USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 566 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 71 TYR OH : rot -175:sc= -0.0789 USER MOD Set 1.2: A 80 HIS : no HE2:sc= -3.03! C(o=-6.3!,f=-18!) USER MOD Set 1.3: A 85 HIS : no HD1:sc= -3.23! C(o=-6.3!,f=-19!) USER MOD Set 2.1: A 78 GLN : amide:sc= -12.3! C(o=-30!,f=-17!) USER MOD Set 2.2: A 82 ASN : amide:sc= -13.7! C(o=-30!,f=-17!) USER MOD Set 2.3: A 83 HIS : no HD1:sc= -4.18! C(o=-30!,f=-17!) USER MOD Set 3.1: A 54 THR OG1 : rot 70:sc= 0.738 USER MOD Set 3.2: A 57 SER OG : rot 74:sc= 1.37 USER MOD Set 4.1: A 20 CYS SG : rot -142:sc= -5.38! USER MOD Set 4.2: A 22 HIS : no HE2:sc= -5.74! C(o=-12!,f=-36!) USER MOD Set 4.3: A 40 CYS SG : rot 18:sc= -0.646 USER MOD Set 4.4: A 43 CYS SG : rot 100:sc= -0.713! USER MOD Set 5.1: A 6 LYS NZ :NH3+ 149:sc= 0.233 (180deg=-0.137) USER MOD Set 5.2: A 32 HIS : no HE2:sc= -0.294 K(o=-0.061,f=-2.2) USER MOD Set 6.1: A 4 CYS SG : rot 48:sc= -2.44! USER MOD Set 6.2: A 7 CYS SG : rot 174:sc= -3.3! USER MOD Set 6.3: A 25 CYS SG : rot -141:sc= -6.99! USER MOD Set 6.4: A 28 CYS SG : rot 110:sc= -0.142! USER MOD Single : A 12 LYS NZ :NH3+ -132:sc= -0.834 (180deg=-2.45!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -133:sc= -0.941 (180deg=-4.35!) USER MOD Single : A 21 LYS NZ :NH3+ -120:sc= -0.142 (180deg=-0.665) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 164:sc= -0.0227 (180deg=-0.456) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -44:sc= 0.975 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 CYS SG : rot 40:sc= 0.00479 USER MOD Single : A 60 MET CE :methyl -156:sc= -0.28 (180deg=-1.47!) USER MOD Single : A 61 CYS SG : rot 171:sc= 0 USER MOD Single : A 70 THR OG1 : rot 69:sc= 0.367 USER MOD Single : A 73 SER OG : rot 17:sc= 0.457 USER MOD Single : A 74 GLN : amide:sc= -4.44 K(o=-4.4,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 37 N PHE A 3 -13.598 -9.536 3.944 1.00 0.00 N ATOM 38 CA PHE A 3 -13.205 -10.599 2.975 1.00 0.00 C ATOM 39 C PHE A 3 -12.320 -10.004 1.875 1.00 0.00 C ATOM 40 O PHE A 3 -12.703 -9.066 1.203 1.00 0.00 O ATOM 41 CB PHE A 3 -14.464 -11.198 2.344 1.00 0.00 C ATOM 42 CG PHE A 3 -15.570 -11.241 3.370 1.00 0.00 C ATOM 43 CD1 PHE A 3 -15.547 -12.205 4.385 1.00 0.00 C ATOM 44 CD2 PHE A 3 -16.620 -10.316 3.308 1.00 0.00 C ATOM 45 CE1 PHE A 3 -16.572 -12.244 5.337 1.00 0.00 C ATOM 46 CE2 PHE A 3 -17.645 -10.355 4.260 1.00 0.00 C ATOM 47 CZ PHE A 3 -17.622 -11.319 5.275 1.00 0.00 C ATOM 0 HA PHE A 3 -12.649 -11.375 3.500 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -14.773 -10.601 1.486 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -14.256 -12.203 1.975 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -14.738 -12.919 4.433 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -16.639 -9.572 2.525 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -16.553 -12.988 6.120 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -18.454 -9.641 4.212 1.00 0.00 H new ATOM 0 HZ PHE A 3 -18.413 -11.349 6.010 1.00 0.00 H new ATOM 57 N CYS A 4 -11.140 -10.543 1.685 1.00 0.00 N ATOM 58 CA CYS A 4 -10.236 -10.010 0.627 1.00 0.00 C ATOM 59 C CYS A 4 -11.044 -9.812 -0.652 1.00 0.00 C ATOM 60 O CYS A 4 -11.955 -10.560 -0.941 1.00 0.00 O ATOM 61 CB CYS A 4 -9.102 -11.005 0.345 1.00 0.00 C ATOM 62 SG CYS A 4 -8.489 -11.720 1.891 1.00 0.00 S ATOM 0 H CYS A 4 -10.767 -11.328 2.218 1.00 0.00 H new ATOM 0 HA CYS A 4 -9.808 -9.066 0.963 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -9.460 -11.797 -0.312 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -8.289 -10.501 -0.177 1.00 0.00 H new ATOM 0 HG CYS A 4 -9.494 -12.117 2.614 1.00 0.00 H new ATOM 67 N ASP A 5 -10.726 -8.814 -1.424 1.00 0.00 N ATOM 68 CA ASP A 5 -11.489 -8.588 -2.676 1.00 0.00 C ATOM 69 C ASP A 5 -10.944 -9.503 -3.772 1.00 0.00 C ATOM 70 O ASP A 5 -11.647 -9.855 -4.699 1.00 0.00 O ATOM 71 CB ASP A 5 -11.349 -7.127 -3.107 1.00 0.00 C ATOM 72 CG ASP A 5 -10.873 -6.288 -1.919 1.00 0.00 C ATOM 73 OD1 ASP A 5 -11.328 -6.545 -0.817 1.00 0.00 O ATOM 74 OD2 ASP A 5 -10.062 -5.402 -2.132 1.00 0.00 O ATOM 0 H ASP A 5 -9.974 -8.149 -1.242 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.542 -8.811 -2.506 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.640 -7.046 -3.931 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -12.305 -6.751 -3.472 1.00 0.00 H new ATOM 79 N LYS A 6 -9.694 -9.884 -3.682 1.00 0.00 N ATOM 80 CA LYS A 6 -9.111 -10.766 -4.731 1.00 0.00 C ATOM 81 C LYS A 6 -9.166 -12.234 -4.292 1.00 0.00 C ATOM 82 O LYS A 6 -9.313 -13.120 -5.111 1.00 0.00 O ATOM 83 CB LYS A 6 -7.658 -10.348 -4.981 1.00 0.00 C ATOM 84 CG LYS A 6 -6.930 -11.414 -5.809 1.00 0.00 C ATOM 85 CD LYS A 6 -6.108 -12.329 -4.892 1.00 0.00 C ATOM 86 CE LYS A 6 -5.942 -13.698 -5.553 1.00 0.00 C ATOM 87 NZ LYS A 6 -5.232 -13.540 -6.853 1.00 0.00 N ATOM 0 H LYS A 6 -9.057 -9.622 -2.930 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.689 -10.663 -5.649 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.633 -9.392 -5.504 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.145 -10.204 -4.030 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.653 -12.005 -6.371 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.276 -10.935 -6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.131 -11.886 -4.699 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.605 -12.437 -3.928 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.380 -14.364 -4.898 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.918 -14.157 -5.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.669 -14.392 -7.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.928 -13.404 -7.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.603 -12.713 -6.807 1.00 0.00 H new ATOM 101 N CYS A 7 -9.033 -12.502 -3.018 1.00 0.00 N ATOM 102 CA CYS A 7 -9.057 -13.918 -2.542 1.00 0.00 C ATOM 103 C CYS A 7 -10.397 -14.246 -1.875 1.00 0.00 C ATOM 104 O CYS A 7 -10.809 -15.388 -1.834 1.00 0.00 O ATOM 105 CB CYS A 7 -7.928 -14.134 -1.536 1.00 0.00 C ATOM 106 SG CYS A 7 -7.032 -12.581 -1.290 1.00 0.00 S ATOM 0 H CYS A 7 -8.909 -11.802 -2.287 1.00 0.00 H new ATOM 0 HA CYS A 7 -8.925 -14.575 -3.402 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.334 -14.486 -0.588 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.248 -14.905 -1.897 1.00 0.00 H new ATOM 0 HG CYS A 7 -6.156 -12.731 -0.341 1.00 0.00 H new ATOM 111 N GLY A 8 -11.083 -13.268 -1.353 1.00 0.00 N ATOM 112 CA GLY A 8 -12.393 -13.554 -0.697 1.00 0.00 C ATOM 113 C GLY A 8 -12.170 -14.089 0.725 1.00 0.00 C ATOM 114 O GLY A 8 -13.100 -14.226 1.494 1.00 0.00 O ATOM 0 H GLY A 8 -10.797 -12.289 -1.351 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.996 -12.646 -0.661 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.950 -14.284 -1.284 1.00 0.00 H new ATOM 118 N LEU A 9 -10.950 -14.390 1.084 1.00 0.00 N ATOM 119 CA LEU A 9 -10.683 -14.911 2.460 1.00 0.00 C ATOM 120 C LEU A 9 -10.815 -13.758 3.459 1.00 0.00 C ATOM 121 O LEU A 9 -10.715 -12.612 3.091 1.00 0.00 O ATOM 122 CB LEU A 9 -9.263 -15.481 2.517 1.00 0.00 C ATOM 123 CG LEU A 9 -9.315 -17.005 2.394 1.00 0.00 C ATOM 124 CD1 LEU A 9 -9.977 -17.391 1.069 1.00 0.00 C ATOM 125 CD2 LEU A 9 -7.892 -17.567 2.433 1.00 0.00 C ATOM 0 H LEU A 9 -10.128 -14.299 0.487 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.397 -15.696 2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.660 -15.062 1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.784 -15.198 3.455 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.894 -17.415 3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.013 -18.477 0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.990 -16.991 1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.400 -16.981 0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.927 -18.653 2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.315 -17.155 1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.419 -17.294 3.376 1.00 0.00 H new ATOM 137 N PRO A 10 -11.046 -14.048 4.713 1.00 0.00 N ATOM 138 CA PRO A 10 -11.197 -12.989 5.748 1.00 0.00 C ATOM 139 C PRO A 10 -9.894 -12.237 6.024 1.00 0.00 C ATOM 140 O PRO A 10 -8.995 -12.724 6.679 1.00 0.00 O ATOM 141 CB PRO A 10 -11.669 -13.733 6.988 1.00 0.00 C ATOM 142 CG PRO A 10 -11.250 -15.155 6.792 1.00 0.00 C ATOM 143 CD PRO A 10 -11.188 -15.397 5.281 1.00 0.00 C ATOM 0 HA PRO A 10 -11.896 -12.219 5.422 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.222 -13.314 7.890 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.750 -13.656 7.103 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.279 -15.338 7.252 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.960 -15.835 7.263 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.345 -16.034 5.013 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.089 -15.891 4.918 1.00 0.00 H new ATOM 151 N ILE A 11 -9.808 -11.044 5.517 1.00 0.00 N ATOM 152 CA ILE A 11 -8.595 -10.200 