USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 541 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 52 THR OG1 : rot -130:sc= 0.508 USER MOD Set 1.2: A 85 CYS SG : rot -40:sc= -2.13! USER MOD Set 2.1: A 47 CYS SG : rot 88:sc= 0.589 USER MOD Set 2.2: A 77 CYS SG : rot 114:sc= -0.334! USER MOD Set 3.1: A 39 CYS SG : rot -86:sc= -2.98! USER MOD Set 3.2: A 44 CYS SG : rot 128:sc= -0.516 USER MOD Set 3.3: A 46 THR OG1 : rot 180:sc= 1.14 USER MOD Single : A 2 SER OG : rot -161:sc= -2.34! USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -15:sc= 0.733 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -130:sc= -3.36! USER MOD Single : A 14 SER OG : rot 150:sc= -6.6! USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 88:sc= -2.54! USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 36:sc= 1.04 USER MOD Single : A 23 TYR OH : rot -42:sc= -13! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -45:sc= -2.25! USER MOD Single : A 58 GLN : amide:sc= -8.32! C(o=-8.3!,f=-10!) USER MOD Single : A 59 SER OG : rot -156:sc= 1.07 USER MOD Single : A 68 GLN : amide:sc= -5.93! C(o=-5.9!,f=-16!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 150:sc= -2.23! USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -67:sc= -0.105 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -42:sc= 0.179! USER MOD Single : A 89 THR OG1 : rot 180:sc= -1.38 USER MOD ----------------------------------------------------------------- ATOM 13 N SER A 2 12.421 -2.579 -6.049 1.00 0.00 N ATOM 14 CA SER A 2 12.360 -4.044 -6.290 1.00 0.00 C ATOM 15 C SER A 2 10.899 -4.504 -6.363 1.00 0.00 C ATOM 16 O SER A 2 10.599 -5.533 -6.933 1.00 0.00 O ATOM 17 CB SER A 2 13.082 -4.775 -5.163 1.00 0.00 C ATOM 18 OG SER A 2 13.448 -3.845 -4.155 1.00 0.00 O ATOM 0 HA SER A 2 12.847 -4.273 -7.238 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.437 -5.547 -4.744 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.969 -5.276 -5.550 1.00 0.00 H new ATOM 0 HG SER A 2 14.156 -4.229 -3.597 1.00 0.00 H new ATOM 24 N TYR A 3 9.980 -3.745 -5.815 1.00 0.00 N ATOM 25 CA TYR A 3 8.537 -4.141 -5.888 1.00 0.00 C ATOM 26 C TYR A 3 8.321 -5.666 -5.702 1.00 0.00 C ATOM 27 O TYR A 3 8.236 -6.394 -6.670 1.00 0.00 O ATOM 28 CB TYR A 3 7.954 -3.736 -7.239 1.00 0.00 C ATOM 29 CG TYR A 3 9.034 -3.792 -8.267 1.00 0.00 C ATOM 30 CD1 TYR A 3 9.864 -2.691 -8.451 1.00 0.00 C ATOM 31 CD2 TYR A 3 9.214 -4.952 -9.015 1.00 0.00 C ATOM 32 CE1 TYR A 3 10.886 -2.742 -9.398 1.00 0.00 C ATOM 33 CE2 TYR A 3 10.234 -5.012 -9.965 1.00 0.00 C ATOM 34 CZ TYR A 3 11.074 -3.905 -10.160 1.00 0.00 C ATOM 35 OH TYR A 3 12.084 -3.961 -11.099 1.00 0.00 O ATOM 0 H TYR A 3 10.165 -2.872 -5.322 1.00 0.00 H new ATOM 0 HA TYR A 3 8.033 -3.624 -5.071 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.138 -4.404 -7.513 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.538 -2.730 -7.184 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.717 -1.798 -7.861 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.566 -5.802 -8.861 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.531 -1.888 -9.545 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.377 -5.909 -10.549 1.00 0.00 H new ATOM 0 HH TYR A 3 12.076 -4.838 -11.537 1.00 0.00 H new ATOM 45 N THR A 4 8.211 -6.167 -4.480 1.00 0.00 N ATOM 46 CA THR A 4 7.983 -7.620 -4.295 1.00 0.00 C ATOM 47 C THR A 4 7.249 -7.947 -2.958 1.00 0.00 C ATOM 48 O THR A 4 6.482 -8.878 -2.889 1.00 0.00 O ATOM 49 CB THR A 4 9.337 -8.333 -4.309 1.00 0.00 C ATOM 50 OG1 THR A 4 9.960 -8.134 -5.571 1.00 0.00 O ATOM 51 CG2 THR A 4 9.136 -9.829 -4.069 1.00 0.00 C ATOM 0 H THR A 4 8.271 -5.623 -3.619 1.00 0.00 H new ATOM 0 HA THR A 4 7.344 -7.963 -5.109 1.00 0.00 H new ATOM 0 HB THR A 4 9.969 -7.925 -3.520 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.297 -7.810 -6.216 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.103 -10.332 -4.080 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.658 -9.981 -3.101 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.503 -10.242 -4.855 1.00 0.00 H new ATOM 59 N VAL A 5 7.501 -7.226 -1.893 1.00 0.00 N ATOM 60 CA VAL A 5 6.868 -7.564 -0.558 1.00 0.00 C ATOM 61 C VAL A 5 5.363 -7.880 -0.657 1.00 0.00 C ATOM 62 O VAL A 5 4.760 -7.821 -1.706 1.00 0.00 O ATOM 63 CB VAL A 5 7.114 -6.429 0.446 1.00 0.00 C ATOM 64 CG1 VAL A 5 6.886 -6.926 1.869 1.00 0.00 C ATOM 65 CG2 VAL A 5 8.562 -5.976 0.328 1.00 0.00 C ATOM 0 H VAL A 5 8.118 -6.414 -1.880 1.00 0.00 H new ATOM 0 HA VAL A 5 7.349 -8.477 -0.207 1.00 0.00 H new ATOM 0 HB VAL A 5 6.429 -5.609 0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.064 -6.112 2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.859 -7.276 1.972 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.572 -7.746 2.082 1.00 0.00 H new ATOM 0 HG21 VAL A 5 8.750 -5.169 1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.224 -6.813 0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.751 -5.620 -0.685 1.00 0.00 H new ATOM 75 N LYS A 6 4.775 -8.260 0.459 1.00 0.00 N ATOM 76 CA LYS A 6 3.330 -8.638 0.496 1.00 0.00 C ATOM 77 C LYS A 6 2.428 -7.441 0.196 1.00 0.00 C ATOM 78 O LYS A 6 2.367 -6.465 0.935 1.00 0.00 O ATOM 79 CB LYS A 6 2.988 -9.183 1.884 1.00 0.00 C ATOM 80 CG LYS A 6 2.972 -10.712 1.843 1.00 0.00 C ATOM 81 CD LYS A 6 4.382 -11.245 2.102 1.00 0.00 C ATOM 82 CE LYS A 6 4.305 -12.717 2.513 1.00 0.00 C ATOM 83 NZ LYS A 6 5.147 -12.940 3.721 1.00 0.00 N ATOM 0 H LYS A 6 5.250 -8.323 1.359 1.00 0.00 H new ATOM 0 HA LYS A 6 3.159 -9.396 -0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.720 -8.836 2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.016 -8.807 2.205 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.282 -11.099 2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.614 -11.056 0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.993 -11.138 1.205 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.864 -10.662 2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.271 -12.994 2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.647 -13.352 1.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.095 -13.940 4.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.134 -12.691 3.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.801 -12.344 4.500 1.00 0.00 H new ATOM 97 N LEU A 7 1.716 -7.517 -0.884 1.00 0.00 N ATOM 98 CA LEU A 7 0.812 -6.410 -1.252 1.00 0.00 C ATOM 99 C LEU A 7 -0.453 -6.980 -1.857 1.00 0.00 C ATOM 100 O LEU A 7 -0.387 -7.852 -2.672 1.00 0.00 O ATOM 101 CB LEU A 7 1.505 -5.577 -2.314 1.00 0.00 C ATOM 102 CG LEU A 7 1.000 -4.157 -2.261 1.00 0.00 C ATOM 103 CD1 LEU A 7 -0.503 -4.128 -2.531 1.00 0.00 C ATOM 104 CD2 LEU A 7 1.335 -3.584 -0.890 1.00 0.00 C ATOM 0 H LEU A 7 1.723 -8.305 -1.531 1.00 0.00 H new ATOM 0 HA LEU A 7 0.570 -5.813 -0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.583 -5.595 -2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.320 -6.002 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 7 1.478 -3.548 -3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.860 -3.099 -2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.703 -4.543 -3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.020 -4.721 -1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.979 -2.556 -0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.852 -4.182 -0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.415 -3.603 -0.742 1.00 0.00 H new ATOM 116 N ILE A 8 -1.603 -6.487 -1.521 1.00 0.00 N ATOM 117 CA ILE A 8 -2.806 -7.042 -2.186 1.00 0.00 C ATOM 118 C ILE A 8 -3.948 -6.045 -2.127 1.00 0.00 C ATOM 119 O ILE A 8 -4.196 -5.393 -1.123 1.00 0.00 O ATOM 120 CB ILE A 8 -3.213 -8.386 -1.575 1.00 0.00 C ATOM 121 CG1 ILE A 8 -2.354 -9.483 -2.196 1.00 0.00 C ATOM 122 CG2 ILE A 8 -4.685 -8.673 -1.901 1.00 0.00 C ATOM 123 CD1 ILE A 8 -1.223 -9.860 -1.238 1.00 0.00 C ATOM 0 H ILE A 8 -1.763 -5.747 -0.837 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.562 -7.224 -3.233 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.075 -8.356 -0.494 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.966 -10.358 -2.413 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.940 -9.141 -3.145 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.974 -9.630 -1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.310 -7.882 -1.487 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.817 -8.711 -2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.613 -10.644 -1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.604 -8.984 -1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.646 -10.221 -0.300 1.00 0.00 H new ATOM 135 N THR A 9 -4.619 -5.907 -3.233 1.00 0.00 N ATOM 136 CA THR A 9 -5.734 -4.948 -3.335 1.00 0.00 C ATOM 137 C THR A 9 -6.787 -5.584 -4.241 1.00 0.00 C ATOM 138 O THR A 9 -6.677 -6.764 -4.527 1.00 0.00 O ATOM 139 CB THR A 9 -5.171 -3.680 -3.972 1.00 0.00 C ATOM 140 OG1 THR A 9 -5.378 -3.712 -5.374 1.00 0.00 O ATOM 141 CG2 THR A 9 -3.671 -3.560 -3.694 1.00 0.00 C ATOM 0 H THR A 9 -4.432 -6.434 -4.086 1.00 0.00 H new ATOM 0 HA THR A 9 -6.181 -4.706 -2.371 1.00 0.00 H new ATOM 0 HB THR A 9 -5.686 -2.822 -3.540 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.537 -3.509 -5.834 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.287 -2.650 -4.156 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.502 -3.520 -2.618 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.154 -4.424 -4.110 1.00 0.00 H new ATOM 149 N PRO A 10 -7.756 -4.824 -4.734 1.00 0.00 N ATOM 150 CA PRO A 10 -8.729 -5.397 -5.652 1.00 0.00 C ATOM 151 C PRO A 10 -7.958 -6.248 -6.664 1.00 0.00 C ATOM 152 O PRO A 10 -8.443 -7.230 -7.189 1.00 0.00 O ATOM 153 CB PRO A 10 -9.429 -4.194 -6.288 1.00 0.00 C ATOM 154 CG PRO A 10 -9.063 -2.961 -5.432 1.00 0.00 C ATOM 155 CD PRO A 10 -7.976 -3.400 -4.439 1.00 0.00 C ATOM 0 HA PRO A 10 -9.472 -6.046 -5.188 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.104 -4.059 -7.320 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.509 -4.342 -6.311 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.702 -2.149 -6.063 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.939 -2.587 -4.902 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.061 -2.822 -4.572 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.299 -3.254 -3.408 1.00 0.00 H new ATOM 163 N ASP A 11 -6.711 -5.897 -6.856 1.00 0.00 N ATOM 164 CA ASP A 11 -5.816 -6.677 -7.727 1.00 0.00 C ATOM 165 C ASP A 11 -5.093 -7.654 -6.804 1.00 0.00 C ATOM 166 O ASP A 11 -3.904 -7.559 -6.575 1.00 0.00 O ATOM 167 CB ASP A 11 -4.809 -5.749 -8.411 1.00 0.00 C ATOM 168 CG ASP A 11 -4.056 -6.520 -9.496 1.00 0.00 C ATOM 169 OD1 ASP A 11 -3.383 -7.478 -9.155 1.00 0.00 O ATOM 170 OD2 ASP A 11 -4.163 -6.138 -10.650 1.00 0.00 O ATOM 0 H ASP A 11 -6.277 -5.079 -6.429 1.00 0.00 H new ATOM 0 HA ASP A 11 -6.365 -7.197 -8.512 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.326 -4.895 -8.849 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.106 -5.354 -7.677 1.00 0.00 H new ATOM 175 N GLY A 12 -5.856 -8.548 -6.240 1.00 0.00 N ATOM 176 CA GLY A 12 -5.350 -9.580 -5.278 1.00 0.00 C ATOM 177 C GLY A 12 -3.837 -9.497 -5.042 1.00 0.00 C ATOM 178 O GLY A 12 -3.324 -8.514 -4.558 1.00 0.00 O ATOM 0 H GLY A 12 -6.859 -8.611 -6.413 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.867 -9.463 -4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.598 -10.572 -5.656 1.00 0.00 H new ATOM 182 N GLU A 13 -3.137 -10.555 -5.346 1.00 0.00 N ATOM 183 CA GLU A 13 -1.661 -10.607 -5.110 1.00 0.00 C ATOM 184 C GLU A 13 -0.918 -9.421 -5.740 1.00 0.00 C ATOM 185 O GLU A 13 -1.045 -9.138 -6.915 1.00 0.00 O ATOM 186 CB GLU A 13 -1.110 -11.909 -5.693 1.00 0.00 C ATOM 187 CG GLU A 13 0.401 -11.971 -5.464 1.00 0.00 C ATOM 188 CD GLU A 13 0.683 -12.425 -4.030 1.00 0.00 C ATOM 189 OE1 GLU A 13 -0.198 -13.019 -3.432 1.00 0.00 O ATOM 190 OE2 GLU A 13 1.778 -12.170 -3.554 1.00 0.00 O ATOM 0 H GLU A 13 -3.530 -11.402 -5.756 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.499 -10.557 -4.033 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.595 -12.764 -5.223 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.330 -11.964 -6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.859 -12.662 -6.172 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.847 -10.992 -5.641 1.00 0.00 H new ATOM 197 N SER A 14 -0.109 -8.755 -4.953 1.00 0.00 N ATOM 198 CA SER A 14 0.698 -7.617 -5.444 1.00 0.00 C ATOM 199 C SER A 14 2.047 -7.673 -4.708 1.00 0.00 C ATOM 200 O SER A 14 2.102 -7.846 -3.507 1.00 0.00 O ATOM 201 CB SER A 14 -0.030 -6.311 -5.129 1.00 0.00 C ATOM 202 OG SER A 14 0.887 -5.229 -5.215 1.00 0.00 O ATOM 0 H SER A 14 0.022 -8.967 -3.964 1.00 0.00 H new ATOM 0 HA SER A 14 0.852 -7.669 -6.522 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.852 -6.162 -5.829 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.465 -6.356 -4.131 1.00 0.00 H new ATOM 0 HG SER A 14 0.411 -4.418 -5.492 1.00 0.00 H new ATOM 208 N SER A 15 3.133 -7.579 -5.418 1.00 0.00 N ATOM 209 CA SER A 15 4.472 -7.672 -4.772 1.00 0.00 C ATOM 210 C SER A 15 5.183 -6.310 -4.815 1.00 0.00 C ATOM 211 O SER A 15 5.341 -5.720 -5.866 1.00 0.00 O ATOM 212 CB SER A 15 5.285 -8.704 -5.543 1.00 0.00 C ATOM 213 OG SER A 15 4.401 -9.538 -6.281 1.00 0.00 O ATOM 0 H SER A 15 3.152 -7.440 -6.428 1.00 0.00 H new ATOM 0 HA SER A 15 4.367 -7.965 -3.727 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.982 -8.206 -6.217 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.881 -9.304 -4.855 1.00 0.00 H new ATOM 0 HG SER A 15 4.919 -10.203 -6.781 1.00 0.00 H new ATOM 219 N ILE A 16 5.606 -5.794 -3.678 1.00 0.00 N ATOM 220 CA ILE A 16 6.285 -4.465 -3.675 1.00 0.00 C ATOM 221 C ILE A 16 7.333 -4.361 -2.536 1.00 0.00 C ATOM 222 O ILE A 16 7.081 -4.758 -1.440 1.00 0.00 O ATOM 223 CB ILE A 16 5.271 -3.352 -3.517 1.00 0.00 C ATOM 224 CG1 ILE A 16 3.932 -3.958 -3.122 1.00 0.00 C ATOM 225 CG2 ILE A 16 5.158 -2.553 -4.830 1.00 0.00 C ATOM 226 CD1 ILE A 16 3.180 -4.443 -4.365 1.00 0.00 C ATOM 0 H ILE A 16 5.509 -6.236 -2.764 1.00 0.00 H new ATOM 0 HA ILE A 16 6.798 -4.364 -4.631 1.00 0.00 H new ATOM 0 HB ILE A 16 5.589 -2.662 -2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.090 -4.791 -2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.333 -3.218 -2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.426 -1.754 -4.708 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.128 -2.122 -5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.840 -3.217 -5.634 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.224 -4.874 -4.067 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.005 -3.602 -5.036 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.775 -5.199 -4.878 1.00 0.00 H new ATOM 238 N GLU A 17 8.520 -3.844 -2.814 1.00 0.00 N ATOM 239 CA GLU A 17 9.595 -3.717 -1.795 1.00 0.00 C ATOM 240 C GLU A 17 10.567 -2.659 -2.302 1.00 0.00 C ATOM 241 O GLU A 17 11.765 -2.809 -2.202 1.00 0.00 O ATOM 242 CB GLU A 17 10.329 -5.065 -1.631 1.00 0.00 C ATOM 243 CG GLU A 17 11.413 -5.254 -2.700 1.00 0.00 C ATOM 244 CD GLU A 17 12.793 -5.157 -2.048 1.00 0.00 C ATOM 245 OE1 GLU A 17 12.883 -4.568 -0.983 1.00 0.00 O ATOM 246 OE2 GLU A 17 13.736 -5.674 -2.624 1.00 0.00 O ATOM 0 H GLU A 17 8.781 -3.499 -3.738 1.00 0.00 H new ATOM 0 HA GLU A 17 9.181 -3.436 -0.827 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.782 -5.115 -0.641 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.609 -5.881 -1.694 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.295 -6.223 -3.185 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.311 -4.495 -3.475 1.00 0.00 H new ATOM 253 N CYS A 18 10.030 -1.617 -2.879 1.00 0.00 N ATOM 254 CA CYS A 18 10.857 -0.526 -3.468 1.00 0.00 C ATOM 255 C CYS A 18 12.263 -0.498 -2.887 1.00 0.00 C ATOM 256 O CYS A 18 13.227 -0.355 -3.612 1.00 0.00 O ATOM 257 CB CYS A 18 10.180 0.820 -3.215 1.00 0.00 C ATOM 258 SG CYS A 18 10.440 1.892 -4.651 1.00 0.00 S ATOM 0 H CYS A 18 9.024 -1.474 -2.968 1.00 0.00 H new ATOM 0 HA CYS A 18 10.941 -0.716 -4.538 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.114 0.678 -3.040 1.00 0.00 H new ATOM 0 HB3 CYS A 18 10.591 1.285 -2.319 1.00 0.00 H new ATOM 0 HG CYS A 18 9.495 1.690 -5.520 1.00 0.00 H new ATOM 264 N SER A 19 12.398 -0.609 -1.591 1.00 0.00 N ATOM 265 CA SER A 19 13.766 -0.551 -0.996 1.00 0.00 C ATOM 266 C SER A 19 14.467 0.627 -1.653 1.00 0.00 C ATOM 267 O SER A 19 15.666 0.642 -1.850 1.00 0.00 O ATOM 268 CB SER A 19 14.523 -1.844 -1.304 1.00 0.00 C ATOM 269 OG SER A 19 15.208 -2.278 -0.136 1.00 0.00 O ATOM 0 H SER A 19 11.633 -0.735 -0.928 1.00 0.00 H new ATOM 0 HA SER A 19 13.724 -0.436 0.087 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.829 -2.614 -1.639 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.232 -1.679 -2.115 1.00 0.00 H new ATOM 0 HG SER A 19 15.693 -3.107 -0.330 1.00 0.00 H new ATOM 275 N ASP A 20 13.685 1.595 -2.044 1.00 0.00 N ATOM 276 CA ASP A 20 14.230 2.768 -2.751 1.00 0.00 C ATOM 