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 -47:sc= -0.543 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 12.317 -1.210 -18.362 1.00 0.00 N ATOM 197 CA ILE A 73 11.867 0.176 -18.381 1.00 0.00 C ATOM 198 C ILE A 73 11.520 0.622 -19.797 1.00 0.00 C ATOM 199 O ILE A 73 10.392 1.029 -20.074 1.00 0.00 O ATOM 200 CB ILE A 73 12.934 1.124 -17.803 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.276 0.726 -16.365 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.450 2.565 -17.859 1.00 0.00 C ATOM 203 CD1 ILE A 73 12.115 0.871 -15.406 1.00 0.00 C ATOM 0 HA ILE A 73 10.974 0.225 -17.758 1.00 0.00 H new ATOM 0 HB ILE A 73 13.837 1.042 -18.408 1.00 0.00 H new ATOM 0 HG12 ILE A 73 13.618 -0.309 -16.355 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.106 1.340 -16.014 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.216 3.222 -17.447 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.253 2.843 -18.894 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.534 2.664 -17.276 1.00 0.00 H new ATOM 0 HD11 ILE A 73 12.429 0.572 -14.406 1.00 0.00 H new ATOM 0 HD12 ILE A 73 11.786 1.910 -15.387 1.00 0.00 H new ATOM 0 HD13 ILE A 73 11.292 0.236 -15.733 1.00 0.00 H new ATOM 215 N THR A 74 12.499 0.542 -20.693 1.00 0.00 N ATOM 216 CA THR A 74 12.299 0.936 -22.082 1.00 0.00 C ATOM 217 C THR A 74 11.038 0.301 -22.657 1.00 0.00 C ATOM 218 O THR A 74 10.262 0.958 -23.352 1.00 0.00 O ATOM 219 CB THR A 74 13.504 0.543 -22.957 1.00 0.00 C ATOM 220 OG1 THR A 74 14.698 1.149 -22.449 1.00 0.00 O ATOM 221 CG2 THR A 74 13.287 0.971 -24.401 1.00 0.00 C ATOM 0 H THR A 74 13.439 0.208 -20.481 1.00 0.00 H new ATOM 0 HA THR A 74 12.193 2.021 -22.091 1.00 0.00 H new ATOM 0 HB THR A 74 13.607 -0.542 -22.927 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.459 0.892 -23.010 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.151 0.683 -25.000 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.394 0.485 -24.794 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.160 2.053 -24.445 1.00 0.00 H new ATOM 229 N LEU A 75 10.840 -0.979 -22.365 1.00 0.00 N ATOM 230 CA LEU A 75 9.672 -1.703 -22.853 1.00 0.00 C ATOM 231 C LEU A 75 8.383 -1.009 -22.426 1.00 0.00 C ATOM 232 O LEU A 75 7.501 -0.755 -23.248 1.00 0.00 O ATOM 233 CB LEU A 75 9.685 -3.142 -22.333 1.00 0.00 C ATOM 234 CG LEU A 75 10.696 -4.083 -22.989 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.572 -5.485 -22.413 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.503 -4.106 -24.498 1.00 0.00 C ATOM 0 H LEU A 75 11.473 -1.537 -21.793 1.00 0.00 H new ATOM 0 HA LEU A 75 9.713 -1.716 -23.942 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.883 -3.118 -21.261 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.688 -3.564 -22.464 1.00 0.00 H new ATOM 0 HG LEU A 75 11.699 -3.712 -22.777 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.299 -6.141 -22.892 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.761 -5.456 -21.340 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.567 -5.865 -22.594 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.231 -4.781 -24.948 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.496 -4.452 -24.731 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.644 -3.102 -24.898 1.00 0.00 H new ATOM 248 N ILE A 76 8.281 -0.702 -21.137 1.00 0.00 N ATOM 249 CA ILE A 76 7.101 -0.033 -20.603 1.00 0.00 C ATOM 250 C ILE A 76 6.831 1.276 -21.337 1.00 0.00 C ATOM 251 O ILE A 76 5.699 1.556 -21.731 1.00 0.00 O ATOM 252 CB ILE A 76 7.251 0.256 -19.098 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.450 -1.048 -18.323 1.00 0.00 C ATOM 254 CG2 ILE A 76 6.035 1.007 -18.579 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.326 -2.042 -18.515 1.00 0.00 C ATOM 0 H ILE A 76 9.001 -0.906 -20.444 1.00 0.00 H new ATOM 0 HA ILE A 76 6.260 -0.710 -20.753 1.00 0.00 H new ATOM 0 HB ILE A 76 8.131 0.882 -18.949 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.388 -1.507 -18.635 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.545 -0.820 -17.261 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.156 1.204 -17.514 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.935 1.952 -19.114 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.140 0.405 -18.737 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.534 -2.942 -17.937 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.389 -1.601 -18.176 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.245 -2.300 -19.571 1.00 0.00 H