5.711 1.00 0.00 C ATOM 153 C ILE A 11 -8.229 -10.133 7.194 1.00 0.00 C ATOM 154 O ILE A 11 -8.997 -9.674 8.016 1.00 0.00 O ATOM 155 CB ILE A 11 -8.898 -8.791 5.191 1.00 0.00 C ATOM 156 CG1 ILE A 11 -9.178 -8.858 3.690 1.00 0.00 C ATOM 157 CG2 ILE A 11 -7.704 -7.873 5.437 1.00 0.00 C ATOM 158 CD1 ILE A 11 -9.859 -7.564 3.242 1.00 0.00 C ATOM 0 H ILE A 11 -10.543 -10.605 4.963 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.755 -10.632 5.167 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.768 -8.396 5.716 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.247 -9.001 3.141 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.815 -9.714 3.466 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.930 -6.874 5.064 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.498 -7.823 6.506 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.830 -8.266 4.917 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.059 -7.610 2.172 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.798 -7.441 3.782 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.206 -6.717 3.453 1.00 0.00 H new ATOM 170 N LYS A 12 -7.050 -10.576 7.537 1.00 0.00 N ATOM 171 CA LYS A 12 -6.619 -10.525 8.960 1.00 0.00 C ATOM 172 C LYS A 12 -5.957 -9.173 9.221 1.00 0.00 C ATOM 173 O LYS A 12 -5.962 -8.670 10.328 1.00 0.00 O ATOM 174 CB LYS A 12 -5.618 -11.649 9.237 1.00 0.00 C ATOM 175 CG LYS A 12 -5.145 -11.564 10.690 1.00 0.00 C ATOM 176 CD LYS A 12 -4.892 -12.973 11.230 1.00 0.00 C ATOM 177 CE LYS A 12 -3.834 -13.669 10.372 1.00 0.00 C ATOM 178 NZ LYS A 12 -4.505 -14.491 9.326 1.00 0.00 N ATOM 0 H LYS A 12 -6.367 -10.971 6.891 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.482 -10.651 9.614 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.082 -12.618 9.050 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.767 -11.567 8.561 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.233 -10.971 10.752 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.896 -11.060 11.299 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.558 -12.922 12.266 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.818 -13.548 11.221 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.184 -12.929 9.906 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.202 -14.301 10.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.083 -15.442 9.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.520 -14.566 9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.381 -14.040 8.397 1.00 0.00 H new ATOM 192 N VAL A 13 -5.395 -8.580 8.199 1.00 0.00 N ATOM 193 CA VAL A 13 -4.737 -7.257 8.357 1.00 0.00 C ATOM 194 C VAL A 13 -5.132 -6.376 7.176 1.00 0.00 C ATOM 195 O VAL A 13 -5.294 -6.844 6.070 1.00 0.00 O ATOM 196 CB VAL A 13 -3.228 -7.436 8.363 1.00 0.00 C ATOM 197 CG1 VAL A 13 -2.583 -6.335 9.208 1.00 0.00 C ATOM 198 CG2 VAL A 13 -2.876 -8.805 8.949 1.00 0.00 C ATOM 0 H VAL A 13 -5.366 -8.963 7.254 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.049 -6.797 9.295 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.853 -7.373 7.341 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.501 -6.465 9.211 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.830 -5.361 8.786 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.958 -6.394 10.230 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.793 -8.932 8.953 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.253 -8.872 9.970 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.331 -9.588 8.343 1.00 0.00 H new ATOM 208 N TYR A 14 -5.297 -5.109 7.391 1.00 0.00 N ATOM 209 CA TYR A 14 -5.703 -4.228 6.268 1.00 0.00 C ATOM 210 C TYR A 14 -4.495 -3.863 5.414 1.00 0.00 C ATOM 211 O TYR A 14 -3.729 -2.976 5.737 1.00 0.00 O ATOM 212 CB TYR A 14 -6.333 -2.959 6.820 1.00 0.00 C ATOM 213 CG TYR A 14 -7.821 -3.162 7.053 1.00 0.00 C ATOM 214 CD1 TYR A 14 -8.332 -4.420 7.424 1.00 0.00 C ATOM 215 CD2 TYR A 14 -8.693 -2.080 6.896 1.00 0.00 C ATOM 216 CE1 TYR A 14 -9.707 -4.582 7.632 1.00 0.00 C ATOM 217 CE2 TYR A 14 -10.067 -2.245 7.104 1.00 0.00 C ATOM 218 CZ TYR A 14 -10.575 -3.496 7.471 1.00 0.00 C ATOM 219 OH TYR A 14 -11.930 -3.658 7.676 1.00 0.00 O ATOM 0 H TYR A 14 -5.170 -4.644 8.290 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.425 -4.760 5.649 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.847 -2.682 7.755 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.177 -2.135 6.123 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.664 -5.260 7.548 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.304 -1.113 6.613 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -10.099 -5.547 7.917 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.736 -1.406 6.981 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.388 -2.805 7.524 1.00 0.00 H new ATOM 229 N GLY A 15 -4.340 -4.533 4.312 1.00 0.00 N ATOM 230 CA GLY A 15 -3.211 -4.231 3.400 1.00 0.00 C ATOM 231 C GLY A 15 -3.597 -3.026 2.556 1.00 0.00 C ATOM 232 O GLY A 15 -4.261 -3.148 1.547 1.00 0.00 O ATOM 0 H GLY A 15 -4.955 -5.285 4.001 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.306 -4.022 3.970 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.996 -5.089 2.763 1.00 0.00 H new ATOM 236 N ARG A 16 -3.198 -1.866 2.982 1.00 0.00 N ATOM 237 CA ARG A 16 -3.548 -0.620 2.239 1.00 0.00 C ATOM 238 C ARG A 16 -2.602 -0.429 1.057 1.00 0.00 C ATOM 239 O ARG A 16 -1.410 -0.629 1.168 1.00 0.00 O ATOM 240 CB ARG A 16 -3.424 0.570 3.189 1.00 0.00 C ATOM 241 CG ARG A 16 -3.538 1.872 2.402 1.00 0.00 C ATOM 242 CD ARG A 16 -4.319 2.889 3.228 1.00 0.00 C ATOM 243 NE ARG A 16 -4.348 4.189 2.510 1.00 0.00 N ATOM 244 CZ ARG A 16 -3.391 5.063 2.689 1.00 0.00 C ATOM 245 NH1 ARG A 16 -2.377 4.779 3.462 1.00 0.00 N ATOM 246 NH2 ARG A 16 -3.442 6.219 2.087 1.00 0.00 N ATOM 0 H ARG A 16 -2.638 -1.721 3.822 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.568 -0.695 1.863 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.204 0.524 3.949 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.468 0.532 3.711 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.546 2.259 2.170 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.041 1.694 1.452 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.335 2.532 3.399 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.856 3.012 4.207 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.117 4.401 1.875 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.329 3.873 3.929 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.633 5.463 3.599 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.228 6.442 1.476 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.696 6.900 2.227 1.00 0.00 H new ATOM 260 N MET A 17 -3.139 -0.045 -0.074 1.00 0.00 N ATOM 261 CA MET A 17 -2.296 0.162 -1.285 1.00 0.00 C ATOM 262 C MET A 17 -2.442 1.593 -1.791 1.00 0.00 C ATOM 263 O MET A 17 -3.541 2.110 -1.913 1.00 0.00 O ATOM 264 CB MET A 17 -2.749 -0.781 -2.392 1.00 0.00 C ATOM 265 CG MET A 17 -3.266 -2.076 -1.776 1.00 0.00 C ATOM 266 SD MET A 17 -3.599 -3.272 -3.089 1.00 0.00 S ATOM 267 CE MET A 17 -1.899 -3.812 -3.401 1.00 0.00 C ATOM 0 H MET A 17 -4.134 0.135 -0.208 1.00 0.00 H new ATOM 0 HA MET A 17 -1.257 -0.033 -1.019 1.00 0.00 H new ATOM 0 HB2 MET A 17 -3.532 -0.311 -2.987 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.919 -0.992 -3.067 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.531 -2.479 -1.079 1.00 0.00 H new ATOM 0 HG3 MET A 17 -4.174 -1.883 -1.205 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.709 -3.815 -4.474 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.205 -3.129 -2.912 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.758 -4.818 -3.005 1.00 0.00 H new ATOM 277 N ILE A 18 -1.335 2.218 -2.105 1.00 0.00 N ATOM 278 CA ILE A 18 -1.364 3.611 -2.629 1.00 0.00 C ATOM 279 C ILE A 18 -0.862 3.607 -4.082 1.00 0.00 C ATOM 280 O ILE A 18 -0.131 2.721 -4.474 1.00 0.00 O ATOM 281 CB ILE A 18 -0.443 4.494 -1.784 1.00 0.00 C ATOM 282 CG1 ILE A 18 0.622 3.636 -1.111 1.00 0.00 C ATOM 283 CG2 ILE A 18 -1.258 5.207 -0.705 1.00 0.00 C ATOM 284 CD1 ILE A 18 1.627 4.537 -0.388 1.00 0.00 C ATOM 0 H ILE A 18 -0.402 1.814 -2.018 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.382 3.999 -2.585 1.00 0.00 H new ATOM 0 HB ILE A 18 0.033 5.229 -2.433 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.157 2.951 -0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.135 3.026 -1.854 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.598 5.834 -0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.020 5.828 -1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.737 4.468 -0.063 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.388 3.921 0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.101 5.204 -1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.108 5.128 0.367 1.00 0.00 H new ATOM 296 N PRO A 19 -1.238 4.583 -4.879 1.00 0.00 N ATOM 297 CA PRO A 19 -2.131 5.702 -4.467 1.00 0.00 C ATOM 298 C PRO A 