USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=29 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 82:sc= 1.29 USER MOD Set 1.2: A 41 HIS : no HD1:sc= -4.81! C(o=-2.9!,f=-10!) USER MOD Set 1.3: A 114 CYS SG : rot 149:sc= 0.532 USER MOD Set 1.4: A 117 CYS SG : rot 122:sc= 0.0671 USER MOD Set 2.1: A 106 ASN : amide:sc= -0.844 K(o=-0.84,f=-8.7!) USER MOD Set 2.2: A 109 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 74 CYS SG : rot 90:sc= -1.16 USER MOD Set 3.2: A 79 CYS SG : rot -151:sc= -0.0758 USER MOD Set 3.3: A 95 HIS : no HE2:sc= -1.31! K(o=-6.5!,f=-7.5) USER MOD Set 3.4: A 99 THR OG1 : rot 157:sc= 0.571 USER MOD Set 3.5: A 101 HIS : no HE2:sc= -4.47 K(o=-6.5,f=-12!) USER MOD Set 4.1: A 96 SER OG : rot 175:sc= -0.0884 USER MOD Set 4.2: A 97 GLN : amide:sc= -1.35 X(o=-1.4,f=-1.3) USER MOD Set 5.1: A 93 THR OG1 : rot 177:sc= 1.85 USER MOD Set 5.2: A 115 TYR OH : rot -52:sc= 1.27 USER MOD Set 6.1: A 92 SER OG : rot 81:sc= -1.05 USER MOD Set 6.2: A 104 THR OG1 : rot 142:sc= -1.37 USER MOD Set 7.1: A 61 CYS SG : rot 152:sc= -0.397 USER MOD Set 7.2: A 64 CYS SG : rot -28:sc= -0.167 USER MOD Set 7.3: A 84 CYS SG : rot -127:sc= -1.94 USER MOD Set 7.4: A 88 GLN : amide:sc= -0.0746 X(o=-4.8,f=-4.5) USER MOD Set 7.5: A 91 HIS : no HD1:sc= -2.18 X(o=-4.8,f=-4.5!) USER MOD Set 8.1: A 56 LYS NZ :NH3+ -169:sc= 0.435 (180deg=-0.183) USER MOD Set 8.2: A 80 SER OG : rot -142:sc= 0.422 USER MOD Single : A 44 SER OG : rot -80:sc= 1.19 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0275 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.53) USER MOD Single : A 57 SER OG : rot -36:sc= 1.24 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -2.47! C(o=-2.5!,f=-10!) USER MOD Single : A 65 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000888) USER MOD Single : A 77 ASN : amide:sc= -0.684 X(o=-0.68,f=-1.1!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 30:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0338 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N CYS A 39 16.343 0.450 3.741 1.00 0.00 N ATOM 60 CA CYS A 39 15.936 -0.653 2.879 1.00 0.00 C ATOM 61 C CYS A 39 15.862 -0.196 1.417 1.00 0.00 C ATOM 62 O CYS A 39 15.360 0.891 1.120 1.00 0.00 O ATOM 63 CB CYS A 39 14.588 -1.220 3.355 1.00 0.00 C ATOM 64 SG CYS A 39 13.483 -1.779 2.036 1.00 0.00 S ATOM 0 HA CYS A 39 16.682 -1.445 2.940 1.00 0.00 H new ATOM 0 HB2 CYS A 39 14.780 -2.057 4.026 1.00 0.00 H new ATOM 0 HB3 CYS A 39 14.075 -0.455 3.938 1.00 0.00 H new ATOM 0 HG CYS A 39 13.817 -2.981 1.670 1.00 0.00 H new ATOM 69 N PRO A 40 16.367 -1.024 0.484 1.00 0.00 N ATOM 70 CA PRO A 40 16.367 -0.701 -0.950 1.00 0.00 C ATOM 71 C PRO A 40 14.969 -0.697 -1.563 1.00 0.00 C ATOM 72 O PRO A 40 14.615 0.213 -2.314 1.00 0.00 O ATOM 73 CB PRO A 40 17.210 -1.821 -1.565 1.00 0.00 C ATOM 74 CG PRO A 40 17.083 -2.957 -0.612 1.00 0.00 C ATOM 75 CD PRO A 40 16.985 -2.336 0.752 1.00 0.00 C ATOM 0 HA PRO A 40 16.753 0.302 -1.132 1.00 0.00 H new ATOM 0 HB2 PRO A 40 16.845 -2.093 -2.556 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.250 -1.516 -1.681 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.200 -3.557 -0.833 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.944 -3.622 -0.678 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.375 -2.938 1.425 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.965 -2.231 1.218 1.00 0.00 H new ATOM 83 N HIS A 41 14.179 -1.721 -1.248 1.00 0.00 N ATOM 84 CA HIS A 41 12.824 -1.840 -1.778 1.00 0.00 C ATOM 85 C HIS A 41 12.063 -0.518 -1.667 1.00 0.00 C ATOM 86 O HIS A 41 11.556 0.002 -2.660 1.00 0.00 O ATOM 87 CB HIS A 41 12.070 -2.951 -1.043 1.00 0.00 C ATOM 88 CG HIS A 41 12.879 -4.198 -0.848 1.00 0.00 C ATOM 89 ND1 HIS A 41 13.366 -4.554 0.387 1.00 0.00 N ATOM 90 CD2 HIS A 41 13.264 -5.125 -1.758 1.00 0.00 C ATOM 91 CE1 HIS A 41 14.032 -5.679 0.204 1.00 0.00 C ATOM 92 NE2 HIS A 41 13.999 -6.065 -1.081 1.00 0.00 N ATOM 0 H HIS A 41 14.455 -2.482 -0.627 1.00 0.00 H new ATOM 0 HA HIS A 41 12.896 -2.094 -2.836 1.00 0.00 H new ATOM 0 HB2 HIS A 41 11.751 -2.579 -0.069 1.00 0.00 H new ATOM 0 HB3 HIS A 41 11.167 -3.197 -1.602 1.00 0.00 H new ATOM 0 HD2 HIS A 41 13.036 -5.124 -2.814 1.00 0.00 H new ATOM 0 HE1 HIS A 41 14.539 -6.220 0.989 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.436 -6.897 -1.478 1.00 0.00 H new ATOM 100 N LEU A 42 11.992 0.023 -0.454 1.00 0.00 N ATOM 101 CA LEU A 42 11.302 1.285 -0.215 1.00 0.00 C ATOM 102 C LEU A 42 12.120 2.459 -0.742 1.00 0.00 C ATOM 103 O LEU A 42 11.568 3.435 -1.252 1.00 0.00 O ATOM 104 CB LEU A 42 11.027 1.466 1.280 1.00 0.00 C ATOM 105 CG LEU A 42 12.272 1.599 2.159 1.00 0.00 C ATOM 106 CD1 LEU A 42 12.647 3.064 2.331 1.00 0.00 C ATOM 107 CD2 LEU A 42 12.038 0.945 3.513 1.00 0.00 C ATOM 0 H LEU A 42 12.405 -0.395 0.380 1.00 0.00 H new ATOM 0 HA LEU A 42 10.352 1.259 -0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.410 2.354 1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.443 0.616 1.631 1.00 0.00 H new ATOM 0 HG LEU A 42 13.100 1.087 1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 42 13.535 3.141 2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 42 12.853 3.504 1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.822 3.598 2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.933 1.048 4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.199 1.430 4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.814 -0.113 3.372 1.00 0.00 H new ATOM 119 N ASP A 43 13.439 2.361 -0.615 1.00 0.00 N ATOM 120 CA ASP A 43 14.332 3.417 -1.079 1.00 0.00 C ATOM 121 C ASP A 43 14.173 3.657 -2.580 1.00 0.00 C ATOM 122 O ASP A 43 14.519 4.724 -3.086 1.00 0.00 O ATOM 123 CB ASP A 43 15.786 3.060 -0.762 1.00 0.00 C ATOM 124 CG ASP A 43 16.231 3.593 0.585 1.00 0.00 C ATOM 125 OD1 ASP A 43 15.465 3.455 1.561 1.00 0.00 O ATOM 126 OD2 ASP A 43 17.348 4.148 0.664 1.00 0.00 O ATOM 0 H ASP A 43 13.913 1.562 -0.195 1.00 0.00 H new ATOM 0 HA ASP A 43 14.064 4.334 -0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 43 15.903 1.976 -0.778 1.00 0.00 H new ATOM 0 HB3 ASP A 43 16.434 3.462 -1.541 1.00 0.00 H new ATOM 131 N SER A 44 13.656 2.657 -3.290 1.00 0.00 N ATOM 132 CA SER A 44 13.463 2.763 -4.733 1.00 0.00 C ATOM 133 C SER A 44 12.164 3.491 -5.065 1.00 0.00 C ATOM 134 O SER A 44 12.127 4.334 -5.962 1.00 0.00 O ATOM 135 CB SER A 44 13.455 1.371 -5.367 1.00 0.00 C ATOM 136 OG SER A 44 12.265 0.672 -5.048 1.00 0.00 O ATOM 0 H SER A 44 13.364 1.765 -2.890 1.00 0.00 H new ATOM 0 HA SER A 44 14.292 3.341 -5.141 1.00 0.00 H new ATOM 0 HB2 SER A 44 13.549 1.460 -6.449 1.00 0.00 H new ATOM 0 HB3 SER A 44 14.318 0.804 -5.018 1.00 0.00 H new ATOM 0 HG SER A 44 12.338 0.297 -4.146 1.00 0.00 H new ATOM 142 N VAL A 45 11.100 3.155 -4.345 1.00 0.00 N ATOM 143 CA VAL A 45 9.799 3.774 -4.571 1.00 0.00 C ATOM 144 C VAL A 45 9.779 5.218 -4.084 1.00 0.00 C ATOM 145 O VAL A 45 10.714 5.677 -3.428 1.00 0.00 O ATOM 146 CB VAL A 45 8.676 2.993 -3.865 1.00 0.00 C ATOM 147 CG1 VAL A 45 8.540 1.598 -4.455 1.00 0.00 C ATOM 148 CG2 VAL A 45 8.932 2.922 -2.369 1.00 0.00 C ATOM 0 H VAL A 45 11.112 2.458 -3.600 1.00 0.00 H new ATOM 0 HA VAL A 45 9.627 3.756 -5.647 1.00 0.00 H new ATOM 0 HB VAL A 45 7.737 3.523 -4.025 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.741 1.062 -3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.303 1.673 -5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.478 1.057 -4.330 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.127 2.366 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.881 2.418 -2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.972 3.931 -1.958 1.00 0.00 H new ATOM 158 N GLY A 46 8.706 5.932 -4.412 1.00 0.00 N ATOM 159 CA GLY A 46 8.579 7.317 -4.000 1.00 0.00 C ATOM 160 C GLY A 46 7.497 7.514 -2.956 1.00 0.00 C ATOM 161 O GLY A 46 7.354 6.704 -2.040 1.00 0.00 O ATOM 0 H GLY A 46 7.921 5.574 -4.957 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.532 7.663 -3.601 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.356 7.933 -4.871 1.00 0.00 H new ATOM 165 N GLU A 47 6.735 8.595 -3.093 1.00 0.00 N ATOM 166 CA GLU A 47 5.661 8.897 -2.154 1.00 0.00 C ATOM 167 C GLU A 47 4.437 9.442 -2.881 1.00 0.00 C ATOM 168 O GLU A 47 4.557 10.079 -3.930 1.00 0.00 O ATOM 169 CB GLU A 47 6.139 9.907 -1.107 1.00 0.00 C ATOM 170 CG GLU A 47 5.619 9.625 0.293 1.00 0.00 C ATOM 171 CD GLU A 47 6.202 10.562 1.332 1.00 0.00 C ATOM 172 OE1 GLU A 47 7.206 10.188 1.973 1.00 0.00 O ATOM 173 OE2 GLU A 47 5.654 11.671 1.505 1.00 0.00 O ATOM 0 H GLU A 47 6.842 9.276 -3.845 1.00 0.00 H new ATOM 0 HA GLU A 47 5.380 7.970 -1.654 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.229 9.909 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.824 10.906 -1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.533 9.714 0.298 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.856 8.596 0.564 1.00 0.00 H new ATOM 180 N ILE A 48 3.260 9.191 -2.319 1.00 0.00 N ATOM 181 CA ILE A 48 2.012 9.657 -2.913 1.00 0.00 C ATOM 182 C ILE A 48 1.554 10.962 -2.271 1.00 0.00 C ATOM 183 O ILE A 48 1.867 11.238 -1.112 1.00 0.00 O ATOM 184 CB ILE A 48 0.894 8.608 -2.770 1.00 0.00 C ATOM 185 CG1 ILE A 48 1.392 7.232 -3.216 1.00 0.00 C ATOM 186 CG2 ILE A 48 -0.327 9.022 -3.579 