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 -38:sc= -1.33 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 12.158 -1.141 -18.126 1.00 0.00 N ATOM 197 CA ILE A 73 11.702 0.244 -18.161 1.00 0.00 C ATOM 198 C ILE A 73 11.402 0.688 -19.589 1.00 0.00 C ATOM 199 O ILE A 73 10.288 1.111 -19.899 1.00 0.00 O ATOM 200 CB ILE A 73 12.746 1.196 -17.548 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.131 0.728 -16.143 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.207 2.618 -17.509 1.00 0.00 C ATOM 203 CD1 ILE A 73 14.098 1.655 -15.441 1.00 0.00 C ATOM 0 HA ILE A 73 10.788 0.290 -17.569 1.00 0.00 H new ATOM 0 HB ILE A 73 13.639 1.184 -18.173 1.00 0.00 H new ATOM 0 HG12 ILE A 73 12.228 0.634 -15.540 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.575 -0.265 -16.209 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.956 3.279 -17.073 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.977 2.948 -18.522 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.301 2.647 -16.904 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.326 1.261 -14.451 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.017 1.730 -16.022 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.649 2.643 -15.343 1.00 0.00 H new ATOM 215 N THR A 74 12.404 0.588 -20.457 1.00 0.00 N ATOM 216 CA THR A 74 12.249 0.978 -21.852 1.00 0.00 C ATOM 217 C THR A 74 11.005 0.344 -22.465 1.00 0.00 C ATOM 218 O THR A 74 10.243 1.005 -23.172 1.00 0.00 O ATOM 219 CB THR A 74 13.480 0.579 -22.688 1.00 0.00 C ATOM 220 OG1 THR A 74 14.670 1.100 -22.086 1.00 0.00 O ATOM 221 CG2 THR A 74 13.357 1.097 -24.113 1.00 0.00 C ATOM 0 H THR A 74 13.332 0.240 -20.217 1.00 0.00 H new ATOM 0 HA THR A 74 12.146 2.063 -21.867 1.00 0.00 H new ATOM 0 HB THR A 74 13.535 -0.509 -22.718 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.448 0.841 -22.622 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.238 0.803 -24.684 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.466 0.675 -24.578 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.279 2.184 -24.100 1.00 0.00 H new ATOM 229 N LEU A 75 10.805 -0.940 -22.190 1.00 0.00 N ATOM 230 CA LEU A 75 9.652 -1.664 -22.715 1.00 0.00 C ATOM 231 C LEU A 75 8.351 -0.972 -22.323 1.00 0.00 C ATOM 232 O LEU A 75 7.491 -0.721 -23.168 1.00 0.00 O ATOM 233 CB LEU A 75 9.653 -3.105 -22.201 1.00 0.00 C ATOM 234 CG LEU A 75 10.636 -4.059 -22.879 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.540 -5.448 -22.267 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.378 -4.115 -24.377 1.00 0.00 C ATOM 0 H LEU A 75 11.426 -1.501 -21.607 1.00 0.00 H new ATOM 0 HA LEU A 75 9.723 -1.673 -23.803 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.872 -3.088 -21.133 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.648 -3.511 -22.314 1.00 0.00 H new ATOM 0 HG LEU A 75 11.646 -3.683 -22.719 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.247 -6.113 -22.762 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.776 -5.394 -21.204 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.528 -5.833 -22.395 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.087 -4.799 -24.843 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.362 -4.466 -24.558 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.499 -3.120 -24.805 1.00 0.00 H new ATOM 248 N ILE A 76 8.214 -0.666 -21.037 1.00 0.00 N ATOM 249 CA ILE A 76 7.018 0.000 -20.534 1.00 0.00 C ATOM 250 C ILE A 76 6.764 1.308 -21.276 1.00 0.00 C ATOM 251 O ILE A 76 5.639 1.589 -21.690 1.00 0.00 O ATOM 252 CB ILE A 76 7.129 0.292 -19.026 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.343 -1.008 -18.247 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.883 1.012 -18.533 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.238 -2.021 -18.447 1.00 0.00 C ATOM 0 H ILE A 76 8.916 -0.868 -20.325 1.00 0.00 H new ATOM 0 HA ILE A 76 6.183 -0.680 -20.704 1.00 0.00 H new ATOM 0 HB ILE A 76 7.989 0.940 -18.859 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.291 -1.452 -18.550 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.425 -0.776 -17.185 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.976 1.211 -17.465 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.771 1.954 -19.070 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.008 0.387 -18.710 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.456 -2.917 -17.865 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.290 -1.596 -18.117 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.170 -2.282 -19.503 1.00 0.00 H new ATOM 267 N ILE A 77 7.816 2.101 -21.442 1.00 0.00 N ATOM 268 CA ILE A 77 7.708 3.378 -22.138 1.00 0.00 C ATOM 269 C ILE A 77 7.307 3.178 -23.595 1.00 0.00 C ATOM 270 O ILE A 77 6.374 3.813 -24.087 1.00 0.00 O ATOM 271 CB ILE A 77 9.032 4.163 -22.084 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.376 4.527 -20.638 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.940 5.415 -22.943 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.463 5.577 -20.046 1.00 0.00 C ATOM 0 H ILE A 77 8.753 1.883 -21.104 1.00 0.00 H new ATOM 0 HA ILE A 77 6.935 3.951 -21.627 1.00 0.00 H new ATOM 0 HB ILE A 77 9.828 3.532 -22.479 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.328 3.628 -20.024 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.404 4.886 -20.597 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.883 5.959 -22.895 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.736 5.133 -23.976 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.135 6.051 -22.575 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.765 5.785 -19.020 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.529 6.491 -20.636 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.436 5.213 -20.055 1.00 0.00 H new ATOM 286 N PHE A 78 8.018 2.289 -24.282 1.00 0.00 N ATOM 287 CA PHE A 78 7.736 2.004 -25.684 1.00 0.00 C ATOM 288 C PHE A 78 6.275 1.608 -25.876 1.00 0.00 C ATOM 289 O PHE A 78 5.591 2.126 -26.757 1.00 0.00 O ATOM 290 CB PHE A 78 8.650 0.886 -26.192 1.00 0.00 C ATOM 291 CG PHE A 78 8.270 0.374 -27.552 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.754 0.985 -28.697 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.429 -0.719 -27.685 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.407 0.516 -29.950 1.00 0.00 C ATOM 295 CE2 PHE A 78 7.078 -1.193 -28.935 1.00 0.00 C ATOM 296 CZ PHE A 78 7.567 -0.574 -30.069 1.00 0.00 C ATOM 0 H PHE A 78 8.793 1.754 -23.890 1.00 0.00 H new ATOM 0 HA PHE A 78 7.927 2.910 -26.259 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.676 1.252 -26.224 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.629 0.059 -25.482 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.410 1.838 -28.610 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.043 -1.206 -26.802 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.792 1.001 -30.835 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.422 -2.046 -29.025 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.293 -0.942 -31.047 1.00 0.00 H new ATOM 306 N GLY A 79 5.804 0.685 -25.043 1.00 0.00 N ATOM 307 CA GLY A 79 4.428 0.234 -25.137 1.00 0.00 C ATOM 308 C GLY A 79 3.436 1.376 -25.039 1.00 0.00 C ATOM 309 O GLY A 79 2.592 1.552 -25.918 1.00 0.00 O ATOM 0 H GLY A 79 6.351 0.242 -24.305 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.284 -0.288 -26.083 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.229 -0.485 -24.342 1.00 0.00 H new ATOM 313 N VAL A 80 3.535 2.154 -23.966 1.00 0.00 N ATOM 314 CA VAL A 80 2.639 3.285 -23.757 1.00 0.00 C ATOM 315 C VAL A 80 2.779 4.313 -24.874 1.00 0.00 C ATOM 316 O VAL A 80 1.806 4.958 -25.263 1.00 0.00 O ATOM 317 CB VAL A 80 2.909 3.973 -22.405 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.914 5.099 -22.170 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.857 2.959 -21.272 1.00 0.00 C ATOM 0 H VAL A 80 4.227 2.022 -23.228 1.00 0.00 H new ATOM 0 HA VAL A 80 1.624 2.888 -23.759 1.00 0.00 H new ATOM 0 HB VAL A 80 3.910 4.405 -22.430 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.121 5.573 -21.210 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.005 5.837 -22.966 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.902 4.695 -22.165 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.050 3.462 -20.324 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.871 2.496 -21.243 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.613 2.191 -21.436 1.00 0.00 H new ATOM 329 N MET A 81 3.997 4.459 -25.387 1.00 0.00 N ATOM 330 CA MET A 81 4.264 5.407 -26.462 1.00 0.00 C ATOM 331 C MET A 81 3.535 5.001 -27.738 1.00 0.00 C ATOM 332 O MET A 81 2.904 5.830 -28.394 1.00 0.00 O ATOM 333 CB MET A 81 5.768 5.499 -26.727 1.00 0.00 C ATOM 334 CG MET A 81 6.517 6.331 -25.698 1.00 0.00 C ATOM 335 SD MET A 81 6.592 8.077 -26.139 1.00 0.00 S ATOM 336 CE MET A 81 6.944 8.814 -24.544 1.00 0.00 C ATOM 0 H MET A 81 4.814 3.933 -25.076 1.00 0.00 H new ATOM 0 HA MET A 81 3.897 6.385 -26.151 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.188 4.493 -26.744 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.929 5.928 -27.716 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.031 6.226 -24.728 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.530 5.943 -25.591 1.00 0.00 H new ATOM 0 HE1 MET A 81 7.020 9.896 -24.652 1.00 0.00 H new ATOM 0 HE2 MET A 81 6.141 8.575 -23.847 1.00 0.00 H new ATOM 0 HE3 MET A 81 7.886 8.420 -24.161 1.00 0.00 H new ATOM 346 N ALA A 82 3.625 3.722 -28.085 1.00 0.00 N ATOM 347 CA ALA A 82 2.973 3.207 -29.283 1.00 0.00 C ATOM 348 C ALA A 82 1.455 3.268 -29.150 1.00 0.00 C ATOM 349 O ALA A 82 0.758 3.698 -30.068 1.00 0.00 O ATOM 350 CB ALA A 82 3.423 1.780 -29.557 1.00 0.00 C ATOM 0 H ALA A 82 4.143 3.023 -27.553 1.00 0.00 H new ATOM 0 HA ALA A 82 3.264 3.836 -30.124 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.928 1.408 -30.454 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.503 1.761 -29.704 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.161 1.147 -28.709 1.00 0.00 H new ATOM 356 N GLY A 83 0.948 2.833 -28.000 1.00 0.00 N ATOM 357 CA GLY A 83 -0.485 2.847 -27.768 1.00 0.00 C ATOM 358 C GLY A 83 -1.065 4.247 -27.805 1.00 0.00 C ATOM 359 O GLY A 83 -2.035 4.507 -28.517 1.00 0.00 O ATOM 0 H GLY A 83 1.504 2.471 -27.225 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.978 2.233 -28.522 