USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=27 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 61 CYS SG : rot -55:sc= 0.167 USER MOD Set 1.2: A 71 TYR OH : rot 6:sc= -4.66! USER MOD Set 1.3: A 80 HIS : no HD1:sc= -5.89! C(o=-14!,f=-26!) USER MOD Set 1.4: A 85 HIS : no HE2:sc= -3.48! C(o=-14!,f=-20!) USER MOD Set 2.1: A 14 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 60 MET CE :methyl -118:sc= 0 (180deg=-0.368) USER MOD Set 3.1: A 54 THR OG1 : rot 180:sc= 0.0426 USER MOD Set 3.2: A 57 SER OG : rot 124:sc= 0.213 USER MOD Set 4.1: A 20 CYS SG : rot 177:sc= -1.09! USER MOD Set 4.2: A 22 HIS : no HE2:sc= -5.25! C(o=-8.4!,f=-26!) USER MOD Set 4.3: A 40 CYS SG : rot 32:sc= 1.86 USER MOD Set 4.4: A 43 CYS SG : rot 171:sc= -3.96! USER MOD Set 5.1: A 4 CYS SG : rot 167:sc= 0.692 USER MOD Set 5.2: A 7 CYS SG : rot 134:sc= -4.47! USER MOD Set 5.3: A 25 CYS SG : rot 144:sc= -4.07! USER MOD Set 5.4: A 28 CYS SG : rot 173:sc= -0.852! USER MOD Single : A 6 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00288) USER MOD Single : A 12 LYS NZ :NH3+ -102:sc= -0.479 (180deg=-1.45!) USER MOD Single : A 17 MET CE :methyl -164:sc= -4.21! (180deg=-5.22!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.082) USER MOD Single : A 34 LYS NZ :NH3+ -111:sc= -1.92 (180deg=-4.03!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -74:sc= 0.281 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 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 73 SER OG : rot 180:sc= -0.119 USER MOD Single : A 74 GLN :FLIP amide:sc= -0.41 F(o=-3.2,f=-0.41) USER MOD Single : A 78 GLN : amide:sc= -0.85 X(o=-0.85,f=-0.36) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.991 F(o=-2.8,f=-0.99) USER MOD Single : A 83 HIS :FLIP no HD1:sc= -2.81! C(o=-3.4!,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 37 N PHE A 3 -13.821 -8.607 4.266 1.00 0.00 N ATOM 38 CA PHE A 3 -13.697 -9.637 3.198 1.00 0.00 C ATOM 39 C PHE A 3 -12.940 -9.044 2.008 1.00 0.00 C ATOM 40 O PHE A 3 -13.460 -8.226 1.275 1.00 0.00 O ATOM 41 CB PHE A 3 -15.091 -10.081 2.750 1.00 0.00 C ATOM 42 CG PHE A 3 -15.944 -8.865 2.476 1.00 0.00 C ATOM 43 CD1 PHE A 3 -16.555 -8.187 3.538 1.00 0.00 C ATOM 44 CD2 PHE A 3 -16.123 -8.417 1.163 1.00 0.00 C ATOM 45 CE1 PHE A 3 -17.345 -7.059 3.285 1.00 0.00 C ATOM 46 CE2 PHE A 3 -16.913 -7.290 0.910 1.00 0.00 C ATOM 47 CZ PHE A 3 -17.524 -6.611 1.970 1.00 0.00 C ATOM 0 HA PHE A 3 -13.152 -10.498 3.584 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -15.017 -10.696 1.853 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -15.554 -10.696 3.522 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -16.417 -8.534 4.551 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -15.652 -8.941 0.345 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -17.816 -6.535 4.103 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -17.051 -6.944 -0.104 1.00 0.00 H new ATOM 0 HZ PHE A 3 -18.134 -5.741 1.774 1.00 0.00 H new ATOM 57 N CYS A 4 -11.711 -9.443 1.817 1.00 0.00 N ATOM 58 CA CYS A 4 -10.913 -8.897 0.683 1.00 0.00 C ATOM 59 C CYS A 4 -11.758 -8.905 -0.590 1.00 0.00 C ATOM 60 O CYS A 4 -12.592 -9.765 -0.792 1.00 0.00 O ATOM 61 CB CYS A 4 -9.668 -9.756 0.478 1.00 0.00 C ATOM 62 SG CYS A 4 -8.746 -9.150 -0.957 1.00 0.00 S ATOM 0 H CYS A 4 -11.225 -10.125 2.399 1.00 0.00 H new ATOM 0 HA CYS A 4 -10.614 -7.873 0.909 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -9.040 -9.723 1.368 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -9.952 -10.797 0.328 1.00 0.00 H new ATOM 0 HG CYS A 4 -7.563 -9.688 -0.972 1.00 0.00 H new ATOM 67 N ASP A 5 -11.559 -7.937 -1.443 1.00 0.00 N ATOM 68 CA ASP A 5 -12.360 -7.870 -2.694 1.00 0.00 C ATOM 69 C ASP A 5 -11.749 -8.766 -3.774 1.00 0.00 C ATOM 70 O ASP A 5 -12.451 -9.282 -4.620 1.00 0.00 O ATOM 71 CB ASP A 5 -12.393 -6.425 -3.196 1.00 0.00 C ATOM 72 CG ASP A 5 -13.722 -6.161 -3.904 1.00 0.00 C ATOM 73 OD1 ASP A 5 -14.690 -5.875 -3.218 1.00 0.00 O ATOM 74 OD2 ASP A 5 -13.750 -6.250 -5.121 1.00 0.00 O ATOM 0 H ASP A 5 -10.875 -7.190 -1.325 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.371 -8.217 -2.482 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.271 -5.736 -2.360 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.563 -6.247 -3.880 1.00 0.00 H new ATOM 79 N LYS A 6 -10.452 -8.950 -3.769 1.00 0.00 N ATOM 80 CA LYS A 6 -9.828 -9.806 -4.819 1.00 0.00 C ATOM 81 C LYS A 6 -9.672 -11.239 -4.311 1.00 0.00 C ATOM 82 O LYS A 6 -9.881 -12.189 -5.039 1.00 0.00 O ATOM 83 CB LYS A 6 -8.451 -9.245 -5.190 1.00 0.00 C ATOM 84 CG LYS A 6 -8.371 -9.000 -6.704 1.00 0.00 C ATOM 85 CD LYS A 6 -8.367 -10.337 -7.450 1.00 0.00 C ATOM 86 CE LYS A 6 -6.922 -10.778 -7.694 1.00 0.00 C ATOM 87 NZ LYS A 6 -6.378 -10.063 -8.882 1.00 0.00 N ATOM 0 H LYS A 6 -9.806 -8.548 -3.090 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.472 -9.809 -5.698 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.273 -8.313 -4.653 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.671 -9.943 -4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.218 -8.395 -7.028 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.468 -8.438 -6.943 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.896 -11.092 -6.869 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.894 -10.238 -8.399 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.312 -10.564 -6.816 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.882 -11.855 -7.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.414 -10.400 -9.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.984 -10.248 -9.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.355 -9.041 -8.692 1.00 0.00 H new ATOM 101 N CYS A 7 -9.296 -11.409 -3.077 1.00 0.00 N ATOM 102 CA CYS A 7 -9.118 -12.786 -2.544 1.00 0.00 C ATOM 103 C CYS A 7 -10.440 -13.303 -1.971 1.00 0.00 C ATOM 104 O CYS A 7 -10.681 -14.492 -1.921 1.00 0.00 O ATOM 105 CB CYS A 7 -8.047 -12.774 -1.455 1.00 0.00 C ATOM 106 SG CYS A 7 -6.625 -11.813 -2.028 1.00 0.00 S ATOM 0 H CYS A 7 -9.105 -10.657 -2.415 1.00 0.00 H new ATOM 0 HA CYS A 7 -8.805 -13.447 -3.352 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.448 -12.341 -0.539 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.741 -13.793 -1.218 1.00 0.00 H new ATOM 0 HG CYS A 7 -6.237 -11.008 -1.084 1.00 0.00 H new ATOM 111 N GLY A 8 -11.305 -12.422 -1.547 1.00 0.00 N ATOM 112 CA GLY A 8 -12.613 -12.873 -0.989 1.00 0.00 C ATOM 113 C GLY A 8 -12.401 -13.526 0.380 1.00 0.00 C ATOM 114 O GLY A 8 -13.303 -14.124 0.934 1.00 0.00 O ATOM 0 H GLY A 8 -11.164 -11.412 -1.562 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.290 -12.024 -0.895 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.083 -13.582 -1.670 1.00 0.00 H new ATOM 118 N LEU A 9 -11.223 -13.408 0.933 1.00 0.00 N ATOM 119 CA LEU A 9 -10.956 -14.014 2.272 1.00 0.00 C ATOM 120 C LEU A 9 -11.064 -12.918 3.334 1.00 0.00 C ATOM 121 O LEU A 9 -10.937 -11.748 3.031 1.00 0.00 O ATOM 122 CB LEU A 9 -9.545 -14.607 2.290 1.00 0.00 C ATOM 123 CG LEU A 9 -9.619 -16.121 2.075 1.00 0.00 C ATOM 124 CD1 LEU A 9 -10.271 -16.417 0.723 1.00 0.00 C ATOM 125 CD2 LEU A 9 -8.205 -16.706 2.096 1.00 0.00 C ATOM 0 H LEU A 9 -10.432 -12.917 0.515 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.679 -14.804 2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.937 -14.148 1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.060 -14.388 3.241 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.214 -16.571 2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.323 -17.495 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.278 -16.000 0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.678 -15.967 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.255 -17.784 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.612 -16.254 1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.739 -16.497 3.059 1.00 0.00 H new ATOM 137 N PRO A 10 -11.296 -13.278 4.571 1.00 0.00 N ATOM 138 CA PRO A 10 -11.420 -12.283 5.667 1.00 0.00 C ATOM 139 C PRO A 10 -10.094 -11.587 5.963 1.00 0.00 C ATOM 140 O PRO A 10 -9.230 -12.099 6.647 1.00 0.00 O ATOM 141 CB PRO A 10 -11.893 -13.085 6.867 1.00 0.00 C ATOM 142 CG PRO A 10 -11.520 -14.505 6.582 1.00 0.00 C ATOM 143 CD PRO A 10 -11.467 -14.656 5.059 1.00 0.00 C ATOM 0 HA PRO A 10 -12.111 -11.483 5.402 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.420 -12.733 7.784 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.969 -12.984 7.005 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.555 -14.747 7.028 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.251 -15.190 7.012 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.640 -15.295 4.750 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.380 -15.107 4.670 1.00 0.00 H new ATOM 151 N ILE A 11 -9.949 -10.419 5.430 1.00 0.00 N ATOM 152 CA ILE A 11 -8.711 -9.617 5.615 1.00 0.00 C ATOM 153 C ILE A 11 -8.270 -9.620 7.080 1.00 0.00 C