USER MOD reduce.3.24.130724 H: found=0, std=0, add=316, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 318 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 Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 59:sc= -0.468! USER MOD Single : A 92 SER OG : rot -30:sc= 0.565 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl -123:sc= 0 (180deg=-0.00555) USER MOD Single : B 87 THR OG1 : rot 57:sc= -0.463! USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N LEU A 75 9.390 -5.168 -4.238 1.00 0.00 N ATOM 79 CA LEU A 75 10.616 -4.471 -4.611 1.00 0.00 C ATOM 80 C LEU A 75 11.823 -5.076 -3.902 1.00 0.00 C ATOM 81 O LEU A 75 12.909 -5.170 -4.476 1.00 0.00 O ATOM 82 CB LEU A 75 10.503 -2.983 -4.271 1.00 0.00 C ATOM 83 CG LEU A 75 9.234 -2.279 -4.752 1.00 0.00 C ATOM 84 CD1 LEU A 75 9.255 -0.811 -4.357 1.00 0.00 C ATOM 85 CD2 LEU A 75 9.082 -2.425 -6.259 1.00 0.00 C ATOM 0 HA LEU A 75 10.756 -4.582 -5.686 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.568 -2.872 -3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.364 -2.467 -4.696 1.00 0.00 H new ATOM 0 HG LEU A 75 8.376 -2.751 -4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.344 -0.327 -4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.316 -0.727 -3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.121 -0.325 -4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.173 -1.918 -6.584 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.944 -1.980 -6.756 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.020 -3.482 -6.518 1.00 0.00 H new ATOM 97 N ILE A 76 11.626 -5.486 -2.654 1.00 0.00 N ATOM 98 CA ILE A 76 12.699 -6.085 -1.869 1.00 0.00 C ATOM 99 C ILE A 76 13.117 -7.432 -2.448 1.00 0.00 C ATOM 100 O ILE A 76 14.304 -7.758 -2.493 1.00 0.00 O ATOM 101 CB ILE A 76 12.280 -6.278 -0.400 1.00 0.00 C ATOM 102 CG1 ILE A 76 11.860 -4.941 0.214 1.00 0.00 C ATOM 103 CG2 ILE A 76 13.417 -6.899 0.398 1.00 0.00 C ATOM 104 CD1 ILE A 76 11.035 -5.087 1.473 1.00 0.00 C ATOM 0 H ILE A 76 10.734 -5.415 -2.164 1.00 0.00 H new ATOM 0 HA ILE A 76 13.543 -5.397 -1.910 1.00 0.00 H new ATOM 0 HB ILE A 76 11.427 -6.955 -0.368 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.753 -4.358 0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.288 -4.376 -0.522 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.105 -7.029 1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.673 -7.869 -0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.288 -6.244 0.360 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.773 -4.100 1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.125 -5.643 1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.612 -5.624 2.226 1.00 0.00 H new ATOM 116 N ILE A 77 12.136 -8.210 -2.892 1.00 0.00 N ATOM 117 CA ILE A 77 12.402 -9.520 -3.472 1.00 0.00 C ATOM 118 C ILE A 77 13.166 -9.395 -4.786 1.00 0.00 C ATOM 119 O ILE A 77 14.261 -9.939 -4.934 1.00 0.00 O ATOM 120 CB ILE A 77 11.099 -10.302 -3.721 1.00 0.00 C ATOM 121 CG1 ILE A 77 10.427 -10.652 -2.392 1.00 0.00 C ATOM 122 CG2 ILE A 77 11.382 -11.561 -4.526 1.00 0.00 C ATOM 123 CD1 ILE A 77 8.923 -10.782 -2.492 1.00 0.00 C ATOM 0 H ILE A 77 11.149 -7.955 -2.861 1.00 0.00 H new ATOM 0 HA ILE A 77 13.011 -10.066 -2.751 1.00 0.00 H new ATOM 0 HB ILE A 77 10.419 -9.673 -4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.841 -11.589 -2.021 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.669 -9.884 -1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.451 -12.103 -4.694 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.821 -11.288 -5.486 1.00 0.00 H new ATOM 0 HG23 ILE A 77 12.077 -12.196 -3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.513 -11.031 -1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.498 -9.838 -2.833 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.672 -11.571 -3.202 1.00 0.00 H new ATOM 135 N PHE A 78 12.582 -8.674 -5.737 1.00 0.00 N ATOM 136 CA PHE A 78 13.208 -8.477 -7.039 1.00 0.00 C ATOM 137 C PHE A 78 14.556 -7.776 -6.894 1.00 0.00 C ATOM 138 O PHE A 78 15.475 -8.005 -7.680 1.00 0.00 O ATOM 139 CB PHE A 78 12.291 -7.659 -7.951 1.00 0.00 C ATOM 140 CG PHE A 78 12.944 -7.237 -9.236 1.00 0.00 C ATOM 141 CD1 PHE A 78 13.659 -6.053 -9.308 1.00 0.00 C ATOM 142 CD2 PHE A 78 12.843 -8.025 -10.371 1.00 0.00 C ATOM 143 CE1 PHE A 78 