USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 397 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET CE :methyl 178:sc= 0 (180deg=-0.00697) USER MOD Set 1.2: A 18 TYR OH : rot 130:sc= 0 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.179 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 90:sc= -0.106 USER MOD Single : A 19 TYR OH : rot -34:sc= 0.766 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.063 USER MOD Single : A 33 ASN : amide:sc= 0.396 K(o=0.4,f=-1.7!) USER MOD Single : A 45 HIS : no HD1:sc= -0.557 X(o=-0.56,f=-0.41) USER MOD Single : A 47 THR OG1 : rot 60:sc= -0.79 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.627 -0.585 2.147 1.00 45.03 N ATOM 2 CA MET A 1 1.040 -1.398 1.009 1.00 60.42 C ATOM 3 C MET A 1 2.053 -2.456 1.436 1.00 73.45 C ATOM 4 O MET A 1 3.216 -2.148 1.694 1.00 64.41 O ATOM 5 CB MET A 1 1.639 -0.515 -0.087 1.00 3.43 C ATOM 6 CG MET A 1 1.928 -1.261 -1.379 1.00 45.32 C ATOM 7 SD MET A 1 0.454 -1.497 -2.389 1.00 72.44 S ATOM 8 CE MET A 1 1.056 -2.675 -3.597 1.00 43.32 C ATOM 0 H1 MET A 1 -0.062 0.128 1.833 1.00 45.03 H new ATOM 0 H2 MET A 1 0.191 -1.194 2.868 1.00 45.03 H new ATOM 0 H3 MET A 1 1.458 -0.108 2.553 1.00 45.03 H new ATOM 0 HA MET A 1 0.157 -1.902 0.616 1.00 60.42 H new ATOM 0 HB2 MET A 1 0.953 0.305 -0.297 1.00 3.43 H new ATOM 0 HB3 MET A 1 2.564 -0.071 0.281 1.00 3.43 H new ATOM 0 HG2 MET A 1 2.673 -0.710 -1.953 1.00 45.32 H new ATOM 0 HG3 MET A 1 2.362 -2.233 -1.144 1.00 45.32 H new ATOM 0 HE1 MET A 1 0.246 -2.948 -4.274 1.00 43.32 H new ATOM 0 HE2 MET A 1 1.870 -2.228 -4.167 1.00 43.32 H new ATOM 0 HE3 MET A 1 1.418 -3.567 -3.086 1.00 43.32 H new ATOM 18 N LYS A 2 1.603 -3.704 1.508 1.00 73.51 N ATOM 19 CA LYS A 2 2.469 -4.809 1.902 1.00 1.03 C ATOM 20 C LYS A 2 2.251 -6.020 1.001 1.00 31.22 C ATOM 21 O LYS A 2 1.161 -6.218 0.462 1.00 24.42 O ATOM 22 CB LYS A 2 2.210 -5.192 3.361 1.00 14.11 C ATOM 23 CG LYS A 2 2.092 -3.997 4.292 1.00 70.32 C ATOM 24 CD LYS A 2 2.571 -4.334 5.694 1.00 0.40 C ATOM 25 CE LYS A 2 1.542 -5.159 6.451 1.00 24.24 C ATOM 26 NZ LYS A 2 0.542 -4.300 7.143 1.00 1.14 N ATOM 0 H LYS A 2 0.642 -3.976 1.298 1.00 73.51 H new ATOM 0 HA LYS A 2 3.503 -4.482 1.797 1.00 1.03 H new ATOM 0 HB2 LYS A 2 1.292 -5.777 3.417 1.00 14.11 H new ATOM 0 HB3 LYS A 2 3.019 -5.834 3.708 1.00 14.11 H new ATOM 0 HG2 LYS A 2 2.677 -3.167 3.896 1.00 70.32 H new ATOM 0 HG3 LYS A 2 1.054 -3.666 4.331 1.00 70.32 H new ATOM 0 HD2 LYS A 2 3.510 -4.885 5.636 1.00 0.40 H new ATOM 0 HD3 LYS A 2 2.775 -3.414 6.241 1.00 0.40 H new ATOM 0 HE2 LYS A 2 1.030 -5.826 5.757 1.00 24.24 H new ATOM 0 HE3 LYS A 2 2.048 -5.788 7.183 1.00 24.24 H new ATOM 0 HZ1 LYS A 2 -0.142 -4.900 7.647 1.00 1.14 H new ATOM 0 HZ2 LYS A 2 1.028 -3.681 7.823 1.00 1.14 H new ATOM 0 HZ3 LYS A 2 0.040 -3.718 6.442 1.00 1.14 H new ATOM 40 N THR A 3 3.293 -6.830 0.843 1.00 45.35 N ATOM 41 CA THR A 3 3.216 -8.022 0.007 1.00 14.44 C ATOM 42 C THR A 3 4.110 -9.131 0.548 1.00 30.31 C ATOM 43 O THR A 3 5.059 -8.872 1.288 1.00 21.13 O ATOM 44 CB THR A 3 3.619 -7.716 -1.447 1.00 40.44 C ATOM 45 OG1 THR A 3 3.769 -8.936 -2.181 1.00 40.02 O ATOM 46 CG2 THR A 3 4.919 -6.927 -1.494 1.00 10.21 C ATOM 0 H THR A 3 4.201 -6.682 1.283 1.00 45.35 H new ATOM 0 HA THR A 3 2.178 -8.354 0.025 1.00 14.44 H new ATOM 0 HB THR A 3 2.831 -7.114 -1.900 1.00 40.44 H new ATOM 0 HG1 THR A 3 4.024 -8.733 -3.105 1.00 40.02 H new ATOM 0 HG21 THR A 3 5.183 -6.723 -2.532 1.00 10.21 H new ATOM 0 HG22 THR A 3 4.793 -5.985 -0.960 1.00 10.21 H new ATOM 0 HG23 THR A 3 5.714 -7.507 -1.025 1.00 10.21 H new ATOM 54 N PHE A 4 3.802 -10.369 0.173 1.00 11.55 N ATOM 55 CA PHE A 4 4.578 -11.519 0.622 1.00 45.45 C ATOM 56 C PHE A 4 5.900 -11.611 -0.136 1.00 72.21 C ATOM 57 O PHE A 4 5.951 -11.391 -1.346 1.00 13.13 O ATOM 58 CB PHE A 4 3.777 -12.808 0.431 1.00 53.24 C ATOM 59 CG PHE A 4 2.348 -12.698 0.882 1.00 43.44 C ATOM 60 CD1 PHE A 4 2.043 -12.263 2.161 1.00 4.13 C ATOM 61 CD2 PHE A 4 1.310 -13.029 0.026 1.00 63.43 C ATOM 62 CE1 PHE A 4 0.730 -12.160 2.579 1.00 11.03 C ATOM 63 CE2 PHE A 4 -0.005 -12.928 0.438 1.00 60.10 C ATOM 64 CZ PHE A 4 -0.295 -12.494 1.717 1.00 75.13 C ATOM 0 H PHE A 4 3.021 -10.601 -0.440 1.00 11.55 H new ATOM 0 HA PHE A 4 4.795 -11.389 1.682 1.00 45.45 H new ATOM 0 HB2 PHE A 4 3.797 -13.086 -0.623 1.00 53.24 H new ATOM 0 HB3 PHE A 4 4.263 -13.613 0.982 1.00 53.24 H new ATOM 0 HD1 PHE A 4 2.841 -12.001 2.840 1.00 4.13 H new ATOM 0 HD2 PHE A 4 1.531 -13.370 -0.975 1.00 63.43 H new ATOM 0 HE1 PHE A 4 0.506 -11.819 3.579 1.00 11.03 H new ATOM 0 HE2 PHE A 4 -0.805 -13.188 -0.239 1.00 60.10 H new ATOM 0 HZ PHE A 4 -1.322 -12.416 2.042 1.00 75.13 H new ATOM 74 N ALA A 5 6.967 -11.938 0.585 1.00 31.33 N ATOM 75 CA ALA A 5 8.288 -12.062 -0.018 1.00 2.43 C ATOM 76 C ALA A 5 8.568 -13.501 -0.437 1.00 2.13 C ATOM 77 O ALA A 5 8.868 -14.355 0.399 1.00 13.43 O ATOM 78 CB ALA A 5 9.357 -11.574 0.949 1.00 41.32 C ATOM 0 H ALA A 5 6.942 -12.122 1.588 1.00 31.33 H new ATOM 0 HA ALA A 5 8.311 -11.440 -0.913 1.00 2.43 H new ATOM 0 HB1 ALA A 5 10.339 -11.672 0.486 1.00 41.32 H new ATOM 0 HB2 ALA A 5 9.175 -10.528 1.195 1.00 41.32 H new ATOM 0 HB3 ALA A 5 9.324 -12.172 1.860 1.00 41.32 H new ATOM 84 N LEU A 6 8.468 -13.764 -1.735 1.00 25.11 N ATOM 85 CA LEU A 6 8.711 -15.101 -2.265 1.00 74.42 C ATOM 86 C LEU A 6 10.102 -15.199 -2.883 1.00 52.51 C ATOM 87 O LEU A 6 10.885 -14.251 -2.824 1.00 14.23 O ATOM 88 CB LEU A 6 7.651 -15.457 -3.309 1.00 35.31 C ATOM 89 CG LEU A 6 6.236 -14.947 -3.030 1.00 63.02 C ATOM 90 CD1 LEU A 6 5.341 -15.170 -4.239 1.00 15.13 C ATOM 