USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 591 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 39 CYS SG : rot 75:sc= 0.748 USER MOD Set 1.2: A 41 HIS : no HD1:sc= -4.85! C(o=-3.4!,f=-12!) USER MOD Set 1.3: A 114 CYS SG : rot 149:sc= 0.612 USER MOD Set 1.4: A 117 CYS SG : rot 124:sc= 0.0528 USER MOD Set 2.1: A 106 ASN : amide:sc= 0.533 K(o=1.6,f=-12!) USER MOD Set 2.2: A 109 THR OG1 : rot 53:sc= 1.07 USER MOD Set 3.1: A 74 CYS SG : rot 90:sc= -0.841 USER MOD Set 3.2: A 79 CYS SG : rot -156:sc= -0.0979 USER MOD Set 3.3: A 95 HIS : no HE2:sc= -1.65 K(o=-4.3,f=-5.1) USER MOD Set 3.4: A 99 THR OG1 : rot 157:sc= 0.463 USER MOD Set 3.5: A 101 HIS : no HE2:sc= -2.2 K(o=-4.3,f=-10) USER MOD Set 4.1: A 96 SER OG : rot 30:sc= -1.11! USER MOD Set 4.2: A 97 GLN : amide:sc= -6.86! C(o=-8!,f=-12!) USER MOD Set 5.1: A 93 THR OG1 : rot 78:sc= -0.381! USER MOD Set 5.2: A 115 TYR OH : rot 116:sc= -0.158 USER MOD Set 6.1: A 92 SER OG : rot -172:sc= 1.56 USER MOD Set 6.2: A 104 THR OG1 : rot 115:sc= 1.12! USER MOD Set 7.1: A 61 CYS SG : rot 145:sc= -0.359 USER MOD Set 7.2: A 64 CYS SG : rot -31:sc= 0.156 USER MOD Set 7.3: A 84 CYS SG : rot 180:sc= -0.797 USER MOD Set 7.4: A 91 HIS : no HE2:sc= -0.687 K(o=-1.7,f=-3.4) USER MOD Set 8.1: A 56 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.516) USER MOD Set 8.2: A 80 SER OG : rot -51:sc= 0.436 USER MOD Single : A 44 SER OG : rot -63:sc= 0.336 USER MOD Single : A 49 THR OG1 : rot 90:sc= 0.155 USER MOD Single : A 50 LYS NZ :NH3+ -168:sc= -0.249 (180deg=-0.572) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 57 SER OG : rot -41:sc= 1.11 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -3.53! C(o=-3.5!,f=-11!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.625 K(o=-0.62,f=-1.1!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -17:sc= 0.0892 USER MOD Single : A 88 GLN : amide:sc= -0.0633 X(o=-0.063,f=-0.052) USER MOD Single : A 100 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0791) USER MOD Single : A 102 TYR OH : rot 30:sc= -0.628 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0323 USER MOD Single : A 118 SER OG : rot 180:sc= -0.188 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N CYS A 39 16.005 0.681 3.796 1.00 0.00 N ATOM 60 CA CYS A 39 15.564 -0.404 2.928 1.00 0.00 C ATOM 61 C CYS A 39 15.511 0.065 1.467 1.00 0.00 C ATOM 62 O CYS A 39 14.982 1.136 1.168 1.00 0.00 O ATOM 63 CB CYS A 39 14.196 -0.923 3.397 1.00 0.00 C ATOM 64 SG CYS A 39 13.112 -1.524 2.078 1.00 0.00 S ATOM 0 HA CYS A 39 16.280 -1.223 2.987 1.00 0.00 H new ATOM 0 HB2 CYS A 39 14.356 -1.731 4.111 1.00 0.00 H new ATOM 0 HB3 CYS A 39 13.684 -0.122 3.931 1.00 0.00 H new ATOM 0 HG CYS A 39 13.528 -2.686 1.670 1.00 0.00 H new ATOM 69 N PRO A 40 16.069 -0.736 0.539 1.00 0.00 N ATOM 70 CA PRO A 40 16.093 -0.397 -0.892 1.00 0.00 C ATOM 71 C PRO A 40 14.712 -0.425 -1.539 1.00 0.00 C ATOM 72 O PRO A 40 14.364 0.468 -2.313 1.00 0.00 O ATOM 73 CB PRO A 40 16.983 -1.485 -1.499 1.00 0.00 C ATOM 74 CG PRO A 40 16.875 -2.634 -0.558 1.00 0.00 C ATOM 75 CD PRO A 40 16.726 -2.029 0.809 1.00 0.00 C ATOM 0 HA PRO A 40 16.453 0.619 -1.053 1.00 0.00 H new ATOM 0 HB2 PRO A 40 16.646 -1.759 -2.499 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.015 -1.146 -1.592 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.018 -3.262 -0.804 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.760 -3.268 -0.611 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.122 -2.658 1.463 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.691 -1.895 1.297 1.00 0.00 H new ATOM 83 N HIS A 41 13.930 -1.455 -1.229 1.00 0.00 N ATOM 84 CA HIS A 41 12.591 -1.600 -1.793 1.00 0.00 C ATOM 85 C HIS A 41 11.804 -0.291 -1.702 1.00 0.00 C ATOM 86 O HIS A 41 11.316 0.220 -2.710 1.00 0.00 O ATOM 87 CB HIS A 41 11.841 -2.724 -1.075 1.00 0.00 C ATOM 88 CG HIS A 41 12.670 -3.956 -0.858 1.00 0.00 C ATOM 89 ND1 HIS A 41 13.165 -4.279 0.382 1.00 0.00 N ATOM 90 CD2 HIS A 41 13.064 -4.897 -1.751 1.00 0.00 C ATOM 91 CE1 HIS A 41 13.846 -5.399 0.220 1.00 0.00 C ATOM 92 NE2 HIS A 41 13.813 -5.813 -1.056 1.00 0.00 N ATOM 0 H HIS A 41 14.200 -2.202 -0.590 1.00 0.00 H new ATOM 0 HA HIS A 41 12.692 -1.854 -2.848 1.00 0.00 H new ATOM 0 HB2 HIS A 41 11.491 -2.357 -0.110 1.00 0.00 H new ATOM 0 HB3 HIS A 41 10.957 -2.988 -1.656 1.00 0.00 H new ATOM 0 HD2 HIS A 41 12.833 -4.921 -2.806 1.00 0.00 H new ATOM 0 HE1 HIS A 41 14.364 -5.916 1.014 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.259 -6.648 -1.436 1.00 0.00 H new ATOM 100 N LEU A 42 11.693 0.248 -0.492 1.00 0.00 N ATOM 101 CA LEU A 42 10.975 1.498 -0.272 1.00 0.00 C ATOM 102 C LEU A 42 11.804 2.692 -0.735 1.00 0.00 C ATOM 103 O LEU A 42 11.261 3.696 -1.195 1.00 0.00 O ATOM 104 CB LEU A 42 10.621 1.653 1.210 1.00 0.00 C ATOM 105 CG LEU A 42 11.816 1.667 2.163 1.00 0.00 C ATOM 106 CD1 LEU A 42 12.320 3.088 2.367 1.00 0.00 C ATOM 107 CD2 LEU A 42 11.441 1.037 3.496 1.00 0.00 C ATOM 0 H LEU A 42 12.092 -0.162 0.352 1.00 0.00 H new ATOM 0 HA LEU A 42 10.056 1.468 -0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.062 2.580 1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.957 0.837 1.496 1.00 0.00 H new ATOM 0 HG LEU A 42 12.619 1.079 1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 42 13.171 3.078 3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 42 12.628 3.506 1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.523 3.699 2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.303 1.055 4.162 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.622 1.598 3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.128 0.005 3.336 1.00 0.00 H new ATOM 119 N ASP A 43 13.123 2.580 -0.610 1.00 0.00 N ATOM 120 CA ASP A 43 14.020 3.655 -1.019 1.00 0.00 C ATOM 121 C ASP A 43 13.907 3.930 -2.518 1.00 0.00 C ATOM 122 O ASP A 43 14.252 5.015 -2.985 1.00 0.00 O ATOM 123 CB ASP A 43 15.467 3.306 -0.660 1.00 0.00 C ATOM 124 CG ASP A 43 16.440 4.404 -1.039 1.00 0.00 C ATOM 125 OD1 ASP A 43 17.379 4.124 -1.815 1.00 0.00 O ATOM 126 OD2 ASP A 43 16.264 5.546 -0.563 1.00 0.00 O ATOM 0 H ASP A 43 13.593 1.758 -0.230 1.00 0.00 H new ATOM 0 HA ASP A 43 13.726 4.557 -0.483 1.00 0.00 H new ATOM 0 HB2 ASP A 43 15.537 3.117 0.411 1.00 0.00 H new ATOM 0 HB3 ASP A 43 15.751 2.383 -1.166 1.00 0.00 H new ATOM 131 N SER A 44 13.428 2.942 -3.269 1.00 0.00 N ATOM 132 CA SER A 44 13.281 3.085 -4.715 1.00 0.00 C ATOM 133 C SER A 44 11.953 3.749 -5.072 1.00 0.00 C ATOM 134 O SER A 44 11.901 4.623 -5.938 1.00 0.00 O ATOM 135 CB SER A 44 13.379 1.719 -5.395 1.00 0.00 C ATOM 136 OG SER A 44 12.440 0.809 -4.851 1.00 0.00 O ATOM 0 H SER A 44 13.136 2.036 -2.902 1.00 0.00 H new ATOM 0 HA SER A 44 14.089 3.723 -5.072 1.00 0.00 H new ATOM 0 HB2 SER A 44 13.205 1.829 -6.465 1.00 0.00 H new ATOM 0 HB3 SER A 44 14.387 1.321 -5.275 1.00 0.00 H new ATOM 0 HG SER A 44 12.642 0.658 -3.904 1.00 0.00 H new ATOM 142 N VAL A 45 10.882 3.329 -4.406 1.00 0.00 N ATOM 143 CA VAL A 45 9.558 3.886 -4.661 1.00 0.00 C ATOM 144 C VAL A 45 9.455 5.318 -4.148 1.00 0.00 C ATOM 145 O VAL A 45 9.734 5.593 -2.981 1.00 0.00 O ATOM 146 CB VAL A 45 8.450 3.039 -4.006 1.00 0.00 C ATOM 147 CG1 VAL A 45 8.407 1.648 -4.618 1.00 0.00 C ATOM 148 CG2 VAL A 45 8.651 2.960 -2.502 1.00 0.00 C ATOM 0 H VAL A 45 10.905 2.606 -3.687 1.00 0.00 H new ATOM 0 HA VAL A 45 9.418 3.877 -5.742 1.00 0.00 H new ATOM 0 HB VAL A 45 7.492 3.524 -4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.618 1.065 -4.142 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.206 1.727 -5.686 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.366 1.153 -4.465 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.858 2.357 -2.060 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.617 2.502 -2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.623 3.964 -2.078 1.00 0.00 H new ATOM 158 N GLY A 46 9.052 6.228 -5.029 1.00 0.00 N ATOM 159 CA GLY A 46 8.919 7.622 -4.647 1.00 0.00 C ATOM 160 C GLY A 46 7.911 7.823 -3.533 1.00 0.00 C ATOM 161 O GLY A 46 7.417 6.857 -2.953 1.00 0.00 O ATOM 0 H GLY A 46 8.815 6.025 -6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.889 8.003 -4.328 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.617 8.207 -5.516 1.00 0.00 H new ATOM 165 N GLU A 47 7.603 9.081 -3.235 1.00 0.00 N ATOM 166 CA GLU A 47 6.647 9.405 -2.184 1.00 0.00 C ATOM 167 C GLU A 47 5.268 9.689 -2.771 1.00 0.00 C ATOM 168 O GLU A 47 5.149 10.246 -3.862 1.00 0.00 O ATOM 169 CB GLU A 47 7.131 10.613 -1.380 1.00 0.00 C ATOM 170 CG GLU A 47 6.876 10.492 0.115 1.00 0.00 C ATOM 171 CD GLU A 47 8.151 10.565 0.933 1.00 0.00 C ATOM 172 OE1 GLU A 47 8.202 11.376 1.881 1.00 0.00 O ATOM 173 OE2 GLU A 47 9.096 9.809 0.627 1.00 0.00 O ATOM 0 H GLU A 47 8.002 9.892 -3.707 1.00 0.00 H new ATOM 0 HA GLU A 47 6.569 8.544 -1.521 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.200 10.746 -1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.636 11.509 -1.753 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.201 11.288 0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.372 9.547 0.318 1.00 0.00 H new ATOM 180 N ILE A 48 4.228 9.300 -2.039 1.00 0.00 N ATOM 181 CA ILE A 48 2.858 9.512 -2.487 1.00 0.00 C ATOM 182 C ILE A 48 2.342 10.880 -2.050 1.00 0.00 C ATOM 183 O ILE A 48 2.707 