USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 302 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 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 74 THR OG1 : 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 -50:sc= -0.97 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 196 N ILE A 73 12.253 -0.946 -18.198 1.00 0.00 N ATOM 197 CA ILE A 73 11.772 0.426 -18.304 1.00 0.00 C ATOM 198 C ILE A 73 11.440 0.782 -19.749 1.00 0.00 C ATOM 199 O ILE A 73 10.284 1.034 -20.089 1.00 0.00 O ATOM 200 CB ILE A 73 12.809 1.429 -17.765 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.160 1.103 -16.312 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.281 2.851 -17.882 1.00 0.00 C ATOM 203 CD1 ILE A 73 14.444 1.749 -15.840 1.00 0.00 C ATOM 0 HA ILE A 73 10.867 0.491 -17.699 1.00 0.00 H new ATOM 0 HB ILE A 73 13.716 1.348 -18.364 1.00 0.00 H new ATOM 0 HG12 ILE A 73 12.342 1.426 -15.668 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.245 0.022 -16.201 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.025 3.548 -17.497 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.078 3.079 -18.928 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.361 2.946 -17.305 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.629 1.474 -14.802 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.273 1.406 -16.460 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.356 2.833 -15.918 1.00 0.00 H new ATOM 215 N THR A 74 12.463 0.800 -20.599 1.00 0.00 N ATOM 216 CA THR A 74 12.281 1.124 -22.008 1.00 0.00 C ATOM 217 C THR A 74 11.056 0.420 -22.580 1.00 0.00 C ATOM 218 O THR A 74 10.271 1.019 -23.316 1.00 0.00 O ATOM 219 CB THR A 74 13.518 0.735 -22.838 1.00 0.00 C ATOM 220 OG1 THR A 74 14.686 1.368 -22.304 1.00 0.00 O ATOM 221 CG2 THR A 74 13.340 1.135 -24.295 1.00 0.00 C ATOM 0 H THR A 74 13.426 0.594 -20.335 1.00 0.00 H new ATOM 0 HA THR A 74 12.137 2.203 -22.069 1.00 0.00 H new ATOM 0 HB THR A 74 13.636 -0.347 -22.786 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.468 1.114 -22.837 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.227 0.850 -24.861 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.467 0.628 -24.707 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.198 2.214 -24.361 1.00 0.00 H new ATOM 229 N LEU A 75 10.898 -0.853 -22.237 1.00 0.00 N ATOM 230 CA LEU A 75 9.767 -1.640 -22.717 1.00 0.00 C ATOM 231 C LEU A 75 8.445 -0.978 -22.340 1.00 0.00 C ATOM 232 O LEU A 75 7.599 -0.727 -23.199 1.00 0.00 O ATOM 233 CB LEU A 75 9.824 -3.056 -22.141 1.00 0.00 C ATOM 234 CG LEU A 75 10.783 -4.024 -22.834 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.633 -5.425 -22.261 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.539 -4.032 -24.337 1.00 0.00 C ATOM 0 H LEU A 75 11.538 -1.363 -21.628 1.00 0.00 H new ATOM 0 HA LEU A 75 9.829 -1.694 -23.804 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.105 -2.988 -21.090 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.821 -3.482 -22.176 1.00 0.00 H new ATOM 0 HG LEU A 75 11.804 -3.686 -22.653 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.323 -6.101 -22.766 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.857 -5.408 -21.194 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.611 -5.772 -22.411 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.230 -4.726 -24.814 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.514 -4.345 -24.538 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.697 -3.030 -24.737 1.00 0.00 H new ATOM 248 N ILE A 76 8.276 -0.698 -21.053 1.00 0.00 N ATOM 249 CA ILE A 76 7.058 -0.062 -20.564 1.00 0.00 C ATOM 250 C ILE A 76 6.791 1.249 -21.294 1.00 0.00 C ATOM 251 O ILE A 76 5.658 1.537 -21.680 1.00 0.00 O ATOM 252 CB ILE A 76 7.136 0.212 -19.050 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.242 -1.103 -18.276 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.920 1.005 -18.593 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.074 -2.036 -18.506 1.00 0.00 C ATOM 0 H ILE A 76 8.966 -0.901 -20.330 1.00 0.00 H new ATOM 0 HA ILE A 76 6.240 -0.755 -20.758 1.00 0.00 H new ATOM 0 HB ILE A 76 8.029 0.803 -18.848 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.163 -1.610 -18.562 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.317 -0.883 -17.211 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.989 1.191 -17.521 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.885 1.956 -19.125 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.014 0.437 -18.805 