USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=28 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 -56:sc= -0.286 USER MOD Set 1.2: A 71 TYR OH : rot 180:sc= -2.68! USER MOD Set 1.3: A 80 HIS : no HE2:sc= -4.74! C(o=-12!,f=-21!) USER MOD Set 1.4: A 85 HIS : no HD1:sc= -4.11! C(o=-12!,f=-24!) USER MOD Set 2.1: A 53 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 54 THR OG1 : rot 68:sc= 0.434 USER MOD Set 2.3: A 57 SER OG : rot 174:sc= 0.373 USER MOD Set 3.1: A 20 CYS SG : rot -142:sc= -6.06! USER MOD Set 3.2: A 22 HIS : no HE2:sc= -6.55! C(o=-15!,f=-34!) USER MOD Set 3.3: A 40 CYS SG : rot 32:sc= -1.38 USER MOD Set 3.4: A 43 CYS SG : rot 100:sc= -1.09! USER MOD Set 4.1: A 4 CYS SG : rot 154:sc= 0.535 USER MOD Set 4.2: A 7 CYS SG : rot 125:sc= -4.61! USER MOD Set 4.3: A 25 CYS SG : rot 140:sc= -2.95! USER MOD Set 4.4: A 28 CYS SG : rot 176:sc= -1.17! USER MOD Single : A 6 LYS NZ :NH3+ -153:sc=-0.00763 (180deg=-0.308) USER MOD Single : A 12 LYS NZ :NH3+ 148:sc= -0.0929 (180deg=-0.565) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -139:sc= -0.285 (180deg=-2.63!) USER MOD Single : A 21 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.366) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -1.32 X(o=-1.3,f=-0.97) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 149:sc= -0.371 (180deg=-2.01!) USER MOD Single : A 44 SER OG : rot -54:sc= 0.591 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 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 170:sc= 0.0977 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN :FLIP amide:sc= -0.726 F(o=-3.4,f=-0.73) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.478 F(o=-1.2,f=-0.48) USER MOD Single : A 82 ASN :FLIP amide:sc= -1.38 F(o=-3.2!,f=-1.4) USER MOD Single : A 83 HIS :FLIP no HD1:sc= -2.72! C(o=-3.3!,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 37 N PHE A 3 -13.942 -8.849 4.155 1.00 0.00 N ATOM 38 CA PHE A 3 -13.791 -9.869 3.077 1.00 0.00 C ATOM 39 C PHE A 3 -12.999 -9.272 1.912 1.00 0.00 C ATOM 40 O PHE A 3 -13.483 -8.419 1.194 1.00 0.00 O ATOM 41 CB PHE A 3 -15.175 -10.301 2.586 1.00 0.00 C ATOM 42 CG PHE A 3 -16.189 -10.084 3.684 1.00 0.00 C ATOM 43 CD1 PHE A 3 -16.267 -10.984 4.753 1.00 0.00 C ATOM 44 CD2 PHE A 3 -17.053 -8.983 3.632 1.00 0.00 C ATOM 45 CE1 PHE A 3 -17.207 -10.783 5.771 1.00 0.00 C ATOM 46 CE2 PHE A 3 -17.994 -8.783 4.649 1.00 0.00 C ATOM 47 CZ PHE A 3 -18.071 -9.683 5.719 1.00 0.00 C ATOM 0 HA PHE A 3 -13.258 -10.735 3.470 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -15.454 -9.729 1.701 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -15.158 -11.351 2.295 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -15.602 -11.834 4.793 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -16.993 -8.288 2.807 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -17.265 -11.477 6.597 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -18.661 -7.934 4.608 1.00 0.00 H new ATOM 0 HZ PHE A 3 -18.797 -9.528 6.504 1.00 0.00 H new ATOM 57 N CYS A 4 -11.783 -9.709 1.720 1.00 0.00 N ATOM 58 CA CYS A 4 -10.963 -9.163 0.603 1.00 0.00 C ATOM 59 C CYS A 4 -11.788 -9.134 -0.680 1.00 0.00 C ATOM 60 O CYS A 4 -12.624 -9.984 -0.914 1.00 0.00 O ATOM 61 CB CYS A 4 -9.733 -10.043 0.398 1.00 0.00 C ATOM 62 SG CYS A 4 -8.654 -9.286 -0.841 1.00 0.00 S ATOM 0 H CYS A 4 -11.323 -10.420 2.289 1.00 0.00 H new ATOM 0 HA CYS A 4 -10.650 -8.149 0.850 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -9.197 -10.163 1.339 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -10.035 -11.039 0.074 1.00 0.00 H new ATOM 0 HG CYS A 4 -7.429 -9.675 -0.645 1.00 0.00 H new ATOM 67 N ASP A 5 -11.557 -8.160 -1.514 1.00 0.00 N ATOM 68 CA ASP A 5 -12.324 -8.071 -2.785 1.00 0.00 C ATOM 69 C ASP A 5 -11.721 -9.030 -3.812 1.00 0.00 C ATOM 70 O ASP A 5 -12.388 -9.456 -4.735 1.00 0.00 O ATOM 71 CB ASP A 5 -12.258 -6.640 -3.322 1.00 0.00 C ATOM 72 CG ASP A 5 -13.540 -6.326 -4.096 1.00 0.00 C ATOM 73 OD1 ASP A 5 -13.649 -6.770 -5.227 1.00 0.00 O ATOM 74 OD2 ASP A 5 -14.390 -5.648 -3.545 1.00 0.00 O ATOM 0 H ASP A 5 -10.869 -7.421 -1.370 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.364 -8.342 -2.602 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.136 -5.936 -2.498 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.391 -6.524 -3.972 1.00 0.00 H new ATOM 79 N LYS A 6 -10.464 -9.371 -3.664 1.00 0.00 N ATOM 80 CA LYS A 6 -9.821 -10.294 -4.632 1.00 0.00 C ATOM 81 C LYS A 6 -9.744 -11.697 -4.036 1.00 0.00 C ATOM 82 O LYS A 6 -10.290 -12.642 -4.569 1.00 0.00 O ATOM 83 CB LYS A 6 -8.408 -9.797 -4.938 1.00 0.00 C ATOM 84 CG LYS A 6 -7.963 -10.330 -6.301 1.00 0.00 C ATOM 85 CD LYS A 6 -8.657 -9.558 -7.431 1.00 0.00 C ATOM 86 CE LYS A 6 -9.383 -10.541 -8.351 1.00 0.00 C ATOM 87 NZ LYS A 6 -8.391 -11.454 -8.985 1.00 0.00 N ATOM 0 H LYS A 6 -9.859 -9.045 -2.910 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.410 -10.324 -5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.386 -8.707 -4.937 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.718 -10.130 -4.163 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -6.881 -10.237 -6.399 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.200 -11.391 -6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.366 -8.842 -7.015 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.923 -8.986 -7.999 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.112 -11.118 -7.782 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.935 -9.998 -9.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.761 -11.788 -9.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.498 -10.943 -9.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.221 -12.269 -8.361 1.00 0.00 H new ATOM 101 N CYS A 7 -9.057 -11.841 -2.941 1.00 0.00 N ATOM 102 CA CYS A 7 -8.925 -13.183 -2.312 1.00 0.00 C ATOM 103 C CYS A 7 -10.274 -13.643 -1.755 1.00 0.00 C ATOM 104 O CYS A 7 -10.463 -14.802 -1.444 1.00 0.00 O ATOM 105 CB CYS A 7 -7.898 -13.108 -1.182 1.00 0.00 C ATOM 106 SG CYS A 7 -6.469 -12.144 -1.736 1.00 0.00 S ATOM 0 H CYS A 7 -8.579 -11.085 -2.452 1.00 0.00 H new ATOM 0 HA CYS A 7 -8.595 -13.901 -3.063 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.343 -12.646 -0.301 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.585 -14.111 -0.893 1.00 0.00 H new ATOM 0 HG CYS A 7 -6.254 -11.169 -0.903 1.00 0.00 H new ATOM 111 N GLY A 8 -11.217 -12.749 -1.625 1.00 0.00 N ATOM 112 CA GLY A 8 -12.550 -13.150 -1.089 1.00 0.00 C ATOM 113 C GLY A 8 -12.380 -13.803 0.285 1.00 0.00 C ATOM 114 O GLY A 8 -13.302 -14.385 0.821 1.00 0.00 O ATOM 0 H GLY A 8 -11.123 -11.762 -1.866 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.198 -12.277 -1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.034 -13.845 -1.775 1.00 0.00 H new ATOM 118 N LEU A 9 -11.209 -13.705 0.857 1.00 0.00 N ATOM 119 CA LEU A 9 -10.972 -14.313 2.199 1.00 0.00 C ATOM 120 C LEU A 9 -11.063 -13.209 3.258 1.00 0.00 C ATOM 121 O LEU A 9 -10.805 -12.058 2.970 1.00 0.00 O ATOM 122 CB LEU A 9 -9.572 -14.939 2.226 1.00 0.00 C ATOM 123 CG LEU A 9 -9.607 -16.305 1.532 1.00 0.00 C ATOM 124 CD1 LEU A 9 -8.234 -16.606 0.926 1.00 0.00 C ATOM 125 CD2 LEU A 9 -9.960 -17.396 2.547 1.00 0.00 C ATOM 0 H LEU A 9 -10.404 -13.228 0.451 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.716 -15.083 2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.860 -14.283 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.232 -15.051 3.256 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.361 -16.286 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.259 -17.578 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.981 -15.836 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.483 -16.620 1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.983 -18.364 2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.210 -17.414 3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.938 -17.188 2.980 1.00 0.00 H new ATOM 137 N PRO A 10 -11.431 -13.538 4.475 1.00 0.00 N ATOM 138 CA PRO A 10 -11.549 -12.525 5.557 1.00 0.00 C ATOM 139 C PRO A 10 -10.222 -11.826 5.842 1.00 0.00 C ATOM 140 O PRO A 10 -9.353 -12.342 6.517 1.00 0.00 O ATOM 141 CB PRO A 10 -12.026 -13.302 6.776 1.00 0.00 C ATOM 142 CG PRO A 10 -11.766 -14.743 6.476 1.00 0.00 C ATOM 143 CD PRO A 10 -11.769 -14.886 4.953 1.00 0.00 C ATOM 0 HA PRO A 10 -12.238 -11.729 5.275 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.491 -12.988 7.672 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.086 -13.127 6.959 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.809 -15.058 6.892 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.532 -15.375 6.925 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.040 -15.624 4.619 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.742 -15.210 4.583 1.00 0.00 H new ATOM 151 N ILE A 11 -10.080 -10.652 5.318 1.00 0.00 N ATOM 152 CA ILE A 11 -8.834 -9.859 5.512 1.00 0.00 C ATOM 153 C ILE A 