USER MOD reduce.3.24.130724 H: found=0, std=0, add=316, rem=0, adj=6 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 54:sc= -0.213 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot 65:sc= -0.991! USER MOD Single : B 92 SER OG : rot -31:sc= 0.354 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N LEU A 75 9.500 -5.090 -4.104 1.00 0.00 N ATOM 79 CA LEU A 75 10.738 -4.410 -4.467 1.00 0.00 C ATOM 80 C LEU A 75 11.936 -5.054 -3.776 1.00 0.00 C ATOM 81 O LEU A 75 13.021 -5.147 -4.351 1.00 0.00 O ATOM 82 CB LEU A 75 10.657 -2.928 -4.096 1.00 0.00 C ATOM 83 CG LEU A 75 9.719 -2.073 -4.948 1.00 0.00 C ATOM 84 CD1 LEU A 75 9.351 -0.792 -4.215 1.00 0.00 C ATOM 85 CD2 LEU A 75 10.360 -1.755 -6.291 1.00 0.00 C ATOM 0 HA LEU A 75 10.871 -4.502 -5.545 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.341 -2.851 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.659 -2.503 -4.157 1.00 0.00 H new ATOM 0 HG LEU A 75 8.806 -2.640 -5.129 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.683 -0.196 -4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.851 -1.039 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.255 -0.221 -4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.678 -1.146 -6.884 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.289 -1.208 -6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.572 -2.683 -6.822 1.00 0.00 H new ATOM 97 N ILE A 76 11.731 -5.499 -2.541 1.00 0.00 N ATOM 98 CA ILE A 76 12.792 -6.138 -1.774 1.00 0.00 C ATOM 99 C ILE A 76 13.176 -7.483 -2.381 1.00 0.00 C ATOM 100 O ILE A 76 14.354 -7.839 -2.431 1.00 0.00 O ATOM 101 CB ILE A 76 12.377 -6.350 -0.306 1.00 0.00 C ATOM 102 CG1 ILE A 76 12.011 -5.012 0.341 1.00 0.00 C ATOM 103 CG2 ILE A 76 13.496 -7.030 0.469 1.00 0.00 C ATOM 104 CD1 ILE A 76 11.127 -5.153 1.561 1.00 0.00 C ATOM 0 H ILE A 76 10.840 -5.429 -2.050 1.00 0.00 H new ATOM 0 HA ILE A 76 13.651 -5.468 -1.807 1.00 0.00 H new ATOM 0 HB ILE A 76 11.500 -6.997 -0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.926 -4.492 0.624 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.504 -4.388 -0.395 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.187 -7.173 1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.714 -7.998 0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.390 -6.407 0.440 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.908 -4.166 1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.196 -5.645 1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.640 -5.750 2.315 1.00 0.00 H new ATOM 116 N ILE A 77 12.175 -8.225 -2.842 1.00 0.00 N ATOM 117 CA ILE A 77 12.408 -9.530 -3.448 1.00 0.00 C ATOM 118 C ILE A 77 13.177 -9.398 -4.759 1.00 0.00 C ATOM 119 O ILE A 77 14.264 -9.955 -4.912 1.00 0.00 O ATOM 120 CB ILE A 77 11.085 -10.272 -3.715 1.00 0.00 C ATOM 121 CG1 ILE A 77 10.376 -10.585 -2.396 1.00 0.00 C ATOM 122 CG2 ILE A 77 11.343 -11.549 -4.500 1.00 0.00 C ATOM 123 CD1 ILE A 77 8.868 -10.622 -2.514 1.00 0.00 C ATOM 0 H ILE A 77 11.195 -7.945 -2.807 1.00 0.00 H new ATOM 0 HA ILE A 77 13.001 -10.106 -2.737 1.00 0.00 H new ATOM 0 HB ILE A 77 10.438 -9.628 -4.310 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.727 -11.548 -2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.656 -9.836 -1.656 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.398 -12.062 -4.681 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.810 -11.302 -5.453 1.00 0.00 H new ATOM 0 HG23 ILE A 77 12.006 -12.199 -3.929 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.432 -10.849 -1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.506 -9.652 -2.856 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.578 -11.391 -3.230 1.00 0.00 H new ATOM 135 N PHE A 78 12.606 -8.655 -5.701 1.00 0.00 N ATOM 136 CA PHE A 78 13.237 -8.448 -6.999 1.00 0.00 C ATOM 137 C PHE A 78 14.586 -7.752 -6.842 1.00 0.00 C ATOM 138 O PHE A 78 15.507 -7.977 -7.626 1.00 0.00 O ATOM 139 CB PHE A 78 12.326 -7.620 -7.907 1.00 0.00 C ATOM 140 CG PHE A 78 12.985 -7.189 -9.186 1.00 0.00 C ATOM 141 CD1 PHE A 78 13.702 -6.005 -9.246 1.00 0.00 C ATOM 142 CD2 PHE A 78 12.888 -7.968 -10.327 1.00 0.00 C ATOM 143 CE1 PHE A 78 14.309 -5.606 -10.422 1.00 0.00 C ATOM 144 CE2 PHE A 78 13.493 -7.574 -11.506 1.00 0.00 C ATOM 145 CZ PHE A 78 14.206 -6.392 -11.553 