USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 561 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 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 61 THR OG1 : rot 143:sc= 0.248 USER MOD Set 2.2: A 68 GLN : amide:sc= -3.22 K(o=-3,f=-3.7!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.325 USER MOD Single : A 17 ASN : amide:sc= 0.516 K(o=0.52,f=-0.71) USER MOD Single : A 18 LYS NZ :NH3+ -123:sc= 1.3 (180deg=-0.106) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -15.4! C(o=-15!,f=-14!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -123:sc= 0.492 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.197 USER MOD Single : A 46 GLN : amide:sc= -0.0173 X(o=-0.017,f=0) USER MOD Single : A 47 TYR OH : rot 30:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -129:sc= -4.08! (180deg=-5.65!) USER MOD Single : A 65 SER OG : rot -120:sc= -0.137 USER MOD Single : A 75 SER OG : rot -170:sc= -0.196 USER MOD Single : A 77 GLN : amide:sc= -5.91! C(o=-5.9!,f=-3.8!) USER MOD Single : A 83 THR OG1 : rot 3:sc= 0.261 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0496 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.0034) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -14.497 -5.285 -2.406 1.00 0.00 N ATOM 91 CA VAL A 7 -14.617 -4.019 -1.702 1.00 0.00 C ATOM 92 C VAL A 7 -13.714 -2.928 -2.276 1.00 0.00 C ATOM 93 O VAL A 7 -14.211 -1.932 -2.803 1.00 0.00 O ATOM 94 CB VAL A 7 -14.364 -4.166 -0.176 1.00 0.00 C ATOM 95 CG1 VAL A 7 -15.464 -3.460 0.613 1.00 0.00 C ATOM 96 CG2 VAL A 7 -14.289 -5.631 0.240 1.00 0.00 C ATOM 0 HA VAL A 7 -15.651 -3.708 -1.853 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.403 -3.701 0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.274 -3.571 1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.475 -2.401 0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -16.429 -3.903 0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.111 -5.696 1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.229 -6.127 -0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.473 -6.119 -0.293 1.00 0.00 H new ATOM 106 N PRO A 8 -12.374 -3.054 -2.156 1.00 0.00 N ATOM 107 CA PRO A 8 -11.436 -2.050 -2.624 1.00 0.00 C ATOM 108 C PRO A 8 -10.614 -2.485 -3.855 1.00 0.00 C ATOM 109 O PRO A 8 -11.169 -2.766 -4.918 1.00 0.00 O ATOM 110 CB PRO A 8 -10.564 -1.960 -1.380 1.00 0.00 C ATOM 111 CG PRO A 8 -10.398 -3.397 -0.978 1.00 0.00 C ATOM 112 CD PRO A 8 -11.622 -4.134 -1.502 1.00 0.00 C ATOM 0 HA PRO A 8 -11.900 -1.126 -2.969 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.605 -1.487 -1.593 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -11.041 -1.374 -0.595 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.483 -3.815 -1.399 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.322 -3.491 0.105 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.353 -4.925 -2.202 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.193 -4.600 -0.698 1.00 0.00 H new ATOM 120 N LEU A 9 -9.285 -2.517 -3.696 1.00 0.00 N ATOM 121 CA LEU A 9 -8.351 -2.885 -4.759 1.00 0.00 C ATOM 122 C LEU A 9 -8.601 -4.296 -5.291 1.00 0.00 C ATOM 123 O LEU A 9 -8.631 -5.264 -4.531 1.00 0.00 O ATOM 124 CB LEU A 9 -6.920 -2.792 -4.198 1.00 0.00 C ATOM 125 CG LEU A 9 -5.745 -2.937 -5.192 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.191 -3.488 -6.529 1.00 0.00 C ATOM 127 CD2 LEU A 9 -5.037 -1.608 -5.395 1.00 0.00 C ATOM 0 H LEU A 9 -8.826 -2.285 -2.815 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.494 -2.199 -5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.818 -1.829 -3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.809 -3.561 -3.434 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.050 -3.651 -4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.331 -3.572 -7.193 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.637 -4.473 -6.386 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.927 -2.817 -6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.215 -1.738 -6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.742 -0.877 -5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.646 -1.255 -4.441 1.00 0.00 H new ATOM 139 N THR A 10 -8.729 -4.404 -6.615 1.00 0.00 N ATOM 140 CA THR A 10 -8.914 -5.690 -7.269 1.00 0.00 C ATOM 141 C THR A 10 -7.585 -6.164 -7.854 1.00 0.00 C ATOM 142 O THR A 10 -6.965 -5.463 -8.655 1.00 0.00 O ATOM 143 CB THR A 10 -9.961 -5.590 -8.378 1.00 0.00 C ATOM 144 OG1 THR A 10 -11.250 -5.362 -7.835 1.00 0.00 O ATOM 145 CG2 THR A 10 -10.035 -6.835 -9.237 1.00 0.00 C ATOM 0 H THR A 10 -8.707 -3.609 -7.253 1.00 0.00 H new ATOM 0 HA THR A 10 -9.265 -6.409 -6.528 1.00 0.00 H new ATOM 0 HB THR A 10 -9.646 -4.753 -9.002 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.905 -5.300 -8.562 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.796 -6.702 -10.006 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.068 -7.009 -9.710 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.294 -7.692 -8.615 1.00 0.00 H new ATOM 153 N PHE A 11 -7.149 -7.345 -7.443 1.00 0.00 N ATOM 154 CA PHE A 11 -5.887 -7.908 -7.917 1.00 0.00 C ATOM 155 C PHE A 11 -6.093 -8.717 -9.201 1.00 0.00 C ATOM 156 O PHE A 11 -7.209 -8.818 -9.709 1.00 0.00 O ATOM 157 CB PHE A 11 -5.275 -8.782 -6.823 1.00 0.00 C ATOM 158 CG PHE A 11 -5.948 -10.098 -6.683 1.00 0.00 C ATOM 159 CD1 PHE A 11 -7.144 -10.220 -6.004 1.00 0.00 C ATOM 160 CD2 PHE A 11 -5.381 -11.210 -7.252 1.00 0.00 C ATOM 161 CE1 PHE A 11 -7.766 -11.445 -5.900 1.00 0.00 C ATOM 162 CE2 PHE A 11 -5.986 -12.437 -7.153 1.00 0.00 C ATOM 163 CZ PHE A 11 -7.185 -12.558 -6.476 1.00 0.00 C ATOM 0 H PHE A 11 -7.650 -7.936 -6.780 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.204 -7.091 -8.148 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.219 -8.942 -7.043 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.326 -8.252 -5.872 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.595 -9.349 -5.551 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.446 -11.118 -7.785 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.703 -11.535 -5.371 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.527 -13.305 -7.602 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.667 -13.521 -6.397 1.00 0.00 H new ATOM 173 N THR A 12 -5.007 -9.285 -9.723 1.00 0.00 N ATOM 174 CA THR A 12 -5.073 -10.079 -10.955 1.00 0.00 C ATOM 175 C THR A 12 -5.422 -11.538 -10.657 1.00 0.00 C ATOM 176 O THR A 12 -5.949 -11.852 -9.602 1.00 0.00 O ATOM 177 CB THR A 12 -3.740 -10.002 -11.710 1.00 0.00 C ATOM 178 OG1 THR A 12 -3.911 -10.388 -13.066 1.00 0.00 O ATOM 179 CG2 THR A 12 -2.658 -10.875 -11.110 1.00 0.00 C ATOM 0 H THR A 12 -4.074 -9.213 -9.317 1.00 0.00 H new ATOM 0 HA THR A 12 -5.863 -9.661 -11.580 1.00 0.00 H new ATOM 0 HB THR A 12 -3.422 -8.962 -11.633 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.051 -10.331 -13.533 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.743 -10.772 -11.693 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.470 -10.566 -10.082 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.981 -11.916 -11.123 1.00 0.00 H new ATOM 187 N ASP A 13 -5.124 -12.428 -11.598 1.00 0.00 N ATOM 188 CA ASP A 13 -5.398 -13.849 -11.418 1.00 0.00 C ATOM 189 C ASP A 13 -4.194 -14.561 -10.816 1.00 0.00 C ATOM 190 O ASP A 13 -4.330 -15.408 -9.937 1.00 0.00 O ATOM 191 CB ASP A 13 -5.761 -14.491 -12.756 1.00 0.00 C ATOM 192 CG ASP A 13 -6.374 -15.866 -12.589 1.00 0.00 C ATOM 193 OD1 ASP A 13 -5.773 -16.704 -11.884 1.00 0.00 O ATOM 194 OD2 ASP A 13 -7.455 -16.108 -13.166 1.00 0.00 O ATOM 0 H ASP A 13 -4.693 -12.191 -12.492 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.239 -13.947 -10.732 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.461 -13.846 -13.287 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.866 -14.568 -13.374 1.00 0.00 H new ATOM 199 N ALA A 14 -3.018 -14.219 -11.317 1.00 0.00 N ATOM 200 CA ALA A 14 -1.776 -14.824 -10.857 1.00 0.00 C ATOM 201 C ALA A 14 -1.543 -14.571 -9.377 1.00 0.00 C ATOM 202 O ALA A 14 -1.120 -15.468 -8.649 1.00 0.00 O ATOM 203 CB ALA A 14 -0.605 -14.306 -11.674 1.00 0.00 C ATOM 0 H ALA A 14 -2.896 -13.519 -12.049 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.859 -15.902 -10.997 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.318 -14.766 -11.320 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.755 -14.556 -12.724 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.536 -13.224 -11.565 1.00 0.00 H new ATOM 209 N ALA A 15 -1.837 -13.357 -8.917 1.00 0.00 N ATOM 210 CA ALA A 15 -1.666 -13.040 -7.507 1.00 0.00 C ATOM 211 C ALA A 15 -2.406 -14.080 -6.682 1.00 0.00 C ATOM 212 O ALA A 15 -1.975 -14.457 -5.593 1.00 0.00 O ATOM 