11.381 -0.986 1.00 0.00 O ATOM 184 CB ILE A 48 1.914 8.416 -1.950 1.00 0.00 C ATOM 185 CG1 ILE A 48 0.513 8.582 -2.542 1.00 0.00 C ATOM 186 CG2 ILE A 48 1.862 8.454 -0.429 1.00 0.00 C ATOM 187 CD1 ILE A 48 -0.265 7.287 -2.626 1.00 0.00 C ATOM 0 H ILE A 48 4.309 8.837 -1.134 1.00 0.00 H new ATOM 0 HA ILE A 48 2.869 9.465 -3.576 1.00 0.00 H new ATOM 0 HB ILE A 48 2.303 7.444 -2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.047 9.294 -1.936 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.598 9.011 -3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.191 7.674 -0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.861 8.288 -0.027 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.496 9.427 -0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.248 7.480 -3.055 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.273 6.579 -3.257 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.381 6.867 -1.627 1.00 0.00 H new ATOM 199 N THR A 49 1.492 11.478 -2.878 1.00 0.00 N ATOM 200 CA THR A 49 0.925 12.788 -2.577 1.00 0.00 C ATOM 201 C THR A 49 -0.361 12.654 -1.768 1.00 0.00 C ATOM 202 O THR A 49 -0.991 11.597 -1.757 1.00 0.00 O ATOM 203 CB THR A 49 0.651 13.557 -3.869 1.00 0.00 C ATOM 204 OG1 THR A 49 0.157 12.688 -4.874 1.00 0.00 O ATOM 205 CG2 THR A 49 1.874 14.253 -4.424 1.00 0.00 C ATOM 0 H THR A 49 1.180 11.077 -3.763 1.00 0.00 H new ATOM 0 HA THR A 49 1.651 13.341 -1.980 1.00 0.00 H new ATOM 0 HB THR A 49 -0.087 14.314 -3.603 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.821 12.650 -4.822 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.608 14.779 -5.341 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.250 14.967 -3.691 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.646 13.515 -4.640 1.00 0.00 H new ATOM 213 N LYS A 50 -0.745 13.733 -1.093 1.00 0.00 N ATOM 214 CA LYS A 50 -1.957 13.736 -0.283 1.00 0.00 C ATOM 215 C LYS A 50 -3.183 13.428 -1.137 1.00 0.00 C ATOM 216 O LYS A 50 -4.040 12.635 -0.746 1.00 0.00 O ATOM 217 CB LYS A 50 -2.128 15.090 0.412 1.00 0.00 C ATOM 218 CG LYS A 50 -1.707 15.080 1.873 1.00 0.00 C ATOM 219 CD LYS A 50 -1.701 16.483 2.459 1.00 0.00 C ATOM 220 CE LYS A 50 -2.987 16.776 3.214 1.00 0.00 C ATOM 221 NZ LYS A 50 -4.187 16.634 2.343 1.00 0.00 N ATOM 0 H LYS A 50 -0.234 14.616 -1.091 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.861 12.958 0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.543 15.839 -0.121 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.173 15.394 0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.387 14.448 2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.713 14.642 1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.850 16.594 3.131 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.573 17.212 1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.072 16.098 4.063 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.949 17.788 3.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.016 17.034 2.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.029 17.142 1.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.354 15.627 2.144 1.00 0.00 H new ATOM 235 N GLU A 51 -3.260 14.058 -2.305 1.00 0.00 N ATOM 236 CA GLU A 51 -4.382 13.849 -3.213 1.00 0.00 C ATOM 237 C GLU A 51 -4.495 12.379 -3.604 1.00 0.00 C ATOM 238 O GLU A 51 -5.592 11.866 -3.817 1.00 0.00 O ATOM 239 CB GLU A 51 -4.221 14.715 -4.464 1.00 0.00 C ATOM 240 CG GLU A 51 -5.081 15.968 -4.451 1.00 0.00 C ATOM 241 CD GLU A 51 -6.549 15.669 -4.687 1.00 0.00 C ATOM 242 OE1 GLU A 51 -6.895 15.246 -5.810 1.00 0.00 O ATOM 243 OE2 GLU A 51 -7.351 15.857 -3.749 1.00 0.00 O ATOM 0 H GLU A 51 -2.559 14.717 -2.645 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.297 14.140 -2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.175 15.004 -4.564 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.473 14.121 -5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.966 16.473 -3.492 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.726 16.656 -5.218 1.00 0.00 H new ATOM 250 N ASP A 52 -3.352 11.707 -3.695 1.00 0.00 N ATOM 251 CA ASP A 52 -3.324 10.296 -4.056 1.00 0.00 C ATOM 252 C ASP A 52 -3.840 9.434 -2.908 1.00 0.00 C ATOM 253 O ASP A 52 -4.616 8.503 -3.118 1.00 0.00 O ATOM 254 CB ASP A 52 -1.903 9.871 -4.430 1.00 0.00 C ATOM 255 CG ASP A 52 -1.529 10.283 -5.840 1.00 0.00 C ATOM 256 OD1 ASP A 52 -1.140 9.400 -6.634 1.00 0.00 O ATOM 257 OD2 ASP A 52 -1.624 11.490 -6.152 1.00 0.00 O ATOM 0 H ASP A 52 -2.434 12.117 -3.524 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.976 10.153 -4.918 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.197 10.313 -3.726 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.813 8.789 -4.335 1.00 0.00 H new ATOM 262 N LEU A 53 -3.403 9.754 -1.694 1.00 0.00 N ATOM 263 CA LEU A 53 -3.821 9.011 -0.510 1.00 0.00 C ATOM 264 C LEU A 53 -5.283 9.289 -0.177 1.00 0.00 C ATOM 265 O LEU A 53 -5.986 8.422 0.341 1.00 0.00 O ATOM 266 CB LEU A 53 -2.935 9.370 0.684 1.00 0.00 C ATOM 267 CG LEU A 53 -1.527 8.772 0.653 1.00 0.00 C ATOM 268 CD1 LEU A 53 -0.780 9.096 1.936 1.00 0.00 C ATOM 269 CD2 LEU A 53 -1.591 7.267 0.438 1.00 0.00 C ATOM 0 H LEU A 53 -2.760 10.523 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.714 7.948 -0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.850 10.455 0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.432 9.041 1.597 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.984 9.216 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.219 8.662 1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.702 10.177 2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.321 8.681 2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.580 6.859 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.153 6.807 1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.086 7.056 -0.510 1.00 0.00 H new ATOM 281 N ILE A 54 -5.735 10.504 -0.476 1.00 0.00 N ATOM 282 CA ILE A 54 -7.116 10.893 -0.206 1.00 0.00 C ATOM 283 C ILE A 54 -8.097 9.921 -0.859 1.00 0.00 C ATOM 284 O ILE A 54 -9.100 9.540 -0.256 1.00 0.00 O ATOM 285 CB ILE A 54 -7.399 12.333 -0.696 1.00 0.00 C ATOM 286 CG1 ILE A 54 -6.687 13.344 0.203 1.00 0.00 C ATOM 287 CG2 ILE A 54 -8.895 12.616 -0.727 1.00 0.00 C ATOM 288 CD1 ILE A 54 -6.328 14.635 -0.502 1.00 0.00 C ATOM 0 H ILE A 54 -5.167 11.235 -0.904 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.257 10.860 0.874 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.016 12.429 -1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.326 13.571 1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.778 12.890 0.597 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.065 13.635 -1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.384 11.915 -1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.308 12.501 0.275 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.826 15.304 0.197 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.664 14.420 -1.339 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.236 15.112 -0.872 1.00 0.00 H new ATOM 300 N GLN A 55 -7.801 9.517 -2.091 1.00 0.00 N ATOM 301 CA GLN A 55 -8.661 8.584 -2.810 1.00 0.00 C ATOM 302 C GLN A 55 -8.677 7.230 -2.116 1.00 0.00 C ATOM 303 O GLN A 55 -9.738 6.657 -1.875 1.00 0.00 O ATOM 304 CB GLN A 55 -8.193 8.434 -4.261 1.00 0.00 C ATOM 305 CG GLN A 55 -9.297 8.658 -5.280 1.00 0.00 C ATOM 306 CD GLN A 55 -8.782 8.669 -6.706 1.00 0.00 C ATOM 307 OE1 GLN A 55 -7.750 8.070 -7.010 1.00 0.00 O ATOM 308 NE2 GLN A 55 -9.499 9.353 -7.589 1.00 0.00 N ATOM 0 H GLN A 55 -6.976 9.819 -2.610 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.675 8.983 -2.812 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.386 9.143 -4.449 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.779 7.435 -4.399 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.048 7.875 -5.175 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.793 9.605 -5.070 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.348 9.835 -7.293 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.201 9.397 -8.563 1.00 0.00 H new ATOM 317 N LYS A 56 -7.497 6.734 -1.783 1.00 0.00 N ATOM 318 CA LYS A 56 -7.379 5.456 -1.096 1.00 0.00 C ATOM 319 C LYS A 56 -7.988 5.559 0.297 1.00 0.00 C ATOM 320 O LYS A 56 -8.539 4.592 0.824 1.00 0.00 O ATOM 321 CB LYS A 56 -5.912 5.033 -1.000 1.00 0.00 C ATOM 322 CG LYS A 56 -5.163 5.126 -2.319 1.00 0.00 C ATOM 323 CD LYS A 56 -3.733 5.604 -2.118 1.00 0.00 C ATOM 324 CE LYS A 56 -2.787 4.967 -3.122 1.00 0.00 C ATOM 325 NZ LYS A 56 -2.831 5.656 -4.441 1.00 0.00 N ATOM 0 H LYS A 56 -6.608 7.195 -1.976 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.919 4.700 -1.666 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.410 5.659 -0.262 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.862 4.007 -0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.156 4.150 -2.804 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.686 5.810 -2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.694 6.689 -2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.407 5.364 -1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.770 4.996 -2.731 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.049 3.917 -3.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.909 5.562 -4.