USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 434 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 6 HIS : no HD1:sc= -0.918 K(o=-0.92,f=-3.3!) USER MOD Set 1.2: A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ARG N :NH3+ -146:sc= -1.16! (180deg=-4.34!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.347 K(o=-0.35,f=-3.7!) USER MOD Single : A 9 THR OG1 : rot 13:sc= 1.05 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 33:sc= 0.796 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -115:sc= -3.13! (180deg=-5.87!) USER MOD Single : A 25 ASN : amide:sc= -3.52! C(o=-3.5!,f=-4.2!) USER MOD Single : A 28 THR OG1 : rot -129:sc= 0.978 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 19:sc= 0.637 USER MOD Single : A 56 LYS NZ :NH3+ 168:sc= -0.8! (180deg=-1.21!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 40.749 25.069 67.149 1.00 0.00 N ATOM 2 CA ARG A 1 39.402 24.654 66.539 1.00 0.00 C ATOM 3 C ARG A 1 39.401 25.039 65.021 1.00 0.00 C ATOM 4 O ARG A 1 40.398 25.530 64.499 1.00 0.00 O ATOM 5 CB ARG A 1 38.250 25.349 67.282 1.00 0.00 C ATOM 6 CG ARG A 1 37.789 24.662 68.584 1.00 0.00 C ATOM 7 CD ARG A 1 36.574 25.406 69.207 1.00 0.00 C ATOM 8 NE ARG A 1 36.585 25.660 70.673 1.00 0.00 N ATOM 9 CZ ARG A 1 37.322 26.583 71.277 1.00 0.00 C ATOM 10 NH1 ARG A 1 38.422 27.041 70.758 1.00 0.00 N ATOM 11 NH2 ARG A 1 36.919 27.071 72.422 1.00 0.00 N ATOM 0 H1 ARG A 1 41.022 24.386 67.885 1.00 0.00 H new ATOM 0 H2 ARG A 1 41.476 25.086 66.406 1.00 0.00 H new ATOM 0 H3 ARG A 1 40.662 26.016 67.570 1.00 0.00 H new ATOM 0 HA ARG A 1 39.261 23.578 66.638 1.00 0.00 H new ATOM 0 HB2 ARG A 1 38.556 26.368 67.518 1.00 0.00 H new ATOM 0 HB3 ARG A 1 37.397 25.420 66.608 1.00 0.00 H new ATOM 0 HG2 ARG A 1 37.519 23.627 68.377 1.00 0.00 H new ATOM 0 HG3 ARG A 1 38.612 24.640 69.299 1.00 0.00 H new ATOM 0 HD2 ARG A 1 36.477 26.367 68.703 1.00 0.00 H new ATOM 0 HD3 ARG A 1 35.677 24.832 68.975 1.00 0.00 H new ATOM 0 HE ARG A 1 35.981 25.082 71.257 1.00 0.00 H new ATOM 0 HH11 ARG A 1 38.745 26.690 69.856 1.00 0.00 H new ATOM 0 HH12 ARG A 1 38.962 27.751 71.252 1.00 0.00 H new ATOM 0 HH21 ARG A 1 36.048 26.741 72.839 1.00 0.00 H new ATOM 0 HH22 ARG A 1 37.475 27.781 72.898 1.00 0.00 H new ATOM 27 N ILE A 2 38.242 24.752 64.306 1.00 0.00 N ATOM 28 CA ILE A 2 38.151 25.074 62.871 1.00 0.00 C ATOM 29 C ILE A 2 37.846 26.607 62.720 1.00 0.00 C ATOM 30 O ILE A 2 36.865 27.143 63.234 1.00 0.00 O ATOM 31 CB ILE A 2 37.054 24.332 62.052 1.00 0.00 C ATOM 32 CG1 ILE A 2 37.119 22.784 62.188 1.00 0.00 C ATOM 33 CG2 ILE A 2 37.077 24.749 60.551 1.00 0.00 C ATOM 34 CD1 ILE A 2 35.745 22.136 62.441 1.00 0.00 C ATOM 0 H ILE A 2 37.409 24.318 64.704 1.00 0.00 H new ATOM 0 HA ILE A 2 39.111 24.752 62.468 1.00 0.00 H new ATOM 0 HB ILE A 2 36.105 24.645 62.488 1.00 0.00 H new ATOM 0 HG12 ILE A 2 37.549 22.364 61.279 1.00 0.00 H new ATOM 0 HG13 ILE A 2 37.791 22.526 63.007 1.00 0.00 H new ATOM 0 HG21 ILE A 2 36.298 24.211 60.012 1.00 0.00 H new ATOM 0 HG22 ILE A 2 36.901 25.821 60.469 1.00 0.00 H new ATOM 0 HG23 ILE A 2 38.049 24.507 60.121 1.00 0.00 H new ATOM 0 HD11 ILE A 2 35.862 21.056 62.526 1.00 0.00 H new ATOM 0 HD12 ILE A 2 35.322 22.529 63.366 1.00 0.00 H new ATOM 0 HD13 ILE A 2 35.077 22.364 61.611 1.00 0.00 H new ATOM 46 N CYS A 3 38.727 27.318 61.919 1.00 0.00 N ATOM 47 CA CYS A 3 38.354 28.631 61.399 1.00 0.00 C ATOM 48 C CYS A 3 38.945 28.727 59.939 1.00 0.00 C ATOM 49 O CYS A 3 39.967 28.129 59.597 1.00 0.00 O ATOM 50 CB CYS A 3 38.756 29.903 62.174 1.00 0.00 C ATOM 51 SG CYS A 3 37.998 30.360 63.793 1.00 0.00 S ATOM 0 H CYS A 3 39.655 26.993 61.647 1.00 0.00 H new ATOM 0 HA CYS A 3 37.267 28.648 61.481 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.831 29.840 62.340 1.00 0.00 H new ATOM 0 HB3 CYS A 3 38.586 30.744 61.502 1.00 0.00 H new ATOM 56 N TYR A 4 38.246 29.537 59.057 1.00 0.00 N ATOM 57 CA TYR A 4 38.557 29.510 57.617 1.00 0.00 C ATOM 58 C TYR A 4 39.606 30.572 57.185 1.00 0.00 C ATOM 59 O TYR A 4 39.757 31.612 57.816 1.00 0.00 O ATOM 60 CB TYR A 4 37.259 29.781 56.827 1.00 0.00 C ATOM 61 CG TYR A 4 36.071 28.978 57.335 1.00 0.00 C ATOM 62 CD1 TYR A 4 36.182 27.660 57.777 1.00 0.00 C ATOM 63 CD2 TYR A 4 34.819 29.580 57.441 1.00 0.00 C ATOM 64 CE1 TYR A 4 35.101 26.967 58.288 1.00 0.00 C ATOM 65 CE2 TYR A 4 33.720 28.905 57.948 1.00 0.00 C ATOM 66 CZ TYR A 4 33.833 27.573 58.355 1.00 0.00 C ATOM 67 OH TYR A 4 32.776 26.846 58.813 1.00 0.00 O ATOM 0 H TYR A 4 37.501 30.180 59.326 1.00 0.00 H new ATOM 0 HA TYR A 4 38.979 28.527 57.407 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.022 30.843 56.883 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.425 29.546 55.776 1.00 0.00 H new ATOM 0 HD1 TYR A 4 37.141 27.166 57.718 1.00 0.00 H new ATOM 0 HD2 TYR A 4 34.701 30.604 57.118 1.00 0.00 H new ATOM 0 HE1 TYR A 4 35.230 25.954 58.638 1.00 0.00 H new ATOM 0 HE2 TYR A 4 32.770 29.412 58.029 1.00 0.00 H new ATOM 0 HH TYR A 4 31.968 27.401 58.802 1.00 0.00 H new ATOM 77 N ASN A 5 40.294 30.322 56.011 1.00 0.00 N ATOM 78 CA ASN A 5 41.349 31.243 55.543 1.00 0.00 C ATOM 79 C ASN A 5 41.140 31.689 54.065 1.00 0.00 C ATOM 80 O ASN A 5 42.090 32.163 53.442 1.00 0.00 O ATOM 81 CB ASN A 5 42.743 30.634 55.796 1.00 0.00 C ATOM 82 CG ASN A 5 42.995 29.373 54.977 1.00 0.00 C ATOM 83 OD1 ASN A 5 42.539 29.166 53.867 1.00 0.00 O ATOM 84 ND2 ASN A 5 43.803 28.485 55.589 1.00 0.00 N ATOM 0 H ASN A 5 40.130 29.516 55.407 1.00 0.00 H new ATOM 0 HA ASN A 5 41.280 32.160 56.128 1.00 0.00 H new ATOM 0 HB2 ASN A 5 43.507 31.375 55.558 1.00 0.00 H new ATOM 0 HB3 ASN A 5 42.845 30.400 56.856 1.00 0.00 H new ATOM 0 HD21 ASN A 5 44.048 27.612 55.122 1.00 0.00 H new ATOM 0 HD22 ASN A 5 44.170 28.686 56.519 1.00 0.00 H new ATOM 91 N HIS A 6 39.863 31.622 53.521 1.00 0.00 N ATOM 92 CA HIS A 6 39.594 31.788 52.102 1.00 0.00 C ATOM 93 C HIS A 6 39.664 33.266 51.568 1.00 0.00 C ATOM 94 O HIS A 6 40.065 34.169 52.295 1.00 0.00 O ATOM 95 CB HIS A 6 40.303 30.688 51.227 1.00 0.00 C ATOM 96 CG HIS A 6 41.688 30.988 50.685 1.00 0.00 C ATOM 97 ND1 HIS A 6 42.156 32.264 50.314 1.00 0.00 N ATOM 98 CD2 HIS A 6 42.748 30.163 50.426 1.00 0.00 C ATOM 99 CE1 HIS A 6 43.416 32.229 49.897 1.00 0.00 C ATOM 100 NE2 HIS A 6 43.793 30.944 49.957 1.00 0.00 N ATOM 0 H HIS A 6 39.027 31.452 54.080 1.00 0.00 H new ATOM 0 HA HIS A 6 38.530 