213 CB ALA A 15 -2.150 -11.630 -7.201 1.00 0.00 C ATOM 0 H ALA A 15 -2.189 -12.591 -9.491 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.607 -13.068 -7.249 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.011 -11.420 -6.141 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.579 -10.913 -7.791 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.207 -11.546 -7.452 1.00 0.00 H new ATOM 219 N ALA A 16 -3.500 -14.579 -7.251 1.00 0.00 N ATOM 220 CA ALA A 16 -4.282 -15.626 -6.615 1.00 0.00 C ATOM 221 C ALA A 16 -3.515 -16.931 -6.687 1.00 0.00 C ATOM 222 O ALA A 16 -3.450 -17.689 -5.724 1.00 0.00 O ATOM 223 CB ALA A 16 -5.612 -15.798 -7.323 1.00 0.00 C ATOM 0 H ALA A 16 -3.863 -14.272 -8.153 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.464 -15.349 -5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.185 -16.586 -6.834 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.171 -14.863 -7.280 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.438 -16.069 -8.364 1.00 0.00 H new ATOM 229 N ASN A 17 -2.943 -17.164 -7.860 1.00 0.00 N ATOM 230 CA ASN A 17 -2.175 -18.364 -8.127 1.00 0.00 C ATOM 231 C ASN A 17 -1.026 -18.517 -7.137 1.00 0.00 C ATOM 232 O ASN A 17 -0.800 -19.611 -6.616 1.00 0.00 O ATOM 233 CB ASN A 17 -1.626 -18.317 -9.554 1.00 0.00 C ATOM 234 CG ASN A 17 -2.669 -18.649 -10.600 1.00 0.00 C ATOM 235 OD1 ASN A 17 -2.585 -19.676 -11.274 1.00 0.00 O ATOM 236 ND2 ASN A 17 -3.660 -17.779 -10.740 1.00 0.00 N ATOM 0 H ASN A 17 -3.001 -16.523 -8.652 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.836 -19.224 -8.015 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.226 -17.322 -9.751 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.796 -19.018 -9.641 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.393 -17.948 -11.428 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.689 -16.941 -10.159 1.00 0.00 H new ATOM 243 N LYS A 18 -0.302 -17.431 -6.877 1.00 0.00 N ATOM 244 CA LYS A 18 0.815 -17.481 -5.953 1.00 0.00 C ATOM 245 C LYS A 18 0.340 -17.896 -4.568 1.00 0.00 C ATOM 246 O LYS A 18 1.065 -18.550 -3.819 1.00 0.00 O ATOM 247 CB LYS A 18 1.502 -16.118 -5.894 1.00 0.00 C ATOM 248 CG LYS A 18 2.631 -16.049 -4.880 1.00 0.00 C ATOM 249 CD LYS A 18 2.505 -14.826 -3.988 1.00 0.00 C ATOM 250 CE LYS A 18 1.178 -14.804 -3.244 1.00 0.00 C ATOM 251 NZ LYS A 18 0.449 -13.521 -3.448 1.00 0.00 N ATOM 0 H LYS A 18 -0.471 -16.515 -7.292 1.00 0.00 H new ATOM 0 HA LYS A 18 1.532 -18.222 -6.306 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.896 -15.876 -6.881 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.760 -15.357 -5.652 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.626 -16.950 -4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.588 -16.024 -5.401 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.325 -14.814 -3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.598 -13.924 -4.593 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.557 -15.633 -3.584 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.356 -14.955 -2.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.257 -13.080 -2.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.030 -12.879 -4.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.450 -13.706 -3.937 1.00 0.00 H new ATOM 265 N VAL A 19 -0.890 -17.517 -4.242 1.00 0.00 N ATOM 266 CA VAL A 19 -1.477 -17.851 -2.958 1.00 0.00 C ATOM 267 C VAL A 19 -1.899 -19.307 -2.930 1.00 0.00 C ATOM 268 O VAL A 19 -1.309 -20.121 -2.226 1.00 0.00 O ATOM 269 CB VAL A 19 -2.698 -16.956 -2.664 1.00 0.00 C ATOM 270 CG1 VAL A 19 -3.317 -17.298 -1.314 1.00 0.00 C ATOM 271 CG2 VAL A 19 -2.305 -15.488 -2.728 1.00 0.00 C ATOM 0 H VAL A 19 -1.500 -16.976 -4.855 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.722 -17.681 -2.191 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.452 -17.144 -3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.176 -16.651 -1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.640 -18.339 -1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.578 -17.149 -0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.177 -14.868 -2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.530 -15.286 -1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.926 -15.256 -3.723 1.00 0.00 H new ATOM 281 N LYS A 20 -2.920 -19.625 -3.712 1.00 0.00 N ATOM 282 CA LYS A 20 -3.444 -20.982 -3.799 1.00 0.00 C ATOM 283 C LYS A 20 -2.360 -22.000 -4.139 1.00 0.00 C ATOM 284 O LYS A 20 -2.547 -23.208 -3.944 1.00 0.00 O ATOM 285 CB LYS A 20 -4.537 -21.069 -4.865 1.00 0.00 C ATOM 286 CG LYS A 20 -4.245 -20.253 -6.117 1.00 0.00 C ATOM 287 CD LYS A 20 -4.503 -21.065 -7.380 1.00 0.00 C ATOM 288 CE LYS A 20 -5.904 -21.655 -7.390 1.00 0.00 C ATOM 289 NZ LYS A 20 -6.002 -22.854 -8.281 1.00 0.00 N ATOM 0 H LYS A 20 -3.408 -18.952 -4.303 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.850 -21.219 -2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.673 -22.113 -5.147 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.479 -20.730 -4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.868 -19.358 -6.124 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.207 -19.919 -6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.369 -20.430 -8.255 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.769 -21.868 -7.453 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.187 -21.934 -6.375 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.614 -20.898 -7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.973 -23.225 -8.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.757 -22.584 -9.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.344 -23.588 -7.949 1.00 0.00 H new ATOM 303 N SER A 21 -1.249 -21.528 -4.688 1.00 0.00 N ATOM 304 CA SER A 21 -0.176 -22.430 -5.093 1.00 0.00 C ATOM 305 C SER A 21 0.817 -22.702 -3.970 1.00 0.00 C ATOM 306 O SER A 21 1.219 -23.840 -3.753 1.00 0.00 O ATOM 307 CB SER A 21 0.565 -21.863 -6.306 1.00 0.00 C ATOM 308 OG SER A 21 1.576 -22.756 -6.746 1.00 0.00 O ATOM 0 H SER A 21 -1.067 -20.540 -4.862 1.00 0.00 H new ATOM 0 HA SER A 21 -0.645 -23.379 -5.353 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.141 -21.680 -7.116 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.010 -20.902 -6.048 1.00 0.00 H new ATOM 0 HG SER A 21 2.035 -22.373 -7.523 1.00 0.00 H new ATOM 314 N LEU A 22 1.222 -21.657 -3.259 1.00 0.00 N ATOM 315 CA LEU A 22 2.179 -21.828 -2.177 1.00 0.00 C ATOM 316 C LEU A 22 1.471 -22.279 -0.907 1.00 0.00 C ATOM 317 O LEU A 22 2.075 -22.919 -0.048 1.00 0.00 O ATOM 318 CB LEU A 22 3.009 -20.535 -1.960 1.00 0.00 C ATOM 319 CG LEU A 22 2.630 -19.645 -0.769 1.00 0.00 C ATOM 320 CD1 LEU A 22 1.223 -19.120 -0.938 1.00 0.00 C ATOM 321 CD2 LEU A 22 2.784 -20.384 0.557 1.00 0.00 C ATOM 0 H LEU A 22 0.908 -20.698 -3.409 1.00 0.00 H new ATOM 0 HA LEU A 22 2.884 -22.612 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.055 -20.821 -1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.939 -19.933 -2.866 1.00 0.00 H new ATOM 0 HG LEU A 22 3.318 -18.800 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.965 -18.490 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.161 -18.534 -1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.527 -19.957 -0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.507 -19.722 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.135 -21.260 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.820 -20.699 0.680 1.00 0.00 H new ATOM 333 N ILE A 23 0.187 -21.955 -0.791 1.00 0.00 N ATOM 334 CA ILE A 23 -0.582 -22.353 0.368 1.00 0.00 C ATOM 335 C ILE A 23 -0.879 -23.837 0.305 1.00 0.00 C ATOM 336 O ILE A 23 -0.639 -24.575 1.258 1.00 0.00 O ATOM 337 CB ILE A 23 -1.887 -21.559 0.473 1.00 0.00 C ATOM 338 CG1 ILE A 23 -2.712 -21.734 -0.794 1.00 0.00 C ATOM 339 CG2 ILE A 23 -1.593 -20.092 0.706 1.00 0.00 C ATOM 340 CD1 ILE A 23 -3.767 -22.811 -0.691 1.00 0.00 C ATOM 0 H ILE A 23 -0.335 -21.420 -1.485 1.00 0.00 H new ATOM 0 HA ILE A 23 0.011 -22.139 1.257 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.459 -21.939 1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.195 -20.787 -1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.044 -21.971 -1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.530 -19.540 0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.031 -19.976 1.633 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.006 -19.702 -0.125 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.313 -22.876 -1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.290 -23.768 -0.481 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.460 -22.566 0.114 1.00 0.00 H new ATOM 352 N SER A 24 -1.362 -24.268 -0.844 1.00 0.00 N ATOM 353 