1.00 0.00 C ATOM 187 CD1 ILE A 48 0.397 6.119 -2.967 1.00 0.00 C ATOM 0 H ILE A 48 3.144 8.667 -1.452 1.00 0.00 H new ATOM 0 HA ILE A 48 2.208 9.824 -3.972 1.00 0.00 H new ATOM 0 HB ILE A 48 0.608 8.546 -1.720 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.627 7.267 -4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.320 7.003 -2.692 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.109 8.271 -3.468 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.694 9.983 -3.218 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.054 9.109 -4.631 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.817 5.173 -3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.180 6.057 -1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.523 6.325 -3.513 1.00 0.00 H new ATOM 199 N THR A 49 0.812 11.761 -3.030 1.00 0.00 N ATOM 200 CA THR A 49 0.311 13.037 -2.533 1.00 0.00 C ATOM 201 C THR A 49 -0.946 12.836 -1.692 1.00 0.00 C ATOM 202 O THR A 49 -1.617 11.809 -1.797 1.00 0.00 O ATOM 203 CB THR A 49 0.014 13.983 -3.697 1.00 0.00 C ATOM 204 OG1 THR A 49 -0.701 13.312 -4.718 1.00 0.00 O ATOM 205 CG2 THR A 49 1.262 14.572 -4.321 1.00 0.00 C ATOM 0 H THR A 49 0.544 11.548 -3.991 1.00 0.00 H new ATOM 0 HA THR A 49 1.082 13.481 -1.903 1.00 0.00 H new ATOM 0 HB THR A 49 -0.577 14.793 -3.269 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.883 13.934 -5.453 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.982 15.234 -5.140 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.812 15.138 -3.569 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.892 13.769 -4.703 1.00 0.00 H new ATOM 213 N LYS A 50 -1.260 13.823 -0.860 1.00 0.00 N ATOM 214 CA LYS A 50 -2.438 13.755 -0.002 1.00 0.00 C ATOM 215 C LYS A 50 -3.713 13.660 -0.835 1.00 0.00 C ATOM 216 O LYS A 50 -4.702 13.064 -0.407 1.00 0.00 O ATOM 217 CB LYS A 50 -2.500 14.981 0.912 1.00 0.00 C ATOM 218 CG LYS A 50 -2.172 14.676 2.365 1.00 0.00 C ATOM 219 CD LYS A 50 -2.966 15.562 3.313 1.00 0.00 C ATOM 220 CE LYS A 50 -2.106 16.062 4.464 1.00 0.00 C ATOM 221 NZ LYS A 50 -2.472 15.412 5.753 1.00 0.00 N ATOM 0 H LYS A 50 -0.715 14.680 -0.761 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.360 12.857 0.611 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.805 15.735 0.542 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.499 15.414 0.857 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.389 13.629 2.576 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.105 14.821 2.537 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.371 16.412 2.764 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.815 15.004 3.708 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.056 15.867 4.244 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.217 17.142 4.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.863 15.779 6.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.467 15.619 5.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.342 14.383 5.672 1.00 0.00 H new ATOM 235 N GLU A 51 -3.684 14.253 -2.024 1.00 0.00 N ATOM 236 CA GLU A 51 -4.838 14.238 -2.916 1.00 0.00 C ATOM 237 C GLU A 51 -5.158 12.818 -3.376 1.00 0.00 C ATOM 238 O GLU A 51 -6.323 12.426 -3.437 1.00 0.00 O ATOM 239 CB GLU A 51 -4.581 15.136 -4.127 1.00 0.00 C ATOM 240 CG GLU A 51 -5.172 16.529 -3.988 1.00 0.00 C ATOM 241 CD GLU A 51 -4.482 17.547 -4.874 1.00 0.00 C ATOM 242 OE1 GLU A 51 -4.972 17.783 -6.000 1.00 0.00 O ATOM 243 OE2 GLU A 51 -3.453 18.109 -4.445 1.00 0.00 O ATOM 0 H GLU A 51 -2.873 14.750 -2.392 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.697 14.619 -2.364 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.506 15.221 -4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.997 14.661 -5.016 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.233 16.496 -4.237 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.098 16.849 -2.949 1.00 0.00 H new ATOM 250 N ASP A 52 -4.121 12.055 -3.702 1.00 0.00 N ATOM 251 CA ASP A 52 -4.299 10.681 -4.159 1.00 0.00 C ATOM 252 C ASP A 52 -4.710 9.769 -3.007 1.00 0.00 C ATOM 253 O ASP A 52 -5.607 8.939 -3.149 1.00 0.00 O ATOM 254 CB ASP A 52 -3.011 10.162 -4.800 1.00 0.00 C ATOM 255 CG ASP A 52 -2.973 10.403 -6.296 1.00 0.00 C ATOM 256 OD1 ASP A 52 -2.196 11.275 -6.739 1.00 0.00 O ATOM 257 OD2 ASP A 52 -3.720 9.719 -7.026 1.00 0.00 O ATOM 0 H ASP A 52 -3.150 12.363 -3.659 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.095 10.676 -4.903 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.154 10.649 -4.334 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.915 9.094 -4.604 1.00 0.00 H new ATOM 262 N LEU A 53 -4.045 9.927 -1.867 1.00 0.00 N ATOM 263 CA LEU A 53 -4.338 9.115 -0.693 1.00 0.00 C ATOM 264 C LEU A 53 -5.745 9.390 -0.169 1.00 0.00 C ATOM 265 O LEU A 53 -6.397 8.500 0.377 1.00 0.00 O ATOM 266 CB LEU A 53 -3.307 9.380 0.408 1.00 0.00 C ATOM 267 CG LEU A 53 -1.852 9.108 0.017 1.00 0.00 C ATOM 268 CD1 LEU A 53 -0.954 9.154 1.244 1.00 0.00 C ATOM 269 CD2 LEU A 53 -1.727 7.762 -0.686 1.00 0.00 C ATOM 0 H LEU A 53 -3.300 10.610 -1.732 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.283 8.067 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.394 10.420 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.556 8.764 1.272 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.532 9.887 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.077 8.959 0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.018 10.139 1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.276 8.397 1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.685 7.588 -0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.066 6.970 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.340 7.764 -1.588 1.00 0.00 H new ATOM 281 N ILE A 54 -6.209 10.626 -0.334 1.00 0.00 N ATOM 282 CA ILE A 54 -7.538 11.011 0.128 1.00 0.00 C ATOM 283 C ILE A 54 -8.609 10.074 -0.431 1.00 0.00 C ATOM 284 O ILE A 54 -9.526 9.667 0.281 1.00 0.00 O ATOM 285 CB ILE A 54 -7.865 12.478 -0.250 1.00 0.00 C ATOM 286 CG1 ILE A 54 -8.625 13.159 0.889 1.00 0.00 C ATOM 287 CG2 ILE A 54 -8.662 12.560 -1.548 1.00 0.00 C ATOM 288 CD1 ILE A 54 -7.729 13.902 1.854 1.00 0.00 C ATOM 0 H ILE A 54 -5.685 11.377 -0.784 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.537 10.929 1.215 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.922 13.000 -0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.348 13.857 0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.192 12.407 1.438 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.872 13.604 -1.780 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.083 12.117 -2.359 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.600 12.017 -1.434 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.336 14.360 2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.023 13.205 2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.182 14.678 1.319 1.00 0.00 H new ATOM 300 N GLN A 55 -8.482 9.737 -1.711 1.00 0.00 N ATOM 301 CA GLN A 55 -9.434 8.848 -2.365 1.00 0.00 C ATOM 302 C GLN A 55 -9.326 7.438 -1.802 1.00 0.00 C ATOM 303 O GLN A 55 -10.333 6.779 -1.550 1.00 0.00 O ATOM 304 CB GLN A 55 -9.199 8.835 -3.877 1.00 0.00 C ATOM 305 CG GLN A 55 -10.056 9.836 -4.635 1.00 0.00 C ATOM 306 CD GLN A 55 -10.427 9.353 -6.022 1.00 0.00 C ATOM 307 OE1 GLN A 55 -10.798 8.194 -6.210 1.00 0.00 O ATOM 308 NE2 GLN A 55 -10.330 10.241 -7.004 1.00 0.00 N ATOM 0 H GLN A 55 -7.729 10.067 -2.315 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.440 9.220 -2.171 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.148 9.046 -4.075 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -9.400 7.834 -4.259 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.966 10.033 -4.068 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.519 10.781 -4.715 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.018 11.191 -6.803 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.567 9.973 -7.959 1.00 0.00 H new ATOM 317 N LYS A 56 -8.098 6.988 -1.596 1.00 0.00 N ATOM 318 CA LYS A 56 -7.858 5.662 -1.045 1.00 0.00 C ATOM 319 C LYS A 56 -8.302 5.617 0.411 1.00 0.00 C ATOM 320 O LYS A 56 -8.752 4.585 0.909 1.00 0.00 O ATOM 321 CB LYS A 56 -6.375 5.293 -1.154 1.00 0.00 C ATOM 322 CG LYS A 56 -5.708 5.794 -2.426 1.00 0.00 C ATOM 323 CD LYS A 56 -4.375 5.103 -2.665 1.00 0.00 C ATOM 324 CE LYS A 56 -3.662 5.676 -3.878 1.00 0.00 C ATOM 325 NZ LYS A 56 -4.502 5.603 -5.105 1.00 0.00 N ATOM 0 H LYS A 56 -7.253 7.520 -1.802 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.437 4.937 -1.618 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.845 5.700 -0.293 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.276 4.209 -1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.367 5.620 -3.277 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.554 6.871 -2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.743 5.214 -1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.538 4.035 -2.808 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.394 6.714 -3.684 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.732 5.132 -4.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.921 5.828 -5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.891 4.643 -5.