19 -3.604 5.295 -4.539 1.00 0.00 C ATOM 299 O PRO A 19 -4.495 6.085 -4.298 1.00 0.00 O ATOM 300 CB PRO A 19 -1.830 6.789 -5.495 1.00 0.00 C ATOM 301 CG PRO A 19 -1.429 6.057 -6.733 1.00 0.00 C ATOM 302 CD PRO A 19 -0.838 4.714 -6.290 1.00 0.00 C ATOM 0 HA PRO A 19 -1.959 6.017 -3.438 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.704 7.415 -5.673 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.032 7.447 -5.150 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.289 5.903 -7.385 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.697 6.632 -7.300 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.227 3.892 -6.891 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.247 4.703 -6.398 1.00 0.00 H new ATOM 310 N CYS A 20 -3.859 4.061 -4.876 1.00 0.00 N ATOM 311 CA CYS A 20 -5.263 3.582 -4.975 1.00 0.00 C ATOM 312 C CYS A 20 -5.972 3.813 -3.644 1.00 0.00 C ATOM 313 O CYS A 20 -7.158 4.074 -3.596 1.00 0.00 O ATOM 314 CB CYS A 20 -5.264 2.087 -5.300 1.00 0.00 C ATOM 315 SG CYS A 20 -6.822 1.639 -6.104 1.00 0.00 S ATOM 0 H CYS A 20 -3.149 3.360 -5.088 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.782 4.128 -5.763 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -4.425 1.846 -5.952 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.135 1.506 -4.387 1.00 0.00 H new ATOM 0 HG CYS A 20 -7.209 0.472 -5.681 1.00 0.00 H new ATOM 320 N LYS A 21 -5.257 3.706 -2.559 1.00 0.00 N ATOM 321 CA LYS A 21 -5.886 3.903 -1.229 1.00 0.00 C ATOM 322 C LYS A 21 -6.865 2.760 -1.009 1.00 0.00 C ATOM 323 O LYS A 21 -7.845 2.883 -0.299 1.00 0.00 O ATOM 324 CB LYS A 21 -6.629 5.245 -1.192 1.00 0.00 C ATOM 325 CG LYS A 21 -6.191 6.034 0.041 1.00 0.00 C ATOM 326 CD LYS A 21 -6.957 7.357 0.102 1.00 0.00 C ATOM 327 CE LYS A 21 -6.052 8.443 0.686 1.00 0.00 C ATOM 328 NZ LYS A 21 -4.954 8.744 -0.275 1.00 0.00 N ATOM 0 H LYS A 21 -4.260 3.490 -2.539 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.128 3.913 -0.446 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.417 5.815 -2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.706 5.077 -1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.378 5.452 0.943 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.119 6.225 0.001 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.290 7.643 -0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.851 7.244 0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.631 9.344 0.887 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.636 8.112 1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.036 8.551 0.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.058 8.146 -1.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.000 9.745 -0.552 1.00 0.00 H new ATOM 342 N HIS A 22 -6.605 1.646 -1.637 1.00 0.00 N ATOM 343 CA HIS A 22 -7.517 0.478 -1.501 1.00 0.00 C ATOM 344 C HIS A 22 -6.974 -0.486 -0.447 1.00 0.00 C ATOM 345 O HIS A 22 -5.815 -0.423 -0.090 1.00 0.00 O ATOM 346 CB HIS A 22 -7.619 -0.241 -2.847 1.00 0.00 C ATOM 347 CG HIS A 22 -8.501 0.547 -3.776 1.00 0.00 C ATOM 348 ND1 HIS A 22 -8.876 0.064 -5.021 1.00 0.00 N ATOM 349 CD2 HIS A 22 -9.092 1.783 -3.659 1.00 0.00 C ATOM 350 CE1 HIS A 22 -9.660 0.994 -5.599 1.00 0.00 C ATOM 351 NE2 HIS A 22 -9.821 2.057 -4.810 1.00 0.00 N ATOM 0 H HIS A 22 -5.797 1.495 -2.241 1.00 0.00 H new ATOM 0 HA HIS A 22 -8.504 0.824 -1.193 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -6.627 -0.358 -3.284 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -8.026 -1.242 -2.706 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -8.607 -0.833 -5.425 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.003 2.439 -2.805 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.103 0.892 -6.579 1.00 0.00 H new ATOM 359 N VAL A 23 -7.803 -1.376 0.054 1.00 0.00 N ATOM 360 CA VAL A 23 -7.330 -2.344 1.091 1.00 0.00 C ATOM 361 C VAL A 23 -7.445 -3.779 0.592 1.00 0.00 C ATOM 362 O VAL A 23 -8.185 -4.089 -0.320 1.00 0.00 O ATOM 363 CB VAL A 23 -8.167 -2.237 2.360 1.00 0.00 C ATOM 364 CG1 VAL A 23 -7.244 -2.283 3.579 1.00 0.00 C ATOM 365 CG2 VAL A 23 -8.960 -0.932 2.360 1.00 0.00 C ATOM 0 H VAL A 23 -8.783 -1.471 -0.212 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.289 -2.096 1.299 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.867 -3.071 2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.839 -2.207 4.489 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.693 -3.224 3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.541 -1.451 3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.554 -0.867 3.272 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.272 -0.088 2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.621 -0.908 1.494 1.00 0.00 H new ATOM 375 N PHE A 24 -6.723 -4.654 1.226 1.00 0.00 N ATOM 376 CA PHE A 24 -6.759 -6.100 0.868 1.00 0.00 C ATOM 377 C PHE A 24 -6.127 -6.868 2.016 1.00 0.00 C ATOM 378 O PHE A 24 -5.905 -6.336 3.083 1.00 0.00 O ATOM 379 CB PHE A 24 -5.924 -6.380 -0.386 1.00 0.00 C ATOM 380 CG PHE A 24 -6.468 -5.635 -1.573 1.00 0.00 C ATOM 381 CD1 PHE A 24 -6.049 -4.329 -1.816 1.00 0.00 C ATOM 382 CD2 PHE A 24 -7.373 -6.256 -2.438 1.00 0.00 C ATOM 383 CE1 PHE A 24 -6.531 -3.633 -2.925 1.00 0.00 C ATOM 384 CE2 PHE A 24 -7.860 -5.561 -3.549 1.00 0.00 C ATOM 385 CZ PHE A 24 -7.439 -4.249 -3.796 1.00 0.00 C ATOM 0 H PHE A 24 -6.094 -4.425 1.996 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.791 -6.396 0.682 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.889 -6.086 -0.211 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.921 -7.450 -0.594 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.349 -3.854 -1.144 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.695 -7.269 -2.249 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.205 -2.621 -3.112 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.562 -6.037 -4.218 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.813 -3.713 -4.656 1.00 0.00 H new ATOM 395 N CYS A 25 -5.790 -8.098 1.795 1.00 0.00 N ATOM 396 CA CYS A 25 -5.118 -8.870 2.870 1.00 0.00 C ATOM 397 C CYS A 25 -3.627 -8.561 2.780 1.00 0.00 C ATOM 398 O CYS A 25 -2.975 -8.904 1.816 1.00 0.00 O ATOM 399 CB CYS A 25 -5.349 -10.358 2.654 1.00 0.00 C ATOM 400 SG CYS A 25 -5.860 -10.620 0.942 1.00 0.00 S ATOM 0 H CYS A 25 -5.948 -8.603 0.923 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.513 -8.600 3.849 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.438 -10.917 2.866 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.115 -10.725 3.338 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.781 -11.537 0.899 1.00 0.00 H new ATOM 405 N TYR A 26 -3.083 -7.899 3.758 1.00 0.00 N ATOM 406 CA TYR A 26 -1.636 -7.554 3.697 1.00 0.00 C ATOM 407 C TYR A 26 -0.821 -8.787 3.302 1.00 0.00 C ATOM 408 O TYR A 26 0.318 -8.677 2.900 1.00 0.00 O ATOM 409 CB TYR A 26 -1.179 -7.023 5.058 1.00 0.00 C ATOM 410 CG TYR A 26 0.228 -6.470 4.955 1.00 0.00 C ATOM 411 CD1 TYR A 26 0.508 -5.382 4.110 1.00 0.00 C ATOM 412 CD2 TYR A 26 1.256 -7.047 5.709 1.00 0.00 C ATOM 413 CE1 TYR A 26 1.813 -4.881 4.025 1.00 0.00 C ATOM 414 CE2 TYR A 26 2.559 -6.544 5.622 1.00 0.00 C ATOM 415 CZ TYR A 26 2.838 -5.462 4.780 1.00 0.00 C ATOM 416 OH TYR A 26 4.123 -4.967 4.695 1.00 0.00 O ATOM 0 H TYR A 26 -3.573 -7.582 4.594 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.479 -6.781 2.945 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.860 -6.244 5.401 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.211 -7.822 5.798 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.282 -4.933 3.527 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.043 -7.882 6.360 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.029 -4.045 3.376 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.350 -6.991 6.205 1.00 0.00 H new ATOM 0 HH TYR A 26 4.712 -5.483 5.284 1.00 0.00 H new ATOM 426 N ASP A 27 -1.390 -9.959 3.401 1.00 0.00 N ATOM 427 CA ASP A 27 -0.634 -11.184 3.013 1.00 0.00 C ATOM 428 C ASP A 27 -0.718 -11.377 1.498 1.00 0.00 C ATOM 429 O ASP A 27 0.275 -11.555 0.818 1.00 0.00 O ATOM 430 CB ASP A 27 -1.227 -12.403 3.723 1.00 0.00 C ATOM 431 CG ASP A 27 -0.197 -13.534 3.744 1.00 0.00 C ATOM 432 OD1 ASP A 27 -0.084 -14.225 2.745 1.00 0.00 O ATOM 433 OD2 ASP A 27 0.461 -13.689 4.759 1.00 0.00 O ATOM 0 H ASP A 27 -2.341 -10.120 3.732 1.00 0.00 H new ATOM 0 HA ASP A 27 0.410 -11.073 3.306 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.514 -12.140 4.741 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.132 -12.731 3.211 1.00 0.00 H new ATOM 438 N CYS A 28 -1.894 -11.337 0.957 1.00 0.00 N ATOM 439 CA CYS A 28 -2.022 -11.505 -0.511 1.00 0.00 C ATOM 440 C CYS A 28 -1.658 -10.180 -1.173 1.00 0.00 C ATOM 441 O CYS A 28 -1.302 -10.129 -2.334 1.00 0.00 O ATOM 442 CB CYS A 28 -3.451 -11.915 -0.881 1.00 0.00 C ATOM 443 SG CYS A 28 -4.115 -13.016 0.395 1.00 0.00 S ATOM 0 H CYS A 28 -2.769 -11.196 1.462 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.352 -12.292 -0.857 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.081 -11.031 -0.977 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.457 -12.417 -1.848 1.00 0.00 H new ATOM 0 HG CYS A 28 -5.040 -12.395 1.066 1.00 0.00 H new ATOM 448 N ALA A 29 -1.728 -9.106 -0.434 1.00 0.00 N ATOM 449 CA ALA A 29 -1.371 -7.789 -1.006 1.00 0.00 C ATOM 450 C ALA A 29 0.141 -7.753 -1.222 1.00 0.00 C ATOM 451 O ALA A 29 0.628 -7.159 -2.166 1.00 0.00 O ATOM 452 CB ALA A 29 -1.800 -6.677 -0.037 1.00 0.00 C ATOM 0 H ALA A 29 -2.019 -9.090 0.544 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.880 -7.634 -1.957 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.537 -5.706 -0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.878 -6.725 0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.290 -6.809 0.917 1.00 0.00 H new ATOM 458 N ILE A 30 0.897 -8.395 -0.366 1.00 0.00 N ATOM 459 CA ILE A 30 2.367 -8.390 -0.555 1.00 0.00 C ATOM 460 C ILE A 30 2.729 -9.425 -1.609 1.00 0.00 C ATOM 461 O ILE A 30 3.647 -9.243 -2.383 1.00 0.00 O ATOM 462 CB ILE A 30 3.079 -8.682 0.770 1.00 0.00 C ATOM 463 CG1 ILE A 30 2.747 -10.078 1.308 1.00 0.00 C ATOM 464 CG2 ILE A 30 2.633 -7.653 1.798 1.00 0.00 C ATOM 465 CD1 ILE A 30 3.729 -10.435 2.426 1.00 0.00 C ATOM 0 H ILE A 30 0.559 -8.914 0.444 1.00 0.00 H new ATOM 0 HA ILE A 30 2.692 -7.406 -0.892 1.00 0.00 H new ATOM 0 HB ILE A 30 4.153 -8.633 0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.725 -10.101 1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.808 -10.814 0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.132 -7.848 2.748 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.894 -6.654 1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.554 -7.719 1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.496 -11.428 2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.746 -10.428 2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.645 -9.704 3.231 1.00 0.00 H new ATOM 477 N LEU A 31 1.999 -10.504 -1.664 1.00 0.00 N ATOM 478 CA LEU A 31 2.306 -11.528 -2.701 1.00 0.00 C ATOM 479 C LEU A 31 2.067 -10.898 -4.071 1.00 0.00 C ATOM 480 O LEU A 31 2.766 -11.170 -5.029 1.00 0.00 O ATOM 481 CB LEU A 31 1.400 -12.749 -2.528 1.00 0.00 C ATOM 482 CG LEU A 31 1.870 -13.573 -1.325 1.00 0.00 C ATOM 483 CD1 LEU A 31 0.690 -14.357 -0.745 1.00 0.00 C ATOM 484 CD2 LEU A 31 2.957 -14.558 -1.768 1.00 0.00 C ATOM 0 H LEU A 31 1.216 -10.719 -1.047 1.00 0.00 H new ATOM 0 HA LEU A 31 3.341 -11.856 -2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.368 -12.430 -2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.421 -13.360 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 31 2.271 -12.900 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.027 -14.942 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.087 -13.662 -0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.288 -15.026 -1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.290 -15.143 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.554 -15.227 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.802 -14.006 -2.180 1.00 0.00 H new ATOM 496 N HIS A 32 1.092 -10.033 -4.164 1.00 0.00 N ATOM 497 CA HIS A 32 0.814 -9.362 -5.461 1.00 0.00 C ATOM 498 C HIS A 32 1.953 -8.392 -5.748 1.00 0.00 C ATOM 499 O HIS A 32 2.447 -8.302 -6.854 1.00 0.00 O ATOM 500 CB HIS A 32 -0.508 -8.596 -5.374 1.00 0.00 C ATOM 501 CG HIS A 32 -1.611 -9.428 -5.969 1.00 0.00 C ATOM 502 ND1 HIS A 32 -2.014 -9.287 -7.289 1.00 0.00 N ATOM 503 CD2 HIS A 32 -2.406 -10.414 -5.437 1.00 0.00 C ATOM 504 CE1 HIS A 32 -3.010 -10.166 -7.506 1.00 0.00 C ATOM 505 NE2 HIS A 32 -3.285 -10.875 -6.410 1.00 0.00 N ATOM 0 H HIS A 32 0.477 -9.764 -3.396 1.00 0.00 H new ATOM 0 HA HIS A 32 0.738 -10.101 -6.259 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -0.736 -8.361 -4.334 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -0.427 -7.648 -5.905 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -1.626 -8.636 -7.971 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -2.356 -10.775 -4.420 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -3.522 -10.283 -8.449 1.00 0.00 H new ATOM 514 N GLU A 33 2.385 -7.675 -4.749 1.00 0.00 N ATOM 515 CA GLU A 33 3.506 -6.724 -4.955 1.00 0.00 C ATOM 516 C GLU A 33 4.733 -7.522 -5.397 1.00 0.00 C ATOM 517 O GLU A 33 5.465 -7.123 -6.280 1.00 0.00 O ATOM 518 CB GLU A 33 3.778 -5.964 -3.644 1.00 0.00 C ATOM 519 CG GLU A 33 5.215 -6.183 -3.146 1.00 0.00 C ATOM 520 CD GLU A 33 5.431 -5.369 -1.868 1.00 0.00 C ATOM 521 OE1 GLU A 33 4.854 -5.729 -0.855 1.00 0.00 O ATOM 522 OE2 GLU A 33 6.169 -4.400 -1.925 1.00 0.00 O ATOM 0 H GLU A 33 2.010 -7.708 -3.801 1.00 0.00 H new ATOM 0 HA GLU A 33 3.261 -5.991 -5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.605 -4.899 -3.799 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.074 -6.294 -2.880 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.389 -7.241 -2.952 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.929 -5.878 -3.911 1.00 0.00 H new ATOM 529 N LYS A 34 4.954 -8.659 -4.800 1.00 0.00 N ATOM 530 CA LYS A 34 6.121 -9.484 -5.201 1.00 0.00 C ATOM 531 C LYS A 34 5.844 -10.057 -6.586 1.00 0.00 C ATOM 532 O LYS A 34 6.741 -10.466 -7.296 1.00 0.00 O ATOM 533 CB LYS A 34 6.315 -10.625 -4.200 1.00 0.00 C ATOM 534 CG LYS A 34 7.089 -10.112 -2.983 1.00 0.00 C ATOM 535 CD LYS A 34 6.714 -10.940 -1.753 1.00 0.00 C ATOM 536 CE LYS A 34 7.728 -10.684 -0.636 1.00 0.00 C ATOM 537 NZ LYS A 34 7.864 -9.216 -0.416 1.00 0.00 N ATOM 0 H LYS A 34 4.378 -9.050 -4.054 1.00 0.00 H new ATOM 0 HA LYS A 34 7.025 -8.876 -5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.347 -11.018 -3.889 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.857 -11.446 -4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.161 -10.179 -3.166 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.860 -9.060 -2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.712 -10.676 -1.416 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.696 -12.000 -2.007 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.404 -11.172 0.283 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.694 -11.114 -0.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.329 -9.044 0.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.437 -8.802 -1.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.921 -8.777 -0.414 1.00 0.00 H new ATOM 614 N MET A 39 0.611 -3.529 -9.252 1.00 0.00 N ATOM 615 CA MET A 39 -0.747 -3.843 -9.783 1.00 0.00 C ATOM 616 C MET A 39 -1.690 -4.220 -8.637 1.00 0.00 C ATOM 617 O MET A 39 -1.479 -5.186 -7.932 1.00 0.00 O ATOM 618 CB MET A 39 -0.658 -5.001 -10.780 1.00 0.00 C ATOM 619 CG MET A 39 -0.357 -6.303 -10.037 1.00 0.00 C ATOM 620 SD MET A 39 0.464 -7.462 -11.160 1.00 0.00 S ATOM 621 CE MET A 39 -1.016 -8.002 -12.051 1.00 0.00 C ATOM 0 HA MET A 39 -1.140 -2.960 -10.288 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.595 -5.093 -11.329 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.123 -4.802 -11.514 1.00 0.00 H new ATOM 0 HG2 MET A 39 0.279 -6.103 -9.174 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.281 -6.740 -9.658 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.738 -8.735 -12.808 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.718 -8.453 -11.350 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.485 -7.143 -12.532 1.00 0.00 H new ATOM 631 N CYS A 40 -2.732 -3.452 -8.449 1.00 0.00 N ATOM 632 CA CYS A 40 -3.695 -3.752 -7.352 1.00 0.00 C ATOM 633 C CYS A 40 -4.334 -5.131 -7.609 1.00 0.00 C ATOM 634 O CYS A 40 -4.651 -5.453 -8.737 1.00 0.00 O ATOM 635 CB CYS A 40 -4.792 -2.680 -7.336 1.00 0.00 C ATOM 636 SG CYS A 40 -5.348 -2.396 -5.638 1.00 0.00 S ATOM 0 H CYS A 40 -2.956 -2.630 -9.009 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.176 -3.758 -6.394 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.413 -1.752 -7.764 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.631 -2.997 -7.955 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.464 -2.864 -4.808 1.00 0.00 H new ATOM 641 N PRO A 41 -4.533 -5.949 -6.593 1.00 0.00 N ATOM 642 CA PRO A 41 -5.152 -7.293 -6.774 1.00 0.00 C ATOM 643 C PRO A 41 -6.404 -7.245 -7.650 1.00 0.00 C ATOM 644 O PRO A 41 -6.663 -8.150 -8.419 1.00 0.00 O ATOM 645 CB PRO A 41 -5.526 -7.718 -5.356 1.00 0.00 C ATOM 646 CG PRO A 41 -4.575 -7.003 -4.465 1.00 0.00 C ATOM 647 CD PRO A 41 -4.205 -5.702 -5.176 1.00 0.00 C ATOM 0 HA PRO A 41 -4.471 -7.981 -7.275 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.557 -7.451 -5.125 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.442 -8.798 -5.235 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.031 -6.799 -3.496 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.688 -7.609 -4.279 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.770 -4.858 -4.779 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.148 -5.467 -5.048 1.00 0.00 H new ATOM 655 N GLY A 42 -7.186 -6.203 -7.523 1.00 0.00 N ATOM 