new ATOM 267 N ILE A 77 7.879 2.073 -21.517 1.00 0.00 N ATOM 268 CA ILE A 77 7.755 3.352 -22.206 1.00 0.00 C ATOM 269 C ILE A 77 7.303 3.157 -23.649 1.00 0.00 C ATOM 270 O ILE A 77 6.358 3.800 -24.108 1.00 0.00 O ATOM 271 CB ILE A 77 9.086 4.127 -22.197 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.482 4.488 -20.764 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.975 5.379 -23.054 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.595 5.542 -20.140 1.00 0.00 C ATOM 0 H ILE A 77 8.822 1.856 -21.196 1.00 0.00 H new ATOM 0 HA ILE A 77 7.004 3.930 -21.667 1.00 0.00 H new ATOM 0 HB ILE A 77 9.864 3.490 -22.618 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.451 3.588 -20.149 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.513 4.842 -20.759 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.923 5.916 -23.038 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.735 5.098 -24.079 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.187 6.021 -22.660 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.934 5.748 -19.125 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.644 6.456 -20.732 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.566 5.182 -20.113 1.00 0.00 H new ATOM 286 N PHE A 78 7.982 2.263 -24.361 1.00 0.00 N ATOM 287 CA PHE A 78 7.650 1.982 -25.753 1.00 0.00 C ATOM 288 C PHE A 78 6.181 1.594 -25.894 1.00 0.00 C ATOM 289 O PHE A 78 5.477 2.095 -26.769 1.00 0.00 O ATOM 290 CB PHE A 78 8.540 0.862 -26.296 1.00 0.00 C ATOM 291 CG PHE A 78 8.113 0.357 -27.644 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.564 0.969 -28.803 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.259 -0.729 -27.753 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.173 0.506 -30.045 1.00 0.00 C ATOM 295 CE2 PHE A 78 6.865 -1.196 -28.993 1.00 0.00 C ATOM 296 CZ PHE A 78 7.322 -0.577 -30.140 1.00 0.00 C ATOM 0 H PHE A 78 8.765 1.721 -23.997 1.00 0.00 H new ATOM 0 HA PHE A 78 7.825 2.888 -26.332 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.566 1.224 -26.361 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.538 0.032 -25.589 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.229 1.818 -28.735 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.897 -1.216 -26.859 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.533 0.991 -30.940 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.200 -2.044 -29.065 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.014 -0.940 -31.110 1.00 0.00 H new ATOM 306 N GLY A 79 5.727 0.696 -25.025 1.00 0.00 N ATOM 307 CA GLY A 79 4.345 0.254 -25.069 1.00 0.00 C ATOM 308 C GLY A 79 3.365 1.404 -24.951 1.00 0.00 C ATOM 309 O GLY A 79 2.491 1.574 -25.801 1.00 0.00 O ATOM 0 H GLY A 79 6.291 0.267 -24.292 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.166 -0.277 -26.004 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.168 -0.455 -24.260 1.00 0.00 H new ATOM 313 N VAL A 80 3.508 2.196 -23.893 1.00 0.00 N ATOM 314 CA VAL A 80 2.627 3.335 -23.666 1.00 0.00 C ATOM 315 C VAL A 80 2.742 4.352 -24.796 1.00 0.00 C ATOM 316 O VAL A 80 1.760 4.991 -25.172 1.00 0.00 O ATOM 317 CB VAL A 80 2.944 4.031 -22.329 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.975 5.178 -22.082 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.902 3.031 -21.184 1.00 0.00 C ATOM 0 H VAL A 80 4.226 2.069 -23.180 1.00 0.00 H new ATOM 0 HA VAL A 80 1.609 2.947 -23.633 1.00 0.00 H new ATOM 0 HB VAL A 80 3.952 4.443 -22.384 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.214 5.658 -21.133 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.060 5.906 -22.889 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.956 4.792 -22.047 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.128 3.541 -20.247 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.908 2.587 -21.125 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.639 2.247 -21.358 1.00 0.00 H new ATOM 329 N MET A 81 3.949 4.497 -25.334 1.00 0.00 N ATOM 330 CA MET A 81 4.192 5.435 -26.423 1.00 0.00 C ATOM 331 C MET A 81 3.451 5.007 -27.686 1.00 0.00 C ATOM 332 O MET A 81 2.832 5.827 -28.362 1.00 0.00 O ATOM 333 CB MET A 81 5.691 5.541 -26.709 1.00 0.00 C ATOM 334 CG MET A 81 6.442 6.397 -25.702 1.00 0.00 C ATOM 335 SD MET A 81 6.391 8.153 -26.107 1.00 0.00 S ATOM 336 CE MET A 81 6.913 8.874 -24.552 1.00 0.00 C ATOM 0 H MET A 81 4.773 3.977 -25.033 1.00 0.00 H new ATOM 0 HA MET A 81 3.818 6.412 -26.117 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.123 4.540 -26.717 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.834 5.958 -27.706 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.015 6.244 -24.711 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.480 6.069 -25.655 1.00 0.00 H new ATOM 0 HE1 MET A 81 6.932 9.960 -24.643 1.00 0.00 H new ATOM 0 HE2 MET A 81 6.215 8.588 -23.766 1.00 0.00 H new ATOM 0 HE3 MET A 81 7.910 8.514 -24.300 1.00 0.00 H new ATOM 346 N ALA A 82 3.519 3.716 -27.997 1.00 0.00 N ATOM 347 CA ALA A 82 2.853 3.179 -29.178 1.00 0.00 C ATOM 348 C ALA A 82 1.337 3.270 -29.042 1.00 0.00 C ATOM 349 O ALA A 82 0.647 3.717 -29.957 1.00 0.00 O ATOM 350 CB ALA A 82 3.279 1.738 -29.414 1.00 0.00 C ATOM 0 H ALA A 82 4.028 3.023 -27.448 1.00 0.00 H new ATOM 0 HA ALA A 82 3.151 3.779 -30.038 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.774 1.350 -30.299 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.358 1.698 -29.565 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.011 1.133 -28.548 1.00 0.00 H new ATOM 356 N GLY A 83 0.824 2.841 -27.892 1.00 0.00 N ATOM 357 CA GLY A 83 -0.608 2.882 -27.658 1.00 0.00 C ATOM 358 C GLY A 83 -1.164 4.291 -27.705 1.00 0.00 C ATOM 359 O GLY A 83 -2.121 4.565 -28.429 1.00 0.00 O ATOM 0 H GLY A 83 1.374 2.466 -27.119 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.113 2.271 -28.406 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.827 2.441 -26.686 1.00 0.00 H new ATOM 363 N VAL A 84 -0.563 5.188 -26.929 1.00 0.00 N ATOM 364 CA VAL A 84 -1.004 6.577 -26.885 1.00 0.00 C ATOM 365 C VAL A 84 -1.054 7.183 -28.283 1.00 0.00 C ATOM 366 O VAL A 84 -2.100 7.655 -28.729 1.00 0.00 O ATOM 367 CB VAL A 84 -0.077 7.432 -26.000 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.403 8.910 -26.156 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.189 7.005 -24.544 1.00 0.00 C ATOM 0 H VAL A 84 0.230 4.978 -26.323 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.006 6.577 -26.456 1.00 0.00 H new ATOM 0 HB VAL A 84 0.952 7.275 -26.324 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.262 9.498 -25.523 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.268 9.204 -27.197 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.437 9.088 -25.860 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.472 7.619 -23.933 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.217 7.132 -24.206 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.098 5.958 -24.449 1.00 0.00 H new ATOM 816 N ILE B 73 5.947 -9.904 -22.434 1.00 0.00 N ATOM 817 CA ILE B 73 4.704 -9.611 -23.136 1.00 0.00 C ATOM 818 C ILE B 73 3.745 -8.824 -22.250 1.00 0.00 C ATOM 819 O ILE B 73 3.234 -7.776 -22.646 1.00 0.00 O ATOM 820 CB ILE B 73 4.007 -10.901 -23.609 1.00 0.00 C ATOM 821 CG1 ILE B 73 4.949 -11.721 -24.493 1.00 0.00 C ATOM 822 CG2 ILE B 73 2.725 -10.567 -24.357 1.00 0.00 C ATOM 823 CD1 ILE B 73 5.399 -10.989 -25.738 1.00 0.00 C ATOM 0 HA ILE B 73 4.967 -9.010 -24.006 1.00 0.00 H new ATOM 0 HB ILE B 73 3.749 -11.498 -22.735 1.00 0.00 H new ATOM 0 HG12 ILE B 73 5.826 -12.004 -23.911 1.00 0.00 H new ATOM 0 HG13 ILE B 73 4.448 -12.644 -24.785 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.244 -11.489 -24.685 1.00 0.00 H new ATOM 0 HG22 ILE B 73 2.051 -10.021 -23.697 1.00 0.00 H new ATOM 0 HG23 ILE B 73 2.960 -9.952 -25.226 1.00 0.00 H new ATOM 0 HD11 ILE B 73 6.064 -11.630 -26.317 1.00 0.00 H new ATOM 0 HD12 ILE B 73 4.529 -10.729 -26.342 1.00 0.00 H new ATOM 0 HD13 ILE B 73 5.928 -10.079 -25.454 1.00 0.00 H new ATOM 835 N THR B 74 3.505 -9.335 -21.047 1.00 0.00 N ATOM 836 CA THR B 74 2.608 -8.680 -20.103 1.00 0.00 C ATOM 837 C THR B 74 2.947 -7.201 -19.958 1.00 0.00 C ATOM 838 O THR B 74 2.068 -6.341 -20.041 1.00 0.00 O ATOM 839 CB THR B 74 2.667 -9.347 -18.716 1.00 0.00 C ATOM 840 OG1 THR B 74 2.350 -10.739 -18.827 1.00 0.00 O ATOM 841 CG2 THR B 74 1.701 -8.676 -17.751 1.00 0.00 C ATOM 0 H THR B 74 3.920 -10.201 -20.703 1.00 0.00 H new ATOM 0 HA THR B 74 1.599 -8.781 -20.504 1.00 0.00 H new ATOM 0 HB THR B 74 3.679 -9.236 -18.327 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.392 -11.156 -17.941 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.761 -9.164 -16.778 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.964 -7.624 -17.645 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.685 -8.759 -18.137 1.00 0.00 H new ATOM 849 N LEU B 75 4.225 -6.910 -19.743 1.00 0.00 N ATOM 850 CA LEU B 75 4.681 -5.533 -19.588 1.00 0.00 C ATOM 851 C LEU B 75 4.285 -4.689 -20.796 1.00 0.00 C