11 -8.423 -9.851 6.984 1.00 0.00 C ATOM 154 O ILE A 11 -9.123 -9.337 7.834 1.00 0.00 O ATOM 155 CB ILE A 11 -9.100 -8.425 5.054 1.00 0.00 C ATOM 156 CG1 ILE A 11 -9.395 -8.415 3.555 1.00 0.00 C ATOM 157 CG2 ILE A 11 -7.871 -7.568 5.324 1.00 0.00 C ATOM 158 CD1 ILE A 11 -10.049 -7.085 3.171 1.00 0.00 C ATOM 0 H ILE A 11 -10.790 -10.192 4.748 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.027 -10.306 4.932 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.954 -8.025 5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.473 -8.555 2.991 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.054 -9.244 3.298 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.061 -6.546 4.997 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.652 -7.573 6.392 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.019 -7.971 4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.259 -7.078 2.101 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.980 -6.964 3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.374 -6.264 3.413 1.00 0.00 H new ATOM 170 N LYS A 12 -7.274 -10.393 7.286 1.00 0.00 N ATOM 171 CA LYS A 12 -6.797 -10.392 8.694 1.00 0.00 C ATOM 172 C LYS A 12 -6.134 -9.042 8.966 1.00 0.00 C ATOM 173 O LYS A 12 -6.179 -8.520 10.063 1.00 0.00 O ATOM 174 CB LYS A 12 -5.780 -11.517 8.896 1.00 0.00 C ATOM 175 CG LYS A 12 -5.493 -11.684 10.390 1.00 0.00 C ATOM 176 CD LYS A 12 -4.457 -12.794 10.589 1.00 0.00 C ATOM 177 CE LYS A 12 -3.125 -12.178 11.018 1.00 0.00 C ATOM 178 NZ LYS A 12 -3.271 -11.568 12.370 1.00 0.00 N ATOM 0 H LYS A 12 -6.646 -10.836 6.616 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.631 -10.550 9.378 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.166 -12.449 8.483 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.858 -11.289 8.361 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.123 -10.747 10.807 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.412 -11.929 10.923 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.804 -13.499 11.345 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.329 -13.356 9.664 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.348 -12.942 11.034 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.814 -11.421 10.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.370 -11.642 12.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.533 -10.566 12.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.013 -12.070 12.899 1.00 0.00 H new ATOM 192 N VAL A 13 -5.528 -8.471 7.957 1.00 0.00 N ATOM 193 CA VAL A 13 -4.868 -7.151 8.114 1.00 0.00 C ATOM 194 C VAL A 13 -5.167 -6.322 6.868 1.00 0.00 C ATOM 195 O VAL A 13 -5.238 -6.839 5.773 1.00 0.00 O ATOM 196 CB VAL A 13 -3.369 -7.343 8.243 1.00 0.00 C ATOM 197 CG1 VAL A 13 -2.781 -6.236 9.120 1.00 0.00 C ATOM 198 CG2 VAL A 13 -3.077 -8.707 8.872 1.00 0.00 C ATOM 0 H VAL A 13 -5.465 -8.872 7.021 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.239 -6.647 9.007 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.914 -7.298 7.253 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.704 -6.377 9.211 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.983 -5.266 8.666 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.236 -6.275 10.109 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.999 -8.842 8.963 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.534 -8.757 9.860 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.489 -9.494 8.241 1.00 0.00 H new ATOM 208 N TYR A 14 -5.363 -5.051 7.016 1.00 0.00 N ATOM 209 CA TYR A 14 -5.694 -4.220 5.830 1.00 0.00 C ATOM 210 C TYR A 14 -4.470 -4.019 4.944 1.00 0.00 C ATOM 211 O TYR A 14 -3.632 -3.174 5.200 1.00 0.00 O ATOM 212 CB TYR A 14 -6.205 -2.859 6.282 1.00 0.00 C ATOM 213 CG TYR A 14 -7.696 -2.913 6.564 1.00 0.00 C ATOM 214 CD1 TYR A 14 -8.294 -4.077 7.071 1.00 0.00 C ATOM 215 CD2 TYR A 14 -8.481 -1.782 6.318 1.00 0.00 C ATOM 216 CE1 TYR A 14 -9.671 -4.103 7.324 1.00 0.00 C ATOM 217 CE2 TYR A 14 -9.857 -1.809 6.572 1.00 0.00 C ATOM 218 CZ TYR A 14 -10.453 -2.970 7.075 1.00 0.00 C ATOM 219 OH TYR A 14 -11.809 -2.997 7.326 1.00 0.00 O ATOM 0 H TYR A 14 -5.310 -4.549 7.902 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.463 -4.739 5.258 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.671 -2.544 7.179 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.002 -2.115 5.512 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.692 -4.952 7.266 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.023 -0.884 5.930 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -10.130 -5.000 7.712 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.459 -0.933 6.380 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.201 -2.128 7.099 1.00 0.00 H new ATOM 229 N GLY A 15 -4.388 -4.765 3.884 1.00 0.00 N ATOM 230 CA GLY A 15 -3.255 -4.605 2.939 1.00 0.00 C ATOM 231 C GLY A 15 -3.526 -3.357 2.117 1.00 0.00 C ATOM 232 O GLY A 15 -4.117 -3.412 1.060 1.00 0.00 O ATOM 0 H GLY A 15 -5.064 -5.486 3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.313 -4.512 3.480 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.167 -5.479 2.293 1.00 0.00 H new ATOM 236 N ARG A 16 -3.119 -2.234 2.621 1.00 0.00 N ATOM 237 CA ARG A 16 -3.382 -0.954 1.903 1.00 0.00 C ATOM 238 C ARG A 16 -2.409 -0.775 0.744 1.00 0.00 C ATOM 239 O ARG A 16 -1.245 -1.097 0.844 1.00 0.00 O ATOM 240 CB ARG A 16 -3.235 0.213 2.880 1.00 0.00 C ATOM 241 CG ARG A 16 -3.518 1.531 2.157 1.00 0.00 C ATOM 242 CD ARG A 16 -4.582 2.314 2.926 1.00 0.00 C ATOM 243 NE ARG A 16 -4.705 3.682 2.351 1.00 0.00 N ATOM 244 CZ ARG A 16 -3.756 4.558 2.543 1.00 0.00 C ATOM 245 NH1 ARG A 16 -2.701 4.235 3.240 1.00 0.00 N ATOM 246 NH2 ARG A 16 -3.863 5.757 2.041 1.00 0.00 N ATOM 0 H ARG A 16 -2.613 -2.141 3.502 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.395 -0.979 1.503 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.925 0.090 3.715 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.228 0.225 3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.604 2.119 2.079 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.859 1.335 1.140 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.540 1.797 2.870 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.313 2.374 3.981 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.530 3.935 1.807 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.618 3.298 3.635 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.960 4.919 3.390 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.688 6.011 1.498 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.121 6.441 2.191 1.00 0.00 H new ATOM 260 N MET A 17 -2.892 -0.251 -0.356 1.00 0.00 N ATOM 261 CA MET A 17 -2.017 -0.032 -1.541 1.00 0.00 C ATOM 262 C MET A 17 -2.155 1.409 -2.032 1.00 0.00 C ATOM 263 O MET A 17 -3.254 1.915 -2.199 1.00 0.00 O ATOM 264 CB MET A 17 -2.435 -0.968 -2.671 1.00 0.00 C ATOM 265 CG MET A 17 -2.930 -2.288 -2.087 1.00 0.00 C ATOM 266 SD MET A 17 -3.239 -3.456 -3.433 1.00 0.00 S ATOM 267 CE MET A 17 -1.534 -4.004 -3.699 1.00 0.00 C ATOM 0 H MET A 17 -3.863 0.035 -0.481 1.00 0.00 H new ATOM 0 HA MET A 17 -0.985 -0.230 -1.252 1.00 0.00 H new ATOM 0 HB2 MET A 17 -3.221 -0.505 -3.268 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.592 -1.148 -3.338 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.189 -2.695 -1.399 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.843 -2.126 -1.513 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.343 -4.091 -4.768 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.847 -3.278 -3.266 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.385 -4.973 -3.223 1.00 0.00 H new ATOM 277 N ILE A 18 -1.043 2.058 -2.277 1.00 0.00 N ATOM 278 CA ILE A 18 -1.067 3.463 -2.774 1.00 0.00 C ATOM 279 C ILE A 18 -0.488 3.502 -4.196 1.00 0.00 C ATOM 280 O ILE A 18 0.270 2.633 -4.571 1.00 0.00 O ATOM 281 CB ILE A 18 -0.211 4.346 -1.859 1.00 0.00 C ATOM 282 CG1 ILE A 18 0.838 3.498 -1.149 1.00 0.00 C ATOM 283 CG2 ILE A 18 -1.100 5.015 -0.809 1.00 0.00 C ATOM 284 CD1 ILE A 18 1.766 4.404 -0.336 1.00 0.00 C ATOM 0 H ILE A 18 -0.110 1.666 -2.151 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.093 3.831 -2.779 1.00 0.00 H new ATOM 0 HB ILE A 18 0.282 5.105 -2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.353 2.775 -0.493 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.415 2.930 -1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.488 5.642 -0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.850 5.630 -1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.596 4.250 -0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.515 3.796 0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.262 5.109 -1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.183 4.952 0.404 1.00 0.00 H new ATOM 296 N PRO A 19 -0.834 4.495 -4.987 1.00 0.00 N ATOM 297 CA PRO A 19 -1.760 5.595 -4.593 1.00 0.00 C ATOM 298 C PRO A 19 -3.219 5.168 -4.728 1.00 0.00 C ATOM 