USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=15 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 50 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 58 ASN : amide:sc= -0.0202 X(o=-0.02,f=-0.02) USER MOD Set 2.1: A 6 HIS : no HD1:sc= 0.173 K(o=1.5,f=-1.6) USER MOD Set 2.2: A 13 THR OG1 : rot -76:sc= 1.28 USER MOD Single : A 1 ARG N :NH3+ -139:sc= 0.434! (180deg=-3.68!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.321 K(o=-0.32,f=-3) USER MOD Single : A 9 THR OG1 : rot 15:sc= 0.834 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 39:sc= 0.8 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -159:sc= -0.34! (180deg=-1.61!) USER MOD Single : A 25 ASN :FLIP amide:sc= -3.46! C(o=-4.2!,f=-3.5!) USER MOD Single : A 28 THR OG1 : rot -68:sc= 1.5 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 41 THR OG1 : rot 32:sc= 0.345 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -141:sc= -1.8! (180deg=-8.69!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 40.154 24.922 67.308 1.00 0.00 N ATOM 2 CA ARG A 1 38.793 24.888 66.608 1.00 0.00 C ATOM 3 C ARG A 1 39.005 25.193 65.086 1.00 0.00 C ATOM 4 O ARG A 1 40.116 25.474 64.652 1.00 0.00 O ATOM 5 CB ARG A 1 37.785 25.946 67.085 1.00 0.00 C ATOM 6 CG ARG A 1 37.412 26.119 68.563 1.00 0.00 C ATOM 7 CD ARG A 1 37.001 24.847 69.305 1.00 0.00 C ATOM 8 NE ARG A 1 36.550 24.993 70.714 1.00 0.00 N ATOM 9 CZ ARG A 1 37.071 25.746 71.674 1.00 0.00 C ATOM 10 NH1 ARG A 1 38.211 26.368 71.533 1.00 0.00 N ATOM 11 NH2 ARG A 1 36.414 25.865 72.801 1.00 0.00 N ATOM 0 H1 ARG A 1 40.210 24.144 67.996 1.00 0.00 H new ATOM 0 H2 ARG A 1 40.910 24.815 66.602 1.00 0.00 H new ATOM 0 H3 ARG A 1 40.267 25.830 67.803 1.00 0.00 H new ATOM 0 HA ARG A 1 38.391 23.900 66.831 1.00 0.00 H new ATOM 0 HB2 ARG A 1 38.159 26.911 66.742 1.00 0.00 H new ATOM 0 HB3 ARG A 1 36.855 25.756 66.549 1.00 0.00 H new ATOM 0 HG2 ARG A 1 38.263 26.560 69.082 1.00 0.00 H new ATOM 0 HG3 ARG A 1 36.593 26.835 68.629 1.00 0.00 H new ATOM 0 HD2 ARG A 1 36.197 24.373 68.741 1.00 0.00 H new ATOM 0 HD3 ARG A 1 37.848 24.161 69.292 1.00 0.00 H new ATOM 0 HE ARG A 1 35.733 24.442 70.977 1.00 0.00 H new ATOM 0 HH11 ARG A 1 38.734 26.284 70.661 1.00 0.00 H new ATOM 0 HH12 ARG A 1 38.579 26.938 72.295 1.00 0.00 H new ATOM 0 HH21 ARG A 1 35.523 25.384 72.925 1.00 0.00 H new ATOM 0 HH22 ARG A 1 36.794 26.438 73.554 1.00 0.00 H new ATOM 27 N ILE A 2 37.868 25.178 64.289 1.00 0.00 N ATOM 28 CA ILE A 2 37.906 25.461 62.847 1.00 0.00 C ATOM 29 C ILE A 2 37.648 26.998 62.607 1.00 0.00 C ATOM 30 O ILE A 2 36.692 27.592 63.105 1.00 0.00 O ATOM 31 CB ILE A 2 36.836 24.711 61.997 1.00 0.00 C ATOM 32 CG1 ILE A 2 36.656 23.185 62.243 1.00 0.00 C ATOM 33 CG2 ILE A 2 37.082 24.910 60.473 1.00 0.00 C ATOM 34 CD1 ILE A 2 36.250 22.683 63.643 1.00 0.00 C ATOM 0 H ILE A 2 36.935 24.971 64.645 1.00 0.00 H new ATOM 0 HA ILE A 2 38.892 25.122 62.528 1.00 0.00 H new ATOM 0 HB ILE A 2 35.916 25.180 62.345 1.00 0.00 H new ATOM 0 HG12 ILE A 2 35.906 22.827 61.538 1.00 0.00 H new ATOM 0 HG13 ILE A 2 37.596 22.699 61.982 1.00 0.00 H new ATOM 0 HG21 ILE A 2 36.319 24.374 59.908 1.00 0.00 H new ATOM 0 HG22 ILE A 2 37.033 25.972 60.232 1.00 0.00 H new ATOM 0 HG23 ILE A 2 38.066 24.523 60.210 1.00 0.00 H new ATOM 0 HD11 ILE A 2 36.171 21.596 63.631 1.00 0.00 H new ATOM 0 HD12 ILE A 2 37.004 22.984 64.370 1.00 0.00 H new ATOM 0 HD13 ILE A 2 35.287 23.114 63.919 1.00 0.00 H new ATOM 46 N CYS A 3 38.534 27.626 61.746 1.00 0.00 N ATOM 47 CA CYS A 3 38.249 28.928 61.136 1.00 0.00 C ATOM 48 C CYS A 3 38.856 28.874 59.685 1.00 0.00 C ATOM 49 O CYS A 3 39.844 28.180 59.438 1.00 0.00 O ATOM 50 CB CYS A 3 38.797 30.208 61.798 1.00 0.00 C ATOM 51 SG CYS A 3 38.235 30.710 63.468 1.00 0.00 S ATOM 0 H CYS A 3 39.436 27.231 61.479 1.00 0.00 H new ATOM 0 HA CYS A 3 37.168 29.035 61.224 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.882 30.108 61.841 1.00 0.00 H new ATOM 0 HB3 CYS A 3 38.580 31.036 61.124 1.00 0.00 H new ATOM 56 N TYR A 4 38.266 29.647 58.696 1.00 0.00 N ATOM 57 CA TYR A 4 38.718 29.458 57.308 1.00 0.00 C ATOM 58 C TYR A 4 39.853 30.430 56.907 1.00 0.00 C ATOM 59 O TYR A 4 40.099 31.442 57.556 1.00 0.00 O ATOM 60 CB TYR A 4 37.560 29.691 56.308 1.00 0.00 C ATOM 61 CG TYR A 4 36.231 29.123 56.775 1.00 0.00 C ATOM 62 CD1 TYR A 4 36.119 28.007 57.607 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.064 29.818 56.469 1.00 0.00 C ATOM 64 CE1 TYR A 4 34.929 27.686 58.237 1.00 0.00 C ATOM 65 CE2 TYR A 4 33.859 29.490 57.059 1.00 0.00 C ATOM 66 CZ TYR A 4 33.790 28.456 57.994 1.00 0.00 C ATOM 67 OH TYR A 4 32.629 28.231 58.697 1.00 0.00 O ATOM 0 H TYR A 4 37.537 30.346 58.840 1.00 0.00 H new ATOM 0 HA TYR A 4 39.082 28.431 57.265 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.448 30.762 56.137 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.822 29.241 55.350 1.00 0.00 H new ATOM 0 HD1 TYR A 4 36.983 27.378 57.763 1.00 0.00 H new ATOM 0 HD2 TYR A 4 35.102 30.629 55.757 1.00 0.00 H new ATOM 0 HE1 TYR A 4 34.882 26.845 58.913 1.00 0.00 H new ATOM 0 HE2 TYR A 4 32.966 30.036 56.795 1.00 0.00 H new ATOM 0 HH TYR A 4 31.939 28.860 58.399 1.00 0.00 H new ATOM 77 N ASN A 5 40.512 30.107 55.738 1.00 0.00 N ATOM 78 CA ASN A 5 41.472 31.058 55.181 1.00 0.00 C ATOM 79 C ASN A 5 41.309 31.003 53.636 1.00 0.00 C ATOM 80 O ASN A 5 42.265 30.873 52.880 1.00 0.00 O ATOM 81 CB ASN A 5 42.894 30.849 55.705 1.00 0.00 C ATOM 82 CG ASN A 5 43.830 31.928 55.177 1.00 0.00 C ATOM 83 OD1 ASN A 5 43.471 33.065 54.930 1.00 0.00 O ATOM 84 ND2 ASN A 5 45.108 31.526 55.013 1.00 0.00 N ATOM 0 H ASN A 5 40.389 29.243 55.211 1.00 0.00 H new ATOM 0 HA ASN A 5 41.265 32.075 55.515 1.00 0.00 H new ATOM 0 HB2 ASN A 5 42.891 30.866 56.795 1.00 0.00 H new ATOM 0 HB3 ASN A 5 43.257 29.867 55.402 1.00 0.00 H new ATOM 0 HD21 ASN A 5 45.810 32.183 54.672 1.00 0.00 H new ATOM 0 HD22 ASN A 5 45.372 30.565 55.230 1.00 0.00 H new ATOM 91 N HIS A 6 40.004 31.173 53.201 1.00 0.00 N ATOM 92 CA HIS A 6 39.559 31.311 51.820 1.00 0.00 C ATOM 93 C HIS A 6 39.742 32.785 51.316 1.00 0.00 C ATOM 94 O HIS A 6 40.458 33.579 51.925 1.00 0.00 O ATOM 95 CB HIS A 6 39.956 30.183 50.795 1.00 0.00 C ATOM 96 CG HIS A 6 41.248 30.316 50.064 1.00 0.00 C ATOM 97 ND1 HIS A 6 41.878 29.212 49.463 1.00 0.00 N ATOM 98 CD2 HIS A 6 42.090 31.351 49.780 1.00 0.00 C ATOM 99 CE1 HIS A 6 43.029 