USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 606 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 35 GLN : amide:sc= -0.0838 K(o=-1.3,f=0.8) USER MOD Set 1.2: A 50 CYS SG : rot 91:sc= -1.24 USER MOD Single : A 10 LYS NZ :NH3+ -167:sc= -0.0139 (180deg=-0.234) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -116:sc= 0.325 (180deg=-0.283) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 23 ASN : amide:sc= -0.379 K(o=-0.38,f=-2.5!) USER MOD Single : A 25 GLN : amide:sc= -0.38 K(o=-0.38,f=-2.1) USER MOD Single : A 26 GLN : amide:sc= -1.9 K(o=-1.9,f=-3.9!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.741 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0171 X(o=-0.017,f=-0.017) USER MOD Single : A 51 MET CE :methyl -177:sc= -2.36! (180deg=-2.62!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 108:sc= -1.2! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -29:sc= 0.193 USER MOD Single : A 90 TYR OH : rot -132:sc= 0.551 USER MOD Single : A 93 MET CE :methyl -168:sc= -9.08! (180deg=-9.45!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 100 MET CE :methyl 133:sc= -0.414 (180deg=-1.8!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N ILE A 9 -6.370 8.296 9.535 1.00 0.00 N ATOM 81 CA ILE A 9 -7.714 7.791 9.311 1.00 0.00 C ATOM 82 C ILE A 9 -7.709 6.267 9.439 1.00 0.00 C ATOM 83 O ILE A 9 -8.373 5.711 10.313 1.00 0.00 O ATOM 84 CB ILE A 9 -8.259 8.295 7.972 1.00 0.00 C ATOM 85 CG1 ILE A 9 -8.523 9.801 8.019 1.00 0.00 C ATOM 86 CG2 ILE A 9 -9.502 7.507 7.556 1.00 0.00 C ATOM 87 CD1 ILE A 9 -8.301 10.440 6.647 1.00 0.00 C ATOM 0 HA ILE A 9 -8.397 8.172 10.070 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.500 8.126 7.208 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.546 9.984 8.348 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.864 10.267 8.752 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.870 7.884 6.602 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.247 6.452 7.455 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.276 7.622 8.314 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.495 11.511 6.709 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.271 10.276 6.332 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.979 9.989 5.922 1.00 0.00 H new ATOM 99 N LYS A 10 -6.953 5.633 8.554 1.00 0.00 N ATOM 100 CA LYS A 10 -6.853 4.183 8.557 1.00 0.00 C ATOM 101 C LYS A 10 -5.378 3.778 8.562 1.00 0.00 C ATOM 102 O LYS A 10 -4.594 4.264 7.748 1.00 0.00 O ATOM 103 CB LYS A 10 -7.650 3.589 7.394 1.00 0.00 C ATOM 104 CG LYS A 10 -8.122 2.171 7.721 1.00 0.00 C ATOM 105 CD LYS A 10 -7.037 1.143 7.397 1.00 0.00 C ATOM 106 CE LYS A 10 -7.541 -0.281 7.637 1.00 0.00 C ATOM 107 NZ LYS A 10 -7.886 -0.475 9.063 1.00 0.00 N ATOM 0 H LYS A 10 -6.404 6.097 7.830 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.300 3.772 9.462 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.511 4.222 7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.032 3.573 6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.386 2.106 8.777 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.024 1.944 7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.726 1.252 6.358 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.158 1.330 8.014 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.416 -0.473 7.016 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.776 -0.999 7.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.013 -1.489 9.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.119 -0.104 9.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.768 0.031 9.279 1.00 0.00 H new ATOM 121 N MET A 11 -5.043 2.893 9.489 1.00 0.00 N ATOM 122 CA MET A 11 -3.676 2.417 9.611 1.00 0.00 C ATOM 123 C MET A 11 -3.629 0.888 9.656 1.00 0.00 C ATOM 124 O MET A 11 -4.600 0.245 10.053 1.00 0.00 O ATOM 125 CB MET A 11 -3.049 2.985 10.885 1.00 0.00 C ATOM 126 CG MET A 11 -3.279 4.494 10.984 1.00 0.00 C ATOM 127 SD MET A 11 -3.857 4.918 12.619 1.00 0.00 S ATOM 128 CE MET A 11 -5.618 4.763 12.376 1.00 0.00 C ATOM 0 H MET A 11 -5.695 2.493 10.163 1.00 0.00 H new ATOM 0 HA MET A 11 -3.115 2.753 8.739 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.477 2.490 11.757 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.979 2.775 10.893 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.353 5.026 10.767 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.009 4.809 10.238 1.00 0.00 H new ATOM 0 HE1 MET A 11 -6.136 4.995 13.307 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.940 5.456 11.599 1.00 0.00 H new ATOM 0 HE3 MET A 11 -5.855 3.743 12.074 1.00 0.00 H new ATOM 138 N GLY A 12 -2.491 0.350 9.244 1.00 0.00 N ATOM 139 CA GLY A 12 -2.305 -1.091 9.233 1.00 0.00 C ATOM 140 C GLY A 12 -1.002 -1.470 8.526 1.00 0.00 C ATOM 141 O GLY A 12 -0.446 -0.673 7.772 1.00 0.00 O ATOM 0 H GLY A 12 -1.688 0.886 8.915 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.291 -1.467 10.256 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.147 -1.566 8.730 1.00 0.00 H new ATOM 145 N TRP A 13 -0.553 -2.688 8.794 1.00 0.00 N ATOM 146 CA TRP A 13 0.674 -3.182 8.193 1.00 0.00 C ATOM 147 C TRP A 13 0.306 -3.905 6.895 1.00 0.00 C ATOM 148 O TRP A 13 -0.331 -4.957 6.925 1.00 0.00 O ATOM 149 CB TRP A 13 1.446 -4.068 9.173 1.00 0.00 C ATOM 150 CG TRP A 13 2.306 -3.290 10.170 1.00 0.00 C ATOM 151 CD1 TRP A 13 1.906 -2.391 11.080 1.00 0.00 C ATOM 152 CD2 TRP A 13 3.739 -3.378 10.322 1.00 0.00 C ATOM 153 NE1 TRP A 13 2.971 -1.896 11.805 1.00 0.00 N ATOM 154 CE2 TRP A 13 4.121 -2.515 11.329 1.00 0.00 C ATOM 155 CE3 TRP A 13 4.680 -4.162 9.632 1.00 0.00 C ATOM 156 CZ2 TRP A 13 5.450 -2.353 11.737 1.00 0.00 C ATOM 157 CZ3 TRP A 13 6.005 -3.988 10.051 1.00 0.00 C ATOM 158 CH2 TRP A 13 6.406 -3.123 11.063 1.00 0.00 C ATOM 0 H TRP A 13 -1.017 -3.347 9.419 1.00 0.00 H new ATOM 0 HA TRP A 13 1.346 -2.358 7.954 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.737 -4.685 9.725 1.00 0.00 H new ATOM 0 HB3 TRP A 13 2.086 -4.745 8.608 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.879 -2.091 11.227 1.00 0.00 H new ATOM 0 HE1 TRP A 13 2.923 -1.204 12.552 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.403 -4.844 8.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 5.723 -1.671 12.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.769 -4.566 9.553 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.450 -3.045 11.328 1.00 0.00 H new ATOM 169 N LEU A 14 0.725 -3.313 5.787 1.00 0.00 N ATOM 170 CA LEU A 14 0.448 -3.887 4.481 1.00 0.00 C ATOM 171 C LEU A 14 1.753 -4.392 3.863 1.00 0.00 C ATOM 172 O LEU A 14 2.834 -3.926 4.220 1.00 0.00 O ATOM 173 CB LEU A 14 -0.300 -2.883 3.602 1.00 0.00 C ATOM 174 CG LEU A 14 -1.815 -2.811 3.805 1.00 0.00 C ATOM 175 CD1 LEU A 14 -2.389 -1.528 3.201 1.00 0.00 C ATOM 176 CD2 LEU A 14 -2.502 -4.062 3.254 1.00 0.00 C ATOM 0 H LEU A 14 1.254 -2.441 5.766 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.214 -4.748 4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.118 -1.892 3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.105 -3.128 2.558 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.015 -2.780 4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.467 -1.502 3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.931 -0.663 3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.178 -1.503 2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.578 -3.985 3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.296 -4.150 2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.122 -4.943 3.771 1.00 0.00 H new ATOM 188 N LYS A 15 1.610 -5.338 2.947 1.00 0.00 N ATOM 189 CA LYS A 15 2.764 -5.912 2.277 1.00 0.00 C ATOM 190 C LYS A 15 2.962 -5.218 0.928 1.00 0.00 C ATOM 191 O LYS A 15 2.184 -5.426 -0.002 1.00 0.00 O ATOM 192 CB LYS A 15 2.623 -7.432 2.171 1.00 0.00 C ATOM 193 CG LYS A 15 3.592 -8.140 3.120 1.00 0.00 C ATOM 194 CD LYS A 15 3.647 -9.641 2.828 1.00 0.00 C ATOM 195 CE LYS A 15 3.091 -10.449 4.002 1.00 0.00 C ATOM 196 NZ LYS A 15 3.748 -11.772 4.078 1.00 0.00 N ATOM 0 H LYS A 15 0.712 -5.722 2.653 1.00 0.00 H new ATOM 0 HA LYS A 15 3.668 -5.739 2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.599 -7.723 2.407 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.816 -7.748 1.146 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.588 -7.709 3.017 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.280 -7.978 4.152 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.074 -9.861 1.927 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.677 -9.939 2.632 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.248 -9.904 4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.015 -10.577 3.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.359 -12.307 4.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.576 -12.296 3.