14.260 -5.662 -10.490 1.00 0.00 C ATOM 144 CE2 PHE A 78 13.442 -7.639 -11.555 1.00 0.00 C ATOM 145 CZ PHE A 78 14.153 -6.457 -11.614 1.00 0.00 C ATOM 0 H PHE A 78 11.677 -8.217 -5.631 1.00 0.00 H new ATOM 0 HA PHE A 78 13.374 -9.457 -7.486 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.402 -8.247 -8.181 1.00 0.00 H new ATOM 0 HB3 PHE A 78 11.956 -6.771 -7.414 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.748 -5.429 -8.431 1.00 0.00 H new ATOM 0 HD2 PHE A 78 12.290 -8.952 -10.330 1.00 0.00 H new ATOM 0 HE1 PHE A 78 14.813 -4.735 -10.534 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.354 -8.261 -12.433 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.625 -6.155 -12.537 1.00 0.00 H new ATOM 155 N GLY A 79 14.665 -6.919 -5.883 1.00 0.00 N ATOM 156 CA GLY A 79 15.903 -6.197 -5.653 1.00 0.00 C ATOM 157 C GLY A 79 17.028 -7.105 -5.197 1.00 0.00 C ATOM 158 O GLY A 79 18.024 -7.273 -5.901 1.00 0.00 O ATOM 0 H GLY A 79 13.918 -6.712 -5.220 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.200 -5.689 -6.571 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.736 -5.425 -4.901 1.00 0.00 H new ATOM 162 N VAL A 80 16.870 -7.691 -4.014 1.00 0.00 N ATOM 163 CA VAL A 80 17.881 -8.587 -3.465 1.00 0.00 C ATOM 164 C VAL A 80 18.179 -9.734 -4.423 1.00 0.00 C ATOM 165 O VAL A 80 19.317 -10.191 -4.525 1.00 0.00 O ATOM 166 CB VAL A 80 17.439 -9.167 -2.108 1.00 0.00 C ATOM 167 CG1 VAL A 80 18.493 -10.121 -1.566 1.00 0.00 C ATOM 168 CG2 VAL A 80 17.159 -8.049 -1.116 1.00 0.00 C ATOM 0 H VAL A 80 16.052 -7.561 -3.418 1.00 0.00 H new ATOM 0 HA VAL A 80 18.785 -7.994 -3.322 1.00 0.00 H new ATOM 0 HB VAL A 80 16.517 -9.729 -2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.163 -10.521 -0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.639 -10.940 -2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.433 -9.586 -1.432 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.848 -8.477 -0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.063 -7.457 -0.970 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.365 -7.410 -1.503 1.00 0.00 H new ATOM 178 N MET A 81 17.149 -10.194 -5.125 1.00 0.00 N ATOM 179 CA MET A 81 17.301 -11.288 -6.078 1.00 0.00 C ATOM 180 C MET A 81 18.194 -10.873 -7.243 1.00 0.00 C ATOM 181 O MET A 81 19.105 -11.605 -7.630 1.00 0.00 O ATOM 182 CB MET A 81 15.933 -11.731 -6.601 1.00 0.00 C ATOM 183 CG MET A 81 15.193 -12.662 -5.655 1.00 0.00 C ATOM 184 SD MET A 81 15.546 -14.401 -5.976 1.00 0.00 S ATOM 185 CE MET A 81 15.735 -15.022 -4.307 1.00 0.00 C ATOM 0 H MET A 81 16.200 -9.827 -5.052 1.00 0.00 H new ATOM 0 HA MET A 81 17.772 -12.124 -5.562 1.00 0.00 H new ATOM 0 HB2 MET A 81 15.320 -10.849 -6.783 1.00 0.00 H new ATOM 0 HB3 MET A 81 16.065 -12.231 -7.561 1.00 0.00 H new ATOM 0 HG2 MET A 81 15.467 -12.423 -4.628 1.00 0.00 H new ATOM 0 HG3 MET A 81 14.121 -12.490 -5.747 1.00 0.00 H new ATOM 0 HE1 MET A 81 15.957 -16.089 -4.339 1.00 0.00 H new ATOM 0 HE2 MET A 81 16.552 -14.496 -3.813 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.811 -14.860 -3.752 1.00 0.00 H new ATOM 195 N ALA A 82 17.927 -9.696 -7.798 1.00 0.00 N ATOM 196 CA ALA A 82 18.708 -9.184 -8.917 1.00 0.00 C ATOM 197 C ALA A 82 20.165 -8.971 -8.518 1.00 0.00 C ATOM 198 O ALA A 82 21.077 -9.242 -9.297 1.00 0.00 O ATOM 199 CB ALA A 82 18.105 -7.885 -9.431 1.00 0.00 C ATOM 0 H ALA A 82 17.175 -9.079 -7.491 1.00 0.00 H new ATOM 0 HA ALA A 82 18.682 -9.925 -9.716 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.698 -7.514 -10.267 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.083 -8.065 -9.764 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.101 -7.144 -8.631 1.00 0.00 H new ATOM 205 N GLY A 83 20.375 -8.484 -7.299 1.00 0.00 N ATOM 206 CA GLY A 83 21.723 -8.242 -6.819 1.00 0.00 C ATOM 207 C GLY A 83 22.460 -9.526 -6.493 1.00 0.00 C ATOM 208 O GLY A 83 23.539 -9.784 -7.028 1.00 0.00 O ATOM 0 H GLY A 83 19.636 -8.253 -6.635 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.281 -7.688 -7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.682 -7.614 -5.929 1.00 0.00 H new ATOM 212 N VAL A 84 21.879 -10.332 -5.610 1.00 0.00 N ATOM 213 CA VAL A 84 22.489 -11.595 -5.212 1.00 0.00 C ATOM 214 C VAL A 84 22.783 -12.470 -6.425 1.00 0.00 C ATOM 215 O VAL A 84 23.892 -12.982 -6.579 1.00 0.00 O ATOM 216 CB VAL A 