29.532 48.888 1.00 0.00 C ATOM 100 NE2 HIS A 6 43.169 30.854 49.067 1.00 0.00 N ATOM 0 H HIS A 6 39.226 31.215 53.859 1.00 0.00 H new ATOM 0 HA HIS A 6 38.489 31.106 51.859 1.00 0.00 H new ATOM 0 HB2 HIS A 6 39.975 29.236 51.334 1.00 0.00 H new ATOM 0 HB3 HIS A 6 39.160 30.112 50.054 1.00 0.00 H new ATOM 0 HD2 HIS A 6 41.941 32.383 50.063 1.00 0.00 H new ATOM 0 HE1 HIS A 6 43.712 28.867 48.381 1.00 0.00 H new ATOM 0 HE2 HIS A 6 43.954 31.411 48.728 1.00 0.00 H new ATOM 109 N LEU A 7 39.008 33.159 50.203 1.00 0.00 N ATOM 110 CA LEU A 7 38.954 34.556 49.784 1.00 0.00 C ATOM 111 C LEU A 7 40.344 35.112 49.327 1.00 0.00 C ATOM 112 O LEU A 7 41.257 34.392 48.926 1.00 0.00 O ATOM 113 CB LEU A 7 38.166 35.447 50.777 1.00 0.00 C ATOM 114 CG LEU A 7 36.704 34.999 51.023 1.00 0.00 C ATOM 115 CD1 LEU A 7 36.070 35.792 52.174 1.00 0.00 C ATOM 116 CD2 LEU A 7 35.851 35.177 49.757 1.00 0.00 C ATOM 0 H LEU A 7 38.474 32.514 49.620 1.00 0.00 H new ATOM 0 HA LEU A 7 38.357 34.595 48.873 1.00 0.00 H new ATOM 0 HB2 LEU A 7 38.694 35.460 51.731 1.00 0.00 H new ATOM 0 HB3 LEU A 7 38.161 36.470 50.401 1.00 0.00 H new ATOM 0 HG LEU A 7 36.732 33.942 51.290 1.00 0.00 H new ATOM 0 HD11 LEU A 7 35.044 35.457 52.325 1.00 0.00 H new ATOM 0 HD12 LEU A 7 36.643 35.629 53.087 1.00 0.00 H new ATOM 0 HD13 LEU A 7 36.073 36.854 51.929 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.829 34.855 49.958 1.00 0.00 H new ATOM 0 HD22 LEU A 7 35.849 36.227 49.464 1.00 0.00 H new ATOM 0 HD23 LEU A 7 36.269 34.576 48.949 1.00 0.00 H new ATOM 128 N GLY A 8 40.397 36.493 49.246 1.00 0.00 N ATOM 129 CA GLY A 8 41.496 37.192 48.576 1.00 0.00 C ATOM 130 C GLY A 8 41.133 37.309 47.087 1.00 0.00 C ATOM 131 O GLY A 8 41.152 38.389 46.507 1.00 0.00 O ATOM 0 H GLY A 8 39.687 37.111 49.640 1.00 0.00 H new ATOM 0 HA2 GLY A 8 41.644 38.180 49.013 1.00 0.00 H new ATOM 0 HA3 GLY A 8 42.430 36.645 48.701 1.00 0.00 H new ATOM 135 N THR A 9 40.845 36.108 46.468 1.00 0.00 N ATOM 136 CA THR A 9 40.470 35.973 45.070 1.00 0.00 C ATOM 137 C THR A 9 39.967 34.518 44.863 1.00 0.00 C ATOM 138 O THR A 9 38.973 34.282 44.179 1.00 0.00 O ATOM 139 CB THR A 9 41.619 36.193 44.033 1.00 0.00 C ATOM 140 OG1 THR A 9 42.097 37.541 44.010 1.00 0.00 O ATOM 141 CG2 THR A 9 41.234 35.895 42.577 1.00 0.00 C ATOM 0 H THR A 9 40.877 35.216 46.961 1.00 0.00 H new ATOM 0 HA THR A 9 39.729 36.751 44.887 1.00 0.00 H new ATOM 0 HB THR A 9 42.374 35.489 44.382 1.00 0.00 H new ATOM 0 HG1 THR A 9 41.786 38.012 44.811 1.00 0.00 H new ATOM 0 HG21 THR A 9 42.092 36.075 41.930 1.00 0.00 H new ATOM 0 HG22 THR A 9 40.925 34.854 42.488 1.00 0.00 H new ATOM 0 HG23 THR A 9 40.411 36.544 42.278 1.00 0.00 H new ATOM 149 N LYS A 10 40.720 33.515 45.457 1.00 0.00 N ATOM 150 CA LYS A 10 40.508 32.096 45.141 1.00 0.00 C ATOM 151 C LYS A 10 39.395 31.387 46.012 1.00 0.00 C ATOM 152 O LYS A 10 39.138 31.770 47.150 1.00 0.00 O ATOM 153 CB LYS A 10 41.849 31.343 45.321 1.00 0.00 C ATOM 154 CG LYS A 10 43.066 31.843 44.477 1.00 0.00 C ATOM 155 CD LYS A 10 42.852 32.023 42.951 1.00 0.00 C ATOM 156 CE LYS A 10 44.127 32.523 42.238 1.00 0.00 C ATOM 157 NZ LYS A 10 43.840 33.076 40.835 1.00 0.00 N ATOM 0 H LYS A 10 41.458 33.687 46.140 1.00 0.00 H new ATOM 0 HA LYS A 10 40.151 32.060 44.112 1.00 0.00 H new ATOM 0 HB2 LYS A 10 42.125 31.391 46.374 1.00 0.00 H new ATOM 0 HB3 LYS A 10 41.681 30.292 45.083 1.00 0.00 H new ATOM 0 HG2 LYS A 10 43.389 32.800 44.887 1.00 0.00 H new ATOM 0 HG3 LYS A 10 43.887 31.141 44.621 1.00 0.00 H new ATOM 0 HD2 LYS A 10 42.543 31.073 42.515 1.00 0.00 H new ATOM 0 HD3 LYS A 10 42.041 32.731 42.781 1.00 0.00 H new ATOM 0 HE2 LYS A 10 44.596 33.300 42.842 1.00 0.00 H new ATOM 0 HE3 LYS A 10 44.842 31.704 42.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 44.728 33.398 40.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 43.418 32.329 40.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 43.179 33.876 40.906 1.00 0.00 H new ATOM 171 N PRO A 11 38.799 30.253 45.442 1.00 0.00 N ATOM 172 CA PRO A 11 37.718 29.486 46.089 1.00 0.00 C ATOM 173 C PRO A 11 37.977 28.943 47.537 1.00 0.00 C ATOM 174 O PRO A 11 39.118 28.789 47.961 1.00 0.00 O ATOM 175 CB PRO A 11 37.543 28.273 45.157 1.00 0.00 C ATOM 176 CG PRO A 11 37.677 28.915 43.772 1.00 0.00 C ATOM 177 CD PRO A 11 38.772 29.970 43.998 1.00 0.00 C ATOM 0 HA PRO A 11 36.866 30.153 46.220 1.00 0.00 H new ATOM 0 HB2 PRO A 11 38.304 27.512 45.330 1.00 0.00 H new ATOM 0 HB3 PRO A 11 36.575 27.791 45.292 1.00 0.00 H new ATOM 0 HG2 PRO A 11 37.965 28.187 43.014 1.00 0.00 H new ATOM 0 HG3 PRO A 11 36.741 29.366 43.442 1.00 0.00 H new ATOM 0 HD2 PRO A 11 39.740 29.601 43.658 1.00 0.00 H new ATOM 0 HD3 PRO A 11 38.559 30.876 43.431 1.00 0.00 H new ATOM 185 N PRO A 12 36.845 28.575 48.266 1.00 0.00 N ATOM 186 CA PRO A 12 36.883 28.088 49.668 1.00 0.00 C ATOM 187 C PRO A 12 37.910 26.926 49.976 1.00 0.00 C ATOM 188 O PRO A 12 38.022 25.938 49.259 1.00 0.00 O ATOM 189 CB PRO A 12 35.445 27.594 49.940 1.00 0.00 C ATOM 190 CG PRO A 12 34.595 28.549 49.090 1.00 0.00 C ATOM 191 CD PRO A 12 35.446 28.670 47.823 1.00 0.00 C ATOM 0 HA PRO A 12 37.226 28.900 50.309 1.00 0.00 H new ATOM 0 HB2 PRO A 12 35.310 26.555 49.639 1.00 0.00 H new ATOM 0 HB3 PRO A 12 35.189 27.656 50.998 1.00 0.00 H new ATOM 0 HG2 PRO A 12 33.605 28.142 48.882 1.00 0.00 H new ATOM 0 HG3 PRO A 12 34.448 29.512 49.579 1.00 0.00 H new ATOM 0 HD2 PRO A 12 35.206 27.877 47.114 1.00 0.00 H new ATOM 0 HD3 PRO A 12 35.260 29.617 47.317 1.00 0.00 H new ATOM 199 N THR A 13 38.644 27.074 51.150 1.00 0.00 N ATOM 200 CA THR A 13 39.623 26.107 51.688 1.00 0.00 C ATOM 201 C THR A 13 39.762 26.486 53.224 1.00 0.00 C ATOM 202 O THR A 13 39.868 27.656 53.601 1.00 0.00 O ATOM 203 CB THR A 13 41.066 25.912 51.133 1.00 0.00 C ATOM 204 OG1 THR A 13 41.950 27.017 51.303 1.00 0.00 O ATOM 205 CG2 THR A 13 41.142 25.493 49.656 1.00 0.00 C ATOM 0 H THR A 13 38.548 27.899 51.742 1.00 0.00 H new ATOM 0 HA THR A 13 39.188 25.155 51.382 1.00 0.00 H new ATOM 0 HB THR A 13 41.401 25.091 51.767 1.00 0.00 H new ATOM 0 HG1 THR A 13 41.731 27.715 50.651 1.00 0.00 H new ATOM 0 HG21 THR A 13 42.186 25.382 49.362 1.00 0.00 H new ATOM 0 HG22 THR A 13 40.624 24.543 49.520 1.00 0.00 H new ATOM 0 HG23 THR A 13 40.670 26.256 49.037 1.00 0.00 H new ATOM 213 N THR A 14 39.808 25.432 54.126 1.00 0.00 N ATOM 214 CA THR A 14 39.576 25.645 