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.772 -11.644 4.211 1.00 0.00 H new ATOM 210 N LYS A 16 4.007 -4.406 0.864 1.00 0.00 N ATOM 211 CA LYS A 16 4.317 -3.680 -0.356 1.00 0.00 C ATOM 212 C LYS A 16 5.443 -4.400 -1.101 1.00 0.00 C ATOM 213 O LYS A 16 6.488 -4.692 -0.522 1.00 0.00 O ATOM 214 CB LYS A 16 4.626 -2.214 -0.043 1.00 0.00 C ATOM 215 CG LYS A 16 5.096 -1.473 -1.297 1.00 0.00 C ATOM 216 CD LYS A 16 5.184 0.033 -1.043 1.00 0.00 C ATOM 217 CE LYS A 16 6.035 0.720 -2.113 1.00 0.00 C ATOM 218 NZ LYS A 16 5.653 0.247 -3.462 1.00 0.00 N ATOM 0 H LYS A 16 4.650 -4.235 1.637 1.00 0.00 H new ATOM 0 HA LYS A 16 3.453 -3.665 -1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.736 -1.729 0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.395 -2.157 0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.071 -1.851 -1.603 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.406 -1.667 -2.118 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.183 0.464 -1.038 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.615 0.215 -0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.906 1.801 -2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.090 0.514 -1.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.455 -0.254 -3.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.842 -0.399 -3.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.393 1.061 -4.055 1.00 0.00 H new ATOM 232 N GLN A 17 5.192 -4.665 -2.375 1.00 0.00 N ATOM 233 CA GLN A 17 6.171 -5.345 -3.205 1.00 0.00 C ATOM 234 C GLN A 17 7.406 -4.463 -3.400 1.00 0.00 C ATOM 235 O GLN A 17 7.296 -3.240 -3.465 1.00 0.00 O ATOM 236 CB GLN A 17 5.565 -5.745 -4.552 1.00 0.00 C ATOM 237 CG GLN A 17 6.394 -6.843 -5.222 1.00 0.00 C ATOM 238 CD GLN A 17 5.634 -8.171 -5.238 1.00 0.00 C ATOM 239 OE1 GLN A 17 5.903 -9.079 -4.469 1.00 0.00 O ATOM 240 NE2 GLN A 17 4.672 -8.232 -6.154 1.00 0.00 N ATOM 0 H GLN A 17 4.324 -4.421 -2.852 1.00 0.00 H new ATOM 0 HA GLN A 17 6.478 -6.259 -2.696 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.543 -6.094 -4.406 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.514 -4.874 -5.205 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.639 -6.548 -6.242 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.338 -6.966 -4.691 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.500 -7.435 -6.766 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.107 -9.076 -6.244 1.00 0.00 H new ATOM 341 N ASN A 23 9.196 -9.589 -4.019 1.00 0.00 N ATOM 342 CA ASN A 23 9.153 -9.886 -2.597 1.00 0.00 C ATOM 343 C ASN A 23 8.158 -8.945 -1.914 1.00 0.00 C ATOM 344 O ASN A 23 8.074 -7.768 -2.260 1.00 0.00 O ATOM 345 CB ASN A 23 10.523 -9.678 -1.948 1.00 0.00 C ATOM 346 CG ASN A 23 11.148 -11.015 -1.546 1.00 0.00 C ATOM 347 OD1 ASN A 23 10.486 -12.035 -1.448 1.00 0.00 O ATOM 348 ND2 ASN A 23 12.457 -10.953 -1.320 1.00 0.00 N ATOM 0 HA ASN A 23 8.853 -10.927 -2.479 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.183 -9.158 -2.642 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.420 -9.042 -1.069 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.968 -11.793 -1.046 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.950 -10.066 -1.420 1.00 0.00 H new ATOM 355 N TRP A 24 7.430 -9.500 -0.956 1.00 0.00 N ATOM 356 CA TRP A 24 6.444 -8.725 -0.222 1.00 0.00 C ATOM 357 C TRP A 24 7.109 -8.202 1.054 1.00 0.00 C ATOM 358 O TRP A 24 7.690 -8.973 1.816 1.00 0.00 O ATOM 359 CB TRP A 24 5.189 -9.555 0.055 1.00 0.00 C ATOM 360 CG TRP A 24 4.459 -10.018 -1.207 1.00 0.00 C ATOM 361 CD1 TRP A 24 4.621 -11.165 -1.880 1.00 0.00 C ATOM 362 CD2 TRP A 24 3.437 -9.293 -1.924 1.00 0.00 C ATOM 363 NE1 TRP A 24 3.782 -11.232 -2.974 1.00 0.00 N ATOM 364 CE2 TRP A 24 3.040 -10.058 -3.001 1.00 0.00 C ATOM 365 CE3 TRP A 24 2.868 -8.033 -1.670 1.00 0.00 C ATOM 366 CZ2 TRP A 24 2.057 -9.649 -3.911 1.00 0.00 C ATOM 367 CZ3 TRP A 24 1.887 -7.638 -2.588 1.00 0.00 C ATOM 368 CH2 TRP A 24 1.476 -8.397 -3.678 1.00 0.00 C ATOM 0 H TRP A 24 7.503 -10.477 -0.671 1.00 0.00 H new ATOM 0 HA TRP A 24 6.105 -7.874 -0.812 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.467 -10.430 0.643 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.503 -8.966 0.664 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.320 -11.940 -1.602 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.719 -12.002 -3.640 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.164 -7.418 -0.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.763 -10.266 -4.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.417 -6.677 -2.439 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.711 -8.022 -4.342 1.00 0.00 H new ATOM 379 N GLN A 25 7.000 -6.896 1.247 1.00 0.00 N ATOM 380 CA GLN A 25 7.583 -6.262 2.417 1.00 0.00 C ATOM 381 C GLN A 25 6.482 -5.754 3.350 1.00 0.00 C ATOM 382 O GLN A 25 5.694 -4.888 2.972 1.00 0.00 O ATOM 383 CB GLN A 25 8.526 -5.126 2.012 1.00 0.00 C ATOM 384 CG GLN A 25 9.589 -4.887 3.086 1.00 0.00 C ATOM 385 CD GLN A 25 10.600 -6.035 3.122 1.00 0.00 C ATOM 386 OE1 GLN A 25 10.522 -6.989 2.366 1.00 0.00 O ATOM 387 NE2 GLN A 25 11.550 -5.890 4.041 1.00 0.00 N ATOM 0 H GLN A 25 6.517 -6.260 0.613 1.00 0.00 H new ATOM 0 HA GLN A 25 8.172 -7.006 2.954 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.009 -5.369 1.065 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.953 -4.212 1.852 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.106 -3.948 2.888 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.111 -4.788 4.060 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.557 -5.066 4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.272 -6.603 4.145 1.00 0.00 H new ATOM 396 N GLN A 26 6.462 -6.315 4.550 1.00 0.00 N ATOM 397 CA GLN A 26 5.470 -5.930 5.539 1.00 0.00 C ATOM 398 C GLN A 26 5.828 -4.573 6.149 1.00 0.00 C ATOM 399 O GLN A 26 6.686 -4.489 7.027 1.00 0.00 O ATOM 400 CB GLN A 26 5.335 -7.000 6.625 1.00 0.00 C ATOM 401 CG GLN A 26 3.964 -6.925 7.300 1.00 0.00 C ATOM 402 CD GLN A 26 3.145 -8.187 7.020 1.00 0.00 C ATOM 403 OE1 GLN A 26 2.298 -8.227 6.143 1.00 0.00 O ATOM 404 NE2 GLN A 26 3.444 -9.212 7.812 1.00 0.00 N ATOM 0 H GLN A 26 7.117 -7.033 4.860 1.00 0.00 H new ATOM 0 HA GLN A 26 4.505 -5.840 5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.475 -7.988 6.187 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.119 -6.868 7.370 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.091 -6.800 8.375 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.424 -6.049 6.939 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.165 -9.111 8.527 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.953 -10.100 7.705 1.00 0.00 H new ATOM 413 N ARG A 27 5.152 -3.544 5.660 1.00 0.00 N ATOM 414 CA ARG A 27 5.388 -2.195 6.146 1.00 0.00 C ATOM 415 C ARG A 27 4.126 -1.642 6.812 1.00 0.00 C ATOM 416 O ARG A 27 3.026 -2.137 6.571 1.00 0.00 O ATOM 417 CB ARG A 27 5.804 -1.263 5.006 1.00 0.00 C ATOM 418 CG ARG A 27 7.123 -1.720 4.379 1.00 0.00 C ATOM 419 CD ARG A 27 8.218 -0.669 4.580 1.00 0.00 C ATOM 420 NE ARG A 27 9.478 -1.125 3.952 1.00 0.00 N ATOM 421 CZ ARG A 27 10.347 -1.963 4.533 1.00 0.00 C ATOM 422 NH1 ARG A 27 10.098 -2.443 5.759 1.00 0.00 N ATOM 423 NH2 ARG A 27 11.465 -2.323 3.887 1.00 0.00 N ATOM 0 H ARG A 27 4.441 -3.617 4.932 1.00 0.00 H new ATOM 0 HA ARG A 27 6.197 -2.243 6.875 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.024 -1.242 4.245 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.909 -0.246 5.383 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.434 -2.665 4.825 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.980 -1.902 3.314 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.907 0.280 4.144 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.375 -0.494 5.644 1.00 0.00 H new ATOM 0 HE ARG A 27 9.699 -0.780 3.018 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.247 -2.170 6.250 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.760 -3.081 6.201 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.654 -1.959 2.953 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.127 -2.961 4.329 1.00 0.00 H new ATOM 437 N TYR A 28 4.327 -0.624 7.635 1.00 0.00 N ATOM 438 CA TYR A 28 3.219 0.001 8.337 1.00 0.00 C ATOM 439 C TYR A 28 2.661 1.182 7.540 1.00 0.00 C ATOM 440 O TYR A 28 3.250 2.262 7.530 1.00 0.00 O ATOM 441 CB TYR A 28 3.794 0.518 9.657 1.00 0.00 C ATOM 442 CG TYR A 28 2.744 1.094 10.610 1.00 0.00 C ATOM 443 CD1 TYR A 28 1.402 0.890 10.362 1.00 0.00 C ATOM 444 CD2 TYR A 28 3.140 1.817 11.717 1.00 0.00 C ATOM 445 CE1 TYR A 28 0.414 1.432 11.259 1.00 0.00 C ATOM 446 CE2 TYR A 28 2.152 2.358 12.614 1.00 0.00 C ATOM 447 CZ TYR A 28 0.838 2.139 12.341 1.00 0.00 C ATOM 448 OH TYR A 28 -0.095 2.651 13.188 1.00 0.00 O ATOM 0 H TYR A 28 5.241 -0.216 7.832 1.00 0.00 H new ATOM 0 HA TYR A 28 2.408 -0.712 8.485 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.316 -0.297 10.158 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.536 1.287 9.442 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.093 0.324 9.496 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.190 1.977 11.910 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.640 1.281 11.077 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.448 2.925 13.484 1.00 0.00 H new ATOM 0 HH TYR A 28 0.352 3.131 13.916 1.00 0.00 H new ATOM 458 N PHE A 29 1.533 0.937 6.891 1.00 0.00 N ATOM 459 CA PHE A 29 0.889 1.967 6.093 1.00 0.00 C ATOM 460 C PHE A 29 -0.079 2.793 6.942 1.00 0.00 C ATOM 461 O PHE A 29 -0.769 2.254 7.805 1.00 0.00 O ATOM 462 CB PHE A 29 0.101 1.253 4.992 1.00 0.00 C ATOM 463 CG PHE A 29 0.918 0.960 3.732 1.00 0.00 C ATOM 464 CD1 PHE A 29 1.696 -0.154 3.670 1.00 0.00 C ATOM 