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.282 6.287 -5.033 1.00 0.00 H new ATOM 339 N SER A 57 -8.169 6.754 1.088 1.00 0.00 N ATOM 340 CA SER A 57 -8.550 6.873 2.488 1.00 0.00 C ATOM 341 C SER A 57 -10.068 6.865 2.661 1.00 0.00 C ATOM 342 O SER A 57 -10.568 6.735 3.778 1.00 0.00 O ATOM 343 CB SER A 57 -7.964 8.153 3.087 1.00 0.00 C ATOM 344 OG SER A 57 -8.793 9.271 2.818 1.00 0.00 O ATOM 0 H SER A 57 -7.796 7.613 0.683 1.00 0.00 H new ATOM 0 HA SER A 57 -8.148 6.008 3.015 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.848 8.034 4.164 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.969 8.327 2.677 1.00 0.00 H new ATOM 0 HG SER A 57 -9.184 9.181 1.924 1.00 0.00 H new ATOM 350 N LEU A 58 -10.804 7.010 1.558 1.00 0.00 N ATOM 351 CA LEU A 58 -12.262 7.025 1.624 1.00 0.00 C ATOM 352 C LEU A 58 -12.799 5.700 2.162 1.00 0.00 C ATOM 353 O LEU A 58 -13.933 5.628 2.634 1.00 0.00 O ATOM 354 CB LEU A 58 -12.856 7.304 0.242 1.00 0.00 C ATOM 355 CG LEU A 58 -12.930 8.782 -0.145 1.00 0.00 C ATOM 356 CD1 LEU A 58 -13.469 8.936 -1.558 1.00 0.00 C ATOM 357 CD2 LEU A 58 -13.795 9.547 0.845 1.00 0.00 C ATOM 0 H LEU A 58 -10.418 7.117 0.620 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.559 7.821 2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.262 6.778 -0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.861 6.883 0.204 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.923 9.199 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.515 9.994 -1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -12.811 8.420 -2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.468 8.505 -1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.837 10.597 0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.802 9.130 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.366 9.463 1.844 1.00 0.00 H new ATOM 369 N GLY A 59 -11.974 4.657 2.107 1.00 0.00 N ATOM 370 CA GLY A 59 -12.387 3.361 2.612 1.00 0.00 C ATOM 371 C GLY A 59 -12.954 2.450 1.541 1.00 0.00 C ATOM 372 O GLY A 59 -13.998 1.828 1.740 1.00 0.00 O ATOM 0 H GLY A 59 -11.030 4.687 1.723 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.532 2.872 3.079 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.136 3.505 3.390 1.00 0.00 H new ATOM 376 N THR A 60 -12.265 2.352 0.409 1.00 0.00 N ATOM 377 CA THR A 60 -12.715 1.491 -0.678 1.00 0.00 C ATOM 378 C THR A 60 -11.529 0.850 -1.392 1.00 0.00 C ATOM 379 O THR A 60 -10.522 1.506 -1.655 1.00 0.00 O ATOM 380 CB THR A 60 -13.554 2.291 -1.675 1.00 0.00 C ATOM 381 OG1 THR A 60 -12.917 3.515 -1.996 1.00 0.00 O ATOM 382 CG2 THR A 60 -14.941 2.617 -1.166 1.00 0.00 C ATOM 0 H THR A 60 -11.398 2.855 0.221 1.00 0.00 H new ATOM 0 HA THR A 60 -13.329 0.699 -0.250 1.00 0.00 H new ATOM 0 HB THR A 60 -13.648 1.651 -2.552 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.468 4.012 -2.636 1.00 0.00 H new ATOM 0 HG21 THR A 60 -15.482 3.185 -1.923 1.00 0.00 H new ATOM 0 HG22 THR A 60 -15.478 1.692 -0.954 1.00 0.00 H new ATOM 0 HG23 THR A 60 -14.864 3.209 -0.254 1.00 0.00 H new ATOM 390 N CYS A 61 -11.660 -0.434 -1.712 1.00 0.00 N ATOM 391 CA CYS A 61 -10.604 -1.161 -2.404 1.00 0.00 C ATOM 392 C CYS A 61 -10.741 -1.007 -3.917 1.00 0.00 C ATOM 393 O CYS A 61 -11.851 -0.997 -4.449 1.00 0.00 O ATOM 394 CB CYS A 61 -10.626 -2.642 -2.015 1.00 0.00 C ATOM 395 SG CYS A 61 -9.294 -3.618 -2.751 1.00 0.00 S ATOM 0 H CYS A 61 -12.488 -0.992 -1.502 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.647 -0.737 -2.102 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -10.564 -2.723 -0.930 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.583 -3.071 -2.312 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.006 -4.617 -1.971 1.00 0.00 H new ATOM 400 N GLN A 62 -9.611 -0.883 -4.602 1.00 0.00 N ATOM 401 CA GLN A 62 -9.608 -0.723 -6.051 1.00 0.00 C ATOM 402 C GLN A 62 -9.861 -2.052 -6.760 1.00 0.00 C ATOM 403 O GLN A 62 -10.488 -2.090 -7.818 1.00 0.00 O ATOM 404 CB GLN A 62 -8.275 -0.132 -6.515 1.00 0.00 C ATOM 405 CG GLN A 62 -8.422 0.922 -7.601 1.00 0.00 C ATOM 406 CD GLN A 62 -7.700 2.212 -7.265 1.00 0.00 C ATOM 407 OE1 GLN A 62 -6.513 2.204 -6.938 1.00 0.00 O ATOM 408 NE2 GLN A 62 -8.413 3.328 -7.344 1.00 0.00 N ATOM 0 H GLN A 62 -8.684 -0.890 -4.177 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.417 -0.040 -6.311 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.765 0.309 -5.659 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.639 -0.937 -6.885 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.034 0.527 -8.540 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.480 1.132 -7.757 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.394 3.288 -7.619 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.980 4.226 -7.129 1.00 0.00 H new ATOM 417 N ASP A 63 -9.364 -3.138 -6.175 1.00 0.00 N ATOM 418 CA ASP A 63 -9.533 -4.464 -6.761 1.00 0.00 C ATOM 419 C ASP A 63 -10.954 -4.984 -6.565 1.00 0.00 C ATOM 420 O ASP A 63 -11.615 -5.386 -7.523 1.00 0.00 O ATOM 421 CB ASP A 63 -8.531 -5.445 -6.147 1.00 0.00 C ATOM 422 CG ASP A 63 -7.120 -5.223 -6.654 1.00 0.00 C ATOM 423 OD1 ASP A 63 -6.282 -4.719 -5.877 1.00 0.00 O ATOM 424 OD2 ASP A 63 -6.853 -5.554 -7.829 1.00 0.00 O ATOM 0 H ASP A 63 -8.843 -3.126 -5.298 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.348 -4.380 -7.832 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.545 -5.342 -5.062 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.840 -6.465 -6.375 1.00 0.00 H new ATOM 429 N CYS A 64 -11.416 -4.981 -5.318 1.00 0.00 N ATOM 430 CA CYS A 64 -12.758 -5.458 -4.999 1.00 0.00 C ATOM 431 C CYS A 64 -13.540 -4.412 -4.214 1.00 0.00 C ATOM 432 O CYS A 64 -13.055 -3.306 -3.976 1.00 0.00 O ATOM 433 CB CYS A 64 -12.676 -6.756 -4.193 1.00 0.00 C ATOM 434 SG CYS A 64 -11.872 -6.576 -2.582 1.00 0.00 S ATOM 0 H CYS A 64 -10.882 -4.654 -4.513 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.282 -5.646 -5.936 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -13.684 -7.142 -4.043 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -12.134 -7.500 -4.777 1.00 0.00 H new ATOM 0 HG CYS A 64 -11.016 -5.599 -2.631 1.00 0.00 H new ATOM 439 N LYS A 65 -14.755 -4.771 -3.809 1.00 0.00 N ATOM 440 CA LYS A 65 -15.606 -3.867 -3.044 1.00 0.00 C ATOM 441 C LYS A 65 -15.497 -4.162 -1.552 1.00 0.00 C ATOM 442 O LYS A 65 -15.770 -5.277 -1.108 1.00 0.00 O ATOM 443 CB LYS A 65 -17.062 -3.997 -3.495 1.00 0.00 C ATOM 444 CG LYS A 65 -17.232 -4.040 -5.005 1.00 0.00 C ATOM 445 CD LYS A 65 -18.653 -4.410 -5.395 1.00 0.00 C ATOM 446 CE LYS A 65 -18.723 -4.925 -6.823 1.00 0.00 C ATOM 447 NZ LYS A 65 -18.384 -3.866 -7.813 1.00 0.00 N ATOM 0 H LYS A 65 -15.172 -5.682 -3.998 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.269 -2.846 -3.225 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -17.487 -4.904 -3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.633 -3.158 -3.098 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -16.979 -3.068 -5.429 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.537 -4.764 -5.430 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -19.032 -5.172 -4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -19.299 -3.538 -5.289 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -18.037 -5.764 -6.940 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -19.726 -5.302 -7.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -18.460 -4.253 -8.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -19.043 -3.068 -7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -17.412 -3.536 -7.649 1.00 0.00 H new ATOM 529 N LEU A 71 -7.407 0.220 4.885 1.00 0.00 N ATOM 530 CA LEU A 71 -7.050 -0.103 3.508 1.00 0.00 C ATOM 531 C LEU A 71 -5.591 0.243 3.222 1.00 0.00 C ATOM 532 O LEU A 71 -5.057 1.224 3.746 1.00 0.00 O ATOM 533 CB LEU A 71 -7.967 0.643 2.534 1.00 0.00 C ATOM 534 CG LEU A 71 -9.134 -0.180 1.987 1.00 0.00 C ATOM 535 CD1 LEU A 71 -10.114 0.713 1.244 1.00 0.00 C ATOM 536 CD2 LEU A 71 -8.624 -1.288 1.077 1.00 0.00 C ATOM 0 HA LEU A 71 -7.179 -1.176 3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.367 1.523 3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.369 0.999 1.695 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.656 -0.638 2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.938 0.110 0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.504 1.470 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.604 1.200 0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.468 -1.864 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.077 -0.850 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.961 -1.945 1.640 1.00 0.00 H new ATOM 548 N TRP A 72 -4.954 -0.571 2.386 1.00 0.00 N ATOM 549 CA TRP A 72 -3.557 -0.357 2.025 1.00 0.00 C ATOM 550 C TRP A 72 -3.428 0.099 0.576 1.00 0.00 C ATOM 551 O TRP A 72 -4.150 -0.373 -0.301 1.00 0.00 O ATOM 552 CB TRP A 72 -2.754 -1.641 2.241 1.00 0.00 C ATOM 553 CG TRP A 72 -2.826 -2.161 3.645 1.00 0.00 C ATOM 554 CD1 TRP A 72 -3.956 -2.426 4.363 1.00 0.00 C ATOM 555 CD2 TRP A 72 -1.722 -2.478 4.500 1.00 0.00 C ATOM 556 NE1 TRP A 72 -3.623 -2.890 5.612 1.00 0.00 N ATOM 557 CE2 TRP A 72 -2.257 -2.931 5.722 1.00 0.00 C ATOM 558 CE3 TRP A 72 -0.333 -2.425 4.352 1.00 0.00 C ATOM 559 CZ2 TRP A 72 -1.452 -3.327 6.786 1.00 0.00 C ATOM 560 CZ3 TRP A 72 0.466 -2.819 5.411 1.00 0.00 C ATOM 561 CH2 TRP A 72 -0.096 -3.265 6.613 1.00 0.00 C ATOM 0 H TRP A 72 -5.383 -1.385 1.946 1.00 0.00 H new ATOM 0 HA TRP A 72 -3.159 0.428 2.667 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.120 -2.408 1.558 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -1.711 -1.456 1.983 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -4.965 -2.291 4.002 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.285 -3.160 6.340 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.109 -2.083 3.