299 O PRO A 19 -4.132 5.945 -4.526 1.00 0.00 O ATOM 300 CB PRO A 19 -1.435 6.703 -5.591 1.00 0.00 C ATOM 301 CG PRO A 19 -0.975 5.998 -6.823 1.00 0.00 C ATOM 302 CD PRO A 19 -0.366 4.664 -6.374 1.00 0.00 C ATOM 0 HA PRO A 19 -1.634 5.896 -3.553 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.311 7.319 -5.794 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.661 7.366 -5.205 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.808 5.831 -7.506 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.239 6.597 -7.358 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.698 3.842 -7.008 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.723 4.687 -6.426 1.00 0.00 H new ATOM 310 N CYS A 20 -3.441 3.931 -5.071 1.00 0.00 N ATOM 311 CA CYS A 20 -4.831 3.432 -5.227 1.00 0.00 C ATOM 312 C CYS A 20 -5.599 3.680 -3.933 1.00 0.00 C ATOM 313 O CYS A 20 -6.781 3.958 -3.943 1.00 0.00 O ATOM 314 CB CYS A 20 -4.795 1.931 -5.522 1.00 0.00 C ATOM 315 SG CYS A 20 -6.305 1.444 -6.391 1.00 0.00 S ATOM 0 H CYS A 20 -2.712 3.240 -5.251 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.323 3.953 -6.048 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.922 1.691 -6.128 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.702 1.370 -4.592 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.687 0.273 -5.974 1.00 0.00 H new ATOM 320 N LYS A 21 -4.938 3.565 -2.817 1.00 0.00 N ATOM 321 CA LYS A 21 -5.629 3.776 -1.522 1.00 0.00 C ATOM 322 C LYS A 21 -6.639 2.651 -1.357 1.00 0.00 C ATOM 323 O LYS A 21 -7.661 2.797 -0.714 1.00 0.00 O ATOM 324 CB LYS A 21 -6.351 5.126 -1.531 1.00 0.00 C ATOM 325 CG LYS A 21 -6.069 5.865 -0.223 1.00 0.00 C ATOM 326 CD LYS A 21 -7.038 7.041 -0.080 1.00 0.00 C ATOM 327 CE LYS A 21 -6.351 8.180 0.676 1.00 0.00 C ATOM 328 NZ LYS A 21 -7.382 9.034 1.330 1.00 0.00 N ATOM 0 H LYS A 21 -3.947 3.333 -2.748 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.914 3.776 -0.699 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.015 5.724 -2.378 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.424 4.976 -1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.179 5.185 0.622 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.040 6.225 -0.211 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.358 7.384 -1.064 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.934 6.725 0.454 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.670 7.775 1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.751 8.777 -0.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.995 9.987 1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.220 9.097 0.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.651 8.616 2.243 1.00 0.00 H new ATOM 342 N HIS A 22 -6.358 1.526 -1.954 1.00 0.00 N ATOM 343 CA HIS A 22 -7.297 0.376 -1.863 1.00 0.00 C ATOM 344 C HIS A 22 -6.888 -0.524 -0.701 1.00 0.00 C ATOM 345 O HIS A 22 -5.996 -0.197 0.052 1.00 0.00 O ATOM 346 CB HIS A 22 -7.251 -0.423 -3.166 1.00 0.00 C ATOM 347 CG HIS A 22 -8.072 0.269 -4.218 1.00 0.00 C ATOM 348 ND1 HIS A 22 -8.352 -0.323 -5.440 1.00 0.00 N ATOM 349 CD2 HIS A 22 -8.686 1.498 -4.249 1.00 0.00 C ATOM 350 CE1 HIS A 22 -9.104 0.540 -6.148 1.00 0.00 C ATOM 351 NE2 HIS A 22 -9.335 1.663 -5.466 1.00 0.00 N ATOM 0 H HIS A 22 -5.515 1.354 -2.502 1.00 0.00 H new ATOM 0 HA HIS A 22 -8.309 0.745 -1.698 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -6.220 -0.524 -3.505 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.632 -1.430 -2.999 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -8.044 -1.246 -5.747 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.667 2.224 -3.450 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.474 0.347 -7.144 1.00 0.00 H new ATOM 359 N VAL A 23 -7.525 -1.660 -0.554 1.00 0.00 N ATOM 360 CA VAL A 23 -7.153 -2.582 0.559 1.00 0.00 C ATOM 361 C VAL A 23 -7.249 -4.033 0.100 1.00 0.00 C ATOM 362 O VAL A 23 -7.967 -4.362 -0.822 1.00 0.00 O ATOM 363 CB VAL A 23 -8.082 -2.394 1.751 1.00 0.00 C ATOM 364 CG1 VAL A 23 -7.248 -2.086 2.992 1.00 0.00 C ATOM 365 CG2 VAL A 23 -9.053 -1.245 1.483 1.00 0.00 C ATOM 0 H VAL A 23 -8.283 -1.986 -1.154 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.129 -2.349 0.852 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.655 -3.307 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.908 -1.950 3.849 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.566 -2.914 3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.674 -1.174 2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.713 -1.119 2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.492 -0.325 1.318 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.648 -1.470 0.598 1.00 0.00 H new ATOM 375 N PHE A 24 -6.534 -4.903 0.761 1.00 0.00 N ATOM 376 CA PHE A 24 -6.559 -6.356 0.404 1.00 0.00 C ATOM 377 C PHE A 24 -5.928 -7.137 1.550 1.00 0.00 C ATOM 378 O PHE A 24 -5.264 -6.574 2.393 1.00 0.00 O ATOM 379 CB PHE A 24 -5.718 -6.627 -0.850 1.00 0.00 C ATOM 380 CG PHE A 24 -6.226 -5.845 -2.033 1.00 0.00 C ATOM 381 CD1 PHE A 24 -5.759 -4.548 -2.258 1.00 0.00 C ATOM 382 CD2 PHE A 24 -7.146 -6.421 -2.915 1.00 0.00 C ATOM 383 CE1 PHE A 24 -6.207 -3.822 -3.366 1.00 0.00 C ATOM 384 CE2 PHE A 24 -7.599 -5.696 -4.022 1.00 0.00 C ATOM 385 CZ PHE A 24 -7.131 -4.397 -4.250 1.00 0.00 C ATOM 0 H PHE A 24 -5.925 -4.668 1.544 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.592 -6.653 0.221 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.678 -6.363 -0.657 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.738 -7.692 -1.080 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.050 -4.105 -1.574 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.506 -7.424 -2.742 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.842 -2.821 -3.540 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.311 -6.139 -4.702 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.481 -3.838 -5.105 1.00 0.00 H new ATOM 395 N CYS A 25 -6.085 -8.430 1.582 1.00 0.00 N ATOM 396 CA CYS A 25 -5.429 -9.191 2.677 1.00 0.00 C ATOM 397 C CYS A 25 -3.930 -8.897 2.597 1.00 0.00 C ATOM 398 O CYS A 25 -3.276 -9.239 1.632 1.00 0.00 O ATOM 399 CB CYS A 25 -5.670 -10.697 2.518 1.00 0.00 C ATOM 400 SG CYS A 25 -6.697 -11.016 1.067 1.00 0.00 S ATOM 0 H CYS A 25 -6.625 -8.981 0.915 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.841 -8.891 3.641 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.717 -11.217 2.419 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.157 -11.091 3.410 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.254 -12.067 0.444 1.00 0.00 H new ATOM 405 N TYR A 26 -3.379 -8.250 3.588 1.00 0.00 N ATOM 406 CA TYR A 26 -1.924 -7.925 3.538 1.00 0.00 C ATOM 407 C TYR A 26 -1.130 -9.166 3.135 1.00 0.00 C ATOM 408 O TYR A 26 -0.025 -9.068 2.645 1.00 0.00 O ATOM 409 CB TYR A 26 -1.466 -7.420 4.907 1.00 0.00 C ATOM 410 CG TYR A 26 -0.013 -6.988 4.858 1.00 0.00 C ATOM 411 CD1 TYR A 26 0.408 -5.972 3.980 1.00 0.00 C ATOM 412 CD2 TYR A 26 0.917 -7.603 5.703 1.00 0.00 C ATOM 413 CE1 TYR A 26 1.752 -5.583 3.955 1.00 0.00 C ATOM 414 CE2 TYR A 26 2.261 -7.213 5.674 1.00 0.00 C ATOM 415 CZ TYR A 26 2.679 -6.204 4.799 1.00 0.00 C ATOM 416 OH TYR A 26 4.004 -5.820 4.771 1.00 0.00 O ATOM 0 H TYR A 26 -3.869 -7.934 4.425 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.750 -7.145 2.797 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.090 -6.582 5.219 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.592 -8.206 5.652 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.306 -5.493 3.326 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.597 -8.381 6.380 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.074 -4.802 3.283 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.976 -7.691 6.327 1.00 0.00 H new ATOM 0 HH TYR A 26 4.512 -6.350 5.420 1.00 0.00 H new ATOM 426 N ASP A 27 -1.686 -10.331 3.312 1.00 0.00 N ATOM 427 CA ASP A 27 -0.952 -11.560 2.907 1.00 0.00 C ATOM 428 C ASP A 27 -0.986 -11.657 1.384 1.00 0.00 C ATOM 429 O ASP A 27 -0.015 -12.011 0.741 1.00 0.00 O ATOM 430 CB ASP A 27 -1.619 -12.792 3.523 1.00 0.00 C ATOM 431 CG ASP A 27 -2.210 -12.426 4.885 1.00 0.00 C ATOM 432 OD1 ASP A 27 -1.623 -11.596 5.560 1.00 0.00 O ATOM 433 OD2 ASP A 27 -3.239 -12.982 5.231 1.00 0.00 O ATOM 0 H ASP A 27 -2.610 -10.485 3.716 1.00 0.00 H new ATOM 0 HA ASP A 27 0.079 -11.514 3.257 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.403 -13.162 2.862 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.891 -13.595 3.635 1.00 0.00 H new ATOM 438 N CYS A 28 -2.096 -11.330 0.799 1.00 0.00 N ATOM 439 CA CYS A 28 -2.187 -11.382 -0.677 1.00 0.00 C ATOM 440 C CYS A 28 -1.608 -10.089 -1.239 1.00 0.00 C ATOM 441 O CYS A 28 -1.182 -10.028 -2.376 1.00 0.00 O ATOM 442 CB CYS A 28 -3.647 -11.532 -1.106 1.00 0.00 C ATOM 443 SG CYS A 28 -4.248 -9.955 -1.760 1.00 0.00 S ATOM 0 H CYS A 28 -2.944 -11.029 1.279 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.628 -12.237 -1.056 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.736 -12.310 -1.864 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.257 -11.842 -0.257 1.00 0.00 H new ATOM 0 HG CYS A 28 -5.460 -10.104 -2.206 1.00 0.00 H new ATOM 448 N ALA A 29 -1.575 -9.055 -0.444 1.00 0.00 N ATOM 449 CA ALA A 29 -1.010 -7.776 -0.925 1.00 0.00 C ATOM 450 C ALA A 29 0.501 -7.945 -1.067 1.00 0.00 C ATOM 451 O ALA A 29 1.115 -7.397 -1.963 1.00 0.00 O ATOM 452 CB ALA A 29 -1.336 -6.662 0.079 1.00 0.00 C ATOM 0 H ALA A 29 -1.916 -9.047 0.517 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.440 -7.504 -1.889 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.919 -5.719 -0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.417 -6.567 0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.903 -6.908 1.049 1.00 0.00 H new ATOM 458 N ILE A 30 1.109 -8.722 -0.208 1.00 0.00 N ATOM 459 CA ILE A 30 2.569 -8.930 -0.326 1.00 0.00 C ATOM 460 C ILE A 30 2.827 -9.973 -1.404 1.00 0.00 C ATOM 461 O ILE A 30 3.785 -9.885 -2.147 1.00 0.00 O ATOM 462 CB ILE A 30 3.142 -9.379 1.016 1.00 0.00 C ATOM 463 CG1 ILE A 30 2.538 -10.712 1.461 1.00 0.00 C ATOM 464 CG2 ILE A 30 2.802 -8.320 2.050 1.00 0.00 C ATOM 465 CD1 ILE A 30 3.241 -11.189 2.734 1.00 0.00 C ATOM 0 H ILE A 30 0.656 -9.215 0.562 1.00 0.00 H new ATOM 0 HA ILE A 30 3.060 -7.998 -0.604 1.00 0.00 H new ATOM 0 HB ILE A 30 4.220 -9.509 0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.470 -10.597 1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.648 -11.455 0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.201 -8.617 3.020 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.241 -7.368 1.753 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.719 -8.214 2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.812 -12.139 3.053 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.305 -11.320 2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.108 -10.448 3.522 1.00 0.00 H new ATOM 477 N LEU A 31 1.970 -10.953 -1.518 1.00 0.00 N ATOM 478 CA LEU A 31 2.186 -11.971 -2.582 1.00 0.00 C ATOM 479 C LEU A 31 2.107 -11.262 -3.932 1.00 0.00 C ATOM 480 O LEU A 31 2.860 -11.545 -4.844 1.00 0.00 O ATOM 481 CB LEU A 31 1.111 -13.059 -2.517 1.00 0.00 C ATOM 482 CG LEU A 31 1.314 -13.928 -1.267 1.00 0.00 C ATOM 483 CD1 LEU A 31 0.008 -14.654 -0.937 1.00 0.00 C ATOM 484 CD2 LEU A 31 2.413 -14.971 -1.517 1.00 0.00 C ATOM 0 H LEU A 31 1.146 -11.090 -0.932 1.00 0.00 H new ATOM 0 HA LEU A 31 3.158 -12.444 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.121 -12.602 -2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.156 -13.680 -3.412 1.00 0.00 H new ATOM 0 HG LEU A 31 1.609 -13.286 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.149 -15.272 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.777 -13.922 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.279 -15.286 -1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.547 -15.580 -0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.125 -15.610 -2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.348 -14.464 -1.754 1.00 0.00 H new ATOM 496 N HIS A 32 1.205 -10.326 -4.058 1.00 0.00 N ATOM 497 CA HIS A 32 1.083 -9.586 -5.340 1.00 0.00 C ATOM 498 C HIS A 32 2.304 -8.682 -5.504 1.00 0.00 C ATOM 499 O HIS A 32 2.796 -8.476 -6.596 1.00 0.00 O ATOM 500 CB HIS A 32 -0.191 -8.742 -5.330 1.00 0.00 C ATOM 501 CG HIS A 32 -1.315 -9.536 -5.937 1.00 0.00 C ATOM 502 ND1 HIS A 32 -1.508 -9.616 -7.310 1.00 0.00 N ATOM 503 CD2 HIS A 32 -2.312 -10.296 -5.373 1.00 0.00 C ATOM 504 CE1 HIS A 32 -2.582 -10.400 -7.523 1.00 0.00 C ATOM 505 NE2 HIS A 32 -3.106 -10.838 -6.377 1.00 0.00 N ATOM 0 H HIS A 32 0.550 -10.045 -3.328 1.00 0.00 H new ATOM 0 HA HIS A 32 1.031 -10.290 -6.171 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -0.443 -8.454 -4.309 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -0.036 -7.821 -5.892 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -2.456 -10.448 -4.314 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -2.971 -10.644 -8.501 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -3.919 -11.444 -6.262 1.00 0.00 H new ATOM 514 N GLU A 33 2.803 -8.148 -4.423 1.00 0.00 N ATOM 515 CA GLU A 33 3.999 -7.267 -4.518 1.00 0.00 C ATOM 516 C GLU A 33 5.211 -8.119 -4.901 1.00 0.00 C ATOM 517 O GLU A 33 6.078 -7.692 -5.635 1.00 0.00 O ATOM 518 CB GLU A 33 4.225 -6.560 -3.168 1.00 0.00 C ATOM 519 CG GLU A 33 5.500 -7.060 -2.470 1.00 0.00 C ATOM 520 CD GLU A 33 5.607 -6.402 -1.093 1.00 0.00 C ATOM 521 OE1 GLU A 33 5.221 -5.251 -0.977 1.00 0.00 O ATOM 522 OE2 GLU A 33 6.075 -7.061 -0.179 1.00 0.00 O ATOM 0 H GLU A 33 2.435 -8.284 -3.481 1.00 0.00 H new ATOM 0 HA GLU A 33 3.849 -6.504 -5.281 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.296 -5.484 -3.328 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.365 -6.730 -2.520 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.472 -8.145 -2.367 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.377 -6.819 -3.071 1.00 0.00 H new ATOM 529 N LYS A 34 5.275 -9.325 -4.414 1.00 0.00 N ATOM 530 CA LYS A 34 6.427 -10.196 -4.762 1.00 0.00 C ATOM 531 C LYS A 34 6.241 -10.707 -6.188 1.00 0.00 C ATOM 532 O LYS A 34 7.183 -11.107 -6.844 1.00 0.00 O ATOM 533 CB LYS A 34 6.486 -11.379 -3.794 1.00 0.00 C ATOM 534 CG LYS A 34 7.352 -11.009 -2.587 1.00 0.00 C ATOM 535 CD LYS A 34 6.908 -11.822 -1.369 1.00 0.00 C ATOM 536 CE LYS A 34 7.929 -11.654 -0.243 1.00 0.00 C ATOM 537 NZ LYS A 34 7.443 -12.357 0.977 1.00 0.00 N ATOM 0 H LYS A 34 4.582 -9.743 -3.793 1.00 0.00 H new ATOM 0 HA LYS A 34 7.356 -9.631 -4.689 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.481 -11.645 -3.466 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.899 -12.254 -4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.402 -11.206 -2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.265 -9.943 -2.377 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.925 -11.490 -1.035 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.815 -12.875 -1.636 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.894 -12.059 -0.549 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.081 -10.596 -0.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.137 -12.243 1.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.532 -11.951 1.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.320 -13.369 0.769 1.00 0.00 H new ATOM 614 N MET A 39 1.407 -3.859 -9.316 1.00 0.00 N ATOM 615 CA MET A 39 0.035 -4.011 -9.884 1.00 0.00 C ATOM 616 C MET A 39 -0.949 -4.389 -8.785 1.00 0.00 C ATOM 617 O MET A 39 -0.728 -5.299 -8.011 1.00 0.00 O ATOM 618 CB MET A 39 0.026 -5.088 -10.959 1.00 0.00 C ATOM 619 CG MET A 39 0.579 -6.393 -10.382 1.00 0.00 C ATOM 620 SD MET A 39 0.951 -7.549 -11.726 1.00 0.00 S ATOM 621 CE MET A 39 2.256 -6.577 -12.518 1.00 0.00 C ATOM 0 HA MET A 39 -0.262 -3.060 -10.325 1.00 0.00 H new ATOM 0 HB2 MET A 39 -0.989 -5.242 -11.326 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.628 -4.771 -11.811 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.480 -6.192 -9.803 1.00 0.00 H new ATOM 0 HG3 MET A 39 -0.146 -6.836 -9.699 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.979 -7.248 -12.981 1.00 0.00 H new ATOM 0 HE2 MET A 39 1.818 -5.933 -13.281 1.00 0.00 H new ATOM 0 HE3 MET A 39 2.758 -5.964 -11.770 1.00 0.00 H new ATOM 631 N CYS A 40 -2.039 -3.686 -8.723 1.00 0.00 N ATOM 632 CA CYS A 40 -3.066 -3.978 -7.680 1.00 0.00 C ATOM 633 C CYS A 40 -3.756 -5.314 -8.025 1.00 0.00 C ATOM 634 O CYS A 40 -4.077 -5.556 -9.172 1.00 0.00 O ATOM 635 CB CYS A 40 -4.107 -2.852 -7.655 1.00 0.00 C ATOM 636 SG CYS A 40 -4.734 -2.638 -5.972 1.00 0.00 S ATOM 0 H CYS A 40 -2.269 -2.916 -9.351 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.593 -4.047 -6.701 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.660 -1.923 -8.008 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.928 -3.088 -8.332 1.00 0.00 H new ATOM 0 HG CYS A 40 -3.796 -2.928 -5.119 1.00 0.00 H new ATOM 641 N PRO A 41 -3.983 -6.187 -7.062 1.00 0.00 N ATOM 642 CA PRO A 41 -4.639 -7.497 -7.326 1.00 0.00 C ATOM 643 C PRO A 41 -5.876 -7.379 -8.217 1.00 0.00 C ATOM 644 O PRO A 41 -6.054 -8.149 -9.140 1.00 0.00 O ATOM 645 CB PRO A 41 -5.046 -8.002 -5.943 1.00 0.00 C ATOM 646 CG PRO A 41 -4.141 -7.323 -4.974 1.00 0.00 C ATOM 647 CD PRO A 41 -3.653 -6.032 -5.633 1.00 0.00 C ATOM 0 HA PRO A 41 -3.962 -8.165 -7.859 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.089 -7.766 -5.733 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.945 -9.085 -5.878 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.668 -7.105 -4.045 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.299 -7.966 -4.719 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.147 -5.159 -5.206 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.581 -5.895 -5.488 1.00 0.00 H new ATOM 655 N GLY A 42 -6.741 -6.440 -7.928 1.00 0.00 N ATOM 656 CA GLY A 42 -7.990 -6.294 -8.743 1.00 