277 C ASP A 20 13.152 3.854 -2.798 1.00 0.00 C ATOM 278 O ASP A 20 12.762 4.315 -3.852 1.00 0.00 O ATOM 279 CB ASP A 20 14.575 2.327 -4.177 1.00 0.00 C ATOM 280 CG ASP A 20 15.748 3.153 -4.709 1.00 0.00 C ATOM 281 OD1 ASP A 20 16.876 2.819 -4.387 1.00 0.00 O ATOM 282 OD2 ASP A 20 15.498 4.106 -5.428 1.00 0.00 O ATOM 0 H ASP A 20 12.676 1.615 -1.897 1.00 0.00 H new ATOM 0 HA ASP A 20 15.115 3.158 -2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.831 1.268 -4.187 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.708 2.452 -4.825 1.00 0.00 H new ATOM 287 N ASP A 21 12.653 4.249 -1.661 1.00 0.00 N ATOM 288 CA ASP A 21 11.580 5.285 -1.637 1.00 0.00 C ATOM 289 C ASP A 21 10.284 4.642 -2.120 1.00 0.00 C ATOM 290 O ASP A 21 10.189 4.224 -3.255 1.00 0.00 O ATOM 291 CB ASP A 21 11.961 6.435 -2.572 1.00 0.00 C ATOM 292 CG ASP A 21 13.461 6.715 -2.451 1.00 0.00 C ATOM 293 OD1 ASP A 21 13.838 7.433 -1.540 1.00 0.00 O ATOM 294 OD2 ASP A 21 14.206 6.204 -3.271 1.00 0.00 O ATOM 0 H ASP A 21 12.941 3.900 -0.747 1.00 0.00 H new ATOM 0 HA ASP A 21 11.453 5.675 -0.627 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.710 6.179 -3.601 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.392 7.329 -2.317 1.00 0.00 H new ATOM 299 N THR A 22 9.287 4.548 -1.277 1.00 0.00 N ATOM 300 CA THR A 22 8.011 3.918 -1.718 1.00 0.00 C ATOM 301 C THR A 22 7.674 4.418 -3.123 1.00 0.00 C ATOM 302 O THR A 22 7.298 5.560 -3.305 1.00 0.00 O ATOM 303 CB THR A 22 6.895 4.305 -0.750 1.00 0.00 C ATOM 304 OG1 THR A 22 6.778 5.720 -0.716 1.00 0.00 O ATOM 305 CG2 THR A 22 7.229 3.782 0.646 1.00 0.00 C ATOM 0 H THR A 22 9.302 4.878 -0.312 1.00 0.00 H new ATOM 0 HA THR A 22 8.113 2.833 -1.730 1.00 0.00 H new ATOM 0 HB THR A 22 5.952 3.869 -1.080 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.943 6.084 -1.611 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.433 4.058 1.338 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.323 2.697 0.615 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.170 4.218 0.983 1.00 0.00 H new ATOM 313 N TYR A 23 7.836 3.585 -4.122 1.00 0.00 N ATOM 314 CA TYR A 23 7.547 4.054 -5.523 1.00 0.00 C ATOM 315 C TYR A 23 6.267 4.892 -5.523 1.00 0.00 C ATOM 316 O TYR A 23 5.334 4.623 -4.792 1.00 0.00 O ATOM 317 CB TYR A 23 7.385 2.886 -6.512 1.00 0.00 C ATOM 318 CG TYR A 23 7.382 1.573 -5.787 1.00 0.00 C ATOM 319 CD1 TYR A 23 6.507 1.379 -4.722 1.00 0.00 C ATOM 320 CD2 TYR A 23 8.252 0.554 -6.181 1.00 0.00 C ATOM 321 CE1 TYR A 23 6.496 0.170 -4.040 1.00 0.00 C ATOM 322 CE2 TYR A 23 8.243 -0.662 -5.498 1.00 0.00 C ATOM 323 CZ TYR A 23 7.364 -0.849 -4.426 1.00 0.00 C ATOM 324 OH TYR A 23 7.353 -2.035 -3.751 1.00 0.00 O ATOM 0 H TYR A 23 8.149 2.618 -4.037 1.00 0.00 H new ATOM 0 HA TYR A 23 8.400 4.648 -5.851 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.455 3.001 -7.069 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.197 2.904 -7.239 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.835 2.171 -4.426 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.928 0.707 -7.010 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.817 0.020 -3.213 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.912 -1.456 -5.796 1.00 0.00 H new ATOM 0 HH TYR A 23 7.285 -1.863 -2.789 1.00 0.00 H new ATOM 334 N ILE A 24 6.230 5.919 -6.323 1.00 0.00 N ATOM 335 CA ILE A 24 5.032 6.805 -6.363 1.00 0.00 C ATOM 336 C ILE A 24 3.750 6.000 -6.613 1.00 0.00 C ATOM 337 O ILE A 24 3.096 5.552 -5.693 1.00 0.00 O ATOM 338 CB ILE A 24 5.208 7.837 -7.479 1.00 0.00 C ATOM 339 CG1 ILE A 24 6.351 8.790 -7.121 1.00 0.00 C ATOM 340 CG2 ILE A 24 3.912 8.636 -7.643 1.00 0.00 C ATOM 341 CD1 ILE A 24 7.655 8.277 -7.731 1.00 0.00 C ATOM 0 H ILE A 24 6.984 6.186 -6.956 1.00 0.00 H new ATOM 0 HA ILE A 24 4.939 7.301 -5.397 1.00 0.00 H new ATOM 0 HB ILE A 24 5.442 7.325 -8.412 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.133 9.791 -7.492 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.449 8.866 -6.038 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.036 9.372 -8.438 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.097 7.959 -7.899 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.679 9.147 -6.709 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.468 8.956 -7.475 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.875 7.284 -7.338 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.554 8.224 -8.815 1.00 0.00 H new ATOM 353 N LEU A 25 3.368 5.852 -7.853 1.00 0.00 N ATOM 354 CA LEU A 25 2.104 5.124 -8.173 1.00 0.00 C ATOM 355 C LEU A 25 2.193 3.636 -7.788 1.00 0.00 C ATOM 356 O LEU A 25 1.235 3.060 -7.320 1.00 0.00 O ATOM 357 CB LEU A 25 1.836 5.241 -9.676 1.00 0.00 C ATOM 358 CG LEU A 25 0.486 4.603 -10.007 1.00 0.00 C ATOM 359 CD1 LEU A 25 -0.418 5.638 -10.679 1.00 0.00 C ATOM 360 CD2 LEU A 25 0.703 3.423 -10.959 1.00 0.00 C ATOM 0 H LEU A 25 3.879 6.205 -8.662 1.00 0.00 H new ATOM 0 HA LEU A 25 1.293 5.572 -7.598 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.838 6.289 -9.976 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.630 4.748 -10.237 1.00 0.00 H new ATOM 0 HG LEU A 25 0.015 4.252 -9.089 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.380 5.183 -10.915 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.571 6.480 -10.004 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.052 5.990 -11.598 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.258 2.966 -11.197 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.173 3.777 -11.876 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.348 2.685 -10.482 1.00 0.00 H new ATOM 372 N ASP A 26 3.314 2.996 -7.996 1.00 0.00 N ATOM 373 CA ASP A 26 3.418 1.541 -7.647 1.00 0.00 C ATOM 374 C ASP A 26 2.956 1.317 -6.201 1.00 0.00 C ATOM 375 O ASP A 26 1.935 0.695 -5.930 1.00 0.00 O ATOM 376 CB ASP A 26 4.872 1.085 -7.789 1.00 0.00 C ATOM 377 CG ASP A 26 4.929 -0.194 -8.628 1.00 0.00 C ATOM 378 OD1 ASP A 26 4.149 -0.301 -9.561 1.00 0.00 O ATOM 379 OD2 ASP A 26 5.749 -1.043 -8.323 1.00 0.00 O ATOM 0 H ASP A 26 4.159 3.411 -8.389 1.00 0.00 H new ATOM 0 HA ASP A 26 2.784 0.966 -8.322 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.465 1.868 -8.261 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.305 0.906 -6.805 1.00 0.00 H new ATOM 384 N ALA A 27 3.683 1.830 -5.258 1.00 0.00 N ATOM 385 CA ALA A 27 3.251 1.651 -3.855 1.00 0.00 C ATOM 386 C ALA A 27 1.829 2.202 -3.756 1.00 0.00 C ATOM 387 O ALA A 27 1.083 1.870 -2.860 1.00 0.00 O ATOM 388 CB ALA A 27 4.196 2.387 -2.901 1.00 0.00 C ATOM 0 H ALA A 27 4.545 2.358 -5.395 1.00 0.00 H new ATOM 0 HA ALA A 27 3.274 0.599 -3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.861 2.243 -1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.206 1.992 -3.012 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.195 3.451 -3.137 1.00 0.00 H new ATOM 394 N ALA A 28 1.439 3.032 -4.697 1.00 0.00 N ATOM 395 CA ALA A 28 0.060 3.575 -4.679 1.00 0.00 C ATOM 396 C ALA A 28 -0.909 2.414 -4.875 1.00 0.00 C ATOM 397 O ALA A 28 -1.903 2.314 -4.191 1.00 0.00 O ATOM 398 CB ALA A 28 -0.121 4.612 -5.786 1.00 0.00 C ATOM 0 H ALA A 28 2.022 3.351 -5.471 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.134 4.069 -3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.139 5.000 -5.758 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.583 5.430 -5.637 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.063 4.147 -6.754 1.00 0.00 H new ATOM 404 N GLU A 29 -0.609 1.504 -5.775 1.00 0.00 N ATOM 405 CA GLU A 29 -1.500 0.322 -5.942 1.00 0.00 C ATOM 406 C GLU A 29 -1.770 -0.204 -4.552 1.00 0.00 C ATOM 407 O GLU A 29 -2.814 -0.743 -4.253 1.00 0.00 O ATOM 408 CB GLU A 29 -0.794 -0.778 -6.737 1.00 0.00 C ATOM 409 CG GLU A 29 -0.359 -0.231 -8.097 1.00 0.00 C ATOM 410 CD GLU A 29 -1.163 -0.918 -9.202 1.00 0.00 C ATOM 411 OE1 GLU A 29 -2.348 -1.126 -9.003 1.00 0.00 O ATOM 412 OE2 GLU A 29 -0.579 -1.225 -10.229 1.00 0.00 O ATOM 0 H GLU A 29 0.204 1.532 -6.390 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.410 0.605 -6.472 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.074 -1.140 -6.185 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.462 -1.628 -6.873 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.516 0.847 -8.135 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.707 -0.404 -8.247 1.00 0.00 H new ATOM 451 N LEU A 33 -4.611 1.265 -5.480 1.00 0.00 N ATOM 452 CA LEU A 33 -4.578 1.442 -6.950 1.00 0.00 C ATOM 453 C LEU A 33 -5.514 2.567 -7.353 1.00 0.00 