USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=23 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 82 ASN : amide:sc= -7.17! C(o=-12!,f=-20!) USER MOD Set 1.2: A 83 HIS : no HD1:sc= -4.55! C(o=-12!,f=-9.3!) USER MOD Set 2.1: A 61 CYS SG : rot -170:sc= -0.102 USER MOD Set 2.2: A 80 HIS : no HE2:sc= -2.03! C(o=-5.7!,f=-17!) USER MOD Set 2.3: A 85 HIS : no HD1:sc= -3.58! C(o=-5.7!,f=-18!) USER MOD Set 3.1: A 14 TYR OH : rot 165:sc= 0 USER MOD Set 3.2: A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 53 CYS SG : rot -116:sc= -4.15! USER MOD Set 4.2: A 57 SER OG : rot -83:sc= 0.585 USER MOD Set 5.1: A 26 TYR OH : rot 110:sc= 0.305 USER MOD Set 5.2: A 52 GLN : amide:sc= -4.06! C(o=-3.8!,f=-4.9!) USER MOD Set 6.1: A 20 CYS SG : rot 138:sc= -3.37! USER MOD Set 6.2: A 22 HIS : no HE2:sc= -4.46! C(o=-8.3!,f=-30!) USER MOD Set 6.3: A 40 CYS SG : rot 15:sc= 1.72 USER MOD Set 6.4: A 43 CYS SG : rot 41:sc= -2.15! USER MOD Set 7.1: A 4 CYS SG : rot -165:sc= 1.34 USER MOD Set 7.2: A 7 CYS SG : rot 139:sc= -2.24! USER MOD Set 7.3: A 25 CYS SG : rot 54:sc= -5.22! USER MOD Set 7.4: A 28 CYS SG : rot -44:sc= -1.79! USER MOD Single : A 6 LYS NZ :NH3+ 164:sc= -0.979 (180deg=-1.41) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -177:sc= -3.3! (180deg=-3.69!) USER MOD Single : A 21 LYS NZ :NH3+ -125:sc= 0.34 (180deg=-0.0321) USER MOD Single : A 32 HIS : no HD1:sc= -2.33 X(o=-2.3,f=-2.7!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -156:sc= 0 (180deg=-0.204) USER MOD Single : A 44 SER OG : rot -48:sc= 0.0686! USER MOD Single : A 48 GLN : amide:sc= -0.0282 X(o=-0.028,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0337 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0877 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -3.31 K(o=-3.3,f=-0.4) USER MOD Single : A 78 GLN : amide:sc= -1.86 K(o=-1.9,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 37 N PHE A 3 -13.147 -10.380 5.096 1.00 0.00 N ATOM 38 CA PHE A 3 -13.054 -11.179 3.840 1.00 0.00 C ATOM 39 C PHE A 3 -12.536 -10.322 2.681 1.00 0.00 C ATOM 40 O PHE A 3 -13.256 -9.511 2.132 1.00 0.00 O ATOM 41 CB PHE A 3 -14.441 -11.723 3.490 1.00 0.00 C ATOM 42 CG PHE A 3 -14.331 -13.143 2.983 1.00 0.00 C ATOM 43 CD1 PHE A 3 -13.985 -14.176 3.862 1.00 0.00 C ATOM 44 CD2 PHE A 3 -14.588 -13.429 1.636 1.00 0.00 C ATOM 45 CE1 PHE A 3 -13.891 -15.492 3.395 1.00 0.00 C ATOM 46 CE2 PHE A 3 -14.496 -14.745 1.170 1.00 0.00 C ATOM 47 CZ PHE A 3 -14.148 -15.777 2.050 1.00 0.00 C ATOM 0 HA PHE A 3 -12.355 -12.000 3.999 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -15.085 -11.692 4.369 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -14.906 -11.093 2.732 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -13.790 -13.957 4.902 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -14.857 -12.633 0.957 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -13.620 -16.288 4.073 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -14.693 -14.965 0.131 1.00 0.00 H new ATOM 0 HZ PHE A 3 -14.078 -16.793 1.690 1.00 0.00 H new ATOM 57 N CYS A 4 -11.302 -10.504 2.292 1.00 0.00 N ATOM 58 CA CYS A 4 -10.752 -9.711 1.154 1.00 0.00 C ATOM 59 C CYS A 4 -11.759 -9.720 0.003 1.00 0.00 C ATOM 60 O CYS A 4 -12.473 -10.682 -0.203 1.00 0.00 O ATOM 61 CB CYS A 4 -9.437 -10.332 0.689 1.00 0.00 C ATOM 62 SG CYS A 4 -8.800 -9.406 -0.729 1.00 0.00 S ATOM 0 H CYS A 4 -10.651 -11.167 2.713 1.00 0.00 H new ATOM 0 HA CYS A 4 -10.572 -8.685 1.474 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -8.710 -10.320 1.501 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -9.592 -11.376 0.415 1.00 0.00 H new ATOM 0 HG CYS A 4 -7.870 -10.099 -1.317 1.00 0.00 H new ATOM 67 N ASP A 5 -11.837 -8.650 -0.738 1.00 0.00 N ATOM 68 CA ASP A 5 -12.812 -8.593 -1.859 1.00 0.00 C ATOM 69 C ASP A 5 -12.164 -9.078 -3.159 1.00 0.00 C ATOM 70 O ASP A 5 -12.839 -9.561 -4.046 1.00 0.00 O ATOM 71 CB ASP A 5 -13.290 -7.150 -2.040 1.00 0.00 C ATOM 72 CG ASP A 5 -13.947 -6.665 -0.747 1.00 0.00 C ATOM 73 OD1 ASP A 5 -13.340 -6.825 0.299 1.00 0.00 O ATOM 74 OD2 ASP A 5 -15.046 -6.141 -0.824 1.00 0.00 O ATOM 0 H ASP A 5 -11.267 -7.813 -0.615 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.657 -9.240 -1.624 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.449 -6.506 -2.297 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.000 -7.091 -2.865 1.00 0.00 H new ATOM 79 N LYS A 6 -10.869 -8.948 -3.291 1.00 0.00 N ATOM 80 CA LYS A 6 -10.211 -9.397 -4.549 1.00 0.00 C ATOM 81 C LYS A 6 -9.730 -10.839 -4.403 1.00 0.00 C ATOM 82 O LYS A 6 -9.817 -11.627 -5.324 1.00 0.00 O ATOM 83 CB LYS A 6 -9.016 -8.487 -4.849 1.00 0.00 C ATOM 84 CG LYS A 6 -9.283 -7.675 -6.121 1.00 0.00 C ATOM 85 CD LYS A 6 -10.439 -6.697 -5.884 1.00 0.00 C ATOM 86 CE LYS A 6 -11.431 -6.783 -7.045 1.00 0.00 C ATOM 87 NZ LYS A 6 -12.187 -8.065 -6.961 1.00 0.00 N ATOM 0 H LYS A 6 -10.245 -8.553 -2.587 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.929 -9.344 -5.367 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.840 -7.815 -4.009 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.114 -9.086 -4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.385 -7.127 -6.408 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.525 -8.345 -6.946 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.941 -6.932 -4.946 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.056 -5.680 -5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.120 -5.939 -7.011 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.901 -6.723 -7.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.030 -8.011 -7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.580 -8.847 -7.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.479 -8.232 -5.977 1.00 0.00 H new ATOM 101 N CYS A 7 -9.220 -11.192 -3.257 1.00 0.00 N ATOM 102 CA CYS A 7 -8.727 -12.583 -3.060 1.00 0.00 C ATOM 103 C CYS A 7 -9.835 -13.448 -2.459 1.00 0.00 C ATOM 104 O CYS A 7 -9.898 -14.640 -2.690 1.00 0.00 O ATOM 105 CB CYS A 7 -7.525 -12.563 -2.117 1.00 0.00 C ATOM 106 SG CYS A 7 -6.404 -11.234 -2.612 1.00 0.00 S ATOM 0 H CYS A 7 -9.123 -10.578 -2.448 1.00 0.00 H new ATOM 0 HA CYS A 7 -8.432 -13.001 -4.022 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.856 -12.412 -1.090 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.008 -13.522 -2.148 1.00 0.00 H new ATOM 0 HG CYS A 7 -5.956 -10.628 -1.553 1.00 0.00 H new ATOM 111 N GLY A 8 -10.710 -12.863 -1.691 1.00 0.00 N ATOM 112 CA GLY A 8 -11.811 -13.659 -1.079 1.00 0.00 C ATOM 113 C GLY A 8 -11.299 -14.369 0.177 1.00 0.00 C ATOM 114 O GLY A 8 -11.961 -15.228 0.724 1.00 0.00 O ATOM 0 H GLY A 8 -10.711 -11.869 -1.460 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.646 -13.007 -0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.185 -14.391 -1.795 1.00 0.00 H new ATOM 118 N LEU A 9 -10.130 -14.010 0.640 1.00 0.00 N ATOM 119 CA LEU A 9 -9.570 -14.651 1.867 1.00 0.00 C ATOM 120 C LEU A 9 -9.674 -13.657 3.026 1.00 0.00 C ATOM 121 O LEU A 9 -9.740 -12.464 2.810 1.00 0.00 O ATOM 122 CB LEU A 9 -8.099 -15.006 1.629 1.00 0.00 C ATOM 123 CG LEU A 9 -7.988 -16.472 1.208 1.00 0.00 C ATOM 124 CD1 LEU A 9 -8.802 -16.704 -0.066 1.00 0.00 C ATOM 125 CD2 LEU A 9 -6.520 -16.814 0.942 1.00 0.00 C ATOM 0 H LEU A 9 -9.536 -13.296 0.218 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.125 -15.559 2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.679 -14.362 0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.521 -14.833 2.537 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.374 -17.108 2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.721 -17.749 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.848 -16.460 0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.418 -16.069 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.438 -17.859 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.136 -16.176 0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.938 -16.651 1.849 1.00 0.00 H new ATOM 137 N PRO A 10 -9.687 -14.128 4.247 1.00 0.00 N ATOM 138 CA PRO A 10 -9.788 -13.237 5.433 1.00 0.00 C ATOM 139 C PRO A 10 -8.698 -12.167 5.429 1.00 0.00 C ATOM 140 O PRO A 10 -7.580 -12.404 5.018 1.00 0.00 O ATOM 141 CB PRO A 10 -9.639 -14.167 6.638 1.00 0.00 C ATOM 142 CG PRO A 10 -9.167 -15.480 6.096 1.00 0.00 C ATOM 143 CD PRO A 10 -9.605 -15.540 4.633 1.00 0.00 C ATOM 0 HA PRO A 10 -10.732 -12.693 5.446 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.925 -13.763 7.356 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.588 -14.281 7.162 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.083 -15.565 6.178 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.595 -16.308 6.662 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.886 -16.083 4.020 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.565 -16.044 4.521 1.00 0.00 H new ATOM 151 N ILE A 11 -9.029 -10.983 5.857 1.00 0.00 N ATOM 152 CA ILE A 11 -8.037 -9.879 5.852 