31.590 51.976 1.00 0.00 H new ATOM 0 HB2 HIS A 6 40.369 29.778 51.824 1.00 0.00 H new ATOM 0 HB3 HIS A 6 39.654 30.467 50.380 1.00 0.00 H new ATOM 0 HD2 HIS A 6 42.767 29.092 50.563 1.00 0.00 H new ATOM 0 HE1 HIS A 6 44.016 33.067 49.574 1.00 0.00 H new ATOM 0 HE2 HIS A 6 44.714 30.592 49.696 1.00 0.00 H new ATOM 109 N LEU A 7 39.207 33.498 50.273 1.00 0.00 N ATOM 110 CA LEU A 7 39.046 34.854 49.739 1.00 0.00 C ATOM 111 C LEU A 7 40.394 35.580 49.411 1.00 0.00 C ATOM 112 O LEU A 7 41.453 34.971 49.281 1.00 0.00 O ATOM 113 CB LEU A 7 38.054 35.685 50.579 1.00 0.00 C ATOM 114 CG LEU A 7 36.646 35.069 50.752 1.00 0.00 C ATOM 115 CD1 LEU A 7 35.995 35.654 52.011 1.00 0.00 C ATOM 116 CD2 LEU A 7 35.779 35.310 49.504 1.00 0.00 C ATOM 0 H LEU A 7 38.957 32.757 49.618 1.00 0.00 H new ATOM 0 HA LEU A 7 38.586 34.745 48.757 1.00 0.00 H new ATOM 0 HB2 LEU A 7 38.486 35.843 51.567 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.947 36.666 50.117 1.00 0.00 H new ATOM 0 HG LEU A 7 36.736 33.989 50.870 1.00 0.00 H new ATOM 0 HD11 LEU A 7 35.002 35.224 52.140 1.00 0.00 H new ATOM 0 HD12 LEU A 7 36.608 35.418 52.881 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.912 36.736 51.908 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.795 34.866 49.654 1.00 0.00 H new ATOM 0 HD22 LEU A 7 35.672 36.382 49.337 1.00 0.00 H new ATOM 0 HD23 LEU A 7 36.255 34.853 48.636 1.00 0.00 H new ATOM 128 N GLY A 8 40.267 36.931 49.137 1.00 0.00 N ATOM 129 CA GLY A 8 41.372 37.758 48.647 1.00 0.00 C ATOM 130 C GLY A 8 41.370 37.793 47.111 1.00 0.00 C ATOM 131 O GLY A 8 41.480 38.852 46.502 1.00 0.00 O ATOM 0 H GLY A 8 39.394 37.444 49.258 1.00 0.00 H new ATOM 0 HA2 GLY A 8 41.280 38.770 49.041 1.00 0.00 H new ATOM 0 HA3 GLY A 8 42.321 37.360 49.007 1.00 0.00 H new ATOM 135 N THR A 9 41.315 36.556 46.502 1.00 0.00 N ATOM 136 CA THR A 9 41.327 36.341 45.061 1.00 0.00 C ATOM 137 C THR A 9 41.066 34.823 44.877 1.00 0.00 C ATOM 138 O THR A 9 40.219 34.431 44.077 1.00 0.00 O ATOM 139 CB THR A 9 42.637 36.692 44.280 1.00 0.00 C ATOM 140 OG1 THR A 9 42.950 38.089 44.293 1.00 0.00 O ATOM 141 CG2 THR A 9 42.577 36.343 42.785 1.00 0.00 C ATOM 0 H THR A 9 41.261 35.687 47.034 1.00 0.00 H new ATOM 0 HA THR A 9 40.585 37.022 44.644 1.00 0.00 H new ATOM 0 HB THR A 9 43.383 36.097 44.807 1.00 0.00 H new ATOM 0 HG1 THR A 9 42.393 38.543 44.959 1.00 0.00 H new ATOM 0 HG21 THR A 9 43.520 36.615 42.310 1.00 0.00 H new ATOM 0 HG22 THR A 9 42.407 35.273 42.668 1.00 0.00 H new ATOM 0 HG23 THR A 9 41.762 36.894 42.315 1.00 0.00 H new ATOM 149 N LYS A 10 41.834 33.946 45.640 1.00 0.00 N ATOM 150 CA LYS A 10 41.647 32.495 45.483 1.00 0.00 C ATOM 151 C LYS A 10 40.340 31.981 46.212 1.00 0.00 C ATOM 152 O LYS A 10 39.933 32.506 47.245 1.00 0.00 O ATOM 153 CB LYS A 10 42.844 31.625 45.960 1.00 0.00 C ATOM 154 CG LYS A 10 44.186 31.805 45.191 1.00 0.00 C ATOM 155 CD LYS A 10 44.023 31.795 43.653 1.00 0.00 C ATOM 156 CE LYS A 10 45.329 31.859 42.851 1.00 0.00 C ATOM 157 NZ LYS A 10 45.005 31.934 41.351 1.00 0.00 N ATOM 0 H LYS A 10 42.539 34.226 46.322 1.00 0.00 H new ATOM 0 HA LYS A 10 41.559 32.369 44.404 1.00 0.00 H new ATOM 0 HB2 LYS A 10 43.023 31.840 47.013 1.00 0.00 H new ATOM 0 HB3 LYS A 10 42.551 30.577 45.894 1.00 0.00 H new ATOM 0 HG2 LYS A 10 44.645 32.746 45.493 1.00 0.00 H new ATOM 0 HG3 LYS A 10 44.871 31.008 45.481 1.00 0.00 H new ATOM 0 HD2 LYS A 10 43.486 30.891 43.368 1.00 0.00 H new ATOM 0 HD3 LYS A 10 43.398 32.641 43.366 1.00 0.00 H new ATOM 0 HE2 LYS A 10 45.911 32.730 43.152 1.00 0.00 H new ATOM 0 HE3 LYS A 10 45.939 30.980 43.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 45.890 31.977 40.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 44.466 31.090 41.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 44.439 32.785 41.160 1.00 0.00 H new ATOM 171 N PRO A 11 39.737 30.845 45.654 1.00 0.00 N ATOM 172 CA PRO A 11 38.507 30.250 46.203 1.00 0.00 C ATOM 173 C PRO A 11 38.615 29.721 47.676 1.00 0.00 C ATOM 174 O PRO A 11 39.714 29.599 48.210 1.00 0.00 O ATOM 175 CB PRO A 11 38.234 29.011 45.317 1.00 0.00 C ATOM 176 CG PRO A 11 38.937 29.282 43.973 1.00 0.00 C ATOM 177 CD PRO A 11 39.935 30.414 44.267 1.00 0.00 C ATOM 0 HA PRO A 11 37.739 31.024 46.210 1.00 0.00 H new ATOM 0 HB2 PRO A 11 38.622 28.105 45.784 1.00 0.00 H new ATOM 0 HB3 PRO A 11 37.164 28.863 45.174 1.00 0.00 H new ATOM 0 HG2 PRO A 11 39.447 28.391 43.608 1.00 0.00 H new ATOM 0 HG3 PRO A 11 38.221 29.576 43.205 1.00 0.00 H new ATOM 0 HD2 PRO A 11 40.958 30.068 44.118 1.00 0.00 H new ATOM 0 HD3 PRO A 11 39.778 31.248 43.583 1.00 0.00 H new ATOM 185 N PRO A 12 37.429 29.302 48.279 1.00 0.00 N ATOM 186 CA PRO A 12 37.372 28.796 49.665 1.00 0.00 C ATOM 187 C PRO A 12 38.363 27.643 50.029 1.00 0.00 C ATOM 188 O PRO A 12 38.662 26.733 49.260 1.00 0.00 O ATOM 189 CB PRO A 12 35.926 28.307 49.835 1.00 0.00 C ATOM 190 CG PRO A 12 35.172 29.389 49.054 1.00 0.00 C ATOM 191 CD PRO A 12 36.056 29.528 47.808 1.00 0.00 C ATOM 0 HA PRO A 12 37.675 29.600 50.336 1.00 0.00 H new ATOM 0 HB2 PRO A 12 35.773 27.312 49.418 1.00 0.00 H new ATOM 0 HB3 PRO A 12 35.623 28.264 50.881 1.00 0.00 H new ATOM 0 HG2 PRO A 12 34.155 29.084 48.805 1.00 0.00 H new ATOM 0 HG3 PRO A 12 35.097 30.322 49.612 1.00 0.00 H new ATOM 0 HD2 PRO A 12 35.777 28.801 47.045 1.00 0.00 H new ATOM 0 HD3 PRO A 12 35.952 30.516 47.360 1.00 0.00 H new ATOM 199 N THR A 13 38.824 27.705 51.336 1.00 0.00 N ATOM 200 CA THR A 13 39.779 26.759 51.917 1.00 0.00 C ATOM 201 C THR A 13 39.791 27.017 53.478 1.00 0.00 C ATOM 202 O THR A 13 39.489 28.115 53.950 1.00 0.00 O ATOM 203 CB THR A 13 41.245 26.835 51.423 1.00 0.00 C ATOM 204 OG1 THR A 13 41.407 27.023 50.018 1.00 0.00 O ATOM 205 CG2 THR A 13 42.216 25.714 51.863 1.00 0.00 C ATOM 0 H THR A 13 38.524 28.426 51.992 1.00 0.00 H new ATOM 0 HA THR A 13 39.432 25.774 51.606 1.00 0.00 H new ATOM 0 HB THR A 13 41.534 27.739 51.960 1.00 0.00 H new ATOM 0 HG1 THR A 13 42.362 27.060 49.801 1.00 0.00 H new ATOM 0 HG21 THR A 13 43.203 25.901 51.441 1.00 0.00 H new ATOM 0 HG22 THR A 13 42.283 25.697 52.951 1.00 0.00 H new ATOM 0 HG23 THR A 13 41.846 24.752 51.508 1.00 0.00 H new ATOM 213 N THR A 14 40.194 25.956 54.270 1.00 0.00 N ATOM 214 CA THR A 14 39.942 25.922 55.719 1.00 0.00 C ATOM 215 C THR A 14 41.101 25.266 56.538 1.00 0.00 C ATOM 216 O THR A 14 41.845 24.435 56.022 1.00 