C ATOM 454 O LEU A 33 -6.120 2.557 -8.407 1.00 0.00 O ATOM 455 CB LEU A 33 -4.973 0.131 -7.607 1.00 0.00 C ATOM 456 CG LEU A 33 -6.426 -0.180 -7.278 1.00 0.00 C ATOM 457 CD1 LEU A 33 -7.152 -0.646 -8.541 1.00 0.00 C ATOM 458 CD2 LEU A 33 -6.478 -1.283 -6.221 1.00 0.00 C ATOM 0 HA LEU A 33 -3.574 1.712 -7.279 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.839 0.197 -8.687 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.328 -0.674 -7.255 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.913 0.717 -6.896 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.192 -0.868 -8.302 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.113 0.141 -9.294 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.669 -1.543 -8.928 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.517 -1.509 -5.982 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.991 -2.179 -6.606 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.963 -0.948 -5.320 1.00 0.00 H new ATOM 470 N ASP A 34 -5.618 3.542 -6.507 1.00 0.00 N ATOM 471 CA ASP A 34 -6.490 4.698 -6.793 1.00 0.00 C ATOM 472 C ASP A 34 -5.711 5.721 -7.621 1.00 0.00 C ATOM 473 O ASP A 34 -6.261 6.689 -8.109 1.00 0.00 O ATOM 474 CB ASP A 34 -6.934 5.336 -5.477 1.00 0.00 C ATOM 475 CG ASP A 34 -8.164 6.212 -5.722 1.00 0.00 C ATOM 476 OD1 ASP A 34 -8.245 6.798 -6.789 1.00 0.00 O ATOM 477 OD2 ASP A 34 -9.004 6.281 -4.840 1.00 0.00 O ATOM 0 H ASP A 34 -5.126 3.586 -5.614 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.368 4.369 -7.350 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.166 4.562 -4.746 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.125 5.936 -5.060 1.00 0.00 H new ATOM 482 N LEU A 35 -4.428 5.518 -7.779 1.00 0.00 N ATOM 483 CA LEU A 35 -3.614 6.482 -8.569 1.00 0.00 C ATOM 484 C LEU A 35 -3.935 7.902 -8.100 1.00 0.00 C ATOM 485 O LEU A 35 -4.565 8.659 -8.811 1.00 0.00 O ATOM 486 CB LEU A 35 -3.951 6.342 -10.055 1.00 0.00 C ATOM 487 CG LEU A 35 -4.066 4.861 -10.413 1.00 0.00 C ATOM 488 CD1 LEU A 35 -5.536 4.501 -10.630 1.00 0.00 C ATOM 489 CD2 LEU A 35 -3.277 4.585 -11.696 1.00 0.00 C ATOM 0 H LEU A 35 -3.912 4.727 -7.395 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.553 6.276 -8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.887 6.855 -10.277 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.178 6.815 -10.661 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.662 4.258 -9.600 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.618 3.445 -10.885 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.098 4.698 -9.717 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.942 5.103 -11.443 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.358 3.529 -11.953 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.682 5.188 -12.509 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.229 4.841 -11.541 1.00 0.00 H new ATOM 501 N PRO A 36 -3.499 8.215 -6.905 1.00 0.00 N ATOM 502 CA PRO A 36 -3.735 9.538 -6.306 1.00 0.00 C ATOM 503 C PRO A 36 -3.123 10.637 -7.175 1.00 0.00 C ATOM 504 O PRO A 36 -2.024 11.094 -6.935 1.00 0.00 O ATOM 505 CB PRO A 36 -3.043 9.479 -4.936 1.00 0.00 C ATOM 506 CG PRO A 36 -2.437 8.062 -4.774 1.00 0.00 C ATOM 507 CD PRO A 36 -2.732 7.278 -6.062 1.00 0.00 C ATOM 0 HA PRO A 36 -4.797 9.768 -6.218 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.264 10.238 -4.868 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.757 9.683 -4.138 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.363 8.123 -4.601 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.871 7.557 -3.911 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.811 6.965 -6.555 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.304 6.374 -5.853 1.00 0.00 H new ATOM 515 N TYR A 37 -3.831 11.070 -8.182 1.00 0.00 N ATOM 516 CA TYR A 37 -3.299 12.146 -9.061 1.00 0.00 C ATOM 517 C TYR A 37 -3.889 13.482 -8.615 1.00 0.00 C ATOM 518 O TYR A 37 -3.888 14.451 -9.347 1.00 0.00 O ATOM 519 CB TYR A 37 -3.697 11.868 -10.512 1.00 0.00 C ATOM 520 CG TYR A 37 -3.029 12.874 -11.417 1.00 0.00 C ATOM 521 CD1 TYR A 37 -1.637 13.028 -11.387 1.00 0.00 C ATOM 522 CD2 TYR A 37 -3.800 13.652 -12.289 1.00 0.00 C ATOM 523 CE1 TYR A 37 -1.018 13.961 -12.228 1.00 0.00 C ATOM 524 CE2 TYR A 37 -3.181 14.586 -13.129 1.00 0.00 C ATOM 525 CZ TYR A 37 -1.790 14.739 -13.098 1.00 0.00 C ATOM 526 OH TYR A 37 -1.179 15.658 -13.927 1.00 0.00 O ATOM 0 H TYR A 37 -4.757 10.723 -8.433 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.212 12.179 -8.990 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.403 10.857 -10.794 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.780 11.927 -10.621 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.041 12.427 -10.715 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.873 13.532 -12.314 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.055 14.080 -12.205 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.776 15.188 -13.800 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.858 16.113 -14.467 1.00 0.00 H new ATOM 536 N SER A 38 -4.400 13.535 -7.416 1.00 0.00 N ATOM 537 CA SER A 38 -4.998 14.801 -6.915 1.00 0.00 C ATOM 538 C SER A 38 -3.896 15.713 -6.372 1.00 0.00 C ATOM 539 O SER A 38 -3.582 16.733 -6.954 1.00 0.00 O ATOM 540 CB SER A 38 -5.996 14.486 -5.802 1.00 0.00 C ATOM 541 OG SER A 38 -7.237 14.101 -6.379 1.00 0.00 O ATOM 0 H SER A 38 -4.429 12.753 -6.761 1.00 0.00 H new ATOM 0 HA SER A 38 -5.512 15.306 -7.733 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.612 13.686 -5.169 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.134 15.359 -5.164 1.00 0.00 H new ATOM 0 HG SER A 38 -7.879 13.897 -5.667 1.00 0.00 H new ATOM 547 N CYS A 39 -3.310 15.365 -5.257 1.00 0.00 N ATOM 548 CA CYS A 39 -2.240 16.232 -4.688 1.00 0.00 C ATOM 549 C CYS A 39 -0.861 15.584 -4.881 1.00 0.00 C ATOM 550 O CYS A 39 0.086 16.237 -5.269 1.00 0.00 O ATOM 551 CB CYS A 39 -2.514 16.482 -3.192 1.00 0.00 C ATOM 552 SG CYS A 39 -1.846 15.139 -2.165 1.00 0.00 S ATOM 0 H CYS A 39 -3.524 14.525 -4.720 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.242 17.187 -5.213 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.067 17.429 -2.892 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.588 16.570 -3.026 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.716 14.176 -2.090 1.00 0.00 H new ATOM 557 N ARG A 40 -0.739 14.312 -4.592 1.00 0.00 N ATOM 558 CA ARG A 40 0.577 13.621 -4.735 1.00 0.00 C ATOM 559 C ARG A 40 1.451 13.890 -3.499 1.00 0.00 C ATOM 560 O ARG A 40 2.368 13.147 -3.209 1.00 0.00 O ATOM 561 CB ARG A 40 1.297 14.124 -5.989 1.00 0.00 C ATOM 562 CG ARG A 40 2.283 13.059 -6.474 1.00 0.00 C ATOM 563 CD ARG A 40 1.943 12.668 -7.914 1.00 0.00 C ATOM 564 NE ARG A 40 3.145 12.849 -8.776 1.00 0.00 N ATOM 565 CZ ARG A 40 3.184 12.313 -9.967 1.00 0.00 C ATOM 566 NH1 ARG A 40 2.167 11.624 -10.411 1.00 0.00 N ATOM 567 NH2 ARG A 40 4.240 12.468 -10.716 1.00 0.00 N ATOM 0 H ARG A 40 -1.501 13.720 -4.261 1.00 0.00 H new ATOM 0 HA ARG A 40 0.402 12.549 -4.824 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.572 14.347 -6.772 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.826 15.052 -5.770 1.00 0.00 H new ATOM 0 HG2 ARG A 40 3.303 13.441 -6.420 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.236 12.183 -5.827 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.609 11.631 -7.951 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.121 13.281 -8.284 1.00 0.00 H new ATOM 0 HE ARG A 40 3.939 13.392 -8.436 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.339 11.503 -9.828 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.201 11.207 -11.341 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.035 13.007 -10.372 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.272 12.050 -11.646 1.00 0.00 H new ATOM 581 N ALA A 41 1.185 14.944 -2.768 1.00 0.00 N ATOM 582 CA ALA A 41 2.013 15.243 -1.563 1.00 0.00 C ATOM 583 C ALA A 41 1.214 14.947 -0.286 1.00 0.00 C ATOM 584 O ALA A 41 1.538 14.044 0.458 1.00 0.00 O ATOM 585 CB ALA A 41 2.419 16.718 -1.576 1.00 0.00 C ATOM 0 H ALA A 41 0.433 15.607 -2.954 1.00 0.00 H new ATOM 0 HA ALA A 41 2.904 14.615 -1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.024 16.937 -0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.998 16.928 -2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.525 17.342 -1.566 1.00 0.00 H new ATOM 591 N GLY A 42 0.181 15.704 -0.019 1.00 0.00 N ATOM 592 CA GLY A 42 -0.624 15.460 1.217 1.00 0.00 