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.882 -3.671 7.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.540 -2.782 5.308 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.554 -3.567 7.421 1.00 0.00 H new ATOM 572 N ALA A 73 -2.500 1.016 0.332 1.00 0.00 N ATOM 573 CA ALA A 73 -2.270 1.535 -1.010 1.00 0.00 C ATOM 574 C ALA A 73 -0.824 1.315 -1.438 1.00 0.00 C ATOM 575 O ALA A 73 0.094 1.396 -0.621 1.00 0.00 O ATOM 576 CB ALA A 73 -2.625 3.012 -1.072 1.00 0.00 C ATOM 0 H ALA A 73 -1.893 1.416 1.048 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.913 0.991 -1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.448 3.387 -2.080 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.676 3.145 -0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.006 3.565 -0.366 1.00 0.00 H new ATOM 582 N CYS A 74 -0.625 1.037 -2.723 1.00 0.00 N ATOM 583 CA CYS A 74 0.713 0.805 -3.254 1.00 0.00 C ATOM 584 C CYS A 74 1.622 1.999 -2.975 1.00 0.00 C ATOM 585 O CYS A 74 1.212 3.151 -3.121 1.00 0.00 O ATOM 586 CB CYS A 74 0.650 0.526 -4.756 1.00 0.00 C ATOM 587 SG CYS A 74 2.196 -0.102 -5.448 1.00 0.00 S ATOM 0 H CYS A 74 -1.372 0.967 -3.414 1.00 0.00 H new ATOM 0 HA CYS A 74 1.131 -0.068 -2.753 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.143 -0.196 -4.949 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.377 1.445 -5.275 1.00 0.00 H new ATOM 0 HG CYS A 74 2.204 -1.400 -5.384 1.00 0.00 H new ATOM 592 N LEU A 75 2.853 1.715 -2.562 1.00 0.00 N ATOM 593 CA LEU A 75 3.816 2.764 -2.245 1.00 0.00 C ATOM 594 C LEU A 75 4.593 3.218 -3.481 1.00 0.00 C ATOM 595 O LEU A 75 5.223 4.276 -3.469 1.00 0.00 O ATOM 596 CB LEU A 75 4.793 2.273 -1.177 1.00 0.00 C ATOM 597 CG LEU A 75 5.710 3.348 -0.592 1.00 0.00 C ATOM 598 CD1 LEU A 75 4.891 4.489 -0.007 1.00 0.00 C ATOM 599 CD2 LEU A 75 6.624 2.749 0.464 1.00 0.00 C ATOM 0 H LEU A 75 3.208 0.767 -2.439 1.00 0.00 H new ATOM 0 HA LEU A 75 3.255 3.620 -1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.223 1.823 -0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.411 1.485 -1.607 1.00 0.00 H new ATOM 0 HG LEU A 75 6.328 3.748 -1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.561 5.244 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.278 4.936 -0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.247 4.106 0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.270 3.527 0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.022 2.322 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.236 1.967 0.014 1.00 0.00 H new ATOM 611 N GLU A 76 4.552 2.421 -4.546 1.00 0.00 N ATOM 612 CA GLU A 76 5.262 2.759 -5.777 1.00 0.00 C ATOM 613 C GLU A 76 4.886 4.159 -6.257 1.00 0.00 C ATOM 614 O GLU A 76 3.713 4.532 -6.257 1.00 0.00 O ATOM 615 CB GLU A 76 4.957 1.733 -6.867 1.00 0.00 C ATOM 616 CG GLU A 76 6.126 1.471 -7.801 1.00 0.00 C ATOM 617 CD GLU A 76 6.892 0.214 -7.439 1.00 0.00 C ATOM 618 OE1 GLU A 76 7.612 -0.316 -8.312 1.00 0.00 O ATOM 619 OE2 GLU A 76 6.774 -0.241 -6.282 1.00 0.00 O ATOM 0 H GLU A 76 4.037 1.541 -4.582 1.00 0.00 H new ATOM 0 HA GLU A 76 6.331 2.743 -5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.660 0.795 -6.398 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.106 2.080 -7.453 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.757 1.385 -8.823 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.804 2.324 -7.777 1.00 0.00 H new ATOM 626 N ASN A 77 5.891 4.930 -6.660 1.00 0.00 N ATOM 627 CA ASN A 77 5.668 6.290 -7.138 1.00 0.00 C ATOM 628 C ASN A 77 4.850 6.296 -8.426 1.00 0.00 C ATOM 629 O ASN A 77 4.007 7.168 -8.634 1.00 0.00 O ATOM 630 CB ASN A 77 7.005 6.997 -7.368 1.00 0.00 C ATOM 631 CG ASN A 77 6.839 8.440 -7.768 1.00 0.00 C ATOM 632 OD1 ASN A 77 5.722 8.946 -7.879 1.00 0.00 O ATOM 633 ND2 ASN A 77 7.958 9.109 -7.990 1.00 0.00 N ATOM 0 H ASN A 77 6.868 4.636 -6.665 1.00 0.00 H new ATOM 0 HA ASN A 77 5.105 6.825 -6.373 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.601 6.943 -6.457 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.561 6.471 -8.144 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.919 10.090 -8.267 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.860 8.644 -7.884 1.00 0.00 H new ATOM 640 N ARG A 78 5.109 5.321 -9.289 1.00 0.00 N ATOM 641 CA ARG A 78 4.399 5.215 -10.559 1.00 0.00 C ATOM 642 C ARG A 78 3.078 4.468 -10.395 1.00 0.00 C ATOM 643 O ARG A 78 2.146 4.659 -11.175 1.00 0.00 O ATOM 644 CB ARG A 78 5.271 4.506 -11.598 1.00 0.00 C ATOM 645 CG ARG A 78 4.822 4.742 -13.032 1.00 0.00 C ATOM 646 CD ARG A 78 4.398 3.446 -13.707 1.00 0.00 C ATOM 647 NE ARG A 78 4.783 3.411 -15.116 1.00 0.00 N ATOM 648 CZ ARG A 78 6.044 3.391 -15.540 1.00 0.00 C ATOM 649 NH1 ARG A 78 7.045 3.402 -14.669 1.00 0.00 N ATOM 650 NH2 ARG A 78 6.305 3.358 -16.840 1.00 0.00 N ATOM 0 H ARG A 78 5.805 4.592 -9.133 1.00 0.00 H new ATOM 0 HA ARG A 78 4.180 6.226 -10.903 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.301 4.845 -11.488 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.265 3.435 -11.396 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.991 5.447 -13.042 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.634 5.199 -13.598 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.850 2.602 -13.187 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.317 3.330 -13.624 1.00 0.00 H new ATOM 0 HE ARG A 78 4.041 3.401 -15.816 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.850 3.426 -13.668 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.010 3.387 -15.000 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.539 3.348 -17.514 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.271 3.343 -17.166 1.00 0.00 H new ATOM 664 N CYS A 79 3.005 3.616 -9.377 1.00 0.00 N ATOM 665 CA CYS A 79 1.798 2.839 -9.117 1.00 0.00 C ATOM 666 C CYS A 79 0.949 3.489 -8.027 1.00 0.00 C ATOM 667 O CYS A 79 1.449 3.825 -6.953 1.00 0.00 O ATOM 668 CB CYS A 79 2.166 1.413 -8.704 1.00 0.00 C ATOM 669 SG CYS A 79 0.954 0.163 -9.192 1.00 0.00 S ATOM 0 H CYS A 79 3.766 3.446 -8.720 1.00 0.00 H new ATOM 0 HA CYS A 79 1.214 2.809 -10.037 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.131 1.158 -9.142 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.289 1.381 -7.621 1.00 0.00 H new ATOM 0 HG CYS A 79 0.985 -0.824 -8.347 1.00 0.00 H new ATOM 674 N SER A 80 -0.338 3.655 -8.310 1.00 0.00 N ATOM 675 CA SER A 80 -1.262 4.255 -7.355 1.00 0.00 C ATOM 676 C SER A 80 -2.535 3.423 -7.252 1.00 0.00 C ATOM 677 O SER A 80 -3.628 3.892 -7.574 1.00 0.00 O ATOM 678 CB SER A 80 -1.602 5.688 -7.772 1.00 0.00 C ATOM 679 OG SER A 80 -2.128 6.426 -6.681 1.00 0.00 O ATOM 0 H SER A 80 -0.766 3.382 -9.195 1.00 0.00 H new ATOM 0 HA SER A 80 -0.780 4.279 -6.377 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.707 6.182 -8.151 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.326 5.671 -8.586 1.00 0.00 H new ATOM 0 HG SER A 80 -2.843 7.016 -6.999 1.00 0.00 H new ATOM 685 N TYR A 81 -2.382 2.180 -6.808 1.00 0.00 N ATOM 686 CA TYR A 81 -3.514 1.272 -6.670 1.00 0.00 C ATOM 687 C TYR A 81 -3.910 1.099 -5.207 1.00 0.00 C ATOM 688 O TYR A 81 -3.068 1.159 -4.312 1.00 0.00 O ATOM 689 CB TYR A 81 -3.170 -0.089 -7.279 1.00 0.00 C ATOM 690 CG TYR A 81 -3.707 -0.278 -8.681 1.00 0.00 C ATOM 691 CD1 TYR A 81 -5.071 -0.224 -8.935 1.00 0.00 C ATOM 692 CD2 TYR A 81 -2.849 -0.512 -9.747 1.00 0.00 C ATOM 693 CE1 TYR A 81 -5.565 -0.396 -10.213 1.00 0.00 C ATOM 694 CE2 TYR A 81 -3.335 -0.685 -11.029 1.00 0.00 C ATOM 695 CZ TYR A 81 -4.694 -0.626 -11.257 1.00 0.00 C ATOM 696 OH TYR A 81 -5.183 -0.799 -12.531 1.00 0.00 O ATOM 0 H TYR A 81 -1.484 1.778 -6.537 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.361 1.706 -7.202 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.087 -0.207 -7.295 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.567 -0.876 -6.638 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.757 -0.045 -8.120 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.784 -0.560 -9.572 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -6.629 -0.351 -10.394 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.654 -0.865 -11.848 1.00 0.00 H new ATOM 0 HH TYR A 81 -4.438 -0.950 -13.150 1.00 0.00 H new ATOM 706 N VAL A 82 -5.200 0.878 -4.976 1.00 0.00 N ATOM 707 CA VAL A 82 -5.715 0.687 -3.625 1.00 0.00 C ATOM 708 C VAL A 82 -6.121 -0.766 -3.403 1.00 0.00 C ATOM 709 O VAL A 82 -6.986 -1.290 -4.102 1.00 0.00 O ATOM 710 CB VAL A 82 -6.931 1.593 -3.349 1.00 0.00 C ATOM 711 CG1 VAL A 82 -7.244 1.625 -1.860 1.00 0.00 C ATOM 712 CG2 VAL A 82 -6.689 2.998 -3.882 1.00 0.00 C ATOM 0 H VAL A 82 -5.909 0.827 -5.708 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.913 0.955 -2.937 