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.568 5.224 -5.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.047 6.664 -4.299 1.00 0.00 H new ATOM 339 N SER A 57 -7.885 6.749 0.883 1.00 0.00 N ATOM 340 CA SER A 57 -8.420 7.006 2.214 1.00 0.00 C ATOM 341 C SER A 57 -9.948 7.048 2.206 1.00 0.00 C ATOM 342 O SER A 57 -10.577 7.030 3.264 1.00 0.00 O ATOM 343 CB SER A 57 -7.864 8.323 2.762 1.00 0.00 C ATOM 344 OG SER A 57 -8.651 9.426 2.347 1.00 0.00 O ATOM 0 H SER A 57 -7.432 7.555 0.452 1.00 0.00 H new ATOM 0 HA SER A 57 -8.109 6.185 2.861 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.835 8.283 3.851 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.837 8.457 2.421 1.00 0.00 H new ATOM 0 HG SER A 57 -8.903 9.313 1.407 1.00 0.00 H new ATOM 350 N LEU A 58 -10.546 7.109 1.016 1.00 0.00 N ATOM 351 CA LEU A 58 -12.001 7.160 0.907 1.00 0.00 C ATOM 352 C LEU A 58 -12.637 5.899 1.491 1.00 0.00 C ATOM 353 O LEU A 58 -13.820 5.891 1.827 1.00 0.00 O ATOM 354 CB LEU A 58 -12.424 7.329 -0.554 1.00 0.00 C ATOM 355 CG LEU A 58 -12.362 8.762 -1.085 1.00 0.00 C ATOM 356 CD1 LEU A 58 -12.372 8.768 -2.605 1.00 0.00 C ATOM 357 CD2 LEU A 58 -13.523 9.582 -0.540 1.00 0.00 C ATOM 0 H LEU A 58 -10.051 7.124 0.124 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.350 8.020 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.787 6.700 -1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.444 6.960 -0.666 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.431 9.216 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.327 9.796 -2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.509 8.216 -2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -13.287 8.297 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.464 10.599 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.465 9.130 -0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.473 9.605 0.549 1.00 0.00 H new ATOM 369 N GLY A 59 -11.843 4.840 1.624 1.00 0.00 N ATOM 370 CA GLY A 59 -12.349 3.600 2.186 1.00 0.00 C ATOM 371 C GLY A 59 -12.922 2.659 1.144 1.00 0.00 C ATOM 372 O GLY A 59 -13.985 2.074 1.352 1.00 0.00 O ATOM 0 H GLY A 59 -10.860 4.818 1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.543 3.095 2.718 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.120 3.830 2.921 1.00 0.00 H new ATOM 376 N THR A 60 -12.218 2.501 0.028 1.00 0.00 N ATOM 377 CA THR A 60 -12.673 1.609 -1.033 1.00 0.00 C ATOM 378 C THR A 60 -11.495 0.911 -1.703 1.00 0.00 C ATOM 379 O THR A 60 -10.464 1.529 -1.970 1.00 0.00 O ATOM 380 CB THR A 60 -13.479 2.389 -2.073 1.00 0.00 C ATOM 381 OG1 THR A 60 -12.619 3.146 -2.907 1.00 0.00 O ATOM 382 CG2 THR A 60 -14.483 3.342 -1.463 1.00 0.00 C ATOM 0 H THR A 60 -11.336 2.975 -0.165 1.00 0.00 H new ATOM 0 HA THR A 60 -13.312 0.849 -0.584 1.00 0.00 H new ATOM 0 HB THR A 60 -14.021 1.635 -2.643 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.152 3.637 -3.567 1.00 0.00 H new ATOM 0 HG21 THR A 60 -15.020 3.862 -2.256 1.00 0.00 H new ATOM 0 HG22 THR A 60 -15.192 2.782 -0.852 1.00 0.00 H new ATOM 0 HG23 THR A 60 -13.962 4.069 -0.840 1.00 0.00 H new ATOM 390 N CYS A 61 -11.656 -0.380 -1.980 1.00 0.00 N ATOM 391 CA CYS A 61 -10.608 -1.160 -2.627 1.00 0.00 C ATOM 392 C CYS A 61 -10.713 -1.054 -4.145 1.00 0.00 C ATOM 393 O CYS A 61 -11.810 -0.986 -4.697 1.00 0.00 O ATOM 394 CB CYS A 61 -10.686 -2.625 -2.195 1.00 0.00 C ATOM 395 SG CYS A 61 -9.274 -3.624 -2.724 1.00 0.00 S ATOM 0 H CYS A 61 -12.503 -0.907 -1.766 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.645 -0.754 -2.318 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -10.763 -2.669 -1.109 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.599 -3.064 -2.597 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.000 -4.506 -1.809 1.00 0.00 H new ATOM 400 N GLN A 62 -9.566 -1.039 -4.813 1.00 0.00 N ATOM 401 CA GLN A 62 -9.529 -0.940 -6.268 1.00 0.00 C ATOM 402 C GLN A 62 -9.869 -2.277 -6.922 1.00 0.00 C ATOM 403 O GLN A 62 -10.478 -2.318 -7.991 1.00 0.00 O ATOM 404 CB GLN A 62 -8.150 -0.469 -6.731 1.00 0.00 C ATOM 405 CG GLN A 62 -8.194 0.440 -7.948 1.00 0.00 C ATOM 406 CD GLN A 62 -7.680 1.836 -7.655 1.00 0.00 C ATOM 407 OE1 GLN A 62 -6.569 2.008 -7.152 1.00 0.00 O ATOM 408 NE2 GLN A 62 -8.489 2.842 -7.966 1.00 0.00 N ATOM 0 H GLN A 62 -8.649 -1.094 -4.371 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.279 -0.211 -6.573 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.662 0.058 -5.912 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.536 -1.340 -6.961 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.599 -0.001 -8.748 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.220 0.504 -8.312 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.401 2.653 -8.381 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.198 3.804 -7.790 1.00 0.00 H new ATOM 417 N ASP A 63 -9.466 -3.367 -6.278 1.00 0.00 N ATOM 418 CA ASP A 63 -9.723 -4.704 -6.803 1.00 0.00 C ATOM 419 C ASP A 63 -11.141 -5.163 -6.474 1.00 0.00 C ATOM 420 O ASP A 63 -11.894 -5.567 -7.361 1.00 0.00 O ATOM 421 CB ASP A 63 -8.710 -5.700 -6.236 1.00 0.00 C ATOM 422 CG ASP A 63 -7.445 -5.776 -7.069 1.00 0.00 C ATOM 423 OD1 ASP A 63 -7.169 -4.815 -7.817 1.00 0.00 O ATOM 424 OD2 ASP A 63 -6.732 -6.796 -6.973 1.00 0.00 O ATOM 0 H ASP A 63 -8.960 -3.352 -5.392 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.619 -4.663 -7.887 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.454 -5.412 -5.216 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.167 -6.688 -6.183 1.00 0.00 H new ATOM 429 N CYS A 64 -11.497 -5.102 -5.196 1.00 0.00 N ATOM 430 CA CYS A 64 -12.824 -5.514 -4.752 1.00 0.00 C ATOM 431 C CYS A 64 -13.547 -4.361 -4.058 1.00 0.00 C ATOM 432 O CYS A 64 -13.136 -3.206 -4.165 1.00 0.00 O ATOM 433 CB CYS A 64 -12.714 -6.717 -3.810 1.00 0.00 C ATOM 434 SG CYS A 64 -11.890 -6.359 -2.240 1.00 0.00 S ATOM 0 H CYS A 64 -10.886 -4.771 -4.449 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.406 -5.802 -5.627 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -13.715 -7.095 -3.604 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -12.171 -7.514 -4.319 1.00 0.00 H new ATOM 0 HG CYS A 64 -11.001 -5.428 -2.419 1.00 0.00 H new ATOM 439 N LYS A 65 -14.624 -4.680 -3.347 1.00 0.00 N ATOM 440 CA LYS A 65 -15.398 -3.668 -2.639 1.00 0.00 C ATOM 441 C LYS A 65 -15.180 -3.773 -1.133 1.00 0.00 C ATOM 442 O LYS A 65 -15.728 -4.659 -0.476 1.00 0.00 O ATOM 443 CB LYS A 65 -16.886 -3.815 -2.963 1.00 0.00 C ATOM 444 CG LYS A 65 -17.609 -2.486 -3.121 1.00 0.00 C ATOM 445 CD LYS A 65 -18.396 -2.128 -1.870 1.00 0.00 C ATOM 446 CE LYS A 65 -19.868 -2.479 -2.018 1.00 0.00 C ATOM 447 NZ LYS A 65 -20.701 -1.278 -2.301 1.00 0.00 N ATOM 0 H LYS A 65 -14.980 -5.631 -3.246 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.057 -2.687 -2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -16.994 -4.389 -3.883 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.367 -4.389 -2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -16.885 -1.700 -3.334 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -18.284 -2.537 -3.975 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -17.979 -2.657 -1.013 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -18.294 -1.062 -1.667 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -19.989 -3.203 -2.824 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -20.220 -2.958 -1.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -21.697 -1.561 -2.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -20.606 -0.598 -1.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -20.382 -0.835 -3.186 1.00 0.00 H new ATOM 529 N LEU A 71 -7.676 -0.215 5.139 1.00 0.00 N ATOM 530 CA LEU A 71 -7.382 -0.304 3.713 1.00 0.00 C ATOM 531 C LEU A 71 -5.927 0.055 3.429 1.00 0.00 C ATOM 532 O LEU A 71 -5.352 0.927 4.082 1.00 0.00 O ATOM 533 CB LEU A 71 -8.314 0.617 2.920 1.00 0.00 C ATOM 534 CG LEU A 71 -9.567 -0.057 2.358 1.00 0.00 C ATOM 535 CD1 LEU A 71 -10.379 0.929 1.534 1.00 0.00 C ATOM 536 CD2 LEU A 71 -9.188 -1.270 1.522 1.00 0.00 C ATOM 0 HA LEU A 71 -7.547 -1.335 3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.621 1.440 3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.752 1.052 2.093 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.182 -0.393 3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.266 0.432 1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.680 1.767 2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.773 1.296 0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.091 -1.738 1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.552 -0.957 0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.649 -1.986 2.143 1.00 0.00 H new ATOM 548 N TRP A 72 -5.336 -0.623 2.449 1.00 0.00 N ATOM 549 CA TRP A 72 -3.948 -0.378 2.078 1.00 0.00 C ATOM 550 C TRP A 72 -3.853 0.202 0.671 1.00 0.00 C ATOM 551 O TRP A 72 -4.780 0.076 -0.128 1.00 0.00 O ATOM 552 CB TRP A 72 -3.139 -1.673 2.164 1.00 0.00 C ATOM 553 CG TRP A 72 -3.133 -2.281 3.533 1.00 0.00 C ATOM 554 CD1 TRP A 72 -4.216 -2.699 4.250 1.00 0.00 C ATOM 555 CD2 TRP A 72 -1.986 -2.537 4.352 1.00 0.00 C ATOM 556 NE1 TRP A 72 -3.814 -3.200 5.464 1.00 0.00 N ATOM 557 CE2 TRP A 72 -2.450 -3.111 5.551 1.00 0.00 C ATOM 558 CE3 TRP A 72 -0.612 -2.337 4.188 1.00 0.00 C ATOM 559 CZ2 TRP A 72 -1.588 -3.487 6.578 1.00 0.00 C ATOM 560 CZ3 TRP A 72 0.242 -2.710 5.209 1.00 0.00 C ATOM 561 CH2 TRP A 72 -0.248 -3.279 6.390 1.00 0.00 C ATOM 0 H TRP A 72 -5.798 -1.346 1.898 1.00 0.00 H new ATOM 0 HA TRP A 72 -3.535 0.348 2.778 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.546 -2.395 1.456 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.112 -1.472 1.859 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.240 -2.644 3.912 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.431 -3.577 6.184 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.225 -1.899 3.