CA SER A 24 -1.649 -25.679 -1.055 1.00 0.00 C ATOM 354 C SER A 24 -0.379 -26.480 -0.829 1.00 0.00 C ATOM 355 O SER A 24 -0.425 -27.674 -0.505 1.00 0.00 O ATOM 356 CB SER A 24 -2.171 -25.910 -2.471 1.00 0.00 C ATOM 357 OG SER A 24 -3.585 -25.846 -2.512 1.00 0.00 O ATOM 0 H SER A 24 -1.564 -23.668 -1.643 1.00 0.00 H new ATOM 0 HA SER A 24 -2.417 -26.002 -0.352 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.751 -25.162 -3.143 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.838 -26.884 -2.830 1.00 0.00 H new ATOM 0 HG SER A 24 -3.893 -25.996 -3.430 1.00 0.00 H new ATOM 363 N GLU A 25 0.757 -25.808 -0.994 1.00 0.00 N ATOM 364 CA GLU A 25 2.050 -26.425 -0.801 1.00 0.00 C ATOM 365 C GLU A 25 2.388 -26.479 0.682 1.00 0.00 C ATOM 366 O GLU A 25 3.222 -27.281 1.103 1.00 0.00 O ATOM 367 CB GLU A 25 3.133 -25.655 -1.560 1.00 0.00 C ATOM 368 CG GLU A 25 4.090 -26.548 -2.331 1.00 0.00 C ATOM 369 CD GLU A 25 5.541 -26.288 -1.976 1.00 0.00 C ATOM 370 OE1 GLU A 25 6.042 -25.189 -2.289 1.00 0.00 O ATOM 371 OE2 GLU A 25 6.175 -27.192 -1.384 1.00 0.00 O ATOM 0 H GLU A 25 0.799 -24.825 -1.264 1.00 0.00 H new ATOM 0 HA GLU A 25 2.010 -27.441 -1.193 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.656 -24.964 -2.255 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.702 -25.053 -0.852 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.851 -27.592 -2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.947 -26.391 -3.400 1.00 0.00 H new ATOM 378 N GLU A 26 1.720 -25.648 1.474 1.00 0.00 N ATOM 379 CA GLU A 26 1.945 -25.628 2.905 1.00 0.00 C ATOM 380 C GLU A 26 1.176 -26.746 3.568 1.00 0.00 C ATOM 381 O GLU A 26 1.459 -27.122 4.705 1.00 0.00 O ATOM 382 CB GLU A 26 1.538 -24.285 3.501 1.00 0.00 C ATOM 383 CG GLU A 26 2.363 -23.114 2.984 1.00 0.00 C ATOM 384 CD GLU A 26 3.546 -22.797 3.863 1.00 0.00 C ATOM 385 OE1 GLU A 26 3.384 -22.010 4.824 1.00 0.00 O ATOM 386 OE2 GLU A 26 4.642 -23.335 3.606 1.00 0.00 O ATOM 0 H GLU A 26 1.021 -24.982 1.145 1.00 0.00 H new ATOM 0 HA GLU A 26 3.010 -25.773 3.086 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.486 -24.103 3.281 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.633 -24.335 4.586 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.715 -23.340 1.977 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.726 -22.233 2.909 1.00 0.00 H new ATOM 393 N GLU A 27 0.183 -27.267 2.854 1.00 0.00 N ATOM 394 CA GLU A 27 -0.660 -28.337 3.361 1.00 0.00 C ATOM 395 C GLU A 27 -1.735 -27.759 4.262 1.00 0.00 C ATOM 396 O GLU A 27 -2.441 -28.484 4.955 1.00 0.00 O ATOM 397 CB GLU A 27 0.165 -29.386 4.128 1.00 0.00 C ATOM 398 CG GLU A 27 -0.334 -30.803 3.944 1.00 0.00 C ATOM 399 CD GLU A 27 0.756 -31.838 4.167 1.00 0.00 C ATOM 400 OE1 GLU A 27 1.864 -31.661 3.618 1.00 0.00 O ATOM 401 OE2 GLU A 27 0.499 -32.819 4.883 1.00 0.00 O ATOM 0 H GLU A 27 -0.057 -26.959 1.912 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.126 -28.835 2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.203 -29.330 3.800 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.152 -29.140 5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.154 -30.989 4.638 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.736 -30.915 2.937 1.00 0.00 H new ATOM 408 N ASN A 28 -1.867 -26.426 4.240 1.00 0.00 N ATOM 409 CA ASN A 28 -2.878 -25.768 5.051 1.00 0.00 C ATOM 410 C ASN A 28 -4.241 -26.312 4.720 1.00 0.00 C ATOM 411 O ASN A 28 -4.844 -27.040 5.511 1.00 0.00 O ATOM 412 CB ASN A 28 -2.899 -24.250 4.843 1.00 0.00 C ATOM 413 CG ASN A 28 -1.580 -23.669 4.389 1.00 0.00 C ATOM 414 OD1 ASN A 28 -0.610 -23.620 5.142 1.00 0.00 O ATOM 415 ND2 ASN A 28 -1.550 -23.242 3.130 1.00 0.00 N ATOM 0 H ASN A 28 -1.293 -25.798 3.677 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.623 -25.969 6.091 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.664 -24.006 4.106 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.192 -23.771 5.777 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.691 -22.850 2.745 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.386 -23.307 2.549 1.00 0.00 H new ATOM 422 N THR A 29 -4.734 -25.959 3.524 1.00 0.00 N ATOM 423 CA THR A 29 -6.050 -26.403 3.080 1.00 0.00 C ATOM 424 C THR A 29 -6.626 -25.517 1.978 1.00 0.00 C ATOM 425 O THR A 29 -7.156 -26.007 0.982 1.00 0.00 O ATOM 426 CB THR A 29 -7.034 -26.402 4.247 1.00 0.00 C ATOM 427 OG1 THR A 29 -8.371 -26.453 3.802 1.00 0.00 O ATOM 428 CG2 THR A 29 -6.884 -25.163 5.118 1.00 0.00 C ATOM 0 H THR A 29 -4.239 -25.370 2.854 1.00 0.00 H new ATOM 0 HA THR A 29 -5.914 -27.410 2.685 1.00 0.00 H new ATOM 0 HB THR A 29 -6.799 -27.293 4.829 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.973 -26.452 4.575 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.603 -25.204 5.936 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.874 -25.125 5.525 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.067 -24.272 4.518 1.00 0.00 H new ATOM 436 N ASP A 30 -6.550 -24.199 2.185 1.00 0.00 N ATOM 437 CA ASP A 30 -7.095 -23.235 1.236 1.00 0.00 C ATOM 438 C ASP A 30 -6.977 -21.851 1.842 1.00 0.00 C ATOM 439 O ASP A 30 -7.965 -21.217 2.218 1.00 0.00 O ATOM 440 CB ASP A 30 -8.558 -23.546 0.915 1.00 0.00 C ATOM 441 CG ASP A 30 -8.718 -24.246 -0.422 1.00 0.00 C ATOM 442 OD1 ASP A 30 -8.053 -23.823 -1.393 1.00 0.00 O ATOM 443 OD2 ASP A 30 -9.507 -25.207 -0.497 1.00 0.00 O ATOM 0 H ASP A 30 -6.114 -23.778 3.006 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.535 -23.289 0.303 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.975 -24.173 1.703 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.131 -22.619 0.908 1.00 0.00 H new ATOM 448 N LEU A 31 -5.741 -21.418 1.973 1.00 0.00 N ATOM 449 CA LEU A 31 -5.409 -20.149 2.573 1.00 0.00 C ATOM 450 C LEU A 31 -6.035 -18.967 1.861 1.00 0.00 C ATOM 451 O LEU A 31 -6.339 -19.006 0.673 1.00 0.00 O ATOM 452 CB LEU A 31 -3.898 -20.008 2.582 1.00 0.00 C ATOM 453 CG LEU A 31 -3.273 -19.944 3.961 1.00 0.00 C ATOM 454 CD1 LEU A 31 -3.935 -18.855 4.773 1.00 0.00 C ATOM 455 CD2 LEU A 31 -3.400 -21.274 4.662 1.00 0.00 C ATOM 0 H LEU A 31 -4.928 -21.948 1.660 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.814 -20.141 3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.466 -20.850 2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.628 -19.105 2.034 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.213 -19.714 3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.482 -18.813 5.764 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.802 -17.896 4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.999 -19.069 4.870 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.946 -21.209 5.651 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.454 -21.533 4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.892 -22.042 4.079 1.00 0.00 H new ATOM 467 N LYS A 32 -6.197 -17.898 2.629 1.00 0.00 N ATOM 468 CA LYS A 32 -6.759 -16.653 2.137 1.00 0.00 C ATOM 469 C LYS A 32 -5.707 -15.554 2.225 1.00 0.00 C ATOM 470 O LYS A 32 -5.180 -15.280 3.304 1.00 0.00 O ATOM 471 CB LYS A 32 -7.984 -16.270 2.970 1.00 0.00 C ATOM 472 CG LYS A 32 -9.085 -17.317 2.965 1.00 0.00 C ATOM 473 CD LYS A 32 -9.786 -17.395 4.313 1.00 0.00 C ATOM 474 CE LYS A 32 -10.244 -16.025 4.791 1.00 0.00 C ATOM 475 NZ LYS A 32 -10.190 -15.909 6.274 1.00 0.00 N ATOM 0 H LYS A 32 -5.940 -17.873 3.616 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.065 -16.779 1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.670 -16.092 3.999 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.388 -15.331 2.593 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.812 -17.078 2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.662 -18.290 2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.646 -18.060 4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.110 -17.830 5.050 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.615 -15.255 4.343 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.263 -15.843 4.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.131 -15.656 6.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.894 -16.818 6.