91 CD2 LEU A 6 5.656 -15.630 -1.800 1.00 53.14 C ATOM 0 H LEU A 6 8.220 -13.069 -2.440 1.00 25.11 H new ATOM 0 HA LEU A 6 8.651 -15.809 -1.438 1.00 74.42 H new ATOM 0 HB2 LEU A 6 7.974 -15.065 -4.273 1.00 35.31 H new ATOM 0 HB3 LEU A 6 7.613 -16.542 -3.403 1.00 35.31 H new ATOM 0 HG LEU A 6 6.288 -13.876 -2.835 1.00 63.02 H new ATOM 0 HD11 LEU A 6 4.338 -14.801 -4.022 1.00 15.13 H new ATOM 0 HD12 LEU A 6 5.748 -14.634 -5.096 1.00 15.13 H new ATOM 0 HD13 LEU A 6 5.295 -16.235 -4.466 1.00 15.13 H new ATOM 0 HD21 LEU A 6 4.649 -15.255 -1.616 1.00 53.14 H new ATOM 0 HD22 LEU A 6 5.618 -16.707 -1.966 1.00 53.14 H new ATOM 0 HD23 LEU A 6 6.285 -15.418 -0.936 1.00 53.14 H new ATOM 103 N GLN A 7 10.401 -16.349 -3.477 1.00 72.32 N ATOM 104 CA GLN A 7 11.697 -16.569 -4.108 1.00 2.25 C ATOM 105 C GLN A 7 12.025 -15.444 -5.084 1.00 60.11 C ATOM 106 O GLN A 7 11.298 -15.215 -6.049 1.00 54.14 O ATOM 107 CB GLN A 7 11.712 -17.914 -4.836 1.00 45.42 C ATOM 108 CG GLN A 7 12.759 -18.881 -4.306 1.00 51.34 C ATOM 109 CD GLN A 7 12.658 -20.254 -4.940 1.00 34.44 C ATOM 110 OE1 GLN A 7 11.907 -20.457 -5.894 1.00 50.24 O ATOM 111 NE2 GLN A 7 13.415 -21.208 -4.410 1.00 41.10 N ATOM 0 H GLN A 7 9.764 -17.143 -3.535 1.00 72.32 H new ATOM 0 HA GLN A 7 12.457 -16.579 -3.326 1.00 2.25 H new ATOM 0 HB2 GLN A 7 10.728 -18.375 -4.751 1.00 45.42 H new ATOM 0 HB3 GLN A 7 11.893 -17.741 -5.897 1.00 45.42 H new ATOM 0 HG2 GLN A 7 13.752 -18.472 -4.490 1.00 51.34 H new ATOM 0 HG3 GLN A 7 12.648 -18.975 -3.226 1.00 51.34 H new ATOM 0 HE21 GLN A 7 14.023 -20.996 -3.619 1.00 41.10 H new ATOM 0 HE22 GLN A 7 13.388 -22.153 -4.794 1.00 41.10 H new ATOM 120 N GLY A 8 13.126 -14.745 -4.826 1.00 11.52 N ATOM 121 CA GLY A 8 13.530 -13.652 -5.691 1.00 4.33 C ATOM 122 C GLY A 8 12.609 -12.453 -5.580 1.00 70.22 C ATOM 123 O GLY A 8 12.544 -11.625 -6.489 1.00 64.42 O ATOM 0 H GLY A 8 13.745 -14.916 -4.034 1.00 11.52 H new ATOM 0 HA2 GLY A 8 14.546 -13.350 -5.439 1.00 4.33 H new ATOM 0 HA3 GLY A 8 13.548 -13.998 -6.724 1.00 4.33 H new ATOM 127 N ASP A 9 11.893 -12.360 -4.465 1.00 60.41 N ATOM 128 CA ASP A 9 10.970 -11.255 -4.239 1.00 53.51 C ATOM 129 C ASP A 9 11.273 -10.555 -2.918 1.00 13.12 C ATOM 130 O ASP A 9 10.395 -9.937 -2.314 1.00 43.40 O ATOM 131 CB ASP A 9 9.526 -11.759 -4.244 1.00 53.41 C ATOM 132 CG ASP A 9 8.964 -11.891 -5.646 1.00 33.41 C ATOM 133 OD1 ASP A 9 9.249 -12.913 -6.306 1.00 1.14 O ATOM 134 OD2 ASP A 9 8.238 -10.974 -6.083 1.00 33.41 O ATOM 0 H ASP A 9 11.934 -13.037 -3.703 1.00 60.41 H new ATOM 0 HA ASP A 9 11.098 -10.536 -5.048 1.00 53.51 H new ATOM 0 HB2 ASP A 9 9.480 -12.727 -3.745 1.00 53.41 H new ATOM 0 HB3 ASP A 9 8.903 -11.074 -3.669 1.00 53.41 H new ATOM 139 N THR A 10 12.521 -10.657 -2.472 1.00 62.25 N ATOM 140 CA THR A 10 12.940 -10.037 -1.222 1.00 11.20 C ATOM 141 C THR A 10 13.004 -8.520 -1.355 1.00 41.44 C ATOM 142 O THR A 10 12.754 -7.969 -2.429 1.00 23.42 O ATOM 143 CB THR A 10 14.316 -10.560 -0.769 1.00 0.45 C ATOM 144 OG1 THR A 10 15.355 -9.906 -1.505 1.00 5.40 O ATOM 145 CG2 THR A 10 14.416 -12.064 -0.968 1.00 72.41 C ATOM 0 H THR A 10 13.260 -11.164 -2.959 1.00 62.25 H new ATOM 0 HA THR A 10 12.194 -10.302 -0.472 1.00 11.20 H new ATOM 0 HB THR A 10 14.431 -10.342 0.293 1.00 0.45 H new ATOM 0 HG1 THR A 10 16.227 -10.243 -1.210 1.00 5.40 H new ATOM 0 HG21 THR A 10 15.397 -12.410 -0.641 1.00 72.41 H new ATOM 0 HG22 THR A 10 13.642 -12.561 -0.383 1.00 72.41 H new ATOM 0 HG23 THR A 10 14.281 -12.301 -2.023 1.00 72.41 H new ATOM 153 N LEU A 11 13.341 -7.848 -0.260 1.00 11.10 N ATOM 154 CA LEU A 11 13.439 -6.392 -0.255 1.00 20.41 C ATOM 155 C LEU A 11 14.296 -5.900 -1.417 1.00 21.33 C ATOM 156 O LEU A 11 13.923 -4.963 -2.123 1.00 5.04 O ATOM 157 CB LEU A 11 14.028 -5.906 1.070 1.00 2.13 C ATOM 158 CG LEU A 11 13.391 -6.477 2.338 1.00 43.22 C ATOM 159 CD1 LEU A 11 14.023 -5.861 3.577 1.00 62.15 C ATOM 160 CD2 LEU A 11 11.888 -6.242 2.331 1.00 32.43 C ATOM 0 H LEU A 11 13.551 -8.288 0.636 1.00 11.10 H new ATOM 0 HA LEU A 11 12.435 -5.984 -0.371 1.00 20.41 H new ATOM 0 HB2 LEU A 11 15.091 -6.146 1.082 1.00 2.13 H new ATOM 0 HB3 LEU A 11 13.946 -4.820 1.104 1.00 2.13 H new ATOM 0 HG LEU A 11 13.571 -7.552 2.360 1.00 43.22 H new ATOM 0 HD11 LEU A 11 13.557 -6.279 4.469 1.00 62.15 H new ATOM 0 HD12 LEU A 11 15.091 -6.080 3.588 1.00 62.15 H new ATOM 0 HD13 LEU A 11 13.875 -4.781 3.563 1.00 62.15 H new ATOM 0 HD21 LEU A 11 11.451 -6.655 3.240 1.00 32.43 H new ATOM 0 HD22 LEU A 11 11.687 -5.172 2.285 1.00 32.43 H new ATOM 0 HD23 LEU A 11 11.447 -6.731 1.462 1.00 32.43 H new ATOM 172 N ASP A 12 15.444 -6.540 -1.610 1.00 42.24 N ATOM 173 CA ASP A 12 16.353 -6.170 -2.689 1.00 2.40 C ATOM 174 C ASP A 12 15.634 -6.182 -4.034 1.00 70.52 C ATOM 175 O ASP A 12 15.960 -5.406 -4.931 1.00 44.31 O ATOM 176 CB ASP A 12 17.549 -7.123 -2.727 1.00 11.43 C ATOM 177 CG ASP A 12 18.539 -6.853 -1.611 1.00 23.41 C ATOM 178 OD1 ASP A 12 18.221 -6.038 -0.720 1.00 24.41 O ATOM 179 OD2 ASP A 12 19.633 -7.457 -1.629 1.00 54.01 O ATOM 0 H ASP A 12 15.767 -7.317 -1.034 1.00 42.24 H new ATOM 0 HA ASP A 12 16.711 -5.158 -2.498 1.00 2.40 H new ATOM 0 HB2 ASP A 12 17.194 -8.151 -2.653 1.00 11.43 H new ATOM 0 HB3 ASP A 12 18.055 -7.029 -3.688 1.00 11.43 H new ATOM 184 N ALA A 13 14.654 -7.071 -4.167 1.00 43.32 N ATOM 185 CA ALA A 13 13.889 -7.184 -5.402 1.00 75.12 C ATOM 186 C ALA A 13 12.705 -6.223 -5.404 1.00 74.13 C ATOM 187 O ALA A 13 12.588 -5.369 -6.284 1.00 21.03 O ATOM 188 CB ALA A 13 13.410 -8.615 -5.597 1.00 34.13 C ATOM 0 H ALA A 13 14.372 -7.723 -3.435 1.00 43.32 H new ATOM 0 HA ALA A 13 14.543 -6.915 -6.231 1.00 75.12 H new ATOM 0 HB1 ALA A 13 12.840 -8.685 -6.523 1.00 34.13 H new ATOM 0 HB2 ALA A 13 14.270 -9.283 -5.649 1.00 34.13 H new ATOM 0 HB3 ALA A 13 12.776 -8.904 -4.758 1.00 34.13 H new ATOM 194 N ILE A 14 11.829 -6.369 -4.416 1.00 12.53 N ATOM 195 CA ILE A 14 10.654 -5.513 -4.304 1.00 42.43 C ATOM 196 C ILE A 14 11.035 -4.040 -4.409 1.00 43.21 C ATOM 197 O ILE A 14 10.362 -3.260 -5.084 1.00 74.30 O ATOM 198 CB ILE A 14 9.912 -5.746 -2.975 1.00 53.13 C ATOM 199 CG1 ILE A 14 9.385 -7.181 -2.905 1.00 53.43 C ATOM 200 CG2 ILE A 14 8.772 -4.749 -2.823 1.00 63.32 C ATOM 201 CD1 ILE A 14 8.900 -7.580 -1.529 1.00 55.33 C ATOM 0 H ILE A 14 11.910 -7.072 -3.681 1.00 12.53 H new ATOM 0 HA ILE A 14 9.993 -5.775 -5.130 1.00 42.43 H new ATOM 0 HB ILE A 14 10.612 -5.596 -2.153 1.00 53.13 H new ATOM 0 HG12 ILE A 14 8.567 -7.294 -3.617 1.00 53.43 H new ATOM 0 HG13 ILE A 14 10.175 -7.865 -3.216 1.00 53.43 H new ATOM 0 HG21 ILE A 14 8.257 -4.926 -1.879 1.00 63.32 H new ATOM 0 HG22 ILE A 14 9.172 -3.735 -2.833 1.00 63.32 H new ATOM 0 HG23 ILE A 14 8.070 -4.871 -3.648 1.00 63.32 H new ATOM 0 HD11 ILE A 14 8.541 -8.609 -1.554 1.00 55.33 H new ATOM 0 HD12 ILE A 14 9.721 -7.499 -0.816 1.00 55.33 H new ATOM 0 HD13 ILE A 14 8.088 -6.920 -1.224 1.00 55.33 H new ATOM 213 N CYS A 15 12.120 -3.666 -3.739 1.00 35.00 N ATOM 214 CA CYS A 15 12.592 -2.286 -3.757 1.00 72.13 C ATOM 215 C CYS A 15 12.768 -1.791 -5.189 1.00 2.30 C ATOM 216 O CYS A 15 12.558 -0.613 -5.480 1.00 64.11 O ATOM 217 CB CYS A 15 13.914 -2.167 -2.997 1.00 75.41 C ATOM 218 SG CYS A 15 13.724 -2.024 -1.205 1.00 31.33 S ATOM 0 H CYS A 15 12.689 -4.299 -3.177 1.00 35.00 H new ATOM 0 HA CYS A 15 11.843 -1.665 -3.266 1.00 72.13 H new ATOM 0 HB2 CYS A 15 14.528 -3.040 -3.218 1.00 75.41 H new ATOM 0 HB3 CYS A 15 14.455 -1.295 -3.365 1.00 75.41 H new ATOM 0 HG CYS A 15 13.730 -3.210 -0.672 1.00 31.33 H new ATOM 224 N VAL A 16 13.157 -2.698 -6.080 1.00 0.42 N ATOM 225 CA VAL A 16 13.363 -2.353 -7.482 1.00 33.25 C ATOM 226 C VAL A 16 12.056 -2.431 -8.264 1.00 5.22 C ATOM 227 O VAL A 16 11.923 -1.829 -9.330 1.00 32.43 O ATOM 228 CB VAL A 16 14.399 -3.282 -8.141 1.00 45.43 C ATOM 229 CG1 VAL A 16 14.602 -2.904 -9.601 1.00 5.13 C ATOM 230 CG2 VAL A 16 15.717 -3.234 -7.382 1.00 35.05 C ATOM 0 H VAL A 16 13.336 -3.677 -5.856 1.00 0.42 H new ATOM 0 HA VAL A 16 13.737 -1.329 -7.506 1.00 33.25 H new ATOM 0 HB VAL A 16 14.021 -4.304 -8.103 1.00 45.43 H new ATOM 0 HG11 VAL A 16 15.337 -3.571 -10.051 1.00 5.13 H new ATOM 0 HG12 VAL A 16 13.656 -2.994 -10.135 1.00 5.13 H new ATOM 0 HG13 VAL A 16 14.958 -1.876 -9.665 1.00 5.13 H new ATOM 0 HG21 VAL A 16 16.437 -3.897 -7.862 1.00 35.05 H new ATOM 0 HG22 VAL A 16 16.103 -2.214 -7.387 1.00 35.05 H new ATOM 0 HG23 VAL A 16 15.556 -3.557 -6.353 1.00 35.05 H new ATOM 240 N ARG A 17 11.095 -3.175 -7.727 1.00 61.01 N ATOM 241 CA ARG A 17 9.799 -3.332 -8.375 1.00 73.14 C ATOM 242 C ARG A 17 8.858 -2.193 -7.993 1.00 42.13 C ATOM 243 O ARG A 17 7.870 -1.933 -8.681 1.00 2.04 O ATOM 244 CB ARG A 17 9.173 -4.675 -7.993 1.00 13.40 C ATOM 245 CG ARG A 17 10.038 -5.873 -8.348 1.00 13.03 C ATOM 246 CD ARG A 17 9.221 -7.155 -8.393 1.00 64.22 C ATOM 247 NE ARG A 17 9.002 -7.616 -9.761 1.00 61.25 N ATOM 248 CZ ARG A 17 8.063 -8.492 -10.100 1.00 70.51 C ATOM 249 NH1 ARG A 17 7.260 -8.999 -9.175 1.00 20.52 N ATOM 250 NH2 ARG A 17 7.925 -8.863 -11.367 1.00 2.12 N ATOM 0 H ARG A 17 11.189 -3.678 -6.845 1.00 61.01 H new ATOM 0 HA ARG A 17 9.955 -3.305 -9.453 1.00 73.14 H new ATOM 0 HB2 ARG A 17 8.978 -4.683 -6.921 1.00 13.40 H new ATOM 0 HB3 ARG A 17 8.209 -4.772 -8.493 1.00 13.40 H new ATOM 0 HG2 ARG A 17 10.511 -5.708 -9.316 1.00 13.03 H new ATOM 0 HG3 ARG A 17 10.838 -5.976 -7.615 1.00 13.03 H new ATOM 0 HD2 ARG A 17 9.734 -7.932 -7.826 1.00 64.22 H new ATOM 0 HD3 ARG A 17 8.259 -6.989 -7.908 1.00 64.22 H new ATOM 0 HE ARG A 17 9.603 -7.245 -10.497 1.00 61.25 H new ATOM 0 HH11 ARG A 17 7.362 -8.716 -8.200 1.00 20.52 H new ATOM 0 HH12 ARG A 17 6.540 -9.672 -9.438 1.00 20.52 H new ATOM 0 HH21 ARG A 17 8.541 -8.475 -12.082 1.00 2.12 H new ATOM 0 HH22 ARG A 17 7.203 -9.536 -11.626 1.00 2.12 H new ATOM 264 N TYR A 18 9.172 -1.518 -6.893 1.00 52.43 N ATOM 265 CA TYR A 18 8.354 -0.408 -6.418 1.00 35.41 C ATOM 266 C TYR A 18 9.059 0.925 -6.645 1.00 11.23 C ATOM 267 O TYR A 18 8.576 1.777 -7.392 1.00 65.51 O ATOM 268 CB TYR A 18 8.034 -0.583 -4.932 1.00 51.03 C ATOM 269 CG TYR A 18 6.926 -1.576 -4.664 1.00 22.41 C ATOM 270 CD1 TYR A 18 7.036 -2.898 -5.078 1.00 53.01 C ATOM 271 CD2 TYR A 18 5.770 -1.193 -3.995 1.00 21.32 C ATOM 272 CE1 TYR A 18 6.026 -3.809 -4.836 1.00 14.44 C ATOM 273 CE2 TYR A 18 4.756 -2.098 -3.747 1.00 15.54 C ATOM 274 CZ TYR A 18 4.888 -3.404 -4.169 1.00 52.34 C ATOM 275 OH TYR A 18 3.880 -4.308 -3.925 1.00 30.24 O ATOM 0 H TYR A 18 9.987 -1.720 -6.314 1.00 52.43 H new ATOM 0 HA TYR A 18 7.423 -0.406 -6.986 1.00 35.41 H new ATOM 0 HB2 TYR A 18 8.935 -0.907 -4.411 1.00 51.03 H new ATOM 0 HB3 TYR A 18 7.754 0.383 -4.513 1.00 51.03 H new ATOM 0 HD1 TYR A 18 7.927 -3.219 -5.598 1.00 53.01 H new ATOM 0 HD2 TYR A 18 5.662 -0.171 -3.663 1.00 21.32 H new ATOM 0 HE1 TYR A 18 6.127 -4.832 -5.167 1.00 14.44 H new ATOM 0 HE2 TYR A 18 3.864 -1.784 -3.225 1.00 15.54 H new ATOM 0 HH TYR A 18 3.627 -4.269 -2.979 1.00 30.24 H new ATOM 285 N TYR A 19 10.204 1.099 -5.994 1.00 40.15 N ATOM 286 CA TYR A 19 10.977 2.329 -6.123 1.00 15.15 C ATOM 287 C TYR A 19 11.902 2.268 -7.334 1.00 75.22 C ATOM 288 O TYR A 19 12.120 3.270 -8.014 1.00 61.40 O ATOM 289 CB TYR A 19 11.795 2.576 -4.854 1.00 51.52 