1.00 0.00 C ATOM 153 C ILE A 11 -7.360 -9.754 7.213 1.00 0.00 C ATOM 154 O ILE A 11 -7.605 -8.828 7.959 1.00 0.00 O ATOM 155 CB ILE A 11 -8.767 -8.590 5.511 1.00 0.00 C ATOM 156 CG1 ILE A 11 -9.222 -8.681 4.062 1.00 0.00 C ATOM 157 CG2 ILE A 11 -7.837 -7.388 5.680 1.00 0.00 C ATOM 158 CD1 ILE A 11 -10.179 -7.538 3.763 1.00 0.00 C ATOM 0 H ILE A 11 -9.952 -10.732 6.212 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.262 -10.084 5.114 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.619 -8.459 6.178 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.361 -8.634 3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.712 -9.638 3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.376 -6.473 5.432 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.492 -7.337 6.713 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.979 -7.495 5.016 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.507 -7.600 2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -11.045 -7.606 4.422 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.672 -6.587 3.927 1.00 0.00 H new ATOM 170 N LYS A 12 -6.494 -10.671 7.526 1.00 0.00 N ATOM 171 CA LYS A 12 -5.776 -10.606 8.830 1.00 0.00 C ATOM 172 C LYS A 12 -5.270 -9.179 9.037 1.00 0.00 C ATOM 173 O LYS A 12 -5.286 -8.651 10.130 1.00 0.00 O ATOM 174 CB LYS A 12 -4.591 -11.576 8.815 1.00 0.00 C ATOM 175 CG LYS A 12 -3.959 -11.632 10.208 1.00 0.00 C ATOM 176 CD LYS A 12 -4.220 -13.003 10.833 1.00 0.00 C ATOM 177 CE LYS A 12 -3.429 -14.071 10.076 1.00 0.00 C ATOM 178 NZ LYS A 12 -2.383 -14.643 10.971 1.00 0.00 N ATOM 0 H LYS A 12 -6.250 -11.466 6.936 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.450 -10.884 9.641 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.924 -12.569 8.515 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.852 -11.253 8.082 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.886 -11.450 10.140 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.376 -10.847 10.840 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.929 -12.996 11.883 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.285 -13.233 10.799 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.099 -14.859 9.732 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.966 -13.636 9.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.845 -15.369 10.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.738 -13.887 11.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.835 -15.072 11.803 1.00 0.00 H new ATOM 192 N VAL A 13 -4.836 -8.549 7.981 1.00 0.00 N ATOM 193 CA VAL A 13 -4.343 -7.156 8.078 1.00 0.00 C ATOM 194 C VAL A 13 -4.699 -6.445 6.778 1.00 0.00 C ATOM 195 O VAL A 13 -4.645 -7.024 5.713 1.00 0.00 O ATOM 196 CB VAL A 13 -2.835 -7.153 8.244 1.00 0.00 C ATOM 197 CG1 VAL A 13 -2.402 -5.909 9.021 1.00 0.00 C ATOM 198 CG2 VAL A 13 -2.386 -8.408 8.998 1.00 0.00 C ATOM 0 H VAL A 13 -4.804 -8.950 7.044 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.795 -6.656 8.935 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.372 -7.144 7.257 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.318 -5.912 9.137 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.706 -5.015 8.476 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.873 -5.912 10.004 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.302 -8.396 9.112 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.854 -8.428 9.982 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.682 -9.295 8.437 1.00 0.00 H new ATOM 208 N TYR A 14 -5.068 -5.205 6.849 1.00 0.00 N ATOM 209 CA TYR A 14 -5.447 -4.485 5.605 1.00 0.00 C ATOM 210 C TYR A 14 -4.221 -4.221 4.745 1.00 0.00 C ATOM 211 O TYR A 14 -3.404 -3.371 5.047 1.00 0.00 O ATOM 212 CB TYR A 14 -6.098 -3.153 5.949 1.00 0.00 C ATOM 213 CG TYR A 14 -7.576 -3.345 6.199 1.00 0.00 C ATOM 214 CD1 TYR A 14 -8.013 -4.316 7.106 1.00 0.00 C ATOM 215 CD2 TYR A 14 -8.509 -2.543 5.531 1.00 0.00 C ATOM 216 CE1 TYR A 14 -9.381 -4.488 7.343 1.00 0.00 C ATOM 217 CE2 TYR A 14 -9.877 -2.712 5.770 1.00 0.00 C ATOM 218 CZ TYR A 14 -10.313 -3.685 6.676 1.00 0.00 C ATOM 219 OH TYR A 14 -11.662 -3.853 6.913 1.00 0.00 O ATOM 0 H TYR A 14 -5.125 -4.658 7.708 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.149 -5.111 5.054 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.624 -2.726 6.833 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.948 -2.445 5.134 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.294 -4.933 7.624 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.172 -1.793 4.830 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -9.718 -5.240 8.041 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.596 -2.092 5.256 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.154 -3.079 6.568 1.00 0.00 H new ATOM 229 N GLY A 15 -4.105 -4.921 3.658 1.00 0.00 N ATOM 230 CA GLY A 15 -2.958 -4.697 2.747 1.00 0.00 C ATOM 231 C GLY A 15 -3.191 -3.384 2.024 1.00 0.00 C ATOM 232 O GLY A 15 -3.656 -3.356 0.905 1.00 0.00 O ATOM 0 H GLY A 15 -4.760 -5.644 3.360 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.025 -4.663 3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.871 -5.516 2.033 1.00 0.00 H new ATOM 236 N ARG A 16 -2.887 -2.298 2.672 1.00 0.00 N ATOM 237 CA ARG A 16 -3.105 -0.963 2.049 1.00 0.00 C ATOM 238 C ARG A 16 -2.272 -0.840 0.780 1.00 0.00 C ATOM 239 O ARG A 16 -1.152 -1.302 0.718 1.00 0.00 O ATOM 240 CB ARG A 16 -2.669 0.122 3.032 1.00 0.00 C ATOM 241 CG ARG A 16 -3.329 1.462 2.665 1.00 0.00 C ATOM 242 CD ARG A 16 -4.746 1.573 3.259 1.00 0.00 C ATOM 243 NE ARG A 16 -4.871 2.848 4.027 1.00 0.00 N ATOM 244 CZ ARG A 16 -4.121 3.066 5.075 1.00 0.00 C ATOM 245 NH1 ARG A 16 -3.232 2.184 5.440 1.00 0.00 N ATOM 246 NH2 ARG A 16 -4.255 4.172 5.756 1.00 0.00 N ATOM 0 H ARG A 16 -2.494 -2.276 3.613 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.161 -0.849 1.802 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.946 -0.163 4.047 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.584 0.225 3.015 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.714 2.284 3.031 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.379 1.560 1.581 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.488 1.543 2.462 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.945 0.723 3.912 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.546 3.553 3.732 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.121 1.321 4.907 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.648 2.357 6.258 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.945 4.866 5.470 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.669 4.342 6.574 1.00 0.00 H new ATOM 260 N MET A 17 -2.817 -0.213 -0.226 1.00 0.00 N ATOM 261 CA MET A 17 -2.071 -0.041 -1.502 1.00 0.00 C ATOM 262 C MET A 17 -2.140 1.425 -1.938 1.00 0.00 C ATOM 263 O MET A 17 -3.212 1.989 -2.059 1.00 0.00 O ATOM 264 CB MET A 17 -2.712 -0.902 -2.588 1.00 0.00 C ATOM 265 CG MET A 17 -2.940 -2.318 -2.063 1.00 0.00 C ATOM 266 SD MET A 17 -2.704 -3.492 -3.417 1.00 0.00 S ATOM 267 CE MET A 17 -0.915 -3.650 -3.266 1.00 0.00 C ATOM 0 H MET A 17 -3.754 0.190 -0.217 1.00 0.00 H new ATOM 0 HA MET A 17 -1.033 -0.340 -1.353 1.00 0.00 H new ATOM 0 HB2 MET A 17 -3.660 -0.463 -2.899 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.070 -0.930 -3.468 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.246 -2.535 -1.251 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.947 -2.411 -1.655 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.539 -4.301 -4.055 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.454 -2.667 -3.357 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.668 -4.078 -2.294 1.00 0.00 H new ATOM 277 N ILE A 18 -1.008 2.036 -2.185 1.00 0.00 N ATOM 278 CA ILE A 18 -0.988 3.462 -2.628 1.00 0.00 C ATOM 279 C ILE A 18 -0.430 3.524 -4.057 1.00 0.00 C ATOM 280 O ILE A 18 0.259 2.620 -4.485 1.00 0.00 O ATOM 281 CB ILE A 18 -0.086 4.270 -1.688 1.00 0.00 C ATOM 282 CG1 ILE A 18 0.899 3.335 -1.005 1.00 0.00 C ATOM 283 CG2 ILE A 18 -0.929 4.964 -0.616 1.00 0.00 C ATOM 284 CD1 ILE A 18 1.911 4.156 -0.202 1.00 0.00 C ATOM 0 H ILE A 18 -0.089 1.603 -2.097 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.995 3.878 -2.606 1.00 0.00 H new ATOM 0 HB ILE A 18 0.449 5.019 -2.272 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.368 2.648 -0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.416 2.728 -1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.278 5.535 0.046 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.642 5.637 -1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.469 4.215 -0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.617 3.485 0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.451 4.825 -0.872 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.387 4.744 0.552 1.00 0.00 H new ATOM 296 N PRO A 19 -0.717 4.571 -4.799 1.00 0.00 N ATOM 297 CA PRO A 19 -1.557 5.716 -4.344 1.00 0.00 C ATOM 