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.507 -15.171 6.540 1.00 0.00 H new ATOM 489 N LEU A 33 -5.389 -14.934 1.096 1.00 0.00 N ATOM 490 CA LEU A 33 -4.388 -13.884 1.073 1.00 0.00 C ATOM 491 C LEU A 33 -4.788 -12.732 1.988 1.00 0.00 C ATOM 492 O LEU A 33 -5.967 -12.406 2.115 1.00 0.00 O ATOM 493 CB LEU A 33 -4.191 -13.383 -0.360 1.00 0.00 C ATOM 494 CG LEU A 33 -2.895 -12.607 -0.619 1.00 0.00 C ATOM 495 CD1 LEU A 33 -2.991 -11.198 -0.058 1.00 0.00 C ATOM 496 CD2 LEU A 33 -1.695 -13.341 -0.037 1.00 0.00 C ATOM 0 H LEU A 33 -5.809 -15.141 0.190 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.447 -14.294 1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.220 -14.240 -1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.034 -12.744 -0.621 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.754 -12.535 -1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.061 -10.665 -0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.818 -10.672 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.164 -11.245 1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.788 -12.769 -0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.825 -13.455 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.611 -14.325 -0.499 1.00 0.00 H new ATOM 508 N ARG A 34 -3.792 -12.112 2.612 1.00 0.00 N ATOM 509 CA ARG A 34 -4.026 -10.987 3.504 1.00 0.00 C ATOM 510 C ARG A 34 -2.964 -9.923 3.280 1.00 0.00 C ATOM 511 O ARG A 34 -1.848 -10.017 3.789 1.00 0.00 O ATOM 512 CB ARG A 34 -4.035 -11.441 4.963 1.00 0.00 C ATOM 513 CG ARG A 34 -4.224 -10.304 5.956 1.00 0.00 C ATOM 514 CD ARG A 34 -2.942 -10.010 6.720 1.00 0.00 C ATOM 515 NE ARG A 34 -3.209 -9.414 8.027 1.00 0.00 N ATOM 516 CZ ARG A 34 -2.277 -8.851 8.784 1.00 0.00 C ATOM 517 NH1 ARG A 34 -1.014 -8.808 8.375 1.00 0.00 N ATOM 518 NH2 ARG A 34 -2.601 -8.334 9.963 1.00 0.00 N ATOM 0 H ARG A 34 -2.811 -12.373 2.514 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.005 -10.562 3.281 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.833 -12.170 5.103 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.096 -11.950 5.182 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.547 -9.407 5.427 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.016 -10.562 6.659 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.378 -10.933 6.851 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.317 -9.335 6.134 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.167 -9.432 8.377 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.756 -9.210 7.474 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.302 -8.373 8.962 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.567 -8.370 10.287 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.884 -7.901 10.545 1.00 0.00 H new ATOM 532 N VAL A 35 -3.312 -8.929 2.484 1.00 0.00 N ATOM 533 CA VAL A 35 -2.389 -7.857 2.143 1.00 0.00 C ATOM 534 C VAL A 35 -2.166 -6.869 3.277 1.00 0.00 C ATOM 535 O VAL A 35 -3.012 -6.681 4.151 1.00 0.00 O ATOM 536 CB VAL A 35 -2.887 -7.069 0.927 1.00 0.00 C ATOM 537 CG1 VAL A 35 -1.805 -6.138 0.410 1.00 0.00 C ATOM 538 CG2 VAL A 35 -3.352 -8.010 -0.162 1.00 0.00 C ATOM 0 H VAL A 35 -4.234 -8.840 2.057 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.444 -8.354 1.926 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.736 -6.460 1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.180 -5.588 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.525 -5.435 1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.932 -6.722 0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.702 -7.432 -1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.524 -8.648 -0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.166 -8.629 0.215 1.00 0.00 H new ATOM 548 N TYR A 36 -1.014 -6.217 3.210 1.00 0.00 N ATOM 549 CA TYR A 36 -0.619 -5.197 4.172 1.00 0.00 C ATOM 550 C TYR A 36 0.136 -4.095 3.439 1.00 0.00 C ATOM 551 O TYR A 36 0.308 -4.165 2.222 1.00 0.00 O ATOM 552 CB TYR A 36 0.250 -5.788 5.288 1.00 0.00 C ATOM 553 CG TYR A 36 1.008 -7.031 4.885 1.00 0.00 C ATOM 554 CD1 TYR A 36 0.341 -8.225 4.648 1.00 0.00 C ATOM 555 CD2 TYR A 36 2.389 -7.010 4.740 1.00 0.00 C ATOM 556 CE1 TYR A 36 1.027 -9.364 4.278 1.00 0.00 C ATOM 557 CE2 TYR A 36 3.085 -8.145 4.370 1.00 0.00 C ATOM 558 CZ TYR A 36 2.399 -9.320 4.140 1.00 0.00 C ATOM 559 OH TYR A 36 3.086 -10.453 3.771 1.00 0.00 O ATOM 0 H TYR A 36 -0.321 -6.382 2.480 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.514 -4.787 4.640 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.962 -5.032 5.618 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.385 -6.023 6.142 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.733 -8.263 4.755 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.928 -6.091 4.919 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.493 -10.285 4.097 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.159 -8.113 4.262 1.00 0.00 H new ATOM 0 HH TYR A 36 4.044 -10.252 3.718 1.00 0.00 H new ATOM 569 N ILE A 37 0.579 -3.079 4.163 1.00 0.00 N ATOM 570 CA ILE A 37 1.303 -1.981 3.536 1.00 0.00 C ATOM 571 C ILE A 37 2.809 -2.228 3.548 1.00 0.00 C ATOM 572 O ILE A 37 3.452 -2.184 4.596 1.00 0.00 O ATOM 573 CB ILE A 37 0.993 -0.633 4.218 1.00 0.00 C ATOM 574 CG1 ILE A 37 -0.438 -0.199 3.900 1.00 0.00 C ATOM 575 CG2 ILE A 37 1.977 0.436 3.764 1.00 0.00 C ATOM 576 CD1 ILE A 37 -0.685 0.014 2.423 1.00 0.00 C ATOM 0 H ILE A 37 0.453 -2.990 5.171 1.00 0.00 H new ATOM 0 HA ILE A 37 0.964 -1.932 2.501 1.00 0.00 H new ATOM 0 HB ILE A 37 1.094 -0.760 5.296 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.130 -0.954 4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.657 0.725 4.435 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.742 1.380 4.256 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.991 0.133 4.026 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.904 0.562 2.684 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.719 0.320 2.268 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.017 0.790 2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.497 -0.915 1.885 1.00 0.00 H new ATOM 672 N GLN A 46 3.226 -1.867 -4.017 1.00 0.00 N ATOM 673 CA GLN A 46 3.457 -3.303 -3.928 1.00 0.00 C ATOM 674 C GLN A 46 2.493 -3.966 -2.955 1.00 0.00 C ATOM 675 O GLN A 46 1.677 -4.792 -3.351 1.00 0.00 O ATOM 676 CB GLN A 46 4.897 -3.586 -3.512 1.00 0.00 C ATOM 677 CG GLN A 46 5.827 -3.788 -4.693 1.00 0.00 C ATOM 678 CD GLN A 46 7.284 -3.806 -4.283 1.00 0.00 C ATOM 679 OE1 GLN A 46 7.968 -4.821 -4.411 1.00 0.00 O ATOM 680 NE2 GLN A 46 7.766 -2.674 -3.785 1.00 0.00 N ATOM 0 HA GLN A 46 3.280 -3.726 -4.917 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.264 -2.758 -2.906 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.919 -4.476 -2.883 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.580 -4.726 -5.190 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.666 -2.991 -5.419 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.161 -1.857 -3.697 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.741 -2.621 -3.490 1.00 0.00 H new ATOM 689 N TYR A 47 2.593 -3.608 -1.680 1.00 0.00 N ATOM 690 CA TYR A 47 1.729 -4.184 -0.654 1.00 0.00 C ATOM 691 C TYR A 47 2.113 -5.633 -0.386 1.00 0.00 C ATOM 692 O TYR A 47 2.010 -6.490 -1.264 1.00 0.00 O ATOM 693 CB TYR A 47 0.260 -4.090 -1.068 1.00 0.00 C ATOM 694 CG TYR A 47 -0.171 -2.691 -1.436 1.00 0.00 C ATOM 695 CD1 TYR A 47 -0.059 -2.227 -2.739 1.00 0.00 C ATOM 696 CD2 TYR A 47 -0.690 -1.834 -0.476 1.00 0.00 C ATOM 697 CE1 TYR A 47 -0.452 -0.946 -3.076 1.00 0.00 C ATOM 698 CE2 TYR A 47 -1.085 -0.552 -0.803 1.00 0.00 C ATOM 699 CZ TYR A 47 -0.964 -0.113 -2.105 1.00 0.00 C ATOM 700 OH TYR A 47 -1.356 1.163 -2.435 1.00 0.00 O ATOM 0 H TYR A 47 3.263 -2.922 -1.331 1.00 0.00 H new ATOM 0 HA TYR A 47 1.863 -3.613 0.265 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.087 -4.751 -1.917 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.364 -4.451 -0.251 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.342 -2.878 -3.502 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.787 -2.175 0.544 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.358 -0.600 -4.095 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.486 0.103 -0.044 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.662 1.181 -3.366 1.00 0.00 H new ATOM 710 N GLY A 48 2.572 -5.892 0.832 1.00 0.00 N ATOM 711 CA GLY A 48 2.987 -7.232 1.205 1.00 0.00 C ATOM 712 C GLY A 48 1.826 -8.196 1.346 1.00 0.00 C ATOM 713 O GLY A 48 0.834 -7.894 2.005 1.00 0.00 O ATOM 0 H GLY A 48 2.665 -5.195 1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.679 -7.614 0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.532 -7.188 2.148 1.00 0.00 H new ATOM 717 N PHE A 49 1.950 -9.355 0.706 1.00 0.00 N ATOM 718 CA PHE A 49 0.909 -10.372 0.740 1.00 0.00 C ATOM 719 C PHE A 49 1.270 -11.544 1.647 1.00 0.00 C ATOM 720 O PHE A 49 2.373 -12.085 1.576 1.00 0.00 O ATOM 721 CB PHE A 49 0.660 -10.901 -0.668 1.00 0.00 C ATOM 722 CG PHE A 49 -0.282 -10.055 -1.463 1.00 0.00 C ATOM 723 CD1 PHE A 49 -0.246 -8.677 -1.357 1.00 0.00 C ATOM 724 CD2 PHE A 49 -1.209 -10.640 -2.303 1.00 0.00 C ATOM 725 CE1 PHE A 49 -1.118 -7.894 -2.077 1.00 0.00 C ATOM 726 CE2 PHE A 49 -2.090 -9.865 -3.027 1.00 