465 CD2 PHE A 29 0.867 1.813 2.675 1.00 0.00 C ATOM 466 CE1 PHE A 29 2.455 -0.426 2.501 1.00 0.00 C ATOM 467 CE2 PHE A 29 1.625 1.541 1.505 1.00 0.00 C ATOM 468 CZ PHE A 29 2.403 0.427 1.443 1.00 0.00 C ATOM 0 H PHE A 29 1.048 0.040 6.901 1.00 0.00 H new ATOM 0 HA PHE A 29 1.639 2.643 5.683 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.287 0.314 5.388 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.760 1.864 4.721 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.737 -0.832 4.510 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.250 2.698 2.725 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.073 -1.310 2.452 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.584 2.218 0.665 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.979 0.220 0.554 1.00 0.00 H new ATOM 478 N VAL A 30 -0.097 4.090 6.667 1.00 0.00 N ATOM 479 CA VAL A 30 -0.969 4.996 7.395 1.00 0.00 C ATOM 480 C VAL A 30 -1.642 5.952 6.408 1.00 0.00 C ATOM 481 O VAL A 30 -1.005 6.436 5.474 1.00 0.00 O ATOM 482 CB VAL A 30 -0.176 5.722 8.484 1.00 0.00 C ATOM 483 CG1 VAL A 30 -1.016 6.827 9.129 1.00 0.00 C ATOM 484 CG2 VAL A 30 0.337 4.738 9.537 1.00 0.00 C ATOM 0 H VAL A 30 0.478 4.534 5.951 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.759 4.442 7.901 1.00 0.00 H new ATOM 0 HB VAL A 30 0.689 6.190 8.013 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.429 7.327 9.899 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.310 7.551 8.369 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.908 6.391 9.578 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.897 5.280 10.299 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.508 4.229 10.001 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.988 4.003 9.062 1.00 0.00 H new ATOM 494 N LEU A 31 -2.922 6.195 6.649 1.00 0.00 N ATOM 495 CA LEU A 31 -3.689 7.084 5.793 1.00 0.00 C ATOM 496 C LEU A 31 -3.923 8.409 6.520 1.00 0.00 C ATOM 497 O LEU A 31 -4.501 8.431 7.606 1.00 0.00 O ATOM 498 CB LEU A 31 -4.977 6.401 5.327 1.00 0.00 C ATOM 499 CG LEU A 31 -5.348 6.600 3.856 1.00 0.00 C ATOM 500 CD1 LEU A 31 -6.134 5.401 3.323 1.00 0.00 C ATOM 501 CD2 LEU A 31 -6.101 7.916 3.654 1.00 0.00 C ATOM 0 H LEU A 31 -3.447 5.792 7.425 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.131 7.313 4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.887 5.331 5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.801 6.765 5.941 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.427 6.665 3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.386 5.567 2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.527 4.500 3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.050 5.280 3.901 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.353 8.033 2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.016 7.907 4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.472 8.748 3.971 1.00 0.00 H new ATOM 513 N ARG A 32 -3.464 9.482 5.893 1.00 0.00 N ATOM 514 CA ARG A 32 -3.616 10.807 6.468 1.00 0.00 C ATOM 515 C ARG A 32 -3.899 11.833 5.368 1.00 0.00 C ATOM 516 O ARG A 32 -3.179 11.896 4.373 1.00 0.00 O ATOM 517 CB ARG A 32 -2.359 11.224 7.233 1.00 0.00 C ATOM 518 CG ARG A 32 -2.474 10.863 8.715 1.00 0.00 C ATOM 519 CD ARG A 32 -1.139 11.066 9.434 1.00 0.00 C ATOM 520 NE ARG A 32 -0.994 12.481 9.842 1.00 0.00 N ATOM 521 CZ ARG A 32 -0.509 13.446 9.048 1.00 0.00 C ATOM 522 NH1 ARG A 32 -0.120 13.154 7.799 1.00 0.00 N ATOM 523 NH2 ARG A 32 -0.414 14.703 9.502 1.00 0.00 N ATOM 0 H ARG A 32 -2.986 9.460 4.992 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.455 10.772 7.163 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.487 10.732 6.802 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.204 12.298 7.128 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.241 11.479 9.184 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.792 9.825 8.817 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.086 10.419 10.310 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.316 10.782 8.778 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.281 12.738 10.786 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.193 12.197 7.453 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.249 13.888 7.195 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.711 14.926 10.452 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.045 15.437 8.898 1.00 0.00 H new ATOM 537 N ALA A 33 -4.950 12.611 5.585 1.00 0.00 N ATOM 538 CA ALA A 33 -5.337 13.631 4.625 1.00 0.00 C ATOM 539 C ALA A 33 -5.572 12.978 3.261 1.00 0.00 C ATOM 540 O ALA A 33 -6.129 11.884 3.180 1.00 0.00 O ATOM 541 CB ALA A 33 -4.261 14.718 4.573 1.00 0.00 C ATOM 0 H ALA A 33 -5.545 12.555 6.411 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.269 14.109 4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.551 15.483 3.853 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.153 15.170 5.559 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.312 14.276 4.270 1.00 0.00 H new ATOM 547 N GLN A 34 -5.136 13.676 2.223 1.00 0.00 N ATOM 548 CA GLN A 34 -5.293 13.178 0.867 1.00 0.00 C ATOM 549 C GLN A 34 -3.973 12.594 0.361 1.00 0.00 C ATOM 550 O GLN A 34 -3.687 12.639 -0.835 1.00 0.00 O ATOM 551 CB GLN A 34 -5.798 14.280 -0.067 1.00 0.00 C ATOM 552 CG GLN A 34 -7.111 14.875 0.447 1.00 0.00 C ATOM 553 CD GLN A 34 -7.375 16.245 -0.180 1.00 0.00 C ATOM 554 OE1 GLN A 34 -8.126 16.387 -1.130 1.00 0.00 O ATOM 555 NE2 GLN A 34 -6.716 17.243 0.403 1.00 0.00 N ATOM 0 H GLN A 34 -4.674 14.583 2.294 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.040 12.384 0.876 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.046 15.065 -0.149 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.946 13.874 -1.068 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.935 14.200 0.216 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.071 14.969 1.532 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.102 17.055 1.196 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.825 18.196 0.057 1.00 0.00 H new ATOM 564 N GLN A 35 -3.202 12.058 1.296 1.00 0.00 N ATOM 565 CA GLN A 35 -1.919 11.465 0.960 1.00 0.00 C ATOM 566 C GLN A 35 -1.712 10.168 1.745 1.00 0.00 C ATOM 567 O GLN A 35 -2.032 10.098 2.930 1.00 0.00 O ATOM 568 CB GLN A 35 -0.776 12.449 1.215 1.00 0.00 C ATOM 569 CG GLN A 35 -0.406 13.203 -0.064 1.00 0.00 C ATOM 570 CD GLN A 35 0.198 14.571 0.262 1.00 0.00 C ATOM 571 OE1 GLN A 35 1.380 14.815 0.084 1.00 0.00 O ATOM 572 NE2 GLN A 35 -0.677 15.447 0.747 1.00 0.00 N ATOM 0 H GLN A 35 -3.442 12.022 2.287 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.918 11.227 -0.104 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.069 13.159 1.988 1.00 0.00 H new ATOM 0 HB3 GLN A 35 0.095 11.911 1.589 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.306 12.616 -0.644 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.293 13.331 -0.684 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.653 15.178 0.871 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.372 16.388 0.995 1.00 0.00 H new ATOM 581 N LEU A 36 -1.176 9.173 1.052 1.00 0.00 N ATOM 582 CA LEU A 36 -0.922 7.883 1.669 1.00 0.00 C ATOM 583 C LEU A 36 0.557 7.787 2.050 1.00 0.00 C ATOM 584 O LEU A 36 1.431 8.064 1.231 1.00 0.00 O ATOM 585 CB LEU A 36 -1.397 6.750 0.757 1.00 0.00 C ATOM 586 CG LEU A 36 -1.195 5.330 1.291 1.00 0.00 C ATOM 587 CD1 LEU A 36 0.291 5.031 1.502 1.00 0.00 C ATOM 588 CD2 LEU A 36 -2.012 5.100 2.563 1.00 0.00 C ATOM 0 H LEU A 36 -0.911 9.235 0.069 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.496 7.782 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.458 6.893 0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.877 6.836 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.562 4.628 0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.408 4.016 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.820 5.126 0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.706 5.737 2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.850 4.083 2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.699 5.809 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.071 5.244 2.347 1.00 0.00 H new ATOM 600 N TYR A 37 0.790 7.394 3.294 1.00 0.00 N ATOM 601 CA TYR A 37 2.148 7.258 3.793 1.00 0.00 C ATOM 602 C TYR A 37 2.406 5.838 4.301 1.00 0.00 C ATOM 603 O TYR A 37 1.466 5.089 4.565 1.00 0.00 O ATOM 604 CB TYR A 37 2.266 8.235 4.965 1.00 0.00 C ATOM 605 CG TYR A 37 1.710 9.630 4.670 1.00 0.00 C ATOM 606 CD1 TYR A 37 2.503 10.571 4.045 1.00 0.00 C ATOM 607 CD2 TYR A 37 0.416 9.947 5.030 1.00 0.00 C ATOM 608 CE1 TYR A 37 1.979 11.883 3.769 1.00 0.00 C ATOM 609 CE2 TYR A 37 -0.107 11.260 4.754 1.00 0.00 C ATOM 610 CZ TYR A 37 0.700 12.163 4.136 1.00 0.00 C ATOM 611 OH TYR A 37 0.206 13.403 3.875 1.00 0.00 O ATOM 0 H TYR A 37 0.062 7.166 3.971 1.00 0.00 H new ATOM 0 HA TYR A 37 2.870 7.463 3.002 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.741 7.820 5.825 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.315 8.325 5.246 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.516 10.323 3.763 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.204 9.210 5.519 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.589 12.629 3.281 