0.00 C ATOM 657 C GLY A 42 -7.953 -5.019 -9.590 1.00 0.00 C ATOM 658 O GLY A 42 -8.576 -4.945 -10.631 1.00 0.00 O ATOM 0 H GLY A 42 -6.639 -5.769 -7.166 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.107 -7.162 -9.392 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.857 -6.270 -8.083 1.00 0.00 H new ATOM 662 N CYS A 43 -7.254 -4.011 -9.152 1.00 0.00 N ATOM 663 CA CYS A 43 -7.211 -2.742 -9.930 1.00 0.00 C ATOM 664 C CYS A 43 -5.994 -2.721 -10.859 1.00 0.00 C ATOM 665 O CYS A 43 -5.910 -1.912 -11.760 1.00 0.00 O ATOM 666 CB CYS A 43 -7.130 -1.571 -8.955 1.00 0.00 C ATOM 667 SG CYS A 43 -7.530 -2.163 -7.294 1.00 0.00 S ATOM 0 H CYS A 43 -6.710 -4.010 -8.289 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.111 -2.664 -10.540 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -6.130 -1.137 -8.970 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.824 -0.784 -9.252 1.00 0.00 H new ATOM 0 HG CYS A 43 -6.432 -2.359 -6.627 1.00 0.00 H new ATOM 672 N SER A 44 -5.049 -3.593 -10.647 1.00 0.00 N ATOM 673 CA SER A 44 -3.844 -3.602 -11.523 1.00 0.00 C ATOM 674 C SER A 44 -3.303 -2.175 -11.651 1.00 0.00 C ATOM 675 O SER A 44 -2.854 -1.763 -12.702 1.00 0.00 O ATOM 676 CB SER A 44 -4.224 -4.132 -12.907 1.00 0.00 C ATOM 677 OG SER A 44 -4.883 -3.107 -13.638 1.00 0.00 O ATOM 0 H SER A 44 -5.058 -4.297 -9.909 1.00 0.00 H new ATOM 0 HA SER A 44 -3.079 -4.245 -11.088 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.332 -4.459 -13.441 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.875 -5.001 -12.810 1.00 0.00 H new ATOM 0 HG SER A 44 -5.638 -2.766 -13.115 1.00 0.00 H new ATOM 683 N ASP A 45 -3.343 -1.420 -10.587 1.00 0.00 N ATOM 684 CA ASP A 45 -2.832 -0.023 -10.640 1.00 0.00 C ATOM 685 C ASP A 45 -1.362 -0.015 -10.224 1.00 0.00 C ATOM 686 O ASP A 45 -0.887 -0.943 -9.607 1.00 0.00 O ATOM 687 CB ASP A 45 -3.639 0.851 -9.676 1.00 0.00 C ATOM 688 CG ASP A 45 -4.539 1.798 -10.471 1.00 0.00 C ATOM 689 OD1 ASP A 45 -5.134 1.347 -11.436 1.00 0.00 O ATOM 690 OD2 ASP A 45 -4.618 2.958 -10.102 1.00 0.00 O ATOM 0 H ASP A 45 -3.709 -1.713 -9.681 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.931 0.368 -11.652 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.243 0.224 -9.020 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.966 1.423 -9.038 1.00 0.00 H new ATOM 695 N PRO A 46 -0.643 1.020 -10.559 1.00 0.00 N ATOM 696 CA PRO A 46 0.800 1.131 -10.208 1.00 0.00 C ATOM 697 C PRO A 46 1.030 1.085 -8.689 1.00 0.00 C ATOM 698 O PRO A 46 1.357 2.073 -8.063 1.00 0.00 O ATOM 699 CB PRO A 46 1.228 2.486 -10.799 1.00 0.00 C ATOM 700 CG PRO A 46 -0.038 3.239 -11.048 1.00 0.00 C ATOM 701 CD PRO A 46 -1.121 2.194 -11.301 1.00 0.00 C ATOM 0 HA PRO A 46 1.381 0.298 -10.604 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.875 3.027 -10.109 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.790 2.350 -11.723 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.293 3.863 -10.191 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.068 3.903 -11.906 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.094 2.528 -10.940 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.232 1.980 -12.364 1.00 0.00 H new ATOM 709 N VAL A 47 0.857 -0.069 -8.093 1.00 0.00 N ATOM 710 CA VAL A 47 1.066 -0.193 -6.618 1.00 0.00 C ATOM 711 C VAL A 47 2.357 0.525 -6.217 1.00 0.00 C ATOM 712 O VAL A 47 3.436 -0.024 -6.318 1.00 0.00 O ATOM 713 CB VAL A 47 1.182 -1.668 -6.250 1.00 0.00 C ATOM 714 CG1 VAL A 47 1.392 -1.805 -4.747 1.00 0.00 C ATOM 715 CG2 VAL A 47 -0.092 -2.390 -6.668 1.00 0.00 C ATOM 0 H VAL A 47 0.580 -0.930 -8.565 1.00 0.00 H new ATOM 0 HA VAL A 47 0.222 0.257 -6.095 1.00 0.00 H new ATOM 0 HB VAL A 47 2.033 -2.111 -6.767 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.475 -2.860 -4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.307 -1.287 -4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.545 -1.366 -4.220 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.014 -3.445 -6.407 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.945 -1.950 -6.152 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.229 -2.292 -7.745 1.00 0.00 H new ATOM 725 N GLN A 48 2.261 1.743 -5.755 1.00 0.00 N ATOM 726 CA GLN A 48 3.490 2.472 -5.342 1.00 0.00 C ATOM 727 C GLN A 48 4.087 1.760 -4.137 1.00 0.00 C ATOM 728 O GLN A 48 5.193 1.258 -4.188 1.00 0.00 O ATOM 729 CB GLN A 48 3.144 3.918 -4.978 1.00 0.00 C ATOM 730 CG GLN A 48 4.312 4.556 -4.223 1.00 0.00 C ATOM 731 CD GLN A 48 4.399 6.042 -4.579 1.00 0.00 C ATOM 732 OE1 GLN A 48 3.917 6.883 -3.846 1.00 0.00 O ATOM 733 NE2 GLN A 48 5.000 6.402 -5.679 1.00 0.00 N ATOM 0 H GLN A 48 1.389 2.261 -5.647 1.00 0.00 H new ATOM 0 HA GLN A 48 4.209 2.487 -6.161 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.928 4.488 -5.881 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.245 3.943 -4.363 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.173 4.436 -3.149 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.244 4.054 -4.482 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.404 5.696 -6.294 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.066 7.390 -5.924 1.00 0.00 H new ATOM 742 N ARG A 49 3.362 1.696 -3.056 1.00 0.00 N ATOM 743 CA ARG A 49 3.896 0.991 -1.861 1.00 0.00 C ATOM 744 C ARG A 49 2.744 0.366 -1.071 1.00 0.00 C ATOM 745 O ARG A 49 1.713 0.965 -0.875 1.00 0.00 O ATOM 746 CB ARG A 49 4.694 1.983 -0.994 1.00 0.00 C ATOM 747 CG ARG A 49 4.206 1.976 0.461 1.00 0.00 C ATOM 748 CD ARG A 49 5.083 2.918 1.289 1.00 0.00 C ATOM 749 NE ARG A 49 6.328 2.208 1.695 1.00 0.00 N ATOM 750 CZ ARG A 49 7.203 2.808 2.455 1.00 0.00 C ATOM 751 NH1 ARG A 49 6.986 4.031 2.860 1.00 0.00 N ATOM 752 NH2 ARG A 49 8.295 2.187 2.811 1.00 0.00 N ATOM 0 H ARG A 49 2.431 2.098 -2.949 1.00 0.00 H new ATOM 0 HA ARG A 49 4.566 0.190 -2.172 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.753 1.725 -1.025 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.598 2.987 -1.406 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.164 2.293 0.509 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.251 0.966 0.868 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.331 3.806 0.708 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.540 3.256 2.172 1.00 0.00 H new ATOM 0 HE ARG A 49 6.497 1.253 1.379 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.133 4.516 2.582 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.670 4.500 3.454 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.465 1.232 2.495 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.978 2.657 3.405 1.00 0.00 H new ATOM 766 N ILE A 50 2.917 -0.836 -0.610 1.00 0.00 N ATOM 767 CA ILE A 50 1.838 -1.493 0.167 1.00 0.00 C ATOM 768 C ILE A 50 2.073 -1.277 1.648 1.00 0.00 C ATOM 769 O ILE A 50 3.193 -1.203 2.114 1.00 0.00 O ATOM 770 CB ILE A 50 1.822 -2.986 -0.112 1.00 0.00 C ATOM 771 CG1 ILE A 50 2.055 -3.207 -1.600 1.00 0.00 C ATOM 772 CG2 ILE A 50 0.472 -3.574 0.302 1.00 0.00 C ATOM 773 CD1 ILE A 50 1.673 -4.636 -1.979 1.00 0.00 C ATOM 0 H ILE A 50 3.762 -1.393 -0.738 1.00 0.00 H new ATOM 0 HA ILE A 50 0.883 -1.058 -0.129 1.00 0.00 H new ATOM 0 HB ILE A 50 2.607 -3.481 0.459 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.464 -2.498 -2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.101 -3.024 -1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.464 -4.645 0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.312 -3.404 1.367 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.324 -3.092 -0.266 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.842 -4.787 -3.045 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.283 -5.338 -1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.620 -4.804 -1.751 1.00 0.00 H new ATOM 785 N GLU A 51 1.016 -1.178 2.381 1.00 0.00 N ATOM 786 CA GLU A 51 1.135 -0.968 3.847 1.00 0.00 C ATOM 787 C GLU A 51 0.075 -1.793 4.573 1.00 0.00 C ATOM 788 O GLU A 51 -0.956 -2.120 4.022 1.00 0.00 O ATOM 789 CB GLU A 51 0.954 0.514 4.159 1.00 0.00 C ATOM 790 CG GLU A 51 1.952 1.315 3.324 1.00 0.00 C ATOM 791 CD GLU A 51 1.907 2.786 3.739 1.00 0.00 C ATOM 792 OE1 GLU A 51 0.872 3.404 3.549 1.00 0.00 O ATOM 793 OE2 GLU A 51 2.909 3.270 4.240 1.00 0.00 O ATOM 0 H GLU A 51 0.060 -1.233 2.029 1.00 0.00 H new ATOM 0 HA GLU A 51 2.120 -1.288 4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.065 0.826 3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.115 0.699 5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.958 0.919 3.463 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.715 1.219 2.265 1.00 0.00 H new ATOM 800 N GLN A 52 0.338 -2.135 5.805 1.00 0.00 N ATOM 801 CA GLN A 52 -0.632 -2.949 6.593 1.00 0.00 C ATOM 802 C GLN A 52 -1.268 -2.083 7.679 1.00 0.00 C ATOM 803 O GLN A 52 -0.607 -1.294 8.323 1.00 0.00 O ATOM 804 CB GLN A 52 0.105 -4.121 7.246 1.00 0.00 C ATOM 805 CG GLN A 52 0.868 -3.624 8.475 1.00 0.00 C ATOM 806 CD GLN A 52 1.959 -4.631 8.840 1.00 0.00 C ATOM 807 OE1 