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.217 -2.948 -17.926 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.151 -1.548 -18.193 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.011 -2.286 -19.565 1.00 0.00 H new ATOM 267 N ILE A 77 7.843 2.040 -21.481 1.00 0.00 N ATOM 268 CA ILE A 77 7.722 3.320 -22.168 1.00 0.00 C ATOM 269 C ILE A 77 7.293 3.128 -23.618 1.00 0.00 C ATOM 270 O ILE A 77 6.353 3.768 -24.089 1.00 0.00 O ATOM 271 CB ILE A 77 9.048 4.103 -22.136 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.424 4.455 -20.695 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.940 5.362 -22.983 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.521 5.496 -20.072 1.00 0.00 C ATOM 0 H ILE A 77 8.787 1.817 -21.167 1.00 0.00 H new ATOM 0 HA ILE A 77 6.959 3.891 -21.639 1.00 0.00 H new ATOM 0 HB ILE A 77 9.834 3.474 -22.553 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.394 3.550 -20.089 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.452 4.818 -20.675 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.885 5.905 -22.950 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.714 5.089 -24.014 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.144 5.996 -22.593 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.847 5.696 -19.051 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.570 6.416 -20.655 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.495 5.128 -20.060 1.00 0.00 H new ATOM 286 N PHE A 78 7.987 2.239 -24.322 1.00 0.00 N ATOM 287 CA PHE A 78 7.677 1.961 -25.719 1.00 0.00 C ATOM 288 C PHE A 78 6.213 1.565 -25.884 1.00 0.00 C ATOM 289 O PHE A 78 5.516 2.072 -26.762 1.00 0.00 O ATOM 290 CB PHE A 78 8.581 0.847 -26.252 1.00 0.00 C ATOM 291 CG PHE A 78 8.196 0.365 -27.621 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.667 1.009 -28.754 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.362 -0.731 -27.776 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.314 0.569 -30.016 1.00 0.00 C ATOM 295 CE2 PHE A 78 7.007 -1.176 -29.035 1.00 0.00 C ATOM 296 CZ PHE A 78 7.483 -0.525 -30.157 1.00 0.00 C ATOM 0 H PHE A 78 8.767 1.699 -23.948 1.00 0.00 H new ATOM 0 HA PHE A 78 7.855 2.871 -26.292 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.610 1.206 -26.278 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.555 0.006 -25.559 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.318 1.865 -28.650 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.985 -1.243 -26.903 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.688 1.080 -30.891 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.358 -2.032 -29.142 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.206 -0.871 -31.142 1.00 0.00 H new ATOM 306 N GLY A 79 5.752 0.655 -25.031 1.00 0.00 N ATOM 307 CA GLY A 79 4.374 0.206 -25.098 1.00 0.00 C ATOM 308 C GLY A 79 3.385 1.349 -24.984 1.00 0.00 C ATOM 309 O GLY A 79 2.524 1.523 -25.846 1.00 0.00 O ATOM 0 H GLY A 79 6.309 0.221 -24.295 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.211 -0.318 -26.040 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.190 -0.511 -24.298 1.00 0.00 H new ATOM 313 N VAL A 80 3.508 2.131 -23.915 1.00 0.00 N ATOM 314 CA VAL A 80 2.617 3.263 -23.691 1.00 0.00 C ATOM 315 C VAL A 80 2.745 4.293 -24.807 1.00 0.00 C ATOM 316 O VAL A 80 1.768 4.938 -25.185 1.00 0.00 O ATOM 317 CB VAL A 80 2.907 3.946 -22.341 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.925 5.081 -22.095 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.858 2.931 -21.209 1.00 0.00 C ATOM 0 H VAL A 80 4.215 2.001 -23.192 1.00 0.00 H new ATOM 0 HA VAL A 80 1.601 2.869 -23.680 1.00 0.00 H new ATOM 0 HB VAL A 80 3.911 4.368 -22.375 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.145 5.552 -21.137 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.016 5.820 -22.891 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.909 4.686 -22.080 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.065 3.431 -20.263 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.868 2.477 -21.170 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.606 2.157 -21.382 1.00 0.00 H new ATOM 329 N MET A 81 3.957 4.441 -25.332 1.00 0.00 N ATOM 330 CA MET A 81 4.213 5.392 -26.408 1.00 0.00 C ATOM 331 C MET A 81 3.484 4.979 -27.683 1.00 0.00 C ATOM 332 O MET A 81 2.852 5.804 -28.342 1.00 0.00 O ATOM 333 CB MET A 81 5.715 5.498 -26.677 1.00 0.00 C ATOM 334 CG MET A 81 6.458 6.340 -25.653 1.00 0.00 C ATOM 335 SD MET A 81 6.388 8.104 -26.021 1.00 0.00 S ATOM 336 CE MET A 81 8.104 8.437 -26.412 