C ATOM 290 CG TYR A 19 11.022 2.334 -3.578 1.00 32.53 C ATOM 291 CD1 TYR A 19 10.254 3.340 -3.005 1.00 43.40 C ATOM 292 CD2 TYR A 19 11.059 1.098 -2.944 1.00 24.23 C ATOM 293 CE1 TYR A 19 9.547 3.123 -1.838 1.00 53.45 C ATOM 294 CE2 TYR A 19 10.354 0.871 -1.778 1.00 10.42 C ATOM 295 CZ TYR A 19 9.599 1.887 -1.229 1.00 44.20 C ATOM 296 OH TYR A 19 8.896 1.666 -0.067 1.00 4.01 O ATOM 0 H TYR A 19 10.617 0.404 -5.372 1.00 40.15 H new ATOM 0 HA TYR A 19 10.279 3.154 -6.265 1.00 15.15 H new ATOM 0 HB2 TYR A 19 12.672 1.929 -4.866 1.00 51.52 H new ATOM 0 HB3 TYR A 19 12.157 3.604 -4.860 1.00 51.52 H new ATOM 0 HD1 TYR A 19 10.209 4.309 -3.480 1.00 43.40 H new ATOM 0 HD2 TYR A 19 11.650 0.301 -3.371 1.00 24.23 H new ATOM 0 HE1 TYR A 19 8.957 3.917 -1.405 1.00 53.45 H new ATOM 0 HE2 TYR A 19 10.394 -0.096 -1.299 1.00 10.42 H new ATOM 0 HH TYR A 19 8.880 2.487 0.467 1.00 4.01 H new ATOM 306 N GLY A 20 12.442 1.082 -7.599 1.00 3.15 N ATOM 307 CA GLY A 20 13.337 0.910 -8.728 1.00 41.10 C ATOM 308 C GLY A 20 14.795 1.060 -8.341 1.00 11.11 C ATOM 309 O GLY A 20 15.658 1.233 -9.202 1.00 20.24 O ATOM 0 H GLY A 20 12.275 0.238 -7.052 1.00 3.15 H new ATOM 0 HA2 GLY A 20 13.180 -0.076 -9.165 1.00 41.10 H new ATOM 0 HA3 GLY A 20 13.091 1.642 -9.497 1.00 41.10 H new ATOM 313 N ARG A 21 15.070 0.996 -7.042 1.00 63.23 N ATOM 314 CA ARG A 21 16.434 1.129 -6.543 1.00 34.30 C ATOM 315 C ARG A 21 16.528 0.668 -5.091 1.00 63.45 C ATOM 316 O ARG A 21 15.513 0.447 -4.431 1.00 33.33 O ATOM 317 CB ARG A 21 16.903 2.580 -6.660 1.00 20.02 C ATOM 318 CG ARG A 21 16.332 3.493 -5.587 1.00 53.25 C ATOM 319 CD ARG A 21 14.845 3.737 -5.797 1.00 64.31 C ATOM 320 NE ARG A 21 14.551 4.192 -7.153 1.00 43.21 N ATOM 321 CZ ARG A 21 14.867 5.400 -7.607 1.00 71.03 C ATOM 322 NH1 ARG A 21 15.484 6.268 -6.818 1.00 14.52 N ATOM 323 NH2 ARG A 21 14.566 5.741 -8.854 1.00 20.11 N ATOM 0 H ARG A 21 14.367 0.853 -6.317 1.00 63.23 H new ATOM 0 HA ARG A 21 17.080 0.496 -7.150 1.00 34.30 H new ATOM 0 HB2 ARG A 21 17.991 2.607 -6.606 1.00 20.02 H new ATOM 0 HB3 ARG A 21 16.623 2.966 -7.640 1.00 20.02 H new ATOM 0 HG2 ARG A 21 16.494 3.048 -4.605 1.00 53.25 H new ATOM 0 HG3 ARG A 21 16.863 4.445 -5.597 1.00 53.25 H new ATOM 0 HD2 ARG A 21 14.295 2.818 -5.596 1.00 64.31 H new ATOM 0 HD3 ARG A 21 14.495 4.481 -5.081 1.00 64.31 H new ATOM 0 HE ARG A 21 14.077 3.547 -7.786 1.00 43.21 H new ATOM 0 HH11 ARG A 21 15.718 6.009 -5.859 1.00 14.52 H new ATOM 0 HH12 ARG A 21 15.725 7.195 -7.169 1.00 14.52 H new ATOM 0 HH21 ARG A 21 14.092 5.075 -9.464 1.00 20.11 H new ATOM 0 HH22 ARG A 21 14.809 6.669 -9.202 1.00 20.11 H new ATOM 337 N THR A 22 17.755 0.523 -4.600 1.00 43.35 N ATOM 338 CA THR A 22 17.983 0.087 -3.229 1.00 3.13 C ATOM 339 C THR A 22 18.748 1.141 -2.436 1.00 53.33 C ATOM 340 O THR A 22 18.578 1.262 -1.224 1.00 4.34 O ATOM 341 CB THR A 22 18.765 -1.240 -3.184 1.00 12.53 C ATOM 342 OG1 THR A 22 19.793 -1.237 -4.181 1.00 14.33 O ATOM 343 CG2 THR A 22 17.836 -2.423 -3.409 1.00 52.11 C ATOM 0 H THR A 22 18.606 0.702 -5.133 1.00 43.35 H new ATOM 0 HA THR A 22 17.002 -0.062 -2.778 1.00 3.13 H new ATOM 0 HB THR A 22 19.218 -1.337 -2.197 1.00 12.53 H new ATOM 0 HG1 THR A 22 20.286 -2.083 -4.145 1.00 14.33 H new ATOM 0 HG21 THR A 22 18.410 -3.349 -3.373 1.00 52.11 H new ATOM 0 HG22 THR A 22 17.073 -2.439 -2.631 1.00 52.11 H new ATOM 0 HG23 THR A 22 17.358 -2.330 -4.384 1.00 52.11 H new ATOM 351 N GLU A 23 19.589 1.902 -3.130 1.00 54.11 N ATOM 352 CA GLU A 23 20.379 2.947 -2.489 1.00 60.51 C ATOM 353 C GLU A 23 19.476 3.982 -1.825 1.00 40.35 C ATOM 354 O GLU A 23 18.760 4.721 -2.500 1.00 73.42 O ATOM 355 CB GLU A 23 21.290 3.628 -3.512 1.00 54.44 C ATOM 356 CG GLU A 23 20.545 4.183 -4.715 1.00 61.14 C ATOM 357 CD GLU A 23 21.465 4.485 -5.882 1.00 61.44 C ATOM 358 OE1 GLU A 23 22.662 4.747 -5.643 1.00 21.13 O ATOM 359 OE2 GLU A 23 20.987 4.458 -7.036 1.00 61.00 O ATOM 0 H GLU A 23 19.741 1.815 -4.135 1.00 54.11 H new ATOM 0 HA GLU A 23 20.994 2.481 -1.719 1.00 60.51 H new ATOM 0 HB2 GLU A 23 21.829 4.439 -3.023 1.00 54.44 H new ATOM 0 HB3 GLU A 23 22.036 2.911 -3.856 1.00 54.44 H new ATOM 0 HG2 GLU A 23 19.787 3.466 -5.031 1.00 61.14 H new ATOM 0 HG3 GLU A 23 20.021 5.094 -4.425 1.00 61.14 H new ATOM 366 N GLY A 24 19.516 4.030 -0.497 1.00 60.22 N ATOM 367 CA GLY A 24 18.697 4.977 0.236 1.00 1.12 C ATOM 368 C GLY A 24 17.278 4.483 0.438 1.00 64.33 C ATOM 369 O GLY A 24 16.472 5.139 1.097 1.00 41.22 O ATOM 0 H GLY A 24 20.101 3.430 0.084 1.00 60.22 H new ATOM 0 HA2 GLY A 24 19.152 5.171 1.207 1.00 1.12 H new ATOM 0 HA3 GLY A 24 18.675 5.925 -0.301 1.00 1.12 H new ATOM 373 N VAL A 25 16.971 3.322 -0.133 1.00 0.11 N ATOM 374 CA VAL A 25 15.640 2.740 -0.013 1.00 55.33 C ATOM 375 C VAL A 25 15.637 1.570 0.964 1.00 71.03 C ATOM 376 O VAL A 25 14.815 1.512 1.878 1.00 12.43 O ATOM 377 CB VAL A 25 15.114 2.257 -1.378 1.00 34.22 C ATOM 378 CG1 VAL A 25 13.696 1.723 -1.245 1.00 74.21 C ATOM 379 CG2 VAL A 25 15.175 3.381 -2.401 1.00 2.02 C ATOM 0 H VAL A 25 17.626 2.767 -0.683 1.00 0.11 H new ATOM 0 HA VAL A 25 14.984 3.525 0.364 1.00 55.33 H new ATOM 0 HB VAL A 25 15.752 1.445 -1.727 1.00 34.22 H new ATOM 0 HG11 VAL A 25 13.341 1.386 -2.219 1.00 74.21 H new ATOM 0 HG12 VAL A 25 13.686 0.886 -0.546 1.00 74.21 H new ATOM 0 HG13 VAL A 25 13.043 2.513 -0.874 1.00 74.21 H new ATOM 0 HG21 VAL A 25 14.800 3.022 -3.359 1.00 2.02 H new ATOM 0 HG22 VAL A 25 14.562 4.216 -2.061 1.00 2.02 H new ATOM 0 HG23 VAL A 25 16.207 3.712 -2.517 1.00 2.02 H new ATOM 389 N VAL A 26 16.563 0.638 0.764 1.00 22.43 N ATOM 390 CA VAL A 26 16.669 -0.532 