GLN A 52 3.113 -4.444 8.504 1.00 0.00 O ATOM 808 NE2 GLN A 52 1.644 -5.700 9.519 1.00 0.00 N ATOM 0 H GLN A 52 1.191 -1.883 6.304 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.411 -3.327 5.930 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.606 -4.895 7.535 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.796 -4.572 6.534 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.311 -2.649 8.271 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.183 -3.494 9.313 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.677 -5.858 9.801 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.365 -6.377 9.767 1.00 0.00 H new ATOM 817 N CYS A 53 -2.551 -2.225 7.885 1.00 0.00 N ATOM 818 CA CYS A 53 -3.235 -1.410 8.929 1.00 0.00 C ATOM 819 C CYS A 53 -4.304 -2.253 9.628 1.00 0.00 C ATOM 820 O CYS A 53 -4.680 -3.309 9.162 1.00 0.00 O ATOM 821 CB CYS A 53 -3.896 -0.197 8.271 1.00 0.00 C ATOM 822 SG CYS A 53 -3.075 1.316 8.831 1.00 0.00 S ATOM 0 H CYS A 53 -3.154 -2.870 7.375 1.00 0.00 H new ATOM 0 HA CYS A 53 -2.502 -1.077 9.664 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -3.831 -0.278 7.186 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.955 -0.164 8.526 1.00 0.00 H new ATOM 0 HG CYS A 53 -3.635 2.347 8.270 1.00 0.00 H new ATOM 827 N THR A 54 -4.798 -1.789 10.744 1.00 0.00 N ATOM 828 CA THR A 54 -5.846 -2.557 11.472 1.00 0.00 C ATOM 829 C THR A 54 -7.210 -2.252 10.853 1.00 0.00 C ATOM 830 O THR A 54 -7.394 -1.241 10.205 1.00 0.00 O ATOM 831 CB THR A 54 -5.849 -2.146 12.946 1.00 0.00 C ATOM 832 OG1 THR A 54 -4.992 -1.027 13.126 1.00 0.00 O ATOM 833 CG2 THR A 54 -5.355 -3.312 13.804 1.00 0.00 C ATOM 0 H THR A 54 -4.520 -0.911 11.182 1.00 0.00 H new ATOM 0 HA THR A 54 -5.639 -3.625 11.397 1.00 0.00 H new ATOM 0 HB THR A 54 -6.862 -1.880 13.247 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.376 -0.245 12.677 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.358 -3.018 14.854 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.013 -4.170 13.666 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.342 -3.580 13.505 1.00 0.00 H new ATOM 841 N ARG A 55 -8.167 -3.120 11.034 1.00 0.00 N ATOM 842 CA ARG A 55 -9.513 -2.874 10.439 1.00 0.00 C ATOM 843 C ARG A 55 -10.228 -1.759 11.198 1.00 0.00 C ATOM 844 O ARG A 55 -11.439 -1.737 11.303 1.00 0.00 O ATOM 845 CB ARG A 55 -10.345 -4.156 10.495 1.00 0.00 C ATOM 846 CG ARG A 55 -10.642 -4.512 11.954 1.00 0.00 C ATOM 847 CD ARG A 55 -11.134 -5.958 12.036 1.00 0.00 C ATOM 848 NE ARG A 55 -10.024 -6.884 11.674 1.00 0.00 N ATOM 849 CZ ARG A 55 -9.099 -7.167 12.548 1.00 0.00 C ATOM 850 NH1 ARG A 55 -9.145 -6.641 13.741 1.00 0.00 N ATOM 851 NH2 ARG A 55 -8.126 -7.977 12.229 1.00 0.00 N ATOM 0 H ARG A 55 -8.077 -3.986 11.566 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.390 -2.570 9.400 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.277 -4.021 9.946 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.807 -4.972 10.013 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.745 -4.387 12.560 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.396 -3.837 12.358 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.489 -6.176 13.043 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.978 -6.105 11.362 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.988 -7.297 10.742 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.905 -6.008 13.990 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.421 -6.863 14.424 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.090 -8.388 11.296 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.402 -8.199 12.913 1.00 0.00 H new ATOM 865 N GLY A 56 -9.487 -0.822 11.709 1.00 0.00 N ATOM 866 CA GLY A 56 -10.107 0.311 12.442 1.00 0.00 C ATOM 867 C GLY A 56 -9.256 1.553 12.199 1.00 0.00 C ATOM 868 O GLY A 56 -9.372 2.547 12.889 1.00 0.00 O ATOM 0 H GLY A 56 -8.469 -0.792 11.650 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.128 0.475 12.097 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.163 0.090 13.508 1.00 0.00 H new ATOM 872 N SER A 57 -8.383 1.489 11.227 1.00 0.00 N ATOM 873 CA SER A 57 -7.497 2.651 10.939 1.00 0.00 C ATOM 874 C SER A 57 -8.073 3.491 9.796 1.00 0.00 C ATOM 875 O SER A 57 -7.848 4.683 9.729 1.00 0.00 O ATOM 876 CB SER A 57 -6.109 2.143 10.545 1.00 0.00 C ATOM 877 OG SER A 57 -5.493 1.539 11.675 1.00 0.00 O ATOM 0 H SER A 57 -8.247 0.680 10.621 1.00 0.00 H new ATOM 0 HA SER A 57 -7.427 3.272 11.832 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.190 1.422 9.732 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.497 2.968 10.180 1.00 0.00 H new ATOM 0 HG SER A 57 -4.646 1.126 11.404 1.00 0.00 H new ATOM 883 N LEU A 58 -8.808 2.880 8.901 1.00 0.00 N ATOM 884 CA LEU A 58 -9.396 3.643 7.757 1.00 0.00 C ATOM 885 C LEU A 58 -10.920 3.658 7.874 1.00 0.00 C ATOM 886 O LEU A 58 -11.495 2.985 8.707 1.00 0.00 O ATOM 887 CB LEU A 58 -9.021 2.978 6.429 1.00 0.00 C ATOM 888 CG LEU A 58 -7.710 2.200 6.557 1.00 0.00 C ATOM 889 CD1 LEU A 58 -7.371 1.584 5.200 1.00 0.00 C ATOM 890 CD2 LEU A 58 -6.583 3.149 6.970 1.00 0.00 C ATOM 0 H LEU A 58 -9.027 1.884 8.913 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.005 4.660 7.785 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.819 2.304 6.117 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.923 3.737 5.653 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.819 1.420 7.311 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.438 1.026 5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.172 0.911 4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.261 2.375 4.459 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.651 2.590 7.060 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.468 3.927 6.216 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.826 3.606 7.929 1.00 0.00 H new ATOM 902 N PHE A 59 -11.571 4.418 7.028 1.00 0.00 N ATOM 903 CA PHE A 59 -13.059 4.490 7.054 1.00 0.00 C ATOM 904 C PHE A 59 -13.605 3.954 5.727 1.00 0.00 C ATOM 905 O PHE A 59 -13.241 4.416 4.664 1.00 0.00 O ATOM 906 CB PHE A 59 -13.495 5.943 7.248 1.00 0.00 C ATOM 907 CG PHE A 59 -12.878 6.486 8.515 1.00 0.00 C ATOM 908 CD1 PHE A 59 -11.531 6.865 8.531 1.00 0.00 C ATOM 909 CD2 PHE A 59 -13.654 6.611 9.674 1.00 0.00 C ATOM 910 CE1 PHE A 59 -10.959 7.370 9.705 1.00 0.00 C ATOM 911 CE2 PHE A 59 -13.082 7.115 10.848 1.00 0.00 C ATOM 912 CZ PHE A 59 -11.735 7.495 10.864 1.00 0.00 C ATOM 0 H PHE A 59 -11.127 4.996 6.314 1.00 0.00 H new ATOM 0 HA PHE A 59 -13.447 3.890 7.877 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.186 6.544 6.393 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -14.582 6.004 7.304 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -10.932 6.768 7.637 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -14.694 6.319 9.662 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -9.920 7.663 9.717 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -13.680 7.211 11.742 1.00 0.00 H new ATOM 0 HZ PHE A 59 -11.294 7.884 11.770 1.00 0.00 H new ATOM 922 N MET A 60 -14.462 2.971 5.780 1.00 0.00 N ATOM 923 CA MET A 60 -15.017 2.387 4.522 1.00 0.00 C ATOM 924 C MET A 60 -16.245 3.178 4.063 1.00 0.00 C ATOM 925 O MET A 60 -17.031 3.645 4.862 1.00 0.00 O ATOM 926 CB MET A 60 -15.423 0.934 4.782 1.00 0.00 C ATOM 927 CG MET A 60 -15.029 0.068 3.584 1.00 0.00 C ATOM 928 SD MET A 60 -15.808 0.715 2.085 1.00 0.00 S ATOM 929 CE MET A 60 -14.321 0.754 1.054 1.00 0.00 C ATOM 0 H MET A 60 -14.804 2.545 6.642 1.00 0.00 H new ATOM 0 HA MET A 60 -14.256 2.432 3.743 1.00 0.00 H new ATOM 0 HB2 MET A 60 -14.936 0.566 5.685 1.00 0.00 H new ATOM 0 HB3 MET A 60 -16.498 0.871 4.951 1.00 0.00 H new ATOM 0 HG2 MET A 60 -13.945 0.061 3.469 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.339 -0.964 3.751 1.00 0.00 H new ATOM 0 HE1 MET A 60 -14.575 1.129 0.063 1.00 0.00 H new ATOM 0 HE2 MET A 60 -13.579 1.409 1.511 1.00 0.00 H new ATOM 0 HE3 MET A 60 -13.912 -0.253 0.967 1.00 0.00 H new ATOM 939 N CYS A 61 -16.419 3.315 2.773 1.00 0.00 N ATOM 940 CA CYS A 61 -17.602 4.058 2.250 1.00 0.00 C ATOM 941 C CYS A 61 -18.709 3.060 1.907 1.00 0.00 C ATOM 942 O CYS A 61 -18.598 2.303 0.963 1.00 0.00 O ATOM 943 CB CYS A 61 -17.216 4.835 0.988 1.00 0.00 C ATOM 944 SG CYS A 61 -18.639 5.812 0.443 1.00 0.00 S ATOM 0 H CYS A 61 -15.791 2.944 2.060 1.00 0.00 H new ATOM 0 HA CYS A 61 -17.952 4.758 3.009 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -16.367 5.487 1.192 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -16.908 4.147 0.201 1.00 0.00 H new ATOM 0 HG CYS A 61 -19.661 5.028 0.265 1.00 0.00 H new ATOM 1051 N ARG A 69 -13.218 4.105 -2.286 1.00 0.00 N ATOM 1052 CA ARG A 69 -12.395 3.187 -1.452 1.00 0.00 C ATOM 1053 C ARG A 69 -12.439 3.627 0.016 1.00 0.00 C ATOM 1054 O ARG A 69 -13.403 4.205 0.479 1.00 0.00 O ATOM 1055 CB ARG A 69 -10.948 3.255 -1.940 1.00 0.00 C ATOM 1056 CG ARG A 69 -10.422 4.687 -1.785 1.00 0.00 C ATOM 1057 CD ARG A 69 -9.825 5.163 -3.110 1.00 0.00 C ATOM 1058 NE ARG A 69 -9.365 6.573 -2.970 1.00 0.00 N ATOM 1059 CZ ARG A 69 -8.763 7.166 -3.965 1.00 0.00 C ATOM 1060 NH1 ARG A 69 -8.568 6.525 -5.084 1.00 0.00 N ATOM 1061 NH2 ARG A 69 -8.359 8.401 -3.841 1.00 0.00 N ATOM 0 HA ARG A 69 -12.785 2.173 -1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -10.328 2.565 -1.368 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.890 2.946 -2.984 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -11.231 5.351 -1.480 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -9.666 4.724 -1.000 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.990 4.523 -3.395 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.569 5.089 -3.904 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.521 7.075 -2.096 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.886 5.561 -5.181 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.098 6.988 -5.862 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.514 8.903 -2.967 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.889 8.864 -4.619 1.00 0.00 H new ATOM 1075 N THR A 70 -11.384 3.366 0.746 1.00 0.00 N ATOM 1076 CA THR A 70 -11.329 3.771 2.177 1.00 0.00 C ATOM 1077 C THR A 70 -10.719 5.171 2.271 1.00 0.00 C ATOM 1078 O THR A 70 -10.455 5.809 1.271 1.00 0.00 O ATOM 1079 CB THR A 70 -10.438 2.792 2.948 1.00 0.00 C ATOM 1080 OG1 THR A 70 -9.769 1.941 2.028 1.00 0.00 O ATOM 1081 CG2 THR A 70 -11.284 1.949 3.899 1.00 0.00 C ATOM 0 H THR A 70 -10.552 2.885 0.405 1.00 0.00 H new ATOM 0 HA THR A 70 -12.334 3.767 2.600 1.00 0.00 H new ATOM 0 HB THR A 70 -9.707 3.355 3.528 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.082 1.426 2.499 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.640 1.257 4.442 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.794 2.601 4.607 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.022 1.386 3.328 1.00 0.00 H new ATOM 1089 N TYR A 71 -10.475 5.649 3.459 1.00 0.00 N ATOM 1090 CA TYR A 71 -9.868 6.993 3.607 1.00 0.00 C ATOM 1091 C TYR A 71 -9.082 7.039 4.913 1.00 0.00 C ATOM 1092 O TYR A 71 -9.041 6.075 5.651 1.00 0.00 O ATOM 1093 CB TYR A 71 -10.960 8.054 3.624 1.00 0.00 C ATOM 1094 CG TYR A 71 -11.698 8.028 2.306 1.00 0.00 C ATOM 1095 CD1 TYR A 71 -12.786 7.165 2.129 1.00 0.00 C ATOM 1096 CD2 TYR A 71 -11.292 8.865 1.260 1.00 0.00 C ATOM 1097 CE1 TYR A 71 -13.467 7.139 0.906 1.00 0.00 C ATOM 1098 CE2 TYR A 71 -11.975 8.839 0.037 1.00 0.00 C ATOM 1099 CZ TYR A 71 -13.062 7.976 -0.139 1.00 0.00 C ATOM 1100 OH TYR A 71 -13.734 7.950 -1.344 1.00 0.00 O ATOM 0 H TYR A 71 -10.672 5.163 4.334 1.00 0.00 H new ATOM 0 HA TYR A 71 -9.200 7.189 2.768 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.652 7.868 4.446 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.524 9.039 3.791 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.100 6.519 2.936 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.452 9.531 1.396 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.306 6.472 0.769 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.662 9.485 -0.770 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.325 8.593 -1.960 1.00 0.00 H new ATOM 1110 N LEU A 72 -8.449 8.142 5.192 1.00 0.00 N ATOM 1111 CA LEU A 72 -7.644 8.256 6.439 1.00 0.00 C ATOM 1112 C LEU A 72 -8.339 9.200 7.417 1.00 0.00 C ATOM 1113 O LEU A 72 -7.954 9.307 8.564 1.00 0.00 O ATOM 1114 CB LEU A 72 -6.252 8.806 6.103 1.00 0.00 C ATOM 1115 CG LEU A 72 -6.010 8.742 4.591 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -4.608 9.269 4.278 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -6.119 7.293 4.105 1.00 0.00 C ATOM 0 H LEU A 72 -8.454 8.976 4.605 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.547 7.270 6.894 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.166 9.836 6.449 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.489 8.229 6.626 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.759 9.351 4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.434 9.224 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.523 10.302 4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.866 8.657 4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.946 7.256 3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.374 6.682 4.614 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.115 6.909 4.325 1.00 0.00 H new ATOM 1129 N SER A 73 -9.354 9.892 6.980 1.00 0.00 N ATOM 1130 CA SER A 73 -10.050 10.827 7.905 1.00 0.00 C ATOM 1131 C SER A 73 -11.502 11.006 7.468 1.00 0.00 C ATOM 1132 O SER A 73 -11.789 11.239 6.311 1.00 0.00 O ATOM 1133 CB SER A 73 -9.344 12.183 7.882 1.00 0.00 C ATOM 1134 OG SER A 73 -10.018 13.079 8.756 1.00 0.00 O ATOM 0 H SER A 73 -9.728 9.851 6.032 1.00 0.00 H new ATOM 0 HA SER A 73 -10.027 10.416 8.914 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.304 12.070 8.190 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.335 12.584 6.868 1.00 0.00 H new ATOM 0 HG SER A 73 -9.567 13.949 8.745 1.00 0.00 H new ATOM 1140 N GLN A 74 -12.421 10.903 8.389 1.00 0.00 N ATOM 1141 CA GLN A 74 -13.854 11.075 8.029 1.00 0.00 C ATOM 1142 C GLN A 74 -14.007 12.330 7.173 1.00 0.00 C ATOM 1143 O GLN A 74 -14.958 12.480 6.436 1.00 0.00 O ATOM 1144 CB GLN A 74 -14.688 11.220 9.304 1.00 0.00 C ATOM 1145 CG GLN A 74 -16.107 10.709 9.047 1.00 0.00 C ATOM 1146 CD GLN A 74 -16.154 9.198 9.281 1.00 0.00 C ATOM 1147 OE1 GLN A 74 -15.666 8.394 8.377 1.00 0.00 O flip ATOM 1148 NE2 GLN A 74 -16.640 8.743 10.298 1.00 0.00 N flip ATOM 0 H GLN A 74 -12.240 10.707 9.374 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.200 10.205 7.470 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.229 10.657 10.117 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.717 12.264 9.615 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -16.812 11.212 9.709 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -16.409 10.939 8.025 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -17.022 9.370 11.006 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -16.666 7.734 10.444 1.00 0.00 H new ATOM 1157 N ARG A 75 -13.071 13.234 7.264 1.00 0.00 N ATOM 1158 CA ARG A 75 -13.152 14.486 6.461 1.00 0.00 C ATOM 1159 C ARG A 75 -12.906 14.174 4.984 1.00 0.00 C ATOM 1160 O ARG A 75 -13.452 14.810 4.104 1.00 0.00 O ATOM 1161 CB ARG A 75 -12.082 15.457 6.957 1.00 0.00 C ATOM 1162 CG ARG A 75 -12.253 16.815 6.276 1.00 0.00 C ATOM 1163 CD ARG A 75 -10.884 17.348 5.849 1.00 0.00 C ATOM 1164 NE ARG A 75 -10.992 18.801 5.536 1.00 0.00 N ATOM 1165 CZ ARG A 75 -11.525 19.188 4.410 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -11.964 18.303 3.557 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -11.620 20.461 4.137 1.00 0.00 N ATOM 0 H ARG A 75 -12.249 13.159 7.863 1.00 0.00 H new ATOM 0 HA ARG A 75 -14.142 14.928 6.571 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.156 15.571 8.038 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.090 15.057 6.746 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.905 16.719 5.407 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.732 17.518 6.958 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.156 17.190 6.645 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.526 16.803 4.976 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.649 19.493 6.202 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.890 17.308 3.771 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.381 18.606 2.677 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.278 21.153 4.804 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.037 20.764 3.257 1.00 0.00 H new ATOM 1181 N ASP A 76 -12.089 13.202 4.706 1.00 0.00 N ATOM 1182 CA ASP A 76 -11.809 12.855 3.288 1.00 0.00 C ATOM 1183 C ASP A 76 -12.917 11.937 2.793 1.00 0.00 C ATOM 1184 O ASP A 76 -13.341 12.000 1.655 1.00 0.00 O ATOM 1185 CB ASP A 76 -10.459 12.142 3.190 1.00 0.00 C ATOM 1186 CG ASP A 76 -9.333 13.146 3.443 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -9.639 14.276 3.788 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -8.183 12.768 3.289 1.00 0.00 O ATOM 0 H ASP A 76 -11.603 12.632 5.398 1.00 0.00 H new ATOM 0 HA ASP A 76 -11.772 13.758 2.678 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.409 11.333 3.918 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.344 11.691 2.204 1.00 0.00 H new ATOM 1193 N LEU A 77 -13.413 11.104 3.658 1.00 0.00 N ATOM 1194 CA LEU A 77 -14.510 10.204 3.267 1.00 0.00 C ATOM 1195 C LEU A 77 -15.775 11.033 3.213 1.00 0.00 C ATOM 1196 O LEU A 77 -16.635 10.813 2.390 1.00 0.00 O ATOM 1197 CB LEU A 77 -14.651 9.094 4.307 1.00 0.00 C ATOM 1198 CG LEU A 77 -16.004 8.391 4.160 1.00 0.00 C ATOM 1199 CD1 LEU A 77 -15.812 6.889 4.356 1.00 0.00 C ATOM 1200 CD2 LEU A 77 -16.974 8.924 5.219 1.00 0.00 C ATOM 0 H LEU A 77 -13.099 11.012 4.624 1.00 0.00 H new ATOM 0 HA LEU A 77 -14.316 9.744 2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.844 8.371 