0.00 C ATOM 727 CZ PHE A 49 -2.045 -8.487 -2.915 1.00 0.00 C ATOM 0 H PHE A 49 2.768 -9.612 0.154 1.00 0.00 H new ATOM 0 HA PHE A 49 0.013 -9.898 1.140 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.611 -10.967 -1.196 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.260 -11.913 -0.602 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.475 -8.210 -0.702 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.244 -11.716 -2.394 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.079 -6.818 -1.988 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.813 -10.332 -3.679 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.732 -7.875 -3.481 1.00 0.00 H new ATOM 737 N THR A 50 0.309 -11.953 2.467 1.00 0.00 N ATOM 738 CA THR A 50 0.489 -13.093 3.361 1.00 0.00 C ATOM 739 C THR A 50 -0.691 -14.046 3.209 1.00 0.00 C ATOM 740 O THR A 50 -1.728 -13.674 2.663 1.00 0.00 O ATOM 741 CB THR A 50 0.619 -12.646 4.820 1.00 0.00 C ATOM 742 OG1 THR A 50 1.173 -13.678 5.607 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.701 -12.255 5.440 1.00 0.00 C ATOM 0 H THR A 50 -0.608 -11.510 2.532 1.00 0.00 H new ATOM 0 HA THR A 50 1.413 -13.602 3.087 1.00 0.00 H new ATOM 0 HB THR A 50 1.268 -11.770 4.802 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.251 -13.375 6.536 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.541 -11.948 6.474 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.136 -11.428 4.879 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.381 -13.107 5.415 1.00 0.00 H new ATOM 751 N PHE A 51 -0.536 -15.271 3.684 1.00 0.00 N ATOM 752 CA PHE A 51 -1.596 -16.257 3.579 1.00 0.00 C ATOM 753 C PHE A 51 -2.212 -16.506 4.948 1.00 0.00 C ATOM 754 O PHE A 51 -1.663 -17.222 5.779 1.00 0.00 O ATOM 755 CB PHE A 51 -1.031 -17.522 2.930 1.00 0.00 C ATOM 756 CG PHE A 51 -0.079 -17.170 1.819 1.00 0.00 C ATOM 757 CD1 PHE A 51 -0.558 -16.765 0.582 1.00 0.00 C ATOM 758 CD2 PHE A 51 1.287 -17.186 2.033 1.00 0.00 C ATOM 759 CE1 PHE A 51 0.312 -16.382 -0.421 1.00 0.00 C ATOM 760 CE2 PHE A 51 2.165 -16.814 1.031 1.00 0.00 C ATOM 761 CZ PHE A 51 1.676 -16.408 -0.197 1.00 0.00 C ATOM 0 H PHE A 51 0.311 -15.604 4.144 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.403 -15.895 2.942 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.516 -18.123 3.680 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.846 -18.131 2.538 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.623 -16.749 0.401 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.673 -17.493 2.994 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.073 -16.063 -1.378 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.230 -16.841 1.207 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.358 -16.112 -0.980 1.00 0.00 H new ATOM 771 N ASP A 52 -3.351 -15.854 5.167 1.00 0.00 N ATOM 772 CA ASP A 52 -4.078 -15.927 6.430 1.00 0.00 C ATOM 773 C ASP A 52 -5.463 -16.550 6.256 1.00 0.00 C ATOM 774 O ASP A 52 -6.372 -15.919 5.716 1.00 0.00 O ATOM 775 CB ASP A 52 -4.185 -14.518 7.027 1.00 0.00 C ATOM 776 CG ASP A 52 -5.195 -14.411 8.149 1.00 0.00 C ATOM 777 OD1 ASP A 52 -6.403 -14.560 7.886 1.00 0.00 O ATOM 778 OD2 ASP A 52 -4.772 -14.181 9.304 1.00 0.00 O ATOM 0 H ASP A 52 -3.797 -15.258 4.470 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.527 -16.575 7.112 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.207 -14.215 7.400 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.456 -13.817 6.237 1.00 0.00 H new ATOM 783 N GLU A 53 -5.607 -17.793 6.694 1.00 0.00 N ATOM 784 CA GLU A 53 -6.862 -18.533 6.579 1.00 0.00 C ATOM 785 C GLU A 53 -7.867 -18.190 7.678 1.00 0.00 C ATOM 786 O GLU A 53 -9.059 -18.444 7.529 1.00 0.00 O ATOM 787 CB GLU A 53 -6.585 -20.036 6.612 1.00 0.00 C ATOM 788 CG GLU A 53 -7.165 -20.787 5.435 1.00 0.00 C ATOM 789 CD GLU A 53 -8.334 -21.676 5.818 1.00 0.00 C ATOM 790 OE1 GLU A 53 -8.859 -21.511 6.938 1.00 0.00 O ATOM 791 OE2 GLU A 53 -8.725 -22.522 4.995 1.00 0.00 O ATOM 0 H GLU A 53 -4.857 -18.320 7.141 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.306 -18.240 5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.507 -20.197 6.639 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.993 -20.451 7.533 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.491 -20.072 4.680 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.385 -21.397 4.980 1.00 0.00 H new ATOM 881 N LEU A 60 -10.709 -6.035 5.571 1.00 0.00 N ATOM 882 CA LEU A 60 -11.668 -6.172 4.478 1.00 0.00 C ATOM 883 C LEU A 60 -11.270 -7.359 3.616 1.00 0.00 C ATOM 884 O LEU A 60 -10.098 -7.709 3.556 1.00 0.00 O ATOM 885 CB LEU A 60 -11.729 -4.892 3.635 1.00 0.00 C ATOM 886 CG LEU A 60 -11.819 -3.586 4.434 1.00 0.00 C ATOM 887 CD1 LEU A 60 -12.435 -2.489 3.581 1.00 0.00 C ATOM 888 CD2 LEU A 60 -12.625 -3.780 5.710 1.00 0.00 C ATOM 0 HA LEU A 60 -12.661 -6.339 4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.843 -4.851 3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.592 -4.954 2.972 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.808 -3.289 4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.493 -1.567 4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.817 -2.325 2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.437 -2.787 3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.673 -2.838 6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.634 -4.104 5.457 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.146 -4.537 6.331 1.00 0.00 H new ATOM 900 N THR A 61 -12.247 -8.013 2.992 1.00 0.00 N ATOM 901 CA THR A 61 -11.937 -9.194 2.198 1.00 0.00 C ATOM 902 C THR A 61 -12.543 -9.179 0.796 1.00 0.00 C ATOM 903 O THR A 61 -13.713 -8.853 0.599 1.00 0.00 O ATOM 904 CB THR A 61 -12.377 -10.454 2.947 1.00 0.00 C ATOM 905 OG1 THR A 61 -13.721 -10.789 2.634 1.00 0.00 O ATOM 906 CG2 THR A 61 -12.276 -10.323 4.452 1.00 0.00 C ATOM 0 H THR A 61 -13.233 -7.753 3.019 1.00 0.00 H new ATOM 0 HA THR A 61 -10.856 -9.191 2.057 1.00 0.00 H new ATOM 0 HB THR A 61 -11.691 -11.235 2.618 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.813 -11.764 2.589 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.603 -11.251 4.921 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.242 -10.120 4.731 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.910 -9.503 4.789 1.00 0.00 H new ATOM 914 N ILE A 62 -11.716 -9.578 -0.158 1.00 0.00 N ATOM 915 CA ILE A 62 -12.081 -9.680 -1.561 1.00 0.00 C ATOM 916 C ILE A 62 -11.757 -11.094 -2.043 1.00 0.00 C ATOM 917 O ILE A 62 -10.635 -11.556 -1.880 1.00 0.00 O ATOM 918 CB ILE A 62 -11.299 -8.665 -2.429 1.00 0.00 C ATOM 919 CG1 ILE A 62 -10.000 -8.229 -1.733 1.00 0.00 C ATOM 920 CG2 ILE A 62 -12.168 -7.465 -2.753 1.00 0.00 C ATOM 921 CD1 ILE A 62 -10.206 -7.280 -0.567 1.00 0.00 C ATOM 0 H ILE A 62 -10.749 -9.846 0.027 1.00 0.00 H new ATOM 0 HA ILE A 62 -13.144 -9.461 -1.659 1.00 0.00 H new ATOM 0 HB ILE A 62 -11.027 -9.155 -3.364 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.477 -9.116 -1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.351 -7.750 -2.466 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.603 -6.761 -3.364 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -13.052 -7.793 -3.301 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -12.475 -6.978 -1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -9.240 -7.022 -0.133 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -10.699 -6.374 -0.918 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.827 -7.761 0.189 1.00 0.00 H new ATOM 933 N GLU A 63 -12.728 -11.795 -2.612 1.00 0.00 N ATOM 934 CA GLU A 63 -12.487 -13.162 -3.071 1.00 0.00 C ATOM 935 C GLU A 63 -11.378 -13.206 -4.117 1.00 0.00 C ATOM 936 O GLU A 63 -11.143 -12.230 -4.830 1.00 0.00 O ATOM 937 CB GLU A 63 -13.763 -13.766 -3.641 1.00 0.00 C ATOM 938 CG GLU A 63 -13.726 -15.282 -3.744 1.00 0.00 C ATOM 939 CD GLU A 63 -14.793 -15.829 -4.671 1.00 0.00 C ATOM 940 OE1 GLU A 63 -15.811 -15.140 -4.875 1.00 0.00 O ATOM 941 OE2 GLU A 63 -14.607 -16.947 -5.195 1.00 0.00 O ATOM 0 H GLU A 63 -13.675 -11.450 -2.767 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.169 -13.750 -2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.605 -13.473 -3.014 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.942 -13.347 -4.631 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.745 -15.594 -4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.856 -15.713 -2.751 1.00 0.00 H new ATOM 948 N LYS A 64 -10.691 -14.343 -4.196 1.00 0.00 N ATOM 949 CA LYS A 64 -9.600 -14.510 -5.146 1.00 0.00 C ATOM 950 C LYS A 64 -9.916 -15.602 -6.162 1.00 0.00 C ATOM 951 O LYS A 64 -10.891 -16.337 -6.021 1.00 0.00 O ATOM 952 CB LYS A 64 -8.299 -14.826 -4.404 1.00 0.00 C ATOM 953 CG LYS A 64 -7.904 -13.732 -3.426 1.00 0.00 C ATOM 954 CD LYS A 64 -6.516 -13.948 -2.833 1.00 0.00 C ATOM 955 CE LYS A 64 -5.433 -13.895 -3.894 1.00 0.00 C ATOM 956 NZ LYS A 64 -4.323 -12.984 -3.507 1.00 0.00 N ATOM 0 H LYS A 64 -10.872 -15.160 -3.613 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.477 -13.574 -5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.412 -15.767 -3.865 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.497 -14.968 -5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.932 -12.768 -3.934 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.637 -13.689 -2.620 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.322 -13.187 -2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.483 -14.914 -2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.039 -14.897 -4.061 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.865 -13.561 -4.