1.00 0.00 C ATOM 0 H MET A 81 4.777 3.915 -25.030 1.00 0.00 H new ATOM 0 HA MET A 81 3.838 6.366 -26.095 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.145 4.496 -26.692 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.869 5.926 -27.668 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.033 6.162 -24.665 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.500 6.022 -25.614 1.00 0.00 H new ATOM 0 HE1 MET A 81 8.222 9.491 -26.662 1.00 0.00 H new ATOM 0 HE2 MET A 81 8.727 8.196 -25.551 1.00 0.00 H new ATOM 0 HE3 MET A 81 8.409 7.826 -27.262 1.00 0.00 H new ATOM 346 N ALA A 82 3.576 3.698 -28.024 1.00 0.00 N ATOM 347 CA ALA A 82 2.923 3.177 -29.218 1.00 0.00 C ATOM 348 C ALA A 82 1.405 3.239 -29.087 1.00 0.00 C ATOM 349 O ALA A 82 0.711 3.678 -30.002 1.00 0.00 O ATOM 350 CB ALA A 82 3.374 1.748 -29.485 1.00 0.00 C ATOM 0 H ALA A 82 4.097 3.002 -27.490 1.00 0.00 H new ATOM 0 HA ALA A 82 3.213 3.802 -30.062 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.878 1.371 -30.380 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.454 1.729 -29.633 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.113 1.119 -28.634 1.00 0.00 H new ATOM 356 N GLY A 83 0.896 2.795 -27.941 1.00 0.00 N ATOM 357 CA GLY A 83 -0.536 2.809 -27.711 1.00 0.00 C ATOM 358 C GLY A 83 -1.117 4.209 -27.753 1.00 0.00 C ATOM 359 O GLY A 83 -2.086 4.466 -28.468 1.00 0.00 O ATOM 0 H GLY A 83 1.451 2.426 -27.168 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.028 2.192 -28.463 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.749 2.359 -26.741 1.00 0.00 H new ATOM 363 N VAL A 84 -0.525 5.117 -26.985 1.00 0.00 N ATOM 364 CA VAL A 84 -0.989 6.498 -26.937 1.00 0.00 C ATOM 365 C VAL A 84 -1.048 7.107 -28.333 1.00 0.00 C ATOM 366 O VAL A 84 -2.091 7.601 -28.762 1.00 0.00 O ATOM 367 CB VAL A 84 -0.078 7.366 -26.048 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.415 8.840 -26.216 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.199 6.946 -24.591 1.00 0.00 C ATOM 0 H VAL A 84 0.278 4.921 -26.387 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.991 6.480 -26.509 1.00 0.00 H new ATOM 0 HB VAL A 84 0.955 7.216 -26.361 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.239 9.437 -25.580 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.272 9.129 -27.257 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.453 9.011 -25.931 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.451 7.570 -23.977 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.231 7.065 -24.263 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.096 5.902 -24.488 1.00 0.00 H new ATOM 816 N ILE B 73 6.218 -9.880 -22.321 1.00 0.00 N ATOM 817 CA ILE B 73 4.999 -9.667 -23.091 1.00 0.00 C ATOM 818 C ILE B 73 3.964 -8.895 -22.280 1.00 0.00 C ATOM 819 O ILE B 73 3.459 -7.861 -22.718 1.00 0.00 O ATOM 820 CB ILE B 73 4.384 -11.001 -23.552 1.00 0.00 C ATOM 821 CG1 ILE B 73 5.387 -11.785 -24.399 1.00 0.00 C ATOM 822 CG2 ILE B 73 3.103 -10.751 -24.334 1.00 0.00 C ATOM 823 CD1 ILE B 73 4.901 -13.163 -24.790 1.00 0.00 C ATOM 0 HA ILE B 73 5.278 -9.083 -23.968 1.00 0.00 H new ATOM 0 HB ILE B 73 4.139 -11.595 -22.671 1.00 0.00 H new ATOM 0 HG12 ILE B 73 5.609 -11.217 -25.302 1.00 0.00 H new ATOM 0 HG13 ILE B 73 6.321 -11.882 -23.845 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.680 -11.703 -24.653 1.00 0.00 H new ATOM 0 HG22 ILE B 73 2.386 -10.229 -23.700 1.00 0.00 H new ATOM 0 HG23 ILE B 73 3.324 -10.141 -25.210 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.663 -13.661 -25.389 1.00 0.00 H new ATOM 0 HD12 ILE B 73 4.706 -13.748 -23.892 1.00 0.00 H new ATOM 0 HD13 ILE B 73 3.983 -13.074 -25.371 1.00 0.00 H new ATOM 835 N THR B 74 3.652 -9.404 -21.092 1.00 0.00 N ATOM 836 CA THR B 74 2.678 -8.763 -20.218 1.00 0.00 C ATOM 837 C THR B 74 2.971 -7.275 -20.065 1.00 0.00 C ATOM 838 O THR B 74 2.073 -6.440 -20.182 1.00 0.00 O ATOM 839 CB THR B 74 2.659 -9.417 -18.823 1.00 0.00 C ATOM 840 OG1 THR B 74 2.305 -10.800 -18.935 1.00 0.00 O ATOM 841 CG2 THR B 74 1.672 -8.708 -17.907 1.00 0.00 C ATOM 0 H THR B 74 4.060 -10.259 -20.713 1.00 0.00 H new ATOM 0 HA THR B 74 1.702 -8.892 -20.685 1.00 0.00 H new ATOM 0 HB THR B 74 3.657 -9.332 -18.392 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.297 -11.209 -18.044 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.676 -9.187 -16.928 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.961 -7.662 -17.801 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.671 -8.766 -18.336 1.00 0.00 H new ATOM 849 N LEU B 75 