55.577 1.00 0.00 C ATOM 215 C THR A 14 40.706 25.108 56.509 1.00 0.00 C ATOM 216 O THR A 14 41.468 24.223 56.129 1.00 0.00 O ATOM 217 CB THR A 14 38.210 25.012 55.905 1.00 0.00 C ATOM 218 OG1 THR A 14 38.098 23.609 55.639 1.00 0.00 O ATOM 219 CG2 THR A 14 37.110 25.719 55.072 1.00 0.00 C ATOM 0 H THR A 14 39.999 24.465 53.865 1.00 0.00 H new ATOM 0 HA THR A 14 39.583 26.717 55.776 1.00 0.00 H new ATOM 0 HB THR A 14 38.096 25.142 56.981 1.00 0.00 H new ATOM 0 HG1 THR A 14 37.199 23.301 55.880 1.00 0.00 H new ATOM 0 HG21 THR A 14 36.140 25.276 55.299 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.091 26.780 55.320 1.00 0.00 H new ATOM 0 HG23 THR A 14 37.324 25.599 54.010 1.00 0.00 H new ATOM 227 N GLU A 15 40.785 25.682 57.773 1.00 0.00 N ATOM 228 CA GLU A 15 41.879 25.346 58.716 1.00 0.00 C ATOM 229 C GLU A 15 41.215 24.684 59.963 1.00 0.00 C ATOM 230 O GLU A 15 40.780 25.353 60.899 1.00 0.00 O ATOM 231 CB GLU A 15 42.786 26.529 59.136 1.00 0.00 C ATOM 232 CG GLU A 15 43.348 27.346 57.955 1.00 0.00 C ATOM 233 CD GLU A 15 44.397 28.337 58.439 1.00 0.00 C ATOM 234 OE1 GLU A 15 44.173 29.420 58.950 1.00 0.00 O ATOM 235 OE2 GLU A 15 45.631 27.888 58.219 1.00 0.00 O ATOM 0 H GLU A 15 40.112 26.359 58.133 1.00 0.00 H new ATOM 0 HA GLU A 15 42.565 24.674 58.200 1.00 0.00 H new ATOM 0 HB2 GLU A 15 42.218 27.195 59.786 1.00 0.00 H new ATOM 0 HB3 GLU A 15 43.618 26.143 59.725 1.00 0.00 H new ATOM 0 HG2 GLU A 15 43.788 26.674 57.218 1.00 0.00 H new ATOM 0 HG3 GLU A 15 42.538 27.880 57.457 1.00 0.00 H new ATOM 243 N THR A 16 41.158 23.296 59.960 1.00 0.00 N ATOM 244 CA THR A 16 40.694 22.555 61.151 1.00 0.00 C ATOM 245 C THR A 16 41.948 22.624 62.100 1.00 0.00 C ATOM 246 O THR A 16 42.945 21.936 61.880 1.00 0.00 O ATOM 247 CB THR A 16 40.270 21.081 60.901 1.00 0.00 C ATOM 248 OG1 THR A 16 39.221 21.048 59.927 1.00 0.00 O ATOM 249 CG2 THR A 16 39.811 20.392 62.197 1.00 0.00 C ATOM 0 H THR A 16 41.422 22.710 59.168 1.00 0.00 H new ATOM 0 HA THR A 16 39.779 22.995 61.548 1.00 0.00 H new ATOM 0 HB THR A 16 41.138 20.535 60.531 1.00 0.00 H new ATOM 0 HG1 THR A 16 38.953 20.119 59.766 1.00 0.00 H new ATOM 0 HG21 THR A 16 39.523 19.363 61.980 1.00 0.00 H new ATOM 0 HG22 THR A 16 40.627 20.396 62.920 1.00 0.00 H new ATOM 0 HG23 THR A 16 38.957 20.928 62.611 1.00 0.00 H new ATOM 257 N CYS A 17 41.888 23.464 63.210 1.00 0.00 N ATOM 258 CA CYS A 17 43.100 23.779 64.000 1.00 0.00 C ATOM 259 C CYS A 17 43.031 23.315 65.499 1.00 0.00 C ATOM 260 O CYS A 17 41.974 23.303 66.130 1.00 0.00 O ATOM 261 CB CYS A 17 43.291 25.293 64.039 1.00 0.00 C ATOM 262 SG CYS A 17 44.996 25.842 64.285 1.00 0.00 S ATOM 0 H CYS A 17 41.034 23.908 63.547 1.00 0.00 H new ATOM 0 HA CYS A 17 43.913 23.246 63.508 1.00 0.00 H new ATOM 0 HB2 CYS A 17 42.921 25.715 63.105 1.00 0.00 H new ATOM 0 HB3 CYS A 17 42.675 25.701 64.840 1.00 0.00 H new ATOM 267 N GLN A 18 44.262 23.050 66.080 1.00 0.00 N ATOM 268 CA GLN A 18 44.440 22.653 67.484 1.00 0.00 C ATOM 269 C GLN A 18 44.801 23.850 68.411 1.00 0.00 C ATOM 270 O GLN A 18 44.634 23.716 69.624 1.00 0.00 O ATOM 271 CB GLN A 18 45.491 21.538 67.684 1.00 0.00 C ATOM 272 CG GLN A 18 46.977 21.986 67.522 1.00 0.00 C ATOM 273 CD GLN A 18 47.833 20.893 66.893 1.00 0.00 C ATOM 274 OE1 GLN A 18 48.496 20.101 67.536 1.00 0.00 O ATOM 275 NE2 GLN A 18 47.808 20.875 65.540 1.00 0.00 N ATOM 0 H GLN A 18 45.140 23.114 65.565 1.00 0.00 H new ATOM 0 HA GLN A 18 43.463 22.261 67.768 1.00 0.00 H new ATOM 0 HB2 GLN A 18 45.363 21.115 68.680 1.00 0.00 H new ATOM 0 HB3 GLN A 18 45.290 20.739 66.970 1.00 0.00 H new ATOM 0 HG2 GLN A 18 47.021 22.883 66.904 1.00 0.00 H new ATOM 0 HG3 GLN A 18 47.385 22.251 68.497 1.00 0.00 H new ATOM 0 HE21 GLN A 18 47.241 21.554 65.031 1.00 0.00 H new ATOM 0 HE22 GLN A 18 48.356 20.183 65.029 1.00 0.00 H new ATOM 284 N GLU A 19 45.349 25.020 67.884 1.00 0.00 N ATOM 285 CA GLU A 19 45.548 26.175 68.770 1.00 0.00 C ATOM 286 C GLU A 19 44.088 26.574 69.193 1.00 0.00 C ATOM 287 O GLU A 19 43.220 26.821 68.356 1.00 0.00 O ATOM 288 CB GLU A 19 46.307 27.366 68.147 1.00 0.00 C ATOM 289 CG GLU A 19 47.802 27.097 67.819 1.00 0.00 C ATOM 290 CD GLU A 19 48.012 26.309 66.533 1.00 0.00 C ATOM 291 OE1 GLU A 19 48.426 25.174 66.446 1.00 0.00 O ATOM 292 OE2 GLU A 19 47.710 27.044 65.462 1.00 0.00 O ATOM 0 H GLU A 19 45.633 25.153 66.913 1.00 0.00 H new ATOM 0 HA GLU A 19 46.196 25.904 69.604 1.00 0.00 H new ATOM 0 HB2 GLU A 19 45.798 27.662 67.230 1.00 0.00 H new ATOM 0 HB3 GLU A 19 46.248 28.212 68.831 1.00 0.00 H new ATOM 0 HG2 GLU A 19 48.325 28.050 67.741 1.00 0.00 H new ATOM 0 HG3 GLU A 19 48.255 26.552 68.647 1.00 0.00 H new ATOM 300 N ASP A 20 43.848 26.648 70.560 1.00 0.00 N ATOM 301 CA ASP A 20 42.550 26.783 71.226 1.00 0.00 C ATOM 302 C ASP A 20 41.786 28.135 70.925 1.00 0.00 C ATOM 303 O ASP A 20 40.820 28.437 71.634 1.00 0.00 O ATOM 304 CB ASP A 20 41.648 25.532 71.248 1.00 0.00 C ATOM 305 CG ASP A 20 40.917 25.226 69.926 1.00 0.00 C ATOM 306 OD1 ASP A 20 40.411 26.210 69.377 1.00 0.00 O ATOM 307 OD2 ASP A 20 40.853 24.053 69.551 1.00 0.00 O ATOM 0 H ASP A 20 44.615 26.610 71.231 1.00 0.00 H new ATOM 0 HA ASP A 20 42.851 26.863 72.270 1.00 0.00 H new ATOM 0 HB2 ASP A 20 42.258 24.669 71.516 1.00 0.00 H new ATOM 0 HB3 ASP A 20 40.905 25.654 72.036 1.00 0.00 H new ATOM 312 N SER A 21 42.240 28.994 69.937 1.00 0.00 N ATOM 313 CA SER A 21 41.608 30.261 69.616 1.00 0.00 C ATOM 314 C SER A 21 41.924 30.593 68.127 1.00 0.00 C ATOM 315 O SER A 21 43.010 30.346 67.598 1.00 0.00 O ATOM 316 CB SER A 21 42.085 31.463 70.467 1.00 0.00 C ATOM 317 OG SER A 21 41.555 32.740 70.118 1.00 0.00 O ATOM 0 H SER A 21 43.058 28.792 69.362 1.00 0.00 H new ATOM 0 HA SER A 21 40.546 30.130 69.824 1.00 0.00 H new ATOM 0 HB2 SER A 21 41.836 31.263 71.509 1.00 0.00 H new ATOM 0 HB3 SER A 21 43.172 31.516 70.404 1.00 0.00 H new ATOM 0 HG SER A 21 40.611 32.646 69.873 1.00 0.00 H new ATOM 323 N CYS A 22 40.899 31.212 67.439 1.00 0.00 N ATOM 324 CA CYS A 22 41.103 31.647 66.076 1.00 0.00 C ATOM 325 C CYS A 22 40.308 32.938 65.753 1.00 0.00 C ATOM 326 O CYS A 22 39.439 33.355 66.518 1.00 0.00 O ATOM 327 CB CYS A 22 40.889 30.474 65.087 1.00 0.00 C ATOM 328 SG CYS A 22 39.274 29.649 64.858 1.00 0.00 S ATOM 0 H CYS A 22 39.971 31.399 67.820 1.00 0.00 H new ATOM 0 HA CYS A 22 42.144 31.943 65.949 1.00 0.00 H new ATOM 0 HB2 CYS A 22 41.193 30.837 64.105 