0.00 O ATOM 217 CB THR A 14 38.638 25.140 55.952 1.00 0.00 C ATOM 218 OG1 THR A 14 38.683 23.760 55.575 1.00 0.00 O ATOM 219 CG2 THR A 14 37.473 25.786 55.159 1.00 0.00 C ATOM 0 H THR A 14 40.685 25.137 53.912 1.00 0.00 H new ATOM 0 HA THR A 14 39.868 26.951 56.071 1.00 0.00 H new ATOM 0 HB THR A 14 38.489 25.186 57.031 1.00 0.00 H new ATOM 0 HG1 THR A 14 37.816 23.342 55.759 1.00 0.00 H new ATOM 0 HG21 THR A 14 36.557 25.222 55.334 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.334 26.815 55.490 1.00 0.00 H new ATOM 0 HG23 THR A 14 37.708 25.776 54.095 1.00 0.00 H new ATOM 227 N GLU A 15 41.209 25.641 57.868 1.00 0.00 N ATOM 228 CA GLU A 15 42.224 25.067 58.782 1.00 0.00 C ATOM 229 C GLU A 15 41.439 24.361 59.943 1.00 0.00 C ATOM 230 O GLU A 15 40.703 24.989 60.701 1.00 0.00 O ATOM 231 CB GLU A 15 43.208 26.085 59.422 1.00 0.00 C ATOM 232 CG GLU A 15 44.494 26.350 58.613 1.00 0.00 C ATOM 233 CD GLU A 15 45.140 27.638 59.116 1.00 0.00 C ATOM 234 OE1 GLU A 15 44.807 28.764 58.787 1.00 0.00 O ATOM 235 OE2 GLU A 15 46.127 27.398 59.977 1.00 0.00 O ATOM 0 H GLU A 15 40.602 26.333 58.307 1.00 0.00 H new ATOM 0 HA GLU A 15 42.844 24.401 58.181 1.00 0.00 H new ATOM 0 HB2 GLU A 15 42.686 27.031 59.565 1.00 0.00 H new ATOM 0 HB3 GLU A 15 43.488 25.723 60.411 1.00 0.00 H new ATOM 0 HG2 GLU A 15 45.186 25.515 58.721 1.00 0.00 H new ATOM 0 HG3 GLU A 15 44.260 26.435 57.552 1.00 0.00 H new ATOM 243 N THR A 16 41.662 23.000 60.098 1.00 0.00 N ATOM 244 CA THR A 16 41.089 22.177 61.191 1.00 0.00 C ATOM 245 C THR A 16 42.255 22.198 62.219 1.00 0.00 C ATOM 246 O THR A 16 43.148 21.350 62.197 1.00 0.00 O ATOM 247 CB THR A 16 40.697 20.733 60.773 1.00 0.00 C ATOM 248 OG1 THR A 16 39.614 20.809 59.843 1.00 0.00 O ATOM 249 CG2 THR A 16 40.310 19.820 61.949 1.00 0.00 C ATOM 0 H THR A 16 42.247 22.463 59.457 1.00 0.00 H new ATOM 0 HA THR A 16 40.140 22.565 61.561 1.00 0.00 H new ATOM 0 HB THR A 16 41.581 20.279 60.326 1.00 0.00 H new ATOM 0 HG1 THR A 16 39.355 19.905 59.568 1.00 0.00 H new ATOM 0 HG21 THR A 16 40.050 18.831 61.572 1.00 0.00 H new ATOM 0 HG22 THR A 16 41.151 19.736 62.637 1.00 0.00 H new ATOM 0 HG23 THR A 16 39.454 20.245 62.473 1.00 0.00 H new ATOM 257 N CYS A 17 42.240 23.227 63.148 1.00 0.00 N ATOM 258 CA CYS A 17 43.456 23.529 63.922 1.00 0.00 C ATOM 259 C CYS A 17 43.292 23.357 65.451 1.00 0.00 C ATOM 260 O CYS A 17 42.194 23.349 66.002 1.00 0.00 O ATOM 261 CB CYS A 17 43.808 24.971 63.591 1.00 0.00 C ATOM 262 SG CYS A 17 45.329 25.685 64.249 1.00 0.00 S ATOM 0 H CYS A 17 41.434 23.817 63.353 1.00 0.00 H new ATOM 0 HA CYS A 17 44.239 22.822 63.648 1.00 0.00 H new ATOM 0 HB2 CYS A 17 43.850 25.057 62.505 1.00 0.00 H new ATOM 0 HB3 CYS A 17 42.981 25.595 63.929 1.00 0.00 H new ATOM 267 N GLN A 18 44.488 23.268 66.125 1.00 0.00 N ATOM 268 CA GLN A 18 44.598 23.054 67.566 1.00 0.00 C ATOM 269 C GLN A 18 44.916 24.371 68.359 1.00 0.00 C ATOM 270 O GLN A 18 45.046 24.285 69.581 1.00 0.00 O ATOM 271 CB GLN A 18 45.586 21.920 67.916 1.00 0.00 C ATOM 272 CG GLN A 18 47.077 22.187 67.600 1.00 0.00 C ATOM 273 CD GLN A 18 47.972 21.424 68.577 1.00 0.00 C ATOM 274 OE1 GLN A 18 48.528 21.955 69.520 1.00 0.00 O ATOM 275 NE2 GLN A 18 48.096 20.100 68.329 1.00 0.00 N ATOM 0 H GLN A 18 45.392 23.346 65.658 1.00 0.00 H new ATOM 0 HA GLN A 18 43.610 22.731 67.894 1.00 0.00 H new ATOM 0 HB2 GLN A 18 45.495 21.704 68.981 1.00 0.00 H new ATOM 0 HB3 GLN A 18 45.279 21.021 67.381 1.00 0.00 H new ATOM 0 HG2 GLN A 18 47.299 21.881 66.578 1.00 0.00 H new ATOM 0 HG3 GLN A 18 47.284 23.255 67.665 1.00 0.00 H new ATOM 0 HE21 GLN A 18 47.617 19.684 67.530 1.00 0.00 H new ATOM 0 HE22 GLN A 18 48.668 19.518 68.941 1.00 0.00 H new ATOM 284 N GLU A 19 45.051 25.609 67.722 1.00 0.00 N ATOM 285 CA GLU A 19 45.274 26.822 68.528 1.00 0.00 C ATOM 286 C GLU A 19 43.869 27.174 69.116 1.00 0.00 C ATOM 287 O GLU A 19 42.948 27.557 68.397 1.00 0.00 O ATOM 288 CB GLU A 19 45.828 28.072 67.811 1.00 0.00 C ATOM 289 CG GLU A 19 47.369 28.109 67.697 1.00 0.00 C ATOM 290 CD GLU A 19 47.837 27.259 66.525 1.00 0.00 C ATOM 291 OE1 GLU A 19 47.763 27.571 65.358 1.00 0.00 O ATOM 292 OE2 GLU A 19 48.365 26.106 66.937 1.00 0.00 O ATOM 0 H GLU A 19 45.008 25.756 66.714 1.00 0.00 H new ATOM 0 HA GLU A 19 46.057 26.582 69.248 1.00 0.00 H new ATOM 0 HB2 GLU A 19 45.400 28.122 66.810 1.00 0.00 H new ATOM 0 HB3 GLU A 19 45.493 28.961 68.345 1.00 0.00 H new ATOM 0 HG2 GLU A 19 47.705 29.137 67.565 1.00 0.00 H new ATOM 0 HG3 GLU A 19 47.817 27.743 68.621 1.00 0.00 H new ATOM 300 N ASP A 20 43.773 27.095 70.498 1.00 0.00 N ATOM 301 CA ASP A 20 42.548 27.156 71.288 1.00 0.00 C ATOM 302 C ASP A 20 41.715 28.489 71.156 1.00 0.00 C ATOM 303 O ASP A 20 40.603 28.573 71.686 1.00 0.00 O ATOM 304 CB ASP A 20 41.733 25.854 71.239 1.00 0.00 C ATOM 305 CG ASP A 20 41.191 25.464 69.841 1.00 0.00 C ATOM 306 OD1 ASP A 20 40.518 26.326 69.262 1.00 0.00 O ATOM 307 OD2 ASP A 20 41.460 24.334 69.423 1.00 0.00 O ATOM 0 H ASP A 20 44.601 26.983 71.083 1.00 0.00 H new ATOM 0 HA ASP A 20 42.892 27.225 72.320 1.00 0.00 H new ATOM 0 HB2 ASP A 20 42.357 25.040 71.609 1.00 0.00 H new ATOM 0 HB3 ASP A 20 40.890 25.946 71.924 1.00 0.00 H new ATOM 312 N SER A 21 42.293 29.584 70.550 1.00 0.00 N ATOM 313 CA SER A 21 41.616 30.861 70.324 1.00 0.00 C ATOM 314 C SER A 21 41.818 31.136 68.800 1.00 0.00 C ATOM 315 O SER A 21 42.939 31.178 68.280 1.00 0.00 O ATOM 316 CB SER A 21 42.119 32.044 71.181 1.00 0.00 C ATOM 317 OG SER A 21 41.519 33.300 70.879 1.00 0.00 O ATOM 0 H SER A 21 43.255 29.577 70.210 1.00 0.00 H new ATOM 0 HA SER A 21 40.572 30.783 70.627 1.00 0.00 H new ATOM 0 HB2 SER A 21 41.940 31.815 72.231 1.00 0.00 H new ATOM 0 HB3 SER A 21 43.198 32.133 71.054 1.00 0.00 H new ATOM 0 HG SER A 21 40.589 33.160 70.602 1.00 0.00 H new ATOM 323 N CYS A 22 40.664 31.298 68.046 1.00 0.00 N ATOM 324 CA CYS A 22 40.745 31.568 66.614 1.00 0.00 C ATOM 325 C CYS A 22 40.048 32.909 66.245 1.00 0.00 C ATOM 326 O CYS A 22 39.101 33.369 66.877 1.00 0.00 O ATOM 327 CB CYS A 22 40.481 30.331 65.700 1.00 0.00 C ATOM 328 SG CYS A 22 38.897 29.466 65.391 1.00 0.00 S ATOM 0 H CYS A 22 39.717 31.243 68.420 1.00 0.00 H new ATOM 0 HA CYS A 22 41.791 31.748 66.368 1.00 0.00 H new ATOM 0 HB2 CYS A 22 40.839 30.627 64.714 1.00 0.00 H new ATOM 0 HB3 CYS A 22 41.158 29.559 66.066 1.00 0.00 H new ATOM 333 N TYR A 23 40.658 