4.232 -6.949 -19.804 1.00 0.00 N ATOM 850 CA LEU B 75 4.644 -5.560 -19.637 1.00 0.00 C ATOM 851 C LEU B 75 4.268 -4.729 -20.859 1.00 0.00 C ATOM 852 O LEU B 75 3.674 -3.658 -20.735 1.00 0.00 O ATOM 853 CB LEU B 75 6.152 -5.480 -19.396 1.00 0.00 C ATOM 854 CG LEU B 75 6.652 -6.061 -18.072 1.00 0.00 C ATOM 855 CD1 LEU B 75 8.168 -5.968 -17.987 1.00 0.00 C ATOM 856 CD2 LEU B 75 6.005 -5.344 -16.897 1.00 0.00 C ATOM 0 H LEU B 75 4.987 -7.628 -19.703 1.00 0.00 H new ATOM 0 HA LEU B 75 4.122 -5.154 -18.771 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.658 -5.998 -20.211 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.453 -4.434 -19.447 1.00 0.00 H new ATOM 0 HG LEU B 75 6.370 -7.113 -18.029 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.506 -6.386 -17.039 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.614 -6.528 -18.809 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.473 -4.923 -18.052 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.372 -5.770 -15.964 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.255 -4.284 -16.935 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.923 -5.463 -16.949 1.00 0.00 H new ATOM 868 N ILE B 76 4.617 -5.231 -22.039 1.00 0.00 N ATOM 869 CA ILE B 76 4.313 -4.536 -23.284 1.00 0.00 C ATOM 870 C ILE B 76 2.820 -4.251 -23.405 1.00 0.00 C ATOM 871 O ILE B 76 2.416 -3.138 -23.741 1.00 0.00 O ATOM 872 CB ILE B 76 4.770 -5.351 -24.509 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.249 -5.720 -24.381 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.522 -4.567 -25.789 1.00 0.00 C ATOM 875 CD1 ILE B 76 7.168 -4.520 -24.327 1.00 0.00 C ATOM 0 H ILE B 76 5.110 -6.116 -22.159 1.00 0.00 H new ATOM 0 HA ILE B 76 4.859 -3.593 -23.260 1.00 0.00 H new ATOM 0 HB ILE B 76 4.188 -6.272 -24.552 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.390 -6.316 -23.479 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.533 -6.347 -25.226 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.850 -5.156 -26.646 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.458 -4.351 -25.883 1.00 0.00 H new ATOM 0 HG23 ILE B 76 5.080 -3.631 -25.757 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.201 -4.856 -24.236 1.00 0.00 H new ATOM 0 HD12 ILE B 76 7.056 -3.935 -25.240 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.910 -3.903 -23.466 1.00 0.00 H new ATOM 887 N ILE B 77 2.006 -5.264 -23.127 1.00 0.00 N ATOM 888 CA ILE B 77 0.557 -5.121 -23.201 1.00 0.00 C ATOM 889 C ILE B 77 0.053 -4.097 -22.191 1.00 0.00 C ATOM 890 O ILE B 77 -0.706 -3.190 -22.535 1.00 0.00 O ATOM 891 CB ILE B 77 -0.154 -6.464 -22.952 1.00 0.00 C ATOM 892 CG1 ILE B 77 0.208 -7.469 -24.047 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.661 -6.262 -22.889 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.396 -7.139 -25.394 1.00 0.00 C ATOM 0 H ILE B 77 2.325 -6.192 -22.849 1.00 0.00 H new ATOM 0 HA ILE B 77 0.325 -4.777 -24.209 1.00 0.00 H new ATOM 0 HB ILE B 77 0.180 -6.863 -21.994 1.00 0.00 H new ATOM 0 HG12 ILE B 77 1.293 -7.512 -24.145 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -0.124 -8.461 -23.742 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.149 -7.220 -22.713 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -1.903 -5.577 -22.077 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.012 -5.844 -23.833 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.097 -7.894 -26.121 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -1.483 -7.125 -25.312 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -0.044 -6.161 -25.721 1.00 0.00 H new ATOM 906 N PHE B 78 0.482 -4.245 -20.942 1.00 0.00 N ATOM 907 CA PHE B 78 0.074 -3.332 -19.880 1.00 0.00 C ATOM 908 C PHE B 78 0.384 -1.887 -20.257 1.00 0.00 C ATOM 909 O PHE B 78 -0.460 -1.002 -20.115 1.00 0.00 O ATOM 910 CB PHE B 78 0.780 -3.691 -18.571 1.00 0.00 C ATOM 911 CG PHE B 78 0.635 -2.644 -17.504 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.433 -2.679 -16.622 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.565 -1.625 -17.384 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.570 -1.716 -15.640 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.434 -0.659 -16.404 1.00 0.00 C ATOM 916 CZ PHE B 78 0.365 -0.705 -15.530 1.00 0.00 C ATOM 0 H PHE B 78 1.112 -4.988 -20.640 1.00 0.00 H new ATOM 0 HA PHE B 78 -1.003 -3.431 -19.744 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.381 -4.635 -18.199 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.840 -3.850 -18.771 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.167 -3.468 -16.703 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.403 -1.585 -18.064 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.407 -1.754 -14.959 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.166 0.131 -16.322 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.261 0.048 -14.763 1.00 0.00 H new ATOM 926 N GLY B 79 1.601 -1.654 -20.740 1.00 0.00 N ATOM 927 CA GLY B 79 2.001 -0.315 -21.130 1.00 0.00 C ATOM 928 C GLY B 79 1.072 0.290 -22.163 1.00 0.00 C ATOM 929 O GLY B 79 0.545 1.386 -21.970 1.00 0.00 O ATOM 0 H GLY B 79 2.317 -2.369 -20.868 1.00 0.00 H new ATOM 0 HA2 GLY B 79 2.025 0.325 -20.248 1.00 0.00 H new ATOM 0 HA3 GLY B 79 3.015 -0.344 -21.530 1.00 0.00 H new ATOM 933 N VAL B 80 0.871 -0.425 -23.266 1.00 0.00 N ATOM 934 CA VAL B 80 -0.001 0.048 -24.335 1.00 0.00 C ATOM 935 C VAL B 80 -1.436 0.207 -23.845 1.00 0.00 C ATOM 936 O VAL B 80 -2.151 1.113 -24.271 1.00 0.00 O ATOM 937 CB VAL B 80 0.015 -0.912 -25.539 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.848 -0.369 -26.667 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.441 -1.148 -26.013 1.00 0.00 C ATOM 0 H VAL B 80 1.300 -1.333 -23.442 1.00 0.00 H new ATOM 0 HA VAL B 80 0.382 1.019 -24.649 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.402 -1.869 -25.224 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.824 -1.061 -27.509 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.875 -0.257 -26.318 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.465 0.601 -26.984 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.433 -1.829 -26.864 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.887 -0.199 -26.311 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.026 -1.586 -25.204 1.00 0.00 H new ATOM 949 N MET B 81 -1.849 -0.680 -22.946 1.00 0.00 N ATOM 950 CA MET B 81 -3.199 -0.637 -22.395 1.00 0.00 C ATOM 951 C MET B 81 -3.405 0.621 -21.558 1.00 0.00 C ATOM 952 O MET B 81 -4.428 1.296 -21.676 1.00 0.00 O ATOM 953 CB MET B 81 -3.465 -1.880 -21.543 1.00 0.00 C ATOM 954 CG MET B 81 -3.756 -3.127 -22.362 1.00 0.00 C ATOM 955 SD MET B 81 -5.439 -3.159 -23.007 1.00 0.00 S ATOM 956 CE MET B 81 -5.143 -3.649 -24.704 1.00 0.00 C ATOM 0 H MET B 81 -1.269 -1.437 -22.584 1.00 0.00 H new ATOM 0 HA MET B 81 -3.903 -0.618 -23.227 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.600 -2.067 -20.907 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.310 -1.684 -20.882 1.00 0.00 H new ATOM 0 HG2 MET B 81 -3.052 -3.184 -23.192 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.591 -4.009 -21.744 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.093 -3.713 -25.235 1.00 0.00 H new ATOM 0 HE2 MET B 81 -4.504 -2.911 -25.190 1.00 0.00 H new ATOM 0 HE3 MET B 81 -4.651 -4.622 -24.721 1.00 0.00 H new ATOM 966 N ALA B 82 -2.428 0.931 -20.713 1.00 0.00 N ATOM 967 CA ALA B 82 -2.502 2.109 -19.858 1.00 0.00 C ATOM 968 C ALA B 82 -2.467 3.390 -20.684 1.00 0.00 C ATOM 969 O ALA B 82 -3.268 4.300 -20.471 1.00 0.00 O ATOM 970 CB ALA B 82 -1.365 2.100 -18.847 1.00 0.00 C ATOM 0 H ALA B 82 -1.575 0.382 -20.602 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.451 2.079 -19.322 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.433 2.986 -18.215 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.436 1.206 -18.227 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.410 2.102 -19.373 1.00 0.00 H new ATOM 976 N GLY B 83 -1.532 3.455 -21.628 1.00 0.00 N ATOM 977 CA GLY B 83 -1.411 4.630 -22.471 1.00 0.00 C ATOM 978 C GLY B 83 -2.656 4.882 -23.298 1.00 0.00 C ATOM 979 O GLY B 83 -3.208 5.982 -23.283 1.00 0.00 O ATOM 0 H GLY B 83 -0.857 2.716 -21.823 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.210 5.501 -21.848 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.555 4.510 -23.136 1.00 0.00 H new ATOM 983 N VAL B 84 -3.099 3.860 -24.023 1.00 0.00 N ATOM 984 CA VAL B 84 -4.287 3.976 -24.861 1.00 0.00 C ATOM 985 C VAL B 84 -5.476 4.497 -24.060 1.00 0.00 C ATOM 986 O VAL B 84 -6.051 5.535 -24.388 1.00 0.00 O ATOM 987 CB VAL B 84 -4.662 2.623 -25.494 1.00 0.00 C ATOM 988 CG1 VAL B 84 -6.033 2.700 -26.148 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.605 2.195 -26.500 1.00 0.00 C ATOM 0 H VAL B 84 -2.654 2.943 -24.047 1.00 0.00 H new ATOM 0 HA VAL B 84 -4.047 4.685 -25.653 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.705 1.872 -24.705 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.280 1.735 -26.590 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.780 2.958 -25.397 