C ATOM 593 C GLY A 42 -1.794 16.447 1.271 1.00 0.00 C ATOM 594 O GLY A 42 -1.741 17.452 1.952 1.00 0.00 O ATOM 0 H GLY A 42 -0.140 16.478 -0.601 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.998 14.436 1.223 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.004 15.576 2.101 1.00 0.00 H new ATOM 598 N ALA A 43 -2.847 16.167 0.557 1.00 0.00 N ATOM 599 CA ALA A 43 -4.025 17.084 0.561 1.00 0.00 C ATOM 600 C ALA A 43 -5.311 16.310 0.233 1.00 0.00 C ATOM 601 O ALA A 43 -6.397 16.731 0.581 1.00 0.00 O ATOM 602 CB ALA A 43 -3.816 18.183 -0.484 1.00 0.00 C ATOM 0 H ALA A 43 -2.945 15.340 -0.032 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.123 17.526 1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.675 18.854 -0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.915 18.747 -0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.709 17.732 -1.470 1.00 0.00 H new ATOM 608 N CYS A 44 -5.209 15.192 -0.442 1.00 0.00 N ATOM 609 CA CYS A 44 -6.434 14.420 -0.792 1.00 0.00 C ATOM 610 C CYS A 44 -6.458 13.107 -0.005 1.00 0.00 C ATOM 611 O CYS A 44 -5.716 12.922 0.938 1.00 0.00 O ATOM 612 CB CYS A 44 -6.439 14.124 -2.298 1.00 0.00 C ATOM 613 SG CYS A 44 -5.080 13.002 -2.727 1.00 0.00 S ATOM 0 H CYS A 44 -4.331 14.784 -0.764 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.317 15.005 -0.537 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.391 13.678 -2.584 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.342 15.054 -2.858 1.00 0.00 H new ATOM 0 HG CYS A 44 -5.546 11.996 -3.406 1.00 0.00 H new ATOM 618 N SER A 45 -7.311 12.193 -0.381 1.00 0.00 N ATOM 619 CA SER A 45 -7.385 10.896 0.350 1.00 0.00 C ATOM 620 C SER A 45 -7.432 9.747 -0.658 1.00 0.00 C ATOM 621 O SER A 45 -8.121 8.765 -0.465 1.00 0.00 O ATOM 622 CB SER A 45 -8.646 10.866 1.213 1.00 0.00 C ATOM 623 OG SER A 45 -8.398 11.553 2.432 1.00 0.00 O ATOM 0 H SER A 45 -7.960 12.288 -1.162 1.00 0.00 H new ATOM 0 HA SER A 45 -6.507 10.788 0.987 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.475 11.333 0.682 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.937 9.835 1.416 1.00 0.00 H new ATOM 0 HG SER A 45 -9.206 11.537 2.987 1.00 0.00 H new ATOM 629 N THR A 46 -6.706 9.863 -1.735 1.00 0.00 N ATOM 630 CA THR A 46 -6.707 8.781 -2.756 1.00 0.00 C ATOM 631 C THR A 46 -5.636 7.742 -2.405 1.00 0.00 C ATOM 632 O THR A 46 -5.483 6.743 -3.079 1.00 0.00 O ATOM 633 CB THR A 46 -6.417 9.381 -4.134 1.00 0.00 C ATOM 634 OG1 THR A 46 -5.997 10.730 -3.981 1.00 0.00 O ATOM 635 CG2 THR A 46 -7.686 9.332 -4.986 1.00 0.00 C ATOM 0 H THR A 46 -6.111 10.663 -1.952 1.00 0.00 H new ATOM 0 HA THR A 46 -7.683 8.296 -2.773 1.00 0.00 H new ATOM 0 HB THR A 46 -5.629 8.809 -4.625 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.809 11.116 -4.862 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.482 9.759 -5.968 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.008 8.297 -5.100 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.474 9.905 -4.498 1.00 0.00 H new ATOM 643 N CYS A 47 -4.894 7.970 -1.353 1.00 0.00 N ATOM 644 CA CYS A 47 -3.839 6.990 -0.962 1.00 0.00 C ATOM 645 C CYS A 47 -4.326 6.153 0.228 1.00 0.00 C ATOM 646 O CYS A 47 -3.782 6.218 1.312 1.00 0.00 O ATOM 647 CB CYS A 47 -2.539 7.726 -0.592 1.00 0.00 C ATOM 648 SG CYS A 47 -2.898 9.242 0.338 1.00 0.00 S ATOM 0 H CYS A 47 -4.973 8.789 -0.750 1.00 0.00 H new ATOM 0 HA CYS A 47 -3.638 6.330 -1.806 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -1.902 7.071 0.003 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.985 7.972 -1.498 1.00 0.00 H new ATOM 0 HG CYS A 47 -2.966 8.967 1.607 1.00 0.00 H new ATOM 653 N ALA A 48 -5.356 5.369 0.029 1.00 0.00 N ATOM 654 CA ALA A 48 -5.895 4.527 1.141 1.00 0.00 C ATOM 655 C ALA A 48 -4.977 3.316 1.376 1.00 0.00 C ATOM 656 O ALA A 48 -3.769 3.432 1.347 1.00 0.00 O ATOM 657 CB ALA A 48 -7.301 4.048 0.769 1.00 0.00 C ATOM 0 H ALA A 48 -5.849 5.276 -0.859 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.938 5.117 2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.701 3.433 1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.950 4.910 0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.254 3.459 -0.147 1.00 0.00 H new ATOM 663 N GLY A 49 -5.539 2.155 1.622 1.00 0.00 N ATOM 664 CA GLY A 49 -4.691 0.950 1.869 1.00 0.00 C ATOM 665 C GLY A 49 -4.566 0.724 3.375 1.00 0.00 C ATOM 666 O GLY A 49 -4.197 1.620 4.108 1.00 0.00 O ATOM 0 H GLY A 49 -6.545 1.993 1.662 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.134 0.075 1.393 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.704 1.088 1.427 1.00 0.00 H new ATOM 670 N LYS A 50 -4.861 -0.458 3.860 1.00 0.00 N ATOM 671 CA LYS A 50 -4.737 -0.680 5.326 1.00 0.00 C ATOM 672 C LYS A 50 -3.250 -0.739 5.718 1.00 0.00 C ATOM 673 O LYS A 50 -2.666 -1.798 5.818 1.00 0.00 O ATOM 674 CB LYS A 50 -5.430 -1.988 5.704 1.00 0.00 C ATOM 675 CG LYS A 50 -6.807 -1.683 6.304 1.00 0.00 C ATOM 676 CD LYS A 50 -6.977 -2.453 7.617 1.00 0.00 C ATOM 677 CE LYS A 50 -8.388 -3.043 7.686 1.00 0.00 C ATOM 678 NZ LYS A 50 -8.325 -4.416 8.264 1.00 0.00 N ATOM 0 H LYS A 50 -5.175 -1.260 3.314 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.211 0.143 5.860 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.537 -2.622 4.824 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.823 -2.539 6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.908 -0.613 6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.591 -1.964 5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.235 -3.249 7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.807 -1.789 8.465 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.029 -2.409 8.298 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.829 -3.076 6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.283 -4.817 8.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.727 -5.018 7.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.921 -4.371 9.221 1.00 0.00 H new ATOM 692 N ILE A 51 -2.651 0.405 5.957 1.00 0.00 N ATOM 693 CA ILE A 51 -1.212 0.463 6.372 1.00 0.00 C ATOM 694 C ILE A 51 -0.270 0.055 5.226 1.00 0.00 C ATOM 695 O ILE A 51 0.390 -0.959 5.292 1.00 0.00 O ATOM 696 CB ILE A 51 -0.996 -0.471 7.561 1.00 0.00 C ATOM 697 CG1 ILE A 51 -1.863 -0.007 8.734 1.00 0.00 C ATOM 698 CG2 ILE A 51 0.477 -0.444 7.973 1.00 0.00 C ATOM 699 CD1 ILE A 51 -3.057 -0.951 8.891 1.00 0.00 C ATOM 0 H ILE A 51 -3.106 1.315 5.881 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.980 1.492 6.646 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.274 -1.487 7.281 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.275 0.008 9.651 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.211 1.011 8.562 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.630 -1.111 8.822 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.095 -0.773 7.137 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.758 0.571 8.254 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.675 -0.621 9.726 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.650 -0.943 7.976 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.698 -1.962 9.082 1.00 0.00 H new ATOM 711 N THR A 52 -0.190 0.847 4.182 1.00 0.00 N ATOM 712 CA THR A 52 0.729 0.513 3.042 1.00 0.00 C ATOM 713 C THR A 52 2.146 0.995 3.373 1.00 0.00 C ATOM 714 O THR A 52 3.059 0.888 2.578 1.00 0.00 O ATOM 715 CB THR A 52 0.240 1.221 1.778 1.00 0.00 C ATOM 716 OG1 THR A 52 1.196 1.052 0.743 1.00 0.00 O ATOM 717 CG2 THR A 52 0.052 2.712 2.067 1.00 0.00 C ATOM 0 H THR A 52 -0.721 1.711 4.069 1.00 0.00 H new ATOM 0 HA THR A 52 0.737 -0.565 2.882 1.00 0.00 H new ATOM 0 HB THR A 52 -0.712 0.792 1.465 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.398 1.922 0.339 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.297 3.216 1.166 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.684 2.839 2.861 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.002 3.145 2.380 1.00 0.00 H new ATOM 725 N ALA A 53 2.310 1.539 4.543 1.00 0.00 N ATOM 726 CA ALA A 53 3.631 2.078 4.992 1.00 0.00 C ATOM 727 C ALA A 53 4.807 1.284 4.427 1.00 0.00 C ATOM 728 O ALA A 53 5.539 1.759 3.582 1.00 0.00 O ATOM 729 CB ALA A 53 3.696 2.028 6.516 1.00 0.00 C ATOM 0 H ALA A 53 1.563 1.637 5.231 1.00 0.00 H new ATOM 0 HA ALA A 53 3.710 3.101 4.624 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.656 2.419 6.852 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.891 2.632 6.935 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.587 