1.00 0.00 H new ATOM 0 HB3 CYS A 22 41.597 29.696 65.372 1.00 0.00 H new ATOM 333 N TYR A 23 40.683 33.604 64.594 1.00 0.00 N ATOM 334 CA TYR A 23 40.280 35.002 64.453 1.00 0.00 C ATOM 335 C TYR A 23 39.975 35.489 63.014 1.00 0.00 C ATOM 336 O TYR A 23 40.388 34.919 62.004 1.00 0.00 O ATOM 337 CB TYR A 23 41.406 35.933 65.030 1.00 0.00 C ATOM 338 CG TYR A 23 42.691 35.812 64.241 1.00 0.00 C ATOM 339 CD1 TYR A 23 42.908 36.595 63.110 1.00 0.00 C ATOM 340 CD2 TYR A 23 43.691 34.909 64.595 1.00 0.00 C ATOM 341 CE1 TYR A 23 44.072 36.497 62.361 1.00 0.00 C ATOM 342 CE2 TYR A 23 44.864 34.798 63.864 1.00 0.00 C ATOM 343 CZ TYR A 23 45.071 35.595 62.724 1.00 0.00 C ATOM 344 OH TYR A 23 46.224 35.450 62.016 1.00 0.00 O ATOM 0 H TYR A 23 41.219 33.208 63.822 1.00 0.00 H new ATOM 0 HA TYR A 23 39.340 35.060 65.002 1.00 0.00 H new ATOM 0 HB2 TYR A 23 41.066 36.968 65.014 1.00 0.00 H new ATOM 0 HB3 TYR A 23 41.593 35.675 66.072 1.00 0.00 H new ATOM 0 HD1 TYR A 23 42.148 37.300 62.807 1.00 0.00 H new ATOM 0 HD2 TYR A 23 43.549 34.279 65.461 1.00 0.00 H new ATOM 0 HE1 TYR A 23 44.205 37.123 61.491 1.00 0.00 H new ATOM 0 HE2 TYR A 23 45.624 34.095 64.172 1.00 0.00 H new ATOM 0 HH TYR A 23 46.786 34.769 62.441 1.00 0.00 H new ATOM 354 N LYS A 24 39.233 36.658 63.025 1.00 0.00 N ATOM 355 CA LYS A 24 38.729 37.376 61.852 1.00 0.00 C ATOM 356 C LYS A 24 39.606 38.677 61.705 1.00 0.00 C ATOM 357 O LYS A 24 39.675 39.560 62.557 1.00 0.00 O ATOM 358 CB LYS A 24 37.235 37.705 62.019 1.00 0.00 C ATOM 359 CG LYS A 24 36.288 36.546 62.437 1.00 0.00 C ATOM 360 CD LYS A 24 36.396 35.219 61.656 1.00 0.00 C ATOM 361 CE LYS A 24 35.516 34.156 62.323 1.00 0.00 C ATOM 362 NZ LYS A 24 35.404 32.854 61.525 1.00 0.00 N ATOM 0 H LYS A 24 38.976 37.119 63.898 1.00 0.00 H new ATOM 0 HA LYS A 24 38.807 36.769 60.950 1.00 0.00 H new ATOM 0 HB2 LYS A 24 37.146 38.497 62.763 1.00 0.00 H new ATOM 0 HB3 LYS A 24 36.873 38.112 61.075 1.00 0.00 H new ATOM 0 HG2 LYS A 24 36.465 36.331 63.491 1.00 0.00 H new ATOM 0 HG3 LYS A 24 35.262 36.903 62.352 1.00 0.00 H new ATOM 0 HD2 LYS A 24 36.084 35.367 60.622 1.00 0.00 H new ATOM 0 HD3 LYS A 24 37.433 34.884 61.631 1.00 0.00 H new ATOM 0 HE2 LYS A 24 35.919 33.932 63.311 1.00 0.00 H new ATOM 0 HE3 LYS A 24 34.517 34.566 62.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 34.552 32.336 61.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 35.339 33.073 60.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 36.244 32.267 61.699 1.00 0.00 H new ATOM 376 N ASN A 25 40.309 38.756 60.524 1.00 0.00 N ATOM 377 CA ASN A 25 41.289 39.787 60.130 1.00 0.00 C ATOM 378 C ASN A 25 40.657 40.436 58.832 1.00 0.00 C ATOM 379 O ASN A 25 40.289 39.746 57.880 1.00 0.00 O ATOM 380 CB ASN A 25 42.595 39.047 59.936 1.00 0.00 C ATOM 381 CG ASN A 25 43.808 39.911 59.736 1.00 0.00 C ATOM 382 OD1 ASN A 25 43.916 40.417 58.495 1.00 0.00 O flip ATOM 383 ND2 ASN A 25 44.624 40.142 60.608 1.00 0.00 N flip ATOM 0 H ASN A 25 40.187 38.055 59.793 1.00 0.00 H new ATOM 0 HA ASN A 25 41.496 40.592 60.835 1.00 0.00 H new ATOM 0 HB2 ASN A 25 42.764 38.411 60.805 1.00 0.00 H new ATOM 0 HB3 ASN A 25 42.494 38.388 59.073 1.00 0.00 H new ATOM 0 HD21 ASN A 25 44.505 39.738 61.537 1.00 0.00 H new ATOM 0 HD22 ASN A 25 45.427 40.739 60.410 1.00 0.00 H new ATOM 390 N ILE A 26 40.563 41.835 58.829 1.00 0.00 N ATOM 391 CA ILE A 26 39.451 42.500 58.088 1.00 0.00 C ATOM 392 C ILE A 26 39.859 43.612 57.066 1.00 0.00 C ATOM 393 O ILE A 26 39.262 43.736 56.001 1.00 0.00 O ATOM 394 CB ILE A 26 38.449 43.057 59.142 1.00 0.00 C ATOM 395 CG1 ILE A 26 38.770 44.422 59.819 1.00 0.00 C ATOM 396 CG2 ILE A 26 38.148 42.018 60.255 1.00 0.00 C ATOM 397 CD1 ILE A 26 39.913 44.470 60.852 1.00 0.00 C ATOM 0 H ILE A 26 41.209 42.465 59.305 1.00 0.00 H new ATOM 0 HA ILE A 26 39.007 41.736 57.450 1.00 0.00 H new ATOM 0 HB ILE A 26 37.581 43.256 58.513 1.00 0.00 H new ATOM 0 HG12 ILE A 26 39.003 45.138 59.031 1.00 0.00 H new ATOM 0 HG13 ILE A 26 37.862 44.772 60.310 1.00 0.00 H new ATOM 0 HG21 ILE A 26 37.445 42.445 60.971 1.00 0.00 H new ATOM 0 HG22 ILE A 26 37.714 41.123 59.809 1.00 0.00 H new ATOM 0 HG23 ILE A 26 39.073 41.756 60.768 1.00 0.00 H new ATOM 0 HD11 ILE A 26 40.016 45.486 61.234 1.00 0.00 H new ATOM 0 HD12 ILE A 26 39.687 43.793 61.676 1.00 0.00 H new ATOM 0 HD13 ILE A 26 40.846 44.165 60.377 1.00 0.00 H new ATOM 409 N TRP A 27 40.864 44.457 57.478 1.00 0.00 N ATOM 410 CA TRP A 27 41.643 45.455 56.739 1.00 0.00 C ATOM 411 C TRP A 27 42.234 44.744 55.460 1.00 0.00 C ATOM 412 O TRP A 27 41.612 44.707 54.406 1.00 0.00 O ATOM 413 CB TRP A 27 42.773 45.987 57.697 1.00 0.00 C ATOM 414 CG TRP A 27 43.292 44.948 58.671 1.00 0.00 C ATOM 415 CD1 TRP A 27 43.198 43.536 58.534 1.00 0.00 C ATOM 416 CD2 TRP A 27 43.777 45.113 59.964 1.00 0.00 C ATOM 417 NE1 TRP A 27 43.477 42.868 59.682 1.00 0.00 N ATOM 418 CE2 TRP A 27 43.882 43.855 60.562 1.00 0.00 C ATOM 419 CE3 TRP A 27 44.084 46.250 60.748 1.00 0.00 C ATOM 420 CZ2 TRP A 27 44.271 43.629 61.839 1.00 0.00 C ATOM 421 CZ3 TRP A 27 44.508 46.060 62.055 1.00 0.00 C ATOM 422 CH2 TRP A 27 44.605 44.760 62.596 1.00 0.00 C ATOM 0 H TRP A 27 41.164 44.433 58.453 1.00 0.00 H new ATOM 0 HA TRP A 27 41.042 46.305 56.415 1.00 0.00 H new ATOM 0 HB2 TRP A 27 43.604 46.353 57.094 1.00 0.00 H new ATOM 0 HB3 TRP A 27 42.388 46.838 58.259 1.00 0.00 H new ATOM 0 HD1 TRP A 27 42.932 43.045 57.610 1.00 0.00 H new ATOM 0 HE1 TRP A 27 43.404 41.866 59.856 1.00 0.00 H new ATOM 0 HE3 TRP A 27 43.990 47.245 60.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 44.321 42.632 62.