1.00 0.00 C ATOM 0 H PHE A 78 11.707 -8.186 -5.590 1.00 0.00 H new ATOM 0 HA PHE A 78 13.402 -9.424 -7.455 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.436 -8.203 -8.145 1.00 0.00 H new ATOM 0 HB3 PHE A 78 11.992 -6.736 -7.364 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.788 -5.387 -8.364 1.00 0.00 H new ATOM 0 HD2 PHE A 78 12.333 -8.894 -10.295 1.00 0.00 H new ATOM 0 HE1 PHE A 78 14.864 -4.680 -10.456 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.408 -8.190 -12.389 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.682 -6.083 -12.472 1.00 0.00 H new ATOM 155 N GLY A 79 14.694 -6.905 -5.823 1.00 0.00 N ATOM 156 CA GLY A 79 15.933 -6.188 -5.582 1.00 0.00 C ATOM 157 C GLY A 79 17.054 -7.104 -5.131 1.00 0.00 C ATOM 158 O GLY A 79 18.051 -7.269 -5.834 1.00 0.00 O ATOM 0 H GLY A 79 13.946 -6.702 -5.160 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.234 -5.672 -6.494 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.765 -5.423 -4.824 1.00 0.00 H new ATOM 162 N VAL A 80 16.892 -7.699 -3.954 1.00 0.00 N ATOM 163 CA VAL A 80 17.898 -8.603 -3.409 1.00 0.00 C ATOM 164 C VAL A 80 18.192 -9.745 -4.376 1.00 0.00 C ATOM 165 O VAL A 80 19.330 -10.203 -4.483 1.00 0.00 O ATOM 166 CB VAL A 80 17.452 -9.190 -2.057 1.00 0.00 C ATOM 167 CG1 VAL A 80 18.506 -10.144 -1.516 1.00 0.00 C ATOM 168 CG2 VAL A 80 17.167 -8.077 -1.061 1.00 0.00 C ATOM 0 H VAL A 80 16.073 -7.571 -3.359 1.00 0.00 H new ATOM 0 HA VAL A 80 18.804 -8.016 -3.259 1.00 0.00 H new ATOM 0 HB VAL A 80 16.531 -9.753 -2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.174 -10.549 -0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.656 -10.960 -2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.445 -9.608 -1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.853 -8.510 -0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.069 -7.485 -0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.374 -7.437 -1.448 1.00 0.00 H new ATOM 178 N MET A 81 17.159 -10.200 -5.077 1.00 0.00 N ATOM 179 CA MET A 81 17.307 -11.288 -6.036 1.00 0.00 C ATOM 180 C MET A 81 18.197 -10.868 -7.202 1.00 0.00 C ATOM 181 O MET A 81 19.103 -11.600 -7.598 1.00 0.00 O ATOM 182 CB MET A 81 15.938 -11.727 -6.557 1.00 0.00 C ATOM 183 CG MET A 81 15.180 -12.625 -5.593 1.00 0.00 C ATOM 184 SD MET A 81 15.737 -14.339 -5.657 1.00 0.00 S ATOM 185 CE MET A 81 16.055 -14.657 -3.923 1.00 0.00 C ATOM 0 H MET A 81 16.211 -9.832 -4.999 1.00 0.00 H new ATOM 0 HA MET A 81 17.779 -12.127 -5.525 1.00 0.00 H new ATOM 0 HB2 MET A 81 15.337 -10.842 -6.765 1.00 0.00 H new ATOM 0 HB3 MET A 81 16.070 -12.253 -7.503 1.00 0.00 H new ATOM 0 HG2 MET A 81 15.300 -12.246 -4.578 1.00 0.00 H new ATOM 0 HG3 MET A 81 14.116 -12.584 -5.825 1.00 0.00 H new ATOM 0 HE1 MET A 81 16.408 -15.681 -3.800 1.00 0.00 H new ATOM 0 HE2 MET A 81 16.815 -13.965 -3.560 1.00 0.00 H new ATOM 0 HE3 MET A 81 15.136 -14.519 -3.353 1.00 0.00 H new ATOM 195 N ALA A 82 17.932 -9.685 -7.746 1.00 0.00 N ATOM 196 CA ALA A 82 18.710 -9.168 -8.865 1.00 0.00 C ATOM 197 C ALA A 82 20.167 -8.957 -8.469 1.00 0.00 C ATOM 198 O ALA A 82 21.078 -9.222 -9.252 1.00 0.00 O ATOM 199 CB ALA A 82 18.105 -7.867 -9.371 1.00 0.00 C ATOM 0 H ALA A 82 17.185 -9.067 -7.430 1.00 0.00 H new ATOM 0 HA ALA A 82 18.682 -9.905 -9.667 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.696 -7.492 -10.207 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.082 -8.046 -9.701 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.103 -7.130 -8.568 1.00 0.00 H new ATOM 205 N GLY A 83 20.381 -8.477 -7.247 1.00 0.00 N ATOM 206 CA GLY A 83 21.730 -8.238 -6.770 1.00 0.00 C ATOM 207 C GLY A 83 22.468 -9.522 -6.451 1.00 0.00 C ATOM 208 O GLY A 83 23.545 -9.779 -6.990 1.00 0.00 O ATOM 0 H GLY A 83 19.644 -8.250 -6.580 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.286 -7.681 -7.525 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.691 -7.614 -5.877 1.00 0.00 H new ATOM 212 N VAL A 84 21.890 -10.333 -5.570 1.00 0.00 N ATOM 213 CA VAL A 84 22.500 -11.598 -5.179 1.00 0.00 C ATOM 214 C VAL A 84 22.795 -12.466 -6.397 1.00 0.00 C ATOM 215 O VAL A 84 23.900 -12.986 -6.549 1.00 0.00 O ATOM 216 CB VAL A 84 21.595 -12.382 -4.211 1.00 0.00 C ATOM 217 CG1 VAL A 84 22.208 -13.735 -3.884 1.00 0.00 C ATOM 218 CG2 VAL A 84 21.350 -11.579 -2.942 1.00 0.00 C ATOM 0 H VAL A 84 20.999 -10.136 -5.113 1.00 0.00 H new ATOM 0 HA VAL A 84 23.435 -11.355 -4.674 1.00 0.00 H new ATOM 0 HB VAL A 84 20.635 -12.553 -4.697 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.554 -14.275 -3.199 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.327 -14.312 -4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.182 -13.590 -3.417 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.708 -12.148 -2.269 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.301 -11.376 -2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.864 -10.637 -3.196 1.00 0.00 H new ATOM 228 N ILE A 85 21.799 -12.617 -7.264 1.00 0.00 N ATOM 229 CA ILE A 85 21.952 -13.420 -8.471 1.00 0.00 C ATOM 230 C ILE A 85 23.007 -12.825 -9.397 1.00 0.00 C ATOM 231 O ILE A 85 23.891 -13.531 -9.882 1.00 0.00 O ATOM 232 CB ILE A 85 20.622 -13.543 -9.238 1.00 0.00 C ATOM 233 CG1 ILE A 85 19.601 -14.327 -8.411 1.00 0.00 C ATOM 234 CG2 ILE A 85 20.847 -14.213 -10.585 1.00 0.00 C ATOM 235 CD1 ILE A 85 19.991 -15.770 -8.180 1.00 0.00 C ATOM 0 H ILE A 85 20.878 -12.194 -7.153 1.00 0.00 H new ATOM 0 HA ILE A 85 22.271 -14.412 -8.151 1.00 0.00 H new ATOM 0 HB ILE A 85 20.227 -12.542 -9.413 1.00 0.00 H new ATOM 0 HG12 ILE A 85 19.472 -13.835 -7.447 1.00 0.00 H new ATOM 0 HG13 ILE A 85 18.636 -14.296 -8.916 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.898 -14.293 -11.115 1.00 0.00 H new ATOM 0 HG22 ILE A 85 21.543 -13.618 -11.176 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.261 -15.209 -10.431 1.00 0.00 H new ATOM 0 HD11 ILE A 85 19.222 -16.264 -7.587 1.00 0.00 H new ATOM 0 HD12 ILE A 85 20.092 -16.278 -9.139 1.00 0.00 H new ATOM 0 HD13 ILE A 85 20.941 -15.809 -7.647 1.00 0.00 H new ATOM 247 N GLY A 86 22.909 -11.521 -9.636 1.00 0.00 N ATOM 248 CA GLY A 86 23.863 -10.852 -10.502 1.00 0.00 C ATOM 249 C GLY A 86 25.286 -10.960 -9.990 1.00 0.00 C ATOM 250 O GLY A 86 26.227 -11.102 -10.772 1.00 0.00 O ATOM 0 H GLY A 86 22.187 -10.916 -9.246 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.806 -11.283 -11.502 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.592 -9.800 -10.592 1.00 0.00 H new ATOM 254 N THR A 87 25.445 -10.890 -8.672 1.00 0.00 N ATOM 255 CA THR A 87 26.763 -10.977 -8.056 1.00 0.00 C ATOM 256 C THR A 87 27.356 -12.371 -8.220 1.00 0.00 C ATOM 257 O THR A 87 28.437 -12.534 -8.787 1.00 0.00 O ATOM 258 CB THR A 87 26.707 -10.628 -6.557 1.00 0.00 C ATOM 259 OG1 THR A 87 26.126 -9.332 -6.377 1.00 0.00 O ATOM 260 CG2 THR A 87 28.098 -10.656 -5.942 1.00 0.00 C ATOM 0 H THR A 87 24.677 -10.773 -8.011 1.00 0.00 H new ATOM 0 HA THR A 87 27.398 -10.253 -8.566 1.00 0.00 H new ATOM 0 HB THR A 87 26.091 -11.374 -6.056 1.00 0.00 H new ATOM 0 HG1 THR A 87 25.255 -9.299 -6.826 1.00 0.00 H new ATOM 0 HG21 THR A 87 28.033 -10.406 -4.883 1.00 0.00 H new ATOM 0 HG22 THR A 87 28.525 -11.652 -6.054 1.00 0.00 H new ATOM 0 HG23 THR A 87 28.734 -9.929 -6.448 1.00 0.00 H new ATOM 268 N ILE A 88 26.642 -13.375 -7.721 1.00 0.00 N ATOM 269 CA ILE A 88 27.097 -14.756 -7.815 1.00 0.00 C ATOM 270 C ILE A 88 27.375 -15.147 -9.262 1.00 0.00 C ATOM 271 O ILE A 88 28.325 -15.877 -9.549 1.00 0.00 O ATOM 272 CB ILE A 88 26.063 -15.731 -7.221 1.00 0.00 C ATOM 273 CG1 ILE A 88 25.786 -15.385 -5.757 1.00 0.00 C ATOM 274 CG2 ILE A 88 26.554 -17.166 -7.348 1.00 0.00 C ATOM 275 CD1 ILE A 88 24.631 -16.159 -5.161 1.00 0.00 C ATOM 0 H ILE A 88 25.746 -13.257 -7.248 1.00 0.00 H new ATOM 0 HA ILE A 88 28.020 -14.823 -7.240 1.00 0.00 H new ATOM 0 HB ILE A 88 25.132 -15.635 -7.780 1.00 0.00 H new ATOM 0 HG12 ILE A 88 26.684 -15.579 -5.170 1.00 0.00 H new ATOM 0 HG13 ILE A 88 25.577 -14.318 -5.677 1.00 0.00 H new ATOM 0 HG21 ILE A 88 25.813 -17.843 -6.924 1.00 0.00 H new ATOM 0 HG22 ILE A 88 26.706 -17.407 -8.400 1.00 0.00 H new ATOM 0 HG23 ILE A 88 27.496 -17.277 -6.811 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.492 -15.862 -4.121 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.722 -15.946 -5.723 1.00 0.00 H new ATOM 0 HD13 ILE A 88 24.846 -17.227 -5.208 1.00 0.00 H new ATOM 287 N LEU A 89 26.541 -14.655 -10.172 1.00 0.00 N ATOM 288 CA LEU A 89 26.697 -14.951 -11.592 1.00 0.00 C ATOM 289 C LEU A 89 27.994 -14.357 -12.133 1.00 0.00 C ATOM 290 O LEU A 89 28.825 -15.066 -12.702 1.00 