84 21.582 -12.374 -4.239 1.00 0.00 C ATOM 217 CG1 VAL A 84 22.196 -13.724 -3.903 1.00 0.00 C ATOM 218 CG2 VAL A 84 21.335 -11.562 -2.977 1.00 0.00 C ATOM 0 H VAL A 84 20.987 -10.133 -5.157 1.00 0.00 H new ATOM 0 HA VAL A 84 23.424 -11.350 -4.709 1.00 0.00 H new ATOM 0 HB VAL A 84 20.622 -12.549 -4.724 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.542 -14.260 -3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.317 -14.306 -4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.170 -13.575 -3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.693 -12.127 -2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.286 -11.355 -2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.849 -10.622 -3.238 1.00 0.00 H new ATOM 228 N ILE A 85 21.783 -12.636 -7.284 1.00 0.00 N ATOM 229 CA ILE A 85 21.936 -13.448 -8.485 1.00 0.00 C ATOM 230 C ILE A 85 22.994 -12.862 -9.414 1.00 0.00 C ATOM 231 O ILE A 85 23.893 -13.567 -9.870 1.00 0.00 O ATOM 232 CB ILE A 85 20.607 -13.572 -9.253 1.00 0.00 C ATOM 233 CG1 ILE A 85 19.580 -14.342 -8.420 1.00 0.00 C ATOM 234 CG2 ILE A 85 20.831 -14.257 -10.593 1.00 0.00 C ATOM 235 CD1 ILE A 85 19.962 -15.785 -8.174 1.00 0.00 C ATOM 0 H ILE A 85 20.859 -12.219 -7.171 1.00 0.00 H new ATOM 0 HA ILE A 85 22.252 -14.439 -8.158 1.00 0.00 H new ATOM 0 HB ILE A 85 20.218 -12.571 -9.439 1.00 0.00 H new ATOM 0 HG12 ILE A 85 19.452 -13.840 -7.461 1.00 0.00 H new ATOM 0 HG13 ILE A 85 18.616 -14.311 -8.927 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.882 -14.337 -11.124 1.00 0.00 H new ATOM 0 HG22 ILE A 85 21.532 -13.671 -11.188 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.240 -15.254 -10.428 1.00 0.00 H new ATOM 0 HD11 ILE A 85 19.189 -16.269 -7.578 1.00 0.00 H new ATOM 0 HD12 ILE A 85 20.062 -16.303 -9.128 1.00 0.00 H new ATOM 0 HD13 ILE A 85 20.911 -15.824 -7.639 1.00 0.00 H new ATOM 247 N GLY A 86 22.881 -11.566 -9.688 1.00 0.00 N ATOM 248 CA GLY A 86 23.836 -10.907 -10.560 1.00 0.00 C ATOM 249 C GLY A 86 25.256 -10.997 -10.037 1.00 0.00 C ATOM 250 O GLY A 86 26.206 -11.109 -10.813 1.00 0.00 O ATOM 0 H GLY A 86 22.146 -10.961 -9.322 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.788 -11.356 -11.552 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.559 -9.859 -10.671 1.00 0.00 H new ATOM 254 N THR A 87 25.404 -10.945 -8.717 1.00 0.00 N ATOM 255 CA THR A 87 26.718 -11.018 -8.091 1.00 0.00 C ATOM 256 C THR A 87 27.329 -12.405 -8.256 1.00 0.00 C ATOM 257 O THR A 87 28.406 -12.554 -8.834 1.00 0.00 O ATOM 258 CB THR A 87 26.646 -10.677 -6.591 1.00 0.00 C ATOM 259 OG1 THR A 87 26.126 -9.354 -6.414 1.00 0.00 O ATOM 260 CG2 THR A 87 28.020 -10.777 -5.946 1.00 0.00 C ATOM 0 H THR A 87 24.629 -10.852 -8.060 1.00 0.00 H new ATOM 0 HA THR A 87 27.348 -10.284 -8.593 1.00 0.00 H new ATOM 0 HB THR A 87 25.983 -11.396 -6.109 1.00 0.00 H new ATOM 0 HG1 THR A 87 25.234 -9.296 -6.817 1.00 0.00 H new ATOM 0 HG21 THR A 87 27.943 -10.532 -4.887 1.00 0.00 H new ATOM 0 HG22 THR A 87 28.401 -11.792 -6.057 1.00 0.00 H new ATOM 0 HG23 THR A 87 28.702 -10.079 -6.432 1.00 0.00 H new ATOM 268 N ILE A 88 26.635 -13.417 -7.746 1.00 0.00 N ATOM 269 CA ILE A 88 27.109 -14.792 -7.840 1.00 0.00 C ATOM 270 C ILE A 88 27.387 -15.181 -9.288 1.00 0.00 C ATOM 271 O ILE A 88 28.349 -15.894 -9.577 1.00 0.00 O ATOM 272 CB ILE A 88 26.091 -15.781 -7.241 1.00 0.00 C ATOM 273 CG1 ILE A 88 25.817 -15.439 -5.775 1.00 0.00 C ATOM 274 CG2 ILE A 88 26.600 -17.208 -7.371 1.00 0.00 C ATOM 275 CD1 ILE A 88 24.781 -16.333 -5.129 1.00 0.00 C ATOM 0 H ILE A 88 25.743 -13.310 -7.264 1.00 0.00 H new ATOM 0 HA ILE A 88 28.035 -14.845 -7.268 1.00 0.00 H new ATOM 0 HB ILE A 88 25.156 -15.697 -7.795 1.00 0.00 H new ATOM 0 HG12 ILE A 88 26.748 -15.511 -5.213 1.00 0.00 H new ATOM 0 HG13 ILE A 88 25.484 -14.403 -5.708 1.00 0.00 H new ATOM 0 HG21 ILE A 88 25.870 -17.895 -6.943 1.00 0.00 H new ATOM 0 HG22 ILE A 88 26.749 -17.447 -8.424 1.00 0.00 H new ATOM 0 HG23 ILE A 88 27.546 -17.307 -6.839 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.638 -16.033 -4.091 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.837 -16.243 -5.666 1.00 0.00 H new ATOM 0 HD13 ILE A 88 25.121 -17.368 -5.164 1.00 0.00 H new ATOM 287 N LEU A 89 26.540 -14.706 -10.195 1.00 0.00 N ATOM 288 CA LEU A 89 26.695 -15.002 -11.615 1.00 0.00 C ATOM 289 C LEU A 