298 C PRO A 19 -3.055 5.429 -4.472 1.00 0.00 C ATOM 299 O PRO A 19 -3.885 6.241 -4.114 1.00 0.00 O ATOM 300 CB PRO A 19 -1.152 6.844 -5.290 1.00 0.00 C ATOM 301 CG PRO A 19 -0.748 6.166 -6.559 1.00 0.00 C ATOM 302 CD PRO A 19 -0.253 4.765 -6.183 1.00 0.00 C ATOM 0 HA PRO A 19 -1.400 5.943 -3.289 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.980 7.533 -5.458 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.330 7.428 -4.877 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.590 6.105 -7.248 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.037 6.729 -7.064 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.663 4.007 -6.850 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.833 4.696 -6.251 1.00 0.00 H new ATOM 310 N CYS A 20 -3.408 4.283 -4.982 1.00 0.00 N ATOM 311 CA CYS A 20 -4.851 3.952 -5.133 1.00 0.00 C ATOM 312 C CYS A 20 -5.535 4.035 -3.768 1.00 0.00 C ATOM 313 O CYS A 20 -6.678 4.432 -3.658 1.00 0.00 O ATOM 314 CB CYS A 20 -4.995 2.535 -5.691 1.00 0.00 C ATOM 315 SG CYS A 20 -6.715 2.003 -5.533 1.00 0.00 S ATOM 0 H CYS A 20 -2.760 3.562 -5.300 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.317 4.660 -5.819 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -4.689 2.511 -6.737 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.340 1.851 -5.152 1.00 0.00 H new ATOM 0 HG CYS A 20 -7.077 1.377 -6.613 1.00 0.00 H new ATOM 320 N LYS A 21 -4.841 3.655 -2.730 1.00 0.00 N ATOM 321 CA LYS A 21 -5.436 3.701 -1.367 1.00 0.00 C ATOM 322 C LYS A 21 -6.405 2.532 -1.216 1.00 0.00 C ATOM 323 O LYS A 21 -7.376 2.604 -0.488 1.00 0.00 O ATOM 324 CB LYS A 21 -6.181 5.025 -1.166 1.00 0.00 C ATOM 325 CG LYS A 21 -5.996 5.510 0.274 1.00 0.00 C ATOM 326 CD LYS A 21 -6.707 6.852 0.453 1.00 0.00 C ATOM 327 CE LYS A 21 -5.709 7.992 0.241 1.00 0.00 C ATOM 328 NZ LYS A 21 -6.448 9.278 0.092 1.00 0.00 N ATOM 0 H LYS A 21 -3.881 3.313 -2.770 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.648 3.628 -0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.805 5.774 -1.863 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.241 4.893 -1.382 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.400 4.776 0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.935 5.615 0.501 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.529 6.937 -0.258 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.141 6.915 1.451 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.023 8.050 1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.106 7.802 -0.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.171 9.736 -0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.471 9.091 0.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.218 9.905 0.889 1.00 0.00 H new ATOM 342 N HIS A 22 -6.145 1.454 -1.904 1.00 0.00 N ATOM 343 CA HIS A 22 -7.046 0.273 -1.810 1.00 0.00 C ATOM 344 C HIS A 22 -6.504 -0.687 -0.745 1.00 0.00 C ATOM 345 O HIS A 22 -5.368 -0.573 -0.331 1.00 0.00 O ATOM 346 CB HIS A 22 -7.093 -0.437 -3.163 1.00 0.00 C ATOM 347 CG HIS A 22 -8.440 -0.247 -3.806 1.00 0.00 C ATOM 348 ND1 HIS A 22 -8.578 0.017 -5.162 1.00 0.00 N ATOM 349 CD2 HIS A 22 -9.718 -0.287 -3.301 1.00 0.00 C ATOM 350 CE1 HIS A 22 -9.894 0.124 -5.425 1.00 0.00 C ATOM 351 NE2 HIS A 22 -10.629 -0.053 -4.325 1.00 0.00 N ATOM 0 H HIS A 22 -5.346 1.341 -2.528 1.00 0.00 H new ATOM 0 HA HIS A 22 -8.051 0.595 -1.536 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -6.313 -0.044 -3.815 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.892 -1.500 -3.031 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -7.819 0.113 -5.837 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.975 -0.472 -2.268 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.304 0.328 -6.403 1.00 0.00 H new ATOM 359 N VAL A 23 -7.307 -1.626 -0.291 1.00 0.00 N ATOM 360 CA VAL A 23 -6.826 -2.584 0.759 1.00 0.00 C ATOM 361 C VAL A 23 -7.149 -4.031 0.368 1.00 0.00 C ATOM 362 O VAL A 23 -8.150 -4.313 -0.259 1.00 0.00 O ATOM 363 CB VAL A 23 -7.509 -2.284 2.097 1.00 0.00 C ATOM 364 CG1 VAL A 23 -7.130 -0.883 2.579 1.00 0.00 C ATOM 365 CG2 VAL A 23 -9.025 -2.379 1.927 1.00 0.00 C ATOM 0 H VAL A 23 -8.268 -1.769 -0.601 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.746 -2.463 0.849 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.179 -3.012 2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.621 -0.680 3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.049 -0.823 2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.449 -0.146 1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.512 -2.166 2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.354 -1.655 1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.292 -3.384 1.600 1.00 0.00 H new ATOM 375 N PHE A 24 -6.308 -4.953 0.767 1.00 0.00 N ATOM 376 CA PHE A 24 -6.554 -6.398 0.463 1.00 0.00 C ATOM 377 C PHE A 24 -5.839 -7.241 1.511 1.00 0.00 C ATOM 378 O PHE A 24 -5.036 -6.739 2.263 1.00 0.00 O ATOM 379 CB PHE A 24 -5.997 -6.763 -0.909 1.00 0.00 C ATOM 380 CG PHE A 24 -6.465 -5.767 -1.930 1.00 0.00 C ATOM 381 CD1 PHE A 24 -7.769 -5.832 -2.425 1.00 0.00 C ATOM 382 CD2 PHE A 24 -5.587 -4.786 -2.385 1.00 0.00 C ATOM 383 CE1 PHE A 24 -8.198 -4.907 -3.382 1.00 0.00 C ATOM 384 CE2 PHE A 24 -6.010 -3.865 -3.342 1.00 0.00 C ATOM 385 CZ PHE A 24 -7.315 -3.922 -3.842 1.00 0.00 C ATOM 0 H PHE A 24 -5.455 -4.766 1.294 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.628 -6.583 0.472 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.908 -6.780 -0.877 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.323 -7.765 -1.189 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.445 -6.595 -2.069 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.580 -4.739 -1.997 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.207 -4.952 -3.765 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.329 -3.106 -3.698 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.642 -3.207 -4.582 1.00 0.00 H new ATOM 395 N CYS A 25 -6.099 -8.515 1.569 1.00 0.00 N ATOM 396 CA CYS A 25 -5.389 -9.338 2.585 1.00 0.00 C ATOM 397 C CYS A 25 -3.889 -9.068 2.463 1.00 0.00 C ATOM 398 O CYS A 25 -3.251 -9.459 1.507 1.00 0.00 O ATOM 399 CB CYS A 25 -5.669 -10.828 2.369 1.00 0.00 C ATOM 400 SG CYS A 25 -6.295 -11.112 0.698 1.00 0.00 S ATOM 0 H CYS A 25 -6.758 -9.014 0.971 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.743 -9.070 3.581 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.756 -11.403 2.525 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.396 -11.178 3.102 1.00 0.00 H new ATOM 0 HG CYS A 25 -5.472 -10.598 -0.167 1.00 0.00 H new ATOM 405 N TYR A 26 -3.328 -8.389 3.425 1.00 0.00 N ATOM 406 CA TYR A 26 -1.869 -8.073 3.370 1.00 0.00 C ATOM 407 C TYR A 26 -1.083 -9.327 3.005 1.00 0.00 C ATOM 408 O TYR A 26 0.029 -9.253 2.531 1.00 0.00 O ATOM 409 CB TYR A 26 -1.426 -7.551 4.737 1.00 0.00 C ATOM 410 CG TYR A 26 0.045 -7.170 4.734 1.00 0.00 C ATOM 411 CD1 TYR A 26 0.551 -6.238 3.810 1.00 0.00 C ATOM 412 CD2 TYR A 26 0.905 -7.743 5.680 1.00 0.00 C ATOM 413 CE1 TYR A 26 1.905 -5.889 3.837 1.00 0.00 C ATOM 414 CE2 TYR A 26 2.260 -7.393 5.703 1.00 0.00 C ATOM 415 CZ TYR A 26 2.759 -6.466 4.782 1.00 0.00 C ATOM 416 OH TYR A 26 4.095 -6.121 4.806 1.00 0.00 O ATOM 0 H TYR A 26 -3.816 -8.038 4.249 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.681 -7.313 2.611 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.028 -6.684 5.010 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.604 -8.314 5.495 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.107 -5.791 3.079 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.521 -8.457 6.394 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.292 -5.173 3.127 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.920 -7.839 6.432 1.00 0.00 H new ATOM 0 HH TYR A 26 4.281 -5.590 5.608 1.00 0.00 H new ATOM 426 N ASP A 27 -1.653 -10.478 3.198 1.00 0.00 N ATOM 427 CA ASP A 27 -0.925 -11.722 2.837 1.00 0.00 C ATOM 428 C ASP A 27 -0.945 -11.856 1.322 1.00 0.00 C ATOM 429 O ASP A 27 0.001 -12.306 0.707 1.00 0.00 O ATOM 430 CB ASP A 27 -1.610 -12.932 3.477 1.00 0.00 C ATOM 431 CG ASP A 27 -0.666 -13.577 4.491 1.00 0.00 C ATOM 432 OD1 ASP A 27 -0.045 -12.843 5.244 1.00 0.00 O ATOM 433 OD2 ASP A 27 -0.578 -14.794 4.500 1.00 0.00 O ATOM 0 H ASP A 27 -2.586 -10.613 3.588 1.00 0.00 H new ATOM 0 HA ASP A 27 0.102 -11.677 3.199 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.532 -12.623 3.969 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.885 -13.655 2.709 1.00 0.00 H new ATOM 438 N CYS A 28 -2.020 -11.450 0.714 1.00 0.00 N ATOM 439 CA CYS A 28 -2.110 -11.527 -0.760 1.00 0.00 C ATOM 440 C CYS A 28 -1.413 -10.315 -1.355 1.00 0.00 C ATOM 441 O CYS A 28 -0.913 -10.352 -2.459 1.00 0.00 O ATOM 442 CB CYS A 28 -3.575 -11.522 -1.187 1.00 0.00 C ATOM 443 SG CYS A 28 -4.205 -9.828 -1.091 1.00 0.00 S ATOM 0 H CYS A 28 -2.843 -11.067 1.180 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.636 -12.444 -1.110 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.673 -11.904 -2.203 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.158 -12.179 -0.542 1.00 0.00 H new ATOM 0 HG CYS A 28 -3.805 -9.279 0.017 1.00 0.00 H new ATOM 448 N ALA A 29 -1.368 -9.234 -0.628 1.00 0.00 N ATOM 449 CA ALA A 29 -0.696 -8.031 -1.155 1.00 0.00 C ATOM 450 C ALA A 29 0.801 -8.313 -1.255 1.00 0.00 C ATOM 451 O ALA A 29 1.466 -7.891 -2.185 1.00 0.00 O ATOM 452 CB ALA A 29 -0.973 -6.854 -0.209 1.00 0.00 C ATOM 0 H ALA A 29 -1.769 -9.139 0.305 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.072 -7.776 -2.146 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.481 -5.959 -0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.047 -6.680 -0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.588 -7.087 0.784 1.00 0.00 H new ATOM 458 N ILE A 30 1.341 -9.042 -0.315 1.00 0.00 N ATOM 459 CA ILE A 30 2.786 -9.355 -0.372 1.00 0.00 C ATOM 460 C ILE A 30 3.014 -10.548 -1.287 1.00 0.00 C ATOM 461 O ILE A 30 4.006 -10.626 -1.982 1.00 0.00 O ATOM 462 CB ILE A 30 3.289 -9.663 1.034 1.00 0.00 C ATOM 463 CG1 ILE A 30 2.619 -10.934 1.579 1.00 0.00 C ATOM 464 CG2 ILE A 30 2.943 -8.482 1.930 1.00 0.00 C ATOM 465 CD1 ILE A 30 3.123 -11.215 2.998 1.00 0.00 C ATOM 0 H ILE A 30 0.841 -9.430 0.485 1.00 0.00 H new ATOM 0 HA ILE A 30 3.334 -8.500 -0.768 1.00 0.00 H new ATOM 0 HB ILE A 30 4.366 -9.826 1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.536 -10.812 1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.841 -11.781 0.930 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.293 -8.679 2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.425 -7.582 1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.863 -8.338 1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.646 -12.117 3.382 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.204 -11.356 2.979 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.878 -10.372 3.645 1.00 0.00 H new ATOM 477 N LEU A 31 2.103 -11.482 -1.306 1.00 0.00 N ATOM 478 CA LEU A 31 2.297 -12.655 -2.196 1.00 0.00 C ATOM 479 C LEU A 31 2.052 -12.222 -3.639 1.00 0.00 C ATOM 480 O LEU A 31 2.539 -12.833 -4.568 1.00 0.00 O ATOM 481 CB LEU A 31 1.333 -13.778 -1.814 1.00 0.00 C ATOM 482 CG LEU A 31 1.936 -14.604 -0.677 1.00 0.00 C ATOM 483 CD1 LEU A 31 0.814 -15.256 0.132 1.00 0.00 C ATOM 484 CD2 LEU A 31 2.841 -15.693 -1.259 1.00 0.00 C ATOM 0 H LEU A 31 1.246 -11.483 -0.752 1.00 0.00 H new ATOM 0 HA LEU A 31 3.315 -13.029 -2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.375 -13.360 -1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.140 -14.415 -2.677 1.00 0.00 H new ATOM 0 HG LEU A 31 2.522 -13.952 -0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.244 -15.845 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.169 -14.482 0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.228 -15.906 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.270 -16.281 -0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.256 -16.344 -1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.642 -15.231 -1.835 1.00 0.00 H new ATOM 496 N HIS A 32 1.314 -11.160 -3.839 1.00 0.00 N ATOM 497 CA HIS A 32 1.069 -10.695 -5.229 1.00 0.00 C ATOM 498 C HIS A 32 2.291 -9.915 -5.709 1.00 0.00 C ATOM 499 O HIS A 32 2.746 -10.077 -6.823 1.00 0.00 O ATOM 500 CB HIS A 32 -0.166 -9.793 -5.268 1.00 0.00 C ATOM 501 CG HIS A 32 -1.403 -10.645 -5.358 1.00 0.00 C ATOM 502 ND1 HIS A 32 -2.409 -10.394 -6.281 1.00 0.00 N ATOM 503 CD2 HIS A 32 -1.809 -11.752 -4.653 1.00 0.00 C ATOM 504 CE1 HIS A 32 -3.363 -11.327 -6.107 1.00 0.00 C ATOM 505 NE2 HIS A 32 -3.044 -12.176 -5.129 1.00 0.00 N ATOM 0 H HIS A 32 0.876 -10.602 -3.106 1.00 0.00 H new ATOM 0 HA HIS A 32 0.897 -11.553 -5.878 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -0.204 -9.170 -4.374 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -0.112 -9.120 -6.123 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -1.255 -12.220 -3.853 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.273 -11.382 -6.686 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -3.592 -12.971 -4.799 1.00 0.00 H new ATOM 514 N GLU A 33 2.832 -9.076 -4.872 1.00 0.00 N ATOM 515 CA GLU A 33 4.031 -8.292 -5.283 1.00 0.00 C ATOM 516 C GLU A 33 5.262 -9.200 -5.277 1.00 0.00 C ATOM 517 O GLU A 33 6.195 -8.997 -6.029 1.00 0.00 O ATOM 518 CB GLU A 33 4.234 -7.122 -4.316 1.00 0.00 C ATOM 519 CG GLU A 33 5.141 -7.541 -3.153 1.00 0.00 C ATOM 520 CD GLU A 33 5.022 -6.517 -2.023 1.00 0.00 C ATOM 521 OE1 GLU A 33 4.893 -5.342 -2.325 1.00 0.00 O ATOM 522 OE2 GLU A 33 5.063 -6.925 -0.874 1.00 0.00 O ATOM 0 H GLU A 33 2.498 -8.899 -3.925 1.00 0.00 H new ATOM 0 HA GLU A 33 3.884 -7.899 -6.289 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.676 -6.278 -4.845 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.270 -6.788 -3.932 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.857 -8.530 -2.794 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.175 -7.609 -3.490 1.00 0.00 H new ATOM 529 N LYS A 34 5.277 -10.204 -4.441 1.00 0.00 N ATOM 530 CA LYS A 34 6.451 -11.116 -4.404 1.00 0.00 C ATOM 531 C LYS A 34 6.354 -12.095 -5.570 1.00 0.00 C ATOM 532 O LYS A 34 7.349 -12.548 -6.100 1.00 0.00 O ATOM 533 CB LYS A 34 6.464 -11.892 -3.086 1.00 0.00 C ATOM 534 CG LYS A 34 6.951 -10.981 -1.958 1.00 0.00 C ATOM 535 CD LYS A 34 6.629 -11.622 -0.606 1.00 0.00 C ATOM 536 CE LYS A 34 7.664 -11.179 0.429 1.00 0.00 C ATOM 537 NZ LYS A 34 7.121 -11.398 1.799 1.00 0.00 N ATOM 0 H LYS A 34 4.529 -10.429 -3.785 1.00 0.00 H new ATOM 0 HA LYS A 34 7.369 -10.534 -4.483 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.464 -12.263 -2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.115 -12.762 -3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.025 -10.817 -2.047 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.472 -10.005 -2.033 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.629 -11.332 -0.283 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.632 -12.708 -0.697 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.588 -11.741 0.298 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.909 -10.126 0.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.824 -11.097 2.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.250 -10.843 1.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.909 -12.408 1.931 1.00 0.00 H new ATOM 614 N MET A 39 1.065 -5.055 -8.884 1.00 0.00 N ATOM 615 CA MET A 39 -0.045 -4.194 -9.374 1.00 0.00 C ATOM 616 C MET A 39 -1.263 -4.365 -8.463 1.00 0.00 C ATOM 617 O MET A 39 -1.644 -5.468 -8.128 1.00 0.00 O ATOM 618 CB MET A 39 -0.408 -4.599 -10.802 1.00 0.00 C ATOM 619 CG MET A 39 -0.085 -3.443 -11.750 1.00 0.00 C ATOM 620 SD MET A 39 -0.491 -3.921 -13.447 1.00 0.00 S ATOM 621 CE MET A 39 -0.098 -2.337 -14.229 1.00 0.00 C ATOM 0 HA MET A 39 0.269 -3.150 -9.363 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.149 -5.490 -11.093 1.00 0.00 H new ATOM 0 HB3 MET A 39 -1.467 -4.851 -10.863 1.00 0.00 H new ATOM 0 HG2 MET A 39 -0.652 -2.556 -11.465 1.00 0.00 H new ATOM 0 HG3 MET A 39 0.971 -3.183 -11.677 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.651 -2.246 -15.164 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.377 -1.522 -13.561 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.971 -2.288 -14.434 1.00 0.00 H new ATOM 631 N CYS A 40 -1.877 -3.281 -8.062 1.00 0.00 N ATOM 632 CA CYS A 40 -3.070 -3.375 -7.174 1.00 0.00 C ATOM 633 C CYS A 40 -4.016 -4.467 -7.705 1.00 0.00 C ATOM 634 O CYS A 40 -4.656 -4.278 -8.717 1.00 0.00 O ATOM 635 CB CYS A 40 -3.806 -2.031 -7.184 1.00 0.00 C ATOM 636 SG CYS A 40 -5.308 -2.160 -6.188 1.00 0.00 S ATOM 0 H CYS A 40 -1.600 -2.332 -8.314 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.755 -3.622 -6.160 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.160 -1.248 -6.788 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.058 -1.750 -8.207 1.00 0.00 H new ATOM 0 HG CYS A 40 -5.252 -3.232 -5.455 1.00 0.00 H new ATOM 641 N PRO A 41 -4.117 -5.602 -7.048 1.00 0.00 N ATOM 642 CA PRO A 41 -5.018 -6.690 -7.519 1.00 0.00 C ATOM 643 C PRO A 41 -6.430 -6.174 -7.798 1.00 0.00 C ATOM 644 O PRO A 41 -7.214 -6.823 -8.461 1.00 0.00 O ATOM 645 CB PRO A 41 -5.038 -7.690 -6.361 1.00 0.00 C ATOM 646 CG PRO A 41 -3.775 -7.450 -5.606 1.00 0.00 C ATOM 647 CD PRO A 41 -3.410 -5.981 -5.810 1.00 0.00 C ATOM 0 HA PRO A 41 -4.670 -7.126 -8.455 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.910 -7.537 -5.725 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.087 -8.715 -6.728 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.910 -7.671 -4.547 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.979 -8.100 -5.969 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.730 -5.370 -4.966 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.333 -5.848 -5.910 1.00 0.00 H new ATOM 655 N GLY A 42 -6.761 -5.015 -7.287 1.00 