0.00 H new ATOM 0 HG22 ILE A 49 43.358 62.641 -39.114 1.00 0.00 H new ATOM 0 HG23 ILE A 49 42.523 63.292 -40.544 1.00 0.00 H new ATOM 0 HD11 ILE A 49 44.751 61.034 -44.220 1.00 0.00 H new ATOM 0 HD12 ILE A 49 45.848 62.004 -43.209 1.00 0.00 H new ATOM 0 HD13 ILE A 49 45.407 60.353 -42.713 1.00 0.00 H new ATOM 819 N PRO A 50 45.168 65.001 -39.243 1.00 0.00 N ATOM 820 CA PRO A 50 45.413 65.589 -37.908 1.00 0.00 C ATOM 821 C PRO A 50 44.436 65.053 -36.858 1.00 0.00 C ATOM 822 O PRO A 50 43.267 64.871 -37.117 1.00 0.00 O ATOM 823 CB PRO A 50 45.203 67.088 -38.132 1.00 0.00 C ATOM 824 CG PRO A 50 44.321 67.223 -39.394 1.00 0.00 C ATOM 825 CD PRO A 50 44.483 65.911 -40.184 1.00 0.00 C ATOM 0 HA PRO A 50 46.404 65.345 -37.526 1.00 0.00 H new ATOM 0 HB2 PRO A 50 44.719 67.545 -37.269 1.00 0.00 H new ATOM 0 HB3 PRO A 50 46.157 67.597 -38.269 1.00 0.00 H new ATOM 0 HG2 PRO A 50 43.278 67.386 -39.123 1.00 0.00 H new ATOM 0 HG3 PRO A 50 44.631 68.078 -39.994 1.00 0.00 H new ATOM 0 HD2 PRO A 50 43.517 65.511 -40.493 1.00 0.00 H new ATOM 0 HD3 PRO A 50 45.070 66.062 -41.090 1.00 0.00 H new ATOM 832 N SER A 51 44.920 64.806 -35.669 1.00 0.00 N ATOM 833 CA SER A 51 44.043 64.290 -34.584 1.00 0.00 C ATOM 834 C SER A 51 43.538 65.457 -33.728 1.00 0.00 C ATOM 835 O SER A 51 42.622 65.311 -32.943 1.00 0.00 O ATOM 836 CB SER A 51 44.853 63.343 -33.704 1.00 0.00 C ATOM 837 OG SER A 51 45.128 62.147 -34.424 1.00 0.00 O ATOM 0 H SER A 51 45.895 64.942 -35.404 1.00 0.00 H new ATOM 0 HA SER A 51 43.193 63.766 -35.020 1.00 0.00 H new ATOM 0 HB2 SER A 51 45.785 63.820 -33.400 1.00 0.00 H new ATOM 0 HB3 SER A 51 44.300 63.113 -32.793 1.00 0.00 H new ATOM 0 HG SER A 51 45.568 61.502 -33.831 1.00 0.00 H new ATOM 843 N ASN A 52 44.140 66.609 -33.861 1.00 0.00 N ATOM 844 CA ASN A 52 43.708 67.780 -33.043 1.00 0.00 C ATOM 845 C ASN A 52 42.327 68.265 -33.492 1.00 0.00 C ATOM 846 O ASN A 52 41.700 69.070 -32.832 1.00 0.00 O ATOM 847 CB ASN A 52 44.721 68.915 -33.207 1.00 0.00 C ATOM 848 CG ASN A 52 45.119 69.036 -34.680 1.00 0.00 C ATOM 849 OD1 ASN A 52 46.037 68.378 -35.128 1.00 0.00 O ATOM 850 ND2 ASN A 52 44.462 69.854 -35.455 1.00 0.00 N ATOM 0 H ASN A 52 44.913 66.790 -34.501 1.00 0.00 H new ATOM 0 HA ASN A 52 43.653 67.478 -31.997 1.00 0.00 H new ATOM 0 HB2 ASN A 52 44.291 69.854 -32.857 1.00 0.00 H new ATOM 0 HB3 ASN A 52 45.603 68.721 -32.596 1.00 0.00 H new ATOM 0 HD21 ASN A 52 44.719 69.942 -36.438 1.00 0.00 H new ATOM 0 HD22 ASN A 52 43.692 70.406 -35.078 1.00 0.00 H new ATOM 857 N TYR A 53 41.845 67.787 -34.605 1.00 0.00 N ATOM 858 CA TYR