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 44.766 46.914 62.664 1.00 0.00 H new ATOM 0 HH2 TRP A 27 44.943 44.634 63.614 1.00 0.00 H new ATOM 433 N THR A 28 43.514 44.213 55.560 1.00 0.00 N ATOM 434 CA THR A 28 44.164 43.386 54.539 1.00 0.00 C ATOM 435 C THR A 28 44.735 44.232 53.349 1.00 0.00 C ATOM 436 O THR A 28 45.615 43.719 52.658 1.00 0.00 O ATOM 437 CB THR A 28 43.360 42.164 54.022 1.00 0.00 C ATOM 438 OG1 THR A 28 44.146 41.268 53.239 1.00 0.00 O ATOM 439 CG2 THR A 28 42.648 41.320 55.085 1.00 0.00 C ATOM 0 H THR A 28 44.105 44.369 56.377 1.00 0.00 H new ATOM 0 HA THR A 28 44.995 42.946 55.090 1.00 0.00 H new ATOM 0 HB THR A 28 42.597 42.657 53.420 1.00 0.00 H new ATOM 0 HG1 THR A 28 44.392 41.701 52.395 1.00 0.00 H new ATOM 0 HG21 THR A 28 42.121 40.497 54.603 1.00 0.00 H new ATOM 0 HG22 THR A 28 43.382 40.921 55.785 1.00 0.00 H new ATOM 0 HG23 THR A 28 41.934 41.942 55.625 1.00 0.00 H new ATOM 447 N PHE A 29 44.286 45.523 53.099 1.00 0.00 N ATOM 448 CA PHE A 29 44.652 46.374 51.944 1.00 0.00 C ATOM 449 C PHE A 29 43.714 46.007 50.765 1.00 0.00 C ATOM 450 O PHE A 29 43.088 46.902 50.196 1.00 0.00 O ATOM 451 CB PHE A 29 46.119 46.493 51.483 1.00 0.00 C ATOM 452 CG PHE A 29 46.945 47.289 52.474 1.00 0.00 C ATOM 453 CD1 PHE A 29 47.424 46.725 53.660 1.00 0.00 C ATOM 454 CD2 PHE A 29 47.249 48.630 52.219 1.00 0.00 C ATOM 455 CE1 PHE A 29 48.173 47.471 54.570 1.00 0.00 C ATOM 456 CE2 PHE A 29 48.007 49.389 53.112 1.00 0.00 C ATOM 457 CZ PHE A 29 48.472 48.812 54.298 1.00 0.00 C ATOM 0 H PHE A 29 43.639 45.993 53.732 1.00 0.00 H new ATOM 0 HA PHE A 29 44.516 47.385 52.328 1.00 0.00 H new ATOM 0 HB2 PHE A 29 46.547 45.498 51.366 1.00 0.00 H new ATOM 0 HB3 PHE A 29 46.157 46.974 50.505 1.00 0.00 H new ATOM 0 HD1 PHE A 29 47.209 45.689 53.876 1.00 0.00 H new ATOM 0 HD2 PHE A 29 46.889 49.089 51.310 1.00 0.00 H new ATOM 0 HE1 PHE A 29 48.522 47.015 55.484 1.00 0.00 H new ATOM 0 HE2 PHE A 29 48.234 50.421 52.887 1.00 0.00 H new ATOM 0 HZ PHE A 29 49.055 49.394 54.996 1.00 0.00 H new ATOM 467 N ASP A 30 43.601 44.675 50.418 1.00 0.00 N ATOM 468 CA ASP A 30 42.623 44.208 49.442 1.00 0.00 C ATOM 469 C ASP A 30 41.157 44.343 50.006 1.00 0.00 C ATOM 470 O ASP A 30 40.235 44.239 49.197 1.00 0.00 O ATOM 471 CB ASP A 30 42.907 42.814 48.850 1.00 0.00 C ATOM 472 CG ASP A 30 43.163 41.622 49.799 1.00 0.00 C ATOM 473 OD1 ASP A 30 43.979 41.818 50.706 1.00 0.00 O ATOM 474 OD2 ASP A 30 42.579 40.572 49.518 1.00 0.00 O ATOM 0 H ASP A 30 44.183 43.936 50.813 1.00 0.00 H new ATOM 0 HA ASP A 30 42.723 44.873 48.585 1.00 0.00 H new ATOM 0 HB2 ASP A 30 42.061 42.550 48.215 1.00 0.00 H new ATOM 0 HB3 ASP A 30 43.777 42.906 48.200 1.00 0.00 H new ATOM 479 N ASN A 31 40.894 44.628 51.347 1.00 0.00 N ATOM 480 CA ASN A 31 39.560 44.880 51.911 1.00 0.00 C ATOM 481 C ASN A 31 38.800 43.526 51.896 1.00 0.00 C ATOM 482 O ASN A 31 37.895 43.325 51.086 1.00 0.00 O ATOM 483 CB ASN A 31 38.803 46.049 51.274 1.00 0.00 C ATOM 484 CG ASN A 31 39.483 47.364 51.633 1.00 0.00 C ATOM 485 OD1 ASN A 31 39.471 47.828 52.760 1.00 0.00 O ATOM 486 ND2 ASN A 31 40.096 47.990 50.606 1.00 0.00 N ATOM 0 H ASN A 31 41.635 44.682 52.046 1.00 0.00 H new ATOM 0 HA ASN A 31 39.657 45.235 52.937 1.00 0.00 H new ATOM 0 HB2 ASN A 31 38.774 45.928 50.191 1.00 0.00 H new ATOM 0 HB3 ASN A 31 37.770 46.057 51.621 1.00 0.00 H new ATOM 0 HD21 ASN A 31 40.569 48.880 50.761 1.00 0.00 H new ATOM 0 HD22 ASN A 31 40.086 47.573 49.675 1.00 0.00 H new ATOM 493 N ILE A 32 39.147 42.596 52.872 1.00 0.00 N ATOM 494 CA ILE A 32 38.498 41.292 52.818 1.00 0.00 C ATOM 495 C ILE A 32 38.595 40.498 54.155 1.00 0.00 C ATOM 496 O ILE A 32 39.405 40.783 55.032 1.00 0.00 O ATOM 497 CB ILE A 32 39.080 40.392 51.684 1.00 0.00 C ATOM 498 CG1 ILE A 32 38.195 39.216 51.196 1.00 0.00 C ATOM 499 CG2 ILE A 32 40.488 39.879 52.060 1.00 0.00 C ATOM 500 CD1 ILE A 32 36.735 39.572 50.864 1.00 0.00 C ATOM 0 H ILE A 32 39.817 42.739 53.628 1.00 0.00 H new ATOM 0 HA ILE A 32 37.451 41.520 52.618 1.00 0.00 H new ATOM 0 HB ILE A 32 39.122 41.064 50.827 1.00 0.00 H new ATOM 0 HG12 ILE A 32 38.655 38.784 50.308 1.00 0.00 H new ATOM 0 HG13 ILE A 32 38.195 38.442 51.964 1.00 0.00 H new ATOM 0 HG21 ILE A 32 40.874 39.254 51.255 1.00 0.00 H new ATOM 0 HG22 ILE A 32 41.155 40.727 52.213 1.00 0.00 H new ATOM 0 HG23 ILE A 32 40.429 39.294 52.978 1.00 0.00 H new ATOM 0 HD11 ILE A 32 36.208 38.677 50.533 1.00 0.00 H new ATOM 0 HD12 ILE A 32 36.247 39.973 51.753 1.00 0.00 H new ATOM 0 HD13 ILE A 32 36.714 40.319 50.071 1.00 0.00 H new ATOM 512 N ILE A 33 37.725 39.427 54.260 1.00 0.00 N ATOM 513 CA ILE A 33 37.719 38.532 55.425 1.00 0.00 C ATOM 514 C ILE A 33 38.717 37.386 55.036 1.00 0.00 C ATOM 515 O ILE A 33 38.355 36.353 54.478 1.00 0.00 O ATOM 516 CB ILE A 33 36.307 38.089 55.826 1.00 0.00 C ATOM 517 CG1 ILE A 33 35.361 39.277 56.166 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.301 37.059 56.969 1.00 0.00 C ATOM 519 CD1 ILE A 33 35.837 40.224 57.284 1.00 0.00 C ATOM 0 H ILE A 33 37.037 39.187 53.547 1.00 0.00 H new ATOM 0 HA ILE A 33 38.050 39.016 56.344 1.00 0.00 H new ATOM 0 HB ILE A 33 35.913 37.601 54.934 1.00 0.00 H new ATOM 0 HG12 ILE A 33 35.209 39.864 55.261 1.00 0.00 H new ATOM 0 HG13 ILE A 33 34.390 38.872 56.450 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.273 36.785 57.207 1.00 0.00 H new ATOM 0 HG22 ILE A 33 36.851 36.170 56.661 1.00 0.00 H new ATOM 0 HG23 ILE A 33 36.775 37.491 57.851 1.00 0.00 H new ATOM 0 HD11 ILE A 33 35.098 41.012 57.433 1.00 0.00 H new ATOM 0 HD12 ILE A 33 35.959 39.662 58.210 1.00 0.00 H new ATOM 0 HD13 ILE A 33 36.791 40.670 57.002 1.00 0.00 H new ATOM 531 N ARG A 34 40.049 37.607 55.348 1.00 0.00 N ATOM 532 CA ARG A 34 41.115 36.632 55.034 1.00 0.00 C ATOM 533 C ARG A 34 42.076 36.706 56.267 1.00 0.00 C ATOM 534 O ARG A 34 42.462 37.770 56.741 1.00 0.00 O ATOM 535 CB ARG A 34 41.809 36.816 53.674 1.00 0.00 C ATOM 536 CG ARG A 34 42.886 35.765 53.347 1.00 0.00 C ATOM 537 CD ARG A 34 43.365 35.745 51.879 1.00 0.00 C ATOM 538 NE ARG A 34 44.158 36.843 51.287 1.00 0.00 N ATOM 539 CZ ARG A 34 44.395 38.059 51.749 1.00 0.00 C ATOM 540 NH1 ARG A 34 44.644 38.285 53.010 1.00 0.00 N ATOM 541 NH2 ARG A 34 44.444 39.049 50.903 1.00 0.00 N ATOM 0 H ARG A 34 40.384 38.451 55.812 1.00 0.00 H new ATOM 0 HA ARG A 34 40.699 35.634 54.894 1.00 0.00 H new ATOM 0 HB2 ARG A 34 41.052 36.794 52.890 1.00 0.00 H new ATOM 0 HB3 ARG A 34 42.267 37.805 53.647 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.748 35.940 53.991 1.00 0.00 H new ATOM 0 HG3 ARG A 34 42.496 34.779 53.598 1.00 0.00 H new ATOM 0 HD2 ARG A 34 43.952 34.835 51.755 1.00 0.00 H new ATOM 0 HD3 ARG A 34 42.473 35.636 51.262 1.00 0.00 H new ATOM 0 HE ARG A 34 44.587 36.631 50.386 1.00 0.00 H new ATOM 0 HH11 ARG A 34 44.660 37.510 53.673 1.00 0.00 H new ATOM 0 HH12 ARG A 34 44.823 39.236 53.332 1.00 0.00 H new ATOM 0 HH21 ARG A 34 44.301 38.877 49.908 1.00 0.00 H new ATOM 0 HH22 ARG A 34 44.625 39.996 51.236 1.00 0.00 H new ATOM 555 N ARG A 35 42.442 35.465 56.819 1.00 0.00 N ATOM 556 CA ARG A 35 42.557 35.413 58.272 1.00 0.00 C ATOM 557 C ARG A 35 43.170 34.069 58.798 1.00 0.00 C