0.00 N ATOM 656 CA GLY A 42 -8.130 -4.464 -7.515 1.00 0.00 C ATOM 657 C GLY A 42 -8.113 -3.447 -8.659 1.00 0.00 C ATOM 658 O GLY A 42 -8.912 -3.519 -9.571 1.00 0.00 O ATOM 0 H GLY A 42 -6.145 -4.429 -6.724 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.820 -5.274 -7.751 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.494 -3.990 -6.604 1.00 0.00 H new ATOM 662 N CYS A 43 -7.223 -2.492 -8.616 1.00 0.00 N ATOM 663 CA CYS A 43 -7.180 -1.470 -9.700 1.00 0.00 C ATOM 664 C CYS A 43 -6.200 -1.906 -10.789 1.00 0.00 C ATOM 665 O CYS A 43 -6.355 -1.567 -11.945 1.00 0.00 O ATOM 666 CB CYS A 43 -6.736 -0.127 -9.120 1.00 0.00 C ATOM 667 SG CYS A 43 -7.883 0.373 -7.813 1.00 0.00 S ATOM 0 H CYS A 43 -6.527 -2.376 -7.880 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.175 -1.368 -10.134 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -5.725 -0.207 -8.720 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -6.709 0.629 -9.904 1.00 0.00 H new ATOM 0 HG CYS A 43 -8.198 -0.662 -7.093 1.00 0.00 H new ATOM 672 N SER A 44 -5.195 -2.655 -10.428 1.00 0.00 N ATOM 673 CA SER A 44 -4.199 -3.120 -11.434 1.00 0.00 C ATOM 674 C SER A 44 -3.265 -1.963 -11.804 1.00 0.00 C ATOM 675 O SER A 44 -2.989 -1.723 -12.963 1.00 0.00 O ATOM 676 CB SER A 44 -4.928 -3.631 -12.680 1.00 0.00 C ATOM 677 OG SER A 44 -5.058 -2.576 -13.626 1.00 0.00 O ATOM 0 H SER A 44 -5.020 -2.967 -9.473 1.00 0.00 H new ATOM 0 HA SER A 44 -3.607 -3.932 -11.013 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.377 -4.462 -13.121 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.912 -4.011 -12.407 1.00 0.00 H new ATOM 0 HG SER A 44 -5.396 -1.774 -13.177 1.00 0.00 H new ATOM 683 N ASP A 45 -2.771 -1.255 -10.819 1.00 0.00 N ATOM 684 CA ASP A 45 -1.848 -0.116 -11.088 1.00 0.00 C ATOM 685 C ASP A 45 -0.590 -0.279 -10.230 1.00 0.00 C ATOM 686 O ASP A 45 -0.596 -0.990 -9.245 1.00 0.00 O ATOM 687 CB ASP A 45 -2.544 1.199 -10.731 1.00 0.00 C ATOM 688 CG ASP A 45 -2.894 1.957 -12.013 1.00 0.00 C ATOM 689 OD1 ASP A 45 -3.368 1.323 -12.941 1.00 0.00 O ATOM 690 OD2 ASP A 45 -2.682 3.157 -12.045 1.00 0.00 O ATOM 0 H ASP A 45 -2.971 -1.421 -9.833 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.574 -0.104 -12.143 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.448 0.999 -10.156 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.894 1.808 -10.102 1.00 0.00 H new ATOM 695 N PRO A 46 0.481 0.371 -10.602 1.00 0.00 N ATOM 696 CA PRO A 46 1.770 0.289 -9.854 1.00 0.00 C ATOM 697 C PRO A 46 1.615 0.703 -8.388 1.00 0.00 C ATOM 698 O PRO A 46 1.687 1.868 -8.052 1.00 0.00 O ATOM 699 CB PRO A 46 2.703 1.261 -10.589 1.00 0.00 C ATOM 700 CG PRO A 46 1.828 2.090 -11.473 1.00 0.00 C ATOM 701 CD PRO A 46 0.585 1.255 -11.768 1.00 0.00 C ATOM 0 HA PRO A 46 2.150 -0.732 -9.830 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.248 1.887 -9.882 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.446 0.720 -11.174 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.558 3.026 -10.983 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.347 2.351 -12.395 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.301 1.880 -11.878 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.692 0.688 -12.693 1.00 0.00 H new ATOM 709 N VAL A 47 1.408 -0.243 -7.512 1.00 0.00 N ATOM 710 CA VAL A 47 1.254 0.101 -6.071 1.00 0.00 C ATOM 711 C VAL A 47 2.531 0.806 -5.602 1.00 0.00 C ATOM 712 O VAL A 47 3.579 0.203 -5.482 1.00 0.00 O ATOM 713 CB VAL A 47 1.005 -1.173 -5.262 1.00 0.00 C ATOM 714 CG1 VAL A 47 -0.153 -1.950 -5.901 1.00 0.00 C ATOM 715 CG2 VAL A 47 2.263 -2.041 -5.250 1.00 0.00 C ATOM 0 H VAL A 47 1.339 -1.237 -7.732 1.00 0.00 H new ATOM 0 HA VAL A 47 0.402 0.765 -5.925 1.00 0.00 H new ATOM 0 HB VAL A 47 0.752 -0.909 -4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.338 -2.861 -5.331 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.051 -1.332 -5.899 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.106 -2.211 -6.927 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.075 -2.946 -4.671 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.528 -2.312 -6.272 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.084 -1.485 -4.798 1.00 0.00 H new ATOM 725 N GLN A 48 2.457 2.087 -5.350 1.00 0.00 N ATOM 726 CA GLN A 48 3.668 2.830 -4.905 1.00 0.00 C ATOM 727 C GLN A 48 4.326 2.038 -3.792 1.00 0.00 C ATOM 728 O GLN A 48 5.479 1.664 -3.870 1.00 0.00 O ATOM 729 CB GLN A 48 3.264 4.213 -4.386 1.00 0.00 C ATOM 730 CG GLN A 48 4.464 4.873 -3.703 1.00 0.00 C ATOM 731 CD GLN A 48 4.485 6.365 -4.038 1.00 0.00 C ATOM 732 OE1 GLN A 48 4.288 7.197 -3.174 1.00 0.00 O ATOM 733 NE2 GLN A 48 4.715 6.743 -5.266 1.00 0.00 N ATOM 0 H GLN A 48 1.610 2.649 -5.434 1.00 0.00 H new ATOM 0 HA GLN A 48 4.360 2.957 -5.738 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.914 4.834 -5.210 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.437 4.122 -3.682 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.404 4.733 -2.624 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.389 4.402 -4.035 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.880 6.046 -5.992 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.729 7.736 -5.500 1.00 0.00 H new ATOM 742 N ARG A 49 3.587 1.761 -2.764 1.00 0.00 N ATOM 743 CA ARG A 49 4.153 0.968 -1.651 1.00 0.00 C ATOM 744 C ARG A 49 3.010 0.379 -0.830 1.00 0.00 C ATOM 745 O ARG A 49 2.070 1.050 -0.469 1.00 0.00 O ATOM 746 CB ARG A 49 5.067 1.859 -0.792 1.00 0.00 C ATOM 747 CG ARG A 49 4.633 1.855 0.681 1.00 0.00 C ATOM 748 CD ARG A 49 5.614 2.702 1.495 1.00 0.00 C ATOM 749 NE ARG A 49 6.837 1.903 1.783 1.00 0.00 N ATOM 750 CZ ARG A 49 7.800 2.419 2.498 1.00 0.00 C ATOM 751 NH1 ARG A 49 7.690 3.634 2.961 1.00 0.00 N ATOM 752 NH2 ARG A 49 8.871 1.719 2.750 1.00 0.00 N ATOM 0 H ARG A 49 2.616 2.049 -2.646 1.00 0.00 H new ATOM 0 HA ARG A 49 4.758 0.148 -2.038 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.096 1.509 -0.870 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.047 2.879 -1.176 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.623 2.254 0.776 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.610 0.835 1.063 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.877 3.604 0.943 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.148 3.023 2.427 1.00 0.00 H new ATOM 0 HE ARG A 49 6.922 0.953 1.422 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.852 4.181 2.764 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.442 4.037 3.520 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.956 0.769 2.389 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.624 2.122 3.308 1.00 0.00 H new ATOM 766 N ILE A 50 3.081 -0.876 -0.531 1.00 0.00 N ATOM 767 CA ILE A 50 1.994 -1.497 0.257 1.00 0.00 C ATOM 768 C ILE A 50 2.239 -1.259 1.731 1.00 0.00 C ATOM 769 O ILE A 50 3.364 -1.240 2.191 1.00 0.00 O ATOM 770 CB ILE A 50 1.946 -3.000 0.017 1.00 0.00 C ATOM 771 CG1 ILE A 50 2.324 -3.303 -1.433 1.00 0.00 C ATOM 772 CG2 ILE A 50 0.535 -3.511 0.303 1.00 0.00 C ATOM 773 CD1 ILE A 50 2.280 -4.813 -1.675 1.00 0.00 C ATOM 0 H ILE A 50 3.843 -1.500 -0.797 1.00 0.00 H new ATOM 0 HA ILE A 50 1.050 -1.050 -0.053 1.00 0.00 H new ATOM 0 HB ILE A 50 2.654 -3.499 0.679 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.637 -2.797 -2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.322 -2.920 -1.646 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.496 -4.587 0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.274 -3.298 1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.173 -3.013 -0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.550 -5.024 -2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.985 -5.309 -1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.274 -5.184 -1.480 1.00 0.00 H new ATOM 785 N GLU A 51 1.191 -1.083 2.469 1.00 0.00 N ATOM 786 CA GLU A 51 1.345 -0.852 3.932 1.00 0.00 C ATOM 787 C GLU A 51 0.287 -1.628 4.704 1.00 0.00 C ATOM 788 O GLU A 51 -0.754 -1.982 4.186 1.00 0.00 O ATOM 789 CB GLU A 51 1.240 0.641 4.233 1.00 0.00 C ATOM 790 CG GLU A 51 2.045 1.401 3.185 1.00 0.00 C ATOM 791 CD GLU A 51 2.086 2.888 3.544 1.00 0.00 C ATOM 792 OE1 GLU A 51 1.024 3.468 3.702 1.00 0.00 O ATOM 793 OE2 GLU A 51 3.178 3.421 3.654 1.00 0.00 O ATOM 0 H GLU A 51 0.230 -1.088 2.128 1.00 0.00 H new ATOM 0 HA GLU A 51 2.327 -1.206 4.247 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.198 0.959 4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.621 0.854 5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.058 1.002 3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.597 1.267 2.201 1.00 0.00 H new ATOM 800 N GLN A 52 0.566 -1.904 5.943 1.00 0.00 N ATOM 801 CA GLN A 52 -0.391 -2.676 6.780 1.00 0.00 C ATOM 802 C GLN A 52 -1.261 -1.721 7.596 1.00 0.00 C ATOM 803 O GLN A 52 -0.773 -0.777 8.183 1.00 0.00 O ATOM 804 CB GLN A 52 0.389 -3.582 7.734 1.00 0.00 C ATOM 805 CG GLN A 52 0.943 -4.782 6.966 1.00 0.00 C ATOM 806 CD