A 53 40.497 68.232 -35.081 1.00 0.00 C ATOM 859 C TYR A 53 39.588 67.012 -35.217 1.00 0.00 C ATOM 860 O TYR A 53 38.558 66.914 -34.583 1.00 0.00 O ATOM 861 CB TYR A 53 40.637 68.921 -36.440 1.00 0.00 C ATOM 862 CG TYR A 53 41.484 70.163 -36.289 1.00 0.00 C ATOM 863 CD1 TYR A 53 41.312 70.996 -35.177 1.00 0.00 C ATOM 864 CD2 TYR A 53 42.441 70.480 -37.260 1.00 0.00 C ATOM 865 CE1 TYR A 53 42.098 72.145 -35.035 1.00 0.00 C ATOM 866 CE2 TYR A 53 43.227 71.630 -37.119 1.00 0.00 C ATOM 867 CZ TYR A 53 43.055 72.462 -36.007 1.00 0.00 C ATOM 868 OH TYR A 53 43.831 73.595 -35.868 1.00 0.00 O ATOM 0 H TYR A 53 42.319 67.112 -35.205 1.00 0.00 H new ATOM 0 HA TYR A 53 40.066 68.933 -34.366 1.00 0.00 H new ATOM 0 HB2 TYR A 53 41.094 68.241 -37.159 1.00 0.00 H new ATOM 0 HB3 TYR A 53 39.654 69.184 -36.830 1.00 0.00 H new ATOM 0 HD1 TYR A 53 40.573 70.752 -34.429 1.00 0.00 H new ATOM 0 HD2 TYR A 53 42.573 69.837 -38.118 1.00 0.00 H new ATOM 0 HE1 TYR A 53 41.967 72.787 -34.176 1.00 0.00 H new ATOM 0 HE2 TYR A 53 43.966 71.875 -37.868 1.00 0.00 H new ATOM 0 HH TYR A 53 44.445 73.666 -36.629 1.00 0.00 H new ATOM 878 N VAL A 54 39.987 66.083 -36.033 1.00 0.00 N ATOM 879 CA VAL A 54 39.206 64.827 -36.241 1.00 0.00 C ATOM 880 C VAL A 54 38.955 64.150 -34.902 1.00 0.00 C ATOM 881 O VAL A 54 38.854 64.780 -33.869 1.00 0.00 O ATOM 882 CB VAL A 54 40.067 63.913 -37.097 1.00 0.00 C ATOM 883 CG1 VAL A 54 40.520 64.679 -38.333 1.00 0.00 C ATOM 884 CG2 VAL A 54 41.280 63.509 -36.271 1.00 0.00 C ATOM 0 H VAL A 54 40.845 66.139 -36.582 1.00 0.00 H new ATOM 0 HA VAL A 54 38.247 65.040 -36.714 1.00 0.00 H new ATOM 0 HB VAL A 54 39.511 63.029 -37.407 1.00 0.00 H new ATOM 0 HG11 VAL A 54 41.139 64.033 -38.955 1.00 0.00 H new ATOM 0 HG12 VAL A 54 39.648 65.002 -38.901 1.00 0.00 H new ATOM 0 HG13 VAL A 54 41.098 65.552 -38.029 1.00 0.00 H new ATOM 0 HG21 VAL A 54 41.919 62.851 -36.860 1.00 0.00 H new ATOM 0 HG22 VAL A 54 41.840 64.400 -35.988 1.00 0.00 H new ATOM 0 HG23 VAL A 54 40.951 62.986 -35.373 1.00 0.00 H new ATOM 894 N THR A 55 38.858 62.858 -34.911 1.00 0.00 N ATOM 895 CA THR A 55 38.617 62.145 -33.641 1.00 0.00 C ATOM 896 C THR A 55 38.825 60.639 -33.837 1.00 0.00 C ATOM 897 O THR A 55 39.802 60.235 -34.429 1.00 0.00 O ATOM 898 CB THR A 55 37.204 62.475 -33.176 1.00 0.00 C ATOM 899 OG1 THR A 55 37.028 62.045 -31.833 1.00 0.00 O ATOM 900 CG2 THR A 55 36.174 61.798 -34.077 1.00 0.00 C ATOM 0 H THR A 55 38.935 62.268 -35.740 1.00 0.00 H new ATOM 0 HA THR A 55 39.323 62.463 -32.874 1.00 0.00 H new ATOM 0 HB THR A 55 37.060 63.554 -33.232 1.00 0.00 