89 27.979 -14.386 -12.163 1.00 0.00 C ATOM 290 O LEU A 89 28.818 -15.081 -12.736 1.00 0.00 O ATOM 291 CB LEU A 89 25.490 -14.480 -12.399 1.00 0.00 C ATOM 292 CG LEU A 89 24.259 -15.387 -12.420 1.00 0.00 C ATOM 293 CD1 LEU A 89 23.108 -14.708 -13.145 1.00 0.00 C ATOM 294 CD2 LEU A 89 24.590 -16.721 -13.072 1.00 0.00 C ATOM 0 H LEU A 89 25.739 -14.115 -9.972 1.00 0.00 H new ATOM 0 HA LEU A 89 26.755 -16.084 -11.731 1.00 0.00 H new ATOM 0 HB2 LEU A 89 25.199 -13.516 -11.981 1.00 0.00 H new ATOM 0 HB3 LEU A 89 25.802 -14.300 -13.428 1.00 0.00 H new ATOM 0 HG LEU A 89 23.953 -15.575 -11.391 1.00 0.00 H new ATOM 0 HD11 LEU A 89 22.241 -15.368 -13.150 1.00 0.00 H new ATOM 0 HD12 LEU A 89 22.854 -13.779 -12.634 1.00 0.00 H new ATOM 0 HD13 LEU A 89 23.403 -14.489 -14.171 1.00 0.00 H new ATOM 0 HD21 LEU A 89 23.702 -17.353 -13.078 1.00 0.00 H new ATOM 0 HD22 LEU A 89 24.923 -16.553 -14.096 1.00 0.00 H new ATOM 0 HD23 LEU A 89 25.383 -17.214 -12.509 1.00 0.00 H new ATOM 306 N LEU A 90 28.125 -13.078 -11.980 1.00 0.00 N ATOM 307 CA LEU A 90 29.308 -12.367 -12.454 1.00 0.00 C ATOM 308 C LEU A 90 30.582 -13.022 -11.931 1.00 0.00 C ATOM 309 O LEU A 90 31.514 -13.286 -12.693 1.00 0.00 O ATOM 310 CB LEU A 90 29.256 -10.903 -12.016 1.00 0.00 C ATOM 311 CG LEU A 90 29.947 -9.900 -12.942 1.00 0.00 C ATOM 312 CD1 LEU A 90 29.428 -8.494 -12.688 1.00 0.00 C ATOM 313 CD2 LEU A 90 31.456 -9.955 -12.757 1.00 0.00 C ATOM 0 H LEU A 90 27.440 -12.489 -11.507 1.00 0.00 H new ATOM 0 HA LEU A 90 29.319 -12.414 -13.543 1.00 0.00 H new ATOM 0 HB2 LEU A 90 28.211 -10.612 -11.914 1.00 0.00 H new ATOM 0 HB3 LEU A 90 29.707 -10.824 -11.027 1.00 0.00 H new ATOM 0 HG LEU A 90 29.718 -10.169 -13.973 1.00 0.00 H new ATOM 0 HD11 LEU A 90 29.931 -7.794 -13.356 1.00 0.00 H new ATOM 0 HD12 LEU A 90 28.354 -8.464 -12.873 1.00 0.00 H new ATOM 0 HD13 LEU A 90 29.626 -8.214 -11.653 1.00 0.00 H new ATOM 0 HD21 LEU A 90 31.931 -9.235 -13.424 1.00 0.00 H new ATOM 0 HD22 LEU A 90 31.705 -9.712 -11.724 1.00 0.00 H new ATOM 0 HD23 LEU A 90 31.815 -10.957 -12.991 1.00 0.00 H new ATOM 325 N ILE A 91 30.616 -13.283 -10.629 1.00 0.00 N ATOM 326 CA ILE A 91 31.775 -13.910 -10.005 1.00 0.00 C ATOM 327 C ILE A 91 31.981 -15.327 -10.529 1.00 0.00 C ATOM 328 O ILE A 91 33.052 -15.663 -11.035 1.00 0.00 O ATOM 329 CB ILE A 91 31.633 -13.957 -8.473 1.00 0.00 C ATOM 330 CG1 ILE A 91 31.468 -12.543 -7.910 1.00 0.00 C ATOM 331 CG2 ILE A 91 32.840 -14.643 -7.850 1.00 0.00 C ATOM 332 CD1 ILE A 91 31.284 -12.507 -6.409 1.00 0.00 C ATOM 0 H ILE A 91 29.854 -13.070 -9.985 1.00 0.00 H new ATOM 0 HA ILE A 91 32.641 -13.300 -10.262 1.00 0.00 H new ATOM 0 HB ILE A 91 30.742 -14.534 -8.223 1.00 0.00 H new ATOM 0 HG12 ILE A 91 32.344 -11.951 -8.175 1.00 0.00 H new ATOM 0 HG13 ILE A 91 30.608 -12.070 -8.385 1.00 0.00 H new ATOM 0 HG21 ILE A 91 32.725 -14.668 -6.766 1.00 0.00 H new ATOM 0 HG22 ILE A 91 32.916 -15.661 -8.231 1.00 0.00 H new ATOM 0 HG23 ILE A 91 33.744 -14.091 -8.106 1.00 0.00 H new ATOM 0 HD11 ILE A 91 31.173 -11.474 -6.081 1.00 0.00 H new ATOM 0 HD12 ILE A 91 30.392 -13.071 -6.138 1.00 0.00 H new ATOM 0 HD13 ILE A 91 32.154 -12.950 -5.925 1.00 0.00 H new ATOM 344 N SER A 92 30.948 -16.154 -10.405 1.00 0.00 N ATOM 345 CA SER A 92 31.016 -17.537 -10.864 1.00 0.00 C ATOM 346 C SER A 92 31.414 -17.601 -12.336 1.00 0.00 C ATOM 347 O SER A 92 31.954 -18.606 -12.800 1.00 0.00 O ATOM 348 CB SER A 92 29.669 -18.232 -10.657 1.00 0.00 C ATOM 349 OG SER A 92 28.701 -17.750 -11.573 1.00 0.00 O ATOM 0 H SER A 92 30.054 -15.891 -9.991 1.00 0.00 H new ATOM 0 HA SER A 92 31.776 -18.052 -10.277 1.00 0.00 H new ATOM 0 HB2 SER A 92 29.788 -19.308 -10.782 1.00 0.00 H new ATOM 0 HB3 SER A 92 29.323 -18.066 -9.637 1.00 0.00 H new ATOM 0 HG SER A 92 28.901 -16.818 -11.800 1.00 0.00 H new ATOM 355 N TYR A 93 31.144 -16.524 -13.063 1.00 0.00 N ATOM 356 CA TYR A 93 31.471 -16.457 -14.482 1.00 0.00 C ATOM 357 C TYR A 93 32.980 -16.505 -14.696 1.00 0.00 C ATOM 358 O TYR A 93 33.472 -17.209 -15.577 1.00 0.00 O ATOM 359 CB TYR A 93 30.897 -15.181 -15.101 1.00 0.00 C ATOM 360 CG TYR A 93 30.891 -15.190 -16.612 1.00 0.00 C ATOM 361 CD1 TYR A 93 30.238 -16.193 -17.319 1.00 0.00 C ATOM 362 CD2 TYR A 93 31.539 -14.195 -17.335 1.00 0.00 C ATOM 363 CE1 TYR A 93 30.232 -16.205 -18.700 1.00 0.00 C ATOM 364 CE2 TYR A 93 