ATOM 558 O ARG A 35 43.848 33.371 58.047 1.00 0.00 O ATOM 559 CB ARG A 35 41.133 35.673 58.843 1.00 0.00 C ATOM 560 CG ARG A 35 40.073 34.711 58.232 1.00 0.00 C ATOM 561 CD ARG A 35 38.731 34.522 58.943 1.00 0.00 C ATOM 562 NE ARG A 35 37.670 33.678 58.315 1.00 0.00 N ATOM 563 CZ ARG A 35 37.266 33.631 57.050 1.00 0.00 C ATOM 564 NH1 ARG A 35 38.078 33.814 56.050 1.00 0.00 N ATOM 565 NH2 ARG A 35 36.007 33.371 56.813 1.00 0.00 N ATOM 0 H ARG A 35 42.634 34.603 56.308 1.00 0.00 H new ATOM 0 HA ARG A 35 43.258 36.174 58.614 1.00 0.00 H new ATOM 0 HB2 ARG A 35 41.150 35.553 59.926 1.00 0.00 H new ATOM 0 HB3 ARG A 35 40.845 36.705 58.641 1.00 0.00 H new ATOM 0 HG2 ARG A 35 39.861 35.058 57.221 1.00 0.00 H new ATOM 0 HG3 ARG A 35 40.536 33.729 58.142 1.00 0.00 H new ATOM 0 HD2 ARG A 35 38.941 34.102 59.927 1.00 0.00 H new ATOM 0 HD3 ARG A 35 38.306 35.513 59.103 1.00 0.00 H new ATOM 0 HE ARG A 35 37.185 33.045 58.951 1.00 0.00 H new ATOM 0 HH11 ARG A 35 39.066 34.002 56.223 1.00 0.00 H new ATOM 0 HH12 ARG A 35 37.727 33.770 55.093 1.00 0.00 H new ATOM 0 HH21 ARG A 35 35.364 33.211 57.589 1.00 0.00 H new ATOM 0 HH22 ARG A 35 35.667 33.328 55.852 1.00 0.00 H new ATOM 579 N GLY A 36 42.978 33.751 60.147 1.00 0.00 N ATOM 580 CA GLY A 36 43.709 32.548 60.577 1.00 0.00 C ATOM 581 C GLY A 36 43.491 31.946 61.979 1.00 0.00 C ATOM 582 O GLY A 36 42.720 32.444 62.789 1.00 0.00 O ATOM 0 H GLY A 36 42.409 34.243 60.836 1.00 0.00 H new ATOM 0 HA2 GLY A 36 43.486 31.763 59.854 1.00 0.00 H new ATOM 0 HA3 GLY A 36 44.772 32.771 60.487 1.00 0.00 H new ATOM 586 N CYS A 37 44.255 30.812 62.216 1.00 0.00 N ATOM 587 CA CYS A 37 44.255 30.055 63.483 1.00 0.00 C ATOM 588 C CYS A 37 45.479 30.553 64.335 1.00 0.00 C ATOM 589 O CYS A 37 46.638 30.317 63.994 1.00 0.00 O ATOM 590 CB CYS A 37 44.357 28.537 63.279 1.00 0.00 C ATOM 591 SG CYS A 37 44.457 27.729 64.904 1.00 0.00 S ATOM 0 H CYS A 37 44.882 30.417 61.515 1.00 0.00 H new ATOM 0 HA CYS A 37 43.306 30.234 63.988 1.00 0.00 H new ATOM 0 HB2 CYS A 37 43.490 28.172 62.729 1.00 0.00 H new ATOM 0 HB3 CYS A 37 45.237 28.295 62.683 1.00 0.00 H new ATOM 596 N GLY A 38 45.210 31.321 65.468 1.00 0.00 N ATOM 597 CA GLY A 38 46.340 31.729 66.302 1.00 0.00 C ATOM 598 C GLY A 38 45.730 32.252 67.611 1.00 0.00 C ATOM 599 O GLY A 38 45.704 31.560 68.624 1.00 0.00 O ATOM 0 H GLY A 38 44.288 31.630 65.776 1.00 0.00 H new ATOM 0 HA2 GLY A 38 47.009 30.890 66.491 1.00 0.00 H new ATOM 0 HA3 GLY A 38 46.930 32.502 65.810 1.00 0.00 H new ATOM 603 N CYS A 39 45.204 33.537 67.557 1.00 0.00 N ATOM 604 CA CYS A 39 44.528 34.097 68.721 1.00 0.00 C ATOM 605 C CYS A 39 45.491 34.409 69.900 1.00 0.00 C ATOM 606 O CYS A 39 46.689 34.633 69.745 1.00 0.00 O ATOM 607 CB CYS A 39 43.679 35.333 68.354 1.00 0.00 C ATOM 608 SG CYS A 39 42.857 36.157 69.757 1.00 0.00 S ATOM 0 H CYS A 39 45.249 34.151 66.744 1.00 0.00 H new ATOM 0 HA CYS A 39 43.853 33.316 69.072 1.00 0.00 H new ATOM 0 HB2 CYS A 39 44.320 36.058 67.853 1.00 0.00 H new ATOM 0 HB3 CYS A 39 42.918 35.030 67.635 1.00 0.00 H new ATOM 613 N PHE A 40 44.859 34.447 71.127 1.00 0.00 N ATOM 614 CA PHE A 40 45.539 34.658 72.399 1.00 0.00 C ATOM 615 C PHE A 40 46.431 35.941 72.293 1.00 0.00 C ATOM 616 O PHE A 40 47.533 35.978 72.837 1.00 0.00 O ATOM 617 CB PHE A 40 46.284 33.411 72.917 1.00 0.00 C ATOM 618 CG PHE A 40 45.426 32.160 72.850 1.00 0.00 C ATOM 619 CD1 PHE A 40 44.307 31.988 73.672 1.00 0.00 C ATOM 620 CD2 PHE A 40 45.717 31.152 71.922 1.00 0.00 C ATOM 621 CE1 PHE A 40 43.537 30.830 73.607 1.00 0.00 C ATOM 622 CE2 PHE A 40 44.958 29.987 71.843 1.00 0.00 C ATOM 623 CZ PHE A 40 43.891 29.810 72.726 1.00 0.00 C ATOM 0 H PHE A 40 43.851 34.327 71.228 1.00 0.00 H new ATOM 0 HA PHE A 40 44.790 34.830 73.172 1.00 0.00 H new ATOM 0 HB2 PHE A 40 47.189 33.260 72.329 1.00 0.00 H new ATOM 0 HB3 PHE A 40 46.598 33.579 73.947 1.00 0.00 H new ATOM 0 HD1 PHE A 40 44.036 32.767 74.369 1.00 0.00 H new ATOM 0 HD2 PHE A 40 46.552 31.282 71.250 1.00 0.00 H new ATOM 0 HE1 PHE A 40 42.667 30.722 74.238 1.00 0.00 H new ATOM 0 HE2 PHE A 40 45.192 29.231 71.108 1.00 0.00 H new ATOM 0 HZ PHE A 40 43.339 28.881 72.726 1.00 0.00 H new ATOM 633 N THR A 41 45.879 37.043 71.657 1.00 0.00 N ATOM 634 CA THR A 41 46.563 38.342 71.517 1.00 0.00 C ATOM 635 C THR A 41 46.012 39.230 72.692 1.00 0.00 C ATOM 636 O THR A 41 44.809 39.502 72.737 1.00 0.00 O ATOM 637 CB THR A 41 46.295 39.083 70.178 1.00 0.00 C ATOM 638 OG1 THR A 41 44.915 39.339 69.903 1.00 0.00 O ATOM 639 CG2 THR A 41 47.168 40.335 69.994 1.00 0.00 C ATOM 0 H THR A 41 44.950 37.029 71.237 1.00 0.00 H new ATOM 0 HA THR A 41 47.639 38.167 71.538 1.00 0.00 H new ATOM 0 HB THR A 41 46.606 38.368 69.416 1.00 0.00 H new ATOM 0 HG1 THR A 41 44.433 39.474 70.746 1.00 0.00 H new ATOM 0 HG21 THR A 41 46.932 40.806 69.040 1.00 0.00 H new ATOM 0 HG22 THR A 41 46.972 41.038 70.804 1.00 0.00 H new ATOM 0 HG23 THR A 41 48.220 40.050 70.008 1.00 0.00 H new ATOM 647 N PRO A 42 46.899 39.781 73.618 1.00 0.00 N ATOM 648 CA PRO A 42 46.394 40.674 74.685 1.00 0.00 C ATOM 649 C PRO A 42 46.116 42.034 73.960 1.00 0.00 C ATOM 650 O PRO A 42 47.011 42.852 73.751 1.00 0.00 O ATOM 651 CB PRO A 42 47.500 40.710 75.758 1.00 0.00 C ATOM 652 CG PRO A 42 48.155 39.333 75.576 1.00 0.00 C ATOM 653 CD PRO A 42 48.184 39.222 74.050 1.00 0.00 C ATOM 0 HA PRO A 42 45.477 40.374 75.192 1.00 0.00 H new ATOM 0 HB2 PRO A 42 48.205 41.524 75.592 1.00 0.00 H new ATOM 0 HB3 PRO A 42 47.093 40.841 76.761 1.00 0.00 H new ATOM 0 HG2 PRO A 42 49.153 39.291 76.011 1.00 0.00 H new ATOM 0 HG3 PRO A 42 47.572 38.535 76.036 1.00 0.00 H new ATOM 0 HD2 PRO A 42 49.021 39.778 73.627 1.00 0.00 H new ATOM 0 HD3 PRO A 42 48.294 38.186 73.729 1.00 0.00 H new ATOM 661 N ARG A 43 44.802 42.282 73.571 1.00 0.00 N ATOM 662 CA ARG A 43 44.461 43.507 72.833 1.00 0.00 C ATOM 663 C ARG A 43 44.195 44.628 73.886 1.00 0.00 C ATOM 664 O ARG A 43 43.183 44.662 74.586 1.00 0.00 O ATOM 665 CB ARG A 43 43.259 43.392 71.871 1.00 0.00 C ATOM 666 CG ARG A 43 43.018 44.708 71.096 1.00 0.00 C ATOM 667 CD ARG A 43 41.979 44.627 69.970 1.00 0.00 C ATOM 668 NE ARG A 43 41.859 45.849 69.117 1.00 0.00 N ATOM 669 CZ ARG A 43 41.553 47.079 69.512 1.00 0.00 C ATOM 670 NH1 ARG A 43 41.108 47.326 70.717 1.00 0.00 N ATOM 671 NH2 ARG A 43 41.710 48.073 68.673 1.00 0.00 N ATOM 0 H ARG A 43 44.016 41.661 73.761 1.00 0.00 H new ATOM 0 