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.963 -3.927 7.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.305 -2.560 5.093 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.445 -3.560 7.169 1.00 0.00 H new ATOM 572 N ALA A 73 -2.725 0.839 0.377 1.00 0.00 N ATOM 573 CA ALA A 73 -2.506 1.438 -0.933 1.00 0.00 C ATOM 574 C ALA A 73 -1.053 1.280 -1.369 1.00 0.00 C ATOM 575 O ALA A 73 -0.135 1.401 -0.557 1.00 0.00 O ATOM 576 CB ALA A 73 -2.899 2.909 -0.911 1.00 0.00 C ATOM 0 H ALA A 73 -1.949 0.954 1.028 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.133 0.918 -1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.731 3.345 -1.896 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.953 3.000 -0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.295 3.436 -0.173 1.00 0.00 H new ATOM 582 N CYS A 74 -0.850 1.011 -2.655 1.00 0.00 N ATOM 583 CA CYS A 74 0.495 0.838 -3.193 1.00 0.00 C ATOM 584 C CYS A 74 1.354 2.067 -2.909 1.00 0.00 C ATOM 585 O CYS A 74 0.923 3.201 -3.122 1.00 0.00 O ATOM 586 CB CYS A 74 0.437 0.575 -4.699 1.00 0.00 C ATOM 587 SG CYS A 74 1.994 -0.010 -5.403 1.00 0.00 S ATOM 0 H CYS A 74 -1.597 0.908 -3.342 1.00 0.00 H new ATOM 0 HA CYS A 74 0.949 -0.022 -2.702 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.340 -0.163 -4.899 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.143 1.494 -5.207 1.00 0.00 H new ATOM 0 HG CYS A 74 2.031 -1.309 -5.355 1.00 0.00 H new ATOM 592 N LEU A 75 2.567 1.834 -2.417 1.00 0.00 N ATOM 593 CA LEU A 75 3.481 2.924 -2.091 1.00 0.00 C ATOM 594 C LEU A 75 4.267 3.387 -3.319 1.00 0.00 C ATOM 595 O LEU A 75 4.870 4.460 -3.305 1.00 0.00 O ATOM 596 CB LEU A 75 4.446 2.487 -0.987 1.00 0.00 C ATOM 597 CG LEU A 75 5.218 3.626 -0.318 1.00 0.00 C ATOM 598 CD1 LEU A 75 4.445 4.167 0.874 1.00 0.00 C ATOM 599 CD2 LEU A 75 6.601 3.153 0.109 1.00 0.00 C ATOM 0 H LEU A 75 2.940 0.902 -2.235 1.00 0.00 H new ATOM 0 HA LEU A 75 2.884 3.765 -1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.882 1.952 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.162 1.781 -1.409 1.00 0.00 H new ATOM 0 HG LEU A 75 5.339 4.432 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.010 4.976 1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.478 4.544 0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.292 3.369 1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.137 3.976 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.502 2.329 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.156 2.815 -0.766 1.00 0.00 H new ATOM 611 N GLU A 76 4.259 2.579 -4.377 1.00 0.00 N ATOM 612 CA GLU A 76 4.973 2.924 -5.602 1.00 0.00 C ATOM 613 C GLU A 76 4.510 4.275 -6.140 1.00 0.00 C ATOM 614 O GLU A 76 3.313 4.550 -6.207 1.00 0.00 O ATOM 615 CB GLU A 76 4.765 1.839 -6.660 1.00 0.00 C ATOM 616 CG GLU A 76 5.674 1.984 -7.869 1.00 0.00 C ATOM 617 CD GLU A 76 7.136 1.773 -7.527 1.00 0.00 C ATOM 618 OE1 GLU A 76 7.562 0.602 -7.439 1.00 0.00 O ATOM 619 OE2 GLU A 76 7.855 2.778 -7.348 1.00 0.00 O ATOM 0 H GLU A 76 3.768 1.685 -4.410 1.00 0.00 H new ATOM 0 HA GLU A 76 6.035 2.993 -5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.933 0.863 -6.205 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.727 1.862 -6.992 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.376 1.265 -8.632 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.545 2.977 -8.299 1.00 0.00 H new ATOM 626 N ASN A 77 5.467 5.117 -6.518 1.00 0.00 N ATOM 627 CA ASN A 77 5.156 6.442 -7.045 1.00 0.00 C ATOM 628 C ASN A 77 4.428 6.345 -8.381 1.00 0.00 C ATOM 629 O ASN A 77 3.496 7.104 -8.648 1.00 0.00 O ATOM 630 CB ASN A 77 6.437 7.262 -7.208 1.00 0.00 C ATOM 631 CG ASN A 77 6.169 8.674 -7.660 1.00 0.00 C ATOM 632 OD1 ASN A 77 5.022 9.078 -7.848 1.00 0.00 O ATOM 633 ND2 ASN A 77 7.237 9.434 -7.836 1.00 0.00 N ATOM 0 H ASN A 77 6.464 4.906 -6.469 1.00 0.00 H new ATOM 0 HA ASN A 77 4.499 6.941 -6.332 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.973 7.284 -6.259 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.089 6.771 -7.931 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.130 10.401 -8.141 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.168 9.053 -7.667 1.00 0.00 H new ATOM 640 N ARG A 78 4.861 5.411 -9.217 1.00 0.00 N ATOM 641 CA ARG A 78 4.255 5.214 -10.528 1.00 0.00 C ATOM 642 C ARG A 78 2.930 4.464 -10.418 1.00 0.00 C ATOM 643 O ARG A 78 2.070 4.579 -11.291 1.00 0.00 O ATOM 644 CB ARG A 78 5.213 4.449 -11.445 1.00 0.00 C ATOM 645 CG ARG A 78 6.033 5.349 -12.355 1.00 0.00 C ATOM 646 CD ARG A 78 5.198 5.891 -13.506 1.00 0.00 C ATOM 647 NE ARG A 78 5.862 5.710 -14.795 1.00 0.00 N ATOM 648 CZ ARG A 78 5.380 6.172 -15.948 1.00 0.00 C ATOM 649 NH1 ARG A 78 4.234 6.843 -15.975 1.00 0.00 N ATOM 650 NH2 ARG A 78 6.047 5.965 -17.074 1.00 0.00 N ATOM 0 H ARG A 78 5.632 4.776 -9.010 1.00 0.00 H new ATOM 0 HA ARG A 78 4.056 6.197 -10.956 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.889 3.852 -10.833 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.639 3.753 -12.057 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.439 6.179 -11.777 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.881 4.791 -12.751 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.232 5.387 -13.522 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.002 6.951 -13.344 1.00 0.00 H new ATOM 0 HE ARG A 78 6.745 5.201 -14.813 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.718 7.007 -15.110 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.870 7.194 -16.860 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.929 5.452 -17.058 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.679 6.318 -17.957 1.00 0.00 H new ATOM 664 N CYS A 79 2.772 3.693 -9.346 1.00 0.00 N ATOM 665 CA CYS A 79 1.551 2.924 -9.134 1.00 0.00 C ATOM 666 C CYS A 79 0.623 3.625 -8.147 1.00 0.00 C ATOM 667 O CYS A 79 1.055 4.089 -7.092 1.00 0.00 O ATOM 668 CB CYS A 79 1.891 1.525 -8.620 1.00 0.00 C ATOM 669 SG CYS A 79 0.733 0.240 -9.147 1.00 0.00 S ATOM 0 H CYS A 79 3.473 3.585 -8.613 1.00 0.00 H new ATOM 0 HA CYS A 79 1.036 2.842 -10.091 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.892 1.258 -8.960 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.920 1.548 -7.531 1.00 0.00 H new ATOM 0 HG CYS A 79 0.776 -0.753 -8.309 1.00 0.00 H new ATOM 674 N SER A 80 -0.657 3.689 -8.496 1.00 0.00 N ATOM 675 CA SER A 80 -1.655 4.324 -7.640 1.00 0.00 C ATOM 676 C SER A 80 -2.830 3.382 -7.406 1.00 0.00 C ATOM 677 O SER A 80 -3.988 3.802 -7.403 1.00 0.00 O ATOM 678 CB SER A 80 -2.146 5.628 -8.272 1.00 0.00 C ATOM 679 OG SER A 80 -2.957 6.358 -7.370 1.00 0.00 O ATOM 0 H SER A 80 -1.029 3.309 -9.366 1.00 0.00 H new ATOM 0 HA SER A 80 -1.192 4.552 -6.680 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.292 6.235 -8.571 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.712 5.407 -9.177 1.00 0.00 H new ATOM 0 HG SER A 80 -3.654 5.771 -7.008 1.00 0.00 H new ATOM 685 N TYR A 81 -2.523 2.103 -7.219 1.00 0.00 N ATOM 686 CA TYR A 81 -3.547 1.091 -6.992 1.00 0.00 C ATOM 687 C TYR A 81 -3.887 0.970 -5.510 1.00 0.00 C ATOM 688 O TYR A 81 -3.036 1.174 -4.646 1.00 0.00 O ATOM 689 CB TYR A 81 -3.078 -0.262 -7.528 1.00 0.00 C ATOM 690 CG TYR A 81 -3.472 -0.514 -8.967 1.00 0.00 C ATOM 691 CD1 TYR A 81 -4.183 -1.653 -9.323 1.00 0.00 C ATOM 692 CD2 TYR A 81 -3.133 0.389 -9.967 1.00 0.00 C ATOM 693 CE1 TYR A 81 -4.544 -1.886 -10.636 1.00 0.00 C ATOM 694 CE2 TYR A 81 -3.492 0.162 -11.283 1.00 0.00 C ATOM 695 CZ TYR A 81 -4.197 -0.976 -11.611 1.00 0.00 C ATOM 696 OH TYR A 81 -4.555 -1.205 -12.920 1.00 0.00 O ATOM 0 H TYR A 81 -1.569 1.742 -7.220 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.447 1.400 -7.524 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.993 -0.321 -7.442 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.491 -1.054 -6.903 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -4.458 -2.368 -8.561 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -2.581 1.282 -9.713 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -5.096 -2.777 -10.897 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -3.221 0.873 -12.050 1.00 0.00 H new ATOM 0 HH TYR A 81 -4.235 -0.467 -13.480 1.00 0.00 H new ATOM 706 N VAL A 82 -5.141 0.629 -5.228 1.00 0.00 N ATOM 707 CA VAL A 82 -5.605 0.471 -3.855 1.00 0.00 C ATOM 708 C VAL A 82 -5.967 -0.983 -3.573 1.00 0.00 C ATOM 709 O VAL A 82 -6.711 -1.604 -4.332 1.00 0.00 O ATOM 710 CB VAL A 82 -6.831 1.357 -3.564 1.00 0.00 C ATOM 711 CG1 VAL A 82 -7.082 1.448 -2.067 1.00 0.00 C ATOM 712 CG2 VAL A 82 -6.649 2.742 -4.167 1.00 0.00 C ATOM 0 H VAL A 82 -5.855 0.456 -5.935 