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -6.022 3.463 -26.926 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.886 1.237 -26.938 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.527 2.945 -27.287 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.643 2.096 -25.997 1.00 0.00 H new ATOM 999 N ILE B 85 -5.838 3.769 -23.009 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.957 4.159 -22.160 1.00 0.00 C ATOM 1001 C ILE B 85 -6.771 5.573 -21.619 1.00 0.00 C ATOM 1002 O ILE B 85 -7.716 6.358 -21.567 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.131 3.188 -20.977 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.433 1.778 -21.487 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.238 3.672 -20.053 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.757 1.668 -22.211 1.00 0.00 C ATOM 0 H ILE B 85 -5.373 2.907 -22.725 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.851 4.126 -22.782 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.200 3.157 -20.411 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.634 1.464 -22.158 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.431 1.087 -20.644 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.349 2.975 -19.222 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.984 4.659 -19.667 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.175 3.729 -20.607 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.905 0.641 -22.545 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.565 1.950 -21.536 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.756 2.333 -23.074 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.543 5.891 -21.220 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.254 7.211 -20.690 1.00 0.00 C ATOM 1020 C GLY B 86 -5.572 8.315 -21.679 1.00 0.00 C ATOM 1021 O GLY B 86 -6.276 9.270 -21.350 1.00 0.00 O ATOM 0 H GLY B 86 -4.744 5.258 -21.254 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.830 7.367 -19.778 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.201 7.266 -20.415 1.00 0.00 H new ATOM 1025 N THR B 87 -5.051 8.186 -22.895 1.00 0.00 N ATOM 1026 CA THR B 87 -5.281 9.182 -23.934 1.00 0.00 C ATOM 1027 C THR B 87 -6.771 9.374 -24.192 1.00 0.00 C ATOM 1028 O THR B 87 -7.251 10.503 -24.302 1.00 0.00 O ATOM 1029 CB THR B 87 -4.591 8.787 -25.253 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.319 8.187 -24.980 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.402 10.001 -26.150 1.00 0.00 C ATOM 0 H THR B 87 -4.467 7.402 -23.185 1.00 0.00 H new ATOM 0 HA THR B 87 -4.854 10.118 -23.574 1.00 0.00 H new ATOM 0 HB THR B 87 -5.228 8.069 -25.770 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.812 8.759 -24.367 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.913 9.697 -27.075 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.374 10.438 -26.380 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.784 10.739 -25.638 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.498 8.266 -24.286 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.935 8.314 -24.528 1.00 0.00 C ATOM 1041 C ILE B 88 -9.638 9.188 -23.495 1.00 0.00 C ATOM 1042 O ILE B 88 -10.409 10.083 -23.844 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.558 6.906 -24.502 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.908 6.018 -25.566 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -11.061 6.988 -24.719 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -9.043 4.538 -25.281 1.00 0.00 C ATOM 0 H ILE B 88 -7.116 7.324 -24.198 1.00 0.00 H new ATOM 0 HA ILE B 88 -9.073 8.745 -25.520 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.376 6.462 -23.524 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.358 6.236 -26.534 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.850 6.270 -25.642 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.487 5.985 -24.698 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.510 7.590 -23.929 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.264 7.448 -25.686 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.560 3.969 -26.075 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.568 4.306 -24.328 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -10.099 4.271 -25.234 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.366 8.924 -22.222 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.971 9.688 -21.136 1.00 0.00 C ATOM 1060 C LEU B 89 -9.680 11.177 -21.290 1.00 0.00 C ATOM 1061 O LEU B 89 -10.594 12.003 -21.287 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.450 