0.00 O ATOM 291 CB LEU A 89 25.505 -14.406 -12.381 1.00 0.00 C ATOM 292 CG LEU A 89 24.287 -15.325 -12.476 1.00 0.00 C ATOM 293 CD1 LEU A 89 23.098 -14.577 -13.060 1.00 0.00 C ATOM 294 CD2 LEU A 89 24.609 -16.554 -13.313 1.00 0.00 C ATOM 0 H LEU A 89 25.750 -14.050 -9.952 1.00 0.00 H new ATOM 0 HA LEU A 89 26.738 -16.034 -11.710 1.00 0.00 H new ATOM 0 HB2 LEU A 89 25.192 -13.467 -11.925 1.00 0.00 H new ATOM 0 HB3 LEU A 89 25.840 -14.174 -13.392 1.00 0.00 H new ATOM 0 HG LEU A 89 24.025 -15.654 -11.470 1.00 0.00 H new ATOM 0 HD11 LEU A 89 22.240 -15.247 -13.120 1.00 0.00 H new ATOM 0 HD12 LEU A 89 22.852 -13.729 -12.421 1.00 0.00 H new ATOM 0 HD13 LEU A 89 23.349 -14.218 -14.058 1.00 0.00 H new ATOM 0 HD21 LEU A 89 23.730 -17.196 -13.369 1.00 0.00 H new ATOM 0 HD22 LEU A 89 24.897 -16.245 -14.318 1.00 0.00 H new ATOM 0 HD23 LEU A 89 25.431 -17.103 -12.853 1.00 0.00 H new ATOM 306 N LEU A 90 28.162 -13.052 -11.950 1.00 0.00 N ATOM 307 CA LEU A 90 29.359 -12.362 -12.417 1.00 0.00 C ATOM 308 C LEU A 90 30.619 -13.041 -11.891 1.00 0.00 C ATOM 309 O LEU A 90 31.548 -13.320 -12.650 1.00 0.00 O ATOM 310 CB LEU A 90 29.332 -10.897 -11.975 1.00 0.00 C ATOM 311 CG LEU A 90 30.043 -9.905 -12.897 1.00 0.00 C ATOM 312 CD1 LEU A 90 29.336 -8.559 -12.877 1.00 0.00 C ATOM 313 CD2 LEU A 90 31.501 -9.750 -12.491 1.00 0.00 C ATOM 0 H LEU A 90 27.484 -12.451 -11.482 1.00 0.00 H new ATOM 0 HA LEU A 90 29.373 -12.406 -13.506 1.00 0.00 H new ATOM 0 HB2 LEU A 90 28.292 -10.588 -11.875 1.00 0.00 H new ATOM 0 HB3 LEU A 90 29.782 -10.829 -10.985 1.00 0.00 H new ATOM 0 HG LEU A 90 30.010 -10.295 -13.914 1.00 0.00 H new ATOM 0 HD11 LEU A 90 29.855 -7.865 -13.538 1.00 0.00 H new ATOM 0 HD12 LEU A 90 28.308 -8.683 -13.216 1.00 0.00 H new ATOM 0 HD13 LEU A 90 29.338 -8.162 -11.862 1.00 0.00 H new ATOM 0 HD21 LEU A 90 31.991 -9.041 -13.158 1.00 0.00 H new ATOM 0 HD22 LEU A 90 31.556 -9.382 -11.466 1.00 0.00 H new ATOM 0 HD23 LEU A 90 32.002 -10.716 -12.557 1.00 0.00 H new ATOM 325 N ILE A 91 30.643 -13.305 -10.589 1.00 0.00 N ATOM 326 CA ILE A 91 31.788 -13.954 -9.963 1.00 0.00 C ATOM 327 C ILE A 91 31.970 -15.374 -10.489 1.00 0.00 C ATOM 328 O ILE A 91 33.033 -15.726 -11.001 1.00 0.00 O ATOM 329 CB ILE A 91 31.640 -14.002 -8.431 1.00 0.00 C ATOM 330 CG1 ILE A 91 31.506 -12.586 -7.866 1.00 0.00 C ATOM 331 CG2 ILE A 91 32.828 -14.717 -7.806 1.00 0.00 C ATOM 332 CD1 ILE A 91 31.349 -12.548 -6.362 1.00 0.00 C ATOM 0 H ILE A 91 29.883 -13.079 -9.947 1.00 0.00 H new ATOM 0 HA ILE A 91 32.665 -13.359 -10.217 1.00 0.00 H new ATOM 0 HB ILE A 91 30.736 -14.559 -8.185 1.00 0.00 H new ATOM 0 HG12 ILE A 91 32.386 -12.007 -8.146 1.00 0.00 H new ATOM 0 HG13 ILE A 91 30.645 -12.100 -8.325 1.00 0.00 H new ATOM 0 HG21 ILE A 91 32.709 -14.743 -6.723 1.00 0.00 H new ATOM 0 HG22 ILE A 91 32.882 -15.736 -8.189 1.00 0.00 H new ATOM 0 HG23 ILE A 91 33.746 -14.186 -8.057 1.00 0.00 H new ATOM 0 HD11 ILE A 91 31.260 -11.513 -6.032 1.00 0.00 H new ATOM 0 HD12 ILE A 91 30.453 -13.099 -6.076 1.00 0.00 H new ATOM 0 HD13 ILE A 91 32.221 -13.004 -5.894 1.00 0.00 H new ATOM 344 N SER A 92 30.925 -16.185 -10.361 1.00 0.00 N ATOM 345 CA SER A 92 30.970 -17.568 -10.821 1.00 0.00 C ATOM 346 C SER A 92 31.387 -17.639 -12.288 1.00 0.00 C ATOM 347 O SER A 92 31.928 -18.647 -12.743 1.00 0.00 O ATOM 348 CB SER A 92 29.606 -18.235 -10.634 1.00 0.00 C ATOM 349 OG SER A 92 29.538 -19.463 -11.337 1.00 0.00 O ATOM 0 H SER A 92 30.037 -15.908 -9.943 1.00 0.00 H new ATOM 0 HA SER A 92 31.711 -18.100 -10.224 1.00 0.00 H new ATOM 0 HB2 SER A 92 29.425 -18.409 -9.573 1.00 0.00 H new ATOM 0 HB3 SER A 92 28.820 -17.567 -10.986 1.00 0.00 H new ATOM 0 HG SER A 92 28.657 -19.870 -11.200 1.00 0.00 H new ATOM 355 N TYR A 93 31.129 -16.563 -13.022 1.00 0.00 N ATOM 356 CA TYR A 93 31.474 -16.502 -14.437 1.00 0.00 C ATOM 357 C TYR A 93 32.988 -16.499 -14.629 1.00 0.00 C ATOM 358 O TYR A 93 33.516 -17.192 -15.498 1.00 0.00 O ATOM 359 CB TYR A 93 30.865 -15.255 -15.079 1.00 0.00 C ATOM 360 CG TYR A 93 30.877 -15.285 -16.591 1.00 0.00 C ATOM 361 CD1 TYR A 93 32.053 -15.075 -17.301 1.00 0.00 C ATOM 362 CD2 TYR A 93 29.712 -15.524 -17.310 1.00 0.00 C ATOM 363 CE1 TYR A 93 32.068 -15.101 -18.682 1.00 0.00 C ATOM 364 CE2 TYR A 93 29.718 -15.553 -18.691 1.00 0.00 C ATOM 365 CZ TYR A 93 