HA ARG A 43 45.306 43.730 72.181 1.00 0.00 H new ATOM 0 HB2 ARG A 43 43.435 42.581 71.165 1.00 0.00 H new ATOM 0 HB3 ARG A 43 42.364 43.134 72.437 1.00 0.00 H new ATOM 0 HG2 ARG A 43 42.703 45.474 71.804 1.00 0.00 H new ATOM 0 HG3 ARG A 43 43.966 45.038 70.670 1.00 0.00 H new ATOM 0 HD2 ARG A 43 42.228 43.781 69.330 1.00 0.00 H new ATOM 0 HD3 ARG A 43 41.005 44.416 70.412 1.00 0.00 H new ATOM 0 HE ARG A 43 42.032 45.724 68.120 1.00 0.00 H new ATOM 0 HH11 ARG A 43 40.988 46.563 71.383 1.00 0.00 H new ATOM 0 HH12 ARG A 43 40.881 48.282 70.991 1.00 0.00 H new ATOM 0 HH21 ARG A 43 42.063 47.896 67.732 1.00 0.00 H new ATOM 0 HH22 ARG A 43 41.480 49.024 68.960 1.00 0.00 H new ATOM 685 N GLY A 44 45.163 45.616 73.956 1.00 0.00 N ATOM 686 CA GLY A 44 44.984 46.810 74.785 1.00 0.00 C ATOM 687 C GLY A 44 45.672 47.948 73.984 1.00 0.00 C ATOM 688 O GLY A 44 45.153 48.472 72.999 1.00 0.00 O ATOM 0 H GLY A 44 46.047 45.584 73.448 1.00 0.00 H new ATOM 0 HA2 GLY A 44 43.928 47.024 74.950 1.00 0.00 H new ATOM 0 HA3 GLY A 44 45.441 46.684 75.767 1.00 0.00 H new ATOM 692 N ASP A 45 46.930 48.278 74.425 1.00 0.00 N ATOM 693 CA ASP A 45 47.845 49.250 73.813 1.00 0.00 C ATOM 694 C ASP A 45 48.986 48.442 73.100 1.00 0.00 C ATOM 695 O ASP A 45 50.162 48.793 73.099 1.00 0.00 O ATOM 696 CB ASP A 45 48.269 50.296 74.849 1.00 0.00 C ATOM 697 CG ASP A 45 48.731 49.820 76.258 1.00 0.00 C ATOM 698 OD1 ASP A 45 48.902 48.609 76.423 1.00 0.00 O ATOM 699 OD2 ASP A 45 48.862 50.748 77.062 1.00 0.00 O ATOM 0 H ASP A 45 47.333 47.843 75.255 1.00 0.00 H new ATOM 0 HA ASP A 45 47.380 49.853 73.033 1.00 0.00 H new ATOM 0 HB2 ASP A 45 49.082 50.878 74.415 1.00 0.00 H new ATOM 0 HB3 ASP A 45 47.430 50.977 74.991 1.00 0.00 H new ATOM 704 N MET A 46 48.525 47.347 72.389 1.00 0.00 N ATOM 705 CA MET A 46 49.336 46.427 71.595 1.00 0.00 C ATOM 706 C MET A 46 48.338 45.962 70.467 1.00 0.00 C ATOM 707 O MET A 46 47.375 45.242 70.742 1.00 0.00 O ATOM 708 CB MET A 46 49.918 45.226 72.367 1.00 0.00 C ATOM 709 CG MET A 46 50.836 44.345 71.493 1.00 0.00 C ATOM 710 SD MET A 46 51.803 43.093 72.434 1.00 0.00 S ATOM 711 CE MET A 46 51.404 41.624 71.461 1.00 0.00 C ATOM 0 H MET A 46 47.536 47.099 72.373 1.00 0.00 H new ATOM 0 HA MET A 46 50.237 46.921 71.230 1.00 0.00 H new ATOM 0 HB2 MET A 46 50.481 45.590 73.226 1.00 0.00 H new ATOM 0 HB3 MET A 46 49.101 44.618 72.756 1.00 0.00 H new ATOM 0 HG2 MET A 46 50.227 43.832 70.749 1.00 0.00 H new ATOM 0 HG3 MET A 46 51.528 44.989 70.950 1.00 0.00 H new ATOM 0 HE1 MET A 46 51.908 40.757 71.888 1.00 0.00 H new ATOM 0 HE2 MET A 46 50.326 41.461 71.474 1.00 0.00 H new ATOM 0 HE3 MET A 46 51.737 41.767 70.433 1.00 0.00 H new ATOM 721 N PRO A 47 48.580 46.347 69.143 1.00 0.00 N ATOM 722 CA PRO A 47 47.556 46.056 68.120 1.00 0.00 C ATOM 723 C PRO A 47 47.342 44.549 67.746 1.00 0.00 C ATOM 724 O PRO A 47 48.237 43.713 67.829 1.00 0.00 O ATOM 725 CB PRO A 47 48.008 46.857 66.885 1.00 0.00 C ATOM 726 CG PRO A 47 48.606 48.113 67.538 1.00 0.00 C ATOM 727 CD PRO A 47 49.374 47.510 68.719 1.00 0.00 C ATOM 0 HA PRO A 47 46.581 46.336 68.519 1.00 0.00 H new ATOM 0 HB2 PRO A 47 48.743 46.314 66.290 1.00 0.00 H new ATOM 0 HB3 PRO A 47 47.175 47.095 66.223 1.00 0.00 H new ATOM 0 HG2 PRO A 47 49.262 48.656 66.857 1.00 0.00 H new ATOM 0 HG3 PRO A 47 47.836 48.812 67.864 1.00 0.00 H new ATOM 0 HD2 PRO A 47 50.380 47.213 68.424 1.00 0.00 H new ATOM 0 HD3 PRO A 47 49.479 48.231 69.529 1.00 0.00 H new ATOM 735 N GLY A 48 46.070 44.247 67.270 1.00 0.00 N ATOM 736 CA GLY A 48 45.697 42.883 66.878 1.00 0.00 C ATOM 737 C GLY A 48 44.321 42.833 66.127 1.00 0.00 C ATOM 738 O GLY A 48 43.578 43.813 66.128 1.00 0.00 O ATOM 0 H GLY A 48 45.325 44.935 67.162 1.00 0.00 H new ATOM 0 HA2 GLY A 48 46.474 42.467 66.236 1.00 0.00 H new ATOM 0 HA3 GLY A 48 45.646 42.253 67.766 1.00 0.00 H new ATOM 742 N PRO A 49 43.993 41.627 65.513 1.00 0.00 N ATOM 743 CA PRO A 49 42.680 41.343 64.895 1.00 0.00 C ATOM 744 C PRO A 49 41.570 41.186 66.004 1.00 0.00 C ATOM 745 O PRO A 49 41.796 41.467 67.181 1.00 0.00 O ATOM 746 CB PRO A 49 42.920 40.001 64.173 1.00 0.00 C ATOM 747 CG PRO A 49 43.887 39.289 65.120 1.00 0.00 C ATOM 748 CD PRO A 49 44.843 40.432 65.466 1.00 0.00 C ATOM 0 HA PRO A 49 42.334 42.134 64.230 1.00 0.00 H new ATOM 0 HB2 PRO A 49 41.995 39.440 64.039 1.00 0.00 H new ATOM 0 HB3 PRO A 49 43.352 40.144 63.183 1.00 0.00 H new ATOM 0 HG2 PRO A 49 43.384 38.890 66.001 1.00 0.00 H new ATOM 0 HG3 PRO A 49 44.397 38.455 64.639 1.00 0.00 H new ATOM 0 HD2 PRO A 49 45.337 40.259 66.422 1.00 0.00 H new ATOM 0 HD3 PRO A 49 45.627 40.533 64.716 1.00 0.00 H new ATOM 756 N TYR A 50 40.330 40.737 65.571 1.00 0.00 N ATOM 757 CA TYR A 50 39.212 40.500 66.516 1.00 0.00 C ATOM 758 C TYR A 50 38.994 38.937 66.610 1.00 0.00 C ATOM 759 O TYR A 50 38.913 38.240 65.598 1.00 0.00 O ATOM 760 CB TYR A 50 37.885 41.303 66.230 1.00 0.00 C ATOM 761 CG TYR A 50 36.807 40.567 65.455 1.00 0.00 C ATOM 762 CD1 TYR A 50 36.029 39.594 66.085 1.00 0.00 C ATOM 763 CD2 TYR A 50 36.481 40.893 64.141 1.00 0.00 C ATOM 764 CE1 TYR A 50 34.982 38.963 65.436 1.00 0.00 C ATOM 765 CE2 TYR A 50 35.416 40.294 63.477 1.00 0.00 C ATOM 766 CZ TYR A 50 34.642 39.320 64.117 1.00 0.00 C ATOM 767 OH TYR A 50 33.580 38.700 63.531 1.00 0.00 O ATOM 0 H TYR A 50 40.104 40.543 64.595 1.00 0.00 H new ATOM 0 HA TYR A 50 39.500 40.908 67.485 1.00 0.00 H new ATOM 0 HB2 TYR A 50 37.464 41.620 67.184 1.00 0.00 H new ATOM 0 HB3 TYR A 50 38.144 42.208 65.680 1.00 0.00 H new ATOM 0 HD1 TYR A 50 36.250 39.326 67.108 1.00 0.00 H new ATOM 0 HD2 TYR A 50 37.073 41.633 63.622 1.00 0.00 H new ATOM 0 HE1 TYR A 50 34.422 38.192 65.944 1.00 0.00 H new ATOM 0 HE2 TYR A 50 35.185 40.582 62.462 1.00 0.00 H new ATOM 0 HH TYR A 50 33.460 39.046 62.622 1.00 0.00 H new ATOM 777 N CYS A 51 38.902 38.372 67.883 1.00 0.00 N ATOM 778 CA CYS A 51 38.967 36.907 68.071 1.00 0.00 C ATOM 779 C CYS A 51 37.724 36.196 68.703 1.00 0.00 C ATOM 780 O CYS A 51 36.811 36.806 69.248 1.00 0.00 O ATOM 781 CB CYS A 51 40.156 36.569 68.999 1.00 0.00 C ATOM 782 SG CYS A 51 41.718 37.388 68.556 1.00 0.00 S ATOM 0 H CYS A 51 38.788 38.908 68.743 1.00 0.00 H new ATOM 0 HA CYS A 51 39.047 36.536 67.049 1.00 0.00 H new ATOM 0 HB2 CYS A 51 39.893 36.845 70.020 1.00 0.00 H new ATOM 0 HB3 CYS A 51 40.311 35.490 68.991 1.00 0.00 H new ATOM 787 N CYS A 52 37.815 34.819 68.633 1.00 