ATOM 154 O ILE A 11 -8.882 -9.003 7.929 1.00 0.00 O ATOM 155 CB ILE A 11 -9.008 -8.183 5.161 1.00 0.00 C ATOM 156 CG1 ILE A 11 -9.273 -8.192 3.658 1.00 0.00 C ATOM 157 CG2 ILE A 11 -7.817 -7.272 5.445 1.00 0.00 C ATOM 158 CD1 ILE A 11 -9.896 -6.862 3.246 1.00 0.00 C ATOM 0 H ILE A 11 -10.659 -9.967 4.853 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.902 -10.049 5.026 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.875 -7.810 5.706 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.342 -8.354 3.114 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.940 -9.014 3.400 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.047 -6.259 5.116 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.609 -7.267 6.515 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.942 -7.638 4.907 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.086 -6.866 2.173 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.835 -6.719 3.780 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.212 -6.049 3.490 1.00 0.00 H new ATOM 170 N LYS A 12 -7.181 -10.282 7.374 1.00 0.00 N ATOM 171 CA LYS A 12 -6.669 -10.290 8.772 1.00 0.00 C ATOM 172 C LYS A 12 -5.931 -8.972 8.995 1.00 0.00 C ATOM 173 O LYS A 12 -5.970 -8.389 10.061 1.00 0.00 O ATOM 174 CB LYS A 12 -5.706 -11.463 8.964 1.00 0.00 C ATOM 175 CG LYS A 12 -6.391 -12.763 8.538 1.00 0.00 C ATOM 176 CD LYS A 12 -6.189 -13.826 9.620 1.00 0.00 C ATOM 177 CE LYS A 12 -4.692 -14.052 9.841 1.00 0.00 C ATOM 178 NZ LYS A 12 -4.288 -13.460 11.148 1.00 0.00 N ATOM 0 H LYS A 12 -6.626 -10.816 6.705 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.488 -10.398 9.483 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.803 -11.306 8.374 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.398 -11.527 10.008 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.455 -12.590 8.378 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.978 -13.110 7.591 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.661 -13.508 10.550 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.668 -14.759 9.322 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.469 -15.119 9.828 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.121 -13.597 9.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.812 -12.550 10.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.132 -13.308 11.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.638 -14.108 11.636 1.00 0.00 H new ATOM 192 N VAL A 13 -5.279 -8.491 7.970 1.00 0.00 N ATOM 193 CA VAL A 13 -4.551 -7.205 8.056 1.00 0.00 C ATOM 194 C VAL A 13 -4.844 -6.437 6.773 1.00 0.00 C ATOM 195 O VAL A 13 -4.884 -7.006 5.703 1.00 0.00 O ATOM 196 CB VAL A 13 -3.058 -7.459 8.157 1.00 0.00 C ATOM 197 CG1 VAL A 13 -2.406 -6.371 9.014 1.00 0.00 C ATOM 198 CG2 VAL A 13 -2.810 -8.829 8.789 1.00 0.00 C ATOM 0 H VAL A 13 -5.223 -8.950 7.061 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.867 -6.644 8.935 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.622 -7.439 7.158 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.334 -6.557 9.084 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.576 -5.397 8.556 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.843 -6.384 10.013 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.737 -9.008 8.860 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.249 -8.854 9.786 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.267 -9.603 8.172 1.00 0.00 H new ATOM 208 N TYR A 14 -5.068 -5.166 6.860 1.00 0.00 N ATOM 209 CA TYR A 14 -5.396 -4.395 5.633 1.00 0.00 C ATOM 210 C TYR A 14 -4.138 -4.093 4.833 1.00 0.00 C ATOM 211 O TYR A 14 -3.349 -3.240 5.192 1.00 0.00 O ATOM 212 CB TYR A 14 -6.054 -3.075 6.006 1.00 0.00 C ATOM 213 CG TYR A 14 -7.542 -3.261 6.219 1.00 0.00 C ATOM 214 CD1 TYR A 14 -8.027 -4.338 6.973 1.00 0.00 C ATOM 215 CD2 TYR A 14 -8.437 -2.338 5.671 1.00 0.00 C ATOM 216 CE1 TYR A 14 -9.403 -4.488 7.178 1.00 0.00 C ATOM 217 CE2 TYR A 14 -9.813 -2.485 5.875 1.00 0.00 C ATOM 218 CZ TYR A 14 -10.297 -3.559 6.630 1.00 0.00 C ATOM 219 OH TYR A 14 -11.654 -3.704 6.834 1.00 0.00 O ATOM 0 H TYR A 14 -5.039 -4.624 7.724 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.075 -4.999 5.031 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.598 -2.679 6.914 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.883 -2.342 5.218 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.338 -5.053 7.397 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.065 -1.508 5.088 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -9.776 -5.319 7.758 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.502 -1.770 5.450 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.810 -4.145 7.695 1.00 0.00 H new ATOM 229 N GLY A 15 -3.966 -4.760 3.733 1.00 0.00 N ATOM 230 CA GLY A 15 -2.787 -4.484 2.881 1.00 0.00 C ATOM 231 C GLY A 15 -3.051 -3.180 2.153 1.00 0.00 C ATOM 232 O GLY A 15 -3.543 -3.170 1.044 1.00 0.00 O ATOM 0 H GLY A 15 -4.593 -5.486 3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.884 -4.410 3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.628 -5.295 2.171 1.00 0.00 H new ATOM 236 N ARG A 16 -2.750 -2.082 2.784 1.00 0.00 N ATOM 237 CA ARG A 16 -3.007 -0.757 2.153 1.00 0.00 C ATOM 238 C ARG A 16 -2.121 -0.590 0.925 1.00 0.00 C ATOM 239 O ARG A 16 -0.932 -0.824 0.974 1.00 0.00 O ATOM 240 CB ARG A 16 -2.701 0.350 3.164 1.00 0.00 C ATOM 241 CG ARG A 16 -3.076 1.708 2.569 1.00 0.00 C ATOM 242 CD ARG A 16 -4.102 2.395 3.474 1.00 0.00 C ATOM 243 NE ARG A 16 -4.359 3.777 2.980 1.00 0.00 N ATOM 244 CZ ARG A 16 -3.449 4.701 3.126 1.00 0.00 C ATOM 245 NH1 ARG A 16 -2.309 4.411 3.693 1.00 0.00 N ATOM 246 NH2 ARG A 16 -3.678 5.915 2.707 1.00 0.00 N ATOM 0 H ARG A 16 -2.335 -2.044 3.715 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.052 -0.695 1.848 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.258 0.179 4.085 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.643 0.336 3.424 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.187 2.331 2.470 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.487 1.578 1.568 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.030 1.824 3.487 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.734 2.427 4.499 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.246 4.001 2.528 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.130 3.462 4.022 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.598 5.133 3.807 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.569 6.142 2.265 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.966 6.637 2.821 1.00 0.00 H new ATOM 260 N MET A 17 -2.702 -0.196 -0.178 1.00 0.00 N ATOM 261 CA MET A 17 -1.918 -0.020 -1.431 1.00 0.00 C ATOM 262 C MET A 17 -1.938 1.447 -1.863 1.00 0.00 C ATOM 263 O MET A 17 -2.989 2.042 -2.024 1.00 0.00 O ATOM 264 CB MET A 17 -2.547 -0.866 -2.531 1.00 0.00 C ATOM 265 CG MET A 17 -2.741 -2.288 -2.014 1.00 0.00 C ATOM 266 SD MET A 17 -2.631 -3.448 -3.394 1.00 0.00 S ATOM 267 CE MET A 17 -0.832 -3.605 -3.422 1.00 0.00 C ATOM 0 H MET A 17 -3.697 0.013 -0.262 1.00 0.00 H new ATOM 0 HA MET A 17 -0.888 -0.329 -1.255 1.00 0.00 H new ATOM 0 HB2 MET A 17 -3.505 -0.441 -2.832 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.908 -0.870 -3.414 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.983 -2.522 -1.267 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.710 -2.380 -1.524 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.520 -4.048 -4.368 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.379 -2.619 -3.316 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.510 -4.243 -2.599 1.00 0.00 H new ATOM 277 N ILE A 18 -0.780 2.027 -2.037 1.00 0.00 N ATOM 278 CA ILE A 18 -0.684 3.452 -2.440 1.00 0.00 C ATOM 279 C ILE A 18 -0.101 3.516 -3.861 1.00 0.00 C ATOM 280 O ILE A 18 0.571 2.601 -4.283 1.00 0.00 O ATOM 281 CB ILE A 18 0.270 4.148 -1.463 1.00 0.00 C ATOM 282 CG1 ILE A 18 1.091 3.080 -0.729 1.00 0.00 C ATOM 283 CG2 ILE A 18 -0.502 4.988 -0.438 1.00 0.00 C ATOM 284 CD1 ILE A 18 0.233 2.336 0.326 1.00 0.00 C ATOM 0 H ILE A 18 0.118 1.560 -1.913 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.660 3.936 -2.424 1.00 0.00 H new ATOM 0 HB ILE A 18 0.923 4.814 -2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.487 2.364 -1.449 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.946 3.547 -0.241 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.201 5.470 0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.085 5.749 -0.956 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.172 4.343 0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.844 1.586 0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.141 3.050 1.060 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.608 1.848 -0.167 1.00 0.00 H new ATOM 296 N PRO A 19 -0.342 4.578 -4.599 1.00 0.00 N ATOM 297 CA PRO A 19 -1.158 5.739 -4.151 1.00 0.00 C ATOM 298 C PRO A 19 -2.653 5.469 -4.317 1.00 0.00 C ATOM 299 O PRO A 