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.786 0.780 -3.205 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.704 0.898 -4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.952 2.078 -1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.265 0.450 -1.667 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.210 1.881 -1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.526 3.352 -3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.765 3.213 -3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.526 2.655 -5.247 1.00 0.00 H new ATOM 722 N GLY A 83 -5.436 -1.525 -2.481 1.00 0.00 N ATOM 723 CA GLY A 83 -5.718 -2.905 -2.133 1.00 0.00 C ATOM 724 C GLY A 83 -5.855 -3.120 -0.638 1.00 0.00 C ATOM 725 O GLY A 83 -5.404 -2.299 0.161 1.00 0.00 O ATOM 0 H GLY A 83 -4.818 -1.035 -1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.638 -3.218 -2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.920 -3.541 -2.515 1.00 0.00 H new ATOM 729 N CYS A 84 -6.478 -4.232 -0.262 1.00 0.00 N ATOM 730 CA CYS A 84 -6.673 -4.564 1.145 1.00 0.00 C ATOM 731 C CYS A 84 -5.689 -5.645 1.586 1.00 0.00 C ATOM 732 O CYS A 84 -5.375 -6.560 0.824 1.00 0.00 O ATOM 733 CB CYS A 84 -8.112 -5.026 1.393 1.00 0.00 C ATOM 734 SG CYS A 84 -8.742 -6.200 0.167 1.00 0.00 S ATOM 0 H CYS A 84 -6.857 -4.920 -0.913 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.488 -3.666 1.735 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.168 -5.485 2.380 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -8.763 -4.152 1.410 1.00 0.00 H new ATOM 0 HG CYS A 84 -9.963 -6.528 0.468 1.00 0.00 H new ATOM 739 N GLY A 85 -5.200 -5.526 2.816 1.00 0.00 N ATOM 740 CA GLY A 85 -4.248 -6.490 3.337 1.00 0.00 C ATOM 741 C GLY A 85 -4.873 -7.839 3.639 1.00 0.00 C ATOM 742 O GLY A 85 -5.984 -8.132 3.195 1.00 0.00 O ATOM 0 H GLY A 85 -5.447 -4.777 3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.442 -6.623 2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.798 -6.093 4.247 1.00 0.00 H new ATOM 746 N GLU A 86 -4.152 -8.661 4.397 1.00 0.00 N ATOM 747 CA GLU A 86 -4.629 -9.991 4.764 1.00 0.00 C ATOM 748 C GLU A 86 -5.940 -9.919 5.545 1.00 0.00 C ATOM 749 O GLU A 86 -6.665 -10.908 5.644 1.00 0.00 O ATOM 750 CB GLU A 86 -3.567 -10.720 5.592 1.00 0.00 C ATOM 751 CG GLU A 86 -3.152 -12.058 5.004 1.00 0.00 C ATOM 752 CD GLU A 86 -1.869 -12.589 5.612 1.00 0.00 C ATOM 753 OE1 GLU A 86 -1.671 -12.408 6.832 1.00 0.00 O ATOM 754 OE2 GLU A 86 -1.062 -13.185 4.868 1.00 0.00 O ATOM 0 H GLU A 86 -3.232 -8.428 4.770 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.815 -10.545 3.844 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.687 -10.083 5.681 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.950 -10.878 6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.951 -12.783 5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.023 -11.953 3.927 1.00 0.00 H new ATOM 761 N SER A 87 -6.238 -8.748 6.100 1.00 0.00 N ATOM 762 CA SER A 87 -7.461 -8.562 6.871 1.00 0.00 C ATOM 763 C SER A 87 -8.698 -8.785 6.004 1.00 0.00 C ATOM 764 O SER A 87 -9.796 -9.001 6.518 1.00 0.00 O ATOM 765 CB SER A 87 -7.498 -7.158 7.478 1.00 0.00 C ATOM 766 OG SER A 87 -8.647 -6.981 8.287 1.00 0.00 O ATOM 0 H SER A 87 -5.651 -7.917 6.030 1.00 0.00 H new ATOM 0 HA SER A 87 -7.466 -9.300 7.673 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.601 -6.993 8.075 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.493 -6.414 6.681 1.00 0.00 H new ATOM 0 HG SER A 87 -9.306 -7.675 8.076 1.00 0.00 H new ATOM 772 N GLN A 88 -8.518 -8.730 4.686 1.00 0.00 N ATOM 773 CA GLN A 88 -9.623 -8.928 3.756 1.00 0.00 C ATOM 774 C GLN A 88 -9.329 -10.075 2.793 1.00 0.00 C ATOM 775 O GLN A 88 -9.909 -11.155 2.906 1.00 0.00 O ATOM 776 CB GLN A 88 -9.888 -7.643 2.971 1.00 0.00 C ATOM 777 CG GLN A 88 -10.502 -6.534 3.809 1.00 0.00 C ATOM 778 CD GLN A 88 -11.932 -6.834 4.214 1.00 0.00 C ATOM 779 OE1 GLN A 88 -12.246 -6.931 5.400 1.00 0.00 O ATOM 780 NE2 GLN A 88 -12.807 -6.984 3.227 1.00 0.00 N ATOM 0 H GLN A 88 -7.618 -8.550 4.240 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.511 -9.185 4.334 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.950 -7.288 2.544 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.553 -7.867 2.137 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.899 -6.383 4.704 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.476 -5.601 3.246 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.503 -6.895 2.258 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.784 -7.188 3.438 1.00 0.00 H new ATOM 789 N VAL A 89 -8.428 -9.835 1.845 1.00 0.00 N ATOM 790 CA VAL A 89 -8.066 -10.852 0.864 1.00 0.00 C ATOM 791 C VAL A 89 -6.584 -10.779 0.497 1.00 0.00 C ATOM 792 O VAL A 89 -6.163 -11.326 -0.522 1.00 0.00 O ATOM 793 CB VAL A 89 -8.903 -10.714 -0.422 1.00 0.00 C ATOM 794 CG1 VAL A 89 -8.710 -11.928 -1.319 1.00 0.00 C ATOM 795 CG2 VAL A 89 -10.375 -10.521 -0.086 1.00 0.00 C ATOM 0 H VAL A 89 -7.937 -8.948 1.736 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.272 -11.816 1.329 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.559 -9.832 -0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.309 -11.812 -2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.658 -12.016 -1.590 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.024 -12.826 -0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.949 -10.426 -1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.735 -11.381 0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.496 -9.618 0.512 1.00 0.00 H new ATOM 805 N ASP A 90 -5.795 -10.103 1.329 1.00 0.00 N ATOM 806 CA ASP A 90 -4.361 -9.968 1.084 1.00 0.00 C ATOM 807 C ASP A 90 -4.090 -9.436 -0.322 1.00 0.00 C ATOM 808 O ASP A 90 -3.077 -9.766 -0.940 1.00 0.00 O ATOM 809 CB ASP A 90 -3.663 -11.316 1.273 1.00 0.00 C ATOM 810 CG ASP A 90 -2.221 -11.163 1.715 1.00 0.00 C ATOM 811 OD1 ASP A 90 -1.925 -10.195 2.447 1.00 0.00 O ATOM 812 OD2 ASP A 90 -1.389 -12.011 1.331 1.00 0.00 O ATOM 0 H ASP A 90 -6.123 -9.641 2.177 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.963 -9.253 1.804 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.207 -11.903 2.013 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.696 -11.874 0.337 1.00 0.00 H new ATOM 817 N HIS A 91 -5.001 -8.602 -0.817 1.00 0.00 N ATOM 818 CA HIS A 91 -4.862 -8.017 -2.146 1.00 0.00 C ATOM 819 C HIS A 91 -3.524 -7.304 -2.282 1.00 0.00 C ATOM 820 O HIS A 91 -2.892 -7.341 -3.338 1.00 0.00 O ATOM 821 CB HIS A 91 -6.006 -7.036 -2.415 1.00 0.00 C ATOM 822 CG HIS A 91 -7.166 -7.651 -3.135 1.00 0.00 C ATOM 823 ND1 HIS A 91 -8.444 -7.179 -2.965 1.00 0.00 N ATOM 824 CD2 HIS A 91 -7.188 -8.689 -4.004 1.00 0.00 C ATOM 825 CE1 HIS A 91 -9.213 -7.934 -3.729 1.00 0.00 C ATOM 826 NE2 HIS A 91 -8.496 -8.864 -4.379 1.00 0.00 N ATOM 0 H HIS A 91 -5.843 -8.317 -0.317 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.903 -8.822 -2.880 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.353 -6.627 -1.466 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.626 -6.200 -3.002 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -8.739 -6.404 -2.371 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.339 -9.268 -4.338 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.283 -7.818 -3.819 1.00 0.00 H new ATOM 834 N SER A 92 -3.093 -6.660 -1.202 1.00 0.00 N ATOM 835 CA SER A 92 -1.823 -5.944 -1.198 1.00 0.00 C ATOM 836 C SER A 92 -0.671 -6.895 -1.504 1.00 0.00 C ATOM 837 O SER A 92 0.286 -6.528 -2.188 1.00 0.00 O ATOM 838 CB SER A 92 -1.599 -5.267 0.156 1.00 0.00 C ATOM 839 OG SER A 92 -1.098 -3.952 -0.008 1.00 0.00 O ATOM 0 H SER A 92 -3.604 -6.619 -0.320 1.00 0.00 H new ATOM 0 HA SER A 92 -1.858 -5.179 -1.973 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.537 -5.236 0.710 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.898 -5.855 0.749 1.00 0.00 H new ATOM 0 HG SER A 92 -0.847 -3.586 0.866 1.00 0.00 H new ATOM 845 N THR A 93 -0.772 -8.120 -0.999 1.00 0.00 N ATOM 846 CA THR A 93 0.260 -9.124 -1.223 1.00 0.00 C ATOM 847 C THR A 93 0.238 -9.598 -2.671 1.00 0.00 C ATOM 848 O THR A 93 1.271 -9.624 -3.343 1.00 0.00 O ATOM 849 CB THR A 93 0.062 -10.311 -0.279 1.00 0.00 C ATOM 850 OG1 THR A 93 0.121 -9.890 1.073 1.00 0.00 O ATOM 851 CG2 THR A 93 1.094 -11.403 -0.463 1.00 0.00 C ATOM 0 H THR A 93 -1.557 -8.441 -0.433 1.00 0.00 H new ATOM 0 HA THR A 93 1.230 -8.671 -1.019 1.00 0.00 H new ATOM 0 HB THR A 93 -0.919 -10.716 -0.527 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.729 -9.472 1.323 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.895 -12.214 0.238 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.043 -11.784 -1.483 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.089 -10.999 -0.276 1.00 0.00 H new ATOM 859 N ILE A 94 -0.946 -9.962 -3.154 1.00 0.00 N ATOM 860 CA ILE A 94 -1.091 -10.425 -4.529 1.00 0.00 C ATOM 861 C ILE A 94 -0.607 -9.356 -5.499 1.00 0.00 C ATOM 862 O ILE A 94 0.205 -9.625 -6.384 1.00 0.00 O ATOM 863 CB ILE A 94 -2.551 -10.785 -4.873 1.00 0.00 C ATOM 864 CG1 ILE A 94 -3.221 -11.511 -3.701 1.00 0.00 C ATOM 865 CG2 ILE A 94 -2.597 -11.639 -6.134 1.00 0.00 C ATOM 866 CD1 ILE A 94 -4.572 -12.105 -4.040 1.00 0.00 C ATOM 0 H ILE A 94 -1.813 -9.946 -2.617 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.485 -11.326 -4.624 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.103 -9.863 -5.057 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.562 -12.307 -3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.340 -10.812 -2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.632 -11.887 -6.368 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.160 -11.085 -6.965 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.031 -12.557 -5.973 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.982 -12.602 -3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.249 -11.312 -4.358 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.459 -12.830 -4.846 1.00 0.00 H new ATOM 878 N HIS A 95 -1.104 -8.137 -5.316 1.00 0.00 N ATOM 879 CA HIS A 95 -0.712 -7.020 -6.165 1.00 0.00 C ATOM 880 C HIS A 95 0.795 -6.800 -6.078 1.00 0.00 C ATOM 881 O HIS A 95 1.447 -6.483 -7.072 1.00 0.00 O ATOM 882 CB HIS A 95 -1.457 -5.745 -5.752 1.00 0.00 C ATOM 883 CG HIS A 95 -0.941 -4.503 -6.416 1.00 0.00 C ATOM 884 ND1 HIS A 95 -1.646 -3.780 -7.352 1.00 0.00 N ATOM 885 CD2 HIS A 95 0.245 -3.858 -6.263 1.00 0.00 C ATOM 886 CE1 HIS A 95 -0.886 -2.745 -7.731 1.00 0.00 C ATOM 887 NE2 HIS A 95 0.273 -2.746 -7.099 1.00 0.00 N ATOM 0 H HIS A 95 -1.778 -7.899 -4.588 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.976 -7.257 -7.196 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.515 -5.860 -5.989 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.383 -5.626 -4.671 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -2.582 -3.995 -7.696 1.00 0.00 H new ATOM 0 HD2 HIS A 95 1.040 -4.161 -5.598 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -1.183 -2.005 -8.460 1.00 0.00 H new ATOM 895 N SER A 96 1.340 -6.977 -4.878 1.00 0.00 N ATOM 896 CA SER A 96 2.769 -6.805 -4.656 1.00 0.00 C ATOM 897 C SER A 96 3.571 -7.750 -5.545 1.00 0.00 C ATOM 898 O SER A 96 4.577 -7.361 -6.131 1.00 0.00 O ATOM 899 CB SER A 96 3.113 -7.050 -3.186 1.00 0.00 C ATOM 900 OG SER A 96 4.514 -7.152 -2.999 1.00 0.00 O ATOM 0 H SER A 96 0.812 -7.239 -4.045 1.00 0.00 H new ATOM 0 HA SER A 96 3.032 -5.779 -4.914 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.720 -6.236 -2.577 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.630 -7.965 -2.844 1.00 0.00 H new ATOM 0 HG SER A 96 4.974 -6.600 -3.665 1.00 0.00 H new ATOM 906 N GLN A 97 3.123 -8.993 -5.646 1.00 0.00 N ATOM 907 CA GLN A 97 3.814 -9.976 -6.471 1.00 0.00 C ATOM 908 C GLN A 97 3.641 -9.661 -7.955 1.00 0.00 C ATOM 909 O GLN A 97 4.611 -9.643 -8.714 1.00 0.00 O ATOM 910 CB GLN A 97 3.293 -11.383 -6.171 1.00 0.00 C ATOM 911 CG GLN A 97 3.885 -11.996 -4.913 1.00 0.00 C ATOM 912 CD GLN A 97 3.346 -11.358 -3.646 1.00 0.00 C ATOM 913 OE1 GLN A 97 2.504 -11.934 -2.957 1.00 0.00 O ATOM 914 NE2 GLN A 97 3.830 -10.161 -3.336 1.00 0.00 N ATOM 0 H GLN A 97 2.291 -9.344 -5.172 1.00 0.00 H new ATOM 0 HA GLN A 97 4.876 -9.932 -6.231 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.208 -11.346 -6.071 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.513 -12.031 -7.019 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.670 -13.064 -4.898 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.970 -11.889 -4.937 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.527 -9.722 -3.937 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.505 -9.681 -2.497 1.00 0.00 H new ATOM 923 N GLU A 98 2.399 -9.417 -8.361 1.00 0.00 N ATOM 924 CA GLU A 98 2.085 -9.112 -9.755 1.00 0.00 C ATOM 925 C GLU A 98 2.985 -8.012 -10.319 1.00 0.00 C ATOM 926 O GLU A 98 3.538 -8.154 -11.409 1.00 0.00 O ATOM 927 CB GLU A 98 0.618 -8.699 -9.885 1.00 0.00 C ATOM 928 CG GLU A 98 -0.287 -9.818 -10.375 1.00 0.00 C ATOM 929 CD GLU A 98 -1.209 -9.375 -11.496 1.00 0.00 C ATOM 930 OE1 GLU A 98 -0.773 -9.394 -12.666 1.00 0.00 O ATOM 931 OE2 GLU A 98 -2.367 -9.009 -11.202 1.00 0.00 O ATOM 0 H GLU A 98 1.589 -9.424 -7.742 1.00 0.00 H new ATOM 0 HA GLU A 98 2.265 -10.017 -10.335 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.260 -8.351 -8.916 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.546 -7.857 -10.573 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.326 -10.650 -10.721 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.885 -10.187 -9.542 1.00 0.00 H new ATOM 938 N THR A 99 3.118 -6.915 -9.582 1.00 0.00 N ATOM 939 CA THR A 99 3.943 -5.795 -10.029 1.00 0.00 C ATOM 940 C THR A 99 5.264 -5.724 -9.268 1.00 0.00 C ATOM 941 O THR A 99 5.983 -4.730 -9.357 1.00 0.00 O ATOM 942 CB THR A 99 3.182 -4.480 -9.859 1.00 0.00 C ATOM 943 OG1 THR A 99 2.752 -4.320 -8.520 1.00 0.00 O ATOM 944 CG2 THR A 99 1.963 -4.373 -10.750 1.00 0.00 C ATOM 0 H THR A 99 2.669 -6.776 -8.677 1.00 0.00 H new ATOM 0 HA THR A 99 4.170 -5.956 -11.083 1.00 0.00 H new ATOM 0 HB THR A 99 3.888 -3.699 -10.143 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.608 -3.369 -8.334 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.470 -3.416 -10.579 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.268 -4.442 -11.794 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.272 -5.184 -10.520 1.00 0.00 H new ATOM 952 N LYS A 100 5.585 -6.777 -8.522 1.00 0.00 N ATOM 953 CA LYS A 100 6.825 -6.810 -7.754 1.00 0.00 C ATOM 954 C LYS A 100 6.913 -5.625 -6.790 1.00 0.00 C ATOM 955 O LYS A 100 8.000 -5.253 -6.350 1.00 0.00 O ATOM 956 CB LYS A 100 8.031 -6.805 -8.695 1.00 0.00 C ATOM 957 CG LYS A 100 8.472 -8.194 -9.128 1.00 0.00 C ATOM 958 CD LYS A 100 9.987 -8.308 -9.184 1.00 0.00 C ATOM 959 CE LYS A 100 10.444 -9.747 -9.019 1.00 0.00 C ATOM 960 NZ LYS A 100 9.821 -10.648 -10.028 1.00 0.00 N ATOM 0 H LYS A 100 5.008 -7.613 -8.433 1.00 0.00 H new ATOM 0 HA LYS A 100 6.830 -7.728 -7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.788 -6.218 -9.581 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.865 -6.306 -8.201 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.076 -8.935 -8.433 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.053 -8.420 -10.108 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.347 -7.918 -10.136 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.428 -7.693 -8.400 1.00 0.00 H new ATOM 0 HE2 LYS A 100 11.529 -9.796 -9.110 1.00 0.00 H new ATOM 0 HE3 LYS A 100 10.192 -10.095 -8.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 10.304 -11.569 -10.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.815 -10.782 -9.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.908 -10.223 -10.973 1.00 0.00 H new ATOM 974 N HIS A 101 5.761 -5.050 -6.451 1.00 0.00 N ATOM 975 CA HIS A 101 5.709 -3.925 -5.524 1.00 0.00 C ATOM 976 C HIS A 101 5.621 -4.436 -4.090 1.00 0.00 C ATOM 977 O HIS A 101 4.539 -4.762 -3.605 1.00 0.00 O ATOM 978 CB HIS A 101 4.502 -3.033 -5.829 1.00 0.00 C ATOM 979 CG HIS A 101 4.530 -2.420 -7.195 1.00 0.00 C ATOM 980 ND1 HIS A 101 3.434 -1.770 -7.712 1.00 0.00 N ATOM 981 CD2 HIS A 101 5.535 -2.381 -8.103 1.00 0.00 C ATOM 982 CE1 HIS A 101 3.794 -1.353 -8.912 1.00 0.00 C ATOM 983 NE2 HIS A 101 5.059 -1.699 -9.193 1.00 0.00 N ATOM 0 H HIS A 101 4.851 -5.346 -6.805 1.00 0.00 H new ATOM 0 HA HIS A 101 6.619 -3.337 -5.643 1.00 0.00 H new ATOM 0 HB2 HIS A 101 3.591 -3.623 -5.725 1.00 0.00 H new ATOM 0 HB3 HIS A 101 4.453 -2.237 -5.085 1.00 0.00 H new ATOM 0 HD1 HIS A 101 2.529 -1.637 -7.261 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.522 -2.806 -7.990 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.151 -0.803 -9.583 1.00 0.00 H new ATOM 991 N TYR A 102 6.766 -4.513 -3.419 1.00 0.00 N ATOM 992 CA TYR A 102 6.815 -5.000 -2.044 1.00 0.00 C ATOM 993 C TYR A 102 6.665 -3.863 -1.038 1.00 0.00 C ATOM 994 O TYR A 102 7.193 -3.935 0.072 1.00 0.00 O ATOM 995 CB TYR A 102 8.134 -5.730 -1.792 1.00 0.00 C ATOM 996 CG TYR A 102 8.525 -6.682 -2.898 1.00 0.00 C ATOM 997 CD1 TYR A 102 7.766 -7.813 -3.163 1.00 0.00 C ATOM 998 CD2 TYR A 102 9.651 -6.447 -3.676 1.00 0.00 C ATOM 999 CE1 TYR A 102 8.119 -8.687 -4.174 1.00 0.00 C ATOM 1000 CE2 TYR A 102 10.011 -7.315 -4.687 1.00 0.00 C ATOM 1001 CZ TYR A 102 9.242 -8.434 -4.934 1.00 0.00 C ATOM 1002 OH TYR A 102 9.596 -9.301 -5.941 1.00 0.00 O ATOM 0 H TYR A 102 7.672 -4.245 -3.804 1.00 0.00 H new ATOM 0 HA TYR A 102 5.980 -5.687 -1.909 1.00 0.00 H new ATOM 0 HB2 TYR A 102 8.927 -4.994 -1.662 1.00 0.00 H new ATOM 0 HB3 TYR A 102 8.058 -6.285 -0.857 1.00 0.00 H new ATOM 0 HD1 TYR A 102 6.886 -8.013 -2.570 1.00 0.00 H new ATOM 0 HD2 TYR A 102 10.254 -5.571 -3.487 1.00 0.00 H new ATOM 0 HE1 TYR A 102 7.519 -9.564 -4.368 1.00 0.00 H new ATOM 0 HE2 TYR A 102 10.891 -7.119 -5.282 1.00 0.00 H new ATOM 0 HH TYR A 102 8.791 -9.724 -6.306 1.00 0.00 H new ATOM 1012 N LEU A 103 5.946 -2.815 -1.424 1.00 0.00 N ATOM 1013 CA LEU A 103 5.740 -1.673 -0.543 1.00 0.00 C ATOM 1014 C LEU A 103 4.271 -1.271 -0.504 1.00 0.00 C ATOM 1015 O LEU A 103 3.698 -0.872 -1.519 1.00 0.00 O ATOM 1016 CB LEU A 103 6.591 -0.489 -1.000 1.00 0.00 C ATOM 1017 CG LEU A 103 8.096 -0.650 -0.780 1.00 0.00 C ATOM 1018 CD1 LEU A 103 8.390 -0.980 0.676 1.00 0.00 C ATOM 1019 CD2 LEU A 103 8.659 -1.726 -1.698 1.00 0.00 C ATOM 0 H LEU A 103 5.498 -2.733 -2.337 1.00 0.00 H new ATOM 0 HA LEU A 103 6.044 -1.965 0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.411 -0.320 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.256 0.404 -0.473 