656 CA GLY A 42 -8.442 -6.095 -8.333 1.00 0.00 C ATOM 657 C GLY A 42 -8.408 -4.845 -9.217 1.00 0.00 C ATOM 658 O GLY A 42 -8.894 -4.852 -10.330 1.00 0.00 O ATOM 0 H GLY A 42 -7.010 -5.420 -6.893 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.558 -6.983 -8.954 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.306 -6.055 -7.670 1.00 0.00 H new ATOM 662 N CYS A 43 -7.858 -3.768 -8.731 1.00 0.00 N ATOM 663 CA CYS A 43 -7.820 -2.521 -9.548 1.00 0.00 C ATOM 664 C CYS A 43 -6.625 -2.549 -10.503 1.00 0.00 C ATOM 665 O CYS A 43 -6.544 -1.766 -11.429 1.00 0.00 O ATOM 666 CB CYS A 43 -7.703 -1.316 -8.617 1.00 0.00 C ATOM 667 SG CYS A 43 -8.294 -1.779 -6.971 1.00 0.00 S ATOM 0 H CYS A 43 -7.434 -3.696 -7.806 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.736 -2.449 -10.135 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -6.667 -0.981 -8.564 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.288 -0.482 -9.006 1.00 0.00 H new ATOM 0 HG CYS A 43 -7.278 -2.043 -6.204 1.00 0.00 H new ATOM 672 N SER A 44 -5.697 -3.440 -10.292 1.00 0.00 N ATOM 673 CA SER A 44 -4.513 -3.505 -11.194 1.00 0.00 C ATOM 674 C SER A 44 -3.945 -2.098 -11.392 1.00 0.00 C ATOM 675 O SER A 44 -3.473 -1.752 -12.457 1.00 0.00 O ATOM 676 CB SER A 44 -4.937 -4.079 -12.546 1.00 0.00 C ATOM 677 OG SER A 44 -3.799 -4.175 -13.393 1.00 0.00 O ATOM 0 H SER A 44 -5.707 -4.125 -9.536 1.00 0.00 H new ATOM 0 HA SER A 44 -3.750 -4.145 -10.750 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.388 -5.062 -12.411 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.693 -3.441 -13.004 1.00 0.00 H new ATOM 0 HG SER A 44 -3.272 -3.352 -13.327 1.00 0.00 H new ATOM 683 N ASP A 45 -3.982 -1.284 -10.371 1.00 0.00 N ATOM 684 CA ASP A 45 -3.440 0.097 -10.496 1.00 0.00 C ATOM 685 C ASP A 45 -1.963 0.083 -10.106 1.00 0.00 C ATOM 686 O ASP A 45 -1.502 -0.828 -9.456 1.00 0.00 O ATOM 687 CB ASP A 45 -4.210 1.032 -9.559 1.00 0.00 C ATOM 688 CG ASP A 45 -5.097 1.967 -10.384 1.00 0.00 C ATOM 689 OD1 ASP A 45 -5.667 1.505 -11.358 1.00 0.00 O ATOM 690 OD2 ASP A 45 -5.191 3.130 -10.027 1.00 0.00 O ATOM 0 H ASP A 45 -4.365 -1.518 -9.455 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.548 0.449 -11.522 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.821 0.450 -8.869 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.513 1.614 -8.955 1.00 0.00 H new ATOM 695 N PRO A 46 -1.221 1.081 -10.497 1.00 0.00 N ATOM 696 CA PRO A 46 0.232 1.163 -10.175 1.00 0.00 C ATOM 697 C PRO A 46 0.486 1.124 -8.660 1.00 0.00 C ATOM 698 O PRO A 46 0.810 2.119 -8.043 1.00 0.00 O ATOM 699 CB PRO A 46 0.680 2.502 -10.786 1.00 0.00 C ATOM 700 CG PRO A 46 -0.574 3.269 -11.055 1.00 0.00 C ATOM 701 CD PRO A 46 -1.675 2.236 -11.280 1.00 0.00 C ATOM 0 HA PRO A 46 0.788 0.315 -10.575 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.331 3.045 -10.101 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.245 2.343 -11.704 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.818 3.920 -10.215 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.457 3.908 -11.930 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.643 2.599 -10.936 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.784 1.988 -12.336 1.00 0.00 H new ATOM 709 N VAL A 47 0.338 -0.027 -8.054 1.00 0.00 N ATOM 710 CA VAL A 47 0.572 -0.127 -6.581 1.00 0.00 C ATOM 711 C VAL A 47 1.886 0.571 -6.224 1.00 0.00 C ATOM 712 O VAL A 47 2.956 0.016 -6.383 1.00 0.00 O ATOM 713 CB VAL A 47 0.647 -1.595 -6.171 1.00 0.00 C ATOM 714 CG1 VAL A 47 0.877 -1.692 -4.669 1.00 0.00 C ATOM 715 CG2 VAL A 47 -0.664 -2.275 -6.542 1.00 0.00 C ATOM 0 H VAL A 47 0.067 -0.897 -8.512 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.251 0.354 -6.052 1.00 0.00 H new ATOM 0 HB VAL A 47 1.472 -2.086 -6.687 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.931 -2.741 -4.376 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.812 -1.195 -4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.053 -1.210 -4.143 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.623 -3.325 -6.254 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.487 -1.787 -6.020 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.821 -2.200 -7.618 1.00 0.00 H new ATOM 725 N GLN A 48 1.818 1.780 -5.736 1.00 0.00 N ATOM 726 CA GLN A 48 3.066 2.501 -5.367 1.00 0.00 C ATOM 727 C GLN A 48 3.706 1.786 -4.186 1.00 0.00 C ATOM 728 O GLN A 48 4.798 1.262 -4.284 1.00 0.00 O ATOM 729 CB GLN A 48 2.740 3.947 -4.985 1.00 0.00 C ATOM 730 CG GLN A 48 3.954 4.587 -4.306 1.00 0.00 C ATOM 731 CD GLN A 48 4.038 6.064 -4.698 1.00 0.00 C ATOM 732 OE1 GLN A 48 4.717 6.416 -5.642 1.00 0.00 O ATOM 733 NE2 GLN A 48 3.371 6.948 -4.009 1.00 0.00 N ATOM 0 H GLN A 48 0.953 2.297 -5.578 1.00 0.00 H new ATOM 0 HA GLN A 48 3.753 2.512 -6.213 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.467 4.515 -5.874 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.881 3.971 -4.314 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.871 4.491 -3.223 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.866 4.068 -4.603 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.801 6.653 -3.216 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.419 7.935 -4.263 1.00 0.00 H new ATOM 742 N ARG A 49 3.032 1.743 -3.073 1.00 0.00 N ATOM 743 CA ARG A 49 3.613 1.039 -1.898 1.00 0.00 C ATOM 744 C ARG A 49 2.491 0.465 -1.031 1.00 0.00 C ATOM 745 O ARG A 49 1.520 1.122 -0.735 1.00 0.00 O ATOM 746 CB ARG A 49 4.493 2.016 -1.098 1.00 0.00 C ATOM 747 CG ARG A 49 4.070 2.076 0.378 1.00 0.00 C ATOM 748 CD ARG A 49 5.012 3.017 1.131 1.00 0.00 C ATOM 749 NE ARG A 49 6.212 2.259 1.587 1.00 0.00 N ATOM 750 CZ ARG A 49 6.932 2.710 2.577 1.00 0.00 C ATOM 751 NH1 ARG A 49 6.602 3.826 3.169 1.00 0.00 N ATOM 752 NH2 ARG A 49 7.983 2.046 2.975 1.00 0.00 N ATOM 0 H ARG A 49 2.113 2.160 -2.926 1.00 0.00 H new ATOM 0 HA ARG A 49 4.237 0.211 -2.234 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.536 1.707 -1.166 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.426 3.011 -1.538 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.042 2.428 0.460 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.102 1.080 0.819 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.313 3.841 0.484 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.498 3.455 1.987 1.00 0.00 H new ATOM 0 HE ARG A 49 6.470 1.387 1.125 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.781 4.345 2.857 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.165 4.179 3.943 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.241 1.175 2.512 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.546 2.399 3.749 1.00 0.00 H new ATOM 766 N ILE A 50 2.625 -0.757 -0.614 1.00 0.00 N ATOM 767 CA ILE A 50 1.574 -1.370 0.236 1.00 0.00 C ATOM 768 C ILE A 50 1.938 -1.201 1.695 1.00 0.00 C ATOM 769 O ILE A 50 3.092 -1.224 2.074 1.00 0.00 O ATOM 770 CB ILE A 50 1.458 -2.856 -0.057 1.00 0.00 C ATOM 771 CG1 ILE A 50 1.578 -3.066 -1.562 1.00 0.00 C ATOM 772 CG2 ILE A 50 0.112 -3.378 0.452 1.00 0.00 C ATOM 773 CD1 ILE A 50 1.220 -4.510 -1.929 1.00 0.00 C ATOM 0 H ILE A 50 3.420 -1.361 -0.825 1.00 0.00 H new ATOM 0 HA ILE A 50 0.626 -0.877 0.020 1.00 0.00 H new ATOM 0 HB ILE A 50 2.252 -3.404 0.450 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.917 -2.376 -2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.594 -2.842 -1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.032 -4.444 0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.042 -3.215 1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.697 -2.847 -0.049 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.310 -4.645 -3.007 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.899 -5.194 -1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.196 -4.720 -1.622 1.00 0.00 H new ATOM 785 N GLU A 51 0.951 -1.032 2.509 1.00 0.00 N ATOM 786 CA GLU A 51 1.200 -0.857 3.963 1.00 0.00 C ATOM 787 C GLU A 51 0.145 -1.617 4.763 1.00 0.00 C ATOM 788 O GLU A 51 -0.970 -1.805 4.322 1.00 0.00 O ATOM 789 CB GLU A 51 1.151 0.629 4.306 1.00 0.00 C ATOM 790 CG GLU A 51 2.165 1.364 3.430 1.00 0.00 C ATOM 791 CD GLU A 51 2.250 2.829 3.862 1.00 0.00 C ATOM 792 OE1 GLU A 51 1.420 3.606 3.420 1.00 0.00 O ATOM 793 OE2 GLU A 51 3.144 3.149 4.628 1.00 0.00 O ATOM 0 H GLU A 51 -0.031 -1.006 2.233 1.00 0.00 H new ATOM 0 HA GLU A 51 2.183 -1.253 4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.149 1.024 4.138 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.381 0.782 5.361 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.144 0.892 3.515 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.870 1.300 2.383 1.00 0.00 H new ATOM 800 N GLN A 52 0.499 -2.063 5.934 1.00 0.00 N ATOM 801 CA GLN A 52 -0.468 -2.824 6.771 1.00 0.00 C ATOM 802 C GLN A 52 -1.162 -1.876 7.750 1.00 0.00 C ATOM 803 O GLN A 52 -0.602 -0.883 8.172 1.00 0.00 O ATOM 804 CB GLN A 52 0.277 -3.908 7.553 1.00 0.00 C ATOM 805 CG GLN A 52 0.908 -3.293 8.804 1.00 0.00 C ATOM 806 CD