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.117 11.522 5.032 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.720 13.460 4.191 1.00 0.00 H new ATOM 621 N TYR A 38 3.684 5.510 4.421 1.00 0.00 N ATOM 622 CA TYR A 38 4.077 4.193 4.893 1.00 0.00 C ATOM 623 C TYR A 38 5.455 4.237 5.556 1.00 0.00 C ATOM 624 O TYR A 38 6.395 4.810 5.006 1.00 0.00 O ATOM 625 CB TYR A 38 4.151 3.305 3.649 1.00 0.00 C ATOM 626 CG TYR A 38 5.537 3.253 3.003 1.00 0.00 C ATOM 627 CD1 TYR A 38 6.571 2.597 3.640 1.00 0.00 C ATOM 628 CD2 TYR A 38 5.753 3.862 1.783 1.00 0.00 C ATOM 629 CE1 TYR A 38 7.875 2.548 3.032 1.00 0.00 C ATOM 630 CE2 TYR A 38 7.058 3.812 1.176 1.00 0.00 C ATOM 631 CZ TYR A 38 8.054 3.158 1.830 1.00 0.00 C ATOM 632 OH TYR A 38 9.286 3.111 1.256 1.00 0.00 O ATOM 0 H TYR A 38 4.461 6.133 4.200 1.00 0.00 H new ATOM 0 HA TYR A 38 3.366 3.821 5.631 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.849 2.293 3.919 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.432 3.667 2.914 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.402 2.121 4.594 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.944 4.375 1.284 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.693 2.038 3.520 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.241 4.284 0.222 1.00 0.00 H new ATOM 0 HH TYR A 38 9.266 3.587 0.400 1.00 0.00 H new ATOM 642 N TYR A 39 5.533 3.624 6.728 1.00 0.00 N ATOM 643 CA TYR A 39 6.780 3.586 7.472 1.00 0.00 C ATOM 644 C TYR A 39 7.261 2.147 7.663 1.00 0.00 C ATOM 645 O TYR A 39 6.522 1.201 7.395 1.00 0.00 O ATOM 646 CB TYR A 39 6.473 4.195 8.841 1.00 0.00 C ATOM 647 CG TYR A 39 5.719 5.525 8.777 1.00 0.00 C ATOM 648 CD1 TYR A 39 4.379 5.543 8.446 1.00 0.00 C ATOM 649 CD2 TYR A 39 6.378 6.706 9.048 1.00 0.00 C ATOM 650 CE1 TYR A 39 3.669 6.794 8.385 1.00 0.00 C ATOM 651 CE2 TYR A 39 5.669 7.957 8.987 1.00 0.00 C ATOM 652 CZ TYR A 39 4.349 7.940 8.659 1.00 0.00 C ATOM 653 OH TYR A 39 3.678 9.122 8.601 1.00 0.00 O ATOM 0 H TYR A 39 4.752 3.149 7.181 1.00 0.00 H new ATOM 0 HA TYR A 39 7.561 4.128 6.939 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.884 3.483 9.420 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.409 4.346 9.378 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.863 4.618 8.233 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.427 6.692 9.306 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.620 6.822 8.128 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.174 8.888 9.197 1.00 0.00 H new ATOM 0 HH TYR A 39 4.289 9.856 8.821 1.00 0.00 H new ATOM 789 N GLN A 48 8.015 7.337 4.743 1.00 0.00 N ATOM 790 CA GLN A 48 8.970 6.834 3.771 1.00 0.00 C ATOM 791 C GLN A 48 8.509 7.168 2.351 1.00 0.00 C ATOM 792 O GLN A 48 9.298 7.636 1.532 1.00 0.00 O ATOM 793 CB GLN A 48 9.181 5.328 3.939 1.00 0.00 C ATOM 794 CG GLN A 48 9.757 5.006 5.319 1.00 0.00 C ATOM 795 CD GLN A 48 11.256 5.310 5.373 1.00 0.00 C ATOM 796 OE1 GLN A 48 11.700 6.264 5.990 1.00 0.00 O ATOM 797 NE2 GLN A 48 12.007 4.448 4.694 1.00 0.00 N ATOM 0 HA GLN A 48 9.928 7.324 3.945 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.233 4.807 3.806 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.856 4.963 3.165 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.237 5.589 6.079 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.587 3.955 5.552 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.570 3.670 4.199 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.020 4.564 4.668 1.00 0.00 H new ATOM 806 N GLY A 49 7.232 6.914 2.103 1.00 0.00 N ATOM 807 CA GLY A 49 6.656 7.182 0.796 1.00 0.00 C ATOM 808 C GLY A 49 5.431 8.091 0.912 1.00 0.00 C ATOM 809 O GLY A 49 4.909 8.297 2.007 1.00 0.00 O ATOM 0 H GLY A 49 6.580 6.526 2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.402 7.652 0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.373 6.243 0.320 1.00 0.00 H new ATOM 813 N CYS A 50 5.008 8.610 -0.231 1.00 0.00 N ATOM 814 CA CYS A 50 3.854 9.492 -0.271 1.00 0.00 C ATOM 815 C CYS A 50 3.159 9.312 -1.622 1.00 0.00 C ATOM 816 O CYS A 50 3.734 9.617 -2.665 1.00 0.00 O ATOM 817 CB CYS A 50 4.247 10.949 -0.021 1.00 0.00 C ATOM 818 SG CYS A 50 2.752 12.004 0.013 1.00 0.00 S ATOM 0 H CYS A 50 5.444 8.437 -1.137 1.00 0.00 H new ATOM 0 HA CYS A 50 3.163 9.228 0.530 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.783 11.033 0.925 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.925 11.291 -0.803 1.00 0.00 H new ATOM 0 HG CYS A 50 2.313 12.095 1.233 1.00 0.00 H new ATOM 824 N MET A 51 1.931 8.818 -1.558 1.00 0.00 N ATOM 825 CA MET A 51 1.151 8.594 -2.764 1.00 0.00 C ATOM 826 C MET A 51 -0.102 9.472 -2.776 1.00 0.00 C ATOM 827 O MET A 51 -0.915 9.413 -1.855 1.00 0.00 O ATOM 828 CB MET A 51 0.745 7.122 -2.843 1.00 0.00 C ATOM 829 CG MET A 51 0.617 6.666 -4.298 1.00 0.00 C ATOM 830 SD MET A 51 2.151 5.936 -4.846 1.00 0.00 S ATOM 831 CE MET A 51 1.518 4.604 -5.852 1.00 0.00 C ATOM 0 H MET A 51 1.457 8.567 -0.690 1.00 0.00 H new ATOM 0 HA MET A 51 1.764 8.857 -3.626 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.486 6.509 -2.330 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.204 6.975 -2.327 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.193 5.943 -4.391 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.361 7.515 -4.933 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.348 4.009 -6.232 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.864 3.973 -5.250 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.954 5.016 -6.689 1.00 0.00 H new ATOM 841 N TYR A 52 -0.220 10.265 -3.831 1.00 0.00 N ATOM 842 CA TYR A 52 -1.360 11.153 -3.976 1.00 0.00 C ATOM 843 C TYR A 52 -2.640 10.362 -4.252 1.00 0.00 C ATOM 844 O TYR A 52 -2.845 9.873 -5.362 1.00 0.00 O ATOM 845 CB TYR A 52 -1.053 12.041 -5.184 1.00 0.00 C ATOM 846 CG TYR A 52 -1.693 13.429 -5.115 1.00 0.00 C ATOM 847 CD1 TYR A 52 -1.699 14.127 -3.925 1.00 0.00 C ATOM 848 CD2 TYR A 52 -2.263 13.982 -6.243 1.00 0.00 C ATOM 849 CE1 TYR A 52 -2.301 15.434 -3.860 1.00 0.00 C ATOM 850 CE2 TYR A 52 -2.865 15.289 -6.179 1.00 0.00 C ATOM 851 CZ TYR A 52 -2.854 15.950 -4.990 1.00 0.00 C ATOM 852 OH TYR A 52 -3.423 17.184 -4.929 1.00 0.00 O ATOM 0 H TYR A 52 0.456 10.311 -4.594 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.516 11.728 -3.063 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.027 12.154 -5.273 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.397 11.538 -6.088 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.252 13.694 -3.042 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.258 13.435 -7.174 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.313 15.991 -2.935 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.315 15.734 -7.054 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.777 17.425 -5.811 1.00 0.00 H new ATOM 862 N LEU A 53 -3.468 10.259 -3.223 1.00 0.00 N ATOM 863 CA LEU A 53 -4.722 9.535 -3.340 1.00 0.00 C ATOM 864 C LEU A 53 -5.550 10.139 -4.476 1.00 0.00 C ATOM 865 O LEU A 53 -6.129 9.412 -5.282 1.00 0.00 O ATOM 866 CB LEU A 53 -5.452 9.506 -1.996 1.00 0.00 C ATOM 867 CG LEU A 53 -4.797 8.670 -0.895 1.00 0.00 C ATOM 868 CD1 LEU A 53 -5.811 8.301 0.190 1.00 0.00 C ATOM 869 CD2 LEU A 53 -4.110 7.434 -1.480 1.00 0.00 C ATOM 0 H LEU A 53 -3.295 10.665 -2.304 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.537 8.492 -3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.551 10.530 -1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.461 9.127 -2.161 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.024 9.275 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.320 7.707 0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.215 9.210 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.622 7.722 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.652 6.857 -0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.847 6.818 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.341 7.746 -2.186 1.00 0.00 H new ATOM 881 N PRO A 54 -5.580 11.498 -4.506 1.00 0.00 N ATOM 882 CA PRO A 54 -6.328 12.208 -5.530 1.00 0.00 C ATOM 883 C PRO A 54 -5.597 12.161 -6.874 1.00 0.00 C ATOM 884 O PRO A 54 -4.957 13.133 -7.271 1.00 0.00 O ATOM 885 CB PRO A 54 -6.490 13.620 -4.992 1.00 0.00 C ATOM 886 CG PRO A 54 -5.435 13.777 -3.908 1.00 0.00 C ATOM 887 CD PRO A 54 -4.907 12.392 -3.569 1.00 0.00 C ATOM 0 HA PRO A 54 -7.301 11.758 -5.728 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.351 14.357 -5.782 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.491 13.771 -4.588 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.626 14.420 -4.253 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.863 14.250 -3.024 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.824 12.342 -3.683 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.131 12.125 -2.536 1.00 0.00 H new ATOM 895 N GLY A 55 -5.717 11.020 -7.536 1.00 0.00 N ATOM 896 CA GLY A 55 -5.076 10.833 -8.827 1.00 0.00 C ATOM 897 C GLY A 55 -4.334 9.496 -8.882 1.00 0.00 C ATOM 898 O GLY A 55 -3.209 9.426 -9.374 1.00 0.00 O ATOM 0 H GLY A 55 -6.248 10.216 -7.203 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.825 10.870 -9.618 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.377 11.649 -9.012 1.00 0.00 H new ATOM 902 N CYS A 56 -4.994 8.468 -8.370 1.00 