1.00 0.00 H new ATOM 0 HG LEU A 103 8.582 0.295 -1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.466 -1.091 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.024 -0.175 1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.892 -1.911 0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.731 -1.826 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.168 -2.676 -1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.482 -1.447 -2.737 1.00 0.00 H new ATOM 1031 N THR A 104 3.669 -1.373 0.675 1.00 0.00 N ATOM 1032 CA THR A 104 2.266 -1.015 0.847 1.00 0.00 C ATOM 1033 C THR A 104 2.076 -0.161 2.095 1.00 0.00 C ATOM 1034 O THR A 104 2.683 -0.419 3.132 1.00 0.00 O ATOM 1035 CB THR A 104 1.402 -2.276 0.935 1.00 0.00 C ATOM 1036 OG1 THR A 104 0.024 -1.943 0.930 1.00 0.00 O ATOM 1037 CG2 THR A 104 1.670 -3.104 2.173 1.00 0.00 C ATOM 0 H THR A 104 4.129 -1.700 1.525 1.00 0.00 H new ATOM 0 HA THR A 104 1.954 -0.433 -0.020 1.00 0.00 H new ATOM 0 HB THR A 104 1.669 -2.868 0.059 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.393 -2.289 0.113 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.024 -3.982 2.171 1.00 0.00 H new ATOM 0 HG22 THR A 104 2.713 -3.421 2.180 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.467 -2.506 3.062 1.00 0.00 H new ATOM 1045 N VAL A 105 1.231 0.859 1.990 1.00 0.00 N ATOM 1046 CA VAL A 105 0.970 1.748 3.115 1.00 0.00 C ATOM 1047 C VAL A 105 -0.505 1.735 3.500 1.00 0.00 C ATOM 1048 O VAL A 105 -1.373 2.064 2.691 1.00 0.00 O ATOM 1049 CB VAL A 105 1.396 3.197 2.796 1.00 0.00 C ATOM 1050 CG1 VAL A 105 0.590 3.750 1.630 1.00 0.00 C ATOM 1051 CG2 VAL A 105 1.249 4.082 4.024 1.00 0.00 C ATOM 0 H VAL A 105 0.717 1.090 1.140 1.00 0.00 H new ATOM 0 HA VAL A 105 1.561 1.379 3.953 1.00 0.00 H new ATOM 0 HB VAL A 105 2.447 3.189 2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.906 4.772 1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.756 3.132 0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.470 3.743 1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.554 5.099 3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.208 4.084 4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.879 3.698 4.827 1.00 0.00 H new ATOM 1061 N ASN A 106 -0.779 1.356 4.745 1.00 0.00 N ATOM 1062 CA ASN A 106 -2.148 1.303 5.245 1.00 0.00 C ATOM 1063 C ASN A 106 -2.622 2.692 5.658 1.00 0.00 C ATOM 1064 O ASN A 106 -2.034 3.321 6.536 1.00 0.00 O ATOM 1065 CB ASN A 106 -2.243 0.342 6.431 1.00 0.00 C ATOM 1066 CG ASN A 106 -1.212 0.641 7.502 1.00 0.00 C ATOM 1067 OD1 ASN A 106 -1.385 1.554 8.309 1.00 0.00 O ATOM 1068 ND2 ASN A 106 -0.129 -0.128 7.512 1.00 0.00 N ATOM 0 H ASN A 106 -0.071 1.081 5.426 1.00 0.00 H new ATOM 0 HA ASN A 106 -2.792 0.940 4.444 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.241 0.402 6.865 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.110 -0.681 6.078 1.00 0.00 H new ATOM 0 HD21 ASN A 106 0.600 0.027 8.208 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -0.027 -0.874 6.824 1.00 0.00 H new ATOM 1075 N LEU A 107 -3.683 3.166 5.016 1.00 0.00 N ATOM 1076 CA LEU A 107 -4.232 4.484 5.318 1.00 0.00 C ATOM 1077 C LEU A 107 -4.944 4.499 6.669 1.00 0.00 C ATOM 1078 O LEU A 107 -5.281 5.564 7.188 1.00 0.00 O ATOM 1079 CB LEU A 107 -5.197 4.916 4.214 1.00 0.00 C ATOM 1080 CG LEU A 107 -4.713 4.635 2.789 1.00 0.00 C ATOM 1081 CD1 LEU A 107 -5.679 3.708 2.066 1.00 0.00 C ATOM 1082 CD2 LEU A 107 -4.538 5.933 2.016 1.00 0.00 C ATOM 0 H LEU A 107 -4.180 2.659 4.284 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.401 5.188 5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.150 4.409 4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.386 5.985 4.314 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.744 4.139 2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.316 3.521 1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.750 2.764 2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.663 4.174 2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.194 5.711 1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.492 6.459 1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.803 6.561 2.520 1.00 0.00 H new ATOM 1094 N THR A 108 -5.176 3.318 7.234 1.00 0.00 N ATOM 1095 CA THR A 108 -5.852 3.207 8.521 1.00 0.00 C ATOM 1096 C THR A 108 -4.982 3.753 9.649 1.00 0.00 C ATOM 1097 O THR A 108 -5.456 4.496 10.507 1.00 0.00 O ATOM 1098 CB THR A 108 -6.221 1.750 8.799 1.00 0.00 C ATOM 1099 OG1 THR A 108 -6.482 1.061 7.590 1.00 0.00 O ATOM 1100 CG2 THR A 108 -7.439 1.600 9.685 1.00 0.00 C ATOM 0 H THR A 108 -4.906 2.425 6.821 1.00 0.00 H new ATOM 0 HA THR A 108 -6.763 3.804 8.477 1.00 0.00 H new ATOM 0 HB THR A 108 -5.361 1.327 9.317 1.00 0.00 H new ATOM 0 HG1 THR A 108 -6.715 0.130 7.788 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.646 0.542 9.843 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.252 2.080 10.645 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.298 2.070 9.206 1.00 0.00 H new ATOM 1108 N THR A 109 -3.709 3.378 9.640 1.00 0.00 N ATOM 1109 CA THR A 109 -2.770 3.829 10.664 1.00 0.00 C ATOM 1110 C THR A 109 -1.618 4.630 10.056 1.00 0.00 C ATOM 1111 O THR A 109 -0.728 5.090 10.772 1.00 0.00 O ATOM 1112 CB THR A 109 -2.219 2.631 11.440 1.00 0.00 C ATOM 1113 OG1 THR A 109 -2.239 1.462 10.640 1.00 0.00 O ATOM 1114 CG2 THR A 109 -2.991 2.333 12.706 1.00 0.00 C ATOM 0 H THR A 109 -3.301 2.763 8.936 1.00 0.00 H new ATOM 0 HA THR A 109 -3.313 4.484 11.346 1.00 0.00 H new ATOM 0 HB THR A 109 -1.200 2.907 11.711 1.00 0.00 H new ATOM 0 HG1 THR A 109 -1.786 1.640 9.789 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.548 1.473 13.208 1.00 0.00 H new ATOM 0 HG22 THR A 109 -2.953 3.198 13.368 1.00 0.00 H new ATOM 0 HG23 THR A 109 -4.029 2.113 12.456 1.00 0.00 H new ATOM 1122 N LEU A 110 -1.635 4.793 8.735 1.00 0.00 N ATOM 1123 CA LEU A 110 -0.589 5.538 8.042 1.00 0.00 C ATOM 1124 C LEU A 110 0.772 4.869 8.220 1.00 0.00 C ATOM 1125 O LEU A 110 1.783 5.541 8.424 1.00 0.00 O ATOM 1126 CB LEU A 110 -0.534 6.979 8.553 1.00 0.00 C ATOM 1127 CG LEU A 110 -1.815 7.789 8.347 1.00 0.00 C ATOM 1128 CD1 LEU A 110 -1.739 9.109 9.098 1.00 0.00 C ATOM 1129 CD2 LEU A 110 -2.060 8.031 6.865 1.00 0.00 C ATOM 0 H LEU A 110 -2.361 4.419 8.124 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.831 5.546 6.979 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.300 6.962 9.618 1.00 0.00 H new ATOM 0 HB3 LEU A 110 0.287 7.494 8.055 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.652 7.216 8.745 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.659 9.671 8.939 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.611 8.915 10.163 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.892 9.688 8.731 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -2.975 8.609 6.737 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.220 8.583 6.443 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -2.160 7.075 6.352 1.00 0.00 H new ATOM 1141 N ARG A 111 0.790 3.542 8.143 1.00 0.00 N ATOM 1142 CA ARG A 111 2.028 2.784 8.296 1.00 0.00 C ATOM 1143 C ARG A 111 2.403 2.080 6.994 1.00 0.00 C ATOM 1144 O ARG A 111 1.535 1.681 6.219 1.00 0.00 O ATOM 1145 CB ARG A 111 1.886 1.759 9.423 1.00 0.00 C ATOM 1146 CG ARG A 111 2.504 2.210 10.737 1.00 0.00 C ATOM 1147 CD ARG A 111 1.624 3.226 11.445 1.00 0.00 C ATOM 1148 NE ARG A 111 2.399 4.110 12.314 1.00 0.00 N ATOM 1149 CZ ARG A 111 1.869 4.837 13.295 1.00 0.00 C ATOM 1150 NH1 ARG A 111 0.564 4.788 13.537 1.00 0.00 N ATOM 1151 NH2 ARG A 111 2.645 5.615 14.038 1.00 0.00 N ATOM 0 H ARG A 111 -0.037 2.969 7.976 1.00 0.00 H new ATOM 0 HA ARG A 111 2.824 3.484 8.549 1.00 0.00 H new ATOM 0 HB2 ARG A 111 0.828 1.550 9.582 1.00 0.00 H new ATOM 0 HB3 ARG A 111 2.353 0.824 9.113 1.00 0.00 H new ATOM 0 HG2 ARG A 111 2.657 1.346 11.384 1.00 0.00 H new ATOM 0 HG3 ARG A 111 3.485 2.645 10.549 1.00 0.00 H new ATOM 0 HD2 ARG A 111 1.090 3.822 10.705 1.00 0.00 H new ATOM 0 HD3 ARG A 111 0.872 2.704 12.037 1.00 0.00 H new ATOM 0 HE ARG A 111 3.405 4.173 12.159 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -0.038 4.191 12.970 1.00 0.00 H new ATOM 0 HH12 ARG A 111 0.164 5.347 14.290 1.00 0.00 H new ATOM 0 HH21 ARG A 111 3.648 5.656 13.858 1.00 0.00 H new ATOM 0 HH22 ARG A 111 2.239 6.172 14.790 1.00 0.00 H new ATOM 1165 N VAL A 112 3.704 1.928 6.763 1.00 0.00 N ATOM 1166 CA VAL A 112 4.198 1.270 5.558 1.00 0.00 C ATOM 1167 C VAL A 112 4.706 -0.134 5.870 1.00 0.00 C ATOM 1168 O VAL A 112 5.177 -0.402 6.976 1.00 0.00 O ATOM 1169 CB VAL A 112 5.330 2.078 4.897 1.00 0.00 C ATOM 1170 CG1 VAL A 112 5.679 1.495 3.537 1.00 0.00 C ATOM 1171 CG2 VAL A 112 4.939 3.544 4.773 1.00 0.00 C ATOM 0 H VAL A 112 4.436 2.252 7.395 1.00 0.00 H new ATOM 0 HA VAL A 112 3.358 1.206 4.866 1.00 0.00 H new ATOM 0 HB VAL A 112 6.214 2.014 5.531 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.481 2.079 3.086 1.00 0.00 H new ATOM 0 HG12 VAL A 112 6.006 0.462 3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 112 4.801 1.525 2.892 1.00 0.00 H new ATOM 0 HG21 VAL A 112 5.751 4.099 4.304 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.040 3.630 4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 112 4.745 3.954 5.764 1.00 0.00 H new ATOM 1181 N TRP A 113 4.603 -1.029 4.893 1.00 0.00 N ATOM 1182 CA TRP A 113 5.047 -2.406 5.069 1.00 0.00 C ATOM 1183 C TRP A 113 5.926 -2.858 3.906 1.00 0.00 C ATOM 1184 O TRP A 113 5.655 -2.541 2.745 1.00 0.00 O ATOM 1185 CB TRP A 113 3.841 -3.339 5.201 1.00 0.00 C ATOM 1186 CG TRP A 113 4.220 -4.772 5.422 1.00 0.00 C ATOM 1187 CD1 TRP A 113 4.257 -5.764 4.485 1.00 0.00 C ATOM 1188 CD2 TRP A 113 4.614 -5.372 6.661 1.00 0.00 C ATOM 1189 NE1 TRP A 113 4.653 -6.946 5.066 1.00 0.00 N ATOM 1190 CE2 TRP A 113 4.878 -6.731 6.400 1.00 0.00 C ATOM 1191 CE3 TRP A 113 4.772 -4.893 7.964 1.00 0.00 C ATOM 1192 CZ2 TRP A 113 5.289 -7.614 7.395 1.00 0.00 C ATOM 1193 CZ3 TRP A 113 5.181 -5.772 8.952 1.00 0.00 C ATOM 1194 CH2 TRP A 113 5.436 -7.117 8.662 1.00 0.00 C ATOM 0 H TRP A 113 4.216 -0.825 3.972 1.00 0.00 H new ATOM 0 HA TRP A 113 5.640 -2.451 5.983 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.220 -3.003 6.031 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.234 -3.266 4.299 1.00 0.00 H new ATOM 0 HD1 TRP A 113 4.011 -5.639 3.441 1.00 0.00 H new ATOM 0 HE1 TRP A 113 4.761 -7.837 4.582 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.579 -3.856 8.