GLN A 52 2.216 -5.281 7.653 1.00 0.00 C ATOM 807 OE1 GLN A 52 3.306 -4.864 7.315 1.00 0.00 O ATOM 808 NE2 GLN A 52 2.123 -6.162 8.610 1.00 0.00 N ATOM 0 H GLN A 52 1.425 -1.625 6.418 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.028 -3.277 6.131 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.205 -3.025 8.195 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.260 -3.922 8.541 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.200 -5.579 6.929 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.159 -4.500 5.936 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.208 -6.512 8.894 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.965 -6.501 9.075 1.00 0.00 H new ATOM 817 N CYS A 53 -2.546 -1.966 7.632 1.00 0.00 N ATOM 818 CA CYS A 53 -3.461 -1.078 8.409 1.00 0.00 C ATOM 819 C CYS A 53 -4.415 -1.924 9.259 1.00 0.00 C ATOM 820 O CYS A 53 -4.710 -3.058 8.939 1.00 0.00 O ATOM 821 CB CYS A 53 -4.271 -0.209 7.444 1.00 0.00 C ATOM 822 SG CYS A 53 -4.154 1.525 7.953 1.00 0.00 S ATOM 0 H CYS A 53 -3.001 -2.745 7.156 1.00 0.00 H new ATOM 0 HA CYS A 53 -2.868 -0.441 9.065 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -3.895 -0.327 6.428 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.313 -0.528 7.437 1.00 0.00 H new ATOM 0 HG CYS A 53 -5.330 1.955 8.302 1.00 0.00 H new ATOM 827 N THR A 54 -4.887 -1.382 10.349 1.00 0.00 N ATOM 828 CA THR A 54 -5.812 -2.152 11.227 1.00 0.00 C ATOM 829 C THR A 54 -7.245 -2.040 10.696 1.00 0.00 C ATOM 830 O THR A 54 -7.577 -1.136 9.957 1.00 0.00 O ATOM 831 CB THR A 54 -5.753 -1.588 12.649 1.00 0.00 C ATOM 832 OG1 THR A 54 -4.932 -0.428 12.664 1.00 0.00 O ATOM 833 CG2 THR A 54 -5.169 -2.640 13.593 1.00 0.00 C ATOM 0 H THR A 54 -4.671 -0.438 10.669 1.00 0.00 H new ATOM 0 HA THR A 54 -5.511 -3.199 11.235 1.00 0.00 H new ATOM 0 HB THR A 54 -6.759 -1.326 12.978 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.895 -0.065 13.574 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.127 -2.238 14.605 1.00 0.00 H new ATOM 0 HG22 THR A 54 -5.799 -3.529 13.582 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.163 -2.904 13.266 1.00 0.00 H new ATOM 841 N ARG A 55 -8.092 -2.961 11.062 1.00 0.00 N ATOM 842 CA ARG A 55 -9.501 -2.922 10.576 1.00 0.00 C ATOM 843 C ARG A 55 -10.093 -1.525 10.766 1.00 0.00 C ATOM 844 O ARG A 55 -10.289 -0.793 9.816 1.00 0.00 O ATOM 845 CB ARG A 55 -10.339 -3.939 11.354 1.00 0.00 C ATOM 846 CG ARG A 55 -11.811 -3.787 10.969 1.00 0.00 C ATOM 847 CD ARG A 55 -12.491 -5.158 10.992 1.00 0.00 C ATOM 848 NE ARG A 55 -12.032 -5.918 12.188 1.00 0.00 N ATOM 849 CZ ARG A 55 -12.444 -5.573 13.377 1.00 0.00 C ATOM 850 NH1 ARG A 55 -13.258 -4.563 13.517 1.00 0.00 N ATOM 851 NH2 ARG A 55 -12.042 -6.238 14.425 1.00 0.00 N ATOM 0 H ARG A 55 -7.869 -3.742 11.679 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.512 -3.169 9.514 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.997 -4.951 11.136 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.215 -3.785 12.426 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.311 -3.110 11.662 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.894 -3.345 9.976 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.574 -5.039 11.017 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.252 -5.710 10.083 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.396 -6.708 12.078 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.572 -4.044 12.697 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.580 -4.293 14.446 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.406 -7.028 14.315 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.364 -5.968 15.355 1.00 0.00 H new ATOM 865 N GLY A 56 -10.392 -1.153 11.976 1.00 0.00 N ATOM 866 CA GLY A 56 -10.987 0.192 12.213 1.00 0.00 C ATOM 867 C GLY A 56 -9.959 1.288 11.918 1.00 0.00 C ATOM 868 O GLY A 56 -10.003 2.355 12.495 1.00 0.00 O ATOM 0 H GLY A 56 -10.251 -1.720 12.812 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.864 0.326 11.579 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.326 0.270 13.246 1.00 0.00 H new ATOM 872 N SER A 57 -9.031 1.042 11.029 1.00 0.00 N ATOM 873 CA SER A 57 -8.015 2.088 10.724 1.00 0.00 C ATOM 874 C SER A 57 -8.515 2.970 9.582 1.00 0.00 C ATOM 875 O SER A 57 -8.031 4.066 9.380 1.00 0.00 O ATOM 876 CB SER A 57 -6.699 1.429 10.312 1.00 0.00 C ATOM 877 OG SER A 57 -6.832 0.891 9.003 1.00 0.00 O ATOM 0 H SER A 57 -8.935 0.171 10.507 1.00 0.00 H new ATOM 0 HA SER A 57 -7.853 2.696 11.614 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.890 2.159 10.337 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.438 0.640 11.017 1.00 0.00 H new ATOM 0 HG SER A 57 -7.259 0.010 9.053 1.00 0.00 H new ATOM 883 N LEU A 58 -9.471 2.489 8.828 1.00 0.00 N ATOM 884 CA LEU A 58 -10.006 3.283 7.682 1.00 0.00 C ATOM 885 C LEU A 58 -11.496 3.551 7.883 1.00 0.00 C ATOM 886 O LEU A 58 -12.109 3.042 8.801 1.00 0.00 O ATOM 887 CB LEU A 58 -9.819 2.510 6.376 1.00 0.00 C ATOM 888 CG LEU A 58 -8.486 1.757 6.383 1.00 0.00 C ATOM 889 CD1 LEU A 58 -8.349 0.978 5.076 1.00 0.00 C ATOM 890 CD2 LEU A 58 -7.327 2.751 6.499 1.00 0.00 C ATOM 0 H LEU A 58 -9.906 1.576 8.958 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.464 4.227 7.633 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.640 1.806 6.243 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.850 3.199 5.532 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.460 1.074 7.232 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.402 0.438 5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.172 0.268 4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.375 1.671 4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.382 2.209 6.503 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.349 3.436 5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.425 3.317 7.425 1.00 0.00 H new ATOM 902 N PHE A 59 -12.076 4.348 7.020 1.00 0.00 N ATOM 903 CA PHE A 59 -13.530 4.666 7.133 1.00 0.00 C ATOM 904 C PHE A 59 -14.260 4.128 5.900 1.00 0.00 C ATOM 905 O PHE A 59 -13.970 4.503 4.785 1.00 0.00 O ATOM 906 CB PHE A 59 -13.713 6.183 7.222 1.00 0.00 C ATOM 907 CG PHE A 59 -12.970 6.709 8.428 1.00 0.00 C ATOM 908 CD1 PHE A 59 -11.572 6.777 8.413 1.00 0.00 C ATOM 909 CD2 PHE A 59 -13.680 7.126 9.561 1.00 0.00 C ATOM 910 CE1 PHE A 59 -10.883 7.263 9.532 1.00 0.00 C ATOM 911 CE2 PHE A 59 -12.991 7.613 10.678 1.00 0.00 C ATOM 912 CZ PHE A 59 -11.592 7.681 10.664 1.00 0.00 C ATOM 0 H PHE A 59 -11.599 4.795 6.237 1.00 0.00 H new ATOM 0 HA PHE A 59 -13.941 4.202 8.029 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.340 6.659 6.315 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -14.772 6.429 7.298 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -11.025 6.455 7.539 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -14.759 7.072 9.573 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -9.804 7.315 9.521 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -13.538 7.936 11.551 1.00 0.00 H new ATOM 0 HZ PHE A 59 -11.061 8.056 11.526 1.00 0.00 H new ATOM 922 N MET A 60 -15.200 3.243 6.094 1.00 0.00 N ATOM 923 CA MET A 60 -15.940 2.667 4.934 1.00 0.00 C ATOM 924 C MET A 60 -17.110 3.576 4.546 1.00 0.00 C ATOM 925 O MET A 60 -17.749 4.180 5.386 1.00 0.00 O ATOM 926 CB MET A 60 -16.474 1.284 5.310 1.00 0.00 C ATOM 927 CG MET A 60 -15.519 0.210 4.788 1.00 0.00 C ATOM 928 SD MET A 60 -15.871 -1.365 5.610 1.00 0.00 S ATOM 929 CE MET A 60 -14.337 -2.208 5.147 1.00 0.00 C ATOM 0 H MET A 60 -15.488 2.893 7.008 1.00 0.00 H new ATOM 0 HA MET A 60 -15.261 2.584 4.086 1.00 0.00 H new ATOM 0 HB2 MET A 60 -16.573 1.203 6.392 1.00 0.00 H new ATOM 0 HB3 MET A 60 -17.468 1.139 4.887 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.631 0.102 3.709 1.00 0.00 H new ATOM 0 HG3 MET A 60 -14.486 0.506 4.973 1.00 0.00 H new ATOM 0 HE1 MET A 60 -14.339 -3.218 5.557 1.00 0.00 H new ATOM 0 HE2 MET A 60 -14.263 -2.257 4.061 1.00 0.00 H new ATOM 0 HE3 MET A 60 -13.485 -1.657 5.544 1.00 0.00 H new ATOM 939 N CYS A 61 -17.395 3.669 3.274 1.00 0.00 N ATOM 940 CA CYS A 61 -18.525 4.526 2.810 1.00 0.00 C ATOM 941 C CYS A 61 -19.763 3.654 2.582 1.00 0.00 C ATOM 942 O CYS A 61 -19.662 2.529 2.132 1.00 0.00 O ATOM 943 CB CYS A 61 -18.139 5.214 1.497 1.00 0.00 C ATOM 944 SG CYS A 61 -19.609 5.969 0.757 1.00 0.00 S ATOM 0 H CYS A 61 -16.890 3.185 2.532 1.00 0.00 H new ATOM 0 HA CYS A 61 -18.743 5.281 3.565 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -17.380 5.974 1.682 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -17.703 4.490 0.809 1.00 0.00 H new ATOM 0 HG CYS A 61 -19.331 6.369 -0.448 1.00 0.00 H new ATOM 1051 N ARG A 69 -14.605 3.308 -1.414 1.00 0.00 N ATOM 1052 CA ARG A 69 -13.280 3.986 -1.378 1.00 0.00 C ATOM 1053 C ARG A 69 -12.946 4.368 0.066 1.00 0.00 C ATOM 1054 O ARG A 69 -13.210 5.470 0.503 1.00 0.00 O ATOM 1055 CB ARG A 69 -13.327 5.248 -2.242 1.00 0.00 C ATOM 1056 CG ARG A 69 -13.120 