0.00 N ATOM 903 CA CYS A 56 -4.411 7.137 -8.355 1.00 0.00 C ATOM 904 C CYS A 56 -5.450 6.151 -8.895 1.00 0.00 C ATOM 905 O CYS A 56 -6.597 6.523 -9.138 1.00 0.00 O ATOM 906 CB CYS A 56 -3.927 6.747 -6.957 1.00 0.00 C ATOM 907 SG CYS A 56 -2.274 7.467 -6.644 1.00 0.00 S ATOM 0 H CYS A 56 -5.927 8.530 -7.962 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.527 7.117 -8.992 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.634 7.100 -6.207 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -3.883 5.662 -6.868 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.378 8.432 -5.779 1.00 0.00 H new ATOM 913 N THR A 57 -5.011 4.913 -9.067 1.00 0.00 N ATOM 914 CA THR A 57 -5.888 3.871 -9.573 1.00 0.00 C ATOM 915 C THR A 57 -5.735 2.595 -8.743 1.00 0.00 C ATOM 916 O THR A 57 -4.753 1.869 -8.890 1.00 0.00 O ATOM 917 CB THR A 57 -5.577 3.672 -11.058 1.00 0.00 C ATOM 918 OG1 THR A 57 -6.271 4.735 -11.704 1.00 0.00 O ATOM 919 CG2 THR A 57 -6.223 2.406 -11.626 1.00 0.00 C ATOM 0 H THR A 57 -4.059 4.608 -8.865 1.00 0.00 H new ATOM 0 HA THR A 57 -6.936 4.156 -9.481 1.00 0.00 H new ATOM 0 HB THR A 57 -4.497 3.624 -11.200 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.122 4.683 -12.671 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.971 2.312 -12.682 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.853 1.535 -11.086 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.306 2.469 -11.515 1.00 0.00 H new ATOM 927 N ILE A 58 -6.721 2.360 -7.890 1.00 0.00 N ATOM 928 CA ILE A 58 -6.708 1.184 -7.036 1.00 0.00 C ATOM 929 C ILE A 58 -7.210 -0.023 -7.831 1.00 0.00 C ATOM 930 O ILE A 58 -8.413 -0.179 -8.034 1.00 0.00 O ATOM 931 CB ILE A 58 -7.496 1.446 -5.751 1.00 0.00 C ATOM 932 CG1 ILE A 58 -6.802 2.501 -4.888 1.00 0.00 C ATOM 933 CG2 ILE A 58 -7.739 0.146 -4.983 1.00 0.00 C ATOM 934 CD1 ILE A 58 -7.641 3.778 -4.802 1.00 0.00 C ATOM 0 H ILE A 58 -7.534 2.964 -7.772 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.691 0.955 -6.717 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.473 1.846 -6.024 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.634 2.104 -3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.823 2.732 -5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.301 0.360 -4.074 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.307 -0.544 -5.607 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.782 -0.306 -4.720 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.125 4.512 -4.183 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.787 4.186 -5.802 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.610 3.547 -4.360 1.00 0.00 H new ATOM 946 N LYS A 59 -6.264 -0.845 -8.259 1.00 0.00 N ATOM 947 CA LYS A 59 -6.595 -2.033 -9.027 1.00 0.00 C ATOM 948 C LYS A 59 -6.434 -3.270 -8.140 1.00 0.00 C ATOM 949 O LYS A 59 -5.561 -3.308 -7.275 1.00 0.00 O ATOM 950 CB LYS A 59 -5.770 -2.087 -10.314 1.00 0.00 C ATOM 951 CG LYS A 59 -5.894 -0.781 -11.100 1.00 0.00 C ATOM 952 CD LYS A 59 -6.019 -1.054 -12.601 1.00 0.00 C ATOM 953 CE LYS A 59 -4.735 -1.673 -13.155 1.00 0.00 C ATOM 954 NZ LYS A 59 -5.050 -2.835 -14.016 1.00 0.00 N ATOM 0 H LYS A 59 -5.267 -0.712 -8.088 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.637 -2.002 -9.346 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.723 -2.272 -10.072 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.106 -2.920 -10.931 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.766 -0.225 -10.754 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.022 -0.155 -10.912 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.858 -1.725 -12.783 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.235 -0.124 -13.127 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.182 -0.928 -13.727 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.091 -1.986 -12.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.167 -3.244 -14.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.558 -3.552 -13.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.646 -2.527 -14.810 1.00 0.00 H new ATOM 968 N GLU A 60 -7.290 -4.250 -8.387 1.00 0.00 N ATOM 969 CA GLU A 60 -7.254 -5.485 -7.622 1.00 0.00 C ATOM 970 C GLU A 60 -6.515 -6.573 -8.404 1.00 0.00 C ATOM 971 O GLU A 60 -7.091 -7.208 -9.286 1.00 0.00 O ATOM 972 CB GLU A 60 -8.666 -5.941 -7.249 1.00 0.00 C ATOM 973 CG GLU A 60 -9.277 -5.022 -6.189 1.00 0.00 C ATOM 974 CD GLU A 60 -10.748 -5.367 -5.947 1.00 0.00 C ATOM 975 OE1 GLU A 60 -10.993 -6.476 -5.427 1.00 0.00 O ATOM 976 OE2 GLU A 60 -11.594 -4.512 -6.289 1.00 0.00 O ATOM 0 H GLU A 60 -8.013 -4.214 -9.106 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.711 -5.299 -6.695 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.297 -5.947 -8.138 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.634 -6.964 -6.874 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.720 -5.115 -5.257 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.191 -3.984 -6.509 1.00 0.00 H new ATOM 983 N ILE A 61 -5.250 -6.754 -8.053 1.00 0.00 N ATOM 984 CA ILE A 61 -4.427 -7.754 -8.711 1.00 0.00 C ATOM 985 C ILE A 61 -4.851 -9.147 -8.242 1.00 0.00 C ATOM 986 O ILE A 61 -5.112 -9.355 -7.058 1.00 0.00 O ATOM 987 CB ILE A 61 -2.942 -7.456 -8.489 1.00 0.00 C ATOM 988 CG1 ILE A 61 -2.655 -5.961 -8.640 1.00 0.00 C ATOM 989 CG2 ILE A 61 -2.069 -8.305 -9.415 1.00 0.00 C ATOM 990 CD1 ILE A 61 -3.331 -5.396 -9.891 1.00 0.00 C ATOM 0 H ILE A 61 -4.775 -6.225 -7.321 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.578 -7.721 -9.790 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.687 -7.730 -7.465 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.011 -5.428 -7.758 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.579 -5.798 -8.699 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.019 -8.074 -9.237 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.247 -9.362 -9.215 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.318 -8.085 -10.453 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.111 -4.332 -9.974 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.955 -5.914 -10.773 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.409 -5.539 -9.818 1.00 0.00 H new ATOM 1123 N PHE A 71 -6.838 -11.176 -1.945 1.00 0.00 N ATOM 1124 CA PHE A 71 -6.875 -9.840 -1.375 1.00 0.00 C ATOM 1125 C PHE A 71 -5.597 -9.067 -1.706 1.00 0.00 C ATOM 1126 O PHE A 71 -4.872 -8.644 -0.807 1.00 0.00 O ATOM 1127 CB PHE A 71 -6.979 -10.003 0.143 1.00 0.00 C ATOM 1128 CG PHE A 71 -7.992 -11.060 0.587 1.00 0.00 C ATOM 1129 CD1 PHE A 71 -9.129 -11.257 -0.133 1.00 0.00 C ATOM 1130 CD2 PHE A 71 -7.756 -11.802 1.701 1.00 0.00 C ATOM 1131 CE1 PHE A 71 -10.070 -12.237 0.279 1.00 0.00 C ATOM 1132 CE2 PHE A 71 -8.697 -12.783 2.114 1.00 0.00 C ATOM 1133 CZ PHE A 71 -9.834 -12.980 1.394 1.00 0.00 C ATOM 0 HA PHE A 71 -7.720 -9.285 -1.783 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.998 -10.266 0.538 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.253 -9.044 0.583 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.316 -10.668 -1.018 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.853 -11.646 2.272 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.973 -12.393 -0.293 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -8.510 -13.372 2.999 1.00 0.00 H new ATOM 0 HZ PHE A 71 -10.549 -13.726 1.707 1.00 0.00 H new ATOM 1143 N VAL A 72 -5.360 -8.905 -3.000 1.00 0.00 N ATOM 1144 CA VAL A 72 -4.182 -8.190 -3.461 1.00 0.00 C ATOM 1145 C VAL A 72 -4.613 -7.039 -4.372 1.00 0.00 C ATOM 1146 O VAL A 72 -5.369 -7.243 -5.321 1.00 0.00 O ATOM 1147 CB VAL A 72 -3.214 -9.160 -4.142 1.00 0.00 C ATOM 1148 CG1 VAL A 72 -1.876 -8.481 -4.440 1.00 0.00 C ATOM 1149 CG2 VAL A 72 -3.014 -10.419 -3.295 1.00 0.00 C ATOM 0 H VAL A 72 -5.964 -9.257 -3.743 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.646 -7.754 -2.618 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.655 -9.462 -5.092 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.207 -9.192 -4.924 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.039 -7.629 -5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.427 -8.137 -3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.322 -11.092 -3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.606 -10.142 -2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.972 -10.920 -3.157 1.00 0.00 H new ATOM 1159 N PHE A 73 -4.114 -5.854 -4.052 1.00 0.00 N ATOM 1160 CA PHE A 73 -4.438 -4.671 -4.830 1.00 0.00 C ATOM 1161 C PHE A 73 -3.230 -3.739 -4.941 1.00 0.00 C ATOM 1162 O PHE A 73 -2.528 -3.507 -3.957 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.562 -3.943 -4.089 1.00 0.00 C ATOM 1164 CG PHE A 73 -5.092 -3.157 -2.864 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -4.705 -3.817 -1.739 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -5.061 -1.798 -2.898 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -4.270 -3.088 -0.602 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -4.625 -1.068 -1.760 1.00 0.00 C ATOM 1169 CZ PHE A 73 -4.239 -1.729 -0.636 1.00 0.00 C ATOM 0 H PHE A 73 -3.488 -5.688 -3.264 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.734 -4.959 -5.839 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.055 -3.259 -4.780 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.309 -4.673 -3.775 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.729 -4.896 -1.711 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.368 -1.273 -3.791 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.963 -3.613 0.291 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.600 0.011 -1.787 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.908 -1.175 0.230 1.00 0.00 H new ATOM 1179 N GLU A 74 -3.023 -3.231 -6.147 1.00 0.00 N ATOM 1180 CA GLU A 74 -1.911 -2.330 -6.399 1.00 0.00 C ATOM 1181 C GLU A 74 -2.426 -0.914 -6.666 1.00 0.00 C ATOM 1182 O GLU A 74 -3.427 -0.733 -7.357 1.00 0.00 O ATOM 1183 CB GLU A 74 -1.053 -2.830 -7.563 1.00 0.00 C ATOM 1184 CG GLU A 74 -1.454 -2.147 -8.872 1.00 0.00 C ATOM 1185 CD GLU A 74 -0.979 -2.957 -10.080 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -0.705 -4.160 -9.885 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -0.900 -2.353 -11.172 1.00 0.00 O ATOM 0 H GLU A 74 -3.607 -3.426 -6.960 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.280 -2.305 -5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.001 -2.635 -7.354 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.163 -3.910 -7.663 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.537 -2.032 -8.910 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.026 -1.145 -8.910 1.00 0.00 H new ATOM 1194 N ILE A 75 -1.717 0.054 -6.103 1.00 0.00 N ATOM 1195 CA ILE A 75 -2.090 1.449 -6.271 1.00 0.00 C ATOM 1196 C ILE A 75 -1.218 2.077 -7.361 1.00 0.00 C ATOM 1197 O ILE A 75 0.000 2.159 -7.216 1.00 0.00 O ATOM 1198 CB ILE A 75 -2.026 2.186 -4.932 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -2.742 1.394 -3.836 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -2.573 3.608 -5.063 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -2.396 1.941 -2.450 1.00 0.00 C ATOM 0 H ILE A 75 -0.887 -0.100 -5.531 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.125 1.530 -6.603 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.980 2.270 -4.637 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.820 1.443 -3.992 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.459 0.343 -3.897 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.516 4.110 -4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.982 4.159 -5.794 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.612 3.569 -5.391 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.918 1.361 -1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.321 1.868 -2.288 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.703 2.985 -2.384 1.00 0.00 H new ATOM 1213 N ILE A 76 -1.878 2.504 -8.428 1.00 0.00 N ATOM 1214 CA ILE A 76 -1.178 3.122 -9.542 1.00 0.00 C ATOM 1215 C ILE A 76 -1.257 4.644 -9.406 1.00 0.00 C ATOM 1216 O ILE A 76 -2.347 5.209 -9.334 1.00 0.00 O ATOM 1217 CB ILE A 76 -1.719 2.594 -10.873 1.00 0.00 C ATOM 1218 CG1 ILE A 76 -1.393 1.110 -11.047 1.00 0.00 C ATOM 1219 CG2 ILE A 76 -1.207 3.435 -12.044 1.00 0.00 C ATOM 1220 CD1 ILE A 76 -2.663 0.297 -11.308 1.00 0.00 C ATOM 0 H ILE A 76 -2.889 2.434 -8.545 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.122 2.854 -9.525 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.805 2.685 -10.861 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.698 0.981 -11.877 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.895 0.736 -10.153 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.606 3.039 -12.978 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.532 4.468 -11.920 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.118 3.398 -12.070 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.403 -0.755 -11.428 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.346 0.408 -10.466 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.146 0.658 -12.216 1.00 0.00 H new ATOM 1232 N PRO A 77 -0.055 5.280 -9.375 1.00 0.00 N ATOM 1233 CA PRO A 77 0.023 6.726 -9.249 1.00 0.00 C ATOM 1234 C PRO A 77 -0.346 7.411 -10.566 1.00 0.00 C ATOM 1235 O PRO A 77 -0.494 6.751 -11.594 1.00 0.00 O ATOM 1236 CB PRO A 77 1.451 7.006 -8.813 1.00 0.00 C ATOM 1237 CG PRO A 77 2.246 5.757 -9.159 1.00 0.00 C ATOM 1238 CD PRO A 77 1.256 4.643 -9.458 1.00 0.00 C ATOM 0 HA PRO A 77 -0.686 7.124 -8.523 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.852 7.879 -9.328 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.499 7.216 -7.744 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.887 5.939 -10.021 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.897 5.477 -8.331 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.427 4.216 -10.446 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.347 3.829 -8.739 1.00 0.00 H new ATOM 1411 N SER A 89 3.821 0.837 -9.950 1.00 0.00 N ATOM 1412 CA SER A 89 2.642 0.976 -9.112 1.00 0.00 C ATOM 1413 C SER A 89 2.951 0.498 -7.691 1.00 0.00 C ATOM 1414 O SER A 89 4.022 -0.049 -7.436 1.00 0.00 O ATOM 1415 CB SER A 89 1.460 0.194 -9.690 1.00 0.00 C ATOM 1416 OG SER A 89 1.826 -1.134 -10.055 1.00 0.00 O ATOM 0 HA SER A 89 2.366 2.030 -9.082 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.655 0.159 -8.956 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.072 0.717 -10.564 1.00 0.00 H new ATOM 0 HG SER A 89 2.773 -1.155 -10.308 1.00 0.00 H new ATOM 1422 N TYR A 90 1.993 0.722 -6.804 1.00 0.00 N ATOM 1423 CA TYR A 90 2.149 0.321 -5.417 1.00 0.00 C ATOM 1424 C TYR A 90 1.391 -0.977 -5.132 1.00 0.00 C ATOM 1425 O TYR A 90 0.212 -0.948 -4.785 1.00 0.00 O ATOM 1426 CB TYR A 90 1.538 1.448 -4.581 1.00 0.00 C ATOM 1427 CG TYR A 90 2.559 2.236 -3.757 1.00 0.00 C ATOM 1428 CD1 TYR A 90 3.784 2.560 -4.303 1.00 0.00 C ATOM 1429 CD2 TYR A 90 2.254 2.621 -2.467 1.00 0.00 C ATOM 1430 CE1 TYR A 90 4.744 3.301 -3.528 1.00 0.00 C ATOM 1431 CE2 TYR A 90 3.215 3.363 -1.692 1.00 0.00 C ATOM 1432 CZ TYR A 90 4.412 3.666 -2.260 1.00 0.00 C ATOM 1433 OH TYR A 90 5.320 4.366 -1.528 1.00 0.00 O ATOM 0 H TYR A 90 1.106 1.176 -7.019 1.00 0.00 H new ATOM 0 HA TYR A 90 3.200 0.149 -5.184 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.014 2.136 -5.245 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.793 1.024 -3.908 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.022 2.258 -5.312 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.296 2.366 -2.039 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.706 3.561 -3.944 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.989 3.672 -0.682 1.00 0.00 H new ATOM 0 HH TYR A 90 5.401 3.965 -0.637 1.00 0.00 H new ATOM 1443 N VAL A 91 2.100 -2.085 -5.291 1.00 0.00 N ATOM 1444 CA VAL A 91 1.509 -3.391 -5.055 1.00 0.00 C ATOM 1445 C VAL A 91 1.379 -3.624 -3.549 1.00 0.00 C ATOM 1446 O VAL A 91 2.357 -3.957 -2.881 1.00 0.00 O ATOM 1447 CB VAL A 91 2.333 -4.473 -5.758 1.00 0.00 C ATOM 1448 CG1 VAL A 91 1.830 -5.870 -5.390 1.00 0.00 C ATOM 1449 CG2 VAL A 91 2.326 -4.269 -7.274 1.00 0.00 C ATOM 0 H VAL A 91 3.078 -2.105 -5.580 1.00 0.00 H new ATOM 0 HA VAL A 91 0.506 -3.438 -5.479 1.00 0.00 H new ATOM 0 HB VAL A 91 3.364 -4.387 -5.414 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.432 -6.620 -5.903 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.911 -6.014 -4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.788 -5.973 -5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.919 -5.051 -7.749 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.301 -4.316 -7.643 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.753 -3.295 -7.512 1.00 0.00 H new ATOM 1459 N LEU A 92 0.163 -3.438 -3.057 1.00 0.00 N ATOM 1460 CA LEU A 92 -0.108 -3.623 -1.641 1.00 0.00 C ATOM 1461 C LEU A 92 -0.979 -4.867 -1.451 1.00 0.00 C ATOM 1462 O LEU A 92 -1.948 -5.068 -2.182 1.00 0.00 O ATOM 1463 CB LEU A 92 -0.712 -2.352 -1.040 1.00 0.00 C ATOM 1464 CG LEU A 92 -0.003 -1.042 -1.390 1.00 0.00 C ATOM 1465 CD1 LEU A 92 -0.543 0.115 -0.548 1.00 0.00 C ATOM 1466 CD2 LEU A 92 1.515 -1.188 -1.257 1.00 0.00 C ATOM 0 H LEU A 92 -0.646 -3.161 -3.613 1.00 0.00 H new ATOM 0 HA LEU A 92 0.820 -3.796 -1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.750 -2.278 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.724 -2.457 0.045 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.214 -0.807 -2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.022 1.034 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.610 0.234 -0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.382 -0.098 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.995 -0.243 -1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.766 -1.458 -0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.866 -1.967 -1.934 1.00 0.00 H new ATOM 1478 N MET A 93 -0.602 -5.669 -0.466 1.00 0.00 N ATOM 1479 CA MET A 93 -1.336 -6.887 -0.171 1.00 0.00 C ATOM 1480 C MET A 93 -1.752 -6.934 1.301 1.00 0.00 C ATOM 1481 O MET A 93 -0.928 -6.723 2.190 1.00 0.00 O ATOM 1482 CB MET A 93 -0.462 -8.101 -0.493 1.00 0.00 C ATOM 1483 CG MET A 93 -1.190 -9.405 -0.160 1.00 0.00 C ATOM 1484 SD MET A 93 -0.491 -10.751 -1.100 1.00 0.00 S ATOM 1485 CE MET A 93 1.202 -10.675 -0.539 1.00 0.00 C ATOM 0 H MET A 93 0.202 -5.499 0.138 1.00 0.00 H new ATOM 0 HA MET A 93 -2.237 -6.903 -0.785 1.00 0.00 H new ATOM 0 HB2 MET A 93 -0.193 -8.090 -1.549 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.468 -8.045 0.073 