30.898 -15.340 -19.372 1.00 0.00 C ATOM 366 OH TYR A 93 30.909 -15.368 -20.748 1.00 0.00 O ATOM 0 H TYR A 93 30.682 -15.721 -12.660 1.00 0.00 H new ATOM 0 HA TYR A 93 31.066 -17.388 -14.923 1.00 0.00 H new ATOM 0 HB2 TYR A 93 29.837 -15.144 -14.734 1.00 0.00 H new ATOM 0 HB3 TYR A 93 31.412 -14.376 -14.737 1.00 0.00 H new ATOM 0 HD1 TYR A 93 32.971 -14.888 -16.764 1.00 0.00 H new ATOM 0 HD2 TYR A 93 28.786 -15.690 -16.780 1.00 0.00 H new ATOM 0 HE1 TYR A 93 32.991 -14.935 -19.218 1.00 0.00 H new ATOM 0 HE2 TYR A 93 28.804 -15.741 -19.234 1.00 0.00 H new ATOM 0 HH TYR A 93 30.005 -15.550 -21.079 1.00 0.00 H new ATOM 547 N LEU B 75 13.763 1.093 -1.231 1.00 0.00 N ATOM 548 CA LEU B 75 13.686 -0.345 -1.000 1.00 0.00 C ATOM 549 C LEU B 75 14.602 -1.100 -1.958 1.00 0.00 C ATOM 550 O LEU B 75 15.219 -2.098 -1.584 1.00 0.00 O ATOM 551 CB LEU B 75 12.245 -0.831 -1.164 1.00 0.00 C ATOM 552 CG LEU B 75 11.172 -0.002 -0.457 1.00 0.00 C ATOM 553 CD1 LEU B 75 9.786 -0.536 -0.781 1.00 0.00 C ATOM 554 CD2 LEU B 75 11.406 0.003 1.046 1.00 0.00 C ATOM 0 HA LEU B 75 14.016 -0.543 0.020 1.00 0.00 H new ATOM 0 HB2 LEU B 75 12.011 -0.859 -2.228 1.00 0.00 H new ATOM 0 HB3 LEU B 75 12.184 -1.856 -0.797 1.00 0.00 H new ATOM 0 HG LEU B 75 11.237 1.025 -0.818 1.00 0.00 H new ATOM 0 HD11 LEU B 75 9.035 0.066 -0.269 1.00 0.00 H new ATOM 0 HD12 LEU B 75 9.619 -0.486 -1.857 1.00 0.00 H new ATOM 0 HD13 LEU B 75 9.708 -1.571 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU B 75 10.633 0.598 1.533 1.00 0.00 H new ATOM 0 HD22 LEU B 75 11.369 -1.019 1.423 1.00 0.00 H new ATOM 0 HD23 LEU B 75 12.384 0.434 1.261 1.00 0.00 H new ATOM 566 N ILE B 76 14.687 -0.617 -3.192 1.00 0.00 N ATOM 567 CA ILE B 76 15.530 -1.244 -4.202 1.00 0.00 C ATOM 568 C ILE B 76 17.006 -1.124 -3.838 1.00 0.00 C ATOM 569 O ILE B 76 17.779 -2.065 -4.019 1.00 0.00 O ATOM 570 CB ILE B 76 15.303 -0.621 -5.592 1.00 0.00 C ATOM 571 CG1 ILE B 76 13.827 -0.719 -5.984 1.00 0.00 C ATOM 572 CG2 ILE B 76 16.179 -1.307 -6.629 1.00 0.00 C ATOM 573 CD1 ILE B 76 13.441 0.203 -7.119 1.00 0.00 C ATOM 0 H ILE B 76 14.182 0.207 -3.517 1.00 0.00 H new ATOM 0 HA ILE B 76 15.251 -2.297 -4.236 1.00 0.00 H new ATOM 0 HB ILE B 76 15.579 0.433 -5.551 1.00 0.00 H new ATOM 0 HG12 ILE B 76 13.603 -1.747 -6.269 1.00 0.00 H new ATOM 0 HG13 ILE B 76 13.212 -0.488 -5.114 1.00 0.00 H new ATOM 0 HG21 ILE B 76 16.007 -0.856 -7.606 1.00 0.00 H new ATOM 0 HG22 ILE B 76 17.227 -1.190 -6.354 1.00 0.00 H new ATOM 0 HG23 ILE B 76 15.931 -2.368 -6.671 1.00 0.00 H new ATOM 0 HD11 ILE B 76 12.381 0.080 -7.343 1.00 0.00 H new ATOM 0 HD12 ILE B 76 13.633 1.236 -6.830 1.00 0.00 H new ATOM 0 HD13 ILE B 76 14.030 -0.042 -8.003 1.00 0.00 H new ATOM 585 N ILE B 77 17.389 0.040 -3.323 1.00 0.00 N ATOM 586 CA ILE B 77 18.772 0.282 -2.931 1.00 0.00 C ATOM 587 C ILE B 77 19.171 -0.599 -1.752 1.00 0.00 C ATOM 588 O ILE B 77 20.123 -1.375 -1.838 1.00 0.00 O ATOM 589 CB ILE B 77 19.000 1.758 -2.554 1.00 0.00 C ATOM 590 CG1 ILE B 77 18.847 2.651 -3.788 1.00 0.00 C ATOM 591 CG2 ILE B 77 20.375 1.939 -1.930 1.00 0.00 C ATOM 592 CD1 ILE B 77 18.413 4.063 -3.461 1.00 0.00 C ATOM 0 H ILE B 77 16.762 0.829 -3.168 1.00 0.00 H new ATOM 0 HA ILE B 77 19.392 0.035 -3.793 1.00 0.00 H new ATOM 0 HB ILE B 77 18.249 2.051 -1.821 1.00 0.00 H new ATOM 0 HG12 ILE B 77 19.797 2.686 -4.322 1.00 0.00 H new ATOM 0 HG13 ILE B 77 18.118 2.203 -4.463 1.00 0.00 H new ATOM 0 HG21 ILE B 77 20.521 2.987 -1.669 1.00 0.00 H new ATOM 0 HG22 ILE B 77 20.450 1.327 -1.031 1.00 0.00 H new ATOM 0 HG23 ILE B 77 21.141 1.632 -2.642 1.00 0.00 H new ATOM 0 HD11 ILE B 77 18.325 4.639 -4.382 1.00 0.00 H new ATOM 0 HD12 ILE B 77 17.448 4.039 -2.954 1.00 0.00 H new ATOM 0 HD13 ILE B 77 19.153 4.530 -2.811 1.00 0.00 H new ATOM 604 N PHE B 78 18.437 -0.474 -0.652 1.00 0.00 N ATOM 605 CA PHE B 78 18.713 -1.260 0.545 1.00 0.00 C ATOM 606 C PHE B 78 18.599 -2.753 0.254 1.00 0.00 C ATOM 607 O PHE B 78 19.291 -3.570 0.860 1.00 0.00 O ATOM 608 CB PHE B 78 17.751 -0.872 1.669 1.00 0.00 C ATOM 609 CG PHE B 78 17.824 -1.783 2.862 1.00 0.00 C ATOM 610 CD1 PHE B 78 17.038 -2.921 2.931 1.00 0.00 C ATOM 611 CD2 PHE B 78 18.680 -1.500 3.914 1.00 0.00 C ATOM 612 CE1 PHE B 78 17.103 -3.760 4.027 1.00 0.00 C ATOM 613 CE2 PHE B 78 18.750 -2.335 5.013 1.00 0.00 C ATOM 614 