31.536 -14.199 -18.716 1.00 0.00 C ATOM 365 CZ TYR A 93 30.882 -15.206 -19.394 1.00 0.00 C ATOM 366 OH TYR A 93 30.876 -15.214 -20.770 1.00 0.00 O ATOM 0 H TYR A 93 30.699 -15.684 -12.693 1.00 0.00 H new ATOM 0 HA TYR A 93 31.025 -17.322 -14.972 1.00 0.00 H new ATOM 0 HB2 TYR A 93 29.877 -15.041 -14.743 1.00 0.00 H new ATOM 0 HB3 TYR A 93 31.477 -14.326 -14.754 1.00 0.00 H new ATOM 0 HD1 TYR A 93 29.727 -16.976 -16.779 1.00 0.00 H new ATOM 0 HD2 TYR A 93 32.054 -13.405 -16.808 1.00 0.00 H new ATOM 0 HE1 TYR A 93 29.721 -16.993 -19.234 1.00 0.00 H new ATOM 0 HE2 TYR A 93 32.043 -13.417 -19.262 1.00 0.00 H new ATOM 0 HH TYR A 93 31.378 -14.441 -21.104 1.00 0.00 H new ATOM 547 N LEU B 75 13.756 0.930 -1.320 1.00 0.00 N ATOM 548 CA LEU B 75 13.687 -0.514 -1.126 1.00 0.00 C ATOM 549 C LEU B 75 14.606 -1.240 -2.105 1.00 0.00 C ATOM 550 O LEU B 75 15.232 -2.241 -1.757 1.00 0.00 O ATOM 551 CB LEU B 75 12.248 -1.003 -1.302 1.00 0.00 C ATOM 552 CG LEU B 75 11.168 -0.174 -0.607 1.00 0.00 C ATOM 553 CD1 LEU B 75 9.784 -0.703 -0.952 1.00 0.00 C ATOM 554 CD2 LEU B 75 11.381 -0.175 0.900 1.00 0.00 C ATOM 0 HA LEU B 75 14.019 -0.736 -0.112 1.00 0.00 H new ATOM 0 HB2 LEU B 75 12.024 -1.034 -2.368 1.00 0.00 H new ATOM 0 HB3 LEU B 75 12.186 -2.027 -0.933 1.00 0.00 H new ATOM 0 HG LEU B 75 11.241 0.854 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU B 75 9.028 -0.100 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU B 75 9.632 -0.649 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU B 75 9.699 -1.739 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU B 75 10.603 0.420 1.378 1.00 0.00 H new ATOM 0 HD22 LEU B 75 11.336 -1.198 1.273 1.00 0.00 H new ATOM 0 HD23 LEU B 75 12.357 0.252 1.130 1.00 0.00 H new ATOM 566 N ILE B 76 14.683 -0.726 -3.328 1.00 0.00 N ATOM 567 CA ILE B 76 15.527 -1.323 -4.354 1.00 0.00 C ATOM 568 C ILE B 76 17.003 -1.200 -3.992 1.00 0.00 C ATOM 569 O ILE B 76 17.772 -2.149 -4.147 1.00 0.00 O ATOM 570 CB ILE B 76 15.291 -0.669 -5.728 1.00 0.00 C ATOM 571 CG1 ILE B 76 13.816 -0.772 -6.120 1.00 0.00 C ATOM 572 CG2 ILE B 76 16.172 -1.320 -6.784 1.00 0.00 C ATOM 573 CD1 ILE B 76 13.349 -2.193 -6.345 1.00 0.00 C ATOM 0 H ILE B 76 14.171 0.102 -3.632 1.00 0.00 H new ATOM 0 HA ILE B 76 15.256 -2.377 -4.411 1.00 0.00 H new ATOM 0 HB ILE B 76 15.557 0.386 -5.661 1.00 0.00 H new ATOM 0 HG12 ILE B 76 13.208 -0.318 -5.338 1.00 0.00 H new ATOM 0 HG13 ILE B 76 13.649 -0.195 -7.029 1.00 0.00 H new ATOM 0 HG21 ILE B 76 15.993 -0.846 -7.749 1.00 0.00 H new ATOM 0 HG22 ILE B 76 17.220 -1.199 -6.509 1.00 0.00 H new ATOM 0 HG23 ILE B 76 15.935 -2.382 -6.851 1.00 0.00 H new ATOM 0 HD11 ILE B 76 12.294 -2.190 -6.620 1.00 0.00 H new ATOM 0 HD12 ILE B 76 13.932 -2.645 -7.148 1.00 0.00 H new ATOM 0 HD13 ILE B 76 13.484 -2.770 -5.430 1.00 0.00 H new ATOM 585 N ILE B 77 17.392 -0.025 -3.508 1.00 0.00 N ATOM 586 CA ILE B 77 18.775 0.222 -3.121 1.00 0.00 C ATOM 587 C ILE B 77 19.172 -0.635 -1.923 1.00 0.00 C ATOM 588 O ILE B 77 20.127 -1.410 -1.989 1.00 0.00 O ATOM 589 CB ILE B 77 19.008 1.705 -2.776 1.00 0.00 C ATOM 590 CG1 ILE B 77 18.970 2.558 -4.045 1.00 0.00 C ATOM 591 CG2 ILE B 77 20.335 1.879 -2.053 1.00 0.00 C ATOM 592 CD1 ILE B 77 20.134 2.306 -4.977 1.00 0.00 C ATOM 0 H ILE B 77 16.768 0.771 -3.375 1.00 0.00 H new ATOM 0 HA ILE B 77 19.394 -0.045 -3.978 1.00 0.00 H new ATOM 0 HB ILE B 77 18.210 2.038 -2.113 1.00 0.00 H new ATOM 0 HG12 ILE B 77 18.039 2.361 -4.578 1.00 0.00 H new ATOM 0 HG13 ILE B 77 18.961 3.611 -3.765 1.00 0.00 H new ATOM 0 HG21 ILE B 77 20.485 2.932 -1.816 1.00 0.00 H new ATOM 0 HG22 ILE B 77 20.326 1.297 -1.131 1.00 0.00 H new ATOM 0 HG23 ILE B 77 21.146 1.532 -2.693 1.00 0.00 H new ATOM 0 HD11 ILE B 77 20.042 2.945 -5.855 1.00 0.00 H new ATOM 0 HD12 ILE B 77 21.068 2.530 -4.462 1.00 0.00 H new ATOM 0 HD13 ILE B 77 20.132 1.261 -5.287 1.00 0.00 H new ATOM 604 N PHE B 78 18.431 -0.493 -0.829 1.00 0.00 N ATOM 605 CA PHE B 78 18.704 -1.255 0.384 1.00 0.00 C ATOM 606 C PHE B 78 18.591 -2.754 0.121 1.00 0.00 C ATOM 607 O PHE B 78 19.279 -3.558 0.749 1.00 0.00 O ATOM 608 CB PHE B 78 17.737 -0.846 1.497 1.00 0.00 C ATOM 609 CG PHE B 78 17.812 -1.729 2.710 1.00 0.00 C ATOM 610 CD1 PHE B 78 17.038 -2.875 2.798 1.00 0.00 C ATOM 611 CD2 PHE B 78 18.655 -1.412 3.762 1.00 0.00 C ATOM 612 CE1 PHE B 78 17.105 -3.690 