1.629 1.00 44.33 C ATOM 391 C VAL A 26 16.727 -0.126 3.097 1.00 31.22 C ATOM 392 O VAL A 26 16.185 -0.814 3.962 1.00 4.42 O ATOM 393 CB VAL A 26 17.917 -1.369 1.289 1.00 11.05 C ATOM 394 CG1 VAL A 26 17.808 -1.945 -0.114 1.00 43.32 C ATOM 395 CG2 VAL A 26 19.177 -0.529 1.434 1.00 21.32 C ATOM 0 H VAL A 26 17.250 0.670 0.011 1.00 22.43 H new ATOM 0 HA VAL A 26 15.778 -1.136 1.457 1.00 44.33 H new ATOM 0 HB VAL A 26 17.979 -2.200 1.992 1.00 11.05 H new ATOM 0 HG11 VAL A 26 18.699 -2.533 -0.336 1.00 43.32 H new ATOM 0 HG12 VAL A 26 16.927 -2.583 -0.178 1.00 43.32 H new ATOM 0 HG13 VAL A 26 17.721 -1.132 -0.835 1.00 43.32 H new ATOM 0 HG21 VAL A 26 20.049 -1.136 1.190 1.00 21.32 H new ATOM 0 HG22 VAL A 26 19.126 0.323 0.756 1.00 21.32 H new ATOM 0 HG23 VAL A 26 19.260 -0.171 2.460 1.00 21.32 H new ATOM 405 N GLU A 27 17.387 0.995 3.370 1.00 15.25 N ATOM 406 CA GLU A 27 17.515 1.492 4.735 1.00 33.14 C ATOM 407 C GLU A 27 16.142 1.736 5.357 1.00 44.45 C ATOM 408 O GLU A 27 15.903 1.398 6.516 1.00 2.03 O ATOM 409 CB GLU A 27 18.334 2.784 4.757 1.00 53.23 C ATOM 410 CG GLU A 27 19.327 2.856 5.904 1.00 1.43 C ATOM 411 CD GLU A 27 19.645 4.282 6.312 1.00 64.15 C ATOM 412 OE1 GLU A 27 18.705 5.100 6.391 1.00 74.41 O ATOM 413 OE2 GLU A 27 20.834 4.580 6.550 1.00 21.15 O ATOM 0 H GLU A 27 17.841 1.576 2.665 1.00 15.25 H new ATOM 0 HA GLU A 27 18.031 0.733 5.323 1.00 33.14 H new ATOM 0 HB2 GLU A 27 18.873 2.878 3.814 1.00 53.23 H new ATOM 0 HB3 GLU A 27 17.655 3.634 4.822 1.00 53.23 H new ATOM 0 HG2 GLU A 27 18.925 2.318 6.762 1.00 1.43 H new ATOM 0 HG3 GLU A 27 20.248 2.351 5.614 1.00 1.43 H new ATOM 420 N THR A 28 15.243 2.327 4.576 1.00 12.52 N ATOM 421 CA THR A 28 13.895 2.619 5.048 1.00 3.45 C ATOM 422 C THR A 28 13.156 1.341 5.427 1.00 4.01 C ATOM 423 O THR A 28 12.551 1.255 6.495 1.00 14.34 O ATOM 424 CB THR A 28 13.078 3.375 3.984 1.00 62.04 C ATOM 425 OG1 THR A 28 13.956 4.110 3.123 1.00 74.20 O ATOM 426 CG2 THR A 28 12.086 4.326 4.637 1.00 65.14 C ATOM 0 H THR A 28 15.424 2.613 3.614 1.00 12.52 H new ATOM 0 HA THR A 28 14.000 3.250 5.931 1.00 3.45 H new ATOM 0 HB THR A 28 12.522 2.643 3.397 1.00 62.04 H new ATOM 0 HG1 THR A 28 13.429 4.587 2.448 1.00 74.20 H new ATOM 0 HG21 THR A 28 11.521 4.848 3.865 1.00 65.14 H new ATOM 0 HG22 THR A 28 11.401 3.760 5.268 1.00 65.14 H new ATOM 0 HG23 THR A 28 12.625 5.052 5.246 1.00 65.14 H new ATOM 434 N VAL A 29 13.211 0.348 4.545 1.00 53.11 N ATOM 435 CA VAL A 29 12.548 -0.928 4.788 1.00 52.51 C ATOM 436 C VAL A 29 13.112 -1.613 6.027 1.00 22.01 C ATOM 437 O VAL A 29 12.422 -2.389 6.690 1.00 50.23 O ATOM 438 CB VAL A 29 12.692 -1.874 3.581 1.00 55.40 C ATOM 439 CG1 VAL A 29 11.835 -3.116 3.771 1.00 12.01 C ATOM 440 CG2 VAL A 29 12.322 -1.153 2.293 1.00 63.30 C ATOM 0 H VAL A 29 13.708 0.403 3.656 1.00 53.11 H new ATOM 0 HA VAL A 29 11.492 -0.711 4.946 1.00 52.51 H new ATOM 0 HB VAL A 29 13.733 -2.188 3.509 1.00 55.40 H new ATOM 0 HG11 VAL A 29 11.950 -3.773 2.908 1.00 12.01 H new ATOM 0 HG12 VAL A 29 12.151 -3.642 4.672 1.00 12.01 H new ATOM 0 HG13 VAL A 29 10.789 -2.825 3.869 1.00 12.01 H new ATOM 0 HG21 VAL A 29 12.429 -1.836 1.450 1.00 63.30 H new ATOM 0 HG22 VAL A 29 11.289 -0.809 2.352 1.00 63.30 H new ATOM 0 HG23 VAL A 29 12.982 -0.297 2.153 1.00 63.30 H new ATOM 450 N LEU A 30 14.371 -1.322 6.336 1.00 50.33 N ATOM 451 CA LEU A 30 15.030 -1.910 7.497 1.00 13.41 C ATOM 452 C LEU A 30 14.438 -1.364 8.793 1.00 70.22 C ATOM 453 O LEU A 30 14.138 -2.120 9.716 1.00 24.24 O ATOM 454 CB LEU A 30 16.533 -1.629 7.452 1.00 72.33 C ATOM 455 CG LEU A 30 17.414 -2.774 6.952 1.00 24.53 C ATOM 456 CD1 LEU A 30 17.227 -4.010 7.819 1.00 11.34 C ATOM 457 CD2 LEU A 30 17.104 -3.090 5.496 1.00 22.54 C ATOM 0 H LEU A 30 14.956 -0.682 5.799 1.00 50.33 H new ATOM 0 HA LEU A 30 14.867 -2.987 7.470 1.00 13.41 H new ATOM 0 HB2 LEU A 30 16.701 -0.762 6.813 1.00 72.33 H new ATOM 0 HB3 LEU A 30 16.862 -1.355 8.455 1.00 72.33 H new ATOM 0 HG LEU A 30 18.456 -2.461 7.021 1.00 24.53 H new ATOM 0 HD11 LEU A 30 17.862 -4.814 7.448 1.00 11.34 H new ATOM 0 HD12 LEU A 30 17.501 -3.777 8.848 1.00 11.34 H new ATOM 0 HD13 LEU A 30 16.184 -4.325 7.783 1.00 11.34 H new ATOM 0 HD21 LEU A 30 17.741 -3.907 5.158 1.00 22.54 H new ATOM 0 HD22 LEU A 30 16.058 -3.382 5.402 1.00 22.54 H new ATOM 0 HD23 LEU A 30 17.291 -2.207 4.884 1.00 22.54 H new ATOM 469 N ALA A 31 14.271 -0.047 8.852 1.00 35.25 N ATOM 470 CA ALA A 31 13.711 0.599 10.033 1.00 54.00 C ATOM 471 C ALA A 31 12.237 0.246 10.205 1.00 51.53 C ATOM 472 O ALA A 31 11.734 0.169 11.325 1.00 21.12 O ATOM 473 CB ALA A 31 13.887 2.108 9.943 1.00 63.52 C ATOM 0 H ALA A 31 14.515 0.593 8.096 1.00 35.25 H new ATOM 0 HA ALA A 31 14.250 0.233 10.907 1.00 54.00 H new ATOM 0 HB1 ALA A 31 13.464 2.577 10.831 1.00 63.52 H new ATOM 0 HB2 ALA A 31 14.948 2.347 9.876 1.00 63.52 H new ATOM 0 HB3 ALA A 31 13.375 2.482 9.057 1.00 63.52 H new ATOM 479 N ALA A 32 11.550 0.035 9.087 1.00 32.30 N ATOM 480 CA ALA A 32 10.134 -0.311 9.115 1.00 50.24 C ATOM 481 C ALA A 32 9.938 -1.804 9.356 1.00 12.45 C ATOM 482 O ALA A 32 8.896 -2.230 9.853 1.00 51.34 O ATOM 483 CB ALA A 32 9.463 0.108 7.815 1.00 61.13 C ATOM 0 H ALA A 32 11.951 0.098 8.151 1.00 32.30 H new ATOM 0 HA ALA A 32 9.670 0.228 9.941 1.00 50.24 H new ATOM 0 HB1 ALA A 32 8.406 -0.156 7.849 1.00 61.13 H new ATOM 0 HB2 ALA A 32 9.564 1.185 7.684 1.00 61.13 H new ATOM 0 HB3 ALA A 32 9.938 -0.405 6.979 1.00 61.13 H new ATOM 489 N ASN A 33 10.946 -2.593 9.002 1.00 62.42 N ATOM 490 CA ASN A 33 10.883 -4.040 9.179 1.00 4.44 C ATOM 491 C ASN A 33 12.138 -4.557 9.876 1.00 