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.133 -12.319 -4.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.591 -12.453 -2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.467 -13.542 -3.313 1.00 0.00 H new ATOM 970 N SER A 65 -9.083 -15.684 -7.192 1.00 0.00 N ATOM 971 CA SER A 65 -9.255 -16.663 -8.260 1.00 0.00 C ATOM 972 C SER A 65 -9.469 -18.073 -7.720 1.00 0.00 C ATOM 973 O SER A 65 -10.296 -18.816 -8.234 1.00 0.00 O ATOM 974 CB SER A 65 -8.031 -16.640 -9.172 1.00 0.00 C ATOM 975 OG SER A 65 -8.413 -16.623 -10.539 1.00 0.00 O ATOM 0 H SER A 65 -8.272 -15.077 -7.311 1.00 0.00 H new ATOM 0 HA SER A 65 -10.149 -16.389 -8.821 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.424 -15.762 -8.950 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.411 -17.514 -8.975 1.00 0.00 H new ATOM 0 HG SER A 65 -8.049 -17.413 -10.990 1.00 0.00 H new ATOM 981 N GLY A 66 -8.711 -18.429 -6.692 1.00 0.00 N ATOM 982 CA GLY A 66 -8.830 -19.757 -6.123 1.00 0.00 C ATOM 983 C GLY A 66 -8.879 -19.761 -4.608 1.00 0.00 C ATOM 984 O GLY A 66 -8.786 -20.813 -3.979 1.00 0.00 O ATOM 0 H GLY A 66 -8.020 -17.827 -6.244 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.733 -20.230 -6.509 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.986 -20.363 -6.453 1.00 0.00 H new ATOM 988 N VAL A 67 -9.021 -18.583 -4.022 1.00 0.00 N ATOM 989 CA VAL A 67 -9.075 -18.452 -2.568 1.00 0.00 C ATOM 990 C VAL A 67 -9.832 -17.182 -2.169 1.00 0.00 C ATOM 991 O VAL A 67 -10.767 -16.773 -2.859 1.00 0.00 O ATOM 992 CB VAL A 67 -7.653 -18.439 -1.968 1.00 0.00 C ATOM 993 CG1 VAL A 67 -6.883 -19.677 -2.395 1.00 0.00 C ATOM 994 CG2 VAL A 67 -6.911 -17.185 -2.381 1.00 0.00 C ATOM 0 H VAL A 67 -9.101 -17.701 -4.528 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.610 -19.314 -2.169 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.740 -18.444 -0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.883 -19.651 -1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.405 -20.568 -2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.808 -19.702 -3.482 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.911 -17.195 -1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.836 -17.148 -3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.452 -16.308 -2.025 1.00 0.00 H new ATOM 1004 N GLN A 68 -9.427 -16.551 -1.066 1.00 0.00 N ATOM 1005 CA GLN A 68 -10.074 -15.328 -0.608 1.00 0.00 C ATOM 1006 C GLN A 68 -9.029 -14.319 -0.125 1.00 0.00 C ATOM 1007 O GLN A 68 -8.121 -14.663 0.629 1.00 0.00 O ATOM 1008 CB GLN A 68 -11.107 -15.666 0.480 1.00 0.00 C ATOM 1009 CG GLN A 68 -10.961 -14.900 1.785 1.00 0.00 C ATOM 1010 CD GLN A 68 -11.824 -13.662 1.839 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -12.430 -13.362 2.868 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -11.902 -12.938 0.734 1.00 0.00 N ATOM 0 H GLN A 68 -8.657 -16.868 -0.477 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.606 -14.861 -1.437 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.104 -15.480 0.080 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.044 -16.732 0.696 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.222 -15.555 2.616 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.917 -14.615 1.919 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.384 -13.220 -0.098 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.480 -12.098 0.715 1.00 0.00 H new ATOM 1021 N LEU A 69 -9.156 -13.075 -0.581 1.00 0.00 N ATOM 1022 CA LEU A 69 -8.216 -12.020 -0.206 1.00 0.00 C ATOM 1023 C LEU A 69 -8.775 -11.161 0.922 1.00 0.00 C ATOM 1024 O LEU A 69 -9.955 -10.827 0.928 1.00 0.00 O ATOM 1025 CB LEU A 69 -7.900 -11.138 -1.421 1.00 0.00 C ATOM 1026 CG LEU A 69 -7.031 -9.905 -1.152 1.00 0.00 C ATOM 1027 CD1 LEU A 69 -5.959 -10.197 -0.115 1.00 0.00 C ATOM 1028 CD2 LEU A 69 -6.387 -9.440 -2.443 1.00 0.00 C ATOM 0 H LEU A 69 -9.900 -12.772 -1.210 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.300 -12.495 0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.401 -11.752 -2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.842 -10.805 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.674 -9.117 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.361 -9.301 0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.430 -10.498 0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.316 -11.001 -0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.770 -8.563 -2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.765 -10.238 -2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.163 -9.184 -3.165 1.00 0.00 H new ATOM 1040 N VAL A 70 -7.924 -10.808 1.879 1.00 0.00 N ATOM 1041 CA VAL A 70 -8.342 -9.984 3.006 1.00 0.00 C ATOM 1042 C VAL A 70 -7.226 -9.005 3.399 1.00 0.00 C ATOM 1043 O VAL A 70 -6.198 -9.397 3.943 1.00 0.00 O ATOM 1044 CB VAL A 70 -8.792 -10.866 4.207 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -9.164 -12.261 3.728 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -7.729 -10.959 5.293 1.00 0.00 C ATOM 0 H VAL A 70 -6.941 -11.080 1.896 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.207 -9.394 2.703 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.665 -10.382 4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.477 -12.866 4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.982 -12.193 3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.300 -12.724 3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.094 -11.585 6.107 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.821 -11.397 4.877 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.509 -9.961 5.674 1.00 0.00 H new ATOM 1056 N ILE A 71 -7.424 -7.725 3.089 1.00 0.00 N ATOM 1057 CA ILE A 71 -6.410 -6.708 3.385 1.00 0.00 C ATOM 1058 C ILE A 71 -6.761 -5.882 4.622 1.00 0.00 C ATOM 1059 O ILE A 71 -7.897 -5.894 5.094 1.00 0.00 O ATOM 1060 CB ILE A 71 -6.161 -5.774 2.175 1.00 0.00 C ATOM 1061 CG1 ILE A 71 -7.217 -4.670 2.095 1.00 0.00 C ATOM 1062 CG2 ILE A 71 -6.139 -6.576 0.881 1.00 0.00 C ATOM 1063 CD1 ILE A 71 -8.623 -5.195 1.925 1.00 0.00 C ATOM 0 H ILE A 71 -8.266 -7.368 2.638 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.490 -7.253 3.595 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.190 -5.300 2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.170 -4.066 3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.980 -4.011 1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.963 -5.905 0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.342 -7.318 0.926 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.096 -7.080 0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.320 -4.359 1.876 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.686 -5.775 1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.879 -5.831 2.772 1.00 0.00 H new ATOM 1075 N ASP A 72 -5.755 -5.189 5.151 1.00 0.00 N ATOM 1076 CA ASP A 72 -5.917 -4.371 6.355 1.00 0.00 C ATOM 1077 C ASP A 72 -6.406 -2.955 6.034 1.00 0.00 C ATOM 1078 O ASP A 72 -6.043 -2.379 5.009 1.00 0.00 O ATOM 1079 CB ASP A 72 -4.587 -4.310 7.114 1.00 0.00 C ATOM 1080 CG ASP A 72 -4.649 -3.434 8.349 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -4.733 -2.198 8.197 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -4.613 -3.985 9.470 1.00 0.00 O ATOM 0 H ASP A 72 -4.812 -5.177 4.763 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.680 -4.840 6.976 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.295 -5.319 7.405 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.811 -3.934 6.447 1.00 0.00 H new ATOM 1087 N PRO A 73 -7.245 -2.379 6.922 1.00 0.00 N ATOM 1088 CA PRO A 73 -7.793 -1.029 6.746 1.00 0.00 C ATOM 1089 C PRO A 73 -6.738 -0.007 6.331 1.00 0.00 C ATOM 1090 O PRO A 73 -6.993 0.858 5.498 1.00 0.00 O ATOM 1091 CB PRO A 73 -8.340 -0.698 8.130 1.00 0.00 C