ATOM 852 O LEU B 75 3.716 -3.607 -20.649 1.00 0.00 O ATOM 853 CB LEU B 75 6.198 -5.495 -19.400 1.00 0.00 C ATOM 854 CG LEU B 75 6.730 -6.115 -18.108 1.00 0.00 C ATOM 855 CD1 LEU B 75 8.251 -6.130 -18.109 1.00 0.00 C ATOM 856 CD2 LEU B 75 6.203 -5.359 -16.897 1.00 0.00 C ATOM 0 H LEU B 75 4.964 -7.609 -19.672 1.00 0.00 H new ATOM 0 HA LEU B 75 4.201 -5.115 -18.703 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.661 -6.008 -20.243 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.523 -4.455 -19.441 1.00 0.00 H new ATOM 0 HG LEU B 75 6.377 -7.145 -18.050 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.611 -6.575 -17.181 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.609 -6.716 -18.955 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.625 -5.109 -18.191 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.592 -5.814 -15.986 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.525 -4.319 -16.949 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.114 -5.401 -16.887 1.00 0.00 H new ATOM 868 N ILE B 76 4.588 -5.193 -21.987 1.00 0.00 N ATOM 869 CA ILE B 76 4.261 -4.486 -23.220 1.00 0.00 C ATOM 870 C ILE B 76 2.769 -4.179 -23.298 1.00 0.00 C ATOM 871 O ILE B 76 2.372 -3.066 -23.644 1.00 0.00 O ATOM 872 CB ILE B 76 4.672 -5.300 -24.461 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.147 -5.697 -24.372 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.407 -4.502 -25.729 1.00 0.00 C ATOM 875 CD1 ILE B 76 7.086 -4.514 -24.273 1.00 0.00 C ATOM 0 H ILE B 76 5.059 -6.087 -22.125 1.00 0.00 H new ATOM 0 HA ILE B 76 4.822 -3.551 -23.207 1.00 0.00 H new ATOM 0 HB ILE B 76 4.073 -6.210 -24.496 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.291 -6.338 -23.502 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.410 -6.287 -25.250 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.703 -5.090 -26.598 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.345 -4.266 -25.795 1.00 0.00 H new ATOM 0 HG23 ILE B 76 4.983 -3.577 -25.704 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.115 -4.870 -24.213 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.971 -3.883 -25.155 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.850 -3.936 -23.380 1.00 0.00 H new ATOM 887 N ILE B 77 1.948 -5.172 -22.974 1.00 0.00 N ATOM 888 CA ILE B 77 0.501 -5.007 -23.005 1.00 0.00 C ATOM 889 C ILE B 77 0.044 -3.967 -21.987 1.00 0.00 C ATOM 890 O ILE B 77 -0.709 -3.050 -22.314 1.00 0.00 O ATOM 891 CB ILE B 77 -0.224 -6.336 -22.724 1.00 0.00 C ATOM 892 CG1 ILE B 77 0.079 -7.351 -23.829 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.723 -6.108 -22.605 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.559 -7.008 -25.156 1.00 0.00 C ATOM 0 H ILE B 77 2.261 -6.099 -22.687 1.00 0.00 H new ATOM 0 HA ILE B 77 0.244 -4.668 -24.009 1.00 0.00 H new ATOM 0 HB ILE B 77 0.139 -6.737 -21.778 1.00 0.00 H new ATOM 0 HG12 ILE B 77 1.159 -7.420 -23.961 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -0.267 -8.335 -23.512 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.221 -7.057 -22.406 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -1.922 -5.416 -21.787 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.102 -5.687 -23.536 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.302 -7.770 -25.891 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -1.642 -6.967 -25.039 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -0.194 -6.039 -25.495 1.00 0.00 H new ATOM 906 N PHE B 78 0.507 -4.116 -20.750 1.00 0.00 N ATOM 907 CA PHE B 78 0.147 -3.190 -19.682 1.00 0.00 C ATOM 908 C PHE B 78 0.466 -1.751 -20.080 1.00 0.00 C ATOM 909 O PHE B 78 -0.358 -0.853 -19.917 1.00 0.00 O ATOM 910 CB PHE B 78 0.887 -3.551 -18.393 1.00 0.00 C ATOM 911 CG PHE B 78 0.774 -2.503 -17.323 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.276 -2.529 -16.419 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.716 -1.493 -17.221 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.384 -1.567 -15.432 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.614 -0.529 -16.236 1.00 0.00 C ATOM 916 CZ PHE B 78 0.562 -0.565 -15.342 1.00 0.00 C ATOM 0 H PHE B 78 1.132 -4.869 -20.462 1.00 0.00 H new ATOM 0 HA PHE B 78 -0.926 -3.272 -19.511 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.495 -4.493 -18.010 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.940 -3.713 -18.622 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.019 -3.310 -16.486 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.539 -1.458 -17.919 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.206 -1.599 -14.733 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.357 0.252 -16.165 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.479 0.189 -14.574 1.00 0.00 H new ATOM 926 N GLY B 79 1.671 -1.542 -20.602 1.00 0.00 N ATOM 927 CA GLY B 79 2.080 -0.211 -21.014 1.00 0.00 C ATOM 928 C GLY B 79 1.132 0.398 -22.028 1.00 0.00 C ATOM 929 O GLY B 79 0.612 1.495 -21.822 1.00 0.00 O ATOM 0 H GLY B 79 2.371 -2.270 -20.747 1.00 0.00 H new ATOM 0 HA2 GLY B 79 2.136 0.436 -20.139 1.00 0.00 H new ATOM 0 HA3 GLY B 79 3.082 -0.258 -21.440 1.00 0.00 H new ATOM 933 N VAL B 80 0.906 -0.313 -23.128 1.00 0.00 N ATOM 934 CA VAL B 80 0.015 0.164 -24.178 1.00 0.00 C ATOM 935 C VAL B 80 -1.406 0.340 -23.655 1.00 0.00 C ATOM 936 O VAL B 80 -2.128 1.241 -24.081 1.00 0.00 O ATOM 937 CB VAL B 80 -0.007 -0.801 -25.378 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.886 -0.251 -26.490 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.406 -1.058 -25.880 1.00 0.00 C ATOM 0 H VAL B 80 1.328 -1.222 -23.315 1.00 0.00 H new ATOM 0 HA VAL B 80 0.401 1.129 -24.505 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.430 -1.751 -25.051 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.889 -0.947 -27.329 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.904 -0.124 -26.120 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.497 0.712 -26.819 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.372 -1.742 -26.728 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.859 -0.116 -26.191 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.001 -1.500 -25.081 1.00 0.00 H new ATOM 949 N MET B 81 -1.801 -0.526 -22.728 1.00 0.00 N ATOM 950 CA MET B 81 -3.136 -0.465 -22.144 1.00 0.00 C ATOM 951 C MET B 81 -3.317 0.813 -21.332 1.00 0.00 C ATOM 952 O MET B 81 -4.337 1.492 -21.446 1.00 0.00 O ATOM 953 CB MET B 81 -3.384 -1.686 -21.257 1.00 0.00 C ATOM 954 CG MET B 81 -3.698 -2.952 -22.038 1.00 0.00 C ATOM 955 SD MET B 81 -5.455 -3.121 -22.409 1.00 0.00 S ATOM 956 CE MET B 81 -5.720 -4.847 -22.012 1.00 0.00 C ATOM 0 H MET B 81 -1.216 -1.278 -22.365 1.00 0.00 H new ATOM 0 HA MET B 81 -3.861 -0.463 -22.958 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.504 -1.860 -20.638 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.212 -1.471 -20.581 1.00 0.00 H new ATOM 0 HG2 MET B 81 -3.132 -2.949 -22.970 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.366 -3.819 -21.466 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.764 -5.105 -22.190 1.00 0.00 H new ATOM 0 HE2 MET B 81 -5.080 -5.467 -22.640 1.00 0.00 H new ATOM 0 HE3 MET B 81 -5.477 -5.021 -20.964 1.00 0.00 H new ATOM 966 N ALA B 82 -2.321 1.135 -20.514 1.00 0.00 N ATOM 967 CA ALA B 82 -2.370 2.333 -19.684 1.00 0.00 C ATOM 968 C ALA B 82 -2.340 3.594 -20.540 1.00 0.00 C ATOM 969 O ALA B 82 -3.125 4.518 -20.329 1.00 0.00 O ATOM 970 CB ALA B 82 -1.214 2.337 -18.694 1.00 0.00 C ATOM 0 H ALA B 82 -1.470 0.583 -20.408 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.308 2.323 -19.130 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.263 3.237 -18.081 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.280 1.458 -18.053 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.269 2.319 -19.238 1.00 0.00 H new ATOM 976 N GLY B 83 -1.428 3.627 -21.507 1.00 0.00 N ATOM 977 CA GLY B 83 -1.313 4.781 -22.380 1.00 0.00 C ATOM 978 C GLY B 83 -2.572 5.025 -23.187 1.00 0.00 C ATOM 979 O GLY B 83 -3.108 6.133 -23.195 1.00 0.00 O ATOM 0 H GLY B 83 -0.767 2.875 -21.701 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.092 5.665 -21.782 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.472 4.637 -23.059 1.00 0.00 H new ATOM 983 N VAL B 84 -3.045 3.988 -23.871 1.00 0.00 N ATOM 984 CA VAL B 84 -4.250 4.095 -24.686 1.00 0.00 C ATOM 985 C VAL B 84 -5.422 4.622 -23.867 1.00 0.00 C ATOM 986 O VAL B 84 -6.043 5.623 -24.227 1.00 0.00 O ATOM 987 CB VAL B 84 -4.635 2.735 -25.299 1.00 0.00 C ATOM 988 CG1 VAL B 84 -6.015 2.808 -25.935 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.593 2.295 -26.315 1.00 0.00 C ATOM 0 H VAL B 84 -2.612 3.064 -23.877 1.00 0.00 H new ATOM 0 HA VAL B 84 -4.028 4.797 -25.490 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.668 1.992 -24.502 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.270 1.838 -26.363 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.751 3.075 -25.177 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -6.014 