CZ PHE B 78 17.961 -3.467 5.069 1.00 0.00 C ATOM 0 H PHE B 78 17.646 0.164 -0.564 1.00 0.00 H new ATOM 0 HA PHE B 78 19.734 -1.047 0.861 1.00 0.00 H new ATOM 0 HB2 PHE B 78 17.968 0.148 1.987 1.00 0.00 H new ATOM 0 HB3 PHE B 78 16.732 -0.875 1.282 1.00 0.00 H new ATOM 0 HD1 PHE B 78 16.366 -3.156 2.119 1.00 0.00 H new ATOM 0 HD2 PHE B 78 19.300 -0.616 3.875 1.00 0.00 H new ATOM 0 HE1 PHE B 78 16.484 -4.644 4.069 1.00 0.00 H new ATOM 0 HE2 PHE B 78 19.421 -2.103 5.827 1.00 0.00 H new ATOM 0 HZ PHE B 78 18.015 -4.122 5.926 1.00 0.00 H new ATOM 624 N GLY B 79 17.717 -3.103 -0.678 1.00 0.00 N ATOM 625 CA GLY B 79 17.526 -4.497 -1.033 1.00 0.00 C ATOM 626 C GLY B 79 18.727 -5.082 -1.750 1.00 0.00 C ATOM 627 O GLY B 79 19.384 -5.988 -1.238 1.00 0.00 O ATOM 0 H GLY B 79 17.132 -2.446 -1.193 1.00 0.00 H new ATOM 0 HA2 GLY B 79 17.329 -5.075 -0.130 1.00 0.00 H new ATOM 0 HA3 GLY B 79 16.646 -4.589 -1.670 1.00 0.00 H new ATOM 631 N VAL B 80 19.013 -4.565 -2.941 1.00 0.00 N ATOM 632 CA VAL B 80 20.142 -5.043 -3.730 1.00 0.00 C ATOM 633 C VAL B 80 21.445 -4.936 -2.946 1.00 0.00 C ATOM 634 O VAL B 80 22.327 -5.785 -3.071 1.00 0.00 O ATOM 635 CB VAL B 80 20.281 -4.253 -5.046 1.00 0.00 C ATOM 636 CG1 VAL B 80 21.374 -4.855 -5.917 1.00 0.00 C ATOM 637 CG2 VAL B 80 18.954 -4.218 -5.788 1.00 0.00 C ATOM 0 H VAL B 80 18.479 -3.815 -3.380 1.00 0.00 H new ATOM 0 HA VAL B 80 19.946 -6.090 -3.962 1.00 0.00 H new ATOM 0 HB VAL B 80 20.564 -3.228 -4.807 1.00 0.00 H new ATOM 0 HG11 VAL B 80 21.458 -4.284 -6.842 1.00 0.00 H new ATOM 0 HG12 VAL B 80 22.324 -4.823 -5.383 1.00 0.00 H new ATOM 0 HG13 VAL B 80 21.124 -5.890 -6.151 1.00 0.00 H new ATOM 0 HG21 VAL B 80 19.070 -3.656 -6.715 1.00 0.00 H new ATOM 0 HG22 VAL B 80 18.639 -5.236 -6.018 1.00 0.00 H new ATOM 0 HG23 VAL B 80 18.201 -3.737 -5.164 1.00 0.00 H new ATOM 647 N MET B 81 21.558 -3.888 -2.137 1.00 0.00 N ATOM 648 CA MET B 81 22.754 -3.671 -1.330 1.00 0.00 C ATOM 649 C MET B 81 22.913 -4.774 -0.288 1.00 0.00 C ATOM 650 O MET B 81 23.995 -5.338 -0.129 1.00 0.00 O ATOM 651 CB MET B 81 22.690 -2.307 -0.641 1.00 0.00 C ATOM 652 CG MET B 81 23.047 -1.147 -1.555 1.00 0.00 C ATOM 653 SD MET B 81 24.730 -0.553 -1.298 1.00 0.00 S ATOM 654 CE MET B 81 24.421 0.953 -0.379 1.00 0.00 C ATOM 0 H MET B 81 20.837 -3.176 -2.022 1.00 0.00 H new ATOM 0 HA MET B 81 23.619 -3.694 -1.993 1.00 0.00 H new ATOM 0 HB2 MET B 81 21.684 -2.154 -0.249 1.00 0.00 H new ATOM 0 HB3 MET B 81 23.368 -2.308 0.213 1.00 0.00 H new ATOM 0 HG2 MET B 81 22.930 -1.458 -2.593 1.00 0.00 H new ATOM 0 HG3 MET B 81 22.347 -0.328 -1.387 1.00 0.00 H new ATOM 0 HE1 MET B 81 25.369 1.437 -0.145 1.00 0.00 H new ATOM 0 HE2 MET B 81 23.808 1.626 -0.979 1.00 0.00 H new ATOM 0 HE3 MET B 81 23.897 0.714 0.547 1.00 0.00 H new ATOM 664 N ALA B 82 21.829 -5.075 0.419 1.00 0.00 N ATOM 665 CA ALA B 82 21.849 -6.111 1.444 1.00 0.00 C ATOM 666 C ALA B 82 22.163 -7.475 0.840 1.00 0.00 C ATOM 667 O ALA B 82 22.878 -8.279 1.436 1.00 0.00 O ATOM 668 CB ALA B 82 20.518 -6.151 2.180 1.00 0.00 C ATOM 0 H ALA B 82 20.926 -4.616 0.301 1.00 0.00 H new ATOM 0 HA ALA B 82 22.638 -5.868 2.156 1.00 0.00 H new ATOM 0 HB1 ALA B 82 20.547 -6.929 2.943 1.00 0.00 H new ATOM 0 HB2 ALA B 82 20.335 -5.186 2.653 1.00 0.00 H new ATOM 0 HB3 ALA B 82 19.717 -6.366 1.472 1.00 0.00 H new ATOM 674 N GLY B 83 21.622 -7.730 -0.348 1.00 0.00 N ATOM 675 CA GLY B 83 21.855 -8.999 -1.012 1.00 0.00 C ATOM 676 C GLY B 83 23.260 -9.111 -1.570 1.00 0.00 C ATOM 677 O GLY B 83 23.992 -10.047 -1.245 1.00 0.00 O ATOM 0 H GLY B 83 21.027 -7.080 -0.862 1.00 0.00 H new ATOM 0 HA2 GLY B 83 21.681 -9.812 -0.307 1.00 0.00 H new ATOM 0 HA3 GLY B 83 21.135 -9.120 -1.821 1.00 0.00 H new ATOM 681 N VAL B 84 23.639 -8.157 -2.414 1.00 0.00 N ATOM 682 CA VAL B 84 24.965 -8.153 -3.019 1.00 0.00 C ATOM 683 C VAL B 84 26.055 -8.211 -1.955 1.00 0.00 C ATOM 684 O VAL B 84 26.980 -9.018 -2.043 1.00 0.00 O ATOM 685 CB VAL B 84 25.181 -6.901 -3.891 1.00 0.00 C ATOM 686 CG1 VAL B 84 26.601 -6.867 -4.433 1.00 0.00 C ATOM 687 CG2 VAL B 84 24.167 -6.862 -5.025 1.00 0.00 C ATOM 0 H VAL B 84 23.046 -7.376 -2.694 1.00 0.00 H new ATOM 0 HA VAL B 84 25.028 -9.041 -3.648 1.00 0.00 H new ATOM 0 HB VAL B 84 25.033 -6.017 -3.271 1.00 0.00 H new ATOM 0 HG11 VAL B 84 26.735 -5.976 -5.046 1.00 0.00 