19 -3.486 6.314 -4.056 1.00 0.00 O ATOM 300 CB PRO A 19 -0.714 6.864 -5.082 1.00 0.00 C ATOM 301 CG PRO A 19 -0.305 6.186 -6.347 1.00 0.00 C ATOM 302 CD PRO A 19 0.157 4.775 -5.971 1.00 0.00 C ATOM 0 HA PRO A 19 -1.014 5.967 -3.095 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.524 7.572 -5.259 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.114 7.428 -4.652 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.138 6.145 -7.049 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.498 6.737 -6.837 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.251 4.029 -6.653 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.243 4.688 -6.015 1.00 0.00 H new ATOM 310 N CYS A 20 -2.992 4.291 -4.758 1.00 0.00 N ATOM 311 CA CYS A 20 -4.424 3.942 -4.956 1.00 0.00 C ATOM 312 C CYS A 20 -5.179 4.131 -3.643 1.00 0.00 C ATOM 313 O CYS A 20 -6.327 4.529 -3.625 1.00 0.00 O ATOM 314 CB CYS A 20 -4.525 2.479 -5.392 1.00 0.00 C ATOM 315 SG CYS A 20 -5.924 2.277 -6.522 1.00 0.00 S ATOM 0 H CYS A 20 -2.332 3.549 -4.992 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.858 4.587 -5.720 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.601 2.171 -5.882 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.653 1.837 -4.520 1.00 0.00 H new ATOM 0 HG CYS A 20 -5.970 1.047 -6.940 1.00 0.00 H new ATOM 320 N LYS A 21 -4.543 3.836 -2.543 1.00 0.00 N ATOM 321 CA LYS A 21 -5.216 3.981 -1.228 1.00 0.00 C ATOM 322 C LYS A 21 -6.209 2.836 -1.072 1.00 0.00 C ATOM 323 O LYS A 21 -7.154 2.912 -0.312 1.00 0.00 O ATOM 324 CB LYS A 21 -5.957 5.318 -1.163 1.00 0.00 C ATOM 325 CG LYS A 21 -5.855 5.887 0.252 1.00 0.00 C ATOM 326 CD LYS A 21 -6.626 7.208 0.332 1.00 0.00 C ATOM 327 CE LYS A 21 -5.640 8.370 0.453 1.00 0.00 C ATOM 328 NZ LYS A 21 -6.363 9.658 0.249 1.00 0.00 N ATOM 0 H LYS A 21 -3.581 3.499 -2.501 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.478 3.954 -0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.529 6.019 -1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.003 5.180 -1.437 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.259 5.175 0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.810 6.048 0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.245 7.334 -0.556 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.298 7.197 1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.166 8.358 1.434 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.846 8.265 -0.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.693 10.449 0.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.795 9.667 -0.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.106 9.757 0.970 1.00 0.00 H new ATOM 342 N HIS A 22 -5.999 1.772 -1.797 1.00 0.00 N ATOM 343 CA HIS A 22 -6.930 0.617 -1.704 1.00 0.00 C ATOM 344 C HIS A 22 -6.434 -0.340 -0.624 1.00 0.00 C ATOM 345 O HIS A 22 -5.413 -0.107 -0.010 1.00 0.00 O ATOM 346 CB HIS A 22 -6.994 -0.105 -3.050 1.00 0.00 C ATOM 347 CG HIS A 22 -8.129 0.460 -3.858 1.00 0.00 C ATOM 348 ND1 HIS A 22 -7.934 1.051 -5.100 1.00 0.00 N ATOM 349 CD2 HIS A 22 -9.476 0.551 -3.607 1.00 0.00 C ATOM 350 CE1 HIS A 22 -9.137 1.470 -5.542 1.00 0.00 C ATOM 351 NE2 HIS A 22 -10.106 1.186 -4.669 1.00 0.00 N ATOM 0 H HIS A 22 -5.223 1.654 -2.449 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.928 0.971 -1.446 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -6.053 0.017 -3.587 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.138 -1.175 -2.897 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -7.044 1.150 -5.588 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.970 0.185 -2.719 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.297 1.973 -6.485 1.00 0.00 H new ATOM 359 N VAL A 23 -7.143 -1.411 -0.378 1.00 0.00 N ATOM 360 CA VAL A 23 -6.688 -2.363 0.674 1.00 0.00 C ATOM 361 C VAL A 23 -7.057 -3.800 0.299 1.00 0.00 C ATOM 362 O VAL A 23 -8.057 -4.055 -0.341 1.00 0.00 O ATOM 363 CB VAL A 23 -7.336 -2.014 2.016 1.00 0.00 C ATOM 364 CG1 VAL A 23 -7.449 -0.496 2.160 1.00 0.00 C ATOM 365 CG2 VAL A 23 -8.729 -2.643 2.089 1.00 0.00 C ATOM 0 H VAL A 23 -8.008 -1.665 -0.855 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.604 -2.282 0.757 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.718 -2.404 2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.911 -0.255 3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.455 -0.051 2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.062 -0.098 1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.191 -2.395 3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.345 -2.257 1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.645 -3.726 1.997 1.00 0.00 H new ATOM 375 N PHE A 24 -6.255 -4.737 0.721 1.00 0.00 N ATOM 376 CA PHE A 24 -6.542 -6.175 0.432 1.00 0.00 C ATOM 377 C PHE A 24 -5.793 -7.026 1.449 1.00 0.00 C ATOM 378 O PHE A 24 -4.964 -6.531 2.182 1.00 0.00 O ATOM 379 CB PHE A 24 -6.058 -6.556 -0.969 1.00 0.00 C ATOM 380 CG PHE A 24 -6.471 -5.513 -1.972 1.00 0.00 C ATOM 381 CD1 PHE A 24 -7.747 -5.552 -2.545 1.00 0.00 C ATOM 382 CD2 PHE A 24 -5.567 -4.517 -2.343 1.00 0.00 C ATOM 383 CE1 PHE A 24 -8.117 -4.588 -3.490 1.00 0.00 C ATOM 384 CE2 PHE A 24 -5.933 -3.555 -3.290 1.00 0.00 C ATOM 385 CZ PHE A 24 -7.209 -3.588 -3.865 1.00 0.00 C ATOM 0 H PHE A 24 -5.405 -4.569 1.259 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.618 -6.341 0.490 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.973 -6.660 -0.969 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.471 -7.524 -1.252 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.445 -6.325 -2.259 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.583 -4.489 -1.898 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.103 -4.615 -3.931 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.231 -2.786 -3.578 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.493 -2.845 -4.596 1.00 0.00 H new ATOM 395 N CYS A 25 -6.058 -8.301 1.505 1.00 0.00 N ATOM 396 CA CYS A 25 -5.323 -9.140 2.492 1.00 0.00 C ATOM 397 C CYS A 25 -3.825 -8.876 2.343 1.00 0.00 C ATOM 398 O CYS A 25 -3.223 -9.206 1.341 1.00 0.00 O ATOM 399 CB CYS A 25 -5.610 -10.626 2.263 1.00 0.00 C ATOM 400 SG CYS A 25 -6.696 -10.839 0.837 1.00 0.00 S ATOM 0 H CYS A 25 -6.737 -8.791 0.923 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.654 -8.880 3.498 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.676 -11.164 2.101 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.075 -11.055 3.151 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.357 -11.915 0.190 1.00 0.00 H new ATOM 405 N TYR A 26 -3.220 -8.277 3.332 1.00 0.00 N ATOM 406 CA TYR A 26 -1.761 -7.982 3.250 1.00 0.00 C ATOM 407 C TYR A 26 -1.002 -9.251 2.865 1.00 0.00 C ATOM 408 O TYR A 26 0.137 -9.198 2.448 1.00 0.00 O ATOM 409 CB TYR A 26 -1.280 -7.453 4.605 1.00 0.00 C ATOM 410 CG TYR A 26 0.183 -7.051 4.546 1.00 0.00 C ATOM 411 CD1 TYR A 26 0.628 -6.085 3.627 1.00 0.00 C ATOM 412 CD2 TYR A 26 1.098 -7.640 5.429 1.00 0.00 C ATOM 413 CE1 TYR A 26 1.978 -5.720 3.594 1.00 0.00 C ATOM 414 CE2 TYR A 26 2.447 -7.272 5.393 1.00 0.00 C ATOM 415 CZ TYR A 26 2.888 -6.314 4.476 1.00 0.00 C ATOM 416 OH TYR A 26 4.218 -5.951 4.442 1.00 0.00 O ATOM 0 H TYR A 26 -3.674 -7.978 4.195 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.575 -7.225 2.488 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.885 -6.595 4.900 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.420 -8.219 5.368 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.073 -5.624 2.946 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.761 -8.380 6.139 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.319 -4.978 2.887 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.149 -7.729 6.075 1.00 0.00 H new ATOM 0 HH TYR A 26 4.713 -6.457 5.120 1.00 0.00 H new ATOM 426 N ASP A 27 -1.627 -10.388 2.971 1.00 0.00 N ATOM 427 CA ASP A 27 -0.936 -11.645 2.578 1.00 0.00 C ATOM 428 C ASP A 27 -1.052 -11.795 1.066 1.00 0.00 C ATOM 429 O ASP A 27 -0.176 -12.313 0.407 1.00 0.00 O ATOM 430 CB ASP A 27 -1.591 -12.840 3.275 1.00 0.00 C ATOM 431 CG ASP A 27 -2.604 -12.338 4.306 1.00 0.00 C ATOM 432 OD1 ASP A 27 -2.230 -11.510 5.120 1.00 0.00 O ATOM 433 OD2 ASP A 27 -3.736 -12.792 4.265 1.00 0.00 O ATOM 0 H ASP A 27 -2.582 -10.502 3.311 1.00 0.00 H new ATOM 0 HA ASP A 27 0.113 -11.608 2.873 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.087 -13.475 2.541 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.832 -13.451 3.763 1.00 0.00 H new ATOM 438 N CYS A 28 -2.133 -11.334 0.509 1.00 0.00 N ATOM 439 CA CYS A 28 -2.295 -11.425 -0.961 1.00 0.00 C ATOM 440 C CYS A 28 -1.625 -10.215 -1.601 1.00 0.00 C ATOM 441 O CYS A 28 -1.192 -10.256 -2.736 1.00 0.00 O ATOM 442 CB CYS A 28 -3.780 -11.456 -1.323 1.00 0.00 C ATOM 443 SG CYS A 28 -4.303 -9.811 -1.868 1.00 0.00 S ATOM 0 H CYS A 28 -2.909 -10.899 1.008 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.832 -12.341 -1.329 