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.794 1.179 -3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.105 2.269 -1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.468 0.616 -1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.383 2.013 -1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.560 3.620 -3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.814 3.426 -3.394 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.520 2.955 -4.958 1.00 0.00 H new ATOM 722 N GLY A 83 -5.487 -1.412 -2.430 1.00 0.00 N ATOM 723 CA GLY A 83 -5.798 -2.800 -2.144 1.00 0.00 C ATOM 724 C GLY A 83 -6.033 -3.056 -0.669 1.00 0.00 C ATOM 725 O GLY A 83 -5.653 -2.248 0.179 1.00 0.00 O ATOM 0 H GLY A 83 -4.766 -1.001 -1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.686 -3.092 -2.705 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.980 -3.430 -2.492 1.00 0.00 H new ATOM 729 N CYS A 84 -6.656 -4.187 -0.362 1.00 0.00 N ATOM 730 CA CYS A 84 -6.939 -4.555 1.019 1.00 0.00 C ATOM 731 C CYS A 84 -5.963 -5.624 1.501 1.00 0.00 C ATOM 732 O CYS A 84 -5.492 -6.448 0.715 1.00 0.00 O ATOM 733 CB CYS A 84 -8.378 -5.057 1.155 1.00 0.00 C ATOM 734 SG CYS A 84 -8.837 -6.331 -0.044 1.00 0.00 S ATOM 0 H CYS A 84 -6.975 -4.866 -1.053 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.817 -3.667 1.640 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.519 -5.453 2.161 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -9.057 -4.211 1.047 1.00 0.00 H new ATOM 0 HG CYS A 84 -9.925 -5.975 -0.660 1.00 0.00 H new ATOM 739 N GLY A 85 -5.657 -5.599 2.794 1.00 0.00 N ATOM 740 CA GLY A 85 -4.731 -6.565 3.357 1.00 0.00 C ATOM 741 C GLY A 85 -5.387 -7.895 3.671 1.00 0.00 C ATOM 742 O GLY A 85 -6.443 -8.221 3.128 1.00 0.00 O ATOM 0 H GLY A 85 -6.034 -4.927 3.462 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.911 -6.726 2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.296 -6.156 4.269 1.00 0.00 H new ATOM 746 N GLU A 86 -4.753 -8.668 4.550 1.00 0.00 N ATOM 747 CA GLU A 86 -5.271 -9.975 4.941 1.00 0.00 C ATOM 748 C GLU A 86 -6.678 -9.866 5.527 1.00 0.00 C ATOM 749 O GLU A 86 -7.407 -10.856 5.592 1.00 0.00 O ATOM 750 CB GLU A 86 -4.331 -10.628 5.958 1.00 0.00 C ATOM 751 CG GLU A 86 -3.910 -12.038 5.576 1.00 0.00 C ATOM 752 CD GLU A 86 -3.953 -12.996 6.750 1.00 0.00 C ATOM 753 OE1 GLU A 86 -3.098 -12.869 7.653 1.00 0.00 O ATOM 754 OE2 GLU A 86 -4.841 -13.874 6.768 1.00 0.00 O ATOM 0 H GLU A 86 -3.878 -8.410 5.005 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.326 -10.595 4.046 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.441 -10.009 6.068 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.823 -10.655 6.930 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.564 -12.407 4.786 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.900 -12.014 5.168 1.00 0.00 H new ATOM 761 N SER A 87 -7.054 -8.665 5.955 1.00 0.00 N ATOM 762 CA SER A 87 -8.374 -8.442 6.535 1.00 0.00 C ATOM 763 C SER A 87 -9.480 -8.737 5.524 1.00 0.00 C ATOM 764 O SER A 87 -10.637 -8.928 5.899 1.00 0.00 O ATOM 765 CB SER A 87 -8.496 -7.001 7.035 1.00 0.00 C ATOM 766 OG SER A 87 -9.741 -6.787 7.676 1.00 0.00 O ATOM 0 H SER A 87 -6.465 -7.833 5.911 1.00 0.00 H new ATOM 0 HA SER A 87 -8.490 -9.126 7.376 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.684 -6.784 7.729 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.392 -6.312 6.197 1.00 0.00 H new ATOM 0 HG SER A 87 -9.793 -5.859 7.988 1.00 0.00 H new ATOM 772 N GLN A 88 -9.124 -8.772 4.242 1.00 0.00 N ATOM 773 CA GLN A 88 -10.095 -9.044 3.189 1.00 0.00 C ATOM 774 C GLN A 88 -9.629 -10.190 2.295 1.00 0.00 C ATOM 775 O GLN A 88 -10.109 -11.317 2.415 1.00 0.00 O ATOM 776 CB GLN A 88 -10.331 -7.787 2.349 1.00 0.00 C ATOM 777 CG GLN A 88 -11.561 -6.999 2.767 1.00 0.00 C ATOM 778 CD GLN A 88 -12.813 -7.438 2.033 1.00 0.00 C ATOM 779 OE1 GLN A 88 -13.768 -7.917 2.644 1.00 0.00 O ATOM 780 NE2 GLN A 88 -12.813 -7.276 0.715 1.00 0.00 N ATOM 0 H GLN A 88 -8.173 -8.616 3.909 1.00 0.00 H new ATOM 0 HA GLN A 88 -11.032 -9.339 3.662 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.455 -7.142 2.421 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.431 -8.073 1.302 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.714 -7.114 3.840 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.389 -5.939 2.582 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.999 -6.874 0.251 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.628 -7.553 0.167 1.00 0.00 H new ATOM 789 N VAL A 89 -8.694 -9.895 1.396 1.00 0.00 N ATOM 790 CA VAL A 89 -8.170 -10.905 0.481 1.00 0.00 C ATOM 791 C VAL A 89 -6.673 -10.723 0.240 1.00 0.00 C ATOM 792 O VAL A 89 -6.122 -11.268 -0.716 1.00 0.00 O ATOM 793 CB VAL A 89 -8.900 -10.865 -0.876 1.00 0.00 C ATOM 794 CG1 VAL A 89 -8.561 -12.095 -1.702 1.00 0.00 C ATOM 795 CG2 VAL A 89 -10.404 -10.747 -0.674 1.00 0.00 C ATOM 0 H VAL A 89 -8.285 -8.968 1.282 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.341 -11.871 0.956 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.561 -9.984 -1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.086 -12.048 -2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.486 -12.129 -1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -8.868 -12.991 -1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.900 -10.720 -1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.763 -11.605 -0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.627 -9.831 -0.127 1.00 0.00 H new ATOM 805 N ASP A 90 -6.016 -9.953 1.106 1.00 0.00 N ATOM 806 CA ASP A 90 -4.583 -9.705 0.976 1.00 0.00 C ATOM 807 C ASP A 90 -4.238 -9.225 -0.432 1.00 0.00 C ATOM 808 O ASP A 90 -3.190 -9.572 -0.981 1.00 0.00 O ATOM 809 CB ASP A 90 -3.794 -10.975 1.305 1.00 0.00 C ATOM 810 CG ASP A 90 -2.684 -10.722 2.307 1.00 0.00 C ATOM 811 OD1 ASP A 90 -1.670 -11.450 2.266 1.00 0.00 O ATOM 812 OD2 ASP A 90 -2.829 -9.794 3.131 1.00 0.00 O ATOM 0 H ASP A 90 -6.453 -9.491 1.904 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.308 -8.922 1.683 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.473 -11.729 1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.367 -11.382 0.388 1.00 0.00 H new ATOM 817 N HIS A 91 -5.125 -8.417 -1.007 1.00 0.00 N ATOM 818 CA HIS A 91 -4.919 -7.881 -2.348 1.00 0.00 C ATOM 819 C HIS A 91 -3.579 -7.162 -2.441 1.00 0.00 C ATOM 820 O HIS A 91 -2.889 -7.243 -3.456 1.00 0.00 O ATOM 821 CB HIS A 91 -6.055 -6.924 -2.716 1.00 0.00 C ATOM 822 CG HIS A 91 -7.169 -7.579 -3.471 1.00 0.00 C ATOM 823 ND1 HIS A 91 -8.462 -7.126 -3.375 1.00 0.00 N ATOM 824 CD2 HIS A 91 -7.133 -8.643 -4.311 1.00 0.00 C ATOM 825 CE1 HIS A 91 -9.180 -7.916 -4.153 1.00 0.00 C ATOM 826 NE2 HIS A 91 -8.418 -8.851 -4.741 1.00 0.00 N ATOM 0 H HIS A 91 -5.994 -8.119 -0.564 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.914 -8.713 -3.052 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.456 -6.482 -1.804 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.652 -6.108 -3.315 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.260 -9.216 -4.588 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.246 -7.821 -4.298 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.734 -9.577 -5.384 1.00 0.00 H new ATOM 834 N SER A 92 -3.216 -6.464 -1.370 1.00 0.00 N ATOM 835 CA SER A 92 -1.954 -5.738 -1.329 1.00 0.00 C ATOM 836 C SER A 92 -0.780 -6.691 -1.534 1.00 0.00 C ATOM 837 O SER A 92 0.210 -6.346 -2.180 1.00 0.00 O ATOM 838 CB SER A 92 -1.805 -5.002 0.004 1.00 0.00 C ATOM 839 OG SER A 92 -2.347 -3.695 -0.072 1.00 0.00 O ATOM 0 H SER A 92 -3.777 -6.386 -0.522 1.00 0.00 H new ATOM 0 HA SER A 92 -1.954 -5.006 -2.137 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.309 -5.563 0.791 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.751 -4.947 0.277 1.00 0.00 H new ATOM 0 HG SER A 92 -3.320 -3.737 0.039 1.00 0.00 H new ATOM 845 N THR A 93 -0.903 -7.896 -0.985 1.00 0.00 N ATOM 846 CA THR A 93 0.144 -8.901 -1.113 1.00 0.00 C ATOM 847 C THR A 93 0.203 -9.434 -2.539 1.00 0.00 C ATOM 848 O THR A 93 1.259 -9.428 -3.174 1.00 0.00 O ATOM 849 CB THR A 93 -0.097 -10.050 -0.132 1.00 0.00 C ATOM 850 OG1 THR A 93 -0.145 -9.569 1.201 1.00 0.00 O ATOM 851 CG2 THR A 93 0.967 -11.124 -0.194 1.00 0.00 C ATOM 0 H THR A 93 -1.716 -8.199 -0.449 1.00 0.00 H new ATOM 0 HA THR A 93 1.099 -8.432 -0.877 1.00 0.00 H new ATOM 0 HB THR A 93 -1.050 -10.488 -0.429 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.355 -10.309 1.808 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.735 -11.908 0.527 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.996 -11.550 -1.197 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.938 -10.689 0.043 1.00 0.00 H new ATOM 859 N ILE A 94 -0.938 -9.887 -3.046 1.00 0.00 N ATOM 860 CA ILE A 94 -1.004 -10.413 -4.404 1.00 0.00 C ATOM 861 C ILE A 94 -0.500 -9.376 -5.398 1.00 0.00 C ATOM 862 O ILE A 94 0.341 -9.669 -6.248 1.00 0.00 O ATOM 863 CB ILE A 94 -2.436 -10.829 -4.802 1.00 0.00 C ATOM 864 CG1 ILE A 94 -3.149 -11.511 -3.629 1.00 0.00 C ATOM 865 CG2 ILE A 94 -2.397 -11.746 -6.017 1.00 0.00 C ATOM 866 CD1 ILE A 94 -4.471 -12.149 -4.003 1.00 0.00 C ATOM 0 H ILE A 94 -1.824 -9.901 -2.541 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.371 -11.300 -4.428 