GLN A 52 2.051 -4.186 9.291 1.00 0.00 C ATOM 807 OE1 GLN A 52 3.206 -3.905 9.041 1.00 0.00 O ATOM 808 NE2 GLN A 52 1.775 -5.259 9.981 1.00 0.00 N ATOM 0 H GLN A 52 1.421 -1.933 6.350 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.215 -3.287 6.127 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.410 -4.706 7.834 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.048 -4.358 6.927 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.283 -2.294 8.582 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.158 -3.185 9.587 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.805 -5.495 10.191 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.529 -5.862 10.310 1.00 0.00 H new ATOM 817 N CYS A 53 -2.379 -2.174 8.115 1.00 0.00 N ATOM 818 CA CYS A 53 -3.108 -1.292 9.065 1.00 0.00 C ATOM 819 C CYS A 53 -4.124 -2.116 9.857 1.00 0.00 C ATOM 820 O CYS A 53 -4.408 -3.251 9.529 1.00 0.00 O ATOM 821 CB CYS A 53 -3.842 -0.203 8.283 1.00 0.00 C ATOM 822 SG CYS A 53 -2.989 1.379 8.503 1.00 0.00 S ATOM 0 H CYS A 53 -2.899 -2.991 7.795 1.00 0.00 H new ATOM 0 HA CYS A 53 -2.396 -0.836 9.753 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -3.880 -0.463 7.225 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.872 -0.124 8.629 1.00 0.00 H new ATOM 0 HG CYS A 53 -1.704 1.187 8.472 1.00 0.00 H new ATOM 827 N THR A 54 -4.681 -1.550 10.892 1.00 0.00 N ATOM 828 CA THR A 54 -5.685 -2.297 11.697 1.00 0.00 C ATOM 829 C THR A 54 -7.037 -2.229 10.986 1.00 0.00 C ATOM 830 O THR A 54 -7.280 -1.348 10.185 1.00 0.00 O ATOM 831 CB THR A 54 -5.800 -1.668 13.087 1.00 0.00 C ATOM 832 OG1 THR A 54 -5.080 -0.443 13.112 1.00 0.00 O ATOM 833 CG2 THR A 54 -5.218 -2.624 14.129 1.00 0.00 C ATOM 0 H THR A 54 -4.484 -0.603 11.214 1.00 0.00 H new ATOM 0 HA THR A 54 -5.376 -3.337 11.803 1.00 0.00 H new ATOM 0 HB THR A 54 -6.849 -1.478 13.315 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.545 0.221 12.562 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.300 -2.176 15.119 1.00 0.00 H new ATOM 0 HG22 THR A 54 -5.770 -3.564 14.109 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.169 -2.814 13.902 1.00 0.00 H new ATOM 841 N ARG A 55 -7.917 -3.152 11.257 1.00 0.00 N ATOM 842 CA ARG A 55 -9.242 -3.128 10.576 1.00 0.00 C ATOM 843 C ARG A 55 -10.117 -2.036 11.183 1.00 0.00 C ATOM 844 O ARG A 55 -11.330 -2.095 11.138 1.00 0.00 O ATOM 845 CB ARG A 55 -9.927 -4.487 10.725 1.00 0.00 C ATOM 846 CG ARG A 55 -9.925 -4.902 12.198 1.00 0.00 C ATOM 847 CD ARG A 55 -11.300 -5.455 12.575 1.00 0.00 C ATOM 848 NE ARG A 55 -11.771 -6.386 11.511 1.00 0.00 N ATOM 849 CZ ARG A 55 -11.198 -7.549 11.361 1.00 0.00 C ATOM 850 NH1 ARG A 55 -10.212 -7.896 12.143 1.00 0.00 N ATOM 851 NH2 ARG A 55 -11.610 -8.364 10.430 1.00 0.00 N ATOM 0 H ARG A 55 -7.778 -3.918 11.916 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.095 -2.918 9.517 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.950 -4.433 10.353 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.409 -5.235 10.125 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.158 -5.656 12.373 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.681 -4.046 12.827 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.244 -5.976 13.531 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.011 -4.638 12.699 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.541 -6.114 10.900 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.890 -7.258 12.871 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.764 -8.805 12.026 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.380 -8.093 9.819 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.162 -9.273 10.313 1.00 0.00 H new ATOM 865 N GLY A 56 -9.505 -1.032 11.731 1.00 0.00 N ATOM 866 CA GLY A 56 -10.277 0.088 12.326 1.00 0.00 C ATOM 867 C GLY A 56 -9.505 1.376 12.067 1.00 0.00 C ATOM 868 O GLY A 56 -9.761 2.402 12.665 1.00 0.00 O ATOM 0 H GLY A 56 -8.491 -0.937 11.794 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.272 0.144 11.884 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.412 -0.068 13.396 1.00 0.00 H new ATOM 872 N SER A 57 -8.541 1.315 11.185 1.00 0.00 N ATOM 873 CA SER A 57 -7.722 2.523 10.887 1.00 0.00 C ATOM 874 C SER A 57 -8.250 3.229 9.637 1.00 0.00 C ATOM 875 O SER A 57 -7.963 4.387 9.409 1.00 0.00 O ATOM 876 CB SER A 57 -6.270 2.104 10.653 1.00 0.00 C ATOM 877 OG SER A 57 -5.987 0.943 11.423 1.00 0.00 O ATOM 0 H SER A 57 -8.287 0.479 10.659 1.00 0.00 H new ATOM 0 HA SER A 57 -7.782 3.208 11.733 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.104 1.902 9.595 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.596 2.914 10.933 1.00 0.00 H new ATOM 0 HG SER A 57 -6.420 0.165 11.013 1.00 0.00 H new ATOM 883 N LEU A 58 -9.013 2.540 8.826 1.00 0.00 N ATOM 884 CA LEU A 58 -9.555 3.169 7.584 1.00 0.00 C ATOM 885 C LEU A 58 -11.066 3.354 7.715 1.00 0.00 C ATOM 886 O LEU A 58 -11.694 2.780 8.583 1.00 0.00 O ATOM 887 CB LEU A 58 -9.268 2.261 6.389 1.00 0.00 C ATOM 888 CG LEU A 58 -7.825 1.762 6.452 1.00 0.00 C ATOM 889 CD1 LEU A 58 -7.525 0.932 5.204 1.00 0.00 C ATOM 890 CD2 LEU A 58 -6.872 2.958 6.503 1.00 0.00 C ATOM 0 H LEU A 58 -9.284 1.567 8.971 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.080 4.139 7.438 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.955 1.415 6.390 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.434 2.805 5.459 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.690 1.150 7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.496 0.574 5.244 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.205 0.081 5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.660 1.549 4.316 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.843 2.602 6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.006 3.568 5.610 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.087 3.557 7.388 1.00 0.00 H new ATOM 902 N PHE A 59 -11.651 4.149 6.851 1.00 0.00 N ATOM 903 CA PHE A 59 -13.125 4.378 6.907 1.00 0.00 C ATOM 904 C PHE A 59 -13.755 3.909 5.593 1.00 0.00 C ATOM 905 O PHE A 59 -13.502 4.460 4.543 1.00 0.00 O ATOM 906 CB PHE A 59 -13.404 5.868 7.116 1.00 0.00 C ATOM 907 CG PHE A 59 -12.725 6.330 8.384 1.00 0.00 C ATOM 908 CD1 PHE A 59 -11.334 6.485 8.416 1.00 0.00 C ATOM 909 CD2 PHE A 59 -13.486 6.601 9.527 1.00 0.00 C ATOM 910 CE1 PHE A 59 -10.705 6.911 9.592 1.00 0.00 C ATOM 911 CE2 PHE A 59 -12.857 7.027 10.703 1.00 0.00 C ATOM 912 CZ PHE A 59 -11.466 7.182 10.735 1.00 0.00 C ATOM 0 H PHE A 59 -11.166 4.650 6.107 1.00 0.00 H new ATOM 0 HA PHE A 59 -13.555 3.817 7.736 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.038 6.441 6.264 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -14.478 6.043 7.180 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -10.747 6.276 7.534 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -14.559 6.481 9.502 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -9.632 7.031 9.617 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -13.444 7.236 11.585 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.980 7.511 11.642 1.00 0.00 H new ATOM 922 N MET A 60 -14.561 2.883 5.643 1.00 0.00 N ATOM 923 CA MET A 60 -15.193 2.360 4.395 1.00 0.00 C ATOM 924 C MET A 60 -16.410 3.206 4.008 1.00 0.00 C ATOM 925 O MET A 60 -17.146 3.680 4.851 1.00 0.00 O ATOM 926 CB MET A 60 -15.636 0.913 4.622 1.00 0.00 C ATOM 927 CG MET A 60 -14.425 0.064 5.015 1.00 0.00 C ATOM 928 SD MET A 60 -14.435 -1.478 4.068 1.00 0.00 S ATOM 929 CE MET A 60 -13.752 -0.806 2.533 1.00 0.00 C ATOM 0 H MET A 60 -14.810 2.382 6.496 1.00 0.00 H new ATOM 0 HA MET A 60 -14.463 2.408 3.587 1.00 0.00 H new ATOM 0 HB2 MET A 60 -16.392 0.872 5.406 1.00 0.00 H new ATOM 0 HB3 MET A 60 -16.094 0.515 3.716 1.00 0.00 H new ATOM 0 HG2 MET A 60 -13.504 0.615 4.823 1.00 0.00 H new ATOM 0 HG3 MET A 60 -14.451 -0.153 6.083 1.00 0.00 H new ATOM 0 HE1 MET A 60 -14.051 -1.436 1.695 1.00 0.00 H new ATOM 0 HE2 MET A 60 -14.129 0.205 2.379 1.00 0.00 H new ATOM 0 HE3 MET A 60 -12.664 -0.782 2.599 1.00 0.00 H new ATOM 939 N CYS A 61 -16.624 3.383 2.729 1.00 0.00 N ATOM 940 CA CYS A 61 -17.793 4.183 2.254 1.00 0.00 C ATOM 941 C CYS A 61 -18.876 3.232 1.739 1.00 0.00 C ATOM 942 O CYS A 61 -18.584 2.214 1.143 1.00 0.00 O ATOM 943 CB CYS A 61 -17.351 5.110 1.117 1.00 0.00 C ATOM 944 SG CYS A 61 -18.748 5.408 0.005 1.00 0.00 S ATOM 0 H CYS A 61 -16.034 3.004 1.988 1.00 0.00 H new ATOM 0 HA CYS A 61 -18.186 4.780 3.077 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -16.988 6.054 1.523 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -16.524 4.660 0.567 1.00 0.00 H new ATOM 0 HG CYS A 61 -18.437 6.345 -0.841 1.00 0.00 H new ATOM 1051 N ARG A 69 -14.046 3.141 -1.556 1.00 0.00 N ATOM 1052 CA ARG A 69 -12.893 4.079 -1.453 1.00 0.00 C ATOM 1053 C ARG A 69 -12.605 4.372 0.021 1.00 0.00 C ATOM 1054 O ARG A 69 -13.191 5.257 0.613 1.00 0.00 O ATOM 1055 CB ARG A 69 -13.226 5.383 -2.180 1.00 0.00 C ATOM 1056 CG ARG A 69 -13.237 5.135 -3.690 1.00 