33.581 65.198 1.00 0.00 N ATOM 334 CA TYR A 23 40.482 35.021 65.002 1.00 0.00 C ATOM 335 C TYR A 23 39.952 35.460 63.615 1.00 0.00 C ATOM 336 O TYR A 23 40.062 34.761 62.607 1.00 0.00 O ATOM 337 CB TYR A 23 41.887 35.702 65.222 1.00 0.00 C ATOM 338 CG TYR A 23 42.909 35.314 64.167 1.00 0.00 C ATOM 339 CD1 TYR A 23 42.898 35.892 62.900 1.00 0.00 C ATOM 340 CD2 TYR A 23 43.894 34.361 64.420 1.00 0.00 C ATOM 341 CE1 TYR A 23 43.796 35.527 61.907 1.00 0.00 C ATOM 342 CE2 TYR A 23 44.807 33.983 63.446 1.00 0.00 C ATOM 343 CZ TYR A 23 44.761 34.552 62.160 1.00 0.00 C ATOM 344 OH TYR A 23 45.649 34.120 61.223 1.00 0.00 O ATOM 0 H TYR A 23 41.258 33.132 64.506 1.00 0.00 H new ATOM 0 HA TYR A 23 39.716 35.328 65.714 1.00 0.00 H new ATOM 0 HB2 TYR A 23 41.764 36.785 65.219 1.00 0.00 H new ATOM 0 HB3 TYR A 23 42.267 35.427 66.206 1.00 0.00 H new ATOM 0 HD1 TYR A 23 42.163 36.653 62.682 1.00 0.00 H new ATOM 0 HD2 TYR A 23 43.948 33.906 65.398 1.00 0.00 H new ATOM 0 HE1 TYR A 23 43.748 35.999 60.937 1.00 0.00 H new ATOM 0 HE2 TYR A 23 45.560 33.245 63.677 1.00 0.00 H new ATOM 0 HH TYR A 23 46.232 33.437 61.615 1.00 0.00 H new ATOM 354 N LYS A 24 39.415 36.738 63.639 1.00 0.00 N ATOM 355 CA LYS A 24 38.920 37.447 62.460 1.00 0.00 C ATOM 356 C LYS A 24 39.961 38.581 62.115 1.00 0.00 C ATOM 357 O LYS A 24 40.292 39.455 62.915 1.00 0.00 O ATOM 358 CB LYS A 24 37.549 38.111 62.672 1.00 0.00 C ATOM 359 CG LYS A 24 36.374 37.275 63.212 1.00 0.00 C ATOM 360 CD LYS A 24 35.966 36.034 62.398 1.00 0.00 C ATOM 361 CE LYS A 24 34.622 35.544 62.936 1.00 0.00 C ATOM 362 NZ LYS A 24 33.966 34.471 62.085 1.00 0.00 N ATOM 0 H LYS A 24 39.327 37.280 64.498 1.00 0.00 H new ATOM 0 HA LYS A 24 38.802 36.714 61.662 1.00 0.00 H new ATOM 0 HB2 LYS A 24 37.694 38.948 63.355 1.00 0.00 H new ATOM 0 HB3 LYS A 24 37.238 38.530 61.715 1.00 0.00 H new ATOM 0 HG2 LYS A 24 36.625 36.950 64.222 1.00 0.00 H new ATOM 0 HG3 LYS A 24 35.504 37.927 63.294 1.00 0.00 H new ATOM 0 HD2 LYS A 24 35.887 36.281 61.339 1.00 0.00 H new ATOM 0 HD3 LYS A 24 36.721 35.253 62.488 1.00 0.00 H new ATOM 0 HE2 LYS A 24 34.767 35.155 63.944 1.00 0.00 H new ATOM 0 HE3 LYS A 24 33.944 36.393 63.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.080 34.839 61.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 34.608 34.199 61.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 33.760 33.639 62.674 1.00 0.00 H new ATOM 376 N ASN A 25 40.458 38.559 60.831 1.00 0.00 N ATOM 377 CA ASN A 25 41.394 39.545 60.266 1.00 0.00 C ATOM 378 C ASN A 25 40.554 40.127 59.071 1.00 0.00 C ATOM 379 O ASN A 25 40.361 39.465 58.053 1.00 0.00 O ATOM 380 CB ASN A 25 42.720 38.913 59.887 1.00 0.00 C ATOM 381 CG ASN A 25 43.717 39.928 59.378 1.00 0.00 C ATOM 382 OD1 ASN A 25 44.765 40.202 59.927 1.00 0.00 O ATOM 383 ND2 ASN A 25 43.334 40.536 58.245 1.00 0.00 N ATOM 0 H ASN A 25 40.201 37.832 60.163 1.00 0.00 H new ATOM 0 HA ASN A 25 41.718 40.329 60.951 1.00 0.00 H new ATOM 0 HB2 ASN A 25 43.137 38.402 60.755 1.00 0.00 H new ATOM 0 HB3 ASN A 25 42.553 38.156 59.121 1.00 0.00 H new ATOM 0 HD21 ASN A 25 43.929 41.249 57.823 1.00 0.00 H new ATOM 0 HD22 ASN A 25 42.448 40.285 57.806 1.00 0.00 H new ATOM 390 N ILE A 26 40.074 41.431 59.223 1.00 0.00 N ATOM 391 CA ILE A 26 38.875 41.906 58.472 1.00 0.00 C ATOM 392 C ILE A 26 39.035 43.179 57.579 1.00 0.00 C ATOM 393 O ILE A 26 38.324 43.331 56.589 1.00 0.00 O ATOM 394 CB ILE A 26 37.704 42.095 59.471 1.00 0.00 C ATOM 395 CG1 ILE A 26 37.620 43.401 60.305 1.00 0.00 C ATOM 396 CG2 ILE A 26 37.574 40.879 60.419 1.00 0.00 C ATOM 397 CD1 ILE A 26 38.766 43.740 61.273 1.00 0.00 C ATOM 0 H ILE A 26 40.494 42.128 59.837 1.00 0.00 H new ATOM 0 HA ILE A 26 38.684 41.121 57.740 1.00 0.00 H new ATOM 0 HB ILE A 26 36.864 42.185 58.782 1.00 0.00 H new ATOM 0 HG12 ILE A 26 37.522 44.232 59.607 1.00 0.00 H new ATOM 0 HG13 ILE A 26 36.699 43.362 60.886 1.00 0.00 H new ATOM 0 HG21 ILE A 26 36.745 41.041 61.107 1.00 0.00 H new ATOM 0 HG22 ILE A 26 37.388 39.979 59.833 1.00 0.00 H new ATOM 0 HG23 ILE A 26 38.497 40.759 60.986 1.00 0.00 H new ATOM 0 HD11 ILE A 26 38.551 44.683 61.776 1.00 0.00 H new ATOM 0 HD12 ILE A 26 38.862 42.947 62.015 1.00 0.00 H new ATOM 0 HD13 ILE A 26 39.698 43.831 60.716 1.00 0.00 H new ATOM 409 N TRP A 27 39.945 44.117 58.010 1.00 0.00 N ATOM 410 CA TRP A 27 40.510 45.299 57.346 1.00 0.00 C ATOM 411 C TRP A 27 41.191 44.786 55.997 1.00 0.00 C ATOM 412 O TRP A 27 40.522 44.470 55.018 1.00 0.00 O ATOM 413 CB TRP A 27 41.534 45.988 58.345 1.00 0.00 C ATOM 414 CG TRP A 27 42.116 45.017 59.348 1.00 0.00 C ATOM 415 CD1 TRP A 27 42.408 43.650 59.083 1.00 0.00 C ATOM 416 CD2 TRP A 27 42.227 45.122 60.736 1.00 0.00 C ATOM 417 NE1 TRP A 27 42.553 42.915 60.219 1.00 0.00 N ATOM 418 CE2 TRP A 27 42.456 43.842 61.244 1.00 0.00 C ATOM 419 CE3 TRP A 27 41.988 46.163 61.672 1.00 0.00 C ATOM 420 CZ2 TRP A 27 42.434 43.509 62.558 1.00 0.00 C ATOM 421 CZ3 TRP A 27 41.996 45.867 63.028 1.00 0.00 C ATOM 422 CH2 TRP A 27 42.217 44.547 63.472 1.00 0.00 C ATOM 0 H TRP A 27 40.333 44.031 58.949 1.00 0.00 H new ATOM 0 HA TRP A 27 39.764 46.051 57.090 1.00 0.00 H new ATOM 0 HB2 TRP A 27 42.343 46.442 57.773 1.00 0.00 H new ATOM 0 HB3 TRP A 27 41.029 46.794 58.877 1.00 0.00 H new ATOM 0 HD1 TRP A 27 42.504 43.240 58.088 1.00 0.00 H new ATOM 0 HE1 TRP A 27 42.700 41.909 60.298 1.00 0.00 H new ATOM 0 HE3 TRP A 27 41.802 47.172 61.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 42.577 42.490 62.