4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.559 9.513 5.309 1.00 0.00 H new ATOM 0 HG LEU A 77 -16.411 8.583 3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -16.772 6.383 4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -15.119 6.510 3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.408 6.701 5.351 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.937 8.424 5.115 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.570 8.730 6.213 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -17.106 9.998 5.084 1.00 0.00 H new ATOM 1212 N GLN A 78 -15.889 12.008 4.069 1.00 0.00 N ATOM 1213 CA GLN A 78 -17.100 12.855 4.024 1.00 0.00 C ATOM 1214 C GLN A 78 -17.001 13.681 2.758 1.00 0.00 C ATOM 1215 O GLN A 78 -17.980 13.973 2.087 1.00 0.00 O ATOM 1216 CB GLN A 78 -17.176 13.768 5.250 1.00 0.00 C ATOM 1217 CG GLN A 78 -18.478 14.576 5.211 1.00 0.00 C ATOM 1218 CD GLN A 78 -19.672 13.631 5.371 1.00 0.00 C ATOM 1219 OE1 GLN A 78 -20.193 13.060 4.316 1.00 0.00 O flip ATOM 1220 NE2 GLN A 78 -20.140 13.410 6.471 1.00 0.00 N flip ATOM 0 H GLN A 78 -15.205 12.249 4.786 1.00 0.00 H new ATOM 0 HA GLN A 78 -18.001 12.241 4.029 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -17.133 13.173 6.162 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -16.319 14.441 5.268 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -18.480 15.320 6.008 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -18.554 15.118 4.268 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -19.736 13.854 7.296 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -20.937 12.781 6.569 1.00 0.00 H new ATOM 1229 N ALA A 79 -15.798 14.022 2.411 1.00 0.00 N ATOM 1230 CA ALA A 79 -15.580 14.797 1.178 1.00 0.00 C ATOM 1231 C ALA A 79 -15.780 13.862 -0.003 1.00 0.00 C ATOM 1232 O ALA A 79 -16.011 14.291 -1.113 1.00 0.00 O ATOM 1233 CB ALA A 79 -14.156 15.355 1.165 1.00 0.00 C ATOM 0 H ALA A 79 -14.954 13.793 2.935 1.00 0.00 H new ATOM 0 HA ALA A 79 -16.279 15.631 1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.998 15.928 0.251 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -14.011 16.003 2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.442 14.532 1.205 1.00 0.00 H new ATOM 1239 N HIS A 80 -15.704 12.574 0.222 1.00 0.00 N ATOM 1240 CA HIS A 80 -15.902 11.639 -0.921 1.00 0.00 C ATOM 1241 C HIS A 80 -17.388 11.594 -1.261 1.00 0.00 C ATOM 1242 O HIS A 80 -17.780 11.676 -2.409 1.00 0.00 O ATOM 1243 CB HIS A 80 -15.399 10.242 -0.565 1.00 0.00 C ATOM 1244 CG HIS A 80 -16.017 9.243 -1.497 1.00 0.00 C ATOM 1245 ND1 HIS A 80 -15.758 9.228 -2.858 1.00 0.00 N ATOM 1246 CD2 HIS A 80 -16.890 8.218 -1.270 1.00 0.00 C ATOM 1247 CE1 HIS A 80 -16.470 8.216 -3.392 1.00 0.00 C ATOM 1248 NE2 HIS A 80 -17.178 7.566 -2.465 1.00 0.00 N ATOM 0 H HIS A 80 -15.518 12.140 1.126 1.00 0.00 H new ATOM 0 HA HIS A 80 -15.334 11.990 -1.783 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -14.312 10.204 -0.640 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -15.656 10.002 0.467 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -15.142 9.865 -3.363 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -17.297 7.953 -0.305 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -16.468 7.962 -4.442 1.00 0.00 H new ATOM 1256 N ILE A 81 -18.220 11.495 -0.264 1.00 0.00 N ATOM 1257 CA ILE A 81 -19.689 11.481 -0.511 1.00 0.00 C ATOM 1258 C ILE A 81 -20.085 12.732 -1.270 1.00 0.00 C ATOM 1259 O ILE A 81 -20.737 12.679 -2.287 1.00 0.00 O ATOM 1260 CB ILE A 81 -20.454 11.515 0.810 1.00 0.00 C ATOM 1261 CG1 ILE A 81 -19.666 10.821 1.907 1.00 0.00 C ATOM 1262 CG2 ILE A 81 -21.812 10.843 0.645 1.00 0.00 C ATOM 1263 CD1 ILE A 81 -19.214 9.438 1.453 1.00 0.00 C ATOM 0 H ILE A 81 -17.946 11.423 0.716 1.00 0.00 H new ATOM 0 HA ILE A 81 -19.925 10.576 -1.071 1.00 0.00 H new ATOM 0 HB ILE A 81 -20.600 12.557 1.094 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.798 11.423 2.175 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -20.281 10.732 2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -22.350 10.872 1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -22.388 11.369 -0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -21.670 9.806 0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.651 8.958 2.254 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -20.087 8.832 1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.581 9.534 0.571 1.00 0.00 H new ATOM 1275 N ASN A 82 -19.715 13.865 -0.756 1.00 0.00 N ATOM 1276 CA ASN A 82 -20.101 15.137 -1.411 1.00 0.00 C ATOM 1277 C ASN A 82 -19.361 15.295 -2.727 1.00 0.00 C ATOM 1278 O ASN A 82 -19.757 16.072 -3.573 1.00 0.00 O ATOM 1279 CB ASN A 82 -19.755 16.307 -0.489 1.00 0.00 C ATOM 1280 CG ASN A 82 -20.031 15.913 0.962 1.00 0.00 C ATOM 1281 OD1 ASN A 82 -19.145 16.186 1.880 1.00 0.00 O flip ATOM 1282 ND2 ASN A 82 -21.065 15.350 1.264 1.00 0.00 N flip ATOM 0 H ASN A 82 -19.159 13.965 0.093 1.00 0.00 H new ATOM 0 HA ASN A 82 -21.173 15.125 -1.607 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -18.707 16.581 -0.609 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -20.346 17.183 -0.758 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -21.758 15.136 0.546 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -21.240 15.091 2.235 1.00 0.00 H new ATOM 1289 N HIS A 83 -18.278 14.592 -2.910 1.00 0.00 N ATOM 1290 CA HIS A 83 -17.532 14.758 -4.177 1.00 0.00 C ATOM 1291 C HIS A 83 -18.060 13.827 -5.274 1.00 0.00 C ATOM 1292 O HIS A 83 -17.881 14.109 -6.442 1.00 0.00 O ATOM 1293 CB HIS A 83 -16.046 14.482 -3.950 1.00 0.00 C ATOM 1294 CG HIS A 83 -15.419 15.655 -3.249 1.00 0.00 C ATOM 1295 ND1 HIS A 83 -15.955 16.652 -2.470 1.00 0.00 N flip ATOM 1296 CD2 HIS A 83 -14.056 15.910 -3.307 1.00 0.00 C flip ATOM 1297 CE1 HIS A 83 -14.943 17.508 -2.052 1.00 0.00 C flip ATOM 1298 NE2 HIS A 83 -13.820 17.020 -2.582 1.00 0.00 N flip ATOM 0 H HIS A 83 -17.887 13.923 -2.247 1.00 0.00 H new ATOM 0 HA HIS A 83 -17.673 15.787 -4.507 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -15.920 13.579 -3.353 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -15.548 14.306 -4.904 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -13.319 15.325 -3.837 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -15.044 18.384 -1.429 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -12.898 17.436 -2.454 1.00 0.00 H new ATOM 1307 N ARG A 84 -18.661 12.704 -4.929 1.00 0.00 N ATOM 1308 CA ARG A 84 -19.124 11.764 -6.000 1.00 0.00 C ATOM 1309 C ARG A 84 -20.583 11.338 -5.820 1.00 0.00 C ATOM 1310 O ARG A 84 -21.287 11.121 -6.786 1.00 0.00 O ATOM 1311 CB ARG A 84 -18.231 10.515 -5.999 1.00 0.00 C ATOM 1312 CG ARG A 84 -16.770 10.895 -5.696 1.00 0.00 C ATOM 1313 CD ARG A 84 -16.186 11.716 -6.854 1.00 0.00 C ATOM 1314 NE ARG A 84 -14.905 11.102 -7.301 1.00 0.00 N ATOM 1315 CZ ARG A 84 -14.361 11.475 -8.428 1.00 0.00 C ATOM 1316 NH1 ARG A 84 -14.943 12.379 -9.167 1.00 0.00 N ATOM 1317 NH2 ARG A 84 -13.233 10.945 -8.814 1.00 0.00 N ATOM 0 H ARG A 84 -18.846 12.406 -3.971 1.00 0.00 H new ATOM 0 HA ARG A 84 -19.053 12.294 -6.950 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -18.590 9.805 -5.254 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -18.290 10.018 -6.967 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -16.720 11.470 -4.771 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -16.176 9.994 -5.543 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -16.894 11.751 -7.682 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -16.017 12.745 -6.536 1.00 0.00 H new ATOM 0 HE ARG A 84 -14.453 10.390 -6.727 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -15.824 12.795 -8.865 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -14.517 12.670 -10.047 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.777 10.240 -8.236 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.808 11.236 -9.694 1.00 0.00 H new ATOM 1331 N HIS A 85 -21.043 11.198 -4.615 1.00 0.00 N ATOM 1332 CA HIS A 85 -22.451 10.764 -4.408 1.00 0.00 C ATOM 1333 C HIS A 85 -23.328 11.993 -4.242 1.00 0.00 C ATOM 1334 O HIS A 85 -24.326 12.160 -4.915 1.00 0.00 O ATOM 1335 CB HIS A 85 -22.533 9.896 -3.152 1.00 0.00 C ATOM 1336 CG HIS A 85 -21.445 8.856 -3.196 1.00 0.00 C ATOM 1337 ND1 HIS A 85 -21.723 7.500 -3.267 1.00 0.00 N ATOM 1338 CD2 HIS A 85 -20.075 8.956 -3.174 1.00 0.00 C ATOM 1339 CE1 HIS A 85 -20.549 6.845 -3.284 1.00 0.00 C ATOM 1340 NE2 HIS A 85 -19.512 7.683 -3.228 1.00 0.00 N ATOM 0 H HIS A 85 -20.508 11.364 -3.763 1.00 0.00 H new ATOM 0 HA HIS A 85 -22.793 10.186 -5.266 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -22.426 10.514 -2.261 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -23.509 9.415 -3.091 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -19.519 9.881 -3.123 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -20.456 5.770 -3.337 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -18.521 7.443 -3.225 1.00 0.00 H new