0.00 C ATOM 1057 CD ARG A 69 -11.837 5.372 -4.258 1.00 0.00 C ATOM 1058 NE ARG A 69 -11.694 4.642 -5.550 1.00 0.00 N ATOM 1059 CZ ARG A 69 -12.189 5.150 -6.645 1.00 0.00 C ATOM 1060 NH1 ARG A 69 -12.811 6.297 -6.610 1.00 0.00 N ATOM 1061 NH2 ARG A 69 -12.062 4.511 -7.776 1.00 0.00 N ATOM 0 HA ARG A 69 -12.014 3.626 -1.911 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -14.197 5.756 -1.855 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.491 6.149 -1.931 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.557 4.114 -3.899 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -13.954 5.799 -4.173 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -11.671 6.438 -4.410 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -11.083 5.030 -3.549 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.209 3.745 -5.578 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -12.910 6.797 -5.726 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -13.198 6.694 -7.466 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.576 3.615 -7.804 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.449 4.908 -8.632 1.00 0.00 H new ATOM 1075 N THR A 70 -11.709 3.635 0.620 1.00 0.00 N ATOM 1076 CA THR A 70 -11.390 3.874 2.056 1.00 0.00 C ATOM 1077 C THR A 70 -10.557 5.147 2.194 1.00 0.00 C ATOM 1078 O THR A 70 -10.175 5.762 1.218 1.00 0.00 O ATOM 1079 CB THR A 70 -10.586 2.699 2.617 1.00 0.00 C ATOM 1080 OG1 THR A 70 -10.097 1.905 1.545 1.00 0.00 O ATOM 1081 CG2 THR A 70 -11.474 1.847 3.524 1.00 0.00 C ATOM 0 H THR A 70 -11.185 2.879 0.178 1.00 0.00 H new ATOM 0 HA THR A 70 -12.324 3.977 2.608 1.00 0.00 H new ATOM 0 HB THR A 70 -9.747 3.082 3.198 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.408 2.403 1.057 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.895 1.012 3.920 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.843 2.457 4.349 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.318 1.464 2.951 1.00 0.00 H new ATOM 1089 N TYR A 71 -10.258 5.533 3.403 1.00 0.00 N ATOM 1090 CA TYR A 71 -9.436 6.751 3.616 1.00 0.00 C ATOM 1091 C TYR A 71 -8.808 6.690 5.008 1.00 0.00 C ATOM 1092 O TYR A 71 -8.858 5.674 5.671 1.00 0.00 O ATOM 1093 CB TYR A 71 -10.311 7.997 3.492 1.00 0.00 C ATOM 1094 CG TYR A 71 -10.679 8.201 2.042 1.00 0.00 C ATOM 1095 CD1 TYR A 71 -9.804 8.883 1.188 1.00 0.00 C ATOM 1096 CD2 TYR A 71 -11.892 7.705 1.550 1.00 0.00 C ATOM 1097 CE1 TYR A 71 -10.142 9.070 -0.158 1.00 0.00 C ATOM 1098 CE2 TYR A 71 -12.230 7.891 0.204 1.00 0.00 C ATOM 1099 CZ TYR A 71 -11.355 8.573 -0.650 1.00 0.00 C ATOM 1100 OH TYR A 71 -11.688 8.756 -1.976 1.00 0.00 O ATOM 0 H TYR A 71 -10.550 5.054 4.255 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.650 6.800 2.862 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.211 7.886 4.096 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -9.779 8.869 3.871 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -8.868 9.265 1.568 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.567 7.179 2.209 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -9.467 9.597 -0.816 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -13.166 7.508 -0.175 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.595 8.421 -2.135 1.00 0.00 H new ATOM 1110 N LEU A 72 -8.199 7.761 5.441 1.00 0.00 N ATOM 1111 CA LEU A 72 -7.536 7.771 6.778 1.00 0.00 C ATOM 1112 C LEU A 72 -8.313 8.661 7.748 1.00 0.00 C ATOM 1113 O LEU A 72 -8.068 8.652 8.938 1.00 0.00 O ATOM 1114 CB LEU A 72 -6.106 8.310 6.643 1.00 0.00 C ATOM 1115 CG LEU A 72 -5.698 8.370 5.167 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -4.267 8.900 5.056 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -5.762 6.968 4.556 1.00 0.00 C ATOM 0 H LEU A 72 -8.132 8.636 4.922 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.514 6.751 7.162 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.041 9.304 7.086 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.415 7.670 7.193 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.380 9.032 4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.975 8.943 4.007 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.214 9.899 5.489 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.590 8.236 5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.471 7.015 3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.082 6.306 5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.779 6.583 4.634 1.00 0.00 H new ATOM 1129 N SER A 73 -9.244 9.431 7.261 1.00 0.00 N ATOM 1130 CA SER A 73 -10.019 10.310 8.175 1.00 0.00 C ATOM 1131 C SER A 73 -11.414 10.532 7.600 1.00 0.00 C ATOM 1132 O SER A 73 -11.571 10.812 6.429 1.00 0.00 O ATOM 1133 CB SER A 73 -9.306 11.655 8.316 1.00 0.00 C ATOM 1134 OG SER A 73 -8.304 11.551 9.319 1.00 0.00 O ATOM 0 H SER A 73 -9.500 9.489 6.275 1.00 0.00 H new ATOM 0 HA SER A 73 -10.099 9.838 9.154 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.857 11.943 7.365 1.00 0.00 H new ATOM 0 HB3 SER A 73 -10.022 12.434 8.580 1.00 0.00 H new ATOM 0 HG SER A 73 -8.116 10.606 9.497 1.00 0.00 H new ATOM 1140 N GLN A 74 -12.426 10.402 8.415 1.00 0.00 N ATOM 1141 CA GLN A 74 -13.815 10.605 7.918 1.00 0.00 C ATOM 1142 C GLN A 74 -13.854 11.850 7.034 1.00 0.00 C ATOM 1143 O GLN A 74 -14.615 11.933 6.099 1.00 0.00 O ATOM 1144 CB GLN A 74 -14.761 10.791 9.107 1.00 0.00 C ATOM 1145 CG GLN A 74 -16.162 10.310 8.726 1.00 0.00 C ATOM 1146 CD GLN A 74 -16.236 8.789 8.868 1.00 0.00 C ATOM 1147 OE1 GLN A 74 -16.730 8.283 9.856 1.00 0.00 O ATOM 1148 NE2 GLN A 74 -15.762 8.033 7.916 1.00 0.00 N ATOM 0 H GLN A 74 -12.350 10.164 9.404 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.129 9.736 7.340 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.395 10.231 9.968 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.793 11.841 9.399 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -16.907 10.782 9.367 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -16.392 10.602 7.701 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.347 8.457 7.086 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -15.806 7.018 8.001 1.00 0.00 H new ATOM 1157 N ARG A 75 -13.033 12.817 7.329 1.00 0.00 N ATOM 1158 CA ARG A 75 -13.012 14.065 6.515 1.00 0.00 C ATOM 1159 C ARG A 75 -12.625 13.754 5.067 1.00 0.00 C ATOM 1160 O ARG A 75 -13.061 14.411 4.142 1.00 0.00 O ATOM 1161 CB ARG A 75 -11.981 15.020 7.113 1.00 0.00 C ATOM 1162 CG ARG A 75 -11.862 16.266 6.235 1.00 0.00 C ATOM 1163 CD ARG A 75 -10.551 16.216 5.447 1.00 0.00 C ATOM 1164 NE ARG A 75 -9.404 16.135 6.395 1.00 0.00 N ATOM 1165 CZ ARG A 75 -9.029 17.196 7.056 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -9.656 18.327 6.887 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -8.025 17.125 7.888 1.00 0.00 N ATOM 0 H ARG A 75 -12.371 12.797 8.104 1.00 0.00 H new ATOM 0 HA ARG A 75 -14.004 14.516 6.524 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.276 15.302 8.124 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.013 14.524 7.190 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.708 16.322 5.550 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.892 17.163 6.853 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.547 15.353 4.781 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.457 17.103 4.821 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.912 15.251 6.527 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.441 18.383 6.238 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.362 19.155 7.404 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.534 16.241 8.021 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.731 17.954 8.405 1.00 0.00 H new ATOM 1181 N ASP A 76 -11.807 12.765 4.863 1.00 0.00 N ATOM 1182 CA ASP A 76 -11.387 12.419 3.478 1.00 0.00 C ATOM 1183 C ASP A 76 -12.448 11.520 2.858 1.00 0.00 C ATOM 1184 O ASP A 76 -12.757 11.607 1.684 1.00 0.00 O ATOM 1185 CB ASP A 76 -10.046 11.685 3.518 1.00 0.00 C ATOM 1186 CG ASP A 76 -8.905 12.702 3.452 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -8.607 13.159 2.360 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -8.348 13.006 4.494 1.00 0.00 O ATOM 0 H ASP A 76 -11.409 12.178 5.596 1.00 0.00 H new ATOM 0 HA ASP A 76 -11.276 13.326 2.883 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.969 11.095 4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.975 10.989 2.682 1.00 0.00 H new ATOM 1193 N LEU A 77 -13.032 10.675 3.653 1.00 0.00 N ATOM 1194 CA LEU A 77 -14.087 9.788 3.141 1.00 0.00 C ATOM 1195 C LEU A 77 -15.331 10.626 2.955 1.00 0.00 C ATOM 1196 O LEU A 77 -16.089 10.435 2.034 1.00 0.00 O ATOM 1197 CB LEU A 77 -14.351 8.685 4.158 1.00 0.00 C ATOM 1198 CG LEU A 77 -15.603 7.909 3.766 1.00 0.00 C ATOM 1199 CD1 LEU A 77 -15.336 6.418 3.940 1.00 0.00 C ATOM 1200 CD2 LEU A 77 -16.761 8.338 4.670 1.00 0.00 C ATOM 0 H LEU A 77 -12.817 10.565 4.644 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.792 9.330 2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.495 