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 41.832 46.654 63.749 1.00 0.00 H new ATOM 0 HH2 TRP A 27 42.219 44.334 64.531 1.00 0.00 H new ATOM 433 N THR A 28 42.582 44.735 55.957 1.00 0.00 N ATOM 434 CA THR A 28 43.370 44.241 54.825 1.00 0.00 C ATOM 435 C THR A 28 43.349 45.220 53.589 1.00 0.00 C ATOM 436 O THR A 28 42.458 46.040 53.389 1.00 0.00 O ATOM 437 CB THR A 28 43.064 42.803 54.319 1.00 0.00 C ATOM 438 OG1 THR A 28 44.085 42.357 53.431 1.00 0.00 O ATOM 439 CG2 THR A 28 42.826 41.710 55.366 1.00 0.00 C ATOM 0 H THR A 28 43.161 45.048 56.736 1.00 0.00 H new ATOM 0 HA THR A 28 44.363 44.197 55.272 1.00 0.00 H new ATOM 0 HB THR A 28 42.099 42.932 53.828 1.00 0.00 H new ATOM 0 HG1 THR A 28 43.677 42.023 52.605 1.00 0.00 H new ATOM 0 HG21 THR A 28 42.625 40.763 54.864 1.00 0.00 H new ATOM 0 HG22 THR A 28 43.712 41.608 55.993 1.00 0.00 H new ATOM 0 HG23 THR A 28 41.972 41.980 55.986 1.00 0.00 H new ATOM 447 N PHE A 29 44.406 45.053 52.708 1.00 0.00 N ATOM 448 CA PHE A 29 44.521 45.791 51.455 1.00 0.00 C ATOM 449 C PHE A 29 43.404 45.384 50.450 1.00 0.00 C ATOM 450 O PHE A 29 42.941 46.226 49.681 1.00 0.00 O ATOM 451 CB PHE A 29 45.883 45.528 50.784 1.00 0.00 C ATOM 452 CG PHE A 29 47.061 45.864 51.685 1.00 0.00 C ATOM 453 CD1 PHE A 29 47.145 47.089 52.356 1.00 0.00 C ATOM 454 CD2 PHE A 29 48.104 44.949 51.863 1.00 0.00 C ATOM 455 CE1 PHE A 29 48.225 47.394 53.183 1.00 0.00 C ATOM 456 CE2 PHE A 29 49.198 45.243 52.678 1.00 0.00 C ATOM 457 CZ PHE A 29 49.264 46.472 53.344 1.00 0.00 C ATOM 0 H PHE A 29 45.175 44.404 52.874 1.00 0.00 H new ATOM 0 HA PHE A 29 44.422 46.847 51.705 1.00 0.00 H new ATOM 0 HB2 PHE A 29 45.942 44.479 50.493 1.00 0.00 H new ATOM 0 HB3 PHE A 29 45.952 46.117 49.870 1.00 0.00 H new ATOM 0 HD1 PHE A 29 46.355 47.815 52.230 1.00 0.00 H new ATOM 0 HD2 PHE A 29 48.062 43.995 51.359 1.00 0.00 H new ATOM 0 HE1 PHE A 29 48.259 48.342 53.699 1.00 0.00 H new ATOM 0 HE2 PHE A 29 49.994 44.522 52.795 1.00 0.00 H new ATOM 0 HZ PHE A 29 50.108 46.706 53.976 1.00 0.00 H new ATOM 467 N ASP A 30 42.999 44.067 50.442 1.00 0.00 N ATOM 468 CA ASP A 30 42.000 43.479 49.564 1.00 0.00 C ATOM 469 C ASP A 30 40.526 43.626 50.119 1.00 0.00 C ATOM 470 O ASP A 30 39.619 43.071 49.500 1.00 0.00 O ATOM 471 CB ASP A 30 42.427 42.064 49.104 1.00 0.00 C ATOM 472 CG ASP A 30 42.940 41.028 50.141 1.00 0.00 C ATOM 473 OD1 ASP A 30 42.970 41.372 51.322 1.00 0.00 O ATOM 474 OD2 ASP A 30 43.304 39.945 49.670 1.00 0.00 O ATOM 0 H ASP A 30 43.396 43.383 51.086 1.00 0.00 H new ATOM 0 HA ASP A 30 41.957 44.062 48.644 1.00 0.00 H new ATOM 0 HB2 ASP A 30 41.572 41.617 48.596 1.00 0.00 H new ATOM 0 HB3 ASP A 30 43.211 42.190 48.357 1.00 0.00 H new ATOM 479 N ASN A 31 40.242 44.428 51.229 1.00 0.00 N ATOM 480 CA ASN A 31 38.892 44.739 51.723 1.00 0.00 C ATOM 481 C ASN A 31 38.222 43.369 52.036 1.00 0.00 C ATOM 482 O ASN A 31 37.219 43.027 51.407 1.00 0.00 O ATOM 483 CB ASN A 31 38.081 45.618 50.754 1.00 0.00 C ATOM 484 CG ASN A 31 36.937 46.317 51.482 1.00 0.00 C ATOM 485 OD1 ASN A 31 37.118 47.250 52.243 1.00 0.00 O ATOM 486 ND2 ASN A 31 35.702 45.841 51.209 1.00 0.00 N ATOM 0 H ASN A 31 40.977 44.864 51.787 1.00 0.00 H new ATOM 0 HA ASN A 31 38.938 45.352 52.623 1.00 0.00 H new ATOM 0 HB2 ASN A 31 38.734 46.361 50.297 1.00 0.00 H new ATOM 0 HB3 ASN A 31 37.682 45.004 49.946 1.00 0.00 H new ATOM 0 HD21 ASN A 31 34.884 46.265 51.646 1.00 0.00 H new ATOM 0 HD22 ASN A 31 35.588 45.057 50.566 1.00 0.00 H new ATOM 493 N ILE A 32 38.758 42.592 53.065 1.00 0.00 N ATOM 494 CA ILE A 32 38.284 41.215 53.122 1.00 0.00 C ATOM 495 C ILE A 32 38.549 40.493 54.472 1.00 0.00 C ATOM 496 O ILE A 32 39.460 40.817 55.231 1.00 0.00 O ATOM 497 CB ILE A 32 38.935 40.350 51.999 1.00 0.00 C ATOM 498 CG1 ILE A 32 38.136 39.132 51.491 1.00 0.00 C ATOM 499 CG2 ILE A 32 40.360 39.906 52.390 1.00 0.00 C ATOM 500 CD1 ILE A 32 36.676 39.419 51.104 1.00 0.00 C ATOM 0 H ILE A 32 39.436 42.884 53.769 1.00 0.00 H new ATOM 0 HA ILE A 32 37.205 41.303 52.992 1.00 0.00 H new ATOM 0 HB ILE A 32 38.950 41.037 51.153 1.00 0.00 H new ATOM 0 HG12 ILE A 32 38.650 38.717 50.624 1.00 0.00 H new ATOM 0 HG13 ILE A 32 38.145 38.364 52.264 1.00 0.00 H new ATOM 0 HG21 ILE A 32 40.787 39.305 51.587 1.00 0.00 H new ATOM 0 HG22 ILE A 32 40.983 40.785 52.555 1.00 0.00 H new ATOM 0 HG23 ILE A 32 40.319 39.314 53.304 1.00 0.00 H new ATOM 0 HD11 ILE A 32 36.203 38.499 50.760 1.00 0.00 H new ATOM 0 HD12 ILE A 32 36.138 39.801 51.971 1.00 0.00 H new ATOM 0 HD13 ILE A 32 36.650 40.160 50.305 1.00 0.00 H new ATOM 512 N ILE A 33 37.716 39.411 54.707 1.00 0.00 N ATOM 513 CA ILE A 33 37.787 38.638 55.956 1.00 0.00 C ATOM 514 C ILE A 33 38.533 37.322 55.565 1.00 0.00 C ATOM 515 O ILE A 33 37.952 36.307 55.182 1.00 0.00 O ATOM 516 CB ILE A 33 36.466 38.432 56.701 1.00 0.00 C ATOM 517 CG1 ILE A 33 35.724 39.732 57.121 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.733 37.605 57.976 1.00 0.00 C ATOM 519 CD1 ILE A 33 35.334 40.766 56.047 1.00 0.00 C ATOM 0 H ILE A 33 37.011 39.081 54.047 1.00 0.00 H new ATOM 0 HA ILE A 33 38.327 39.199 56.718 1.00 0.00 H new ATOM 0 HB ILE A 33 35.814 37.925 55.990 1.00 0.00 H new ATOM 0 HG12 ILE A 33 34.810 39.434 57.635 1.00 0.00 H new ATOM 0 HG13 ILE A 33 36.349 40.242 57.853 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.797 37.453 58.514 1.00 0.00 H new ATOM 0 HG22 ILE A 33 37.155 36.638 57.701 1.00 0.00 H new ATOM 0 HG23 ILE A 33 37.436 38.139 58.615 1.00 0.00 H new ATOM 0 HD11 ILE A 33 34.826 41.607 56.519 1.00 0.00 H new ATOM 0 HD12 ILE A 33 36.232 41.122 55.542 1.00 0.00 H new ATOM 0 HD13 ILE A 33 34.668 40.302 55.320 1.00 0.00 H new ATOM 531 N ARG A 34 39.909 37.393 55.678 1.00 0.00 N ATOM 532 CA ARG A 34 40.842 36.320 55.282 1.00 0.00 C ATOM 533 C ARG A 34 41.710 36.092 56.564 1.00 0.00 C ATOM 534 O ARG A 34 42.545 36.906 56.950 1.00 0.00 O ATOM 535 CB ARG A 34 41.632 36.717 54.027 1.00 0.00 C ATOM 536 CG ARG A 34 42.748 35.775 53.538 1.00 0.00 C ATOM 537 CD ARG A 34 43.187 36.127 52.097 1.00 0.00 C ATOM 538 NE ARG A 34 43.732 37.487 51.833 1.00 0.00 N ATOM 539 CZ ARG A 34 44.578 38.164 52.588 1.00 0.00 C ATOM 540 NH1 ARG A 34 45.389 37.567 53.418 1.00 0.00 N ATOM 541 NH2 ARG A 34 44.587 39.462 52.497 1.00 0.00 N ATOM 0 H ARG A 34 40.384 38.214 56.053 1.00 0.00 H new ATOM 0 HA ARG A 34 40.358 35.390 54.983 1.00 0.00 H new ATOM 0 HB2 ARG A 34 40.920 36.840 53.211 1.00 0.00 H new ATOM 0 HB3 ARG A 34 42.079 37.694 54.211 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.605 35.843 54.209 1.00 0.00 H new ATOM 0 HG3 ARG A 34 42.398 34.743 53.572 1.00 0.00 H new ATOM 0 HD2 ARG A 34 43.943 35.402 51.794 1.00 0.00 H new ATOM 0 HD3 ARG A 34 42.327 35.982 51.444 1.00 0.00 H new ATOM 0 HE ARG A 34 43.418 37.945 50.977 1.00 0.00 H new ATOM 0 HH11 ARG A 34 45.381 36.550 53.497 1.00 0.00 H new ATOM 0 HH12 ARG A 34 46.031 38.117 53.988 1.00 0.00 H new ATOM 0 HH21 ARG A 34 43.950 39.933 51.854 1.00 0.00 H new ATOM 0 HH22 ARG A 34 45.231 40.009 53.069 1.00 0.00 H new ATOM 555 N ARG A 35 41.463 34.903 57.253 1.00 0.00 N ATOM 556 CA ARG A 35 41.814 34.782 58.670 1.00 0.00 C ATOM 557 C ARG A 35 42.141 33.326 59.132 1.00 0.00 C ATOM 558 O ARG A 35 42.564 32.511 58.317 1.00 0.00 O ATOM 559 CB ARG A 35 40.724 35.539 59.469 