0.997 6.851 1.00 0.00 H new ATOM 735 N GLY A 54 5.024 0.098 4.913 1.00 0.00 N ATOM 736 CA GLY A 54 6.180 -0.694 4.435 1.00 0.00 C ATOM 737 C GLY A 54 7.309 -0.606 5.464 1.00 0.00 C ATOM 738 O GLY A 54 7.331 -1.321 6.446 1.00 0.00 O ATOM 0 H GLY A 54 4.448 -0.356 5.622 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.888 -1.733 4.286 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.520 -0.317 3.470 1.00 0.00 H new ATOM 742 N SER A 55 8.241 0.277 5.240 1.00 0.00 N ATOM 743 CA SER A 55 9.378 0.442 6.188 1.00 0.00 C ATOM 744 C SER A 55 10.126 1.723 5.823 1.00 0.00 C ATOM 745 O SER A 55 9.785 2.382 4.864 1.00 0.00 O ATOM 746 CB SER A 55 10.321 -0.756 6.074 1.00 0.00 C ATOM 747 OG SER A 55 9.552 -1.949 5.992 1.00 0.00 O ATOM 0 H SER A 55 8.264 0.898 4.431 1.00 0.00 H new ATOM 0 HA SER A 55 9.008 0.502 7.212 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.952 -0.655 5.191 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.985 -0.795 6.938 1.00 0.00 H new ATOM 0 HG SER A 55 8.840 -1.926 6.665 1.00 0.00 H new ATOM 753 N VAL A 56 11.138 2.086 6.576 1.00 0.00 N ATOM 754 CA VAL A 56 11.897 3.334 6.255 1.00 0.00 C ATOM 755 C VAL A 56 10.929 4.410 5.793 1.00 0.00 C ATOM 756 O VAL A 56 10.687 4.580 4.614 1.00 0.00 O ATOM 757 CB VAL A 56 12.919 3.040 5.154 1.00 0.00 C ATOM 758 CG1 VAL A 56 13.599 4.338 4.724 1.00 0.00 C ATOM 759 CG2 VAL A 56 13.975 2.067 5.685 1.00 0.00 C ATOM 0 H VAL A 56 11.469 1.574 7.394 1.00 0.00 H new ATOM 0 HA VAL A 56 12.421 3.684 7.144 1.00 0.00 H new ATOM 0 HB VAL A 56 12.409 2.597 4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 56 14.326 4.126 3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 56 12.850 5.033 4.345 1.00 0.00 H new ATOM 0 HG13 VAL A 56 14.107 4.783 5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.703 1.857 4.901 1.00 0.00 H new ATOM 0 HG22 VAL A 56 14.482 2.512 6.542 1.00 0.00 H new ATOM 0 HG23 VAL A 56 13.493 1.138 5.991 1.00 0.00 H new ATOM 769 N ASP A 57 10.354 5.128 6.713 1.00 0.00 N ATOM 770 CA ASP A 57 9.385 6.172 6.317 1.00 0.00 C ATOM 771 C ASP A 57 8.857 6.904 7.553 1.00 0.00 C ATOM 772 O ASP A 57 8.190 6.331 8.389 1.00 0.00 O ATOM 773 CB ASP A 57 8.237 5.496 5.574 1.00 0.00 C ATOM 774 CG ASP A 57 7.539 4.499 6.503 1.00 0.00 C ATOM 775 OD1 ASP A 57 8.108 4.180 7.532 1.00 0.00 O ATOM 776 OD2 ASP A 57 6.449 4.068 6.165 1.00 0.00 O ATOM 0 H ASP A 57 10.514 5.035 7.716 1.00 0.00 H new ATOM 0 HA ASP A 57 9.869 6.906 5.673 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.525 6.244 5.227 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.615 4.982 4.691 1.00 0.00 H new ATOM 781 N GLN A 58 9.149 8.174 7.667 1.00 0.00 N ATOM 782 CA GLN A 58 8.667 8.954 8.839 1.00 0.00 C ATOM 783 C GLN A 58 9.354 10.322 8.855 1.00 0.00 C ATOM 784 O GLN A 58 9.721 10.829 9.896 1.00 0.00 O ATOM 785 CB GLN A 58 9.002 8.207 10.133 1.00 0.00 C ATOM 786 CG GLN A 58 10.485 7.829 10.135 1.00 0.00 C ATOM 787 CD GLN A 58 10.634 6.323 10.354 1.00 0.00 C ATOM 788 OE1 GLN A 58 9.868 5.540 9.828 1.00 0.00 O ATOM 789 NE2 GLN A 58 11.598 5.880 11.114 1.00 0.00 N ATOM 0 H GLN A 58 9.703 8.704 6.994 1.00 0.00 H new ATOM 0 HA GLN A 58 7.587 9.083 8.765 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.774 8.833 10.996 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.387 7.311 10.218 1.00 0.00 H new ATOM 0 HG2 GLN A 58 10.944 8.116 9.189 1.00 0.00 H new ATOM 0 HG3 GLN A 58 11.008 8.374 10.921 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.242 6.536 11.556 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.708 4.877 11.266 1.00 0.00 H new ATOM 798 N SER A 59 9.537 10.922 7.708 1.00 0.00 N ATOM 799 CA SER A 59 10.208 12.253 7.666 1.00 0.00 C ATOM 800 C SER A 59 9.536 13.147 6.621 1.00 0.00 C ATOM 801 O SER A 59 10.145 14.052 6.085 1.00 0.00 O ATOM 802 CB SER A 59 11.680 12.063 7.301 1.00 0.00 C ATOM 803 OG SER A 59 11.777 11.681 5.935 1.00 0.00 O ATOM 0 H SER A 59 9.252 10.549 6.802 1.00 0.00 H new ATOM 0 HA SER A 59 10.127 12.727 8.644 1.00 0.00 H new ATOM 0 HB2 SER A 59 12.232 12.987 7.473 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.129 11.300 7.937 1.00 0.00 H new ATOM 0 HG SER A 59 12.618 11.199 5.789 1.00 0.00 H new ATOM 809 N ASP A 60 8.286 12.913 6.332 1.00 0.00 N ATOM 810 CA ASP A 60 7.583 13.766 5.328 1.00 0.00 C ATOM 811 C ASP A 60 8.483 14.003 4.109 1.00 0.00 C ATOM 812 O ASP A 60 8.648 15.120 3.658 1.00 0.00 O ATOM 813 CB ASP A 60 7.229 15.115 5.960 1.00 0.00 C ATOM 814 CG ASP A 60 6.988 14.933 7.461 1.00 0.00 C ATOM 815 OD1 ASP A 60 7.953 14.713 8.173 1.00 0.00 O ATOM 816 OD2 ASP A 60 5.842 15.016 7.872 1.00 0.00 O ATOM 0 H ASP A 60 7.721 12.171 6.745 1.00 0.00 H new ATOM 0 HA ASP A 60 6.674 13.255 5.009 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.037 15.828 5.795 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.338 15.527 5.486 1.00 0.00 H new ATOM 888 N ASP A 65 2.950 5.659 1.090 1.00 0.00 N ATOM 889 CA ASP A 65 3.008 4.815 2.322 1.00 0.00 C ATOM 890 C ASP A 65 3.647 5.604 3.471 1.00 0.00 C ATOM 891 O ASP A 65 4.467 6.469 3.241 1.00 0.00 O ATOM 892 CB ASP A 65 3.855 3.580 2.034 1.00 0.00 C ATOM 893 CG ASP A 65 3.471 3.011 0.668 1.00 0.00 C ATOM 894 OD1 ASP A 65 2.299 3.060 0.338 1.00 0.00 O ATOM 895 OD2 ASP A 65 4.357 2.543 -0.027 1.00 0.00 O ATOM 0 HA ASP A 65 1.997 4.523 2.608 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.914 3.840 2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.700 2.830 2.810 1.00 0.00 H new ATOM 900 N ASP A 66 3.287 5.291 4.705 1.00 0.00 N ATOM 901 CA ASP A 66 3.875 5.982 5.889 1.00 0.00 C ATOM 902 C ASP A 66 3.009 7.152 6.343 1.00 0.00 C ATOM 903 O ASP A 66 3.388 8.301 6.215 1.00 0.00 O ATOM 904 CB ASP A 66 5.274 6.495 5.575 1.00 0.00 C ATOM 905 CG ASP A 66 5.988 6.845 6.881 1.00 0.00 C ATOM 906 OD1 ASP A 66 5.934 6.039 7.794 1.00 0.00 O ATOM 907 OD2 ASP A 66 6.573 7.913 6.945 1.00 0.00 O ATOM 0 H ASP A 66 2.599 4.573 4.934 1.00 0.00 H new ATOM 0 HA ASP A 66 3.925 5.248 6.693 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.838 5.738 5.030 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.216 7.373 4.932 1.00 0.00 H new ATOM 912 N ASP A 67 1.877 6.879 6.928 1.00 0.00 N ATOM 913 CA ASP A 67 1.045 7.995 7.445 1.00 0.00 C ATOM 914 C ASP A 67 1.900 8.755 8.457 1.00 0.00 C ATOM 915 O ASP A 67 1.638 9.894 8.791 1.00 0.00 O ATOM 916 CB ASP A 67 -0.204 7.442 8.134 1.00 0.00 C ATOM 917 CG ASP A 67 -0.972 8.588 8.794 1.00 0.00 C ATOM 918 OD1 ASP A 67 -0.731 9.726 8.425 1.00 0.00 O ATOM 919 OD2 ASP A 67 -1.787 8.309 9.658 1.00 0.00 O ATOM 0 H ASP A 67 1.497 5.943 7.069 1.00 0.00 H new ATOM 0 HA ASP A 67 0.723 8.648 6.634 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.839 6.936 7.407 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.078 6.701 8.882 1.00 0.00 H new ATOM 924 N GLN A 68 2.940 8.116 8.934 1.00 0.00 N ATOM 925 CA GLN A 68 3.847 8.769 9.915 1.00 0.00 C ATOM 926 C GLN A 68 4.985 7.802 10.313 1.00 0.00 C ATOM 927 O GLN A 68 5.994 8.231 10.827 1.00 0.00 O ATOM 928 CB GLN A 68 3.042 9.193 11.151 1.00 0.00 C ATOM 929 CG GLN A 68 2.904 8.022 12.129 1.00 0.00 C ATOM 930 CD GLN A 68 2.167 6.865 11.449 1.00 0.00 C ATOM 931 OE1 GLN A 68 2.722 5.801 11.263 1.00 0.00 O ATOM 932 NE2 GLN A 68 0.930 7.028 11.069 1.00 0.00 N ATOM 0 H GLN A 68 3.197 7.162 8.681 1.00 0.00 H new ATOM 0 HA GLN A 68 4.294 9.654 9.462 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.536 10.030 11.644 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.054 9.539 10.848 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.889 7.694 12.460 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.359 8.340 13.018 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.462 7.921 11.224 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.430 6.262 10.616 1.00 0.00 H new ATOM 941 N ILE A 69 4.842 6.510 10.067 1.00 0.00 N ATOM 942 CA ILE A 69 5.937 5.544 10.427 1.00 0.00 C ATOM 943 C ILE A 69 5.382 4.116 10.504 1.00 0.00 C ATOM 944 O ILE A 69 4.893 3.687 11.529 1.00 0.00 O ATOM 945 CB ILE A 69 6.557 5.898 11.786 1.00 0.00 C ATOM 946 CG1 ILE A 69 7.504 4.773 12.215 1.00 0.00 C ATOM 947 CG2 ILE A 69 5.456 6.049 12.835 1.00 0.00 C ATOM 948 CD1 ILE A 69 8.854 5.369 12.613 1.00 0.00 C ATOM 0 H ILE A 69 4.019 6.089 9.636 1.00 0.00 H new ATOM 0 HA ILE A 69 6.701 5.609 9.652 1.00 0.00 H new ATOM 0 HB ILE A 69 7.105 6.836 11.698 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.076 4.222 13.053 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.634 4.062 11.399 