H new ATOM 0 HG12 VAL B 84 27.307 -6.846 -3.603 1.00 0.00 H new ATOM 0 HG13 VAL B 84 26.780 -7.755 -5.039 1.00 0.00 H new ATOM 0 HG21 VAL B 84 24.333 -5.972 -5.631 1.00 0.00 H new ATOM 0 HG22 VAL B 84 24.281 -7.750 -5.646 1.00 0.00 H new ATOM 0 HG23 VAL B 84 23.159 -6.836 -4.611 1.00 0.00 H new ATOM 697 N ILE B 85 25.938 -7.350 -0.949 1.00 0.00 N ATOM 698 CA ILE B 85 26.913 -7.305 0.134 1.00 0.00 C ATOM 699 C ILE B 85 26.921 -8.611 0.921 1.00 0.00 C ATOM 700 O ILE B 85 27.978 -9.184 1.182 1.00 0.00 O ATOM 701 CB ILE B 85 26.629 -6.139 1.099 1.00 0.00 C ATOM 702 CG1 ILE B 85 26.779 -4.800 0.374 1.00 0.00 C ATOM 703 CG2 ILE B 85 27.561 -6.205 2.299 1.00 0.00 C ATOM 704 CD1 ILE B 85 26.172 -3.635 1.124 1.00 0.00 C ATOM 0 H ILE B 85 25.178 -6.675 -0.862 1.00 0.00 H new ATOM 0 HA ILE B 85 27.889 -7.155 -0.327 1.00 0.00 H new ATOM 0 HB ILE B 85 25.603 -6.224 1.456 1.00 0.00 H new ATOM 0 HG12 ILE B 85 27.838 -4.603 0.208 1.00 0.00 H new ATOM 0 HG13 ILE B 85 26.311 -4.873 -0.608 1.00 0.00 H new ATOM 0 HG21 ILE B 85 27.348 -5.374 2.972 1.00 0.00 H new ATOM 0 HG22 ILE B 85 27.409 -7.147 2.826 1.00 0.00 H new ATOM 0 HG23 ILE B 85 28.595 -6.141 1.960 1.00 0.00 H new ATOM 0 HD11 ILE B 85 26.316 -2.719 0.551 1.00 0.00 H new ATOM 0 HD12 ILE B 85 25.106 -3.810 1.267 1.00 0.00 H new ATOM 0 HD13 ILE B 85 26.657 -3.535 2.095 1.00 0.00 H new ATOM 716 N GLY B 86 25.734 -9.077 1.296 1.00 0.00 N ATOM 717 CA GLY B 86 25.626 -10.314 2.048 1.00 0.00 C ATOM 718 C GLY B 86 26.197 -11.501 1.297 1.00 0.00 C ATOM 719 O GLY B 86 26.803 -12.391 1.894 1.00 0.00 O ATOM 0 H GLY B 86 24.845 -8.620 1.093 1.00 0.00 H new ATOM 0 HA2 GLY B 86 26.148 -10.204 2.999 1.00 0.00 H new ATOM 0 HA3 GLY B 86 24.578 -10.504 2.280 1.00 0.00 H new ATOM 723 N THR B 87 26.001 -11.517 -0.018 1.00 0.00 N ATOM 724 CA THR B 87 26.498 -12.604 -0.851 1.00 0.00 C ATOM 725 C THR B 87 28.020 -12.593 -0.921 1.00 0.00 C ATOM 726 O THR B 87 28.675 -13.567 -0.551 1.00 0.00 O ATOM 727 CB THR B 87 25.929 -12.522 -2.281 1.00 0.00 C ATOM 728 OG1 THR B 87 24.498 -12.496 -2.237 1.00 0.00 O ATOM 729 CG2 THR B 87 26.395 -13.703 -3.118 1.00 0.00 C ATOM 0 H THR B 87 25.501 -10.789 -0.529 1.00 0.00 H new ATOM 0 HA THR B 87 26.166 -13.533 -0.388 1.00 0.00 H new ATOM 0 HB THR B 87 26.295 -11.605 -2.742 1.00 0.00 H new ATOM 0 HG1 THR B 87 24.199 -11.674 -1.795 1.00 0.00 H new ATOM 0 HG21 THR B 87 25.980 -13.623 -4.123 1.00 0.00 H new ATOM 0 HG22 THR B 87 27.484 -13.703 -3.173 1.00 0.00 H new ATOM 0 HG23 THR B 87 26.055 -14.631 -2.658 1.00 0.00 H new ATOM 737 N ILE B 88 28.577 -11.484 -1.398 1.00 0.00 N ATOM 738 CA ILE B 88 30.024 -11.346 -1.514 1.00 0.00 C ATOM 739 C ILE B 88 30.709 -11.587 -0.173 1.00 0.00 C ATOM 740 O ILE B 88 31.781 -12.190 -0.111 1.00 0.00 O ATOM 741 CB ILE B 88 30.416 -9.951 -2.035 1.00 0.00 C ATOM 742 CG1 ILE B 88 29.754 -9.683 -3.388 1.00 0.00 C ATOM 743 CG2 ILE B 88 31.929 -9.833 -2.147 1.00 0.00 C ATOM 744 CD1 ILE B 88 29.917 -8.258 -3.869 1.00 0.00 C ATOM 0 H ILE B 88 28.049 -10.669 -1.710 1.00 0.00 H new ATOM 0 HA ILE B 88 30.356 -12.099 -2.229 1.00 0.00 H new ATOM 0 HB ILE B 88 30.064 -9.202 -1.325 1.00 0.00 H new ATOM 0 HG12 ILE B 88 30.177 -10.359 -4.131 1.00 0.00 H new ATOM 0 HG13 ILE B 88 28.691 -9.914 -3.315 1.00 0.00 H new ATOM 0 HG21 ILE B 88 32.190 -8.841 -2.517 1.00 0.00 H new ATOM 0 HG22 ILE B 88 32.379 -9.985 -1.166 1.00 0.00 H new ATOM 0 HG23 ILE B 88 32.303 -10.588 -2.839 1.00 0.00 H new ATOM 0 HD11 ILE B 88 29.423 -8.141 -4.834 1.00 0.00 H new ATOM 0 HD12 ILE B 88 29.468 -7.576 -3.146 1.00 0.00 H new ATOM 0 HD13 ILE B 88 30.977 -8.029 -3.974 1.00 0.00 H new ATOM 756 N LEU B 89 30.082 -11.114 0.898 1.00 0.00 N ATOM 757 CA LEU B 89 30.629 -11.279 2.240 1.00 0.00 C ATOM 758 C LEU B 89 30.668 -12.752 2.635 1.00 0.00 C ATOM 759 O LEU B 89 31.713 -13.275 3.023 1.00 0.00 O ATOM 760 CB LEU B 89 29.798 -10.490 3.252 1.00 0.00 C ATOM 761 CG LEU B 89 30.150 -9.009 3.401 1.00 0.00 C ATOM 762 CD1 LEU B 89 29.189 -8.326 4.361 1.00 0.00 C ATOM 763 CD2 LEU B 89 31.587 -8.848 3.875 1.00 0.00 C ATOM 0 H LEU B 89 29.194 -10.613 0.863 1.00 0.00 H new ATOM 0 HA LEU B 89 31.649 -10.895 2.239 1.00 0.00 H new ATOM 0 HB2 LEU B 89 28.748 -10.567 2.968 1.00 0.00 H new ATOM 0 HB3 LEU B 89 29.900 -10.967 4.227 1.00 0.00 H new ATOM 0 HG LEU B 89 30.055 -8.532 