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.109 -9.615 0.907 1.00 0.00 H new ATOM 0 HG3 MET A 93 -2.252 -9.306 -0.385 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.825 -11.302 -1.177 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.555 -9.645 -0.586 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.261 -11.032 0.489 1.00 0.00 H new ATOM 1495 N ALA A 94 -3.031 -7.210 1.513 1.00 0.00 N ATOM 1496 CA ALA A 94 -3.566 -7.287 2.861 1.00 0.00 C ATOM 1497 C ALA A 94 -3.671 -8.754 3.281 1.00 0.00 C ATOM 1498 O ALA A 94 -3.716 -9.645 2.433 1.00 0.00 O ATOM 1499 CB ALA A 94 -4.915 -6.567 2.916 1.00 0.00 C ATOM 0 H ALA A 94 -3.712 -7.383 0.773 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.901 -6.789 3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.317 -6.624 3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.781 -5.522 2.638 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.609 -7.041 2.222 1.00 0.00 H new ATOM 1505 N SER A 95 -3.706 -8.961 4.589 1.00 0.00 N ATOM 1506 CA SER A 95 -3.805 -10.306 5.132 1.00 0.00 C ATOM 1507 C SER A 95 -5.216 -10.856 4.914 1.00 0.00 C ATOM 1508 O SER A 95 -5.387 -11.912 4.307 1.00 0.00 O ATOM 1509 CB SER A 95 -3.451 -10.326 6.620 1.00 0.00 C ATOM 1510 OG SER A 95 -2.328 -11.161 6.890 1.00 0.00 O ATOM 0 H SER A 95 -3.668 -8.220 5.289 1.00 0.00 H new ATOM 0 HA SER A 95 -3.090 -10.940 4.608 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.237 -9.311 6.956 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.310 -10.677 7.192 1.00 0.00 H new ATOM 0 HG SER A 95 -2.132 -11.146 7.850 1.00 0.00 H new ATOM 1516 N SER A 96 -6.190 -10.115 5.422 1.00 0.00 N ATOM 1517 CA SER A 96 -7.581 -10.515 5.290 1.00 0.00 C ATOM 1518 C SER A 96 -8.268 -9.674 4.213 1.00 0.00 C ATOM 1519 O SER A 96 -7.613 -8.913 3.503 1.00 0.00 O ATOM 1520 CB SER A 96 -8.321 -10.380 6.623 1.00 0.00 C ATOM 1521 OG SER A 96 -8.320 -9.037 7.100 1.00 0.00 O ATOM 0 H SER A 96 -6.044 -9.240 5.926 1.00 0.00 H new ATOM 0 HA SER A 96 -7.609 -11.564 4.994 1.00 0.00 H new ATOM 0 HB2 SER A 96 -9.349 -10.722 6.503 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.854 -11.028 7.364 1.00 0.00 H new ATOM 0 HG SER A 96 -8.803 -8.992 7.951 1.00 0.00 H new ATOM 1527 N GLN A 97 -9.580 -9.839 4.126 1.00 0.00 N ATOM 1528 CA GLN A 97 -10.363 -9.104 3.148 1.00 0.00 C ATOM 1529 C GLN A 97 -10.948 -7.838 3.778 1.00 0.00 C ATOM 1530 O GLN A 97 -11.046 -6.802 3.122 1.00 0.00 O ATOM 1531 CB GLN A 97 -11.468 -9.983 2.557 1.00 0.00 C ATOM 1532 CG GLN A 97 -12.282 -9.214 1.515 1.00 0.00 C ATOM 1533 CD GLN A 97 -13.022 -10.174 0.581 1.00 0.00 C ATOM 1534 OE1 GLN A 97 -13.214 -11.342 0.874 1.00 0.00 O ATOM 1535 NE2 GLN A 97 -13.426 -9.617 -0.558 1.00 0.00 N ATOM 0 H GLN A 97 -10.120 -10.471 4.717 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.703 -8.809 2.332 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -11.027 -10.868 2.098 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.126 -10.331 3.353 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.999 -8.563 2.016 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.621 -8.572 0.933 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.232 -8.632 -0.741 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.929 -10.175 -1.248 1.00 0.00 H new ATOM 1544 N ALA A 98 -11.321 -7.964 5.043 1.00 0.00 N ATOM 1545 CA ALA A 98 -11.893 -6.843 5.769 1.00 0.00 C ATOM 1546 C ALA A 98 -10.856 -5.723 5.870 1.00 0.00 C ATOM 1547 O ALA A 98 -11.211 -4.549 5.962 1.00 0.00 O ATOM 1548 CB ALA A 98 -12.376 -7.317 7.142 1.00 0.00 C ATOM 0 H ALA A 98 -11.238 -8.825 5.584 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.758 -6.444 5.239 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.805 -6.476 7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.133 -8.091 7.014 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.534 -7.722 7.704 1.00 0.00 H new ATOM 1554 N GLU A 99 -9.593 -6.126 5.850 1.00 0.00 N ATOM 1555 CA GLU A 99 -8.502 -5.171 5.938 1.00 0.00 C ATOM 1556 C GLU A 99 -8.281 -4.491 4.586 1.00 0.00 C ATOM 1557 O GLU A 99 -8.073 -3.281 4.522 1.00 0.00 O ATOM 1558 CB GLU A 99 -7.220 -5.848 6.428 1.00 0.00 C ATOM 1559 CG GLU A 99 -6.224 -4.815 6.961 1.00 0.00 C ATOM 1560 CD GLU A 99 -5.731 -5.199 8.357 1.00 0.00 C ATOM 1561 OE1 GLU A 99 -6.500 -4.966 9.315 1.00 0.00 O ATOM 1562 OE2 GLU A 99 -4.596 -5.717 8.436 1.00 0.00 O ATOM 0 H GLU A 99 -9.302 -7.101 5.774 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.772 -4.406 6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.460 -6.565 7.213 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.766 -6.409 5.611 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.376 -4.737 6.281 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.696 -3.833 6.995 1.00 0.00 H new ATOM 1569 N MET A 100 -8.333 -5.300 3.537 1.00 0.00 N ATOM 1570 CA MET A 100 -8.141 -4.791 2.190 1.00 0.00 C ATOM 1571 C MET A 100 -9.331 -3.935 1.752 1.00 0.00 C ATOM 1572 O MET A 100 -9.168 -2.979 0.996 1.00 0.00 O ATOM 1573 CB MET A 100 -7.971 -5.963 1.221 1.00 0.00 C ATOM 1574 CG MET A 100 -7.651 -5.466 -0.190 1.00 0.00 C ATOM 1575 SD MET A 100 -8.097 -6.709 -1.391 1.00 0.00 S ATOM 1576 CE MET A 100 -9.866 -6.750 -1.152 1.00 0.00 C ATOM 0 H MET A 100 -8.505 -6.304 3.593 1.00 0.00 H new ATOM 0 HA MET A 100 -7.247 -4.168 2.181 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.171 -6.615 1.571 1.00 0.00 H new ATOM 0 HB3 MET A 100 -8.883 -6.559 1.202 1.00 0.00 H new ATOM 0 HG2 MET A 100 -8.194 -4.543 -0.391 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.589 -5.235 -0.271 1.00 0.00 H new ATOM 0 HE1 MET A 100 -10.365 -6.717 -2.121 1.00 0.00 H new ATOM 0 HE2 MET A 100 -10.142 -7.668 -0.633 1.00 0.00 H new ATOM 0 HE3 MET A 100 -10.173 -5.890 -0.556 1.00 0.00 H new ATOM 1586 N GLU A 101 -10.502 -4.310 2.246 1.00 0.00 N ATOM 1587 CA GLU A 101 -11.719 -3.588 1.915 1.00 0.00 C ATOM 1588 C GLU A 101 -11.703 -2.198 2.554 1.00 0.00 C ATOM 1589 O GLU A 101 -12.035 -1.208 1.904 1.00 0.00 O ATOM 1590 CB GLU A 101 -12.958 -4.375 2.348 1.00 0.00 C ATOM 1591 CG GLU A 101 -13.656 -5.006 1.141 1.00 0.00 C ATOM 1592 CD GLU A 101 -14.007 -3.945 0.095 1.00 0.00 C ATOM 1593 OE1 GLU A 101 -14.322 -2.812 0.519 1.00 0.00 O ATOM 1594 OE2 GLU A 101 -13.952 -4.292 -1.105 1.00 0.00 O ATOM 0 H GLU A 101 -10.634 -5.104 2.873 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.764 -3.468 0.832 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.670 -5.154 3.054 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.650 -3.713 2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.008 -5.761 0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.563 -5.516 1.466 1.00 0.00 H new ATOM 1601 N GLU A 102 -11.312 -2.168 3.820 1.00 0.00 N ATOM 1602 CA GLU A 102 -11.247 -0.916 4.553 1.00 0.00 C ATOM 1603 C GLU A 102 -10.251 0.038 3.890 1.00 0.00 C ATOM 1604 O GLU A 102 -10.558 1.209 3.673 1.00 0.00 O ATOM 1605 CB GLU A 102 -10.881 -1.157 6.019 1.00 0.00 C ATOM 1606 CG GLU A 102 -11.041 0.123 6.842 1.00 0.00 C ATOM 1607 CD GLU A 102 -12.485 0.291 7.319 1.00 0.00 C ATOM 1608 OE1 GLU A 102 -12.782 -0.217 8.422 1.00 0.00 O ATOM 1609 OE2 GLU A 102 -13.260 0.924 6.570 1.00 0.00 O ATOM 0 H GLU A 102 -11.037 -2.991 4.356 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.234 -0.454 4.530 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.516 -1.941 6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -9.852 -1.511 6.087 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.371 0.093 7.702 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.750 0.985 6.241 1.00 0.00 H new ATOM 1616 N TRP A 103 -9.079 -0.500 3.585 1.00 0.00 N ATOM 1617 CA TRP A 103 -8.037 0.289 2.950 1.00 0.00 C ATOM 1618 C TRP A 103 -8.592 0.833 1.633 1.00 0.00 C ATOM 1619 O TRP A 103 -8.795 2.038 1.491 1.00 0.00 O ATOM 1620 CB TRP A 103 -6.761 -0.536 2.766 1.00 0.00 C ATOM 1621 CG TRP A 103 -5.785 -0.443 3.940 1.00 0.00 C ATOM 1622 CD1 TRP A 103 -5.404 -1.419 4.776 1.00 0.00 C ATOM 1623 CD2 TRP A 103 -5.077 0.736 4.378 1.00 0.00 C ATOM 1624 NE1 TRP A 103 -4.506 -0.958 5.716 1.00 0.00 N ATOM 1625 CE2 TRP A 103 -4.300 0.394 5.467 1.00 0.00 C ATOM 1626 CE3 TRP A 103 -5.091 2.047 3.871 1.00 0.00 C ATOM 1627 CZ2 TRP A 103 -3.481 1.307 6.141 1.00 0.00 C ATOM 1628 CZ3 TRP A 103 -4.267 2.948 4.556 1.00 0.00 C ATOM 1629 CH2 TRP A 103 -3.479 2.620 5.653 1.00 0.00 C ATOM 0 H TRP A 103 -8.828 -1.472 3.766 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.751 1.131 3.581 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -7.034 -1.580 2.616 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.255 -0.206 1.859 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -5.756 -2.439 4.721 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.073 -1.508 6.458 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.690 2.336 3.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -2.883 1.015 6.