3.563 -26.722 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.881 1.333 -26.738 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.526 3.036 -27.112 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.624 2.201 -25.825 1.00 0.00 H new ATOM 999 N ILE B 85 -5.720 3.943 -22.765 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.818 4.344 -21.894 1.00 0.00 C ATOM 1001 C ILE B 85 -6.656 5.789 -21.435 1.00 0.00 C ATOM 1002 O ILE B 85 -7.616 6.558 -21.421 1.00 0.00 O ATOM 1003 CB ILE B 85 -6.917 3.432 -20.657 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.163 1.983 -21.082 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.025 3.913 -19.731 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -6.810 0.972 -20.014 1.00 0.00 C ATOM 0 H ILE B 85 -5.216 3.112 -22.454 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.734 4.251 -22.478 1.00 0.00 H new ATOM 0 HB ILE B 85 -5.972 3.477 -20.115 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -8.213 1.865 -21.350 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -6.580 1.772 -21.978 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.082 3.258 -18.862 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.811 4.931 -19.405 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -8.977 3.895 -20.262 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -7.010 -0.033 -20.385 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -5.753 1.063 -19.762 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -7.412 1.157 -19.124 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.432 6.152 -21.062 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.165 7.505 -20.609 1.00 0.00 C ATOM 1020 C GLY B 86 -5.554 8.548 -21.638 1.00 0.00 C ATOM 1021 O GLY B 86 -6.273 9.499 -21.329 1.00 0.00 O ATOM 0 H GLY B 86 -4.621 5.533 -21.066 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.712 7.690 -19.684 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.104 7.605 -20.378 1.00 0.00 H new ATOM 1025 N THR B 87 -5.077 8.372 -22.866 1.00 0.00 N ATOM 1026 CA THR B 87 -5.376 9.307 -23.944 1.00 0.00 C ATOM 1027 C THR B 87 -6.880 9.447 -24.148 1.00 0.00 C ATOM 1028 O THR B 87 -7.394 10.554 -24.312 1.00 0.00 O ATOM 1029 CB THR B 87 -4.728 8.864 -25.269 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.441 8.289 -25.016 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.586 10.040 -26.222 1.00 0.00 C ATOM 0 H THR B 87 -4.482 7.590 -23.139 1.00 0.00 H new ATOM 0 HA THR B 87 -4.960 10.271 -23.651 1.00 0.00 H new ATOM 0 HB THR B 87 -5.374 8.118 -25.733 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.938 8.869 -24.407 1.00 0.00 H new ATOM 0 HG21 THR B 87 -4.126 9.702 -27.151 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.570 10.456 -26.435 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.960 10.806 -25.764 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.581 8.318 -24.138 1.00 0.00 N ATOM 1040 CA ILE B 88 -9.027 8.316 -24.322 1.00 0.00 C ATOM 1041 C ILE B 88 -9.711 9.226 -23.307 1.00 0.00 C ATOM 1042 O ILE B 88 -10.518 10.083 -23.670 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.609 6.895 -24.194 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -9.090 6.005 -25.325 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -11.129 6.943 -24.204 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -9.584 6.418 -26.694 1.00 0.00 C ATOM 0 H ILE B 88 -7.171 7.394 -24.005 1.00 0.00 H new ATOM 0 HA ILE B 88 -9.218 8.689 -25.328 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.285 6.469 -23.244 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -8.000 6.024 -25.320 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -9.392 4.975 -25.134 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.526 5.932 -24.113 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.479 7.547 -23.367 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.473 7.385 -25.139 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -9.176 5.743 -27.447 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -10.673 6.372 -26.717 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.259 7.437 -26.906 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.383 9.036 -22.034 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.964 9.841 -20.966 1.00 0.00 C ATOM 1060 C LEU B 89 -9.715 11.327 -21.207 1.00 0.00 C ATOM 1061 O LEU B 89 -10.649 12.131 -21.213 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.380 9.428 -19.613 