8.011 4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.476 9.116 5.151 1.00 0.00 H new ATOM 0 HG LEU A 77 -15.862 8.113 2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -16.226 5.854 3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.504 6.120 3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.087 6.212 4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.660 7.787 4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.509 8.127 5.709 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.940 9.407 4.550 1.00 0.00 H new ATOM 1212 N GLN A 78 -15.527 11.585 3.804 1.00 0.00 N ATOM 1213 CA GLN A 78 -16.708 12.455 3.634 1.00 0.00 C ATOM 1214 C GLN A 78 -16.461 13.250 2.378 1.00 0.00 C ATOM 1215 O GLN A 78 -17.338 13.487 1.563 1.00 0.00 O ATOM 1216 CB GLN A 78 -16.845 13.404 4.824 1.00 0.00 C ATOM 1217 CG GLN A 78 -18.237 14.029 4.829 1.00 0.00 C ATOM 1218 CD GLN A 78 -18.454 14.867 3.566 1.00 0.00 C ATOM 1219 OE1 GLN A 78 -17.866 15.919 3.411 1.00 0.00 O ATOM 1220 NE2 GLN A 78 -19.281 14.438 2.651 1.00 0.00 N ATOM 0 H GLN A 78 -14.927 11.802 4.600 1.00 0.00 H new ATOM 0 HA GLN A 78 -17.625 11.868 3.571 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -16.676 12.862 5.754 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -16.086 14.184 4.768 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -18.993 13.246 4.887 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -18.358 14.655 5.713 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -19.774 13.555 2.783 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -19.434 14.986 1.805 1.00 0.00 H new ATOM 1229 N ALA A 79 -15.244 13.639 2.219 1.00 0.00 N ATOM 1230 CA ALA A 79 -14.869 14.405 1.020 1.00 0.00 C ATOM 1231 C ALA A 79 -15.028 13.492 -0.184 1.00 0.00 C ATOM 1232 O ALA A 79 -15.178 13.945 -1.301 1.00 0.00 O ATOM 1233 CB ALA A 79 -13.415 14.868 1.134 1.00 0.00 C ATOM 0 H ALA A 79 -14.484 13.458 2.875 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.504 15.285 0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.143 15.435 0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.302 15.500 2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.763 14.000 1.225 1.00 0.00 H new ATOM 1239 N HIS A 80 -15.013 12.200 0.026 1.00 0.00 N ATOM 1240 CA HIS A 80 -15.171 11.294 -1.141 1.00 0.00 C ATOM 1241 C HIS A 80 -16.640 11.281 -1.563 1.00 0.00 C ATOM 1242 O HIS A 80 -16.965 11.229 -2.733 1.00 0.00 O ATOM 1243 CB HIS A 80 -14.703 9.879 -0.794 1.00 0.00 C ATOM 1244 CG HIS A 80 -15.351 8.894 -1.723 1.00 0.00 C ATOM 1245 ND1 HIS A 80 -14.918 8.705 -3.026 1.00 0.00 N ATOM 1246 CD2 HIS A 80 -16.402 8.033 -1.547 1.00 0.00 C ATOM 1247 CE1 HIS A 80 -15.701 7.760 -3.578 1.00 0.00 C ATOM 1248 NE2 HIS A 80 -16.622 7.317 -2.719 1.00 0.00 N ATOM 0 H HIS A 80 -14.901 11.746 0.933 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.556 11.656 -1.965 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -13.618 9.813 -0.877 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -14.959 9.643 0.239 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -14.147 9.193 -3.483 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -16.973 7.926 -0.637 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -15.597 7.403 -4.592 1.00 0.00 H new ATOM 1256 N ILE A 81 -17.528 11.337 -0.611 1.00 0.00 N ATOM 1257 CA ILE A 81 -18.988 11.340 -0.940 1.00 0.00 C ATOM 1258 C ILE A 81 -19.332 12.564 -1.763 1.00 0.00 C ATOM 1259 O ILE A 81 -19.937 12.472 -2.809 1.00 0.00 O ATOM 1260 CB ILE A 81 -19.851 11.415 0.328 1.00 0.00 C ATOM 1261 CG1 ILE A 81 -19.267 10.558 1.449 1.00 0.00 C ATOM 1262 CG2 ILE A 81 -21.272 10.955 0.006 1.00 0.00 C ATOM 1263 CD1 ILE A 81 -19.374 9.067 1.116 1.00 0.00 C ATOM 0 H ILE A 81 -17.309 11.381 0.384 1.00 0.00 H new ATOM 0 HA ILE A 81 -19.189 10.416 -1.482 1.00 0.00 H new ATOM 0 HB ILE A 81 -19.867 12.449 0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.222 10.824 1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -19.794 10.764 2.381 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -21.884 11.008 0.906 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -21.698 11.601 -0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -21.248 9.927 -0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.951 8.481 1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -20.422 8.798 0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.826 8.859 0.197 1.00 0.00 H new ATOM 1275 N ASN A 82 -18.980 13.716 -1.282 1.00 0.00 N ATOM 1276 CA ASN A 82 -19.330 14.950 -2.026 1.00 0.00 C ATOM 1277 C ASN A 82 -18.470 15.058 -3.268 1.00 0.00 C ATOM 1278 O ASN A 82 -18.787 15.787 -4.188 1.00 0.00 O ATOM 1279 CB ASN A 82 -19.112 16.177 -1.144 1.00 0.00 C ATOM 1280 CG ASN A 82 -17.834 16.008 -0.332 1.00 0.00 C ATOM 1281 OD1 ASN A 82 -16.757 15.944 -0.887 1.00 0.00 O ATOM 1282 ND2 ASN A 82 -17.911 15.938 0.970 1.00 0.00 N ATOM 0 H ASN A 82 -18.468 13.858 -0.411 1.00 0.00 H new ATOM 0 HA ASN A 82 -20.380 14.903 -2.314 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -19.046 17.073 -1.761 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -19.963 16.312 -0.476 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.063 15.829 1.526 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -18.819 15.992 1.431 1.00 0.00 H new ATOM 1289 N HIS A 83 -17.376 14.358 -3.308 1.00 0.00 N ATOM 1290 CA HIS A 83 -16.512 14.465 -4.508 1.00 0.00 C ATOM 1291 C HIS A 83 -16.961 13.503 -5.611 1.00 0.00 C ATOM 1292 O HIS A 83 -16.678 13.737 -6.769 1.00 0.00 O ATOM 1293 CB HIS A 83 -15.059 14.164 -4.144 1.00 0.00 C ATOM 1294 CG HIS A 83 -14.476 15.330 -3.395 1.00 0.00 C ATOM 1295 ND1 HIS A 83 -13.130 15.400 -3.064 1.00 0.00 N ATOM 1296 CD2 HIS A 83 -15.043 16.481 -2.905 1.00 0.00 C ATOM 1297 CE1 HIS A 83 -12.934 16.557 -2.405 1.00 0.00 C ATOM 1298 NE2 HIS A 83 -14.067 17.250 -2.282 1.00 0.00 N ATOM 0 H HIS A 83 -17.047 13.728 -2.576 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.597 15.486 -4.880 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -15.006 13.263 -3.533 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -14.479 13.972 -5.047 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -16.086 16.747 -2.991 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -11.978 16.884 -2.023 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -14.191 18.154 -1.827 1.00 0.00 H new ATOM 1307 N ARG A 84 -17.614 12.409 -5.277 1.00 0.00 N ATOM 1308 CA ARG A 84 -18.013 11.439 -6.347 1.00 0.00 C ATOM 1309 C ARG A 84 -19.493 11.051 -6.257 1.00 0.00 C ATOM 1310 O ARG A 84 -20.060 10.576 -7.222 1.00 0.00 O ATOM 1311 CB ARG A 84 -17.148 10.166 -6.258 1.00 0.00 C ATOM 1312 CG ARG A 84 -15.738 10.482 -5.722 1.00 0.00 C ATOM 1313 CD ARG A 84 -14.906 11.158 -6.817 1.00 0.00 C ATOM 1314 NE ARG A 84 -13.841 11.991 -6.190 1.00 0.00 N ATOM 1315 CZ ARG A 84 -12.855 12.443 -6.916 1.00 0.00 C ATOM 1316 NH1 ARG A 84 -12.802 12.166 -8.190 1.00 0.00 N ATOM 1317 NH2 ARG A 84 -11.922 13.173 -6.368 1.00 0.00 N ATOM 0 H ARG A 84 -17.882 12.151 -4.327 1.00 0.00 H new ATOM 0 HA ARG A 84 -17.854 11.936 -7.304 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -17.633 9.440 -5.606 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -17.070 9.707 -7.244 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -15.808 11.134 -4.851 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -15.249 9.564 -5.395 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -14.459 10.405 -7.466 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -15.546 11.779 -7.444 1.00 0.00 H new ATOM 0 HE ARG A 84 -13.883 12.208 -5.194 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -13.531 11.596 -8.619 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.031 12.519 -8.757 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.963 13.390 -5.372 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.152 13.526 -6.935 1.00 0.00 H new ATOM 1331 N HIS A 85 -20.124 11.232 -5.128 1.00 0.00 N ATOM 1332 CA HIS A 85 -21.559 10.853 -5.007 1.00 0.00 C ATOM 1333 C HIS A 85 -22.411 12.108 -4.979 1.00 0.00 C ATOM 1334 O HIS A 85 -23.402 12.221 -5.673 1.00 0.00 O ATOM 1335 CB HIS A 85 -21.770 10.074 -3.712 1.00 0.00 C ATOM 1336 CG HIS A 85 -20.769 8.957 -3.635 1.00 0.00 C ATOM 1337 ND1 HIS A 85 -21.148 7.625 -3.573 1.00 0.00 N ATOM 1338 CD2 HIS A 85 -19.397 8.958 -3.610 1.00 0.00 C ATOM 1339 CE1 HIS A 85 -20.025 6.887 -3.514 1.00 0.00 C ATOM 1340 NE2 HIS A 85 -18.929 7.649 -3.534 1.00 0.00 N ATOM 0 H HIS A 85 -19.707 11.626 -4.285 1.00 0.00 H new ATOM 0 HA HIS A 85 -21.845 10.235 -5.858 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -21.659 10.737 -2.854 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -22.783 9.673 -3.676 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -18.775 9.840 -3.644 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -20.012 5.809 -3.457 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -17.958 7.339 -3.501 1.00 0.00 H new