4.868 -3.710 1.00 0.00 C ATOM 1057 CD ARG A 69 -14.236 3.921 -4.154 1.00 0.00 C ATOM 1058 NE ARG A 69 -14.320 3.917 -5.643 1.00 0.00 N ATOM 1059 CZ ARG A 69 -15.153 3.115 -6.247 1.00 0.00 C ATOM 1060 NH1 ARG A 69 -15.913 2.316 -5.548 1.00 0.00 N ATOM 1061 NH2 ARG A 69 -15.227 3.111 -7.549 1.00 0.00 N ATOM 0 HA ARG A 69 -12.515 3.312 -1.764 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -14.285 5.752 -2.117 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.555 5.949 -1.924 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.119 5.763 -4.332 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.149 4.389 -3.839 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.040 2.913 -3.787 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -15.187 4.237 -3.726 1.00 0.00 H new ATOM 0 HE ARG A 69 -13.726 4.541 -6.189 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -15.855 2.319 -4.530 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -16.564 1.689 -6.020 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -14.633 3.735 -8.095 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -15.878 2.484 -8.021 1.00 0.00 H new ATOM 1075 N THR A 70 -12.366 3.466 0.809 1.00 0.00 N ATOM 1076 CA THR A 70 -12.019 3.779 2.224 1.00 0.00 C ATOM 1077 C THR A 70 -11.047 4.958 2.265 1.00 0.00 C ATOM 1078 O THR A 70 -10.623 5.464 1.245 1.00 0.00 O ATOM 1079 CB THR A 70 -11.348 2.567 2.871 1.00 0.00 C ATOM 1080 OG1 THR A 70 -11.024 1.614 1.869 1.00 0.00 O ATOM 1081 CG2 THR A 70 -12.289 1.937 3.896 1.00 0.00 C ATOM 0 H THR A 70 -12.118 2.527 0.498 1.00 0.00 H new ATOM 0 HA THR A 70 -12.931 4.030 2.765 1.00 0.00 H new ATOM 0 HB THR A 70 -10.436 2.888 3.375 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.592 0.838 2.283 1.00 0.00 H new ATOM 0 HG21 THR A 70 -11.804 1.074 4.353 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.529 2.669 4.667 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.206 1.618 3.400 1.00 0.00 H new ATOM 1089 N TYR A 71 -10.679 5.387 3.441 1.00 0.00 N ATOM 1090 CA TYR A 71 -9.723 6.519 3.561 1.00 0.00 C ATOM 1091 C TYR A 71 -9.107 6.508 4.961 1.00 0.00 C ATOM 1092 O TYR A 71 -9.232 5.541 5.687 1.00 0.00 O ATOM 1093 CB TYR A 71 -10.452 7.843 3.327 1.00 0.00 C ATOM 1094 CG TYR A 71 -10.715 8.013 1.850 1.00 0.00 C ATOM 1095 CD1 TYR A 71 -9.693 8.469 1.007 1.00 0.00 C ATOM 1096 CD2 TYR A 71 -11.976 7.711 1.322 1.00 0.00 C ATOM 1097 CE1 TYR A 71 -9.934 8.625 -0.364 1.00 0.00 C ATOM 1098 CE2 TYR A 71 -12.216 7.867 -0.048 1.00 0.00 C ATOM 1099 CZ TYR A 71 -11.196 8.323 -0.891 1.00 0.00 C ATOM 1100 OH TYR A 71 -11.432 8.475 -2.241 1.00 0.00 O ATOM 0 H TYR A 71 -11.002 4.999 4.327 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.937 6.413 2.814 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.392 7.857 3.879 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -9.851 8.673 3.699 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -8.720 8.700 1.414 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.763 7.358 1.972 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -9.147 8.978 -1.014 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -13.189 7.635 -0.455 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.357 8.221 -2.442 1.00 0.00 H new ATOM 1110 N LEU A 72 -8.437 7.568 5.337 1.00 0.00 N ATOM 1111 CA LEU A 72 -7.796 7.624 6.685 1.00 0.00 C ATOM 1112 C LEU A 72 -8.458 8.707 7.538 1.00 0.00 C ATOM 1113 O LEU A 72 -8.186 8.827 8.716 1.00 0.00 O ATOM 1114 CB LEU A 72 -6.303 7.947 6.547 1.00 0.00 C ATOM 1115 CG LEU A 72 -5.875 7.883 5.079 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -4.393 8.245 4.969 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -6.087 6.465 4.544 1.00 0.00 C ATOM 0 H LEU A 72 -8.306 8.402 4.764 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.919 6.653 7.164 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.101 8.940 6.948 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.716 7.241 7.134 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.472 8.585 4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.084 8.201 3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.235 9.253 5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.802 7.539 5.553 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.782 6.421 3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.490 5.763 5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.141 6.199 4.626 1.00 0.00 H new ATOM 1129 N SER A 73 -9.318 9.503 6.961 1.00 0.00 N ATOM 1130 CA SER A 73 -9.979 10.573 7.757 1.00 0.00 C ATOM 1131 C SER A 73 -11.392 10.808 7.227 1.00 0.00 C ATOM 1132 O SER A 73 -11.593 11.013 6.047 1.00 0.00 O ATOM 1133 CB SER A 73 -9.172 11.867 7.642 1.00 0.00 C ATOM 1134 OG SER A 73 -7.894 11.677 8.232 1.00 0.00 O ATOM 0 H SER A 73 -9.589 9.458 5.979 1.00 0.00 H new ATOM 0 HA SER A 73 -10.030 10.266 8.802 1.00 0.00 H new ATOM 0 HB2 SER A 73 -9.063 12.150 6.595 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.697 12.682 8.139 1.00 0.00 H new ATOM 0 HG SER A 73 -7.374 12.504 8.159 1.00 0.00 H new ATOM 1140 N GLN A 74 -12.370 10.776 8.091 1.00 0.00 N ATOM 1141 CA GLN A 74 -13.771 11.000 7.638 1.00 0.00 C ATOM 1142 C GLN A 74 -13.808 12.209 6.704 1.00 0.00 C ATOM 1143 O GLN A 74 -14.726 12.382 5.931 1.00 0.00 O ATOM 1144 CB GLN A 74 -14.663 11.267 8.853 1.00 0.00 C ATOM 1145 CG GLN A 74 -16.121 10.985 8.487 1.00 0.00 C ATOM 1146 CD GLN A 74 -16.457 9.529 8.815 1.00 0.00 C ATOM 1147 OE1 GLN A 74 -17.201 9.257 9.736 1.00 0.00 O ATOM 1148 NE2 GLN A 74 -15.935 8.575 8.094 1.00 0.00 N ATOM 0 H GLN A 74 -12.259 10.604 9.090 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.132 10.117 7.111 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.358 10.636 9.687 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.552 12.301 9.179 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -16.781 11.655 9.038 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -16.285 11.177 7.427 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.310 8.804 7.321 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -16.152 7.601 8.304 1.00 0.00 H new ATOM 1157 N ARG A 75 -12.808 13.044 6.769 1.00 0.00 N ATOM 1158 CA ARG A 75 -12.771 14.245 5.890 1.00 0.00 C ATOM 1159 C ARG A 75 -12.499 13.821 4.446 1.00 0.00 C ATOM 1160 O ARG A 75 -12.988 14.421 3.509 1.00 0.00 O ATOM 1161 CB ARG A 75 -11.652 15.176 6.363 1.00 0.00 C ATOM 1162 CG ARG A 75 -11.712 16.496 5.593 1.00 0.00 C ATOM 1163 CD ARG A 75 -10.298 16.913 5.187 1.00 0.00 C ATOM 1164 NE ARG A 75 -10.305 18.341 4.761 1.00 0.00 N ATOM 1165 CZ ARG A 75 -10.684 18.660 3.553 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -11.060 17.729 2.720 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -10.690 19.911 3.180 1.00 0.00 N ATOM 0 H ARG A 75 -12.011 12.945 7.397 1.00 0.00 H new ATOM 0 HA ARG A 75 -13.730 14.761 5.939 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.751 15.364 7.432 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.683 14.700 6.211 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.338 16.385 4.708 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.168 17.270 6.211 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.612 16.775 6.023 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.940 16.281 4.374 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.014 19.069 5.413 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.058 16.752 3.012 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.356 17.978 1.776 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.399 20.639 3.832 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.986 20.160 2.236 1.00 0.00 H new ATOM 1181 N ASP A 76 -11.728 12.791 4.258 1.00 0.00 N ATOM 1182 CA ASP A 76 -11.428 12.333 2.875 1.00 0.00 C ATOM 1183 C ASP A 76 -12.582 11.462 2.399 1.00 0.00 C ATOM 1184 O ASP A 76 -13.002 11.517 1.257 1.00 0.00 O ATOM 1185 CB ASP A 76 -10.131 11.522 2.871 1.00 0.00 C ATOM 1186 CG ASP A 76 -8.940 12.465 2.697 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -8.629 12.791 1.564 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -8.359 12.845 3.700 1.00 0.00 O ATOM 0 H ASP A 76 -11.292 12.246 5.001 1.00 0.00 H new ATOM 0 HA ASP A 76 -11.307 13.190 2.212 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.035 10.966 3.803 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.150 10.790 2.064 1.00 0.00 H new ATOM 1193 N LEU A 77 -13.123 10.679 3.283 1.00 0.00 N ATOM 1194 CA LEU A 77 -14.264 9.830 2.913 1.00 0.00 C ATOM 1195 C LEU A 77 -15.473 10.730 2.785 1.00 0.00 C ATOM 1196 O LEU A 77 -16.318 10.534 1.945 1.00 0.00 O ATOM 1197 CB LEU A 77 -14.492 8.799 4.013 1.00 0.00 C ATOM 1198 CG LEU A 77 -15.821 8.085 3.786 1.00 0.00 C ATOM 1199 CD1 LEU A 77 -15.634 6.592 4.038 1.00 0.00 C ATOM 1200 CD2 LEU A 77 -16.865 8.643 4.756 1.00 0.00 C ATOM 0 H LEU A 77 -12.816 10.595 4.252 1.00 0.00 H new ATOM 0 HA LEU A 77 -14.082 9.306 1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.677 