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.903 8.115 -19.030 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -8.996 7.630 -17.909 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.330 8.285 -18.528 1.00 0.00 C ATOM 0 H LEU B 89 -8.718 8.331 -21.716 1.00 0.00 H new ATOM 0 HA LEU B 89 -11.040 9.668 -20.959 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.297 9.352 -19.715 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.577 10.225 -18.896 1.00 0.00 H new ATOM 0 HG LEU B 89 -9.904 7.364 -19.820 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.384 6.694 -17.506 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -7.991 7.468 -18.298 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.962 8.379 -17.118 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.686 7.340 -18.117 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.354 9.051 -17.753 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.973 8.586 -19.355 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.452 11.685 -21.407 1.00 0.00 N ATOM 1078 CA LEU B 90 -8.080 13.074 -21.651 1.00 0.00 C ATOM 1079 C LEU B 90 -8.815 13.629 -22.867 1.00 0.00 C ATOM 1080 O LEU B 90 -9.417 14.702 -22.804 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.569 13.189 -21.859 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.700 12.938 -20.626 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -4.232 12.862 -21.013 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.924 14.026 -19.585 1.00 0.00 C ATOM 0 H LEU B 90 -7.668 11.033 -21.405 1.00 0.00 H new ATOM 0 HA LEU B 90 -8.366 13.660 -20.777 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -6.275 12.483 -22.636 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -6.349 14.188 -22.236 1.00 0.00 H new ATOM 0 HG LEU B 90 -5.989 11.981 -20.191 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.630 12.683 -20.122 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.084 12.047 -21.721 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.928 13.802 -21.474 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -5.298 13.831 -18.715 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -5.663 14.995 -20.010 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.972 14.032 -19.284 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.764 12.891 -23.971 1.00 0.00 N ATOM 1097 CA ILE B 91 -9.429 13.308 -25.199 1.00 0.00 C ATOM 1098 C ILE B 91 -10.908 13.585 -24.957 1.00 0.00 C ATOM 1099 O ILE B 91 -11.435 14.614 -25.380 1.00 0.00 O ATOM 1100 CB ILE B 91 -9.291 12.243 -26.303 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.827 12.100 -26.724 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -10.159 12.604 -27.499 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -7.501 10.752 -27.329 1.00 0.00 C ATOM 0 H ILE B 91 -8.269 12.002 -24.040 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.940 14.225 -25.527 1.00 0.00 H new ATOM 0 HB ILE B 91 -9.631 11.286 -25.908 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -7.587 12.881 -27.446 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -7.190 12.263 -25.855 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -10.051 11.842 -28.271 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -11.202 12.660 -27.188 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -9.847 13.570 -27.897 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -6.447 10.722 -27.604 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.709 9.967 -26.602 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -8.112 10.595 -28.218 1.00 0.00 H new ATOM 1115 N SER B 92 -11.573 12.660 -24.272 1.00 0.00 N ATOM 1116 CA SER B 92 -12.994 12.803 -23.974 1.00 0.00 C ATOM 1117 C SER B 92 -13.268 14.120 -23.254 1.00 0.00 C ATOM 1118 O SER B 92 -14.349 14.696 -23.379 1.00 0.00 O ATOM 1119 CB SER B 92 -13.478 11.630 -23.120 1.00 0.00 C ATOM 1120 OG SER B 92 -14.583 12.007 -22.316 1.00 0.00 O ATOM 0 H SER B 92 -11.151 11.804 -23.913 1.00 0.00 H new ATOM 0 HA SER B 92 -13.540 12.805 -24.917 1.00 0.00 H new ATOM 0 HB2 SER B 92 -13.761 10.798 -23.765 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.665 11.279 -22.485 1.00 0.00 H new ATOM 0 HG SER B 92 -14.875 11.240 -21.781 1.00 0.00 H new ATOM 1126 N TYR B 93 -12.281 14.590 -22.499 1.00 0.00 N ATOM 1127 CA TYR B 93 -12.416 15.837 -21.755 1.00 0.00 C ATOM 1128 C TYR B 93 -12.375 17.038 -22.695 1.00 0.00 C ATOM 1129 O TYR B 93 -13.082 18.024 -22.491 1.00 0.00 O ATOM 1130 CB TYR B 93 -11.305 15.955 -20.711 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.558 17.027 -19.675 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -12.387 16.786 -18.586 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -10.968 18.280 -19.786 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.621 17.763 -17.638 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -11.196 19.262 -18.841 1.00 0.00 C ATOM 1136 CZ TYR B 93 -12.024 18.999 -17.770 1.00 0.00 C ATOM 1137 OH TYR B 93 -12.254 19.975 -16.827 1.00 0.00 O ATOM 0 H TYR B 93 -11.379 14.127 -22.386 1.00 0.00 H new ATOM 0 HA TYR B 93 -13.381 15.826 -21.249 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -11.188 14.995 -20.207 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -10.363 16.166 -21.217 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -12.856 15.819 -18.479 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -10.321 18.490 -20.625 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -13.268 17.560 -16.798 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -10.728 20.230 -18.941 1.00 0.00 H new ATOM 0 HH TYR B 93 -11.758 20.785 -17.067 1.00 0.00 H new ATOM 1147 N GLY B 94 -11.541 16.947 -23.726 1.00 0.00 N ATOM 1148 CA GLY B 94 -11.423 18.032 -24.683 1.00 0.00 C ATOM 1149 C GLY B 94 -12.704 18.263 -25.459 1.00 0.00 C ATOM 1150 O GLY B 94 -13.063 19.403 -25.754 1.00 0.00 O ATOM 0 H GLY B 94 -10.945 16.141 -23.916 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -11.150 18.947 -24.158 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -10.615 17.811 -25.380 1.00 0.00 H new ATOM 1154 N ILE B 95 -13.395 17.178 -25.793 1.00 0.00 N ATOM 1155 CA ILE B 95 -14.643 17.268 -26.541 1.00 0.00 C ATOM 1156 C ILE B 95 -15.724 17.967 -25.723 1.00 0.00 C ATOM 1157 O ILE B 95 -16.589 18.650 -26.274 1.00 0.00 O ATOM 1158 CB ILE B 95 -15.151 15.875 -26.958 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -14.108 15.165 -27.822 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -16.472 15.995 -27.704 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -13.735 15.932 -29.072 1.00 0.00 C ATOM 0 H ILE B 95 -13.112 16.227 -25.558 1.00 0.00 H new ATOM 0 HA ILE B 95 -14.433 17.852 -27.437 1.00 0.00 H new ATOM 0 HB ILE B 95 -15.316 15.281 -26.059 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -13.210 14.996 -27.228 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -14.491 14.185 -28.107 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -16.819 15.003 -27.992 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -17.213 16.465 -27.058 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -16.331 16.604 -28.597 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.991 15.369 -29.636 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -14.623 16.078 -29.687 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -13.322 16.902 -28.794 1.00 0.00 H new ATOM 1173 N ARG B 96 -15.668 17.794 -24.407 1.00 0.00 N ATOM 1174 CA ARG B 96 -16.642 18.409 -23.513 1.00 0.00 C ATOM 1175 C ARG B 96 -16.370 19.902 -23.358 1.00 0.00 C ATOM 1176 O ARG B 96 -17.295 20.715 -23.358 1.00 0.00 O ATOM 1177 CB ARG B 96 -16.610 17.728 -22.143 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.984 17.333 -21.627 1.00 0.00 C ATOM 1179 CD ARG B 96 -17.915 16.819 -20.198 1.00 0.00 C ATOM 1180 NE ARG B 96 -19.232 16.455 -19.683 1.00 0.00 N ATOM 1181 CZ ARG B 96 -19.418 15.671 -18.627 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -18.376 15.172 -17.976 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -20.648 15.386 -18.219 1.00 0.00 N ATOM 0 H ARG B 96 -14.958 17.233 -23.936 1.00 0.00 H new ATOM 0 HA ARG B 96 -17.632 18.281 -23.951 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -15.984 16.838 -22.204 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -16.140 18.399 -21.424 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -18.653 18.193 -21.674 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -18.409 16.563 -22.272 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -17.257 15.951 -20.156 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -17.474 17.584 -19.559 1.00 0.00 H new ATOM 0 HE ARG B 96 -20.055 16.823 -20.161 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -17.429 15.390 -18.286 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -18.522 14.570 -17.165 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -21.452 15.769 -18.716 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -20.790 14.784 -17.408 1.00 0.00 H new