H new ATOM 0 HG1 THR A 55 36.119 62.260 -31.537 1.00 0.00 H new ATOM 0 HG21 THR A 55 35.170 62.044 -33.731 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.301 62.148 -35.101 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.315 60.718 -34.043 1.00 0.00 H new ATOM 908 N GLU A 56 37.944 59.810 -33.335 1.00 0.00 N ATOM 909 CA GLU A 56 38.131 58.332 -33.479 1.00 0.00 C ATOM 910 C GLU A 56 39.622 57.999 -33.319 1.00 0.00 C ATOM 911 O GLU A 56 40.212 58.291 -32.299 1.00 0.00 O ATOM 912 CB GLU A 56 37.607 57.865 -34.839 1.00 0.00 C ATOM 913 CG GLU A 56 36.101 58.121 -34.919 1.00 0.00 C ATOM 914 CD GLU A 56 35.351 56.985 -34.222 1.00 0.00 C ATOM 915 OE1 GLU A 56 35.277 55.911 -34.796 1.00 0.00 O ATOM 916 OE2 GLU A 56 34.864 57.208 -33.125 1.00 0.00 O ATOM 0 H GLU A 56 37.103 60.092 -32.831 1.00 0.00 H new ATOM 0 HA GLU A 56 37.566 57.810 -32.707 1.00 0.00 H new ATOM 0 HB2 GLU A 56 38.120 58.396 -35.641 1.00 0.00 H new ATOM 0 HB3 GLU A 56 37.814 56.804 -34.976 1.00 0.00 H new ATOM 0 HG2 GLU A 56 35.858 59.074 -34.448 1.00 0.00 H new ATOM 0 HG3 GLU A 56 35.788 58.191 -35.961 1.00 0.00 H new ATOM 923 N ALA A 57 40.242 57.404 -34.304 1.00 0.00 N ATOM 924 CA ALA A 57 41.690 57.083 -34.182 1.00 0.00 C ATOM 925 C ALA A 57 42.499 58.388 -34.126 1.00 0.00 C ATOM 926 O ALA A 57 43.304 58.668 -34.990 1.00 0.00 O ATOM 927 CB ALA A 57 42.127 56.269 -35.399 1.00 0.00 C ATOM 0 H ALA A 57 39.808 57.128 -35.185 1.00 0.00 H new ATOM 0 HA ALA A 57 41.863 56.508 -33.272 1.00 0.00 H new ATOM 0 HB1 ALA A 57 43.187 56.031 -35.316 1.00 0.00 H new ATOM 0 HB2 ALA A 57 41.550 55.345 -35.445 1.00 0.00 H new ATOM 0 HB3 ALA A 57 41.956 56.850 -36.306 1.00 0.00 H new ATOM 933 N GLU A 58 42.287 59.187 -33.114 1.00 0.00 N ATOM 934 CA GLU A 58 43.036 60.473 -32.997 1.00 0.00 C ATOM 935 C GLU A 58 44.312 60.248 -32.183 1.00 0.00 C ATOM 936 O GLU A 58 45.267 60.972 -32.404 1.00 0.00 O ATOM 937 CB GLU A 58 42.155 61.503 -32.286 1.00 0.00 C ATOM 938 CG GLU A 58 41.747 60.966 -30.912 1.00 0.00 C ATOM 939 CD GLU A 58 41.998 62.037 -29.850 1.00 0.00 C ATOM 940 OE1 GLU A 58 41.983 63.206 -30.200 1.00 0.00 O ATOM 941 OE2 GLU A 58 42.200 61.670 -28.704 1.00 0.00 O ATOM 942 OXT GLU A 58 44.312 59.354 -31.352 1.00 0.00 O ATOM 0 H GLU A 58 41.625 59.004 -32.360 1.00 0.00 H new ATOM 0 HA GLU A 58 43.299 60.836 -33.990 1.00 0.00 H new ATOM 0 HB2 GLU A 58 42.695 62.444 -32.175 1.00 0.00 H new ATOM 0 HB3 GLU A 58 41.268 61.713 -32.884 1.00 0.00 H new ATOM 0 HG2 GLU A 58 40.694 60.685 -30.918 1.00 0.00 H new ATOM 0 HG3 GLU A 58 42.316 60.066 -30.678 1.00 0.00 H new