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.485 -8.653 7.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.305 -5.414 9.963 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.756 -7.777 9.455 1.00 0.00 H new ATOM 1205 N CYS A 114 6.978 -3.607 4.232 1.00 0.00 N ATOM 1206 CA CYS A 114 7.907 -4.120 3.230 1.00 0.00 C ATOM 1207 C CYS A 114 7.848 -5.645 3.175 1.00 0.00 C ATOM 1208 O CYS A 114 8.266 -6.325 4.114 1.00 0.00 O ATOM 1209 CB CYS A 114 9.331 -3.667 3.552 1.00 0.00 C ATOM 1210 SG CYS A 114 10.499 -3.898 2.192 1.00 0.00 S ATOM 0 H CYS A 114 7.208 -3.873 5.189 1.00 0.00 H new ATOM 0 HA CYS A 114 7.617 -3.724 2.257 1.00 0.00 H new ATOM 0 HB2 CYS A 114 9.313 -2.612 3.827 1.00 0.00 H new ATOM 0 HB3 CYS A 114 9.689 -4.217 4.422 1.00 0.00 H new ATOM 0 HG CYS A 114 11.413 -2.975 2.243 1.00 0.00 H new ATOM 1215 N TYR A 115 7.319 -6.175 2.075 1.00 0.00 N ATOM 1216 CA TYR A 115 7.197 -7.621 1.902 1.00 0.00 C ATOM 1217 C TYR A 115 8.562 -8.282 1.726 1.00 0.00 C ATOM 1218 O TYR A 115 8.821 -9.348 2.286 1.00 0.00 O ATOM 1219 CB TYR A 115 6.307 -7.943 0.699 1.00 0.00 C ATOM 1220 CG TYR A 115 4.832 -7.727 0.957 1.00 0.00 C ATOM 1221 CD1 TYR A 115 4.110 -6.788 0.231 1.00 0.00 C ATOM 1222 CD2 TYR A 115 4.164 -8.463 1.927 1.00 0.00 C ATOM 1223 CE1 TYR A 115 2.763 -6.589 0.465 1.00 0.00 C ATOM 1224 CE2 TYR A 115 2.816 -8.269 2.166 1.00 0.00 C ATOM 1225 CZ TYR A 115 2.120 -7.332 1.432 1.00 0.00 C ATOM 1226 OH TYR A 115 0.779 -7.136 1.668 1.00 0.00 O ATOM 0 H TYR A 115 6.968 -5.626 1.290 1.00 0.00 H new ATOM 0 HA TYR A 115 6.739 -8.021 2.807 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.614 -7.324 -0.144 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.467 -8.981 0.407 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.610 -6.204 -0.528 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.706 -9.198 2.504 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.216 -5.854 -0.107 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.311 -8.849 2.924 1.00 0.00 H new ATOM 0 HH TYR A 115 0.285 -7.953 1.448 1.00 0.00 H new ATOM 1236 N ALA A 116 9.429 -7.651 0.941 1.00 0.00 N ATOM 1237 CA ALA A 116 10.762 -8.189 0.691 1.00 0.00 C ATOM 1238 C ALA A 116 11.542 -8.333 1.990 1.00 0.00 C ATOM 1239 O ALA A 116 12.064 -9.404 2.299 1.00 0.00 O ATOM 1240 CB ALA A 116 11.516 -7.298 -0.284 1.00 0.00 C ATOM 0 H ALA A 116 9.234 -6.769 0.468 1.00 0.00 H new ATOM 0 HA ALA A 116 10.653 -9.179 0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.509 -7.711 -0.461 1.00 0.00 H new ATOM 0 HB2 ALA A 116 10.971 -7.247 -1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.610 -6.297 0.136 1.00 0.00 H new ATOM 1246 N CYS A 117 11.608 -7.249 2.752 1.00 0.00 N ATOM 1247 CA CYS A 117 12.314 -7.252 4.026 1.00 0.00 C ATOM 1248 C CYS A 117 11.568 -8.109 5.043 1.00 0.00 C ATOM 1249 O CYS A 117 12.173 -8.700 5.937 1.00 0.00 O ATOM 1250 CB CYS A 117 12.468 -5.825 4.555 1.00 0.00 C ATOM 1251 SG CYS A 117 13.920 -4.956 3.917 1.00 0.00 S ATOM 0 H CYS A 117 11.180 -6.355 2.509 1.00 0.00 H new ATOM 0 HA CYS A 117 13.306 -7.676 3.869 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.575 -5.255 4.299 1.00 0.00 H new ATOM 0 HB3 CYS A 117 12.525 -5.856 5.643 1.00 0.00 H new ATOM 0 HG CYS A 117 13.548 -3.844 3.355 1.00 0.00 H new ATOM 1256 N SER A 118 10.245 -8.167 4.897 1.00 0.00 N ATOM 1257 CA SER A 118 9.398 -8.946 5.796 1.00 0.00 C ATOM 1258 C SER A 118 9.221 -8.227 7.128 1.00 0.00 C ATOM 1259 O SER A 118 9.443 -8.803 8.193 1.00 0.00 O ATOM 1260 CB SER A 118 9.989 -10.341 6.024 1.00 0.00 C ATOM 1261 OG SER A 118 10.615 -10.829 4.850 1.00 0.00 O ATOM 0 H SER A 118 9.735 -7.680 4.160 1.00 0.00 H new ATOM 0 HA SER A 118 8.420 -9.055 5.327 1.00 0.00 H new ATOM 0 HB2 SER A 118 10.714 -10.304 6.837 1.00 0.00 H new ATOM 0 HB3 SER A 118 9.200 -11.028 6.331 1.00 0.00 H new ATOM 0 HG SER A 118 10.985 -11.720 5.023 1.00 0.00 H new ATOM 1267 N LYS A 119 8.817 -6.963 7.061 1.00 0.00 N ATOM 1268 CA LYS A 119 8.610 -6.164 8.263 1.00 0.00 C ATOM 1269 C LYS A 119 8.069 -4.781 7.917 1.00 0.00 C ATOM 1270 O LYS A 119 7.892 -4.446 6.745 1.00 0.00 O ATOM 1271 CB LYS A 119 9.918 -6.031 9.046 1.00 0.00 C ATOM 1272 CG LYS A 119 11.109 -5.643 8.183 1.00 0.00 C ATOM 1273 CD LYS A 119 11.419 -4.158 8.296 1.00 0.00 C ATOM 1274 CE LYS A 119 12.914 -3.908 8.406 1.00 0.00 C ATOM 1275 NZ LYS A 119 13.217 -2.697 9.219 1.00 0.00 N ATOM 0 H LYS A 119 8.627 -6.470 6.188 1.00 0.00 H new ATOM 0 HA LYS A 119 7.873 -6.676 8.882 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.789 -5.283 9.829 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.133 -6.978 9.542 1.00 0.00 H new ATOM 0 HG2 LYS A 119 11.982 -6.222 8.484 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.903 -5.895 7.143 1.00 0.00 H new ATOM 0 HD2 LYS A 119 11.025 -3.636 7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.915 -3.745 9.170 1.00 0.00 H new ATOM 0 HE2 LYS A 119 13.395 -4.777 8.856 1.00 0.00 H new ATOM 0 HE3 LYS A 119 13.337 -3.790 7.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 14.247 -2.562 9.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 12.780 -1.864 8.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 12.836 -2.819 10.179 1.00 0.00 H new ATOM 1289 N GLU A 120 7.809 -3.981 8.945 1.00 0.00 N ATOM 1290 CA GLU A 120 7.289 -2.632 8.754 1.00 0.00 C ATOM 1291 C GLU A 120 8.422 -1.641 8.513 1.00 0.00 C ATOM 1292 O GLU A 120 9.532 -1.819 9.013 1.00 0.00 O ATOM 1293 CB GLU A 120 6.470 -2.202 9.973 1.00 0.00 C ATOM 1294 CG GLU A 120 5.458 -1.109 9.671 1.00 0.00 C ATOM 1295 CD GLU A 120 4.900 -0.469 10.927 1.00 0.00 C ATOM 1296 OE1 GLU A 120 3.696 -0.658 11.205 1.00 0.00 O ATOM 1297 OE2 GLU A 120 5.665 0.222 11.632 1.00 0.00 O ATOM 0 H GLU A 120 7.950 -4.244 9.920 1.00 0.00 H new ATOM 0 HA GLU A 120 6.644 -2.639 7.875 1.00 0.00 H new ATOM 0 HB2 GLU A 120 5.946 -3.070 10.373 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.148 -1.853 10.751 1.00 0.00 H new ATOM 0 HG2 GLU A 120 5.929 -0.343 9.055 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.639 -1.528 9.087 1.00 0.00 H new ATOM 1304 N VAL A 121 8.134 -0.597 7.742 1.00 0.00 N ATOM 1305 CA VAL A 121 9.129 0.423 7.435 1.00 0.00 C ATOM 1306 C VAL A 121 8.519 1.819 7.483 1.00 0.00 C ATOM 1307 O VAL A 121 7.298 1.975 7.474 1.00 0.00 O ATOM 1308 CB VAL A 121 9.756 0.195 6.046 1.00 0.00 C ATOM 1309 CG1 VAL A 121 10.674 -1.017 6.064 1.00 0.00 C ATOM 1310 CG2 VAL A 121 8.671 0.037 4.991 1.00 0.00 C ATOM 0 H VAL A 121 7.220 -0.436 7.319 1.00 0.00 H new ATOM 0 HA VAL A 121 9.907 0.345 8.194 1.00 0.00 H new ATOM 0 HB VAL A 121 10.355 1.069 5.791 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.106 -1.161 5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 121 11.472 -0.858 6.789 1.00 0.00 H new ATOM 0 HG13 VAL A 121 10.102 -1.902 6.342 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.132 -0.123 4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.043 -0.818 5.240 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.060 0.939 4.960 1.00 0.00 H new ATOM 1320 N PHE A 122 9.376 2.833 7.532 1.00 0.00 N ATOM 1321 CA PHE A 122 8.922 4.218 7.581 1.00 0.00 C ATOM 1322 C PHE A 122 9.516 5.025 6.432 1.00 0.00 C ATOM 1323 O PHE A 122 10.629 4.755 5.981 1.00 0.00 O ATOM 1324 CB PHE A 122 9.304 4.856 8.918 1.00 0.00 C ATOM 1325 CG PHE A 122 10.745 4.653 9.290 1.00 0.00 C ATOM 1326 CD1 PHE A 122 11.163 3.468 9.873 1.00 0.00 C ATOM 1327 CD2 PHE A 122 11.682 5.647 9.056 1.00 0.00 C ATOM 1328 CE1 PHE A 122 12.487 3.278 10.217 1.00 0.00 C ATOM 1329 CE2 PHE A 122 13.008 5.463 9.397 1.00 0.00 C ATOM 1330 CZ PHE A 122 13.411 4.277 9.978 1.00 0.00 C ATOM 0 H PHE A 122 10.390 2.722 7.539 1.00 0.00 H new ATOM 0 HA PHE A 122 7.837 4.222 7.482 1.00 0.00 H new ATOM 0 HB2 PHE A 122 9.096 5.925 8.874 1.00 0.00 H new ATOM 0 HB3 PHE A 122 8.672 4.440 9.703 1.00 0.00 H new ATOM 0 HD1 PHE A 122 10.445 2.683 10.061 1.00 0.00 H new ATOM 0 HD2 PHE A 122 11.372 6.576 8.602 1.00 0.00 H new ATOM 0 HE1 PHE A 122 12.800 2.350 10.672 1.00 0.00 H new ATOM 0 HE2 PHE A 122 13.728 6.246 9.209 1.00 0.00 H new ATOM 0 HZ PHE A 122 14.447 4.130 10.245 1.00 0.00 H new