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.958 -12.186 -2.113 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.369 -11.769 -0.461 1.00 0.00 H new ATOM 0 HG CYS A 28 -5.524 -9.868 -2.310 1.00 0.00 H new ATOM 448 N ALA A 29 -1.532 -9.138 -0.875 1.00 0.00 N ATOM 449 CA ALA A 29 -0.889 -7.927 -1.425 1.00 0.00 C ATOM 450 C ALA A 29 0.616 -8.165 -1.506 1.00 0.00 C ATOM 451 O ALA A 29 1.280 -7.711 -2.420 1.00 0.00 O ATOM 452 CB ALA A 29 -1.199 -6.746 -0.499 1.00 0.00 C ATOM 0 H ALA A 29 -1.877 -9.049 0.081 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.266 -7.705 -2.423 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.731 -5.843 -0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.278 -6.601 -0.444 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.809 -6.953 0.498 1.00 0.00 H new ATOM 458 N ILE A 30 1.161 -8.886 -0.568 1.00 0.00 N ATOM 459 CA ILE A 30 2.614 -9.157 -0.604 1.00 0.00 C ATOM 460 C ILE A 30 2.867 -10.357 -1.504 1.00 0.00 C ATOM 461 O ILE A 30 3.856 -10.419 -2.206 1.00 0.00 O ATOM 462 CB ILE A 30 3.115 -9.445 0.805 1.00 0.00 C ATOM 463 CG1 ILE A 30 2.422 -10.683 1.366 1.00 0.00 C ATOM 464 CG2 ILE A 30 2.796 -8.254 1.693 1.00 0.00 C ATOM 465 CD1 ILE A 30 3.371 -11.883 1.308 1.00 0.00 C ATOM 0 H ILE A 30 0.659 -9.297 0.219 1.00 0.00 H new ATOM 0 HA ILE A 30 3.146 -8.290 -0.995 1.00 0.00 H new ATOM 0 HB ILE A 30 4.190 -9.620 0.776 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.113 -10.502 2.396 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.518 -10.895 0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.151 -8.449 2.705 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.290 -7.365 1.301 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.718 -8.092 1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.869 -12.763 1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.658 -12.070 0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.262 -11.671 1.899 1.00 0.00 H new ATOM 477 N LEU A 31 1.975 -11.309 -1.508 1.00 0.00 N ATOM 478 CA LEU A 31 2.189 -12.481 -2.392 1.00 0.00 C ATOM 479 C LEU A 31 2.056 -12.012 -3.837 1.00 0.00 C ATOM 480 O LEU A 31 2.590 -12.614 -4.744 1.00 0.00 O ATOM 481 CB LEU A 31 1.153 -13.565 -2.099 1.00 0.00 C ATOM 482 CG LEU A 31 1.678 -14.486 -0.996 1.00 0.00 C ATOM 483 CD1 LEU A 31 0.503 -15.185 -0.310 1.00 0.00 C ATOM 484 CD2 LEU A 31 2.610 -15.542 -1.602 1.00 0.00 C ATOM 0 H LEU A 31 1.123 -11.325 -0.947 1.00 0.00 H new ATOM 0 HA LEU A 31 3.179 -12.903 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.212 -13.110 -1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.948 -14.141 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 31 2.228 -13.892 -0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.878 -15.841 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.160 -14.438 0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.048 -15.775 -1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.981 -16.196 -0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.062 -16.134 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.451 -15.048 -2.090 1.00 0.00 H new ATOM 496 N HIS A 32 1.367 -10.921 -4.060 1.00 0.00 N ATOM 497 CA HIS A 32 1.228 -10.411 -5.445 1.00 0.00 C ATOM 498 C HIS A 32 2.478 -9.608 -5.784 1.00 0.00 C ATOM 499 O HIS A 32 3.009 -9.685 -6.875 1.00 0.00 O ATOM 500 CB HIS A 32 -0.006 -9.510 -5.542 1.00 0.00 C ATOM 501 CG HIS A 32 -1.181 -10.319 -6.021 1.00 0.00 C ATOM 502 ND1 HIS A 32 -1.785 -10.090 -7.249 1.00 0.00 N ATOM 503 CD2 HIS A 32 -1.873 -11.359 -5.449 1.00 0.00 C ATOM 504 CE1 HIS A 32 -2.794 -10.973 -7.375 1.00 0.00 C ATOM 505 NE2 HIS A 32 -2.888 -11.766 -6.307 1.00 0.00 N ATOM 0 H HIS A 32 0.899 -10.368 -3.342 1.00 0.00 H new ATOM 0 HA HIS A 32 1.112 -11.241 -6.142 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -0.226 -9.070 -4.569 1.00 0.00 H new ATOM 0 HB3 HIS A 32 0.186 -8.685 -6.229 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -1.661 -11.793 -4.483 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -3.446 -11.032 -8.234 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -3.563 -12.515 -6.152 1.00 0.00 H new ATOM 514 N GLU A 33 2.955 -8.839 -4.849 1.00 0.00 N ATOM 515 CA GLU A 33 4.173 -8.028 -5.103 1.00 0.00 C ATOM 516 C GLU A 33 5.375 -8.948 -5.322 1.00 0.00 C ATOM 517 O GLU A 33 6.240 -8.668 -6.127 1.00 0.00 O ATOM 518 CB GLU A 33 4.441 -7.119 -3.903 1.00 0.00 C ATOM 519 CG GLU A 33 4.339 -5.659 -4.339 1.00 0.00 C ATOM 520 CD GLU A 33 4.752 -4.748 -3.182 1.00 0.00 C ATOM 521 OE1 GLU A 33 4.870 -5.248 -2.074 1.00 0.00 O ATOM 522 OE2 GLU A 33 4.943 -3.568 -3.422 1.00 0.00 O ATOM 0 H GLU A 33 2.552 -8.737 -3.917 1.00 0.00 H new ATOM 0 HA GLU A 33 4.018 -7.421 -5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.722 -7.324 -3.110 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.432 -7.320 -3.495 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.980 -5.481 -5.202 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.319 -5.432 -4.648 1.00 0.00 H new ATOM 529 N LYS A 34 5.446 -10.043 -4.612 1.00 0.00 N ATOM 530 CA LYS A 34 6.606 -10.957 -4.795 1.00 0.00 C ATOM 531 C LYS A 34 6.359 -11.872 -5.996 1.00 0.00 C ATOM 532 O LYS A 34 7.285 -12.329 -6.636 1.00 0.00 O ATOM 533 CB LYS A 34 6.813 -11.794 -3.528 1.00 0.00 C ATOM 534 CG LYS A 34 5.867 -12.996 -3.529 1.00 0.00 C ATOM 535 CD LYS A 34 5.796 -13.581 -2.117 1.00 0.00 C ATOM 536 CE LYS A 34 7.200 -13.975 -1.656 1.00 0.00 C ATOM 537 NZ LYS A 34 7.881 -12.787 -1.067 1.00 0.00 N ATOM 0 H LYS A 34 4.757 -10.340 -3.921 1.00 0.00 H new ATOM 0 HA LYS A 34 7.504 -10.367 -4.978 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.847 -12.135 -3.474 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.633 -11.181 -2.645 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.874 -12.692 -3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.220 -13.751 -4.231 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.368 -12.850 -1.430 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.140 -14.452 -2.105 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.141 -14.776 -0.919 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.777 -14.358 -2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.657 -12.487 -1.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.197 -12.010 -0.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.264 -13.035 -0.132 1.00 0.00 H new ATOM 614 N MET A 39 1.373 -4.759 -9.007 1.00 0.00 N ATOM 615 CA MET A 39 0.195 -3.944 -9.405 1.00 0.00 C ATOM 616 C MET A 39 -0.906 -4.099 -8.350 1.00 0.00 C ATOM 617 O MET A 39 -0.924 -5.057 -7.607 1.00 0.00 O ATOM 618 CB MET A 39 -0.334 -4.451 -10.741 1.00 0.00 C ATOM 619 CG MET A 39 -1.076 -5.762 -10.498 1.00 0.00 C ATOM 620 SD MET A 39 -1.139 -6.719 -12.033 1.00 0.00 S ATOM 621 CE MET A 39 -2.546 -7.767 -11.591 1.00 0.00 C ATOM 0 HA MET A 39 0.486 -2.897 -9.489 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.001 -3.715 -11.189 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.487 -4.604 -11.441 1.00 0.00 H new ATOM 0 HG2 MET A 39 -0.574 -6.337 -9.720 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.086 -5.559 -10.143 1.00 0.00 H new ATOM 0 HE1 MET A 39 -2.763 -8.450 -12.412 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.305 -8.341 -10.696 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.418 -7.143 -11.398 1.00 0.00 H new ATOM 631 N CYS A 40 -1.828 -3.175 -8.289 1.00 0.00 N ATOM 632 CA CYS A 40 -2.938 -3.280 -7.292 1.00 0.00 C ATOM 633 C CYS A 40 -3.936 -4.361 -7.762 1.00 0.00 C ATOM 634 O CYS A 40 -4.573 -4.192 -8.779 1.00 0.00 O ATOM 635 CB CYS A 40 -3.661 -1.929 -7.213 1.00 0.00 C ATOM 636 SG CYS A 40 -5.176 -2.101 -6.236 1.00 0.00 S ATOM 0 H CYS A 40 -1.862 -2.350 -8.887 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.539 -3.547 -6.314 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.008 -1.183 -6.760 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.902 -1.576 -8.216 1.00 0.00 H new ATOM 0 HG CYS A 40 -5.003 -3.011 -5.324 1.00 0.00 H new ATOM 641 N PRO A 41 -4.094 -5.466 -7.056 1.00 0.00 N ATOM 642 CA PRO A 41 -5.049 -6.531 -7.481 1.00 0.00 C ATOM 643 C PRO A 41 -6.454 -5.982 -7.744 1.00 0.00 C ATOM 644 O PRO A 41 -7.271 -6.622 -8.376 1.00 0.00 O ATOM 645 CB PRO A 41 -5.081 -7.503 -6.300 1.00 0.00 C ATOM 646 CG PRO A 41 -3.799 -7.291 -5.576 1.00 0.00 C ATOM 647 CD PRO A 41 -3.408 -5.834 -5.802 1.00 0.00 C ATOM 0 HA PRO A 41 -4.733 -6.993 -8.417 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.935 -7.305 -5.652 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.173 -8.534 -6.642 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.915 -7.501 -4.513 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.026 -7.962 -5.951 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.728 -5.203 -4.973 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.328 -5.721 -5.891 1.00 0.00 H new ATOM 655 N GLY A 42 -6.746 -4.803 -7.260 1.00 0.00 N ATOM 656 CA GLY A 42 -8.103 -4.228 -7.480 1.00 0.00 C ATOM 657 C GLY A 42 -8.098 -3.343 -8.725 1.00 0.00 C ATOM 658 O GLY A 42 -8.845 -3.564 -9.658 1.00 0.00 O ATOM 0 H GLY A 42 -6.106 -4.217 -6.724 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.832 -5.030 -7.596 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.406 -3.645 -6.610 1.00 0.00 H new ATOM 662 N CYS A 43 -7.271 -2.333 -8.745 1.00 0.00 N ATOM 663 CA CYS A 43 -7.233 -1.426 -9.925 1.00 0.00 C ATOM 664 C CYS A 43 -6.162 -1.885 -10.918 1.00 0.00 C ATOM 665 O CYS A 43 -6.240 -1.605 -12.097 1.00 0.00 O ATOM 666 CB CYS A 43 -6.920 -0.006 -9.460 1.00 0.00 C ATOM 667 SG CYS A 43 -7.768 0.305 -7.895 1.00 0.00 S ATOM 0 H CYS A 43 -6.621 -2.098 -7.995 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.204 -1.449 -10.420 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -5.844 0.121 -9.336 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.241 0.715 -10.212 1.00 0.00 H new ATOM 0 HG CYS A 43 -7.355 1.431 -7.394 1.00 0.00 H new ATOM 672 N SER A 44 -5.168 -2.586 -10.449 1.00 0.00 N ATOM 673 CA SER A 44 -4.087 -3.068 -11.356 1.00 0.00 C ATOM 674 C SER A 44 -3.146 -1.912 -11.703 1.00 0.00 C ATOM 675 O SER A 44 -2.710 -1.774 -12.829 1.00 0.00 O ATOM 676 CB SER A 44 -4.706 -3.637 -12.635 1.00 0.00 C ATOM 677 OG SER A 44 -4.756 -2.622 -13.630 1.00 0.00 O ATOM 0 H SER A 44 -5.057 -2.848 -9.470 1.00 0.00 H new ATOM 0 HA SER A 44 -3.518 -3.850 -10.854 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.117 -4.482 -12.992 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.709 -4.011 -12.431 1.00 0.00 H new ATOM 0 HG SER A 44 -5.471 -1.988 -13.415 1.00 0.00 H new ATOM 683 N ASP A 45 -2.824 -1.089 -10.735 1.00 0.00 N ATOM 684 CA ASP A 45 -1.904 0.059 -10.984 1.00 0.00 C ATOM 685 C ASP A 45 -0.622 -0.144 -10.170 1.00 0.00 C ATOM 686 O ASP A 45 -0.613 -0.866 -9.194 1.00 0.00 O ATOM 687 CB ASP A 45 -2.583 1.361 -10.552 1.00 0.00 C ATOM 688 CG ASP A 45 -3.062 2.121 -11.790 1.00 0.00 C ATOM 689 OD1 ASP A 45 -3.608 1.486 -12.677 1.00 0.00 O ATOM 690 OD2 ASP A 45 -2.876 3.327 -11.829 1.00 0.00 O ATOM 0 H ASP A 45 -3.163 -1.166 -9.776 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.662 0.115 -12.045 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.426 1.144 -9.897 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.886 1.975 -9.982 1.00 0.00 H new ATOM 695 N PRO A 46 0.455 0.488 -10.565 1.00 0.00 N ATOM 696 CA PRO A 46 1.764 0.366 -9.857 1.00 0.00 C ATOM 697 C PRO A 46 1.661 0.761 -8.382 1.00 0.00 C ATOM 698 O PRO A 46 1.801 1.914 -8.027 1.00 0.00 O ATOM 699 CB PRO A 46 2.696 1.330 -10.606 1.00 0.00 C ATOM 700 CG PRO A 46 1.812 2.193 -11.447 1.00 0.00 C ATOM 701 CD PRO A 46 0.545 1.388 -11.721 1.00 0.00 C ATOM 0 HA PRO A 46 2.123 -0.663 -9.859 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.277 1.932 -9.907 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.408 0.782 -11.224 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.575 3.123 -10.931 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.308 2.463 -12.379 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.331 2.032 -11.798 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.616 0.834 -12.657 1.00 0.00 H new ATOM 709 N VAL A 47 1.414 -0.188 -7.519 1.00 0.00 N ATOM 710 CA VAL A 47 1.299 0.137 -6.069 1.00 0.00 C ATOM 711 C VAL A 47 2.638 0.704 -5.575 1.00 0.00 C ATOM 712 O VAL A 47 3.636 0.016 -5.501 1.00 0.00 O ATOM 713 CB VAL A 47 0.906 -1.115 -5.283 1.00 0.00 C ATOM 714 CG1 VAL A 47 -0.263 -1.809 -5.996 1.00 0.00 C ATOM 715 CG2 VAL A 47 2.092 -2.075 -5.185 1.00 0.00 C ATOM 0 H VAL A 47 1.287 -1.172 -7.755 1.00 0.00 H new ATOM 0 HA VAL A 47 0.522 0.886 -5.915 1.00 0.00 H new ATOM 0 HB VAL A 47 0.607 -0.827 -4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.549 -2.703 -5.441 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.112 -1.128 -6.049 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.041 -2.090 -7.004 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.797 -2.961 -4.623 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.406 -2.368 -6.187 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.919 -1.581 -4.675 1.00 0.00 H new ATOM 725 N GLN A 48 2.664 1.967 -5.250 1.00 0.00 N ATOM 726 CA GLN A 48 3.920 2.603 -4.773 1.00 0.00 C ATOM 727 C GLN A 48 4.552 1.715 -3.723 1.00 0.00 C ATOM 728 O GLN A 48 5.670 1.259 -3.863 1.00 0.00 O ATOM 729 CB GLN A 48 3.600 3.964 -4.153 1.00 0.00 C ATOM 730 CG GLN A 48 4.256 5.065 -4.981 1.00 0.00 C ATOM 731 CD GLN A 48 3.790 6.432 -4.478 1.00 0.00 C ATOM 732 OE1 GLN A 48 4.040 6.794 -3.345 1.00 0.00 O ATOM 733 NE2 GLN A 48 3.116 7.213 -5.277 1.00 0.00 N ATOM 0 H GLN A 48 1.858 2.591 -5.296 1.00 0.00 H new ATOM 0 HA GLN A 48 4.605 2.737 -5.610 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.521 4.115 -4.117 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.962 4.002 -3.125 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.341 4.990 -4.909 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.997 4.946 -6.033 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.906 6.910 -6.228 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.800 8.126 -4.950 1.00 0.00 H new ATOM 742 N ARG A 49 3.839 1.457 -2.675 1.00 0.00 N ATOM 743 CA ARG A 49 4.397 0.581 -1.616 1.00 0.00 C ATOM 744 C ARG A 49 3.265 0.068 -0.741 1.00 0.00 C ATOM 745 O ARG A 49 2.495 0.824 -0.208 1.00 0.00 O ATOM 746 CB ARG A 49 5.399 1.360 -0.766 1.00 0.00 C ATOM 747 CG ARG A 49 4.719 2.588 -0.157 1.00 0.00 C ATOM 748 CD ARG A 49 5.788 3.559 0.340 1.00 0.00 C ATOM 749 NE ARG A 49 5.147 4.638 1.142 1.00 0.00 N ATOM 750 CZ ARG A 49 5.880 5.572 1.686 1.00 0.00 C ATOM 751 NH1 ARG A 49 7.176 5.559 1.526 1.00 0.00 N ATOM 752 NH2 ARG A 49 5.319 6.516 2.389 1.00 0.00 N ATOM 0 H ARG A 49 2.898 1.811 -2.503 1.00 0.00 H new ATOM 0 HA ARG A 49 4.911 -0.262 -2.078 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.793 0.721 0.025 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.247 1.669 -1.378 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.086 3.074 -0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.071 2.289 0.667 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.522 3.028 0.946 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.324 3.990 -0.506 1.00 0.00 H new ATOM 0 HE ARG A 49 4.135 4.647 1.266 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.615 4.820 0.977 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.750 6.288 1.950 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.307 6.525 2.514 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.892 7.245 2.813 1.00 0.00 H new ATOM 766 N ILE A 50 3.159 -1.210 -0.577 1.00 0.00 N ATOM 767 CA ILE A 50 2.057 -1.743 0.259 1.00 0.00 C ATOM 768 C ILE A 50 2.354 -1.488 1.718 1.00 0.00 C ATOM 769 O ILE A 50 3.485 -1.541 2.158 1.00 0.00 O ATOM 770 CB ILE A 50 1.899 -3.250 0.078 1.00 0.00 C ATOM 771 CG1 ILE A 50 2.194 -3.650 -1.366 1.00 0.00 C ATOM 772 CG2 ILE A 50 0.473 -3.657 0.447 1.00 0.00 C ATOM 773 CD1 ILE A 50 2.054 -5.168 -1.515 1.00 0.00 C ATOM 0 H ILE A 50 3.782 -1.909 -0.982 1.00 0.00 H new ATOM 0 HA ILE A 50 1.141 -1.240 -0.051 1.00 0.00 H new ATOM 0 HB ILE A 50 2.607 -3.761 0.730 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.506 -3.143 -2.043 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.201 -3.338 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.357 -4.733 0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.276 -3.392 1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.233 -3.136 -0.200 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.265 -5.453 -2.546 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.759 -5.666 -0.849 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.038 -5.467 -1.256 1.00 0.00 H new ATOM 785 N GLU A 51 1.334 -1.221 2.466 1.00 0.00 N ATOM 786 CA GLU A 51 1.522 -0.966 3.915 1.00 0.00 C ATOM 787 C GLU A 51 0.411 -1.646 4.703 1.00 0.00 C ATOM 788 O GLU A 51 -0.724 -1.718 4.276 1.00 0.00 O ATOM 789 CB GLU A 51 1.523 0.536 4.155 1.00 0.00 C ATOM 790 CG GLU A 51 2.528 1.156 3.192 1.00 0.00 C ATOM 791 CD GLU A 51 2.731 2.633 3.535 1.00 0.00 C ATOM 792 OE1 GLU A 51 3.524 2.912 4.419 1.00 0.00 O ATOM 793 OE2 GLU A 51 2.089 3.461 2.909 1.00 0.00 O ATOM 0 H GLU A 51 0.370 -1.167 2.137 1.00 0.00 H new ATOM 0 HA GLU A 51 2.474 -1.376 4.251 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.529 0.951 3.990 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.794 0.759 5.187 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.478 0.625 3.252 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.172 1.057 2.167 1.00 0.00 H new ATOM 800 N GLN A 52 0.746 -2.161 5.847 1.00 0.00 N ATOM 801 CA GLN A 52 -0.268 -2.867 6.678 1.00 0.00 C ATOM 802 C GLN A 52 -1.063 -1.858 7.505 1.00 0.00 C ATOM 803 O GLN A 52 -0.541 -0.858 7.958 1.00 0.00 O ATOM 804 CB GLN A 52 0.436 -3.853 7.613 1.00 0.00 C ATOM 805 CG GLN A 52 0.933 -3.116 8.858 1.00 0.00 C ATOM 806 CD GLN A 52 2.033 -3.937 9.534 1.00 0.00 C ATOM 807 OE1 GLN A 52 3.204 -3.665 9.360 1.00 0.00 O ATOM 808 NE2 GLN A 52 1.703 -4.940 10.302 1.00 0.00 N ATOM 0 H GLN A 52 1.683 -2.125 6.247 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.952 -3.407 6.023 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.250 -4.650 7.900 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.274 -4.323 7.098 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.316 -2.133 8.583 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.108 -2.954 9.551 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.720 -5.168 10.448 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.428 -5.495 10.756 1.00 0.00 H new ATOM 817 N CYS A 53 -2.325 -2.118 7.708 1.00 0.00 N ATOM 818 CA CYS A 53 -3.161 -1.182 8.510 1.00 0.00 C ATOM 819 C CYS A 53 -4.209 -1.976 9.295 1.00 0.00 C ATOM 820 O CYS A 53 -4.536 -3.095 8.955 1.00 0.00 O ATOM 821 CB CYS A 53 -3.862 -0.195 7.575 1.00 0.00 C ATOM 822 SG CYS A 53 -3.135 1.451 7.780 1.00 0.00 S ATOM 0 H CYS A 53 -2.814 -2.940 7.352 1.00 0.00 H new ATOM 0 HA CYS A 53 -2.526 -0.634 9.206 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -3.760 -0.523 6.540 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.929 -0.163 7.796 1.00 0.00 H new ATOM 0 HG CYS A 53 -3.729 2.290 6.984 1.00 0.00 H new ATOM 827 N THR A 54 -4.737 -1.406 10.345 1.00 0.00 N ATOM 828 CA THR A 54 -5.762 -2.131 11.147 1.00 0.00 C ATOM 829 C THR A 54 -7.121 -2.013 10.453 1.00 0.00 C ATOM 830 O THR A 54 -7.321 -1.171 9.600 1.00 0.00 O ATOM 831 CB THR A 54 -5.848 -1.514 12.545 1.00 0.00 C ATOM 832 OG1 THR A 54 -5.015 -0.364 12.605 1.00 0.00 O ATOM 833 CG2 THR A 54 -5.384 -2.537 13.584 1.00 0.00 C ATOM 0 H THR A 54 -4.503 -0.472 10.681 1.00 0.00 H new ATOM 0 HA THR A 54 -5.484 -3.181 11.232 1.00 0.00 H new ATOM 0 HB THR A 54 -6.879 -1.228 12.754 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.070 0.034 13.499 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.445 -2.098 14.580 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.023 -3.419 13.537 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.353 -2.824 13.377 1.00 0.00 H new ATOM 841 N ARG A 55 -8.053 -2.857 10.801 1.00 0.00 N ATOM 842 CA ARG A 55 -9.391 -2.791 10.147 1.00 0.00 C ATOM 843 C ARG A 55 -10.094 -1.489 10.524 1.00 0.00 C ATOM 844 O ARG A 55 -10.424 -0.687 9.673 1.00 0.00 O ATOM 845 CB ARG A 55 -10.243 -3.990 10.577 1.00 0.00 C ATOM 846 CG ARG A 55 -10.389 -4.011 12.102 1.00 0.00 C ATOM 847 CD ARG A 55 -10.621 -5.449 12.571 1.00 0.00 C ATOM 848 NE ARG A 55 -9.435 -6.281 12.224 1.00 0.00 N ATOM 849 CZ ARG A 55 -8.367 -6.238 12.972 1.00 0.00 C ATOM 850 NH1 ARG A 55 -8.337 -5.467 14.024 1.00 0.00 N ATOM 851 NH2 ARG A 55 -7.327 -6.967 12.668 1.00 0.00 N ATOM 0 H ARG A 55 -7.947 -3.586 11.506 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.258 -2.820 9.066 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.226 -3.933 10.110 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.781 -4.916 10.235 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.492 -3.605 12.570 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.222 -3.378 12.407 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.790 -5.469 13.648 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.515 -5.857 12.100 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.458 -6.884 11.402 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.149 -4.897 14.262 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.502 -5.434 14.608 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.350 -7.570 11.846 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.492 -6.933 13.253 1.00 0.00 H new ATOM 865 N GLY A 56 -10.327 -1.263 11.783 1.00 0.00 N ATOM 866 CA GLY A 56 -11.007 -0.005 12.189 1.00 0.00 C ATOM 867 C GLY A 56 -10.034 1.164 12.036 1.00 0.00 C ATOM 868 O GLY A 56 -10.193 2.198 12.653 1.00 0.00 O ATOM 0 H GLY A 56 -10.078 -1.892 12.547 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.891 0.159 11.573 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.347 -0.078 13.222 1.00 0.00 H new ATOM 872 N SER A 57 -9.015 1.007 11.230 1.00 0.00 N ATOM 873 CA SER A 57 -8.034 2.114 11.063 1.00 0.00 C ATOM 874 C SER A 57 -8.471 3.017 9.914 1.00 0.00 C ATOM 875 O SER A 57 -8.022 4.140 9.792 1.00 0.00 O ATOM 876 CB SER A 57 -6.652 1.534 10.756 1.00 0.00 C ATOM 877 OG SER A 57 -5.664 2.290 11.443 1.00 0.00 O ATOM 0 H SER A 57 -8.823 0.166 10.686 1.00 0.00 H new ATOM 0 HA SER A 57 -7.988 2.695 11.984 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.607 0.489 11.064 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.464 1.559 9.683 1.00 0.00 H new ATOM 0 HG SER A 57 -5.126 1.693 12.004 1.00 0.00 H new ATOM 883 N LEU A 58 -9.341 2.527 9.070 1.00 0.00 N ATOM 884 CA LEU A 58 -9.817 3.337 7.913 1.00 0.00 C ATOM 885 C LEU A 58 -11.327 3.542 8.022 1.00 0.00 C ATOM 886 O LEU A 58 -11.974 2.978 8.882 1.00 0.00 O ATOM 887 CB LEU A 58 -9.507 2.609 6.608 1.00 0.00 C ATOM 888 CG LEU A 58 -8.121 1.963 6.676 1.00 0.00 C ATOM 889 CD1 LEU A 58 -7.847 1.233 5.364 1.00 0.00 C ATOM 890 CD2 LEU A 58 -7.054 3.041 6.884 1.00 0.00 C ATOM 0 H LEU A 58 -9.745 1.592 9.135 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.310 4.302 7.921 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.263 1.846 6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.549 3.310 5.774 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.090 1.261 7.509 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.861 0.770 5.404 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.604 0.463 5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.880 1.944 4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.070 2.575 6.932 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.082 3.746 6.053 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.249 3.571 7.816 1.00 0.00 H new ATOM 902 N PHE A 59 -11.887 4.348 7.155 1.00 0.00 N ATOM 903 CA PHE A 59 -13.357 4.602 7.197 1.00 0.00 C ATOM 904 C PHE A 59 -14.008 4.037 5.931 1.00 0.00 C ATOM 905 O PHE A 59 -13.714 4.457 4.830 1.00 0.00 O ATOM 906 CB PHE A 59 -13.605 6.109 7.285 1.00 0.00 C ATOM 907 CG PHE A 59 -12.902 6.662 8.502 1.00 0.00 C ATOM 908 CD1 PHE A 59 -11.509 6.797 8.505 1.00 0.00 C ATOM 909 CD2 PHE A 59 -13.644 7.037 9.629 1.00 0.00 C ATOM 910 CE1 PHE A 59 -10.858 7.307 9.634 1.00 0.00 C ATOM 911 CE2 PHE A 59 -12.993 7.548 10.758 1.00 0.00 C ATOM 912 CZ PHE A 59 -11.599 7.682 10.760 1.00 0.00 C ATOM 0 H PHE A 59 -11.386 4.843 6.417 1.00 0.00 H new ATOM 0 HA PHE A 59 -13.792 4.114 8.069 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.239 6.602 6.384 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -14.675 6.310 7.346 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -10.936 6.508 7.636 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -14.719 6.932 9.627 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -9.783 7.411 9.636 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -13.565 7.839 11.627 1.00 0.00 H new ATOM 0 HZ PHE A 59 -11.096 8.075 11.631 1.00 0.00 H new ATOM 922 N MET A 60 -14.879 3.076 6.081 1.00 0.00 N ATOM 923 CA MET A 60 -15.540 2.465 4.889 1.00 0.00 C ATOM 924 C MET A 60 -16.727 3.323 4.440 1.00 0.00 C ATOM 925 O MET A 60 -17.432 3.899 5.244 1.00 0.00 O ATOM 926 CB MET A 60 -16.039 1.064 5.250 1.00 0.00 C ATOM 927 CG MET A 60 -14.849 0.166 5.592 1.00 0.00 C ATOM 928 SD MET A 60 -14.163 0.656 7.195 1.00 0.00 S ATOM 929 CE MET A 60 -12.670 -0.363 7.123 1.00 0.00 C ATOM 0 H MET A 60 -15.163 2.686 6.980 1.00 0.00 H new ATOM 0 HA MET A 60 -14.817 2.406 4.075 1.00 0.00 H new ATOM 0 HB2 MET A 60 -16.722 1.118 6.098 1.00 0.00 H new ATOM 0 HB3 MET A 60 -16.599 0.641 4.416 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.164 -0.877 5.623 1.00 0.00 H new ATOM 0 HG3 MET A 60 -14.086 0.246 4.818 1.00 0.00 H new ATOM 0 HE1 MET A 60 -12.682 -1.084 7.940 1.00 0.00 H new ATOM 0 HE2 MET A 60 -12.637 -0.894 6.172 1.00 0.00 H new ATOM 0 HE3 MET A 60 -11.790 0.274 7.214 1.00 0.00 H new ATOM 939 N CYS A 61 -16.953 3.398 3.153 1.00 0.00 N ATOM 940 CA CYS A 61 -18.095 4.202 2.629 1.00 0.00 C ATOM 941 C CYS A 61 -19.263 3.262 2.312 1.00 0.00 C ATOM 942 O CYS A 61 -19.267 2.577 1.309 1.00 0.00 O ATOM 943 CB CYS A 61 -17.659 4.928 1.352 1.00 0.00 C ATOM 944 SG CYS A 61 -19.105 5.268 0.317 1.00 0.00 S ATOM 0 H CYS A 61 -16.391 2.933 2.440 1.00 0.00 H new ATOM 0 HA CYS A 61 -18.406 4.935 3.373 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -17.155 5.860 1.607 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -16.942 4.318 0.802 1.00 0.00 H new ATOM 0 HG CYS A 61 -19.740 4.159 0.081 1.00 0.00 H new ATOM 1051 N ARG A 69 -14.323 3.081 -1.359 1.00 0.00 N ATOM 1052 CA ARG A 69 -12.983 3.711 -1.213 1.00 0.00 C ATOM 1053 C ARG A 69 -12.766 4.110 0.248 1.00 0.00 C ATOM 1054 O ARG A 69 -13.410 5.004 0.759 1.00 0.00 O ATOM 1055 CB ARG A 69 -12.904 4.954 -2.102 1.00 0.00 C ATOM 1056 CG ARG A 69 -13.014 4.541 -3.572 1.00 0.00 C ATOM 1057 CD ARG A 69 -12.541 5.690 -4.464 1.00 0.00 C ATOM 1058 NE ARG A 69 -12.876 6.991 -3.821 1.00 0.00 N ATOM 1059 CZ ARG A 69 -12.728 8.105 -4.484 1.00 0.00 C ATOM 1060 NH1 ARG A 69 -12.286 8.081 -5.711 1.00 0.00 N ATOM 1061 NH2 ARG A 69 -13.023 9.244 -3.919 1.00 0.00 N ATOM 0 HA ARG A 69 -12.212 3.002 -1.514 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.706 5.647 -1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -11.963 5.477 -1.930 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -12.411 3.652 -3.757 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -14.045 4.282 -3.811 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -11.465 5.619 -4.626 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -13.016 5.623 -5.443 1.00 0.00 H new ATOM 0 HE ARG A 69 -13.221 7.011 -2.861 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -12.056 7.191 -6.153 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.171 8.952 -6.229 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -13.369 9.263 -2.960 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.907 10.115 -4.437 1.00 0.00 H new ATOM 1075 N THR A 70 -11.865 3.452 0.926 1.00 0.00 N ATOM 1076 CA THR A 70 -11.612 3.796 2.353 1.00 0.00 C ATOM 1077 C THR A 70 -10.739 5.047 2.433 1.00 0.00 C ATOM 1078 O THR A 70 -10.286 5.567 1.433 1.00 0.00 O ATOM 1079 CB THR A 70 -10.878 2.645 3.040 1.00 0.00 C ATOM 1080 OG1 THR A 70 -10.438 1.713 2.063 1.00 0.00 O ATOM 1081 CG2 THR A 70 -11.811 1.949 4.030 1.00 0.00 C ATOM 0 H THR A 70 -11.295 2.693 0.554 1.00 0.00 H new ATOM 0 HA THR A 70 -12.567 3.975 2.847 1.00 0.00 H new ATOM 0 HB THR A 70 -10.017 3.040 3.580 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.966 0.976 2.503 1.00 0.00 H new ATOM 0 HG21 THR A 70 -11.281 1.130 4.516 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.141 2.664 4.783 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.677 1.556 3.498 1.00 0.00 H new ATOM 1089 N TYR A 71 -10.484 5.517 3.622 1.00 0.00 N ATOM 1090 CA TYR A 71 -9.627 6.717 3.786 1.00 0.00 C ATOM 1091 C TYR A 71 -9.067 6.732 5.208 1.00 0.00 C ATOM 1092 O TYR A 71 -9.207 5.772 5.941 1.00 0.00 O ATOM 1093 CB TYR A 71 -10.447 7.981 3.530 1.00 0.00 C ATOM 1094 CG TYR A 71 -10.822 8.039 2.068 1.00 0.00 C ATOM 1095 CD1 TYR A 71 -9.926 8.575 1.136 1.00 0.00 C ATOM 1096 CD2 TYR A 71 -12.063 7.549 1.642 1.00 0.00 C ATOM 1097 CE1 TYR A 71 -10.270 8.625 -0.220 1.00 0.00 C ATOM 1098 CE2 TYR A 71 -12.406 7.597 0.286 1.00 0.00 C ATOM 1099 CZ TYR A 71 -11.510 8.136 -0.645 1.00 0.00 C ATOM 1100 OH TYR A 71 -11.850 8.184 -1.981 1.00 0.00 O ATOM 0 H TYR A 71 -10.836 5.116 4.491 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.806 6.686 3.070 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.344 7.979 4.149 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -9.872 8.865 3.806 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -8.968 8.951 1.463 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.755 7.134 2.360 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -9.578 9.041 -0.938 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -13.362 7.218 -0.042 1.00 0.00 H new ATOM 0 HH TYR A 71 -11.082 8.498 -2.503 1.00 0.00 H new ATOM 1110 N LEU A 72 -8.417 7.799 5.593 1.00 0.00 N ATOM 1111 CA LEU A 72 -7.819 7.871 6.960 1.00 0.00 C ATOM 1112 C LEU A 72 -8.513 8.956 7.779 1.00 0.00 C ATOM 1113 O LEU A 72 -8.275 9.092 8.964 1.00 0.00 O ATOM 1114 CB LEU A 72 -6.324 8.200 6.858 1.00 0.00 C ATOM 1115 CG LEU A 72 -5.847 8.066 5.408 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -4.362 8.424 5.327 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -6.041 6.623 4.931 1.00 0.00 C ATOM 0 H LEU A 72 -8.274 8.628 5.017 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.950 6.906 7.450 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.143 9.214 7.215 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.753 7.529 7.499 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.426 8.740 4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.021 8.329 4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.216 9.450 5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.790 7.748 5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.701 6.532 3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.464 5.950 5.564 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.097 6.359 4.989 1.00 0.00 H new ATOM 1129 N SER A 73 -9.364 9.732 7.168 1.00 0.00 N ATOM 1130 CA SER A 73 -10.062 10.802 7.930 1.00 0.00 C ATOM 1131 C SER A 73 -11.468 10.984 7.371 1.00 0.00 C ATOM 1132 O SER A 73 -11.648 11.177 6.186 1.00 0.00 O ATOM 1133 CB SER A 73 -9.286 12.113 7.796 1.00 0.00 C ATOM 1134 OG SER A 73 -7.891 11.839 7.842 1.00 0.00 O ATOM 0 H SER A 73 -9.605 9.672 6.179 1.00 0.00 H new ATOM 0 HA SER A 73 -10.121 10.522 8.982 1.00 0.00 H new ATOM 0 HB2 SER A 73 -9.541 12.606 6.858 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.561 12.796 8.600 1.00 0.00 H new ATOM 0 HG SER A 73 -7.390 12.677 7.755 1.00 0.00 H new ATOM 1140 N GLN A 74 -12.464 10.913 8.215 1.00 0.00 N ATOM 1141 CA GLN A 74 -13.864 11.081 7.734 1.00 0.00 C ATOM 1142 C GLN A 74 -13.913 12.248 6.751 1.00 0.00 C ATOM 1143 O GLN A 74 -14.750 12.303 5.876 1.00 0.00 O ATOM 1144 CB GLN A 74 -14.782 11.373 8.923 1.00 0.00 C ATOM 1145 CG GLN A 74 -16.208 10.931 8.587 1.00 0.00 C ATOM 1146 CD GLN A 74 -16.384 9.455 8.947 1.00 0.00 C ATOM 1147 OE1 GLN A 74 -15.878 8.540 8.166 1.00 0.00 O flip ATOM 1148 NE2 GLN A 74 -16.988 9.130 9.950 1.00 0.00 N flip ATOM 0 H GLN A 74 -12.367 10.746 9.216 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.197 10.168 7.240 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.426 10.847 9.809 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.765 12.438 9.156 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -16.927 11.538 9.137 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -16.407 11.084 7.526 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -17.384 9.844 10.561 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -17.099 8.143 10.181 1.00 0.00 H new ATOM 1157 N ARG A 75 -13.013 13.181 6.890 1.00 0.00 N ATOM 1158 CA ARG A 75 -12.992 14.350 5.969 1.00 0.00 C ATOM 1159 C ARG A 75 -12.696 13.885 4.541 1.00 0.00 C ATOM 1160 O ARG A 75 -13.214 14.427 3.585 1.00 0.00 O ATOM 1161 CB ARG A 75 -11.898 15.318 6.420 1.00 0.00 C ATOM 1162 CG ARG A 75 -11.784 16.465 5.415 1.00 0.00 C ATOM 1163 CD ARG A 75 -10.532 16.271 4.558 1.00 0.00 C ATOM 1164 NE ARG A 75 -9.320 16.558 5.376 1.00 0.00 N ATOM 1165 CZ ARG A 75 -8.141 16.568 4.816 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -8.023 16.326 3.539 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -7.080 16.819 5.533 1.00 0.00 N ATOM 0 H ARG A 75 -12.287 13.183 7.607 1.00 0.00 H new ATOM 0 HA ARG A 75 -13.963 14.845 5.990 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.130 15.710 7.410 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.945 14.795 6.500 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.670 16.496 4.781 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.734 17.419 5.940 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.494 15.250 4.177 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.565 16.933 3.693 1.00 0.00 H new ATOM 0 HE ARG A 75 -9.412 16.747 6.374 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.852 16.129 2.979 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.102 16.334 3.101 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.172 17.007 6.531 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.159 16.827 5.095 1.00 0.00 H new ATOM 1181 N ASP A 76 -11.870 12.889 4.387 1.00 0.00 N ATOM 1182 CA ASP A 76 -11.545 12.404 3.019 1.00 0.00 C ATOM 1183 C ASP A 76 -12.668 11.490 2.547 1.00 0.00 C ATOM 1184 O ASP A 76 -13.085 11.523 1.403 1.00 0.00 O ATOM 1185 CB ASP A 76 -10.225 11.633 3.053 1.00 0.00 C ATOM 1186 CG ASP A 76 -9.064 12.600 2.811 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -9.114 13.322 1.829 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -8.143 12.601 3.612 1.00 0.00 O ATOM 0 H ASP A 76 -11.407 12.391 5.148 1.00 0.00 H new ATOM 0 HA ASP A 76 -11.445 13.247 2.335 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.105 11.138 4.017 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.227 10.853 2.292 1.00 0.00 H new ATOM 1193 N LEU A 77 -13.185 10.698 3.435 1.00 0.00 N ATOM 1194 CA LEU A 77 -14.296 9.806 3.072 1.00 0.00 C ATOM 1195 C LEU A 77 -15.530 10.669 2.911 1.00 0.00 C ATOM 1196 O LEU A 77 -16.392 10.395 2.109 1.00 0.00 O ATOM 1197 CB LEU A 77 -14.511 8.800 4.192 1.00 0.00 C ATOM 1198 CG LEU A 77 -15.759 7.972 3.899 1.00 0.00 C ATOM 1199 CD1 LEU A 77 -15.441 6.490 4.082 1.00 0.00 C ATOM 1200 CD2 LEU A 77 -16.864 8.392 4.868 1.00 0.00 C ATOM 0 H LEU A 77 -12.878 10.634 4.406 1.00 0.00 H new ATOM 0 HA LEU A 77 -14.085 9.264 2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.642 8.148 