1.00 0.00 C ATOM 560 CG ARG A 35 39.229 35.236 59.198 1.00 0.00 C ATOM 561 CD ARG A 35 38.608 33.914 59.692 1.00 0.00 C ATOM 562 NE ARG A 35 37.325 33.518 59.033 1.00 0.00 N ATOM 563 CZ ARG A 35 37.002 33.720 57.763 1.00 0.00 C ATOM 564 NH1 ARG A 35 37.887 33.610 56.811 1.00 0.00 N ATOM 565 NH2 ARG A 35 35.779 34.055 57.469 1.00 0.00 N ATOM 0 H ARG A 35 41.040 34.071 56.841 1.00 0.00 H new ATOM 0 HA ARG A 35 42.775 35.254 58.874 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.908 35.354 60.527 1.00 0.00 H new ATOM 0 HB3 ARG A 35 40.877 36.605 59.300 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.649 36.049 59.634 1.00 0.00 H new ATOM 0 HG3 ARG A 35 39.080 35.281 58.119 1.00 0.00 H new ATOM 0 HD2 ARG A 35 39.334 33.114 59.544 1.00 0.00 H new ATOM 0 HD3 ARG A 35 38.435 33.993 60.765 1.00 0.00 H new ATOM 0 HE ARG A 35 36.633 33.048 59.616 1.00 0.00 H new ATOM 0 HH11 ARG A 35 38.851 33.364 57.037 1.00 0.00 H new ATOM 0 HH12 ARG A 35 37.615 33.770 55.841 1.00 0.00 H new ATOM 0 HH21 ARG A 35 35.086 34.158 58.210 1.00 0.00 H new ATOM 0 HH22 ARG A 35 35.513 34.214 56.497 1.00 0.00 H new ATOM 579 N GLY A 36 42.057 33.038 60.493 1.00 0.00 N ATOM 580 CA GLY A 36 42.486 31.676 60.864 1.00 0.00 C ATOM 581 C GLY A 36 42.673 31.351 62.362 1.00 0.00 C ATOM 582 O GLY A 36 42.209 32.078 63.231 1.00 0.00 O ATOM 0 H GLY A 36 41.738 33.655 61.240 1.00 0.00 H new ATOM 0 HA2 GLY A 36 41.755 30.975 60.460 1.00 0.00 H new ATOM 0 HA3 GLY A 36 43.431 31.476 60.360 1.00 0.00 H new ATOM 586 N CYS A 37 43.354 30.170 62.636 1.00 0.00 N ATOM 587 CA CYS A 37 43.661 29.745 64.013 1.00 0.00 C ATOM 588 C CYS A 37 45.021 30.364 64.472 1.00 0.00 C ATOM 589 O CYS A 37 46.045 30.250 63.798 1.00 0.00 O ATOM 590 CB CYS A 37 43.727 28.201 64.196 1.00 0.00 C ATOM 591 SG CYS A 37 45.026 27.424 63.179 1.00 0.00 S ATOM 0 H CYS A 37 43.683 29.526 61.917 1.00 0.00 H new ATOM 0 HA CYS A 37 42.835 30.106 64.627 1.00 0.00 H new ATOM 0 HB2 CYS A 37 43.908 27.972 65.246 1.00 0.00 H new ATOM 0 HB3 CYS A 37 42.761 27.767 63.937 1.00 0.00 H new ATOM 596 N GLY A 38 45.024 31.090 65.664 1.00 0.00 N ATOM 597 CA GLY A 38 46.319 31.584 66.129 1.00 0.00 C ATOM 598 C GLY A 38 46.085 32.052 67.574 1.00 0.00 C ATOM 599 O GLY A 38 46.228 31.329 68.555 1.00 0.00 O ATOM 0 H GLY A 38 44.213 31.310 66.243 1.00 0.00 H new ATOM 0 HA2 GLY A 38 47.076 30.801 66.088 1.00 0.00 H new ATOM 0 HA3 GLY A 38 46.674 32.403 65.504 1.00 0.00 H new ATOM 603 N CYS A 39 45.660 33.365 67.662 1.00 0.00 N ATOM 604 CA CYS A 39 45.238 33.954 68.918 1.00 0.00 C ATOM 605 C CYS A 39 46.333 34.089 70.010 1.00 0.00 C ATOM 606 O CYS A 39 47.537 34.063 69.775 1.00 0.00 O ATOM 607 CB CYS A 39 44.673 35.350 68.600 1.00 0.00 C ATOM 608 SG CYS A 39 44.108 36.300 70.042 1.00 0.00 S ATOM 0 H CYS A 39 45.614 34.000 66.865 1.00 0.00 H new ATOM 0 HA CYS A 39 44.506 33.270 69.348 1.00 0.00 H new ATOM 0 HB2 CYS A 39 45.440 35.926 68.083 1.00 0.00 H new ATOM 0 HB3 CYS A 39 43.838 35.238 67.908 1.00 0.00 H new ATOM 613 N PHE A 40 45.794 34.313 71.260 1.00 0.00 N ATOM 614 CA PHE A 40 46.559 34.535 72.477 1.00 0.00 C ATOM 615 C PHE A 40 47.457 35.810 72.300 1.00 0.00 C ATOM 616 O PHE A 40 48.574 35.859 72.808 1.00 0.00 O ATOM 617 CB PHE A 40 47.269 33.281 73.032 1.00 0.00 C ATOM 618 CG PHE A 40 46.309 32.102 73.043 1.00 0.00 C ATOM 619 CD1 PHE A 40 45.246 32.032 73.951 1.00 0.00 C ATOM 620 CD2 PHE A 40 46.392 31.104 72.062 1.00 0.00 C ATOM 621 CE1 PHE A 40 44.299 31.014 73.881 1.00 0.00 C ATOM 622 CE2 PHE A 40 45.455 30.077 71.980 1.00 0.00 C ATOM 623 CZ PHE A 40 44.413 30.021 72.909 1.00 0.00 C ATOM 0 H PHE A 40 44.787 34.339 71.419 1.00 0.00 H new ATOM 0 HA PHE A 40 45.863 34.745 73.289 1.00 0.00 H new ATOM 0 HB2 PHE A 40 48.140 33.046 72.420 1.00 0.00 H new ATOM 0 HB3 PHE A 40 47.631 33.475 74.042 1.00 0.00 H new ATOM 0 HD1 PHE A 40 45.159 32.783 74.722 1.00 0.00 H new ATOM 0 HD2 PHE A 40 47.204 31.132 71.351 1.00 0.00 H new ATOM 0 HE1 PHE A 40 43.476 30.993 74.580 1.00 0.00 H new ATOM 0 HE2 PHE A 40 45.533 29.330 71.204 1.00 0.00 H new ATOM 0 HZ PHE A 40 43.699 29.212 72.874 1.00 0.00 H new ATOM 633 N THR A 41 46.887 36.900 71.654 1.00 0.00 N ATOM 634 CA THR A 41 47.532 38.221 71.523 1.00 0.00 C ATOM 635 C THR A 41 46.567 39.162 72.334 1.00 0.00 C ATOM 636 O THR A 41 45.520 39.569 71.828 1.00 0.00 O ATOM 637 CB THR A 41 47.817 38.779 70.108 1.00 0.00 C ATOM 638 OG1 THR A 41 48.475 40.046 70.158 1.00 0.00 O ATOM 639 CG2 THR A 41 48.536 37.815 69.155 1.00 0.00 C ATOM 0 H THR A 41 45.966 36.859 71.218 1.00 0.00 H new ATOM 0 HA THR A 41 48.556 38.146 71.889 1.00 0.00 H new ATOM 0 HB THR A 41 46.827 38.914 69.672 1.00 0.00 H new ATOM 0 HG1 THR A 41 48.640 40.365 69.246 1.00 0.00 H new ATOM 0 HG21 THR A 41 48.688 38.302 68.192 1.00 0.00 H new ATOM 0 HG22 THR A 41 49.502 37.538 69.578 1.00 0.00 H new ATOM 0 HG23 THR A 41 47.930 36.920 69.018 1.00 0.00 H new ATOM 647 N PRO A 42 46.943 39.538 73.629 1.00 0.00 N ATOM 648 CA PRO A 42 46.102 40.410 74.481 1.00 0.00 C ATOM 649 C PRO A 42 46.360 41.868 73.971 1.00 0.00 C ATOM 650 O PRO A 42 47.169 42.624 74.501 1.00 0.00 O ATOM 651 CB PRO A 42 46.551 40.125 75.930 1.00 0.00 C ATOM 652 CG PRO A 42 47.993 39.626 75.759 1.00 0.00 C ATOM 653 CD PRO A 42 47.899 38.811 74.468 1.00 0.00 C ATOM 0 HA PRO A 42 45.025 40.244 74.441 1.00 0.00 H new ATOM 0 HB2 PRO A 42 46.506 41.021 76.549 1.00 0.00 H new ATOM 0 HB3 PRO A 42 45.920 39.376 76.407 1.00 0.00 H new ATOM 0 HG2 PRO A 42 48.702 40.450 75.670 1.00 0.00 H new ATOM 0 HG3 PRO A 42 48.316 39.017 76.603 1.00 0.00 H new ATOM 0 HD2 PRO A 42 48.871 38.731 73.980 1.00 0.00 H new ATOM 0 HD3 PRO A 42 47.557 37.795 74.667 1.00 0.00 H new ATOM 661 N ARG A 43 45.570 42.263 72.902 1.00 0.00 N ATOM 662 CA ARG A 43 45.696 43.576 72.257 1.00 0.00 C ATOM 663 C ARG A 43 44.729 44.645 72.872 1.00 0.00 C ATOM 664 O ARG A 43 43.601 44.349 73.261 1.00 0.00 O ATOM 665 CB ARG A 43 45.383 43.424 70.744 1.00 0.00 C ATOM 666 CG ARG A 43 43.920 43.090 70.361 1.00 0.00 C ATOM 667 CD ARG A 43 43.750 42.769 68.863 1.00 0.00 C ATOM 668 NE ARG A 43 44.019 43.842 67.869 1.00 0.00 N ATOM 669 CZ ARG A 43 43.413 45.012 67.734 1.00 0.00 C ATOM 670 NH1 ARG A 43 42.358 45.339 68.431 1.00 0.00 N ATOM 671 NH2 ARG A 43 43.883 45.860 66.857 1.00 0.00 N ATOM 0 H ARG A 43 44.849 41.671 72.491 1.00 0.00 H new ATOM 0 HA ARG A 43 46.716 43.926 72.418 1.00 0.00 H new ATOM 