20.03 C ATOM 492 O ASN A 33 13.014 -5.165 9.261 1.00 61.00 O ATOM 493 CB ASN A 33 10.715 -4.734 7.826 1.00 10.43 C ATOM 494 CG ASN A 33 9.412 -4.364 7.145 1.00 53.51 C ATOM 495 OD1 ASN A 33 8.347 -4.868 7.501 1.00 31.13 O ATOM 496 ND2 ASN A 33 9.491 -3.478 6.158 1.00 32.13 N ATOM 0 H ASN A 33 11.816 -2.256 8.591 1.00 62.42 H new ATOM 0 HA ASN A 33 10.020 -4.267 9.805 1.00 4.44 H new ATOM 0 HB2 ASN A 33 11.549 -4.467 7.178 1.00 10.43 H new ATOM 0 HB3 ASN A 33 10.754 -5.814 7.967 1.00 10.43 H new ATOM 0 HD21 ASN A 33 8.647 -3.190 5.662 1.00 32.13 H new ATOM 0 HD22 ASN A 33 10.395 -3.086 5.896 1.00 32.13 H new ATOM 503 N PRO A 34 12.228 -4.312 11.192 1.00 50.41 N ATOM 504 CA PRO A 34 13.370 -4.745 12.002 1.00 64.02 C ATOM 505 C PRO A 34 13.412 -6.259 12.182 1.00 43.32 C ATOM 506 O PRO A 34 12.376 -6.905 12.328 1.00 72.11 O ATOM 507 CB PRO A 34 13.135 -4.053 13.347 1.00 52.14 C ATOM 508 CG PRO A 34 11.662 -3.834 13.407 1.00 24.12 C ATOM 509 CD PRO A 34 11.221 -3.592 11.990 1.00 20.42 C ATOM 0 HA PRO A 34 14.321 -4.488 11.536 1.00 64.02 H new ATOM 0 HB2 PRO A 34 13.477 -4.672 14.176 1.00 52.14 H new ATOM 0 HB3 PRO A 34 13.678 -3.110 13.408 1.00 52.14 H new ATOM 0 HG2 PRO A 34 11.156 -4.701 13.831 1.00 24.12 H new ATOM 0 HG3 PRO A 34 11.420 -2.982 14.042 1.00 24.12 H new ATOM 0 HD2 PRO A 34 10.217 -3.976 11.811 1.00 20.42 H new ATOM 0 HD3 PRO A 34 11.204 -2.529 11.751 1.00 20.42 H new ATOM 517 N GLY A 35 14.618 -6.818 12.171 1.00 64.43 N ATOM 518 CA GLY A 35 14.772 -8.252 12.334 1.00 23.12 C ATOM 519 C GLY A 35 14.986 -8.966 11.014 1.00 24.44 C ATOM 520 O GLY A 35 15.467 -10.100 10.984 1.00 22.13 O ATOM 0 H GLY A 35 15.491 -6.304 12.052 1.00 64.43 H new ATOM 0 HA2 GLY A 35 15.618 -8.451 12.992 1.00 23.12 H new ATOM 0 HA3 GLY A 35 13.886 -8.656 12.823 1.00 23.12 H new ATOM 524 N LEU A 36 14.628 -8.304 9.920 1.00 33.12 N ATOM 525 CA LEU A 36 14.782 -8.883 8.590 1.00 33.52 C ATOM 526 C LEU A 36 16.252 -8.938 8.187 1.00 53.12 C ATOM 527 O LEU A 36 16.638 -9.718 7.318 1.00 65.44 O ATOM 528 CB LEU A 36 13.989 -8.072 7.564 1.00 1.10 C ATOM 529 CG LEU A 36 13.157 -8.880 6.568 1.00 53.44 C ATOM 530 CD1 LEU A 36 14.058 -9.717 5.674 1.00 24.22 C ATOM 531 CD2 LEU A 36 12.158 -9.764 7.300 1.00 24.22 C ATOM 0 H LEU A 36 14.229 -7.365 9.927 1.00 33.12 H new ATOM 0 HA LEU A 36 14.394 -9.901 8.617 1.00 33.52 H new ATOM 0 HB2 LEU A 36 13.322 -7.397 8.101 1.00 1.10 H new ATOM 0 HB3 LEU A 36 14.687 -7.451 7.004 1.00 1.10 H new ATOM 0 HG LEU A 36 12.602 -8.184 5.939 1.00 53.44 H new ATOM 0 HD11 LEU A 36 13.448 -10.285 4.972 1.00 24.22 H new ATOM 0 HD12 LEU A 36 14.732 -9.062 5.122 1.00 24.22 H new ATOM 0 HD13 LEU A 36 14.641 -10.405 6.287 1.00 24.22 H new ATOM 0 HD21 LEU A 36 11.575 -10.332 6.575 1.00 24.22 H new ATOM 0 HD22 LEU A 36 12.693 -10.453 7.954 1.00 24.22 H new ATOM 0 HD23 LEU A 36 11.490 -9.142 7.896 1.00 24.22 H new ATOM 543 N ALA A 37 17.067 -8.105 8.826 1.00 55.22 N ATOM 544 CA ALA A 37 18.495 -8.061 8.537 1.00 75.14 C ATOM 545 C ALA A 37 19.201 -9.302 9.071 1.00 22.15 C ATOM 546 O ALA A 37 20.375 -9.531 8.783 1.00 3.11 O ATOM 547 CB ALA A 37 19.114 -6.803 9.127 1.00 42.04 C ATOM 0 H ALA A 37 16.762 -7.451 9.547 1.00 55.22 H new ATOM 0 HA ALA A 37 18.622 -8.041 7.455 1.00 75.14 H new ATOM 0 HB1 ALA A 37 20.181 -6.783 8.904 1.00 42.04 H new ATOM 0 HB2 ALA A 37 18.636 -5.925 8.693 1.00 42.04 H new ATOM 0 HB3 ALA A 37 18.969 -6.799 10.207 1.00 42.04 H new ATOM 553 N GLU A 38 18.478 -10.099 9.852 1.00 2.02 N ATOM 554 CA GLU A 38 19.038 -11.316 10.428 1.00 2.11 C ATOM 555 C GLU A 38 18.833 -12.505 9.493 1.00 11.45 C ATOM 556 O GLU A 38 19.654 -13.422 9.448 1.00 53.04 O ATOM 557 CB GLU A 38 18.397 -11.605 11.787 1.00 24.22 C ATOM 558 CG GLU A 38 18.960 -10.760 12.918 1.00 61.04 C ATOM 559 CD GLU A 38 18.076 -10.771 14.150 1.00 42.33 C ATOM 560 OE1 GLU A 38 17.196 -11.652 14.241 1.00 11.55 O ATOM 561 OE2 GLU A 38 18.266 -9.898 15.022 1.00 14.35 O ATOM 0 H GLU A 38 17.504 -9.924 10.100 1.00 2.02 H new ATOM 0 HA GLU A 38 20.109 -11.164 10.564 1.00 2.11 H new ATOM 0 HB2 GLU A 38 17.323 -11.433 11.716 1.00 24.22 H new ATOM 0 HB3 GLU A 38 18.536 -12.659 12.028 1.00 24.22 H new ATOM 0 HG2 GLU A 38 19.951 -11.128 13.183 1.00 61.04 H new ATOM 0 HG3 GLU A 38 19.083 -9.733 12.573 1.00 61.04 H new ATOM 568 N LEU A 39 17.732 -12.482 8.750 1.00 2.12 N ATOM 569 CA LEU A 39 17.417 -13.557 7.816 1.00 23.42 C ATOM 570 C LEU A 39 18.589 -13.824 6.877 1.00 43.50 C ATOM 571 O LEU A 39 19.047 -14.958 6.744 1.00 14.14 O ATOM 572 CB LEU A 39 16.169 -13.206 7.005 1.00 12.03 C ATOM 573 CG LEU A 39 15.044 -14.242 7.021 1.00 24.13 C ATOM 574 CD1 LEU A 39 14.642 -14.571 8.451 1.00 63.34 C ATOM 575 CD2 LEU A 39 13.845 -13.740 6.230 1.00 23.22 C ATOM 0 H LEU A 39 17.043 -11.731 8.776 1.00 2.12 H new ATOM 0 HA LEU A 39 17.225 -14.461 8.394 1.00 23.42 H new ATOM 0 HB2 LEU A 39 15.772 -12.262 7.378 1.00 12.03 H new ATOM 0 HB3 LEU A 39 16.468 -13.040 5.970 1.00 12.03 H new ATOM 0 HG LEU A 39 15.409 -15.154 6.549 1.00 24.13 H new ATOM 0 HD11 LEU A 39 13.840 -15.310 8.443 1.00 63.34 H new ATOM 0 HD12 LEU A 39 15.501 -14.974 8.987 1.00 63.34 H new ATOM 0 HD13 LEU A 39 14.296 -13.665 8.949 1.00 63.34 H new ATOM 0 HD21 LEU A 39 13.054 -14.490 6.252 1.00 23.22 H new ATOM 0 HD22 LEU A 39 13.479 -12.814 6.673 1.00 23.22 H new ATOM 0 HD23 LEU A 39 14.142 -13.556 5.197 1.00 23.22 H new ATOM 587 N GLY A 40 19.073 -12.768 6.228 1.00 33.31 N ATOM 588 CA GLY A 40 20.189 -12.909 5.311 1.00 12.32 C ATOM 589 C GLY A 40 19.756 -13.389 3.940 1.00 30.43 C ATOM 590 O GLY A 40 19.438 -12.585 3.065 1.00 70.00 O ATOM 0 H GLY