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.999 -9.932 -5.062 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.493 -12.275 -3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.321 -10.775 -2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.413 -12.033 -6.289 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.932 -11.223 -6.853 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.819 -12.639 -5.780 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.915 -12.611 -3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.146 -11.386 -4.392 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.305 -12.910 -4.766 1.00 0.00 H new ATOM 878 N HIS A 95 -1.009 -8.155 -5.271 1.00 0.00 N ATOM 879 CA HIS A 95 -0.597 -7.065 -6.147 1.00 0.00 C ATOM 880 C HIS A 95 0.902 -6.826 -6.012 1.00 0.00 C ATOM 881 O HIS A 95 1.589 -6.544 -6.993 1.00 0.00 O ATOM 882 CB HIS A 95 -1.370 -5.784 -5.811 1.00 0.00 C ATOM 883 CG HIS A 95 -0.825 -4.555 -6.476 1.00 0.00 C ATOM 884 ND1 HIS A 95 -1.482 -3.863 -7.469 1.00 0.00 N ATOM 885 CD2 HIS A 95 0.346 -3.898 -6.273 1.00 0.00 C ATOM 886 CE1 HIS A 95 -0.706 -2.831 -7.831 1.00 0.00 C ATOM 887 NE2 HIS A 95 0.414 -2.807 -7.135 1.00 0.00 N ATOM 0 H HIS A 95 -1.705 -7.896 -4.572 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.820 -7.342 -7.177 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.412 -5.912 -6.104 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.358 -5.637 -4.731 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -2.396 -4.094 -7.859 1.00 0.00 H new ATOM 0 HD2 HIS A 95 1.104 -4.178 -5.557 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -0.965 -2.112 -8.594 1.00 0.00 H new ATOM 895 N SER A 96 1.403 -6.946 -4.786 1.00 0.00 N ATOM 896 CA SER A 96 2.821 -6.748 -4.519 1.00 0.00 C ATOM 897 C SER A 96 3.668 -7.708 -5.349 1.00 0.00 C ATOM 898 O SER A 96 4.679 -7.319 -5.922 1.00 0.00 O ATOM 899 CB SER A 96 3.114 -6.939 -3.027 1.00 0.00 C ATOM 900 OG SER A 96 4.464 -7.315 -2.811 1.00 0.00 O ATOM 0 H SER A 96 0.847 -7.179 -3.963 1.00 0.00 H new ATOM 0 HA SER A 96 3.082 -5.728 -4.801 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.902 -6.014 -2.491 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.452 -7.703 -2.619 1.00 0.00 H new ATOM 0 HG SER A 96 4.645 -7.347 -1.848 1.00 0.00 H new ATOM 906 N GLN A 97 3.253 -8.965 -5.413 1.00 0.00 N ATOM 907 CA GLN A 97 3.993 -9.960 -6.182 1.00 0.00 C ATOM 908 C GLN A 97 3.853 -9.713 -7.684 1.00 0.00 C ATOM 909 O GLN A 97 4.841 -9.707 -8.418 1.00 0.00 O ATOM 910 CB GLN A 97 3.508 -11.369 -5.833 1.00 0.00 C ATOM 911 CG GLN A 97 4.343 -12.051 -4.758 1.00 0.00 C ATOM 912 CD GLN A 97 4.601 -11.152 -3.563 1.00 0.00 C ATOM 913 OE1 GLN A 97 5.722 -11.074 -3.060 1.00 0.00 O ATOM 914 NE2 GLN A 97 3.559 -10.469 -3.105 1.00 0.00 N ATOM 0 H GLN A 97 2.417 -9.319 -4.948 1.00 0.00 H new ATOM 0 HA GLN A 97 5.047 -9.871 -5.920 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.472 -11.315 -5.497 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.520 -11.982 -6.734 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.832 -12.955 -4.425 1.00 0.00 H new ATOM 0 HG3 GLN A 97 5.296 -12.363 -5.186 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.648 -10.566 -3.554 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.669 -9.848 -2.304 1.00 0.00 H new ATOM 923 N GLU A 98 2.616 -9.518 -8.131 1.00 0.00 N ATOM 924 CA GLU A 98 2.331 -9.284 -9.546 1.00 0.00 C ATOM 925 C GLU A 98 3.216 -8.189 -10.144 1.00 0.00 C ATOM 926 O GLU A 98 3.794 -8.369 -11.216 1.00 0.00 O ATOM 927 CB GLU A 98 0.855 -8.917 -9.727 1.00 0.00 C ATOM 928 CG GLU A 98 0.056 -9.968 -10.481 1.00 0.00 C ATOM 929 CD GLU A 98 -0.747 -9.383 -11.626 1.00 0.00 C ATOM 930 OE1 GLU A 98 -0.399 -9.655 -12.794 1.00 0.00 O ATOM 931 OE2 GLU A 98 -1.723 -8.652 -11.355 1.00 0.00 O ATOM 0 H GLU A 98 1.790 -9.517 -7.532 1.00 0.00 H new ATOM 0 HA GLU A 98 2.552 -10.209 -10.079 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.404 -8.764 -8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.787 -7.969 -10.261 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.736 -10.726 -10.870 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.619 -10.471 -9.789 1.00 0.00 H new ATOM 938 N THR A 99 3.308 -7.053 -9.460 1.00 0.00 N ATOM 939 CA THR A 99 4.113 -5.936 -9.951 1.00 0.00 C ATOM 940 C THR A 99 5.450 -5.829 -9.218 1.00 0.00 C ATOM 941 O THR A 99 6.170 -4.844 -9.373 1.00 0.00 O ATOM 942 CB THR A 99 3.341 -4.624 -9.798 1.00 0.00 C ATOM 943 OG1 THR A 99 2.900 -4.457 -8.464 1.00 0.00 O ATOM 944 CG2 THR A 99 2.129 -4.533 -10.700 1.00 0.00 C ATOM 0 H THR A 99 2.840 -6.880 -8.571 1.00 0.00 H new ATOM 0 HA THR A 99 4.321 -6.124 -11.004 1.00 0.00 H new ATOM 0 HB THR A 99 4.043 -3.840 -10.083 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.755 -3.505 -8.284 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.628 -3.578 -10.541 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.444 -4.609 -11.741 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.441 -5.347 -10.469 1.00 0.00 H new ATOM 952 N LYS A 100 5.781 -6.840 -8.423 1.00 0.00 N ATOM 953 CA LYS A 100 7.033 -6.836 -7.676 1.00 0.00 C ATOM 954 C LYS A 100 7.109 -5.639 -6.727 1.00 0.00 C ATOM 955 O LYS A 100 8.193 -5.243 -6.300 1.00 0.00 O ATOM 956 CB LYS A 100 8.223 -6.812 -8.636 1.00 0.00 C ATOM 957 CG LYS A 100 8.600 -8.185 -9.172 1.00 0.00 C ATOM 958 CD LYS A 100 9.995 -8.598 -8.728 1.00 0.00 C ATOM 959 CE LYS A 100 11.016 -8.399 -9.837 1.00 0.00 C ATOM 960 NZ LYS A 100 11.818 -7.161 -9.638 1.00 0.00 N ATOM 0 H LYS A 100 5.204 -7.668 -8.279 1.00 0.00 H new ATOM 0 HA LYS A 100 7.068 -7.748 -7.080 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.990 -6.155 -9.474 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.084 -6.382 -8.124 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.875 -8.922 -8.827 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.552 -8.176 -10.261 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.287 -8.015 -7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 100 9.986 -9.645 -8.424 1.00 0.00 H new ATOM 0 HE2 LYS A 100 11.682 -9.261 -9.876 1.00 0.00 H new ATOM 0 HE3 LYS A 100 10.503 -8.349 -10.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.502 -7.062 -10.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.185 -6.336 -9.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 12.328 -7.219 -8.733 1.00 0.00 H new ATOM 974 N HIS A 101 5.949 -5.085 -6.380 1.00 0.00 N ATOM 975 CA HIS A 101 5.885 -3.957 -5.460 1.00 0.00 C ATOM 976 C HIS A 101 5.766 -4.472 -4.030 1.00 0.00 C ATOM 977 O HIS A 101 4.672 -4.793 -3.567 1.00 0.00 O ATOM 978 CB HIS A 101 4.689 -3.059 -5.791 1.00 0.00 C ATOM 979 CG HIS A 101 4.706 -2.517 -7.187 1.00 0.00 C ATOM 980 ND1 HIS A 101 3.602 -1.906 -7.732 1.00 0.00 N ATOM 981 CD2 HIS A 101 5.708 -2.513 -8.098 1.00 0.00 C ATOM 982 CE1 HIS A 101 3.954 -1.546 -8.953 1.00 0.00 C ATOM 983 NE2 HIS A 101 5.221 -1.893 -9.221 1.00 0.00 N ATOM 0 H HIS A 101 5.042 -5.401 -6.723 1.00 0.00 H new ATOM 0 HA HIS A 101 6.797 -3.369 -5.561 1.00 0.00 H new ATOM 0 HB2 HIS A 101 3.770 -3.625 -5.643 1.00 0.00 H new ATOM 0 HB3 HIS A 101 4.667 -2.226 -5.088 1.00 0.00 H new ATOM 0 HD1 HIS A 101 2.697 -1.760 -7.285 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.700 -2.920 -7.966 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.303 -1.036 -9.648 1.00 0.00 H new ATOM 991 N TYR A 102 6.896 -4.563 -3.337 1.00 0.00 N ATOM 992 CA TYR A 102 6.913 -5.060 -1.965 1.00 0.00 C ATOM 993 C TYR A 102 6.725 -3.937 -0.949 1.00 0.00 C ATOM 994 O TYR A 102 7.102 -4.078 0.215 1.00 0.00 O ATOM 995 CB TYR A 102 8.228 -5.785 -1.687 1.00 0.00 C ATOM 996 CG TYR A 102 8.599 -6.797 -2.746 1.00 0.00 C ATOM 997 CD1 TYR A 102 7.842 -7.946 -2.928 1.00 0.00 C ATOM 998 CD2 TYR A 102 9.707 -6.602 -3.561 1.00 0.00 C ATOM 999 CE1 TYR A 102 8.177 -8.874 -3.893 1.00 0.00 C ATOM 1000 CE2 TYR A 102 10.049 -7.526 -4.530 1.00 0.00 C ATOM 1001 CZ TYR A 102 9.280 -8.662 -4.692 1.00 0.00 C ATOM 1002 OH TYR A 102 9.616 -9.588 -5.655 1.00 0.00 O ATOM 0 H TYR A 102 7.811 -4.300 -3.702 1.00 0.00 H new ATOM 0 HA TYR A 102 6.078 -5.752 -1.859 1.00 0.00 H new ATOM 0 HB2 TYR A 102 9.028 -5.049 -1.604 1.00 0.00 H new ATOM 0 HB3 TYR A 102 8.158 -6.290 -0.723 1.00 0.00 H new ATOM 0 HD1 TYR A 102 6.977 -8.117 -2.304 1.00 0.00 H new ATOM 0 HD2 TYR A 102 10.310 -5.715 -3.435 1.00 0.00 H new ATOM 0 HE1 TYR A 102 7.577 -9.763 -4.022 1.00 0.00 H new ATOM 0 HE2 TYR A 102 10.913 -7.361 -5.157 1.00 0.00 H new ATOM 0 HH TYR A 102 8.805 -10.036 -5.975 1.00 0.00 H new ATOM 1012 N LEU A 103 6.147 -2.823 -1.384 1.00 0.00 N ATOM 1013 CA LEU A 103 5.921 -1.693 -0.493 1.00 0.00 C ATOM 1014 C LEU A 103 4.444 -1.325 -0.444 1.00 0.00 C ATOM 1015 O LEU A 103 3.859 -0.920 -1.449 1.00 0.00 O ATOM 1016 CB LEU A 103 6.743 -0.484 -0.941 1.00 0.00 C ATOM 1017 CG LEU A 103 8.257 -0.615 -0.751 1.00 0.00 C ATOM 1018 CD1 LEU A 103 8.605 -0.723 0.725 1.00 0.00 C ATOM 1019 CD2 LEU A 103 8.792 -1.817 -1.515 1.00 0.00 C ATOM 0 H LEU A 103 5.828 -2.679 -2.342 1.00 0.00 H new ATOM 0 HA LEU A 103 6.239 -1.987 0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.541 -0.299 -1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.399 0.392 -0.392 1.00 0.00 H new ATOM 0 HG LEU A 103 8.729 0.283 -1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.685 -0.815 0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.260 0.170 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.119 -1.601 1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.869 -1.892 -1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.311 -2.724 -1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.579 -1.697 -2.577 1.00 0.00 H new ATOM 1031 N THR A 104 3.848 -1.466 0.734 1.00 0.00 N ATOM 1032 CA THR A 104 2.437 -1.147 0.918 1.00 0.00 C ATOM 1033 C THR A 104 2.233 -0.313 2.178 1.00 0.00 C ATOM 1034 O THR A 104 2.716 -0.668 3.253 1.00 0.00 O ATOM 1035 CB THR A 104 1.607 -2.430 0.993 1.00 0.00 C ATOM 1036 OG1 THR A 104 0.238 -2.132 1.200 1.00 0.00 O ATOM 1037 CG2 THR A 104 2.046 -3.364 2.099 1.00 0.00 C ATOM 0 H THR A 104 4.319 -1.799 1.575 1.00 0.00 H new ATOM 0 HA THR A 104 2.104 -0.563 0.060 1.00 0.00 H new ATOM 0 HB THR A 104 1.762 -2.929 0.036 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.314 -2.753 0.681 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.416 -4.253 2.096 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.084 -3.654 1.939 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.955 -2.858 3.060 1.00 0.00 H new ATOM 1045 N VAL A 105 1.521 0.802 2.039 1.00 0.00 N ATOM 1046 CA VAL A 105 1.266 1.688 3.170 1.00 0.00 C ATOM 1047 C VAL A 105 -0.228 1.844 3.431 1.00 0.00 C ATOM 1048 O VAL A 105 -0.986 2.244 2.548 1.00 0.00 O ATOM 1049 CB VAL A 105 1.882 3.083 2.938 1.00 0.00 C ATOM 1050 CG1 VAL A 105 1.266 3.749 1.715 1.00 0.00 C ATOM 1051 CG2 VAL A 105 1.711 3.958 4.172 1.00 0.00 C ATOM 0 H VAL A 105 1.112 1.112 1.158 1.00 0.00 H new ATOM 0 HA VAL A 105 1.734 1.227 4.040 1.00 0.00 H new ATOM 0 HB VAL A 105 2.949 2.958 2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.715 4.731 1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.449 3.133 0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.192 3.860 1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.152 4.937 3.988 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.650 4.074 4.392 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.208 3.490 5.022 1.00 0.00 H new ATOM 1061 N ASN A 106 -0.642 1.534 4.656 1.00 0.00 N ATOM 1062 CA ASN A 106 -2.044 1.651 5.040 1.00 0.00 C ATOM 1063 C ASN A 106 -2.407 3.110 5.285 1.00 0.00 C ATOM 1064 O ASN A 106 -1.771 3.788 6.087 1.00 0.00 O ATOM 1065 CB ASN A 106 -2.337 0.819 6.291 1.00 0.00 C ATOM 1066 CG ASN A 106 -1.276 0.981 7.362 1.00 0.00 C ATOM 1067 OD1 ASN A 106 -1.102 2.063 7.922 1.00 0.00 O ATOM 1068 ND2 ASN A 106 -0.559 -0.099 7.649 1.00 0.00 N ATOM 0 H ASN A 106 -0.027 1.200 5.398 1.00 0.00 H new ATOM 0 HA ASN A 106 -2.653 1.268 4.221 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.306 1.110 6.698 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.411 -0.233 6.014 1.00 0.00 H new ATOM 0 HD21 ASN A 106 0.171 -0.052 8.360 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -0.738 -0.975 7.159 1.00 0.00 H new ATOM 1075 N LEU A 107 -3.423 3.589 4.580 1.00 0.00 N ATOM 1076 CA LEU A 107 -3.863 4.975 4.714 1.00 0.00 C ATOM 1077 C LEU A 107 -4.584 5.214 6.040 1.00 0.00 C ATOM 1078 O LEU A 107 -4.775 6.359 6.453 1.00 0.00 O ATOM 1079 CB LEU A 107 -4.777 5.351 3.547 1.00 0.00 C ATOM 1080 CG LEU A 107 -4.335 4.809 2.184 1.00 0.00 C ATOM 1081 CD1 LEU A 107 -5.438 3.972 1.555 1.00 0.00 C ATOM 1082 CD2 LEU A 107 -3.935 5.949 1.260 1.00 0.00 C ATOM 0 H LEU A 107 -3.960 3.040 3.909 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.975 5.607 4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.782 4.986 3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.838 6.438 3.488 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.466 4.169 2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.103 3.597 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.675 3.132 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.328 4.587 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.624 5.545 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.785 6.616 1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.109 6.504 1.704 1.00 0.00 H new ATOM 1094 N THR A 108 -4.995 4.135 6.699 1.00 0.00 N ATOM 1095 CA THR A 108 -5.710 4.236 7.968 1.00 0.00 C ATOM 1096 C THR A 108 -4.754 4.421 9.144 1.00 0.00 C ATOM 1097 O THR A 108 -5.078 5.107 10.114 1.00 0.00 O ATOM 1098 CB THR A 108 -6.572 2.991 8.183 1.00 0.00 C ATOM 1099 OG1 THR A 108 -6.760 2.301 6.962 1.00 0.00 O ATOM 1100 CG2 THR A 108 -7.939 3.301 8.753 1.00 0.00 C ATOM 0 H THR A 108 -4.845 3.179 6.375 1.00 0.00 H new ATOM 0 HA THR A 108 -6.349 5.118 7.920 1.00 0.00 H new ATOM 0 HB THR A 108 -6.028 2.380 8.904 1.00 0.00 H new ATOM 0 HG1 THR A 108 -7.312 1.506 7.117 1.00 0.00 H new ATOM 0 HG21 THR A 108 -8.499 2.374 8.881 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.827 3.794 9.719 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.477 3.959 8.070 1.00 0.00 H new ATOM 1108 N THR A 109 -3.581 3.804 9.061 1.00 0.00 N ATOM 1109 CA THR A 109 -2.590 3.902 10.131 1.00 0.00 C ATOM 1110 C THR A 109 -1.368 4.713 9.697 1.00 0.00 C ATOM 1111 O THR A 109 -0.528 5.070 10.522 1.00 0.00 O ATOM 1112 CB THR A 109 -2.157 2.505 10.581 1.00 0.00 C ATOM 1113 OG1 THR A 109 -3.086 1.527 10.151 1.00 0.00 O ATOM 1114 CG2 THR A 109 -2.018 2.378 12.082 1.00 0.00 C ATOM 0 H THR A 109 -3.292 3.232 8.268 1.00 0.00 H new ATOM 0 HA THR A 109 -3.058 4.423 10.967 1.00 0.00 H new ATOM 0 HB THR A 109 -1.179 2.346 10.126 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.789 0.641 10.448 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.709 1.364 12.334 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.269 3.085 12.439 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.976 2.594 12.556 1.00 0.00 H new ATOM 1122 N LEU A 110 -1.273 4.999 8.402 1.00 0.00 N ATOM 1123 CA LEU A 110 -0.153 5.766 7.867 1.00 0.00 C ATOM 1124 C LEU A 110 1.169 5.035 8.088 1.00 0.00 C ATOM 1125 O LEU A 110 2.216 5.662 8.250 1.00 0.00 O ATOM 1126 CB LEU A 110 -0.099 7.152 8.515 1.00 0.00 C ATOM 1127 CG LEU A 110 -0.913 8.233 7.803 1.00 0.00 C ATOM 1128 CD1 LEU A 110 -0.890 9.529 8.599 1.00 0.00 C ATOM 1129 CD2 LEU A 110 -0.381 8.461 6.395 1.00 0.00 C ATOM 0 H LEU A 110 -1.958 4.711 7.704 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.306 5.880 6.794 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.454 7.070 9.542 1.00 0.00 H new ATOM 0 HB3 LEU A 110 0.941 7.474 8.562 1.00 0.00 H new ATOM 0 HG LEU A 110 -1.946 7.893 7.729 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.474 10.287 8.077 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.318 9.357 9.587 1.00 0.00 H new ATOM 0 HD13 LEU A 110 0.139 9.873 8.704 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.972 9.233 5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 110 0.660 8.779 6.447 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.450 7.534 5.826 1.00 0.00 H new ATOM 1141 N ARG A 111 1.115 3.706 8.091 1.00 0.00 N ATOM 1142 CA ARG A 111 2.311 2.894 8.290 1.00 0.00 C ATOM 1143 C ARG A 111 2.642 2.095 7.031 1.00 0.00 C ATOM 1144 O ARG A 111 1.752 1.553 6.375 1.00 0.00 O ATOM 1145 CB ARG A 111 2.121 1.947 9.476 1.00 0.00 C ATOM 1146 CG ARG A 111 1.663 2.647 10.747 1.00 0.00 C ATOM 1147 CD ARG A 111 1.732 1.723 11.952 1.00 0.00 C ATOM 1148 NE ARG A 111 2.681 2.204 12.956 1.00 0.00 N ATOM 1149 CZ ARG A 111 3.060 1.494 14.018 1.00 0.00 C ATOM 1150 NH1 ARG A 111 2.577 0.274 14.214 1.00 0.00 N ATOM 1151 NH2 ARG A 111 3.924 2.007 14.882 1.00 0.00 N ATOM 0 H ARG A 111 0.258 3.170 7.958 1.00 0.00 H new ATOM 0 HA ARG A 111 3.144 3.565 8.502 1.00 0.00 H new ATOM 0 HB2 ARG A 111 1.390 1.184 9.208 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.061 1.432 9.673 1.00 0.00 H new ATOM 0 HG2 ARG A 111 2.286 3.524 10.924 1.00 0.00 H new ATOM 0 HG3 ARG A 111 0.641 3.003 10.619 1.00 0.00 H new ATOM 0 HD2 ARG A 111 0.742 1.637 12.400 1.00 0.00 H new ATOM 0 HD3 ARG A 111 2.023 0.724 11.627 1.00 0.00 H new ATOM 0 HE ARG A 111 3.075 3.137 12.836 1.00 0.00 H new ATOM 0 HH11 ARG A 111 1.913 -0.124 13.550 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.870 -0.266 15.028 1.00 0.00 H new ATOM 0 HH21 ARG A 111 4.298 2.944 14.734 1.00 0.00 H new ATOM 0 HH22 ARG A 111 4.215 1.465 15.695 1.00 0.00 H new ATOM 1165 N VAL A 112 3.929 2.029 6.698 1.00 0.00 N ATOM 1166 CA VAL A 112 4.379 1.300 5.516 1.00 0.00 C ATOM 1167 C VAL A 112 4.905 -0.083 5.885 1.00 0.00 C ATOM 1168 O VAL A 112 5.425 -0.288 6.982 1.00 0.00 O ATOM 1169 CB VAL A 112 5.483 2.070 4.767 1.00 0.00 C ATOM 1170 CG1 VAL A 112 5.806 1.392 3.445 1.00 0.00 C ATOM 1171 CG2 VAL A 112 5.073 3.520 4.544 1.00 0.00 C ATOM 0 H VAL A 112 4.678 2.472 7.230 1.00 0.00 H new ATOM 0 HA VAL A 112 3.511 1.194 4.865 1.00 0.00 H new ATOM 0 HB VAL A 112 6.382 2.063 5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.588 1.951 2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 112 6.150 0.375 3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 112 4.912 1.363 2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 112 5.867 4.045 4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.158 3.553 3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 112 4.900 4.001 5.507 1.00 0.00 H new ATOM 1181 N TRP A 113 4.765 -1.030 4.961 1.00 0.00 N ATOM 1182 CA TRP A 113 5.227 -2.395 5.189 1.00 0.00 C ATOM 1183 C TRP A 113 6.094 -2.883 4.029 1.00 0.00 C ATOM 1184 O TRP A 113 5.794 -2.624 2.861 1.00 0.00 O ATOM 1185 CB TRP A 113 4.034 -3.335 5.383 1.00 0.00 C ATOM 1186 CG TRP A 113 4.427 -4.771 5.561 1.00 0.00 C ATOM 1187 CD1 TRP A 113 4.430 -5.744 4.603 1.00 0.00 C ATOM 1188 CD2 TRP A 113 4.874 -5.395 6.770 1.00 0.00 C ATOM 1189 NE1 TRP A 113 4.852 -6.934 5.142 1.00 0.00 N ATOM 1190 CE2 TRP A 113 5.131 -6.746 6.471 1.00 0.00 C ATOM 1191 CE3 TRP A 113 5.084 -4.942 8.074 1.00 0.00 C ATOM 1192 CZ2 TRP A 113 5.586 -7.647 7.430 1.00 0.00 C ATOM 1193 CZ3 TRP A 113 5.535 -5.838 9.027 1.00 0.00 C ATOM 1194 CH2 TRP A 113 5.782 -7.177 8.700 1.00 0.00 C ATOM 0 H TRP A 113 4.336 -0.877 4.048 1.00 0.00 H new ATOM 0 HA TRP A 113 5.834 -2.398 6.094 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.465 -3.012 6.254 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.372 -3.252 4.521 1.00 0.00 H new ATOM 0 HD1 TRP A 113 4.142 -5.599 3.572 1.00 0.00 H new ATOM 0 HE1 TRP A 113 4.943 -7.815 4.636 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.898 -3.910 8.