0 HB2 ARG A 43 45.661 44.353 70.245 1.00 0.00 H new ATOM 0 HB3 ARG A 43 46.026 42.641 70.342 1.00 0.00 H new ATOM 0 HG2 ARG A 43 43.581 42.238 70.951 1.00 0.00 H new ATOM 0 HG3 ARG A 43 43.280 43.933 70.622 1.00 0.00 H new ATOM 0 HD2 ARG A 43 44.404 41.929 68.628 1.00 0.00 H new ATOM 0 HD3 ARG A 43 42.726 42.427 68.712 1.00 0.00 H new ATOM 0 HE ARG A 43 44.769 43.652 67.204 1.00 0.00 H new ATOM 0 HH11 ARG A 43 41.971 44.683 69.109 1.00 0.00 H new ATOM 0 HH12 ARG A 43 41.921 46.251 68.297 1.00 0.00 H new ATOM 0 HH21 ARG A 43 44.698 45.614 66.296 1.00 0.00 H new ATOM 0 HH22 ARG A 43 43.434 46.768 66.734 1.00 0.00 H new ATOM 685 N GLY A 44 45.201 45.954 72.915 1.00 0.00 N ATOM 686 CA GLY A 44 44.320 47.078 73.293 1.00 0.00 C ATOM 687 C GLY A 44 43.666 47.467 71.950 1.00 0.00 C ATOM 688 O GLY A 44 42.585 47.000 71.600 1.00 0.00 O ATOM 0 H GLY A 44 46.160 46.223 72.695 1.00 0.00 H new ATOM 0 HA2 GLY A 44 43.577 46.779 74.033 1.00 0.00 H new ATOM 0 HA3 GLY A 44 44.883 47.906 73.724 1.00 0.00 H new ATOM 692 N ASP A 45 44.412 48.337 71.162 1.00 0.00 N ATOM 693 CA ASP A 45 44.126 48.393 69.728 1.00 0.00 C ATOM 694 C ASP A 45 45.551 48.543 69.105 1.00 0.00 C ATOM 695 O ASP A 45 45.946 49.564 68.551 1.00 0.00 O ATOM 696 CB ASP A 45 43.023 49.346 69.179 1.00 0.00 C ATOM 697 CG ASP A 45 42.384 48.555 67.999 1.00 0.00 C ATOM 698 OD1 ASP A 45 43.088 48.474 66.987 1.00 0.00 O ATOM 699 OD2 ASP A 45 41.335 47.955 68.246 1.00 0.00 O ATOM 0 H ASP A 45 45.154 48.952 71.494 1.00 0.00 H new ATOM 0 HA ASP A 45 43.590 47.495 69.421 1.00 0.00 H new ATOM 0 HB2 ASP A 45 42.285 49.583 69.945 1.00 0.00 H new ATOM 0 HB3 ASP A 45 43.447 50.292 68.841 1.00 0.00 H new ATOM 704 N MET A 46 46.341 47.415 69.268 1.00 0.00 N ATOM 705 CA MET A 46 47.729 47.272 68.796 1.00 0.00 C ATOM 706 C MET A 46 47.840 46.198 67.645 1.00 0.00 C ATOM 707 O MET A 46 46.849 45.559 67.295 1.00 0.00 O ATOM 708 CB MET A 46 48.663 46.921 69.988 1.00 0.00 C ATOM 709 CG MET A 46 48.544 45.451 70.436 1.00 0.00 C ATOM 710 SD MET A 46 49.654 44.916 71.802 1.00 0.00 S ATOM 711 CE MET A 46 50.924 44.067 70.834 1.00 0.00 C ATOM 0 H MET A 46 46.000 46.579 69.743 1.00 0.00 H new ATOM 0 HA MET A 46 48.048 48.225 68.374 1.00 0.00 H new ATOM 0 HB2 MET A 46 49.696 47.126 69.706 1.00 0.00 H new ATOM 0 HB3 MET A 46 48.428 47.572 70.830 1.00 0.00 H new ATOM 0 HG2 MET A 46 47.514 45.270 70.743 1.00 0.00 H new ATOM 0 HG3 MET A 46 48.735 44.815 69.572 1.00 0.00 H new ATOM 0 HE1 MET A 46 51.689 43.673 71.503 1.00 0.00 H new ATOM 0 HE2 MET A 46 50.470 43.246 70.278 1.00 0.00 H new ATOM 0 HE3 MET A 46 51.380 44.769 70.136 1.00 0.00 H new ATOM 721 N PRO A 47 49.093 45.985 67.074 1.00 0.00 N ATOM 722 CA PRO A 47 49.231 45.038 65.950 1.00 0.00 C ATOM 723 C PRO A 47 48.750 43.586 66.300 1.00 0.00 C ATOM 724 O PRO A 47 49.055 43.015 67.345 1.00 0.00 O ATOM 725 CB PRO A 47 50.726 45.079 65.599 1.00 0.00 C ATOM 726 CG PRO A 47 51.035 46.566 65.833 1.00 0.00 C ATOM 727 CD PRO A 47 50.288 46.830 67.145 1.00 0.00 C ATOM 0 HA PRO A 47 48.595 45.323 65.112 1.00 0.00 H new ATOM 0 HB2 PRO A 47 51.319 44.428 66.241 1.00 0.00 H new ATOM 0 HB3 PRO A 47 50.918 44.774 64.570 1.00 0.00 H new ATOM 0 HG2 PRO A 47 52.105 46.753 65.925 1.00 0.00 H new ATOM 0 HG3 PRO A 47 50.670 47.194 65.020 1.00 0.00 H new ATOM 0 HD2 PRO A 47 50.902 46.574 68.008 1.00 0.00 H new ATOM 0 HD3 PRO A 47 50.023 47.883 67.244 1.00 0.00 H new ATOM 735 N GLY A 48 47.995 42.960 65.314 1.00 0.00 N ATOM 736 CA GLY A 48 47.415 41.612 65.453 1.00 0.00 C ATOM 737 C GLY A 48 45.877 41.620 65.213 1.00 0.00 C ATOM 738 O GLY A 48 45.185 42.591 65.519 1.00 0.00 O ATOM 0 H GLY A 48 47.789 43.397 64.416 1.00 0.00 H new ATOM 0 HA2 GLY A 48 47.891 40.936 64.743 1.00 0.00 H new ATOM 0 HA3 GLY A 48 47.626 41.226 66.450 1.00 0.00 H new ATOM 742 N PRO A 49 45.330 40.423 64.776 1.00 0.00 N ATOM 743 CA PRO A 49 43.882 40.283 64.596 1.00 0.00 C ATOM 744 C PRO A 49 43.054 40.335 65.891 1.00 0.00 C ATOM 745 O PRO A 49 43.570 40.142 66.991 1.00 0.00 O ATOM 746 CB PRO A 49 43.708 38.862 64.051 1.00 0.00 C ATOM 747 CG PRO A 49 44.920 38.784 63.135 1.00 0.00 C ATOM 748 CD PRO A 49 46.023 39.410 63.978 1.00 0.00 C ATOM 0 HA PRO A 49 43.536 41.105 63.969 1.00 0.00 H new ATOM 0 HB2 PRO A 49 43.730 38.108 64.838 1.00 0.00 H new ATOM 0 HB3 PRO A 49 42.769 38.734 63.513 1.00 0.00 H new ATOM 0 HG2 PRO A 49 45.155 37.755 62.862 1.00 0.00 H new ATOM 0 HG3 PRO A 49 44.761 39.332 62.206 1.00 0.00 H new ATOM 0 HD2 PRO A 49 46.511 38.669 64.611 1.00 0.00 H new ATOM 0 HD3 PRO A 49 46.798 39.855 63.354 1.00 0.00 H new ATOM 756 N TYR A 50 41.702 40.568 65.704 1.00 0.00 N ATOM 757 CA TYR A 50 40.813 40.560 66.878 1.00 0.00 C ATOM 758 C TYR A 50 40.310 39.087 67.052 1.00 0.00 C ATOM 759 O TYR A 50 39.923 38.401 66.106 1.00 0.00 O ATOM 760 CB TYR A 50 39.649 41.612 66.982 1.00 0.00 C ATOM 761 CG TYR A 50 38.471 41.369 66.070 1.00 0.00 C ATOM 762 CD1 TYR A 50 37.520 40.394 66.370 1.00 0.00 C ATOM 763 CD2 TYR A 50 38.257 42.151 64.938 1.00 0.00 C ATOM 764 CE1 TYR A 50 36.421 40.171 65.557 1.00 0.00 C ATOM 765 CE2 TYR A 50 37.154 41.956 64.119 1.00 0.00 C ATOM 766 CZ TYR A 50 36.222 40.958 64.419 1.00 0.00 C ATOM 767 OH TYR A 50 35.137 40.726 63.602 1.00 0.00 O ATOM 0 H TYR A 50 41.251 40.749 64.807 1.00 0.00 H new ATOM 0 HA TYR A 50 41.425 40.916 67.707 1.00 0.00 H new ATOM 0 HB2 TYR A 50 39.291 41.632 68.011 1.00 0.00 H new ATOM 0 HB3 TYR A 50 40.055 42.600 66.767 1.00 0.00 H new ATOM 0 HD1 TYR A 50 37.644 39.796 67.261 1.00 0.00 H new ATOM 0 HD2 TYR A 50 38.966 42.927 64.692 1.00 0.00 H new ATOM 0 HE1 TYR A 50 35.718 39.389 65.802 1.00 0.00 H new ATOM 0 HE2 TYR A 50 37.015 42.577 63.247 1.00 0.00 H new ATOM 0 HH TYR A 50 35.147 41.362 62.856 1.00 0.00 H new ATOM 777 N CYS A 51 40.308 38.603 68.354 1.00 0.00 N ATOM 778 CA CYS A 51 40.195 37.156 68.601 1.00 0.00 C ATOM 779 C CYS A 51 38.903 36.707 69.344 1.00 0.00 C ATOM 780 O CYS A 51 38.200 37.497 69.969 1.00 0.00 O ATOM 781 CB CYS A 51 41.410 36.747 69.448 1.00 0.00 C ATOM 782 SG CYS A 51 42.953 37.566 68.930 1.00 0.00 S ATOM 0 H CYS A 51 40.381 39.182 69.191 1.00 0.00 H new ATOM 0 HA CYS A 51 40.153 36.671 67.626 1.00 0.00 H new ATOM 0 HB2 CYS A 51 41.213 36.985 70.493 1.00 0.00 H new ATOM 0 HB3 CYS A 51 41.541 35.667 69.386 1.00 0.00 H new ATOM 787 N CYS A 52 38.653 35.352 69.261 1.00 0.00 N ATOM 788 CA CYS A 52 37.443 34.719 