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -4.242 3.970 4.207 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -2.868 3.374 6.127 1.00 0.00 H new ATOM 1640 N VAL A 104 -8.823 -0.081 0.702 1.00 0.00 N ATOM 1641 CA VAL A 104 -9.351 0.293 -0.600 1.00 0.00 C ATOM 1642 C VAL A 104 -10.467 1.324 -0.415 1.00 0.00 C ATOM 1643 O VAL A 104 -10.458 2.374 -1.055 1.00 0.00 O ATOM 1644 CB VAL A 104 -9.809 -0.955 -1.357 1.00 0.00 C ATOM 1645 CG1 VAL A 104 -10.560 -0.576 -2.635 1.00 0.00 C ATOM 1646 CG2 VAL A 104 -8.625 -1.872 -1.668 1.00 0.00 C ATOM 0 H VAL A 104 -8.654 -1.080 0.823 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.575 0.759 -1.208 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.498 -1.503 -0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.875 -1.481 -3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.437 0.019 -2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -9.904 0.005 -3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.978 -2.752 -2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.902 -1.336 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.151 -2.182 -0.737 1.00 0.00 H new ATOM 1656 N LYS A 105 -11.401 0.987 0.462 1.00 0.00 N ATOM 1657 CA LYS A 105 -12.521 1.870 0.738 1.00 0.00 C ATOM 1658 C LYS A 105 -12.005 3.296 0.935 1.00 0.00 C ATOM 1659 O LYS A 105 -12.323 4.189 0.151 1.00 0.00 O ATOM 1660 CB LYS A 105 -13.340 1.343 1.919 1.00 0.00 C ATOM 1661 CG LYS A 105 -14.560 2.229 2.179 1.00 0.00 C ATOM 1662 CD LYS A 105 -14.252 3.289 3.239 1.00 0.00 C ATOM 1663 CE LYS A 105 -14.973 2.976 4.552 1.00 0.00 C ATOM 1664 NZ LYS A 105 -15.892 4.079 4.913 1.00 0.00 N ATOM 0 H LYS A 105 -11.405 0.115 0.991 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.205 1.893 -0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.664 0.323 1.715 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.716 1.307 2.812 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.866 2.714 1.252 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.397 1.614 2.508 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.177 3.334 3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.558 4.270 2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.532 2.046 4.454 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.243 2.827 5.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.374 3.851 5.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.350 4.959 5.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.599 4.202 4.160 1.00 0.00 H new ATOM 1678 N PHE A 106 -11.216 3.466 1.986 1.00 0.00 N ATOM 1679 CA PHE A 106 -10.652 4.769 2.296 1.00 0.00 C ATOM 1680 C PHE A 106 -9.887 5.334 1.098 1.00 0.00 C ATOM 1681 O PHE A 106 -10.156 6.449 0.655 1.00 0.00 O ATOM 1682 CB PHE A 106 -9.679 4.570 3.460 1.00 0.00 C ATOM 1683 CG PHE A 106 -10.338 4.632 4.839 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -11.021 5.746 5.217 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -10.241 3.574 5.688 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -11.632 5.804 6.497 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -10.852 3.632 6.968 1.00 0.00 C ATOM 1688 CZ PHE A 106 -11.535 4.746 7.346 1.00 0.00 C ATOM 0 H PHE A 106 -10.954 2.723 2.634 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.449 5.469 2.547 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.186 3.604 3.347 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -8.902 5.333 3.405 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -11.098 6.586 4.543 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.699 2.689 5.388 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -12.174 6.689 6.797 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -10.775 2.792 7.642 1.00 0.00 H new ATOM 0 HZ PHE A 106 -12.000 4.790 8.320 1.00 0.00 H new ATOM 1698 N LEU A 107 -8.948 4.538 0.607 1.00 0.00 N ATOM 1699 CA LEU A 107 -8.142 4.945 -0.531 1.00 0.00 C ATOM 1700 C LEU A 107 -9.061 5.423 -1.657 1.00 0.00 C ATOM 1701 O LEU A 107 -9.097 6.612 -1.971 1.00 0.00 O ATOM 1702 CB LEU A 107 -7.195 3.818 -0.947 1.00 0.00 C ATOM 1703 CG LEU A 107 -6.133 3.420 0.080 1.00 0.00 C ATOM 1704 CD1 LEU A 107 -5.738 1.951 -0.080 1.00 0.00 C ATOM 1705 CD2 LEU A 107 -4.921 4.350 0.003 1.00 0.00 C ATOM 0 H LEU A 107 -8.728 3.613 0.977 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.502 5.786 -0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.792 2.937 -1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.690 4.116 -1.866 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.563 3.531 1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.982 1.695 0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.616 1.321 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.335 1.790 -1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.181 4.045 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.482 4.294 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.235 5.374 0.204 1.00 0.00 H new ATOM 1717 N ARG A 108 -9.782 4.473 -2.233 1.00 0.00 N ATOM 1718 CA ARG A 108 -10.699 4.782 -3.317 1.00 0.00 C ATOM 1719 C ARG A 108 -11.582 5.974 -2.941 1.00 0.00 C ATOM 1720 O ARG A 108 -11.802 6.869 -3.756 1.00 0.00 O ATOM 1721 CB ARG A 108 -11.588 3.582 -3.646 1.00 0.00 C ATOM 1722 CG ARG A 108 -10.981 2.742 -4.771 1.00 0.00 C ATOM 1723 CD ARG A 108 -12.030 1.817 -5.392 1.00 0.00 C ATOM 1724 NE ARG A 108 -11.378 0.858 -6.312 1.00 0.00 N ATOM 1725 CZ ARG A 108 -11.981 -0.227 -6.816 1.00 0.00 C ATOM 1726 NH1 ARG A 108 -13.252 -0.499 -6.493 1.00 0.00 N ATOM 1727 NH2 ARG A 108 -11.311 -1.041 -7.644 1.00 0.00 N ATOM 0 H ARG A 108 -9.750 3.488 -1.969 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.103 5.029 -4.195 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.717 2.966 -2.756 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.579 3.929 -3.940 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -10.570 3.398 -5.538 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.153 2.149 -4.381 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -12.561 1.278 -4.608 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -12.771 2.405 -5.932 1.00 0.00 H new ATOM 0 HE ARG A 108 -10.409 1.034 -6.579 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -13.762 0.120 -5.863 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -13.710 -1.325 -6.877 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -10.343 -0.834 -7.890 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -11.769 -1.867 -8.028 1.00 0.00 H new ATOM 1741 N ARG A 109 -12.063 5.948 -1.707 1.00 0.00 N ATOM 1742 CA ARG A 109 -12.917 7.015 -1.214 1.00 0.00 C ATOM 1743 C ARG A 109 -12.231 8.370 -1.396 1.00 0.00 C ATOM 1744 O ARG A 109 -12.781 9.268 -2.033 1.00 0.00 O ATOM 1745 CB ARG A 109 -13.251 6.814 0.265 1.00 0.00 C ATOM 1746 CG ARG A 109 -14.079 7.982 0.804 1.00 0.00 C ATOM 1747 CD ARG A 109 -14.603 7.681 2.210 1.00 0.00 C ATOM 1748 NE ARG A 109 -16.080 7.597 2.192 1.00 0.00 N ATOM 1749 CZ ARG A 109 -16.841 7.501 3.291 1.00 0.00 C ATOM 1750 NH1 ARG A 109 -16.268 7.476 4.502 1.00 0.00 N ATOM 1751 NH2 ARG A 109 -18.174 7.430 3.179 1.00 0.00 N ATOM 0 H ARG A 109 -11.878 5.205 -1.034 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.842 6.992 -1.790 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -13.803 5.883 0.394 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.330 6.721 0.840 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.469 8.885 0.825 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.916 8.178 0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -14.182 6.743 2.571 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -14.283 8.461 2.901 1.00 0.00 H new ATOM 0 HE ARG A 109 -16.549 7.613 1.286 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -15.253 7.530 4.587 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -16.847 7.403 5.339 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -18.610 7.449 2.257 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -18.753 7.357 4.016 1.00 0.00 H new ATOM 1765 N VAL A 110 -11.040 8.476 -0.825 1.00 0.00 N ATOM 1766 CA VAL A 110 -10.273 9.707 -0.916 1.00 0.00 C ATOM 1767 C VAL A 110 -9.910 9.969 -2.379 1.00 0.00 C ATOM 1768 O VAL A 110 -10.150 11.060 -2.896 1.00 0.00 O ATOM 1769 CB VAL A 110 -9.050 9.630 -0.001 1.00 0.00 C ATOM 1770 CG1 VAL A 110 -8.044 10.734 -0.335 1.00 0.00 C ATOM 1771 CG2 VAL A 110 -9.462 9.692 1.472 1.00 0.00 C ATOM 0 H VAL A 110 -10.587 7.729 -0.298 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.867 10.554 -0.572 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.564 8.670 -0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.184 10.656 0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.714 10.625 -1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.516 11.708 -0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.574 9.635 2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.984 10.629 1.665 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -10.122 8.855 1.701 1.00 0.00 H new ATOM 1781 N ALA A 111 -9.338 8.952 -3.005 1.00 0.00 N ATOM 1782 CA ALA A 111 -8.939 9.059 -4.398 1.00 0.00 C ATOM 1783 C ALA A 111 -10.126 9.552 -5.227 1.00 0.00 C ATOM 1784 O ALA A 111 -9.944 10.109 -6.309 1.00 0.00 O ATOM 1785 CB ALA A 111 -8.410 7.707 -4.883 1.00 0.00 C ATOM 0 H ALA A 111 -9.141 8.049 -2.573 1.00 0.00 H new ATOM 0 HA ALA A 111 -8.133 9.784 -4.512 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -8.111 7.787 -5.928 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -7.550 7.415 -4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.192 6.954 -4.786 1.00 0.00 H new