3.912 1.00 0.00 C ATOM 613 CE2 PHE B 78 18.727 -2.224 4.879 1.00 0.00 C ATOM 614 CZ PHE B 78 17.949 -3.363 4.955 1.00 0.00 C ATOM 0 H PHE B 78 17.637 0.143 -0.758 1.00 0.00 H new ATOM 0 HA PHE B 78 19.724 -1.035 0.700 1.00 0.00 H new ATOM 0 HB2 PHE B 78 17.949 0.182 1.792 1.00 0.00 H new ATOM 0 HB3 PHE B 78 16.719 -0.863 1.107 1.00 0.00 H new ATOM 0 HD1 PHE B 78 16.374 -3.134 1.986 1.00 0.00 H new ATOM 0 HD2 PHE B 78 19.263 -0.521 3.709 1.00 0.00 H new ATOM 0 HE1 PHE B 78 16.498 -4.582 3.967 1.00 0.00 H new ATOM 0 HE2 PHE B 78 19.391 -1.968 5.691 1.00 0.00 H new ATOM 0 HZ PHE B 78 18.001 -3.996 5.828 1.00 0.00 H new ATOM 624 N GLY B 79 17.718 -3.122 -0.811 1.00 0.00 N ATOM 625 CA GLY B 79 17.530 -4.522 -1.141 1.00 0.00 C ATOM 626 C GLY B 79 18.733 -5.120 -1.842 1.00 0.00 C ATOM 627 O GLY B 79 19.393 -6.012 -1.309 1.00 0.00 O ATOM 0 H GLY B 79 17.137 -2.475 -1.344 1.00 0.00 H new ATOM 0 HA2 GLY B 79 17.329 -5.083 -0.228 1.00 0.00 H new ATOM 0 HA3 GLY B 79 16.653 -4.627 -1.779 1.00 0.00 H new ATOM 631 N VAL B 80 19.020 -4.628 -3.044 1.00 0.00 N ATOM 632 CA VAL B 80 20.152 -5.120 -3.820 1.00 0.00 C ATOM 633 C VAL B 80 21.454 -4.991 -3.037 1.00 0.00 C ATOM 634 O VAL B 80 22.341 -5.838 -3.144 1.00 0.00 O ATOM 635 CB VAL B 80 20.291 -4.360 -5.153 1.00 0.00 C ATOM 636 CG1 VAL B 80 21.495 -4.865 -5.933 1.00 0.00 C ATOM 637 CG2 VAL B 80 19.018 -4.491 -5.976 1.00 0.00 C ATOM 0 H VAL B 80 18.484 -3.890 -3.501 1.00 0.00 H new ATOM 0 HA VAL B 80 19.959 -6.173 -4.028 1.00 0.00 H new ATOM 0 HB VAL B 80 20.448 -3.304 -4.934 1.00 0.00 H new ATOM 0 HG11 VAL B 80 21.577 -4.316 -6.871 1.00 0.00 H new ATOM 0 HG12 VAL B 80 22.400 -4.714 -5.344 1.00 0.00 H new ATOM 0 HG13 VAL B 80 21.373 -5.927 -6.143 1.00 0.00 H new ATOM 0 HG21 VAL B 80 19.134 -3.948 -6.914 1.00 0.00 H new ATOM 0 HG22 VAL B 80 18.828 -5.543 -6.187 1.00 0.00 H new ATOM 0 HG23 VAL B 80 18.179 -4.075 -5.417 1.00 0.00 H new ATOM 647 N MET B 81 21.560 -3.927 -2.248 1.00 0.00 N ATOM 648 CA MET B 81 22.753 -3.689 -1.444 1.00 0.00 C ATOM 649 C MET B 81 22.915 -4.768 -0.378 1.00 0.00 C ATOM 650 O MET B 81 23.998 -5.326 -0.206 1.00 0.00 O ATOM 651 CB MET B 81 22.683 -2.310 -0.784 1.00 0.00 C ATOM 652 CG MET B 81 23.033 -1.168 -1.724 1.00 0.00 C ATOM 653 SD MET B 81 24.803 -0.828 -1.775 1.00 0.00 S ATOM 654 CE MET B 81 25.006 0.131 -0.276 1.00 0.00 C ATOM 0 H MET B 81 20.835 -3.217 -2.148 1.00 0.00 H new ATOM 0 HA MET B 81 23.619 -3.724 -2.105 1.00 0.00 H new ATOM 0 HB2 MET B 81 21.677 -2.154 -0.394 1.00 0.00 H new ATOM 0 HB3 MET B 81 23.362 -2.289 0.068 1.00 0.00 H new ATOM 0 HG2 MET B 81 22.684 -1.409 -2.728 1.00 0.00 H new ATOM 0 HG3 MET B 81 22.503 -0.269 -1.410 1.00 0.00 H new ATOM 0 HE1 MET B 81 25.443 1.099 -0.520 1.00 0.00 H new ATOM 0 HE2 MET B 81 24.034 0.279 0.195 1.00 0.00 H new ATOM 0 HE3 MET B 81 25.665 -0.401 0.410 1.00 0.00 H new ATOM 664 N ALA B 82 21.831 -5.056 0.336 1.00 0.00 N ATOM 665 CA ALA B 82 21.853 -6.069 1.383 1.00 0.00 C ATOM 666 C ALA B 82 22.174 -7.445 0.809 1.00 0.00 C ATOM 667 O ALA B 82 22.894 -8.232 1.422 1.00 0.00 O ATOM 668 CB ALA B 82 20.521 -6.099 2.117 1.00 0.00 C ATOM 0 H ALA B 82 20.927 -4.602 0.208 1.00 0.00 H new ATOM 0 HA ALA B 82 22.639 -5.807 2.091 1.00 0.00 H new ATOM 0 HB1 ALA B 82 20.552 -6.860 2.896 1.00 0.00 H new ATOM 0 HB2 ALA B 82 20.332 -5.125 2.569 1.00 0.00 H new ATOM 0 HB3 ALA B 82 19.723 -6.333 1.413 1.00 0.00 H new ATOM 674 N GLY B 83 21.633 -7.730 -0.372 1.00 0.00 N ATOM 675 CA GLY B 83 21.872 -9.012 -1.008 1.00 0.00 C ATOM 676 C GLY B 83 23.277 -9.130 -1.564 1.00 0.00 C ATOM 677 O GLY B 83 24.014 -10.054 -1.217 1.00 0.00 O ATOM 0 H GLY B 83 21.033 -7.095 -0.899 1.00 0.00 H new ATOM 0 HA2 GLY B 83 21.702 -9.810 -0.285 1.00 0.00 H new ATOM 0 HA3 GLY B 83 21.152 -9.154 -1.814 1.00 0.00 H new ATOM 681 N VAL B 84 23.650 -8.194 -2.430 1.00 0.00 N ATOM 682 CA VAL B 84 24.976 -8.197 -3.036 1.00 0.00 C ATOM 683 C VAL B 84 26.067 -8.225 -1.971 1.00 0.00 C ATOM 684 O VAL B 84 26.991 -9.037 -2.035 1.00 0.00 O ATOM 685 CB VAL B 84 25.186 -6.965 -3.936 1.00 0.00 C ATOM 686 CG1 VAL B 84 26.607 -6.933 -4.476 1.00 0.00 C ATOM 687 CG2 VAL B 84 24.175 -6.959 -5.073 1.00 0.00 C ATOM 0 H VAL B 84 23.052 -7.423 -2.728 1.00 0.00 H new ATOM 0 HA VAL B 84 25.042 -9.098 -3.645 1.00 0.00 H new ATOM 0 HB VAL B 84 25.031 -6.068 -3.336 1.00 0.00 