ATOM 1092 CG PRO A 73 -8.734 -2.017 8.694 1.00 0.00 C ATOM 1093 CD PRO A 73 -7.731 -3.006 8.169 1.00 0.00 C ATOM 0 HA PRO A 73 -8.537 -0.994 5.950 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.587 -0.209 8.749 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.192 -0.021 8.070 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.726 -1.994 9.784 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.745 -2.286 8.388 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.920 -3.169 8.878 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.188 -3.977 7.978 1.00 0.00 H new ATOM 1101 N MET A 74 -5.546 -0.109 6.906 1.00 0.00 N ATOM 1102 CA MET A 74 -4.469 0.810 6.570 1.00 0.00 C ATOM 1103 C MET A 74 -4.254 0.807 5.060 1.00 0.00 C ATOM 1104 O MET A 74 -4.105 1.849 4.425 1.00 0.00 O ATOM 1105 CB MET A 74 -3.187 0.424 7.329 1.00 0.00 C ATOM 1106 CG MET A 74 -1.897 0.590 6.536 1.00 0.00 C ATOM 1107 SD MET A 74 -0.472 0.918 7.591 1.00 0.00 S ATOM 1108 CE MET A 74 -0.625 2.686 7.829 1.00 0.00 C ATOM 0 H MET A 74 -5.303 -0.814 7.602 1.00 0.00 H new ATOM 0 HA MET A 74 -4.737 1.822 6.874 1.00 0.00 H new ATOM 0 HB2 MET A 74 -3.121 1.030 8.233 1.00 0.00 H new ATOM 0 HB3 MET A 74 -3.270 -0.615 7.647 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.714 -0.313 5.954 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.014 1.408 5.825 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.188 3.039 8.463 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.576 3.189 6.863 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.580 2.908 8.306 1.00 0.00 H new ATOM 1118 N SER A 75 -4.270 -0.376 4.485 1.00 0.00 N ATOM 1119 CA SER A 75 -4.109 -0.507 3.052 1.00 0.00 C ATOM 1120 C SER A 75 -5.401 -0.114 2.343 1.00 0.00 C ATOM 1121 O SER A 75 -5.372 0.393 1.224 1.00 0.00 O ATOM 1122 CB SER A 75 -3.723 -1.942 2.687 1.00 0.00 C ATOM 1123 OG SER A 75 -2.888 -2.516 3.677 1.00 0.00 O ATOM 0 H SER A 75 -4.392 -1.257 4.984 1.00 0.00 H new ATOM 0 HA SER A 75 -3.310 0.160 2.728 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.623 -2.546 2.573 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.210 -1.950 1.725 1.00 0.00 H new ATOM 0 HG SER A 75 -2.529 -3.367 3.349 1.00 0.00 H new ATOM 1129 N LEU A 76 -6.536 -0.357 3.001 1.00 0.00 N ATOM 1130 CA LEU A 76 -7.846 -0.043 2.429 1.00 0.00 C ATOM 1131 C LEU A 76 -7.844 1.310 1.723 1.00 0.00 C ATOM 1132 O LEU A 76 -8.371 1.440 0.621 1.00 0.00 O ATOM 1133 CB LEU A 76 -8.927 -0.090 3.515 1.00 0.00 C ATOM 1134 CG LEU A 76 -9.977 1.025 3.476 1.00 0.00 C ATOM 1135 CD1 LEU A 76 -11.200 0.604 4.255 1.00 0.00 C ATOM 1136 CD2 LEU A 76 -9.412 2.306 4.056 1.00 0.00 C ATOM 0 H LEU A 76 -6.574 -0.771 3.932 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.072 -0.800 1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -9.442 -1.048 3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.436 -0.064 4.488 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.256 1.206 2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.943 1.401 4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.619 -0.300 3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.922 0.407 5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.171 3.087 4.020 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.114 2.137 5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.544 2.617 3.475 1.00 0.00 H new ATOM 1148 N GLN A 77 -7.258 2.309 2.367 1.00 0.00 N ATOM 1149 CA GLN A 77 -7.205 3.648 1.799 1.00 0.00 C ATOM 1150 C GLN A 77 -6.026 3.799 0.837 1.00 0.00 C ATOM 1151 O GLN A 77 -6.017 4.699 -0.002 1.00 0.00 O ATOM 1152 CB GLN A 77 -7.174 4.715 2.910 1.00 0.00 C ATOM 1153 CG GLN A 77 -5.801 5.303 3.219 1.00 0.00 C ATOM 1154 CD GLN A 77 -5.340 4.969 4.619 1.00 0.00 C ATOM 1155 OE1 GLN A 77 -4.984 5.852 5.400 1.00 0.00 O ATOM 1156 NE2 GLN A 77 -5.346 3.685 4.942 1.00 0.00 N ATOM 0 H GLN A 77 -6.814 2.218 3.281 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.114 3.803 1.218 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.843 5.528 2.627 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.575 4.275 3.823 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -5.075 4.925 2.499 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.836 6.386 3.098 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.650 2.989 4.261 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -5.047 3.392 5.872 1.00 0.00 H new ATOM 1165 N TYR A 78 -5.036 2.917 0.957 1.00 0.00 N ATOM 1166 CA TYR A 78 -3.869 2.968 0.087 1.00 0.00 C ATOM 1167 C TYR A 78 -4.137 2.261 -1.241 1.00 0.00 C ATOM 1168 O TYR A 78 -3.696 2.712 -2.298 1.00 0.00 O ATOM 1169 CB TYR A 78 -2.666 2.305 0.761 1.00 0.00 C ATOM 1170 CG TYR A 78 -2.052 3.112 1.880 1.00 0.00 C ATOM 1171 CD1 TYR A 78 -2.830 3.601 2.918 1.00 0.00 C ATOM 1172 CD2 TYR A 78 -0.688 3.367 1.907 1.00 0.00 C ATOM 1173 CE1 TYR A 78 -2.268 4.324 3.952 1.00 0.00 C ATOM 1174 CE2 TYR A 78 -0.116 4.090 2.935 1.00 0.00 C ATOM 1175 CZ TYR A 78 -0.910 4.566 3.955 1.00 0.00 C ATOM 1176 OH TYR A 78 -0.347 5.286 4.984 1.00 0.00 O ATOM 0 H TYR A 78 -5.020 2.164 1.645 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.654 4.019 -0.104 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.974 1.337 1.155 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.903 2.114 0.007 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.894 3.413 2.918 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.063 2.993 1.110 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.888 4.698 4.753 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.947 4.281 2.939 1.00 0.00 H new ATOM 0 HH TYR A 78 0.619 5.367 4.837 1.00 0.00 H new ATOM 1186 N LEU A 79 -4.829 1.129 -1.166 1.00 0.00 N ATOM 1187 CA LEU A 79 -5.125 0.321 -2.351 1.00 0.00 C ATOM 1188 C LEU A 79 -6.440 0.697 -3.036 1.00 0.00 C ATOM 1189 O LEU A 79 -6.688 0.288 -4.166 1.00 0.00 O ATOM 1190 CB LEU A 79 -5.071 -1.184 -2.025 1.00 0.00 C ATOM 1191 CG LEU A 79 -6.120 -1.774 -1.064 1.00 0.00 C ATOM 1192 CD1 LEU A 79 -5.478 -2.089 0.266 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -7.318 -0.859 -0.857 1.00 0.00 C ATOM 0 H LEU A 79 -5.198 0.747 -0.295 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.340 0.547 -3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.143 -1.728 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.086 -1.396 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.495 -2.687 -1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.225 -2.506 0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.676 -2.813 0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.068 -1.176 0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.021 -1.330 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.983 0.090 -0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.809 -0.681 -1.814 1.00 0.00 H new ATOM 1205 N ILE A 80 -7.296 1.432 -2.333 1.00 0.00 N ATOM 1206 CA ILE A 80 -8.618 1.816 -2.852 1.00 0.00 C ATOM 1207 C ILE A 80 -8.753 1.663 -4.372 1.00 0.00 C ATOM 1208 O ILE A 80 -8.016 2.264 -5.154 1.00 0.00 O ATOM 1209 CB ILE A 80 -8.972 3.277 -2.491 1.00 0.00 C ATOM 1210 CG1 ILE A 80 -8.110 4.256 -3.284 1.00 0.00 C ATOM 1211 CG2 ILE A 80 -8.805 3.519 -1.006 1.00 0.00 C ATOM 1212 CD1 ILE A 80 -6.629 4.050 -3.082 1.00 0.00 C ATOM 0 H ILE A 80 -7.102 1.779 -1.394 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.308 1.123 -2.372 1.00 0.00 H new ATOM 0 HB ILE A 80 -10.017 3.443 -2.754 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.342 4.156 -4.344 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.370 5.274 -2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.060 4.553 -0.775 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.464 2.851 -0.452 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.771 3.327 -0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.076 4.779 -3.674 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.384 4.179 -2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.355 3.043 -3.398 1.00 0.00 H new ATOM 1224 N GLY A 81 -9.729 0.847 -4.753 1.00 0.00 N ATOM 1225 CA GLY A 81 -10.044 0.574 -6.150 1.00 0.00 C ATOM 1226 C GLY A 81 -8.863 0.598 -7.109 1.00 0.00 C ATOM 1227 O GLY A 81 -9.027 0.954 -8.277 1.00 0.00 O ATOM 0 H GLY A 81 -10.330 0.352 -4.094 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.519 -0.405 -6.212 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.778 1.306 -6.488 1.00 0.00 H new ATOM 1231 N GLY A 82 -7.683 0.203 -6.647 1.00 0.00 N ATOM 1232 CA GLY A 82 -6.527 0.179 -7.529 1.00 0.00 C ATOM 1233 C GLY A 82 -6.468 -1.109 -8.333 1.00 0.00 C ATOM 1234 O GLY A 82 -7.504 -1.701 -8.633 1.00 0.00 O ATOM 0 H GLY A 82 -7.504 -0.098 -5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.568 