9.192 -19.786 1.00 0.00 C ATOM 1063 CG LEU B 89 -10.026 7.864 -19.291 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -9.087 7.217 -18.284 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.403 8.075 -18.679 1.00 0.00 C ATOM 0 H LEU B 89 -8.731 8.187 -21.916 1.00 0.00 H new ATOM 0 HA LEU B 89 -11.050 9.541 -21.179 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.366 9.093 -19.851 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.656 9.956 -19.037 1.00 0.00 H new ATOM 0 HG LEU B 89 -10.128 7.194 -20.145 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.513 6.274 -17.943 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -8.122 7.030 -18.755 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.952 7.883 -17.432 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.797 7.120 -18.332 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.325 8.763 -17.837 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -12.074 8.494 -19.429 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.402 11.514 -21.426 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.990 12.905 -21.584 1.00 0.00 C ATOM 1079 C LEU B 90 -8.668 13.539 -22.794 1.00 0.00 C ATOM 1080 O LEU B 90 -9.270 14.608 -22.691 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.470 12.993 -21.731 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.656 12.722 -20.466 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -4.192 12.501 -20.810 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.807 13.871 -19.479 1.00 0.00 C ATOM 0 H LEU B 90 -7.633 10.844 -21.430 1.00 0.00 H new ATOM 0 HA LEU B 90 -8.295 13.453 -20.692 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -6.158 12.285 -22.498 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -6.217 13.989 -22.095 1.00 0.00 H new ATOM 0 HG LEU B 90 -6.038 11.815 -19.998 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.629 12.310 -19.897 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.101 11.645 -21.479 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.796 13.390 -21.301 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -5.221 13.661 -18.584 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -5.452 14.794 -19.938 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.857 13.982 -19.207 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.567 12.873 -23.939 1.00 0.00 N ATOM 1097 CA ILE B 91 -9.173 13.370 -25.168 1.00 0.00 C ATOM 1098 C ILE B 91 -10.664 13.632 -24.979 1.00 0.00 C ATOM 1099 O ILE B 91 -11.171 14.690 -25.352 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.981 12.379 -26.332 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.512 12.335 -26.755 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.865 12.766 -27.508 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -7.012 13.637 -27.341 1.00 0.00 C ATOM 0 H ILE B 91 -8.071 11.988 -24.041 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.670 14.306 -25.412 1.00 0.00 H new ATOM 0 HB ILE B 91 -9.273 11.384 -25.995 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -6.901 12.077 -25.890 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -7.377 11.540 -27.489 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.718 12.057 -28.322 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.910 12.751 -27.198 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -9.601 13.768 -27.847 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -5.963 13.532 -27.618 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.598 13.887 -28.225 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -7.114 14.432 -26.602 1.00 0.00 H new ATOM 1115 N SER B 92 -11.360 12.662 -24.395 1.00 0.00 N ATOM 1116 CA SER B 92 -12.793 12.786 -24.158 1.00 0.00 C ATOM 1117 C SER B 92 -13.104 14.046 -23.356 1.00 0.00 C ATOM 1118 O SER B 92 -14.154 14.664 -23.531 1.00 0.00 O ATOM 1119 CB SER B 92 -13.318 11.554 -23.417 1.00 0.00 C ATOM 1120 OG SER B 92 -14.735 11.523 -23.420 1.00 0.00 O ATOM 0 H SER B 92 -10.955 11.782 -24.077 1.00 0.00 H new ATOM 0 HA SER B 92 -13.291 12.859 -25.125 1.00 0.00 H new ATOM 0 HB2 SER B 92 -12.930 10.650 -23.887 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.953 11.561 -22.390 1.00 0.00 H new ATOM 0 HG SER B 92 -15.046 10.726 -22.942 1.00 0.00 H new ATOM 1126 N TYR B 93 -12.183 14.421 -22.476 1.00 0.00 N ATOM 1127 CA TYR B 93 -12.357 15.606 -21.644 1.00 0.00 C ATOM 1128 C TYR B 93 -12.214 16.879 -22.472 1.00 0.00 C ATOM 1129 O TYR B 93 -12.908 17.867 -22.238 1.00 0.00 O ATOM 1130 CB TYR B 93 -11.339 15.609 -20.503 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.883 15.060 -19.204 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -13.004 15.621 -18.605 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -11.276 13.980 -18.574 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -13.505 15.123 -17.418 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -11.770 13.475 -17.388 1.00 0.00 C ATOM 1136 CZ TYR B 93 -12.885 14.050 -16.813 1.00 0.00 C ATOM 1137 OH TYR B 93 -13.380 13.550 -15.630 1.00 0.00 O ATOM 0 H TYR B 93 -11.308 13.921 -22.320 1.00 0.00 H new ATOM 0 HA TYR B 93 -13.362 15.579 -21.224 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -10.471 15.021 -20.801 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -10.992 16.629 -20.339 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -13.492 16.461 -19.076 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -10.403 13.528 -19.020 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -14.377 15.571 -16.966 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -11.286 12.634 -16.913 1.00 0.00 H new ATOM 0 HH TYR B 93 -12.829 12.794 -15.338 1.00 0.00 H new ATOM 1147 N GLY B 94 -11.306 16.846 -23.444 1.00 0.00 N ATOM 1148 CA GLY B 94 -11.087 18.002 -24.294 1.00 0.00 C ATOM 1149 C GLY B 94 -12.292 18.326 -25.154 1.00 0.00 C ATOM 1150 O GLY B 94 -12.602 19.495 -25.385 1.00 0.00 O ATOM 0 H GLY B 94 -10.719 16.040 -23.657 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.845 18.865 -23.673 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -10.225 17.819 -24.936 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.972 17.289 -25.632 1.00 0.00 N ATOM 1155 CA ILE B 95 -14.149 17.469 -26.472 1.00 0.00 C ATOM 1156 C ILE B 95 -15.283 18.130 -25.695 1.00 0.00 C ATOM 1157 O ILE B 95 -16.090 18.867 -26.262 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.645 16.127 -27.042 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.543 15.459 -27.866 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.892 16.340 -27.888 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -13.090 16.284 -29.050 1.00 0.00 C ATOM 0 H ILE B 95 -12.728 16.315 -25.452 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.852 18.116 -27.297 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.901 15.469 -26.212 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -12.686 15.263 -27.221 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -13.902 14.493 -28.222 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -16.231 15.383 -28.284 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.679 16.777 -27.273 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.661 17.013 -28.714 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.308 15.749 -29.588 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.935 16.458 -29.716 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -12.701 17.240 -28.700 1.00 0.00 H new ATOM 1173 N ARG B 96 -15.337 17.862 -24.395 1.00 0.00 N ATOM 1174 CA ARG B 96 -16.372 18.430 -23.540 1.00 0.00 C ATOM 1175 C ARG B 96 -16.094 19.904 -23.258 1.00 0.00 C ATOM 1176 O ARG B 96 -17.015 20.682 -23.005 1.00 0.00 O ATOM 1177 CB ARG B 96 -16.458 17.656 -22.223 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.564 16.613 -22.202 1.00 0.00 C ATOM 1179 CD ARG B 96 -18.903 17.230 -21.831 1.00 0.00 C ATOM 1180 NE ARG B 96 -19.618 17.732 -23.001 1.00 0.00 N ATOM 1181 CZ ARG B 96 -20.646 18.569 -22.931 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -21.078 18.997 -21.753 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -21.245 18.981 -24.041 1.00 0.00 N ATOM 0 H ARG B 96 -14.676 17.255 -23.910 1.00 0.00 H new ATOM 0 HA ARG B 96 -17.325 18.350 -24.063 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -15.503 17.165 -22.037 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -16.619 18.360 -21.407 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -17.639 16.140 -23.181 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -17.313 15.829 -21.488 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -19.517 16.486 -21.323 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -18.743 18.046 -21.126 1.00 0.00 H new ATOM 0 HE ARG B 96 -19.311 17.422 -23.923 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -20.620 18.683 -20.897 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -21.868 19.640 -21.702 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -20.916 18.655 -24.950 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -22.035 19.624 -23.986 1.00 0.00 H new