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.902 6.300 13.797 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.773 6.843 12.534 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.907 5.112 12.923 1.00 0.00 H new ATOM 0 HD11 ILE A 69 9.529 4.569 12.919 1.00 0.00 H new ATOM 0 HD12 ILE A 69 9.282 5.900 11.763 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.715 6.063 13.442 1.00 0.00 H new ATOM 960 N GLU A 70 5.477 3.370 9.437 1.00 0.00 N ATOM 961 CA GLU A 70 4.979 1.963 9.461 1.00 0.00 C ATOM 962 C GLU A 70 3.468 1.933 9.689 1.00 0.00 C ATOM 963 O GLU A 70 2.961 1.140 10.457 1.00 0.00 O ATOM 964 CB GLU A 70 5.672 1.197 10.587 1.00 0.00 C ATOM 965 CG GLU A 70 5.549 -0.304 10.327 1.00 0.00 C ATOM 966 CD GLU A 70 6.919 -0.965 10.496 1.00 0.00 C ATOM 967 OE1 GLU A 70 7.813 -0.630 9.737 1.00 0.00 O ATOM 968 OE2 GLU A 70 7.050 -1.792 11.384 1.00 0.00 O ATOM 0 H GLU A 70 5.878 3.673 8.549 1.00 0.00 H new ATOM 0 HA GLU A 70 5.201 1.498 8.501 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.722 1.483 10.644 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.220 1.450 11.546 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.832 -0.746 11.019 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.170 -0.480 9.320 1.00 0.00 H new ATOM 975 N ALA A 71 2.745 2.777 9.017 1.00 0.00 N ATOM 976 CA ALA A 71 1.273 2.796 9.173 1.00 0.00 C ATOM 977 C ALA A 71 0.686 3.633 8.042 1.00 0.00 C ATOM 978 O ALA A 71 0.338 4.780 8.227 1.00 0.00 O ATOM 979 CB ALA A 71 0.899 3.412 10.523 1.00 0.00 C ATOM 0 H ALA A 71 3.117 3.462 8.359 1.00 0.00 H new ATOM 0 HA ALA A 71 0.878 1.781 9.135 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.186 3.422 10.630 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.337 2.821 11.327 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.279 4.432 10.575 1.00 0.00 H new ATOM 985 N GLY A 72 0.584 3.073 6.866 1.00 0.00 N ATOM 986 CA GLY A 72 0.034 3.857 5.725 1.00 0.00 C ATOM 987 C GLY A 72 -1.200 4.624 6.189 1.00 0.00 C ATOM 988 O GLY A 72 -1.485 5.703 5.713 1.00 0.00 O ATOM 0 H GLY A 72 0.856 2.114 6.648 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.787 4.550 5.348 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.226 3.191 4.903 1.00 0.00 H new ATOM 992 N TYR A 73 -1.914 4.059 7.125 1.00 0.00 N ATOM 993 CA TYR A 73 -3.148 4.705 7.678 1.00 0.00 C ATOM 994 C TYR A 73 -3.821 5.626 6.643 1.00 0.00 C ATOM 995 O TYR A 73 -4.725 5.214 5.943 1.00 0.00 O ATOM 996 CB TYR A 73 -2.786 5.493 8.940 1.00 0.00 C ATOM 997 CG TYR A 73 -4.040 5.751 9.743 1.00 0.00 C ATOM 998 CD1 TYR A 73 -5.069 6.531 9.203 1.00 0.00 C ATOM 999 CD2 TYR A 73 -4.175 5.205 11.026 1.00 0.00 C ATOM 1000 CE1 TYR A 73 -6.232 6.767 9.946 1.00 0.00 C ATOM 1001 CE2 TYR A 73 -5.339 5.440 11.768 1.00 0.00 C ATOM 1002 CZ TYR A 73 -6.367 6.221 11.228 1.00 0.00 C ATOM 1003 OH TYR A 73 -7.515 6.453 11.960 1.00 0.00 O ATOM 0 H TYR A 73 -1.691 3.155 7.542 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.864 3.922 7.927 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -2.066 4.934 9.538 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.312 6.437 8.670 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.966 6.951 8.213 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.381 4.603 11.443 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -7.025 7.370 9.530 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.443 5.019 12.757 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.447 6.001 12.827 1.00 0.00 H new ATOM 1013 N VAL A 74 -3.408 6.867 6.539 1.00 0.00 N ATOM 1014 CA VAL A 74 -4.059 7.777 5.549 1.00 0.00 C ATOM 1015 C VAL A 74 -3.007 8.634 4.831 1.00 0.00 C ATOM 1016 O VAL A 74 -3.068 8.821 3.633 1.00 0.00 O ATOM 1017 CB VAL A 74 -5.045 8.694 6.274 1.00 0.00 C ATOM 1018 CG1 VAL A 74 -4.338 9.384 7.441 1.00 0.00 C ATOM 1019 CG2 VAL A 74 -5.568 9.750 5.298 1.00 0.00 C ATOM 0 H VAL A 74 -2.658 7.283 7.090 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.585 7.171 4.811 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.879 8.104 6.654 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.041 10.037 7.957 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.964 8.632 8.136 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.504 9.975 7.063 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.271 10.405 5.813 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.734 10.340 4.919 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.072 9.258 4.466 1.00 0.00 H new ATOM 1029 N LEU A 75 -2.050 9.164 5.548 1.00 0.00 N ATOM 1030 CA LEU A 75 -1.009 10.013 4.891 1.00 0.00 C ATOM 1031 C LEU A 75 0.107 9.120 4.339 1.00 0.00 C ATOM 1032 O LEU A 75 1.253 9.218 4.730 1.00 0.00 O ATOM 1033 CB LEU A 75 -0.424 10.989 5.914 1.00 0.00 C ATOM 1034 CG LEU A 75 0.000 12.278 5.205 1.00 0.00 C ATOM 1035 CD1 LEU A 75 -1.244 13.041 4.740 1.00 0.00 C ATOM 1036 CD2 LEU A 75 0.799 13.149 6.175 1.00 0.00 C ATOM 0 H LEU A 75 -1.944 9.047 6.556 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.462 10.574 4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.163 11.211 6.684 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.433 10.538 6.414 1.00 0.00 H new ATOM 0 HG LEU A 75 0.617 12.032 4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.941 13.958 4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.815 12.420 4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.862 13.289 5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.103 14.068 5.673 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.180 13.394 7.038 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.685 12.607 6.506 1.00 0.00 H new ATOM 1048 N THR A 76 -0.225 8.252 3.428 1.00 0.00 N ATOM 1049 CA THR A 76 0.802 7.341 2.846 1.00 0.00 C ATOM 1050 C THR A 76 1.855 8.155 2.084 1.00 0.00 C ATOM 1051 O THR A 76 3.012 7.801 2.032 1.00 0.00 O ATOM 1052 CB THR A 76 0.124 6.363 1.879 1.00 0.00 C ATOM 1053 OG1 THR A 76 0.063 6.950 0.588 1.00 0.00 O ATOM 1054 CG2 THR A 76 -1.291 6.038 2.364 1.00 0.00 C ATOM 0 H THR A 76 -1.168 8.132 3.058 1.00 0.00 H new ATOM 0 HA THR A 76 1.288 6.790 3.652 1.00 0.00 H new ATOM 0 HB THR A 76 0.702 5.440 1.837 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.099 6.246 -0.093 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.763 5.343 1.670 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.241 5.584 3.354 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.878 6.955 2.414 1.00 0.00 H new ATOM 1062 N CYS A 77 1.463 9.238 1.482 1.00 0.00 N ATOM 1063 CA CYS A 77 2.448 10.065 0.696 1.00 0.00 C ATOM 1064 C CYS A 77 3.529 10.717 1.589 1.00 0.00 C ATOM 1065 O CYS A 77 4.207 11.631 1.163 1.00 0.00 O ATOM 1066 CB CYS A 77 1.722 11.163 -0.101 1.00 0.00 C ATOM 1067 SG CYS A 77 0.203 11.677 0.739 1.00 0.00 S ATOM 0 H CYS A 77 0.508 9.596 1.493 1.00 0.00 H new ATOM 0 HA CYS A 77 2.948 9.377 0.014 1.00 0.00 H new ATOM 0 HB2 CYS A 77 2.381 12.022 -0.227 1.00 0.00 H new ATOM 0 HB3 CYS A 77 1.483 10.796 -1.099 1.00 0.00 H new ATOM 0 HG CYS A 77 0.318 12.913 1.125 1.00 0.00 H new ATOM 1072 N VAL A 78 3.722 10.263 2.802 1.00 0.00 N ATOM 1073 CA VAL A 78 4.777 10.864 3.670 1.00 0.00 C ATOM 1074 C VAL A 78 5.745 9.754 4.112 1.00 0.00 C ATOM 1075 O VAL A 78 5.812 9.405 5.273 1.00 0.00 O ATOM 1076 CB VAL A 78 4.119 11.504 4.897 1.00 0.00 C ATOM 1077 CG1 VAL A 78 5.174 11.783 5.970 1.00 0.00 C ATOM 1078 CG2 VAL A 78 3.455 12.822 4.487 1.00 0.00 C ATOM 0 H VAL A 78 3.193 9.502 3.228 1.00 0.00 H new ATOM 0 HA VAL A 78 5.326 11.629 3.121 1.00 0.00 H new ATOM 0 HB VAL A 78 3.370 10.821 5.298 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.698 12.238 6.839 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.649 10.847 6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.927 12.463 5.572 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.986 13.280 5.358 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.208 13.499 4.083 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.698 12.627 3.728 1.00 0.00 H new ATOM 1088 N ALA A 79 6.471 9.170 3.188 1.00 0.00 N ATOM 1089 CA ALA A 79 7.400 8.060 3.565 1.00 0.00 C ATOM 1090 C ALA A 79 8.859 8.413 3.245 1.00 0.00 C ATOM 1091 O ALA A 79 9.155 9.472 2.738 1.00 0.00 O ATOM 1092 CB ALA A 79 7.016 6.805 2.785 1.00 0.00 C ATOM 0 H ALA A 79 6.460 9.412 2.197 1.00 0.00 H new ATOM 0 HA ALA A 79 7.314 7.894 4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.688 5.990 3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.991 6.525 