1.031 -8.207 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.616 0.284 -6.940 1.00 0.00 H new ATOM 1238 N THR A 83 -5.261 -1.556 -8.674 1.00 0.00 N ATOM 1239 CA THR A 83 -5.097 -2.794 -9.433 1.00 0.00 C ATOM 1240 C THR A 83 -3.772 -3.469 -9.084 1.00 0.00 C ATOM 1241 O THR A 83 -2.728 -2.821 -9.047 1.00 0.00 O ATOM 1242 CB THR A 83 -5.168 -2.521 -10.935 1.00 0.00 C ATOM 1243 OG1 THR A 83 -6.480 -2.140 -11.313 1.00 0.00 O ATOM 1244 CG2 THR A 83 -4.775 -3.717 -11.777 1.00 0.00 C ATOM 0 H THR A 83 -4.388 -1.084 -8.439 1.00 0.00 H new ATOM 0 HA THR A 83 -5.912 -3.465 -9.163 1.00 0.00 H new ATOM 0 HB THR A 83 -4.456 -1.717 -11.119 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.047 -2.083 -10.515 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.847 -3.458 -12.833 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.750 -4.006 -11.543 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.445 -4.549 -11.562 1.00 0.00 H new ATOM 1252 N VAL A 84 -3.818 -4.775 -8.837 1.00 0.00 N ATOM 1253 CA VAL A 84 -2.612 -5.525 -8.498 1.00 0.00 C ATOM 1254 C VAL A 84 -2.435 -6.727 -9.412 1.00 0.00 C ATOM 1255 O VAL A 84 -3.407 -7.310 -9.890 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.591 -6.005 -7.018 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -3.866 -5.636 -6.281 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.332 -7.503 -6.918 1.00 0.00 C ATOM 0 H VAL A 84 -4.671 -5.333 -8.865 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.785 -4.829 -8.638 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.765 -5.483 -6.534 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.807 -5.991 -5.252 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.988 -4.553 -6.285 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.719 -6.099 -6.776 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.324 -7.802 -5.870 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.119 -8.044 -7.444 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.367 -7.736 -7.369 1.00 0.00 H new ATOM 1268 N ASP A 85 -1.184 -7.106 -9.623 1.00 0.00 N ATOM 1269 CA ASP A 85 -0.866 -8.259 -10.448 1.00 0.00 C ATOM 1270 C ASP A 85 0.435 -8.901 -9.992 1.00 0.00 C ATOM 1271 O ASP A 85 1.368 -8.213 -9.577 1.00 0.00 O ATOM 1272 CB ASP A 85 -0.781 -7.872 -11.926 1.00 0.00 C ATOM 1273 CG ASP A 85 -0.163 -6.503 -12.138 1.00 0.00 C ATOM 1274 OD1 ASP A 85 1.017 -6.321 -11.770 1.00 0.00 O ATOM 1275 OD2 ASP A 85 -0.858 -5.612 -12.671 1.00 0.00 O ATOM 0 H ASP A 85 -0.371 -6.630 -9.233 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.671 -8.985 -10.334 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.192 -8.618 -12.460 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.781 -7.886 -12.359 1.00 0.00 H new ATOM 1280 N TYR A 86 0.488 -10.223 -10.061 1.00 0.00 N ATOM 1281 CA TYR A 86 1.669 -10.963 -9.647 1.00 0.00 C ATOM 1282 C TYR A 86 2.260 -11.739 -10.813 1.00 0.00 C ATOM 1283 O TYR A 86 1.535 -12.299 -11.633 1.00 0.00 O ATOM 1284 CB TYR A 86 1.302 -11.920 -8.520 1.00 0.00 C ATOM 1285 CG TYR A 86 2.132 -11.747 -7.274 1.00 0.00 C ATOM 1286 CD1 TYR A 86 3.515 -11.824 -7.324 1.00 0.00 C ATOM 1287 CD2 TYR A 86 1.528 -11.519 -6.044 1.00 0.00 C ATOM 1288 CE1 TYR A 86 4.278 -11.678 -6.184 1.00 0.00 C ATOM 1289 CE2 TYR A 86 2.282 -11.372 -4.897 1.00 0.00 C ATOM 1290 CZ TYR A 86 3.658 -11.453 -4.971 1.00 0.00 C ATOM 1291 OH TYR A 86 4.414 -11.307 -3.831 1.00 0.00 O ATOM 0 H TYR A 86 -0.277 -10.806 -10.401 1.00 0.00 H new ATOM 0 HA TYR A 86 2.418 -10.253 -9.295 1.00 0.00 H new ATOM 0 HB2 TYR A 86 0.251 -11.780 -8.266 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.410 -12.944 -8.877 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.003 -12.001 -8.271 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.452 -11.456 -5.984 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.355 -11.739 -6.240 1.00 0.00 H new ATOM 0 HE2 TYR A 86 1.798 -11.195 -3.948 1.00 0.00 H new ATOM 0 HH TYR A 86 3.823 -11.154 -3.064 1.00 0.00 H new ATOM 1301 N THR A 87 3.582 -11.775 -10.877 1.00 0.00 N ATOM 1302 CA THR A 87 4.265 -12.495 -11.940 1.00 0.00 C ATOM 1303 C THR A 87 5.618 -13.019 -11.472 1.00 0.00 C ATOM 1304 O THR A 87 6.636 -12.343 -11.614 1.00 0.00 O ATOM 1305 CB THR A 87 4.449 -11.594 -13.161 1.00 0.00 C ATOM 1306 OG1 THR A 87 3.201 -11.109 -13.620 1.00 0.00 O ATOM 1307 CG2 THR A 87 5.127 -12.290 -14.323 1.00 0.00 C ATOM 0 H THR A 87 4.201 -11.316 -10.209 1.00 0.00 H new ATOM 0 HA THR A 87 3.645 -13.348 -12.215 1.00 0.00 H new ATOM 0 HB THR A 87 5.089 -10.779 -12.823 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.341 -10.533 -14.401 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.226 -11.594 -15.156 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.115 -12.632 -14.016 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.528 -13.146 -14.634 1.00 0.00 H new ATOM 1413 N PHE A 95 6.095 -8.139 -7.538 1.00 0.00 N ATOM 1414 CA PHE A 95 4.732 -7.690 -7.286 1.00 0.00 C ATOM 1415 C PHE A 95 4.539 -6.240 -7.704 1.00 0.00 C ATOM 1416 O PHE A 95 5.356 -5.376 -7.384 1.00 0.00 O ATOM 1417 CB PHE A 95 4.389 -7.859 -5.806 1.00 0.00 C ATOM 1418 CG PHE A 95 2.913 -7.885 -5.534 1.00 0.00 C ATOM 1419 CD1 PHE A 95 2.054 -8.590 -6.362 1.00 0.00 C ATOM 1420 CD2 PHE A 95 2.384 -7.204 -4.449 1.00 0.00 C ATOM 1421 CE1 PHE A 95 0.697 -8.613 -6.115 1.00 0.00 C ATOM 1422 CE2 PHE A 95 1.028 -7.224 -4.197 1.00 0.00 C ATOM 1423 CZ PHE A 95 0.183 -7.930 -5.032 1.00 0.00 C ATOM 0 HA PHE A 95 4.060 -8.305 -7.885 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.834 -8.785 -5.441 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.841 -7.044 -5.241 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.451 -9.127 -7.210 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.041 -6.651 -3.793 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.038 -9.165 -6.769 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.627 -6.689 -3.349 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.879 -7.947 -4.837 1.00 0.00 H new ATOM 1433 N THR A 96 3.450 -5.978 -8.419 1.00 0.00 N ATOM 1434 CA THR A 96 3.151 -4.624 -8.876 1.00 0.00 C ATOM 1435 C THR A 96 1.679 -4.281 -8.680 1.00 0.00 C ATOM 1436 O THR A 96 0.793 -5.064 -9.022 1.00 0.00 O ATOM 1437 CB THR A 96 3.521 -4.459 -10.349 1.00 0.00 C ATOM 1438 OG1 THR A 96 4.487 -5.419 -10.738 1.00 0.00 O ATOM 1439 CG2 THR A 96 4.073 -3.088 -10.675 1.00 0.00 C ATOM 0 H THR A 96 2.763 -6.680 -8.694 1.00 0.00 H new ATOM 0 HA THR A 96 3.749 -3.939 -8.274 1.00 0.00 H new ATOM 0 HB THR A 96 2.590 -4.598 -10.898 1.00 0.00 H new ATOM 0 HG1 THR A 96 4.708 -5.296 -11.685 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.316 -3.037 -11.736 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.328 -2.329 -10.436 1.00 0.00 H new ATOM 0 HG23 THR A 96 4.974 -2.909 -10.088 1.00 0.00 H new ATOM 1447 N VAL A 97 1.430 -3.096 -8.133 1.00 0.00 N ATOM 1448 CA VAL A 97 0.071 -2.624 -7.893 1.00 0.00 C ATOM 1449 C VAL A 97 -0.085 -1.190 -8.388 1.00 0.00 C ATOM 1450 O VAL A 97 0.904 -0.482 -8.574 1.00 0.00 O ATOM 1451 CB VAL A 97 -0.307 -2.694 -6.397 1.00 0.00 C ATOM 1452 CG1 VAL A 97 -1.815 -2.715 -6.228 1.00 0.00 C ATOM 1453 CG2 VAL A 97 0.315 -3.917 -5.738 1.00 0.00 C ATOM 0 H VAL A 97 2.157 -2.441 -7.846 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.602 -3.281 -8.444 1.00 0.00 H new ATOM 0 HB VAL A 97 0.086 -1.803 -5.907 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.062 -2.764 -5.167 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.242 -1.809 -6.658 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.226 -3.587 -6.737 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.035 -3.945 -4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.044 -4.819 -6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.400 -3.864 -5.823 1.00 0.00 H new ATOM 1463 N ASN A 98 -1.325 -0.767 -8.613 1.00 0.00 N ATOM 1464 CA ASN A 98 -1.586 0.584 -9.102 1.00 0.00 C ATOM 1465 C ASN A 98 -2.687 1.267 -8.299 1.00 0.00 C ATOM 1466 O ASN A 98 -3.588 0.614 -7.773 1.00 0.00 O ATOM 1467 CB ASN A 98 -1.966 0.542 -10.583 1.00 0.00 C ATOM 1468 CG ASN A 98 -0.809 0.105 -11.459 1.00 0.00 C ATOM 1469 OD1 ASN A 98 0.250 0.732 -11.464 1.00 0.00 O ATOM 1470 ND2 ASN A 98 -1.004 -0.975 -12.207 1.00 0.00 N ATOM 0 H ASN A 98 -2.160 -1.335 -8.466 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.673 1.166 -8.979 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.803 -0.142 -10.722 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.305 1.529 -10.897 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -0.260 -1.315 -12.816 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.898 -1.465 -12.172 1.00 0.00 H new