8.075 4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.493 9.288 4.987 1.00 0.00 H new ATOM 0 HG LEU A 77 -16.158 8.243 2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -16.580 6.075 3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.884 6.198 3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.304 6.435 5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.817 8.136 4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.533 8.480 5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.990 9.712 4.581 1.00 0.00 H new ATOM 1212 N GLN A 78 -15.546 11.744 3.594 1.00 0.00 N ATOM 1213 CA GLN A 78 -16.693 12.670 3.479 1.00 0.00 C ATOM 1214 C GLN A 78 -16.493 13.434 2.189 1.00 0.00 C ATOM 1215 O GLN A 78 -17.430 13.809 1.501 1.00 0.00 O ATOM 1216 CB GLN A 78 -16.733 13.631 4.674 1.00 0.00 C ATOM 1217 CG GLN A 78 -17.837 14.677 4.476 1.00 0.00 C ATOM 1218 CD GLN A 78 -19.182 13.977 4.273 1.00 0.00 C ATOM 1219 OE1 GLN A 78 -19.947 13.824 5.205 1.00 0.00 O ATOM 1220 NE2 GLN A 78 -19.506 13.542 3.085 1.00 0.00 N ATOM 0 H GLN A 78 -14.868 11.968 4.322 1.00 0.00 H new ATOM 0 HA GLN A 78 -17.639 12.128 3.475 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -16.912 13.073 5.593 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -15.768 14.126 4.784 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -17.886 15.336 5.343 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -17.608 15.302 3.613 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -18.864 13.670 2.302 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -20.401 13.074 2.940 1.00 0.00 H new ATOM 1229 N ALA A 79 -15.258 13.623 1.837 1.00 0.00 N ATOM 1230 CA ALA A 79 -14.961 14.317 0.575 1.00 0.00 C ATOM 1231 C ALA A 79 -15.312 13.367 -0.556 1.00 0.00 C ATOM 1232 O ALA A 79 -15.553 13.777 -1.671 1.00 0.00 O ATOM 1233 CB ALA A 79 -13.475 14.675 0.514 1.00 0.00 C ATOM 0 H ALA A 79 -14.444 13.324 2.374 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.536 15.240 0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.263 15.189 -0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.223 15.327 1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.879 13.764 0.572 1.00 0.00 H new ATOM 1239 N HIS A 80 -15.368 12.088 -0.276 1.00 0.00 N ATOM 1240 CA HIS A 80 -15.720 11.134 -1.363 1.00 0.00 C ATOM 1241 C HIS A 80 -17.228 11.204 -1.611 1.00 0.00 C ATOM 1242 O HIS A 80 -17.693 11.089 -2.728 1.00 0.00 O ATOM 1243 CB HIS A 80 -15.310 9.709 -0.983 1.00 0.00 C ATOM 1244 CG HIS A 80 -16.175 8.724 -1.720 1.00 0.00 C ATOM 1245 ND1 HIS A 80 -15.948 8.388 -3.046 1.00 0.00 N ATOM 1246 CD2 HIS A 80 -17.266 7.991 -1.327 1.00 0.00 C ATOM 1247 CE1 HIS A 80 -16.885 7.487 -3.400 1.00 0.00 C ATOM 1248 NE2 HIS A 80 -17.713 7.210 -2.389 1.00 0.00 N ATOM 0 H HIS A 80 -15.189 11.673 0.639 1.00 0.00 H new ATOM 0 HA HIS A 80 -15.184 11.406 -2.272 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -14.261 9.543 -1.229 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -15.412 9.565 0.093 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -15.208 8.755 -3.644 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -17.711 8.016 -0.343 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -16.958 7.043 -4.382 1.00 0.00 H new ATOM 1256 N ILE A 81 -17.992 11.393 -0.573 1.00 0.00 N ATOM 1257 CA ILE A 81 -19.477 11.472 -0.738 1.00 0.00 C ATOM 1258 C ILE A 81 -19.833 12.678 -1.578 1.00 0.00 C ATOM 1259 O ILE A 81 -20.581 12.587 -2.528 1.00 0.00 O ATOM 1260 CB ILE A 81 -20.188 11.647 0.614 1.00 0.00 C ATOM 1261 CG1 ILE A 81 -19.545 10.777 1.690 1.00 0.00 C ATOM 1262 CG2 ILE A 81 -21.665 11.285 0.473 1.00 0.00 C ATOM 1263 CD1 ILE A 81 -19.869 9.295 1.465 1.00 0.00 C ATOM 0 H ILE A 81 -17.656 11.497 0.385 1.00 0.00 H new ATOM 0 HA ILE A 81 -19.796 10.542 -1.208 1.00 0.00 H new ATOM 0 HB ILE A 81 -20.094 12.690 0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.465 10.922 1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -19.901 11.086 2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -22.164 11.411 1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -22.131 11.937 -0.266 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -21.756 10.248 0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -19.399 8.697 2.246 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -20.949 9.150 1.498 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -19.490 8.983 0.492 1.00 0.00 H new ATOM 1275 N ASN A 82 -19.329 13.814 -1.220 1.00 0.00 N ATOM 1276 CA ASN A 82 -19.678 15.031 -1.991 1.00 0.00 C ATOM 1277 C ASN A 82 -18.947 15.022 -3.320 1.00 0.00 C ATOM 1278 O ASN A 82 -19.314 15.728 -4.240 1.00 0.00 O ATOM 1279 CB ASN A 82 -19.289 16.279 -1.205 1.00 0.00 C ATOM 1280 CG ASN A 82 -17.895 16.105 -0.613 1.00 0.00 C ATOM 1281 OD1 ASN A 82 -17.003 15.608 -1.269 1.00 0.00 O ATOM 1282 ND2 ASN A 82 -17.671 16.502 0.611 1.00 0.00 N ATOM 0 H ASN A 82 -18.695 13.956 -0.434 1.00 0.00 H new ATOM 0 HA ASN A 82 -20.754 15.041 -2.167 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -19.310 17.152 -1.858 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -20.012 16.458 -0.409 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -16.743 16.395 1.020 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -18.424 16.919 1.158 1.00 0.00 H new ATOM 1289 N HIS A 83 -17.905 14.250 -3.438 1.00 0.00 N ATOM 1290 CA HIS A 83 -17.165 14.245 -4.728 1.00 0.00 C ATOM 1291 C HIS A 83 -17.770 13.252 -5.727 1.00 0.00 C ATOM 1292 O HIS A 83 -17.556 13.388 -6.916 1.00 0.00 O ATOM 1293 CB HIS A 83 -15.694 13.902 -4.499 1.00 0.00 C ATOM 1294 CG HIS A 83 -15.001 15.068 -3.848 1.00 0.00 C ATOM 1295 ND1 HIS A 83 -13.630 15.090 -3.635 1.00 0.00 N ATOM 1296 CD2 HIS A 83 -15.477 16.259 -3.354 1.00 0.00 C ATOM 1297 CE1 HIS A 83 -13.331 16.259 -3.039 1.00 0.00 C ATOM 1298 NE2 HIS A 83 -14.421 17.005 -2.847 1.00 0.00 N ATOM 0 H HIS A 83 -17.539 13.633 -2.713 1.00 0.00 H new ATOM 0 HA HIS A 83 -17.246 15.247 -5.150 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -15.610 13.017 -3.868 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -15.213 13.664 -5.448 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -16.512 16.567 -3.359 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -12.333 16.556 -2.752 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -14.468 17.929 -2.418 1.00 0.00 H new ATOM 1307 N ARG A 84 -18.488 12.240 -5.277 1.00 0.00 N ATOM 1308 CA ARG A 84 -19.047 11.247 -6.253 1.00 0.00 C ATOM 1309 C ARG A 84 -20.548 11.021 -6.043 1.00 0.00 C ATOM 1310 O ARG A 84 -21.250 10.660 -6.967 1.00 0.00 O ATOM 1311 CB ARG A 84 -18.307 9.903 -6.124 1.00 0.00 C ATOM 1312 CG ARG A 84 -16.834 10.124 -5.741 1.00 0.00 C ATOM 1313 CD ARG A 84 -16.079 10.774 -6.907 1.00 0.00 C ATOM 1314 NE ARG A 84 -14.949 9.895 -7.317 1.00 0.00 N ATOM 1315 CZ ARG A 84 -14.398 10.044 -8.490 1.00 0.00 C ATOM 1316 NH1 ARG A 84 -14.839 10.963 -9.305 1.00 0.00 N ATOM 1317 NH2 ARG A 84 -13.408 9.275 -8.849 1.00 0.00 N ATOM 0 H ARG A 84 -18.706 12.064 -4.296 1.00 0.00 H new ATOM 0 HA ARG A 84 -18.902 11.658 -7.252 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -18.795 9.285 -5.370 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -18.364 9.359 -7.067 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -16.771 10.759 -4.857 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -16.370 9.172 -5.483 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -16.754 10.933 -7.748 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -15.703 11.753 -6.610 1.00 0.00 H new ATOM 0 HE ARG A 84 -14.606 9.176 -6.680 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -15.614 11.564 -9.025 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -14.409 11.080 -10.222 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.064 8.556 -8.212 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.978 9.392 -9.766 1.00 0.00 H new ATOM 1331 N HIS A 85 -21.048 11.219 -4.856 1.00 0.00 N ATOM 1332 CA HIS A 85 -22.503 11.001 -4.616 1.00 0.00 C ATOM 1333 C HIS A 85 -23.212 12.347 -4.621 1.00 0.00 C ATOM 1334 O HIS A 85 -24.201 12.541 -5.299 1.00 0.00 O ATOM 1335 CB HIS A 85 -22.701 10.322 -3.262 1.00 0.00 C ATOM 1336 CG HIS A 85 -21.781 9.138 -3.161 1.00 0.00 C ATOM 1337 ND1 HIS A 85 -22.251 7.847 -2.972 1.00 0.00 N ATOM 1338 CD2 HIS A 85 -20.415 9.033 -3.227 1.00 0.00 C ATOM 1339 CE1 HIS A 85 -21.183 7.029 -2.930 1.00 0.00 C ATOM 1340 NE2 HIS A 85 -20.038 7.701 -3.081 1.00 0.00 N ATOM 0 H HIS A 85 -20.514 11.522 -4.042 1.00 0.00 H new ATOM 0 HA HIS A 85 -22.916 10.365 -5.399 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -22.496 11.026 -2.456 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -23.737 10.003 -3.150 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -19.734 9.859 -3.371 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -21.244 5.960 -2.791 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -19.092 7.320 -3.088 1.00 0.00 H new