3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.094 7.003 1.716 1.00 0.00 H new ATOM 1098 N TYR A 80 9.766 7.501 3.523 1.00 0.00 N ATOM 1099 CA TYR A 80 11.199 7.721 3.224 1.00 0.00 C ATOM 1100 C TYR A 80 11.571 6.620 2.208 1.00 0.00 C ATOM 1101 O TYR A 80 10.678 6.173 1.520 1.00 0.00 O ATOM 1102 CB TYR A 80 11.979 7.635 4.548 1.00 0.00 C ATOM 1103 CG TYR A 80 13.110 8.646 4.573 1.00 0.00 C ATOM 1104 CD1 TYR A 80 12.952 9.905 3.973 1.00 0.00 C ATOM 1105 CD2 TYR A 80 14.317 8.327 5.211 1.00 0.00 C ATOM 1106 CE1 TYR A 80 13.999 10.833 4.007 1.00 0.00 C ATOM 1107 CE2 TYR A 80 15.362 9.257 5.244 1.00 0.00 C ATOM 1108 CZ TYR A 80 15.204 10.509 4.642 1.00 0.00 C ATOM 1109 OH TYR A 80 16.234 11.426 4.673 1.00 0.00 O ATOM 0 H TYR A 80 9.557 6.600 3.953 1.00 0.00 H new ATOM 0 HA TYR A 80 11.433 8.695 2.795 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.305 7.816 5.385 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.381 6.630 4.674 1.00 0.00 H new ATOM 0 HD1 TYR A 80 12.022 10.158 3.485 1.00 0.00 H new ATOM 0 HD2 TYR A 80 14.441 7.361 5.678 1.00 0.00 H new ATOM 0 HE1 TYR A 80 13.877 11.800 3.543 1.00 0.00 H new ATOM 0 HE2 TYR A 80 16.291 9.008 5.735 1.00 0.00 H new ATOM 0 HH TYR A 80 16.998 11.044 5.153 1.00 0.00 H new ATOM 1119 N PRO A 81 12.813 6.178 2.094 1.00 0.00 N ATOM 1120 CA PRO A 81 13.110 5.120 1.116 1.00 0.00 C ATOM 1121 C PRO A 81 12.056 4.001 1.256 1.00 0.00 C ATOM 1122 O PRO A 81 11.011 4.098 0.659 1.00 0.00 O ATOM 1123 CB PRO A 81 14.546 4.678 1.436 1.00 0.00 C ATOM 1124 CG PRO A 81 15.141 5.743 2.390 1.00 0.00 C ATOM 1125 CD PRO A 81 13.984 6.643 2.864 1.00 0.00 C ATOM 0 HA PRO A 81 13.056 5.437 0.075 1.00 0.00 H new ATOM 0 HB2 PRO A 81 14.552 3.694 1.904 1.00 0.00 H new ATOM 0 HB3 PRO A 81 15.139 4.601 0.525 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.628 5.266 3.240 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.901 6.334 1.878 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.818 6.544 3.937 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.194 7.695 2.670 1.00 0.00 H new ATOM 1133 N THR A 82 12.311 2.978 2.048 1.00 0.00 N ATOM 1134 CA THR A 82 11.318 1.853 2.276 1.00 0.00 C ATOM 1135 C THR A 82 11.961 0.500 1.968 1.00 0.00 C ATOM 1136 O THR A 82 11.854 -0.013 0.878 1.00 0.00 O ATOM 1137 CB THR A 82 10.043 1.996 1.423 1.00 0.00 C ATOM 1138 OG1 THR A 82 9.101 1.013 1.833 1.00 0.00 O ATOM 1139 CG2 THR A 82 10.365 1.792 -0.062 1.00 0.00 C ATOM 0 H THR A 82 13.186 2.868 2.561 1.00 0.00 H new ATOM 0 HA THR A 82 11.031 1.912 3.326 1.00 0.00 H new ATOM 0 HB THR A 82 9.634 2.997 1.561 1.00 0.00 H new ATOM 0 HG1 THR A 82 9.440 0.121 1.608 1.00 0.00 H new ATOM 0 HG21 THR A 82 9.453 1.896 -0.650 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.091 2.539 -0.383 1.00 0.00 H new ATOM 0 HG23 THR A 82 10.780 0.795 -0.211 1.00 0.00 H new ATOM 1147 N SER A 83 12.615 -0.095 2.923 1.00 0.00 N ATOM 1148 CA SER A 83 13.244 -1.417 2.670 1.00 0.00 C ATOM 1149 C SER A 83 12.189 -2.399 2.139 1.00 0.00 C ATOM 1150 O SER A 83 12.513 -3.409 1.548 1.00 0.00 O ATOM 1151 CB SER A 83 13.843 -1.954 3.972 1.00 0.00 C ATOM 1152 OG SER A 83 14.898 -2.856 3.664 1.00 0.00 O ATOM 0 H SER A 83 12.741 0.276 3.865 1.00 0.00 H new ATOM 0 HA SER A 83 14.034 -1.307 1.928 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.218 -1.131 4.580 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.076 -2.460 4.558 1.00 0.00 H new ATOM 0 HG SER A 83 15.286 -3.202 4.495 1.00 0.00 H new ATOM 1158 N ASP A 84 10.929 -2.108 2.344 1.00 0.00 N ATOM 1159 CA ASP A 84 9.857 -3.027 1.848 1.00 0.00 C ATOM 1160 C ASP A 84 8.491 -2.353 2.011 1.00 0.00 C ATOM 1161 O ASP A 84 8.371 -1.340 2.670 1.00 0.00 O ATOM 1162 CB ASP A 84 9.878 -4.319 2.667 1.00 0.00 C ATOM 1163 CG ASP A 84 10.289 -4.010 4.106 1.00 0.00 C ATOM 1164 OD1 ASP A 84 11.460 -3.751 4.324 1.00 0.00 O ATOM 1165 OD2 ASP A 84 9.425 -4.039 4.967 1.00 0.00 O ATOM 0 H ASP A 84 10.596 -1.276 2.832 1.00 0.00 H new ATOM 0 HA ASP A 84 10.032 -3.253 0.796 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.893 -4.786 2.652 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.575 -5.030 2.224 1.00 0.00 H new ATOM 1170 N CYS A 85 7.451 -2.910 1.439 1.00 0.00 N ATOM 1171 CA CYS A 85 6.118 -2.288 1.602 1.00 0.00 C ATOM 1172 C CYS A 85 5.114 -3.348 2.073 1.00 0.00 C ATOM 1173 O CYS A 85 5.444 -4.512 2.185 1.00 0.00 O ATOM 1174 CB CYS A 85 5.674 -1.607 0.304 1.00 0.00 C ATOM 1175 SG CYS A 85 4.879 -0.036 0.714 1.00 0.00 S ATOM 0 H CYS A 85 7.475 -3.759 0.874 1.00 0.00 H new ATOM 0 HA CYS A 85 6.169 -1.509 2.363 1.00 0.00 H new ATOM 0 HB2 CYS A 85 6.532 -1.437 -0.346 1.00 0.00 H new ATOM 0 HB3 CYS A 85 4.983 -2.249 -0.242 1.00 0.00 H new ATOM 0 HG CYS A 85 4.131 -0.190 1.766 1.00 0.00 H new ATOM 1181 N THR A 86 3.906 -2.959 2.397 1.00 0.00 N ATOM 1182 CA THR A 86 2.916 -3.935 2.908 1.00 0.00 C ATOM 1183 C THR A 86 1.572 -3.243 2.954 1.00 0.00 C ATOM 1184 O THR A 86 1.401 -2.303 3.699 1.00 0.00 O ATOM 1185 CB THR A 86 3.298 -4.308 4.340 1.00 0.00 C ATOM 1186 OG1 THR A 86 4.699 -4.537 4.412 1.00 0.00 O ATOM 1187 CG2 THR A 86 2.545 -5.570 4.760 1.00 0.00 C ATOM 0 H THR A 86 3.568 -1.999 2.326 1.00 0.00 H new ATOM 0 HA THR A 86 2.886 -4.822 2.275 1.00 0.00 H new ATOM 0 HB THR A 86 3.031 -3.492 5.012 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.988 -5.044 3.625 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.819 -5.834 5.781 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.472 -5.388 4.708 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.807 -6.390 4.091 1.00 0.00 H new ATOM 1195 N ILE A 87 0.599 -3.668 2.208 1.00 0.00 N ATOM 1196 CA ILE A 87 -0.691 -2.942 2.321 1.00 0.00 C ATOM 1197 C ILE A 87 -1.843 -3.898 2.416 1.00 0.00 C ATOM 1198 O ILE A 87 -2.009 -4.814 1.617 1.00 0.00 O ATOM 1199 CB ILE A 87 -0.928 -1.990 1.143 1.00 0.00 C ATOM 1200 CG1 ILE A 87 -2.126 -1.069 1.428 1.00 0.00 C ATOM 1201 CG2 ILE A 87 -1.263 -2.796 -0.102 1.00 0.00 C ATOM 1202 CD1 ILE A 87 -2.109 -0.601 2.877 1.00 0.00 C ATOM 0 H ILE A 87 0.632 -4.449 1.553 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.628 -2.351 3.235 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.024 -1.399 0.999 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.096 -0.207 0.761 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.056 -1.599 1.222 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.431 -2.119 -0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.434 -3.464 -0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.164 -3.384 0.076 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.964 0.050 3.059 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.163 -1.465 3.539 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.188 -0.052 3.071 1.00 0.00 H new ATOM 1214 N GLU A 88 -2.662 -3.660 3.386 1.00 0.00 N ATOM 1215 CA GLU A 88 -3.837 -4.501 3.564 1.00 0.00 C ATOM 1216 C GLU A 88 -4.959 -3.943 2.702 1.00 0.00 C ATOM 1217 O GLU A 88 -6.067 -3.762 3.161 1.00 0.00 O ATOM 1218 CB GLU A 88 -4.257 -4.520 5.034 1.00 0.00 C ATOM 1219 CG GLU A 88 -3.890 -5.872 5.649 1.00 0.00 C ATOM 1220 CD GLU A 88 -4.984 -6.892 5.327 1.00 0.00 C ATOM 1221 OE1 GLU A 88 -6.098 -6.701 5.787 1.00 0.00 O ATOM 1222 OE2 GLU A 88 -4.689 -7.845 4.625 1.00 0.00 O ATOM 0 H GLU A 88 -2.558 -2.907 4.066 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.612 -5.525 3.265 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.761 -3.715 5.576 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.330 -4.348 5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.932 -6.214 5.257 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.776 -5.774 6.729 1.00 0.00 H new ATOM 1229 N THR A 89 -4.713 -3.717 1.434 1.00 0.00 N ATOM 1230 CA THR A 89 -5.841 -3.276 0.582 1.00 0.00 C ATOM 1231 C THR A 89 -6.605 -4.566 0.284 1.00 0.00 C ATOM 1232 O THR A 89 -7.715 -4.576 -0.210 1.00 0.00 O ATOM 1233 CB THR A 89 -5.337 -2.647 -0.714 1.00 0.00 C ATOM 1234 OG1 THR A 89 -4.500 -1.540 -0.407 1.00 0.00 O ATOM 1235 CG2 THR A 89 -6.534 -2.173 -1.536 1.00 0.00 C ATOM 0 H THR A 89 -3.809 -3.817 0.972 1.00 0.00 H new ATOM 0 HA THR A 89 -6.456 -2.519 1.069 1.00 0.00 H new ATOM 0 HB THR A 89 -4.768 -3.381 -1.285 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.174 -1.136 -1.238 1.00 0.00 H new ATOM 0 HG21 THR A 89 -6.182 -1.722 -2.464 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.177 -3.023 -1.766 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.098 -1.435 -0.965 1.00 0.00 H new