H new ATOM 0 HG11 VAL B 84 26.736 -6.055 -5.110 1.00 0.00 H new ATOM 0 HG12 VAL B 84 27.311 -6.887 -3.645 1.00 0.00 H new ATOM 0 HG13 VAL B 84 26.794 -7.833 -5.061 1.00 0.00 H new ATOM 0 HG21 VAL B 84 24.337 -6.082 -5.699 1.00 0.00 H new ATOM 0 HG22 VAL B 84 24.297 -7.861 -5.673 1.00 0.00 H new ATOM 0 HG23 VAL B 84 23.166 -6.930 -4.662 1.00 0.00 H new ATOM 697 N ILE B 85 25.953 -7.334 -0.991 1.00 0.00 N ATOM 698 CA ILE B 85 26.929 -7.259 0.089 1.00 0.00 C ATOM 699 C ILE B 85 26.950 -8.549 0.902 1.00 0.00 C ATOM 700 O ILE B 85 28.010 -9.124 1.144 1.00 0.00 O ATOM 701 CB ILE B 85 26.634 -6.076 1.031 1.00 0.00 C ATOM 702 CG1 ILE B 85 26.779 -4.750 0.282 1.00 0.00 C ATOM 703 CG2 ILE B 85 27.564 -6.115 2.235 1.00 0.00 C ATOM 704 CD1 ILE B 85 26.128 -3.582 0.989 1.00 0.00 C ATOM 0 H ILE B 85 25.195 -6.655 -0.923 1.00 0.00 H new ATOM 0 HA ILE B 85 27.904 -7.110 -0.375 1.00 0.00 H new ATOM 0 HB ILE B 85 25.607 -6.160 1.386 1.00 0.00 H new ATOM 0 HG12 ILE B 85 27.838 -4.535 0.142 1.00 0.00 H new ATOM 0 HG13 ILE B 85 26.341 -4.853 -0.711 1.00 0.00 H new ATOM 0 HG21 ILE B 85 27.344 -5.273 2.892 1.00 0.00 H new ATOM 0 HG22 ILE B 85 27.416 -7.048 2.779 1.00 0.00 H new ATOM 0 HG23 ILE B 85 28.599 -6.052 1.898 1.00 0.00 H new ATOM 0 HD11 ILE B 85 26.270 -2.675 0.401 1.00 0.00 H new ATOM 0 HD12 ILE B 85 25.062 -3.775 1.105 1.00 0.00 H new ATOM 0 HD13 ILE B 85 26.582 -3.452 1.971 1.00 0.00 H new ATOM 716 N GLY B 86 25.771 -8.999 1.319 1.00 0.00 N ATOM 717 CA GLY B 86 25.676 -10.220 2.098 1.00 0.00 C ATOM 718 C GLY B 86 26.227 -11.423 1.360 1.00 0.00 C ATOM 719 O GLY B 86 26.815 -12.319 1.968 1.00 0.00 O ATOM 0 H GLY B 86 24.880 -8.540 1.131 1.00 0.00 H new ATOM 0 HA2 GLY B 86 26.218 -10.093 3.035 1.00 0.00 H new ATOM 0 HA3 GLY B 86 24.633 -10.402 2.356 1.00 0.00 H new ATOM 723 N THR B 87 26.037 -11.447 0.044 1.00 0.00 N ATOM 724 CA THR B 87 26.517 -12.551 -0.777 1.00 0.00 C ATOM 725 C THR B 87 28.040 -12.567 -0.842 1.00 0.00 C ATOM 726 O THR B 87 28.676 -13.551 -0.465 1.00 0.00 O ATOM 727 CB THR B 87 25.954 -12.471 -2.209 1.00 0.00 C ATOM 728 OG1 THR B 87 24.523 -12.517 -2.176 1.00 0.00 O ATOM 729 CG2 THR B 87 26.484 -13.614 -3.063 1.00 0.00 C ATOM 0 H THR B 87 25.554 -10.714 -0.475 1.00 0.00 H new ATOM 0 HA THR B 87 26.167 -13.470 -0.307 1.00 0.00 H new ATOM 0 HB THR B 87 26.276 -11.528 -2.651 1.00 0.00 H new ATOM 0 HG1 THR B 87 24.185 -11.790 -1.612 1.00 0.00 H new ATOM 0 HG21 THR B 87 26.073 -13.537 -4.070 1.00 0.00 H new ATOM 0 HG22 THR B 87 27.572 -13.559 -3.110 1.00 0.00 H new ATOM 0 HG23 THR B 87 26.187 -14.566 -2.622 1.00 0.00 H new ATOM 737 N ILE B 88 28.618 -11.471 -1.322 1.00 0.00 N ATOM 738 CA ILE B 88 30.067 -11.359 -1.433 1.00 0.00 C ATOM 739 C ILE B 88 30.742 -11.582 -0.084 1.00 0.00 C ATOM 740 O ILE B 88 31.808 -12.194 -0.004 1.00 0.00 O ATOM 741 CB ILE B 88 30.485 -9.982 -1.982 1.00 0.00 C ATOM 742 CG1 ILE B 88 29.850 -9.740 -3.353 1.00 0.00 C ATOM 743 CG2 ILE B 88 32.001 -9.884 -2.069 1.00 0.00 C ATOM 744 CD1 ILE B 88 30.181 -8.387 -3.942 1.00 0.00 C ATOM 0 H ILE B 88 28.105 -10.649 -1.640 1.00 0.00 H new ATOM 0 HA ILE B 88 30.390 -12.133 -2.130 1.00 0.00 H new ATOM 0 HB ILE B 88 30.130 -9.212 -1.298 1.00 0.00 H new ATOM 0 HG12 ILE B 88 30.182 -10.518 -4.041 1.00 0.00 H new ATOM 0 HG13 ILE B 88 28.768 -9.834 -3.265 1.00 0.00 H new ATOM 0 HG21 ILE B 88 32.281 -8.905 -2.459 1.00 0.00 H new ATOM 0 HG22 ILE B 88 32.432 -10.016 -1.076 1.00 0.00 H new ATOM 0 HG23 ILE B 88 32.378 -10.661 -2.734 1.00 0.00 H new ATOM 0 HD11 ILE B 88 29.697 -8.285 -4.914 1.00 0.00 H new ATOM 0 HD12 ILE B 88 29.824 -7.603 -3.275 1.00 0.00 H new ATOM 0 HD13 ILE B 88 31.261 -8.297 -4.063 1.00 0.00 H new ATOM 756 N LEU B 89 30.113 -11.084 0.975 1.00 0.00 N ATOM 757 CA LEU B 89 30.651 -11.230 2.323 1.00 0.00 C ATOM 758 C LEU B 89 30.672 -12.696 2.744 1.00 0.00 C ATOM 759 O LEU B 89 31.709 -13.221 3.152 1.00 0.00 O ATOM 760 CB LEU B 89 29.821 -10.414 3.316 1.00 0.00 C ATOM 761 CG LEU B 89 30.210 -8.943 3.466 1.00 0.00 C ATOM 762 CD1 LEU B 89 29.212 -8.215 4.353 1.00 0.00 C ATOM 763 CD2 LEU B 89 31.618 -8.818 4.029 1.00 0.00 C ATOM 0 H LEU B 89 29.230 -10.576 0.926 1.00 0.00 H new ATOM 0 HA LEU B 89 31.675 -10.856 2.322 1.00 0.00 H new ATOM 0 HB2 LEU B 89 28.775 -10.463 3.012 1.00 0.00 H new ATOM 0 HB3 LEU B 89 29.891 -10.889 4.294 1.00 0.00 H new