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.777 -8.680 7.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.699 -5.499 10.039 1.00 0.00 H new ATOM 0 HH2 TRP A 113 6.134 -7.852 9.466 1.00 0.00 H new ATOM 1205 N CYS A 114 7.169 -3.592 4.368 1.00 0.00 N ATOM 1206 CA CYS A 114 8.095 -4.127 3.372 1.00 0.00 C ATOM 1207 C CYS A 114 7.996 -5.650 3.307 1.00 0.00 C ATOM 1208 O CYS A 114 8.415 -6.348 4.232 1.00 0.00 O ATOM 1209 CB CYS A 114 9.527 -3.712 3.712 1.00 0.00 C ATOM 1210 SG CYS A 114 10.708 -3.956 2.365 1.00 0.00 S ATOM 0 H CYS A 114 7.421 -3.810 5.332 1.00 0.00 H new ATOM 0 HA CYS A 114 7.826 -3.720 2.397 1.00 0.00 H new ATOM 0 HB2 CYS A 114 9.531 -2.660 3.997 1.00 0.00 H new ATOM 0 HB3 CYS A 114 9.861 -4.279 4.581 1.00 0.00 H new ATOM 0 HG CYS A 114 11.638 -3.050 2.434 1.00 0.00 H new ATOM 1215 N TYR A 115 7.433 -6.158 2.211 1.00 0.00 N ATOM 1216 CA TYR A 115 7.273 -7.599 2.027 1.00 0.00 C ATOM 1217 C TYR A 115 8.617 -8.293 1.817 1.00 0.00 C ATOM 1218 O TYR A 115 8.855 -9.377 2.350 1.00 0.00 O ATOM 1219 CB TYR A 115 6.357 -7.887 0.834 1.00 0.00 C ATOM 1220 CG TYR A 115 4.885 -7.721 1.138 1.00 0.00 C ATOM 1221 CD1 TYR A 115 4.247 -8.552 2.049 1.00 0.00 C ATOM 1222 CD2 TYR A 115 4.134 -6.734 0.511 1.00 0.00 C ATOM 1223 CE1 TYR A 115 2.900 -8.406 2.326 1.00 0.00 C ATOM 1224 CE2 TYR A 115 2.788 -6.581 0.784 1.00 0.00 C ATOM 1225 CZ TYR A 115 2.176 -7.419 1.691 1.00 0.00 C ATOM 1226 OH TYR A 115 0.836 -7.272 1.964 1.00 0.00 O ATOM 0 H TYR A 115 7.081 -5.593 1.438 1.00 0.00 H new ATOM 0 HA TYR A 115 6.822 -7.994 2.937 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.626 -7.222 0.013 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.534 -8.906 0.490 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.812 -9.325 2.549 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.610 -6.076 -0.201 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.418 -9.062 3.036 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.218 -5.808 0.289 1.00 0.00 H new ATOM 0 HH TYR A 115 0.385 -8.136 1.864 1.00 0.00 H new ATOM 1236 N ALA A 116 9.488 -7.669 1.029 1.00 0.00 N ATOM 1237 CA ALA A 116 10.801 -8.236 0.743 1.00 0.00 C ATOM 1238 C ALA A 116 11.603 -8.428 2.023 1.00 0.00 C ATOM 1239 O ALA A 116 12.103 -9.518 2.297 1.00 0.00 O ATOM 1240 CB ALA A 116 11.558 -7.348 -0.231 1.00 0.00 C ATOM 0 H ALA A 116 9.308 -6.772 0.578 1.00 0.00 H new ATOM 0 HA ALA A 116 10.657 -9.215 0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.536 -7.783 -0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 116 10.996 -7.266 -1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.686 -6.357 0.204 1.00 0.00 H new ATOM 1246 N CYS A 117 11.716 -7.364 2.806 1.00 0.00 N ATOM 1247 CA CYS A 117 12.449 -7.415 4.062 1.00 0.00 C ATOM 1248 C CYS A 117 11.692 -8.250 5.089 1.00 0.00 C ATOM 1249 O CYS A 117 12.294 -8.874 5.963 1.00 0.00 O ATOM 1250 CB CYS A 117 12.684 -6.004 4.602 1.00 0.00 C ATOM 1251 SG CYS A 117 14.149 -5.191 3.925 1.00 0.00 S ATOM 0 H CYS A 117 11.308 -6.454 2.592 1.00 0.00 H new ATOM 0 HA CYS A 117 13.415 -7.883 3.875 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.809 -5.392 4.384 1.00 0.00 H new ATOM 0 HB3 CYS A 117 12.777 -6.052 5.687 1.00 0.00 H new ATOM 0 HG CYS A 117 13.801 -4.079 3.349 1.00 0.00 H new ATOM 1256 N SER A 118 10.365 -8.250 4.976 1.00 0.00 N ATOM 1257 CA SER A 118 9.509 -9.001 5.891 1.00 0.00 C ATOM 1258 C SER A 118 9.383 -8.273 7.225 1.00 0.00 C ATOM 1259 O SER A 118 9.595 -8.857 8.288 1.00 0.00 O ATOM 1260 CB SER A 118 10.055 -10.416 6.111 1.00 0.00 C ATOM 1261 OG SER A 118 9.008 -11.371 6.116 1.00 0.00 O ATOM 0 H SER A 118 9.858 -7.735 4.256 1.00 0.00 H new ATOM 0 HA SER A 118 8.520 -9.079 5.440 1.00 0.00 H new ATOM 0 HB2 SER A 118 10.770 -10.660 5.325 1.00 0.00 H new ATOM 0 HB3 SER A 118 10.595 -10.458 7.057 1.00 0.00 H new ATOM 0 HG SER A 118 9.382 -12.266 6.256 1.00 0.00 H new ATOM 1267 N LYS A 119 9.036 -6.992 7.159 1.00 0.00 N ATOM 1268 CA LYS A 119 8.882 -6.181 8.360 1.00 0.00 C ATOM 1269 C LYS A 119 8.266 -4.827 8.030 1.00 0.00 C ATOM 1270 O LYS A 119 7.927 -4.551 6.879 1.00 0.00 O ATOM 1271 CB LYS A 119 10.238 -5.985 9.043 1.00 0.00 C ATOM 1272 CG LYS A 119 11.337 -5.534 8.093 1.00 0.00 C ATOM 1273 CD LYS A 119 11.554 -4.030 8.166 1.00 0.00 C ATOM 1274 CE LYS A 119 13.033 -3.682 8.210 1.00 0.00 C ATOM 1275 NZ LYS A 119 13.519 -3.493 9.605 1.00 0.00 N ATOM 0 H LYS A 119 8.856 -6.494 6.287 1.00 0.00 H new ATOM 0 HA LYS A 119 8.211 -6.707 9.039 1.00 0.00 H new ATOM 0 HB2 LYS A 119 10.132 -5.248 9.839 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.537 -6.921 9.514 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.266 -6.049 8.339 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.076 -5.816 7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 119 11.092 -3.552 7.302 1.00 0.00 H new ATOM 0 HD3 LYS A 119 11.059 -3.633 9.052 1.00 0.00 H new ATOM 0 HE2 LYS A 119 13.607 -4.475 7.730 1.00 0.00 H new ATOM 0 HE3 LYS A 119 13.209 -2.771 7.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 14.532 -3.257 9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 12.990 -2.719 10.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 13.375 -4.370 10.144 1.00 0.00 H new ATOM 1289 N GLU A 120 8.119 -3.985 9.048 1.00 0.00 N ATOM 1290 CA GLU A 120 7.541 -2.659 8.867 1.00 0.00 C ATOM 1291 C GLU A 120 8.630 -1.618 8.633 1.00 0.00 C ATOM 1292 O GLU A 120 9.718 -1.702 9.203 1.00 0.00 O ATOM 1293 CB GLU A 120 6.707 -2.274 10.090 1.00 0.00 C ATOM 1294 CG GLU A 120 5.685 -1.185 9.810 1.00 0.00 C ATOM 1295 CD GLU A 120 5.240 -0.466 11.068 1.00 0.00 C ATOM 1296 OE1 GLU A 120 4.108 0.061 11.082 1.00 0.00 O ATOM 1297 OE2 GLU A 120 6.024 -0.431 12.041 1.00 0.00 O ATOM 0 H GLU A 120 8.393 -4.198 10.007 1.00 0.00 H new ATOM 0 HA GLU A 120 6.896 -2.687 7.989 1.00 0.00 H new ATOM 0 HB2 GLU A 120 6.190 -3.159 10.460 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.374 -1.939 10.884 1.00 0.00 H new ATOM 0 HG2 GLU A 120 6.111 -0.462 9.114 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.816 -1.625 9.320 1.00 0.00 H new ATOM 1304 N VAL A 121 8.328 -0.633 7.793 1.00 0.00 N ATOM 1305 CA VAL A 121 9.279 0.427 7.484 1.00 0.00 C ATOM 1306 C VAL A 121 8.594 1.789 7.477 1.00 0.00 C ATOM 1307 O VAL A 121 7.371 1.879 7.368 1.00 0.00 O ATOM 1308 CB VAL A 121 9.954 0.197 6.120 1.00 0.00 C ATOM 1309 CG1 VAL A 121 10.931 -0.965 6.196 1.00 0.00 C ATOM 1310 CG2 VAL A 121 8.909 -0.045 5.042 1.00 0.00 C ATOM 0 H VAL A 121 7.431 -0.548 7.314 1.00 0.00 H new ATOM 0 HA VAL A 121 10.041 0.408 8.263 1.00 0.00 H new ATOM 0 HB VAL A 121 10.514 1.094 5.856 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.398 -1.112 5.222 1.00 0.00 H new ATOM 0 HG12 VAL A 121 11.699 -0.746 6.938 1.00 0.00 H new ATOM 0 HG13 VAL A 121 10.397 -1.871 6.483 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.404 -0.206 4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.320 -0.925 5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.253 0.822 4.970 1.00 0.00 H new ATOM 1320 N PHE A 122 9.389 2.848 7.594 1.00 0.00 N ATOM 1321 CA PHE A 122 8.857 4.206 7.601 1.00 0.00 C ATOM 1322 C PHE A 122 9.496 5.047 6.500 1.00 0.00 C ATOM 1323 O PHE A 122 10.720 5.107 6.384 1.00 0.00 O ATOM 1324 CB PHE A 122 9.093 4.860 8.963 1.00 0.00 C ATOM 1325 CG PHE A 122 10.542 4.921 9.354 1.00 0.00 C ATOM 1326 CD1 PHE A 122 11.160 3.832 9.944 1.00 0.00 C ATOM 1327 CD2 PHE A 122 11.285 6.069 9.130 1.00 0.00 C ATOM 1328 CE1 PHE A 122 12.493 3.885 10.304 1.00 0.00 C ATOM 1329 CE2 PHE A 122 12.619 6.129 9.489 1.00 0.00 C ATOM 1330 CZ PHE A 122 13.223 5.035 10.077 1.00 0.00 C ATOM 0 H PHE A 122 10.403 2.792 7.685 1.00 0.00 H new ATOM 0 HA PHE A 122 7.785 4.151 7.413 1.00 0.00 H new ATOM 0 HB2 PHE A 122 8.686 5.871 8.947 1.00 0.00 H new ATOM 0 HB3 PHE A 122 8.542 4.306 9.724 1.00 0.00 H new ATOM 0 HD1 PHE A 122 10.594 2.930 10.125 1.00 0.00 H new ATOM 0 HD2 PHE A 122 10.817 6.927 8.670 1.00 0.00 H new ATOM 0 HE1 PHE A 122 12.964 3.028 10.762 1.00 0.00 H new ATOM 0 HE2 PHE A 122 13.187 7.030 9.310 1.00 0.00 H new ATOM 0 HZ PHE A 122 14.265 5.079 10.359 1.00 0.00 H new