0.00 N ATOM 788 CA CYS A 52 36.866 33.871 69.195 1.00 0.00 C ATOM 789 C CYS A 52 37.625 32.641 69.821 1.00 0.00 C ATOM 790 O CYS A 52 38.769 32.355 69.467 1.00 0.00 O ATOM 791 CB CYS A 52 35.940 33.354 68.099 1.00 0.00 C ATOM 792 SG CYS A 52 34.311 32.851 68.712 1.00 0.00 S ATOM 0 H CYS A 52 38.591 34.356 68.160 1.00 0.00 H new ATOM 0 HA CYS A 52 36.291 34.382 69.967 1.00 0.00 H new ATOM 0 HB2 CYS A 52 35.812 34.131 67.345 1.00 0.00 H new ATOM 0 HB3 CYS A 52 36.412 32.505 67.605 1.00 0.00 H new ATOM 797 N GLU A 53 36.931 31.870 70.737 1.00 0.00 N ATOM 798 CA GLU A 53 37.481 30.594 71.226 1.00 0.00 C ATOM 799 C GLU A 53 36.307 29.561 71.198 1.00 0.00 C ATOM 800 O GLU A 53 35.999 28.878 72.169 1.00 0.00 O ATOM 801 CB GLU A 53 38.268 30.723 72.541 1.00 0.00 C ATOM 802 CG GLU A 53 37.511 31.206 73.793 1.00 0.00 C ATOM 803 CD GLU A 53 38.523 31.514 74.897 1.00 0.00 C ATOM 804 OE1 GLU A 53 39.345 32.410 74.870 1.00 0.00 O ATOM 805 OE2 GLU A 53 38.398 30.680 75.927 1.00 0.00 O ATOM 0 H GLU A 53 36.022 32.120 71.126 1.00 0.00 H new ATOM 0 HA GLU A 53 38.271 30.220 70.574 1.00 0.00 H new ATOM 0 HB2 GLU A 53 38.701 29.749 72.768 1.00 0.00 H new ATOM 0 HB3 GLU A 53 39.098 31.408 72.368 1.00 0.00 H new ATOM 0 HG2 GLU A 53 36.926 32.095 73.560 1.00 0.00 H new ATOM 0 HG3 GLU A 53 36.810 30.442 74.127 1.00 0.00 H new ATOM 813 N SER A 54 35.687 29.462 69.968 1.00 0.00 N ATOM 814 CA SER A 54 34.569 28.591 69.613 1.00 0.00 C ATOM 815 C SER A 54 34.675 28.297 68.078 1.00 0.00 C ATOM 816 O SER A 54 35.324 29.056 67.353 1.00 0.00 O ATOM 817 CB SER A 54 33.163 29.182 69.896 1.00 0.00 C ATOM 818 OG SER A 54 32.068 28.320 69.601 1.00 0.00 O ATOM 0 H SER A 54 35.991 30.029 69.177 1.00 0.00 H new ATOM 0 HA SER A 54 34.652 27.702 70.238 1.00 0.00 H new ATOM 0 HB2 SER A 54 33.110 29.462 70.948 1.00 0.00 H new ATOM 0 HB3 SER A 54 33.049 30.098 69.316 1.00 0.00 H new ATOM 0 HG SER A 54 31.227 28.776 69.812 1.00 0.00 H new ATOM 824 N ASP A 55 34.059 27.157 67.567 1.00 0.00 N ATOM 825 CA ASP A 55 34.238 26.912 66.132 1.00 0.00 C ATOM 826 C ASP A 55 33.339 27.903 65.293 1.00 0.00 C ATOM 827 O ASP A 55 32.211 28.241 65.650 1.00 0.00 O ATOM 828 CB ASP A 55 34.092 25.453 65.667 1.00 0.00 C ATOM 829 CG ASP A 55 32.733 24.738 65.617 1.00 0.00 C ATOM 830 OD1 ASP A 55 31.784 25.207 66.246 1.00 0.00 O ATOM 831 OD2 ASP A 55 32.740 23.747 64.873 1.00 0.00 O ATOM 0 H ASP A 55 33.500 26.480 68.086 1.00 0.00 H new ATOM 0 HA ASP A 55 35.291 27.118 65.938 1.00 0.00 H new ATOM 0 HB2 ASP A 55 34.509 25.402 64.661 1.00 0.00 H new ATOM 0 HB3 ASP A 55 34.737 24.854 66.310 1.00 0.00 H new ATOM 836 N LYS A 56 33.914 28.395 64.129 1.00 0.00 N ATOM 837 CA LYS A 56 33.261 29.279 63.168 1.00 0.00 C ATOM 838 C LYS A 56 33.206 30.752 63.743 1.00 0.00 C ATOM 839 O LYS A 56 34.091 31.556 63.452 1.00 0.00 O ATOM 840 CB LYS A 56 31.921 28.812 62.553 1.00 0.00 C ATOM 841 CG LYS A 56 32.077 27.511 61.725 1.00 0.00 C ATOM 842 CD LYS A 56 31.961 26.177 62.490 1.00 0.00 C ATOM 843 CE LYS A 56 30.564 25.862 63.043 1.00 0.00 C ATOM 844 NZ LYS A 56 30.640 24.707 64.051 1.00 0.00 N ATOM 0 H LYS A 56 34.869 28.161 63.859 1.00 0.00 H new ATOM 0 HA LYS A 56 33.902 29.246 62.287 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.195 28.648 63.350 1.00 0.00 H new ATOM 0 HB3 LYS A 56 31.522 29.601 61.915 1.00 0.00 H new ATOM 0 HG2 LYS A 56 31.322 27.517 60.938 1.00 0.00 H new ATOM 0 HG3 LYS A 56 33.050 27.537 61.234 1.00 0.00 H new ATOM 0 HD2 LYS A 56 32.262 25.368 61.825 1.00 0.00 H new ATOM 0 HD3 LYS A 56 32.669 26.189 63.319 1.00 0.00 H new ATOM 0 HE2 LYS A 56 30.147 26.747 63.524 1.00 0.00 H new ATOM 0 HE3 LYS A 56 29.893 25.597 62.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 29.815 24.086 63.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 31.511 24.162 63.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 30.646 25.090 65.018 1.00 0.00 H new ATOM 858 N CYS A 57 32.103 31.109 64.501 1.00 0.00 N ATOM 859 CA CYS A 57 31.836 32.403 65.145 1.00 0.00 C ATOM 860 C CYS A 57 31.286 33.477 64.141 1.00 0.00 C ATOM 861 O CYS A 57 30.397 34.234 64.525 1.00 0.00 O ATOM 862 CB CYS A 57 32.981 33.015 65.984 1.00 0.00 C ATOM 863 SG CYS A 57 33.745 31.760 67.064 1.00 0.00 S ATOM 0 H CYS A 57 31.349 30.443 64.672 1.00 0.00 H new ATOM 0 HA CYS A 57 31.065 32.134 65.866 1.00 0.00 H new ATOM 0 HB2 CYS A 57 33.736 33.438 65.321 1.00 0.00 H new ATOM 0 HB3 CYS A 57 32.594 33.834 66.590 1.00 0.00 H new ATOM 868 N ASN A 58 31.836 33.575 62.870 1.00 0.00 N ATOM 869 CA ASN A 58 31.412 34.572 61.879 1.00 0.00 C ATOM 870 C ASN A 58 32.193 34.109 60.606 1.00 0.00 C ATOM 871 O ASN A 58 33.193 34.698 60.206 1.00 0.00 O ATOM 872 CB ASN A 58 31.717 36.022 62.306 1.00 0.00 C ATOM 873 CG ASN A 58 31.596 37.039 61.177 1.00 0.00 C ATOM 874 OD1 ASN A 58 32.551 37.637 60.715 1.00 0.00 O ATOM 875 ND2 ASN A 58 30.335 37.280 60.755 1.00 0.00 N ATOM 0 H ASN A 58 32.576 32.958 62.536 1.00 0.00 H new ATOM 0 HA ASN A 58 30.333 34.610 61.728 1.00 0.00 H new ATOM 0 HB2 ASN A 58 31.037 36.304 63.110 1.00 0.00 H new ATOM 0 HB3 ASN A 58 32.727 36.065 62.713 1.00 0.00 H new ATOM 0 HD21 ASN A 58 30.164 37.978 60.031 1.00 0.00 H new ATOM 0 HD22 ASN A 58 29.554 36.764 61.160 1.00 0.00 H new ATOM 882 N LEU A 59 31.711 32.947 60.016 1.00 0.00 N ATOM 883 CA LEU A 59 32.361 32.203 58.923 1.00 0.00 C ATOM 884 C LEU A 59 33.807 31.815 59.470 1.00 0.00 C ATOM 885 O LEU A 59 34.772 32.487 59.078 1.00 0.00 O ATOM 886 CB LEU A 59 32.364 32.834 57.501 1.00 0.00 C ATOM 887 CG LEU A 59 31.233 32.386 56.543 1.00 0.00 C ATOM 888 CD1 LEU A 59 29.846 32.851 57.012 1.00 0.00 C ATOM 889 CD2 LEU A 59 31.508 32.871 55.111 1.00 0.00 C ATOM 890 OXT LEU A 59 33.824 30.908 60.311 1.00 0.00 O ATOM 0 H LEU A 59 30.837 32.515 60.315 1.00 0.00 H new ATOM 0 HA LEU A 59 31.748 31.330 58.699 1.00 0.00 H new ATOM 0 HB2 LEU A 59 32.311 33.917 57.609 1.00 0.00 H new ATOM 0 HB3 LEU A 59 33.320 32.607 57.029 1.00 0.00 H new ATOM 0 HG LEU A 59 31.225 31.296 56.552 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.090 32.510 56.305 1.00 0.00 H new ATOM 0 HD12 LEU A 59 29.636 32.434 57.997 1.00 0.00 H new ATOM 0 HD13 LEU A 59 29.827 33.939 57.068 1.00 0.00 H new ATOM 0 HD21 LEU A 59 30.701 32.545 54.455 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.567 33.959 55.100 1.00 0.00 H new ATOM 0 HD23 LEU A 59 32.452 32.453 54.760 1.00 0.00 H new TER 902 LEU A 59