2.425 1.00 0.00 H new ATOM 0 HD11 LEU B 89 29.455 -7.273 4.454 1.00 0.00 H new ATOM 0 HD12 LEU B 89 28.172 -8.411 3.979 1.00 0.00 H new ATOM 0 HD13 LEU B 89 29.250 -8.804 5.339 1.00 0.00 H new ATOM 0 HD21 LEU B 89 31.820 -7.788 3.976 1.00 0.00 H new ATOM 0 HD22 LEU B 89 31.709 -9.340 4.840 1.00 0.00 H new ATOM 0 HD23 LEU B 89 32.262 -9.301 3.149 1.00 0.00 H new ATOM 775 N LEU B 90 29.522 -13.417 2.531 1.00 0.00 N ATOM 776 CA LEU B 90 29.425 -14.831 2.875 1.00 0.00 C ATOM 777 C LEU B 90 30.447 -15.653 2.097 1.00 0.00 C ATOM 778 O LEU B 90 31.176 -16.462 2.672 1.00 0.00 O ATOM 779 CB LEU B 90 28.014 -15.349 2.591 1.00 0.00 C ATOM 780 CG LEU B 90 27.530 -16.499 3.476 1.00 0.00 C ATOM 781 CD1 LEU B 90 26.022 -16.433 3.659 1.00 0.00 C ATOM 782 CD2 LEU B 90 27.939 -17.838 2.881 1.00 0.00 C ATOM 0 H LEU B 90 28.648 -13.000 2.211 1.00 0.00 H new ATOM 0 HA LEU B 90 29.637 -14.936 3.939 1.00 0.00 H new ATOM 0 HB2 LEU B 90 27.316 -14.518 2.695 1.00 0.00 H new ATOM 0 HB3 LEU B 90 27.970 -15.674 1.551 1.00 0.00 H new ATOM 0 HG LEU B 90 27.999 -16.401 4.455 1.00 0.00 H new ATOM 0 HD11 LEU B 90 25.696 -17.259 4.291 1.00 0.00 H new ATOM 0 HD12 LEU B 90 25.754 -15.487 4.130 1.00 0.00 H new ATOM 0 HD13 LEU B 90 25.534 -16.505 2.687 1.00 0.00 H new ATOM 0 HD21 LEU B 90 27.586 -18.645 3.524 1.00 0.00 H new ATOM 0 HD22 LEU B 90 27.499 -17.945 1.890 1.00 0.00 H new ATOM 0 HD23 LEU B 90 29.025 -17.885 2.803 1.00 0.00 H new ATOM 794 N ILE B 91 30.496 -15.439 0.786 1.00 0.00 N ATOM 795 CA ILE B 91 31.432 -16.157 -0.070 1.00 0.00 C ATOM 796 C ILE B 91 32.875 -15.806 0.276 1.00 0.00 C ATOM 797 O ILE B 91 33.679 -16.684 0.591 1.00 0.00 O ATOM 798 CB ILE B 91 31.183 -15.848 -1.559 1.00 0.00 C ATOM 799 CG1 ILE B 91 29.757 -16.237 -1.952 1.00 0.00 C ATOM 800 CG2 ILE B 91 32.196 -16.578 -2.427 1.00 0.00 C ATOM 801 CD1 ILE B 91 29.429 -15.948 -3.400 1.00 0.00 C ATOM 0 H ILE B 91 29.899 -14.774 0.294 1.00 0.00 H new ATOM 0 HA ILE B 91 31.268 -17.220 0.105 1.00 0.00 H new ATOM 0 HB ILE B 91 31.303 -14.776 -1.718 1.00 0.00 H new ATOM 0 HG12 ILE B 91 29.613 -17.300 -1.761 1.00 0.00 H new ATOM 0 HG13 ILE B 91 29.054 -15.701 -1.315 1.00 0.00 H new ATOM 0 HG21 ILE B 91 32.008 -16.350 -3.476 1.00 0.00 H new ATOM 0 HG22 ILE B 91 33.203 -16.256 -2.161 1.00 0.00 H new ATOM 0 HG23 ILE B 91 32.105 -17.652 -2.267 1.00 0.00 H new ATOM 0 HD11 ILE B 91 28.402 -16.249 -3.608 1.00 0.00 H new ATOM 0 HD12 ILE B 91 29.540 -14.881 -3.592 1.00 0.00 H new ATOM 0 HD13 ILE B 91 30.108 -16.505 -4.045 1.00 0.00 H new ATOM 813 N SER B 92 33.196 -14.518 0.217 1.00 0.00 N ATOM 814 CA SER B 92 34.543 -14.051 0.523 1.00 0.00 C ATOM 815 C SER B 92 34.978 -14.517 1.909 1.00 0.00 C ATOM 816 O SER B 92 36.170 -14.641 2.189 1.00 0.00 O ATOM 817 CB SER B 92 34.607 -12.524 0.443 1.00 0.00 C ATOM 818 OG SER B 92 34.001 -11.928 1.577 1.00 0.00 O ATOM 0 H SER B 92 32.542 -13.779 -0.040 1.00 0.00 H new ATOM 0 HA SER B 92 35.224 -14.476 -0.215 1.00 0.00 H new ATOM 0 HB2 SER B 92 35.646 -12.204 0.372 1.00 0.00 H new ATOM 0 HB3 SER B 92 34.106 -12.183 -0.463 1.00 0.00 H new ATOM 0 HG SER B 92 33.272 -12.499 1.896 1.00 0.00 H new ATOM 824 N TYR B 93 34.002 -14.774 2.773 1.00 0.00 N ATOM 825 CA TYR B 93 34.283 -15.225 4.131 1.00 0.00 C ATOM 826 C TYR B 93 34.778 -16.668 4.135 1.00 0.00 C ATOM 827 O TYR B 93 35.833 -16.973 4.690 1.00 0.00 O ATOM 828 CB TYR B 93 33.030 -15.101 5.001 1.00 0.00 C ATOM 829 CG TYR B 93 33.268 -15.436 6.456 1.00 0.00 C ATOM 830 CD1 TYR B 93 33.168 -16.745 6.913 1.00 0.00 C ATOM 831 CD2 TYR B 93 33.592 -14.445 7.374 1.00 0.00 C ATOM 832 CE1 TYR B 93 33.383 -17.056 8.241 1.00 0.00 C ATOM 833 CE2 TYR B 93 33.811 -14.748 8.704 1.00 0.00 C ATOM 834 CZ TYR B 93 33.705 -16.055 9.133 1.00 0.00 C ATOM 835 OH TYR B 93 33.921 -16.360 10.457 1.00 0.00 O ATOM 0 H TYR B 93 33.010 -14.678 2.557 1.00 0.00 H new ATOM 0 HA TYR B 93 35.068 -14.590 4.542 1.00 0.00 H new ATOM 0 HB2 TYR B 93 32.647 -14.083 4.929 1.00 0.00 H new ATOM 0 HB3 TYR B 93 32.257 -15.761 4.607 1.00 0.00 H new ATOM 0 HD1 TYR B 93 32.918 -17.532 6.217 1.00 0.00 H new ATOM 0 HD2 TYR B 93 33.674 -13.420 7.042 1.00 0.00 H new ATOM 0 HE1 TYR B 93 33.299 -18.078 8.579 1.00 0.00 H new ATOM 0 HE2 TYR B 93 34.064 -13.966 9.404 1.00 0.00 H new ATOM 0 HH TYR B 93 34.139 -15.541 10.950 1.00 0.00 H new