69.788 1.00 0.00 C ATOM 789 C CYS A 52 37.789 33.328 70.427 1.00 0.00 C ATOM 790 O CYS A 52 38.805 32.718 70.091 1.00 0.00 O ATOM 791 CB CYS A 52 36.462 34.510 68.634 1.00 0.00 C ATOM 792 SG CYS A 52 34.707 34.289 69.076 1.00 0.00 S ATOM 0 H CYS A 52 39.299 34.694 68.824 1.00 0.00 H new ATOM 0 HA CYS A 52 37.004 35.358 70.554 1.00 0.00 H new ATOM 0 HB2 CYS A 52 36.538 35.366 67.964 1.00 0.00 H new ATOM 0 HB3 CYS A 52 36.783 33.634 68.070 1.00 0.00 H new ATOM 797 N GLU A 53 36.896 32.802 71.342 1.00 0.00 N ATOM 798 CA GLU A 53 37.118 31.477 71.958 1.00 0.00 C ATOM 799 C GLU A 53 35.849 30.616 71.685 1.00 0.00 C ATOM 800 O GLU A 53 35.156 30.181 72.601 1.00 0.00 O ATOM 801 CB GLU A 53 37.606 31.522 73.427 1.00 0.00 C ATOM 802 CG GLU A 53 36.846 32.397 74.445 1.00 0.00 C ATOM 803 CD GLU A 53 37.619 32.403 75.765 1.00 0.00 C ATOM 804 OE1 GLU A 53 38.625 33.060 75.974 1.00 0.00 O ATOM 805 OE2 GLU A 53 37.065 31.593 76.672 1.00 0.00 O ATOM 0 H GLU A 53 36.046 33.275 71.649 1.00 0.00 H new ATOM 0 HA GLU A 53 37.972 30.987 71.490 1.00 0.00 H new ATOM 0 HB2 GLU A 53 37.602 30.500 73.806 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.644 31.855 73.418 1.00 0.00 H new ATOM 0 HG2 GLU A 53 36.741 33.413 74.065 1.00 0.00 H new ATOM 0 HG3 GLU A 53 35.839 32.009 74.599 1.00 0.00 H new ATOM 813 N SER A 54 35.600 30.338 70.349 1.00 0.00 N ATOM 814 CA SER A 54 34.485 29.503 69.911 1.00 0.00 C ATOM 815 C SER A 54 34.725 28.965 68.458 1.00 0.00 C ATOM 816 O SER A 54 35.669 29.355 67.773 1.00 0.00 O ATOM 817 CB SER A 54 33.095 30.214 69.977 1.00 0.00 C ATOM 818 OG SER A 54 32.598 30.404 71.299 1.00 0.00 O ATOM 0 H SER A 54 36.174 30.695 69.585 1.00 0.00 H new ATOM 0 HA SER A 54 34.452 28.675 70.619 1.00 0.00 H new ATOM 0 HB2 SER A 54 33.172 31.185 69.487 1.00 0.00 H new ATOM 0 HB3 SER A 54 32.372 29.627 69.410 1.00 0.00 H new ATOM 0 HG SER A 54 33.336 30.330 71.940 1.00 0.00 H new ATOM 824 N ASP A 55 33.824 28.006 68.029 1.00 0.00 N ATOM 825 CA ASP A 55 33.915 27.374 66.705 1.00 0.00 C ATOM 826 C ASP A 55 33.307 28.425 65.683 1.00 0.00 C ATOM 827 O ASP A 55 32.111 28.706 65.659 1.00 0.00 O ATOM 828 CB ASP A 55 33.177 26.014 66.743 1.00 0.00 C ATOM 829 CG ASP A 55 33.340 25.158 65.468 1.00 0.00 C ATOM 830 OD1 ASP A 55 34.475 25.110 64.982 1.00 0.00 O ATOM 831 OD2 ASP A 55 32.327 24.604 65.034 1.00 0.00 O ATOM 0 H ASP A 55 33.043 27.674 68.595 1.00 0.00 H new ATOM 0 HA ASP A 55 34.933 27.138 66.394 1.00 0.00 H new ATOM 0 HB2 ASP A 55 33.540 25.442 67.597 1.00 0.00 H new ATOM 0 HB3 ASP A 55 32.115 26.196 66.909 1.00 0.00 H new ATOM 836 N LYS A 56 34.212 29.062 64.832 1.00 0.00 N ATOM 837 CA LYS A 56 33.922 30.011 63.757 1.00 0.00 C ATOM 838 C LYS A 56 33.635 31.465 64.237 1.00 0.00 C ATOM 839 O LYS A 56 34.270 32.388 63.724 1.00 0.00 O ATOM 840 CB LYS A 56 32.897 29.584 62.688 1.00 0.00 C ATOM 841 CG LYS A 56 33.343 28.347 61.881 1.00 0.00 C ATOM 842 CD LYS A 56 33.252 27.017 62.654 1.00 0.00 C ATOM 843 CE LYS A 56 33.114 25.756 61.797 1.00 0.00 C ATOM 844 NZ LYS A 56 32.998 24.549 62.738 1.00 0.00 N ATOM 0 H LYS A 56 35.214 28.890 64.915 1.00 0.00 H new ATOM 0 HA LYS A 56 34.882 30.000 63.242 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.944 29.370 63.172 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.727 30.415 62.003 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.730 28.274 60.983 1.00 0.00 H new ATOM 0 HG3 LYS A 56 34.372 28.493 61.554 1.00 0.00 H new ATOM 0 HD2 LYS A 56 34.143 26.917 63.273 1.00 0.00 H new ATOM 0 HD3 LYS A 56 32.399 27.069 63.330 1.00 0.00 H new ATOM 0 HE2 LYS A 56 32.234 25.825 61.157 1.00 0.00 H new ATOM 0 HE3 LYS A 56 33.977 25.645 61.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 32.702 23.713 62.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 33.920 24.365 63.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 32.293 24.750 63.476 1.00 0.00 H new ATOM 858 N CYS A 57 32.633 31.681 65.161 1.00 0.00 N ATOM 859 CA CYS A 57 32.236 33.012 65.643 1.00 0.00 C ATOM 860 C CYS A 57 31.576 33.798 64.433 1.00 0.00 C ATOM 861 O CYS A 57 31.873 34.973 64.233 1.00 0.00 O ATOM 862 CB CYS A 57 33.347 33.808 66.379 1.00 0.00 C ATOM 863 SG CYS A 57 34.120 32.842 67.725 1.00 0.00 S ATOM 0 H CYS A 57 32.093 30.923 65.578 1.00 0.00 H new ATOM 0 HA CYS A 57 31.502 32.879 66.437 1.00 0.00 H new ATOM 0 HB2 CYS A 57 34.113 34.105 65.662 1.00 0.00 H new ATOM 0 HB3 CYS A 57 32.923 34.724 66.790 1.00 0.00 H new ATOM 868 N ASN A 58 30.646 33.132 63.637 1.00 0.00 N ATOM 869 CA ASN A 58 29.935 33.697 62.475 1.00 0.00 C ATOM 870 C ASN A 58 31.013 33.859 61.349 1.00 0.00 C ATOM 871 O ASN A 58 31.550 34.944 61.141 1.00 0.00 O ATOM 872 CB ASN A 58 29.087 34.963 62.714 1.00 0.00 C ATOM 873 CG ASN A 58 27.931 35.029 61.711 1.00 0.00 C ATOM 874 OD1 ASN A 58 27.035 34.203 61.697 1.00 0.00 O ATOM 875 ND2 ASN A 58 27.955 36.072 60.851 1.00 0.00 N ATOM 0 H ASN A 58 30.385 32.163 63.816 1.00 0.00 H new ATOM 0 HA ASN A 58 29.143 33.006 62.188 1.00 0.00 H new ATOM 0 HB2 ASN A 58 28.695 34.959 63.731 1.00 0.00 H new ATOM 0 HB3 ASN A 58 29.712 35.851 62.617 1.00 0.00 H new ATOM 0 HD21 ASN A 58 27.209 36.184 60.165 1.00 0.00 H new ATOM 0 HD22 ASN A 58 28.719 36.746 60.888 1.00 0.00 H new ATOM 882 N LEU A 59 31.353 32.707 60.650 1.00 0.00 N ATOM 883 CA LEU A 59 32.267 32.611 59.486 1.00 0.00 C ATOM 884 C LEU A 59 33.744 33.046 59.909 1.00 0.00 C ATOM 885 O LEU A 59 34.112 34.180 59.571 1.00 0.00 O ATOM 886 CB LEU A 59 31.845 33.422 58.236 1.00 0.00 C ATOM 887 CG LEU A 59 30.562 33.142 57.422 1.00 0.00 C ATOM 888 CD1 LEU A 59 30.592 31.771 56.726 1.00 0.00 C ATOM 889 CD2 LEU A 59 29.289 33.277 58.273 1.00 0.00 C ATOM 890 OXT LEU A 59 34.391 32.239 60.582 1.00 0.00 O ATOM 0 H LEU A 59 30.971 31.798 60.910 1.00 0.00 H new ATOM 0 HA LEU A 59 32.223 31.563 59.191 1.00 0.00 H new ATOM 0 HB2 LEU A 59 31.784 34.463 58.554 1.00 0.00 H new ATOM 0 HB3 LEU A 59 32.674 33.352 57.532 1.00 0.00 H new ATOM 0 HG LEU A 59 30.535 33.909 56.648 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.667 31.626 56.168 1.00 0.00 H new ATOM 0 HD12 LEU A 59 31.439 31.729 56.041 1.00 0.00 H new ATOM 0 HD13 LEU A 59 30.692 30.985 57.475 1.00 0.00 H new ATOM 0 HD21 LEU A 59 28.415 33.071 57.655 1.00 0.00 H new ATOM 0 HD22 LEU A 59 29.326 32.566 59.099 1.00 0.00 H new ATOM 0 HD23 LEU A 59 29.222 34.290 58.669 1.00 0.00 H new TER 902 LEU A 59