A 40 18.712 -11.819 6.321 1.00 33.31 H new ATOM 0 HA2 GLY A 40 20.698 -11.950 5.213 1.00 12.32 H new ATOM 0 HA3 GLY A 40 20.911 -13.612 5.727 1.00 12.32 H new ATOM 594 N ALA A 41 19.745 -14.705 3.752 1.00 22.04 N ATOM 595 CA ALA A 41 19.348 -15.292 2.479 1.00 41.45 C ATOM 596 C ALA A 41 17.925 -14.888 2.108 1.00 1.21 C ATOM 597 O ALA A 41 17.315 -14.048 2.770 1.00 32.33 O ATOM 598 CB ALA A 41 19.471 -16.807 2.534 1.00 63.10 C ATOM 0 H ALA A 41 20.007 -15.385 4.466 1.00 22.04 H new ATOM 0 HA ALA A 41 20.018 -14.912 1.708 1.00 41.45 H new ATOM 0 HB1 ALA A 41 19.171 -17.231 1.576 1.00 63.10 H new ATOM 0 HB2 ALA A 41 20.505 -17.081 2.744 1.00 63.10 H new ATOM 0 HB3 ALA A 41 18.825 -17.196 3.321 1.00 63.10 H new ATOM 604 N VAL A 42 17.402 -15.490 1.045 1.00 35.31 N ATOM 605 CA VAL A 42 16.050 -15.194 0.587 1.00 54.53 C ATOM 606 C VAL A 42 15.038 -15.356 1.716 1.00 63.42 C ATOM 607 O VAL A 42 15.225 -16.174 2.618 1.00 74.11 O ATOM 608 CB VAL A 42 15.643 -16.104 -0.587 1.00 53.44 C ATOM 609 CG1 VAL A 42 15.480 -17.541 -0.117 1.00 72.14 C ATOM 610 CG2 VAL A 42 14.362 -15.597 -1.235 1.00 25.35 C ATOM 0 H VAL A 42 17.894 -16.186 0.485 1.00 35.31 H new ATOM 0 HA VAL A 42 16.051 -14.157 0.250 1.00 54.53 H new ATOM 0 HB VAL A 42 16.436 -16.080 -1.335 1.00 53.44 H new ATOM 0 HG11 VAL A 42 15.192 -18.169 -0.960 1.00 72.14 H new ATOM 0 HG12 VAL A 42 16.423 -17.898 0.296 1.00 72.14 H new ATOM 0 HG13 VAL A 42 14.707 -17.587 0.650 1.00 72.14 H new ATOM 0 HG21 VAL A 42 14.089 -16.252 -2.063 1.00 25.35 H new ATOM 0 HG22 VAL A 42 13.559 -15.590 -0.498 1.00 25.35 H new ATOM 0 HG23 VAL A 42 14.519 -14.585 -1.609 1.00 25.35 H new ATOM 620 N LEU A 43 13.967 -14.573 1.660 1.00 33.31 N ATOM 621 CA LEU A 43 12.924 -14.630 2.678 1.00 34.43 C ATOM 622 C LEU A 43 11.958 -15.779 2.405 1.00 23.41 C ATOM 623 O LEU A 43 11.784 -16.219 1.268 1.00 13.04 O ATOM 624 CB LEU A 43 12.158 -13.307 2.727 1.00 3.13 C ATOM 625 CG LEU A 43 12.965 -12.052 2.390 1.00 32.34 C ATOM 626 CD1 LEU A 43 12.079 -10.817 2.446 1.00 60.32 C ATOM 627 CD2 LEU A 43 14.146 -11.907 3.339 1.00 52.20 C ATOM 0 H LEU A 43 13.798 -13.891 0.921 1.00 33.31 H new ATOM 0 HA LEU A 43 13.402 -14.802 3.642 1.00 34.43 H new ATOM 0 HB2 LEU A 43 11.318 -13.371 2.036 1.00 3.13 H new ATOM 0 HB3 LEU A 43 11.740 -13.189 3.727 1.00 3.13 H new ATOM 0 HG LEU A 43 13.350 -12.152 1.375 1.00 32.34 H new ATOM 0 HD11 LEU A 43 12.670 -9.934 2.204 1.00 60.32 H new ATOM 0 HD12 LEU A 43 11.267 -10.919 1.726 1.00 60.32 H new ATOM 0 HD13 LEU A 43 11.664 -10.712 3.449 1.00 60.32 H new ATOM 0 HD21 LEU A 43 14.709 -11.009 3.085 1.00 52.20 H new ATOM 0 HD22 LEU A 43 13.782 -11.829 4.364 1.00 52.20 H new ATOM 0 HD23 LEU A 43 14.794 -12.779 3.249 1.00 52.20 H new ATOM 639 N PRO A 44 11.314 -16.277 3.471 1.00 74.12 N ATOM 640 CA PRO A 44 10.353 -17.380 3.371 1.00 54.52 C ATOM 641 C PRO A 44 9.067 -16.965 2.664 1.00 73.33 C ATOM 642 O PRO A 44 8.346 -16.082 3.131 1.00 62.44 O ATOM 643 CB PRO A 44 10.068 -17.736 4.832 1.00 3.21 C ATOM 644 CG PRO A 44 10.352 -16.485 5.589 1.00 1.42 C ATOM 645 CD PRO A 44 11.473 -15.802 4.855 1.00 11.33 C ATOM 0 HA PRO A 44 10.745 -18.211 2.784 1.00 54.52 H new ATOM 0 HB2 PRO A 44 9.034 -18.055 4.967 1.00 3.21 H new ATOM 0 HB3 PRO A 44 10.701 -18.556 5.170 1.00 3.21 H new ATOM 0 HG2 PRO A 44 9.469 -15.847 5.634 1.00 1.42 H new ATOM 0 HG3 PRO A 44 10.637 -16.707 6.617 1.00 1.42 H new ATOM 0 HD2 PRO A 44 11.393 -14.717 4.919 1.00 11.33 H new ATOM 0 HD3 PRO A 44 12.446 -16.074 5.264 1.00 11.33 H new ATOM 653 N HIS A 45 8.784 -17.608 1.535 1.00 33.22 N ATOM 654 CA HIS A 45 7.583 -17.307 0.764 1.00 50.31 C ATOM 655 C HIS A 45 6.341 -17.359 1.649 1.00 4.52 C ATOM 656 O HIS A 45 6.006 -18.404 2.204 1.00 11.23 O ATOM 657 CB HIS A 45 7.437 -18.290 -0.397 1.00 71.45 C ATOM 658 CG HIS A 45 7.397 -19.724 0.033 1.00 32.24 C ATOM 659 ND1 HIS A 45 6.234 -20.464 0.079 1.00 10.03 N ATOM 660 CD2 HIS A 45 8.386 -20.555 0.438 1.00 72.13 C ATOM 661 CE1 HIS A 45 6.509 -21.687 0.495 1.00 63.42 C ATOM 662 NE2 HIS A 45 7.808 -21.769 0.719 1.00 44.02 N ATOM 0 H HIS A 45 9.370 -18.340 1.134 1.00 33.22 H new ATOM 0 HA HIS A 45 7.681 -16.297 0.365 1.00 50.31 H new ATOM 0 HB2 HIS A 45 6.524 -18.058 -0.946 1.00 71.45 H new ATOM 0 HB3 HIS A 45 8.268 -18.150 -1.088 1.00 71.45 H new ATOM 0 HD2 HIS A 45 9.434 -20.309 0.524 1.00 72.13 H new ATOM 0 HE1 HIS A 45 5.793 -22.485 0.629 1.00 63.42 H new ATOM 0 HE2 HIS A 45 8.302 -22.599 1.047 1.00 44.02 H new ATOM 670 N GLY A 46 5.663 -16.222 1.777 1.00 44.22 N ATOM 671 CA GLY A 46 4.468 -16.159 2.597 1.00 75.55 C ATOM 672 C GLY A 46 4.539 -15.066 3.644 1.00 21.54 C ATOM 673 O GLY A 46 3.535 -14.733 4.275 1.00 24.34 O ATOM 0 H GLY A 46 5.921 -15.344 1.327 1.00 44.22 H new ATOM 0 HA2 GLY A 46 3.601 -15.990 1.958 1.00 75.55 H new ATOM 0 HA3 GLY A 46 4.318 -17.120 3.089 1.00 75.55 H new ATOM 677 N THR A 47 5.730 -14.507 3.833 1.00 41.50 N ATOM 678 CA THR A 47 5.930 -13.447 4.814 1.00 71.14 C ATOM 679 C THR A 47 5.689 -12.074 4.196 1.00 25.14 C ATOM 680 O THR A 47 6.402 -11.661 3.282 1.00 73.02 O ATOM 681 CB THR A 47 7.352 -13.490 5.405 1.00 54.31 C ATOM 682 OG1 THR A 47 7.554 -14.722 6.106 1.00 51.21 O ATOM 683 CG2 THR A 47 7.580 -12.319 6.350 1.00 61.44 C ATOM 0 H THR A 47 6.571 -14.771 3.320 1.00 41.50 H new ATOM 0 HA THR A 47 5.208 -13.614 5.613 1.00 71.14 H new ATOM 0 HB THR A 47 8.066 -13.419 4.584 1.00 54.31 H new ATOM 0 HG1 THR A 47 7.438 -15.473 5.487 1.00 51.21 H new ATOM 0 HG21 THR A 47 8.591 -12.370 6.755 1.00 61.44 H new ATOM 0 HG22 THR A 47 7.454 -11.383 5.806 1.00 61.44 H new ATOM 0 HG23 THR A 47 6.859 -12.364 7.166 1.00 61.44 H new ATOM 691 N ALA A 48 4.682 -11.371 4.703 1.00 71.01 N ATOM 692 CA ALA A 48 4.350 -10.043 4.203 1.00 53.23 C ATOM 693 C ALA A 48 5.347 -9.003 4.703 1.00 54.24 C ATOM 694 O ALA A 48 5.863 -9.108 5.815 1.00 2.41 O ATOM 695 CB ALA A 48 2.935 -9.662 4.615 1.00 24.10 C ATOM 0 H ALA A 48 4.082 -11.699 5.460 1.00 71.01 H new ATOM 0 HA ALA A 48 4.405 -10.067 3.115 1.00 53.23 H new ATOM 0 HB1 ALA A 48 2.701 -8.668 4.235 1.00 24.10 H new ATOM 0 HB2 ALA A 48 2.229 -10.384 4.203 1.00 24.10 H new ATOM 0 HB3 ALA A 48 2.860 -9.661 5.702 1.00 24.10 H new ATOM 701 N VAL A 49 5.613 -7.999 3.873 1.00 4.11 N ATOM 702 CA VAL A 49 6.549 -6.939 4.231 1.00 35.23 C ATOM 703 C VAL A 49 5.935 -5.563 3.999 1.00 70.13 C ATOM 704 O VAL A 49 5.298 -5.322 2.974 1.00 34.51 O ATOM 705 CB VAL A 49 7.857 -7.049 3.425 1.00 15.24 C ATOM 706 CG1 VAL A 49 8.880 -6.042 3.929 1.00 70.43 C ATOM 707 CG2 VAL A 49 8.409 -8.464 3.497 1.00 72.42 C ATOM 0 H VAL A 49 5.194 -7.897 2.949 1.00 4.11 H new ATOM 0 HA VAL A 49 6.774 -7.059 5.291 1.00 35.23 H new ATOM 0 HB VAL A 49 7.641 -6.821 2.381 1.00 15.24 H new ATOM 0 HG11 VAL A 49 9.798 -6.134 3.348 1.00 70.43 H new ATOM 0 HG12 VAL A 49 8.482 -5.033 3.821 1.00 70.43 H new ATOM 0 HG13 VAL A 49 9.095 -6.236 4.980 1.00 70.43 H new ATOM 0 HG21 VAL A 49 9.333 -8.524 2.922 1.00 72.42 H new ATOM 0 HG22 VAL A 49 8.611 -8.723 4.536 1.00 72.42 H new ATOM 0 HG23 VAL A 49 7.679 -9.161 3.084 1.00 72.42 H new ATOM 717 N GLU A 50 6.133 -4.663 4.957 1.00 34.32 N ATOM 718 CA GLU A 50 5.598 -3.310 4.856 1.00 31.51 C ATOM 719 C GLU A 50 6.485 -2.440 3.971 1.00 54.34 C ATOM 720 O GLU A 50 7.712 -2.492 4.059 1.00 61.14 O ATOM 721 CB GLU A 50 5.473 -2.683 6.246 1.00 54.42 C ATOM 722 CG GLU A 50 5.128 -1.203 6.216 1.00 33.14 C ATOM 723 CD GLU A 50 4.396 -0.750 7.465 1.00 42.41 C ATOM 724 OE1 GLU A 50 4.856 -1.084 8.577 1.00 51.52 O ATOM 725 OE2 GLU A 50 3.364 -0.060 7.329 1.00 33.22 O ATOM 0 H GLU A 50 6.659 -4.846 5.811 1.00 34.32 H new ATOM 0 HA GLU A 50 4.609 -3.370 4.402 1.00 31.51 H new ATOM 0 HB2 GLU A 50 4.706 -3.215 6.808 1.00 54.42 H new ATOM 0 HB3 GLU A 50 6.412 -2.818 6.782 1.00 54.42 H new ATOM 0 HG2 GLU A 50 6.044 -0.622 6.105 1.00 33.14 H new ATOM 0 HG3 GLU A 50 4.511 -0.995 5.342 1.00 33.14 H new ATOM 732 N LEU A 51 5.855 -1.640 3.117 1.00 13.12 N ATOM 733 CA LEU A 51 6.585 -0.757 2.214 1.00 22.23 C ATOM 734 C LEU A 51 6.305 0.707 2.539 1.00 61.42 C ATOM 735 O LEU A 51 5.345 1.303 2.052 1.00 54.24 O ATOM 736 CB LEU A 51 6.204 -1.052 0.762 1.00 12.54 C ATOM 737 CG LEU A 51 6.590 -2.433 0.234 1.00 70.41 C ATOM 738 CD1 LEU A 51 5.550 -2.937 -0.755 1.00 13.34 C ATOM 739 CD2 LEU A 51 7.967 -2.391 -0.413 1.00 33.50 C ATOM 0 H LEU A 51 4.840 -1.585 3.031 1.00 13.12 H new ATOM 0 HA LEU A 51 7.651 -0.942 2.348 1.00 22.23 H new ATOM 0 HB2 LEU A 51 5.125 -0.935 0.660 1.00 12.54 H new ATOM 0 HB3 LEU A 51 6.669 -0.299 0.125 1.00 12.54 H new ATOM 0 HG LEU A 51 6.626 -3.125 1.075 1.00 70.41 H new ATOM 0 HD11 LEU A 51 5.842 -3.922 -1.120 1.00 13.34 H new ATOM 0 HD12 LEU A 51 4.581 -3.006 -0.260 1.00 13.34 H new ATOM 0 HD13 LEU A 51 5.480 -2.245 -1.594 1.00 13.34 H new ATOM 0 HD21 LEU A 51 8.225 -3.383 -0.783 1.00 33.50 H new ATOM 0 HD22 LEU A 51 7.957 -1.685 -1.243 1.00 33.50 H new ATOM 0 HD23 LEU A 51 8.706 -2.075 0.324 1.00 33.50 H new ATOM 751 N PRO A 52 7.164 1.301 3.380 1.00 40.40 N ATOM 752 CA PRO A 52 7.031 2.704 3.786 1.00 24.42 C ATOM 753 C PRO A 52 7.329 3.669 2.644 1.00 64.21 C ATOM 754 O PRO A 52 8.101 3.354 1.738 1.00 24.01 O ATOM 755 CB PRO A 52 8.074 2.851 4.897 1.00 44.32 C ATOM 756 CG PRO A 52 9.088 1.799 4.607 1.00 43.14 C ATOM 757 CD PRO A 52 8.331 0.651 3.999 1.00 62.12 C ATOM 0 HA PRO A 52 6.015 2.943 4.101 1.00 24.42 H new ATOM 0 HB2 PRO A 52 8.522 3.845 4.891 1.00 44.32 H new ATOM 0 HB3 PRO A 52 7.627 2.709 5.881 1.00 44.32 H new ATOM 0 HG2 PRO A 52 9.850 2.170 3.922 1.00 43.14 H new ATOM 0 HG3 PRO A 52 9.601 1.490 5.518 1.00 43.14 H new ATOM 0 HD2 PRO A 52 8.932 0.119 3.262 1.00 62.12 H new ATOM 0 HD3 PRO A 52 8.032 -0.077 4.753 1.00 62.12 H new ATOM 765 N ASP A 53 6.713 4.845 2.693 1.00 21.52 N ATOM 766 CA ASP A 53 6.914 5.857 1.663 1.00 72.22 C ATOM 767 C ASP A 53 6.416 5.360 0.309 1.00 40.20 C ATOM 768 O ASP A 53 7.087 5.526 -0.710 1.00 12.01 O ATOM 769 CB ASP A 53 8.393 6.234 1.569 1.00 22.42 C ATOM 770 CG ASP A 53 8.597 7.689 1.199 1.00 45.44 C ATOM 771 OD1 ASP A 53 7.622 8.331 0.758 1.00 54.53 O ATOM 772 OD2 ASP A 53 9.734 8.186 1.349 1.00 55.44 O ATOM 0 H ASP A 53 6.070 5.121 3.435 1.00 21.52 H new ATOM 0 HA ASP A 53 6.339 6.741 1.940 1.00 72.22 H new ATOM 0 HB2 ASP A 53 8.877 6.034 2.525 1.00 22.42 H new ATOM 0 HB3 ASP A 53 8.880 5.602 0.826 1.00 22.42 H new ATOM 777 N VAL A 54 5.235 4.749 0.306 1.00 45.20 N ATOM 778 CA VAL A 54 4.647 4.228 -0.922 1.00 44.12 C ATOM 779 C VAL A 54 3.191 4.658 -1.060 1.00 44.50 C ATOM 780 O VAL A 54 2.463 4.740 -0.072 1.00 15.22 O ATOM 781 CB VAL A 54 4.724 2.691 -0.973 1.00 32.42 C ATOM 782 CG1 VAL A 54 4.072 2.165 -2.243 1.00 31.14 C ATOM 783 CG2 VAL A 54 6.169 2.226 -0.874 1.00 30.11 C ATOM 0 H VAL A 54 4.667 4.603 1.141 1.00 45.20 H new ATOM 0 HA VAL A 54 5.224 4.641 -1.749 1.00 44.12 H new ATOM 0 HB VAL A 54 4.178 2.289 -0.120 1.00 32.42 H new ATOM 0 HG11 VAL A 54 4.136 1.077 -2.261 1.00 31.14 H new ATOM 0 HG12 VAL A 54 3.025 2.467 -2.266 1.00 31.14 H new ATOM 0 HG13 VAL A 54 4.587 2.573 -3.112 1.00 31.14 H new ATOM 0 HG21 VAL A 54 6.204 1.137 -0.912 1.00 30.11 H new ATOM 0 HG22 VAL A 54 6.741 2.637 -1.706 1.00 30.11 H new ATOM 0 HG23 VAL A 54 6.598 2.571 0.067 1.00 30.11 H new