ATOM 0 HG LEU B 89 30.193 -8.480 2.479 1.00 0.00 H new ATOM 0 HD11 LEU B 89 29.505 -7.169 4.448 1.00 0.00 H new ATOM 0 HD12 LEU B 89 28.219 -8.274 3.908 1.00 0.00 H new ATOM 0 HD13 LEU B 89 29.196 -8.679 5.339 1.00 0.00 H new ATOM 0 HD21 LEU B 89 31.878 -7.764 4.129 1.00 0.00 H new ATOM 0 HD22 LEU B 89 31.663 -9.297 5.007 1.00 0.00 H new ATOM 0 HD23 LEU B 89 32.324 -9.303 3.355 1.00 0.00 H new ATOM 775 N LEU B 90 29.522 -13.352 2.642 1.00 0.00 N ATOM 776 CA LEU B 90 29.408 -14.759 3.011 1.00 0.00 C ATOM 777 C LEU B 90 30.430 -15.604 2.257 1.00 0.00 C ATOM 778 O LEU B 90 31.148 -16.406 2.855 1.00 0.00 O ATOM 779 CB LEU B 90 27.995 -15.270 2.722 1.00 0.00 C ATOM 780 CG LEU B 90 27.487 -16.389 3.632 1.00 0.00 C ATOM 781 CD1 LEU B 90 25.986 -16.267 3.841 1.00 0.00 C ATOM 782 CD2 LEU B 90 27.838 -17.751 3.049 1.00 0.00 C ATOM 0 H LEU B 90 28.655 -12.933 2.307 1.00 0.00 H new ATOM 0 HA LEU B 90 29.608 -14.846 4.079 1.00 0.00 H new ATOM 0 HB2 LEU B 90 27.305 -14.430 2.793 1.00 0.00 H new ATOM 0 HB3 LEU B 90 27.962 -15.624 1.691 1.00 0.00 H new ATOM 0 HG LEU B 90 27.977 -16.294 4.601 1.00 0.00 H new ATOM 0 HD11 LEU B 90 25.643 -17.072 4.491 1.00 0.00 H new ATOM 0 HD12 LEU B 90 25.760 -15.306 4.303 1.00 0.00 H new ATOM 0 HD13 LEU B 90 25.478 -16.336 2.879 1.00 0.00 H new ATOM 0 HD21 LEU B 90 27.469 -18.536 3.710 1.00 0.00 H new ATOM 0 HD22 LEU B 90 27.376 -17.856 2.067 1.00 0.00 H new ATOM 0 HD23 LEU B 90 28.920 -17.837 2.952 1.00 0.00 H new ATOM 794 N ILE B 91 30.492 -15.416 0.943 1.00 0.00 N ATOM 795 CA ILE B 91 31.429 -16.158 0.109 1.00 0.00 C ATOM 796 C ILE B 91 32.871 -15.811 0.460 1.00 0.00 C ATOM 797 O ILE B 91 33.667 -16.688 0.797 1.00 0.00 O ATOM 798 CB ILE B 91 31.195 -15.877 -1.387 1.00 0.00 C ATOM 799 CG1 ILE B 91 29.767 -16.260 -1.783 1.00 0.00 C ATOM 800 CG2 ILE B 91 32.207 -16.636 -2.233 1.00 0.00 C ATOM 801 CD1 ILE B 91 29.450 -15.986 -3.237 1.00 0.00 C ATOM 0 H ILE B 91 29.904 -14.756 0.433 1.00 0.00 H new ATOM 0 HA ILE B 91 31.255 -17.216 0.303 1.00 0.00 H new ATOM 0 HB ILE B 91 31.328 -14.810 -1.567 1.00 0.00 H new ATOM 0 HG12 ILE B 91 29.614 -17.320 -1.579 1.00 0.00 H new ATOM 0 HG13 ILE B 91 29.065 -15.710 -1.156 1.00 0.00 H new ATOM 0 HG21 ILE B 91 32.029 -16.427 -3.288 1.00 0.00 H new ATOM 0 HG22 ILE B 91 33.215 -16.319 -1.966 1.00 0.00 H new ATOM 0 HG23 ILE B 91 32.103 -17.706 -2.052 1.00 0.00 H new ATOM 0 HD11 ILE B 91 28.422 -16.281 -3.447 1.00 0.00 H new ATOM 0 HD12 ILE B 91 29.571 -14.922 -3.442 1.00 0.00 H new ATOM 0 HD13 ILE B 91 30.128 -16.557 -3.871 1.00 0.00 H new ATOM 813 N SER B 92 33.202 -14.526 0.382 1.00 0.00 N ATOM 814 CA SER B 92 34.549 -14.063 0.690 1.00 0.00 C ATOM 815 C SER B 92 34.971 -14.508 2.087 1.00 0.00 C ATOM 816 O SER B 92 36.160 -14.636 2.377 1.00 0.00 O ATOM 817 CB SER B 92 34.624 -12.539 0.583 1.00 0.00 C ATOM 818 OG SER B 92 35.959 -12.083 0.720 1.00 0.00 O ATOM 0 H SER B 92 32.555 -13.787 0.108 1.00 0.00 H new ATOM 0 HA SER B 92 35.233 -14.505 -0.035 1.00 0.00 H new ATOM 0 HB2 SER B 92 34.224 -12.219 -0.379 1.00 0.00 H new ATOM 0 HB3 SER B 92 34.001 -12.086 1.354 1.00 0.00 H new ATOM 0 HG SER B 92 35.980 -11.106 0.646 1.00 0.00 H new ATOM 824 N TYR B 93 33.987 -14.743 2.948 1.00 0.00 N ATOM 825 CA TYR B 93 34.254 -15.171 4.315 1.00 0.00 C ATOM 826 C TYR B 93 34.797 -16.597 4.343 1.00 0.00 C ATOM 827 O TYR B 93 35.835 -16.867 4.947 1.00 0.00 O ATOM 828 CB TYR B 93 32.981 -15.082 5.158 1.00 0.00 C ATOM 829 CG TYR B 93 33.199 -15.398 6.620 1.00 0.00 C ATOM 830 CD1 TYR B 93 33.799 -14.476 7.469 1.00 0.00 C ATOM 831 CD2 TYR B 93 32.806 -16.620 7.154 1.00 0.00 C ATOM 832 CE1 TYR B 93 34.001 -14.761 8.806 1.00 0.00 C ATOM 833 CE2 TYR B 93 33.002 -16.913 8.489 1.00 0.00 C ATOM 834 CZ TYR B 93 33.601 -15.980 9.311 1.00 0.00 C ATOM 835 OH TYR B 93 33.800 -16.269 10.642 1.00 0.00 O ATOM 0 H TYR B 93 32.997 -14.644 2.723 1.00 0.00 H new ATOM 0 HA TYR B 93 35.008 -14.506 4.736 1.00 0.00 H new ATOM 0 HB2 TYR B 93 32.567 -14.078 5.070 1.00 0.00 H new ATOM 0 HB3 TYR B 93 32.239 -15.770 4.753 1.00 0.00 H new ATOM 0 HD1 TYR B 93 34.113 -13.520 7.077 1.00 0.00 H new ATOM 0 HD2 TYR B 93 32.339 -17.353 6.513 1.00 0.00 H new ATOM 0 HE1 TYR B 93 34.470 -14.033 9.452 1.00 0.00 H new ATOM 0 HE2 TYR B 93 32.688 -17.867 8.888 1.00 0.00 H new ATOM 0 HH TYR B 93 33.461 -17.168 10.836 1.00 0.00 H new