4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.621 9.318 5.145 1.00 0.00 H new ATOM 0 HG LEU A 77 -16.088 8.138 2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -16.332 5.898 3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.644 6.201 3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.119 6.311 5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.763 7.808 4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.536 8.217 5.892 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -17.083 9.451 4.733 1.00 0.00 H new ATOM 1212 N GLN A 78 -15.607 11.737 3.647 1.00 0.00 N ATOM 1213 CA GLN A 78 -16.775 12.627 3.492 1.00 0.00 C ATOM 1214 C GLN A 78 -16.627 13.280 2.135 1.00 0.00 C ATOM 1215 O GLN A 78 -17.589 13.546 1.432 1.00 0.00 O ATOM 1216 CB GLN A 78 -16.806 13.689 4.598 1.00 0.00 C ATOM 1217 CG GLN A 78 -18.029 14.595 4.415 1.00 0.00 C ATOM 1218 CD GLN A 78 -19.308 13.768 4.580 1.00 0.00 C ATOM 1219 OE1 GLN A 78 -19.855 13.687 5.662 1.00 0.00 O ATOM 1220 NE2 GLN A 78 -19.812 13.147 3.547 1.00 0.00 N ATOM 0 H GLN A 78 -14.918 12.027 4.341 1.00 0.00 H new ATOM 0 HA GLN A 78 -17.707 12.067 3.568 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -16.841 13.208 5.576 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -15.893 14.284 4.569 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -18.009 15.403 5.147 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -18.007 15.058 3.428 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -19.354 13.214 2.638 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -20.664 12.595 3.649 1.00 0.00 H new ATOM 1229 N ALA A 79 -15.407 13.500 1.747 1.00 0.00 N ATOM 1230 CA ALA A 79 -15.160 14.097 0.421 1.00 0.00 C ATOM 1231 C ALA A 79 -15.462 13.035 -0.625 1.00 0.00 C ATOM 1232 O ALA A 79 -15.703 13.334 -1.774 1.00 0.00 O ATOM 1233 CB ALA A 79 -13.699 14.531 0.309 1.00 0.00 C ATOM 0 H ALA A 79 -14.572 13.291 2.294 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.791 14.973 0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.524 14.971 -0.673 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.478 15.268 1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.051 13.664 0.439 1.00 0.00 H new ATOM 1239 N HIS A 80 -15.463 11.783 -0.235 1.00 0.00 N ATOM 1240 CA HIS A 80 -15.756 10.719 -1.237 1.00 0.00 C ATOM 1241 C HIS A 80 -17.244 10.757 -1.569 1.00 0.00 C ATOM 1242 O HIS A 80 -17.645 10.697 -2.714 1.00 0.00 O ATOM 1243 CB HIS A 80 -15.385 9.340 -0.684 1.00 0.00 C ATOM 1244 CG HIS A 80 -15.791 8.282 -1.673 1.00 0.00 C ATOM 1245 ND1 HIS A 80 -14.925 7.803 -2.644 1.00 0.00 N ATOM 1246 CD2 HIS A 80 -16.968 7.601 -1.850 1.00 0.00 C ATOM 1247 CE1 HIS A 80 -15.592 6.874 -3.356 1.00 0.00 C ATOM 1248 NE2 HIS A 80 -16.841 6.712 -2.912 1.00 0.00 N ATOM 0 H HIS A 80 -15.277 11.459 0.714 1.00 0.00 H new ATOM 0 HA HIS A 80 -15.165 10.897 -2.135 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -14.312 9.287 -0.497 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -15.884 9.172 0.271 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -17.859 7.735 -1.255 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -15.168 6.327 -4.185 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -17.549 6.074 -3.274 1.00 0.00 H new ATOM 1256 N ILE A 81 -18.060 10.868 -0.565 1.00 0.00 N ATOM 1257 CA ILE A 81 -19.533 10.924 -0.790 1.00 0.00 C ATOM 1258 C ILE A 81 -19.871 12.112 -1.672 1.00 0.00 C ATOM 1259 O ILE A 81 -20.573 11.992 -2.652 1.00 0.00 O ATOM 1260 CB ILE A 81 -20.261 11.108 0.542 1.00 0.00 C ATOM 1261 CG1 ILE A 81 -19.524 10.357 1.643 1.00 0.00 C ATOM 1262 CG2 ILE A 81 -21.698 10.599 0.438 1.00 0.00 C ATOM 1263 CD1 ILE A 81 -19.251 8.913 1.217 1.00 0.00 C ATOM 0 H ILE A 81 -17.771 10.923 0.412 1.00 0.00 H new ATOM 0 HA ILE A 81 -19.844 9.993 -1.264 1.00 0.00 H new ATOM 0 HB ILE A 81 -20.283 12.170 0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.583 10.860 1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -20.117 10.367 2.558 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -22.203 10.737 1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -22.226 11.157 -0.335 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -21.691 9.540 0.181 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.724 8.391 2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -20.196 8.408 1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.639 8.909 0.315 1.00 0.00 H new ATOM 1275 N ASN A 82 -19.387 13.263 -1.320 1.00 0.00 N ATOM 1276 CA ASN A 82 -19.695 14.471 -2.120 1.00 0.00 C ATOM 1277 C ASN A 82 -18.975 14.395 -3.456 1.00 0.00 C ATOM 1278 O ASN A 82 -19.311 15.098 -4.389 1.00 0.00 O ATOM 1279 CB ASN A 82 -19.233 15.718 -1.362 1.00 0.00 C ATOM 1280 CG ASN A 82 -19.512 15.540 0.131 1.00 0.00 C ATOM 1281 OD1 ASN A 82 -18.596 15.878 0.998 1.00 0.00 O flip ATOM 1282 ND2 ASN A 82 -20.574 15.091 0.514 1.00 0.00 N flip ATOM 0 H ASN A 82 -18.789 13.420 -0.509 1.00 0.00 H new ATOM 0 HA ASN A 82 -20.770 14.527 -2.291 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -18.168 15.883 -1.527 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -19.754 16.599 -1.738 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -21.290 14.827 -0.163 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -20.750 14.978 1.512 1.00 0.00 H new ATOM 1289 N HIS A 83 -17.968 13.573 -3.559 1.00 0.00 N ATOM 1290 CA HIS A 83 -17.230 13.507 -4.845 1.00 0.00 C ATOM 1291 C HIS A 83 -17.870 12.520 -5.827 1.00 0.00 C ATOM 1292 O HIS A 83 -17.720 12.675 -7.023 1.00 0.00 O ATOM 1293 CB HIS A 83 -15.780 13.096 -4.598 1.00 0.00 C ATOM 1294 CG HIS A 83 -15.001 14.280 -4.095 1.00 0.00 C ATOM 1295 ND1 HIS A 83 -15.388 15.422 -3.437 1.00 0.00 N flip ATOM 1296 CD2 HIS A 83 -13.624 14.381 -4.250 1.00 0.00 C flip ATOM 1297 CE1 HIS A 83 -14.275 16.215 -3.189 1.00 0.00 C flip ATOM 1298 NE2 HIS A 83 -13.238 15.546 -3.697 1.00 0.00 N flip ATOM 0 H HIS A 83 -17.630 12.955 -2.821 1.00 0.00 H new ATOM 0 HA HIS A 83 -17.270 14.502 -5.289 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -15.740 12.285 -3.871 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -15.336 12.720 -5.519 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -12.981 13.657 -4.727 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -14.253 17.172 -2.690 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -12.273 15.876 -3.670 1.00 0.00 H new ATOM 1307 N ARG A 84 -18.538 11.490 -5.353 1.00 0.00 N ATOM 1308 CA ARG A 84 -19.121 10.487 -6.304 1.00 0.00 C ATOM 1309 C ARG A 84 -20.605 10.229 -6.028 1.00 0.00 C ATOM 1310 O ARG A 84 -21.318 9.762 -6.894 1.00 0.00 O ATOM 1311 CB ARG A 84 -18.364 9.150 -6.191 1.00 0.00 C ATOM 1312 CG ARG A 84 -16.918 9.360 -5.706 1.00 0.00 C ATOM 1313 CD ARG A 84 -16.081 9.980 -6.828 1.00 0.00 C ATOM 1314 NE ARG A 84 -15.482 8.896 -7.657 1.00 0.00 N ATOM 1315 CZ ARG A 84 -15.017 9.164 -8.847 1.00 0.00 C ATOM 1316 NH1 ARG A 84 -15.073 10.384 -9.309 1.00 0.00 N ATOM 1317 NH2 ARG A 84 -14.494 8.215 -9.573 1.00 0.00 N ATOM 0 H ARG A 84 -18.702 11.303 -4.364 1.00 0.00 H new ATOM 0 HA ARG A 84 -19.020 10.902 -7.307 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -18.889 8.491 -5.499 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -18.355 8.653 -7.161 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -16.909 10.010 -4.831 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -16.485 8.408 -5.400 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -16.704 10.624 -7.448 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -15.295 10.607 -6.406 1.00 0.00 H new ATOM 0 HE ARG A 84 -15.435 7.944 -7.294 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -15.480 11.127 -8.740 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -14.710 10.594 -10.239 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -14.448 7.262 -9.211 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.131 8.425 -10.503 1.00 0.00 H new ATOM 1331 N HIS A 85 -21.076 10.505 -4.844 1.00 0.00 N ATOM 1332 CA HIS A 85 -22.510 10.245 -4.532 1.00 0.00 C ATOM 1333 C HIS A 85 -23.274 11.561 -4.510 1.00 0.00 C ATOM 1334 O HIS A 85 -24.335 11.684 -5.089 1.00 0.00 O ATOM 1335 CB HIS A 85 -22.607 9.570 -3.163 1.00 0.00 C ATOM 1336 CG HIS A 85 -21.617 8.437 -3.090 1.00 0.00 C ATOM 1337 ND1 HIS A 85 -22.009 7.131 -2.839 1.00 0.00 N ATOM 1338 CD2 HIS A 85 -20.250 8.397 -3.230 1.00 0.00 C ATOM 1339 CE1 HIS A 85 -20.901 6.368 -2.835 1.00 0.00 C ATOM 1340 NE2 HIS A 85 -19.801 7.089 -3.069 1.00 0.00 N ATOM 0 H HIS A 85 -20.530 10.900 -4.078 1.00 0.00 H new ATOM 0 HA HIS A 85 -22.941 9.595 -5.293 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -22.406 10.294 -2.374 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -23.618 9.195 -3.001 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -22.964 6.807 -2.685 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -19.620 9.250 -3.434 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -20.901 5.302 -2.663 1.00 0.00 H new