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.698 2.395 -26.799 1.00 0.00 H new ATOM 363 N VAL A 84 -0.471 5.152 -27.033 1.00 0.00 N ATOM 364 CA VAL A 84 -0.935 6.533 -26.980 1.00 0.00 C ATOM 365 C VAL A 84 -1.010 7.142 -28.375 1.00 0.00 C ATOM 366 O VAL A 84 -2.066 7.609 -28.804 1.00 0.00 O ATOM 367 CB VAL A 84 -0.015 7.401 -26.101 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.345 8.875 -26.276 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.129 6.989 -24.641 1.00 0.00 C ATOM 0 H VAL A 84 0.332 4.953 -26.436 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.933 6.515 -26.541 1.00 0.00 H new ATOM 0 HB VAL A 84 1.016 7.244 -26.419 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.315 9.473 -25.647 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.206 9.158 -27.320 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.381 9.053 -25.987 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.528 7.613 -24.035 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.159 7.114 -24.307 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.162 5.944 -24.534 1.00 0.00 H new ATOM 816 N ILE B 73 6.115 -9.857 -22.348 1.00 0.00 N ATOM 817 CA ILE B 73 4.897 -9.632 -23.116 1.00 0.00 C ATOM 818 C ILE B 73 3.869 -8.854 -22.301 1.00 0.00 C ATOM 819 O ILE B 73 3.367 -7.818 -22.738 1.00 0.00 O ATOM 820 CB ILE B 73 4.270 -10.960 -23.580 1.00 0.00 C ATOM 821 CG1 ILE B 73 5.288 -11.779 -24.375 1.00 0.00 C ATOM 822 CG2 ILE B 73 3.026 -10.695 -24.415 1.00 0.00 C ATOM 823 CD1 ILE B 73 5.837 -11.053 -25.584 1.00 0.00 C ATOM 0 HA ILE B 73 5.180 -9.048 -23.992 1.00 0.00 H new ATOM 0 HB ILE B 73 3.978 -11.534 -22.701 1.00 0.00 H new ATOM 0 HG12 ILE B 73 6.115 -12.052 -23.719 1.00 0.00 H new ATOM 0 HG13 ILE B 73 4.820 -12.708 -24.701 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.594 -11.643 -24.736 1.00 0.00 H new ATOM 0 HG22 ILE B 73 2.297 -10.148 -23.818 1.00 0.00 H new ATOM 0 HG23 ILE B 73 3.295 -10.104 -25.291 1.00 0.00 H new ATOM 0 HD11 ILE B 73 6.553 -11.694 -26.099 1.00 0.00 H new ATOM 0 HD12 ILE B 73 5.020 -10.804 -26.261 1.00 0.00 H new ATOM 0 HD13 ILE B 73 6.335 -10.138 -25.264 1.00 0.00 H new ATOM 835 N THR B 74 3.560 -9.360 -21.111 1.00 0.00 N ATOM 836 CA THR B 74 2.593 -8.714 -20.233 1.00 0.00 C ATOM 837 C THR B 74 2.897 -7.228 -20.080 1.00 0.00 C ATOM 838 O THR B 74 2.004 -6.387 -20.190 1.00 0.00 O ATOM 839 CB THR B 74 2.574 -9.369 -18.839 1.00 0.00 C ATOM 840 OG1 THR B 74 2.255 -10.759 -18.955 1.00 0.00 O ATOM 841 CG2 THR B 74 1.562 -8.684 -17.933 1.00 0.00 C ATOM 0 H THR B 74 3.966 -10.216 -20.733 1.00 0.00 H new ATOM 0 HA THR B 74 1.614 -8.836 -20.697 1.00 0.00 H new ATOM 0 HB THR B 74 3.565 -9.260 -18.397 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.247 -11.168 -18.065 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.567 -9.164 -16.954 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.826 -7.632 -17.823 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.568 -8.765 -18.372 1.00 0.00 H new ATOM 849 N LEU B 75 4.161 -6.910 -19.826 1.00 0.00 N ATOM 850 CA LEU B 75 4.583 -5.524 -19.658 1.00 0.00 C ATOM 851 C LEU B 75 4.213 -4.691 -20.881 1.00 0.00 C ATOM 852 O LEU B 75 3.633 -3.612 -20.756 1.00 0.00 O ATOM 853 CB LEU B 75 6.092 -5.455 -19.417 1.00 0.00 C ATOM 854 CG LEU B 75 6.594 -6.086 -18.118 1.00 0.00 C ATOM 855 CD1 LEU B 75 8.115 -6.094 -18.082 1.00 0.00 C ATOM 856 CD2 LEU B 75 6.034 -5.345 -16.914 1.00 0.00 C ATOM 0 H LEU B 75 4.912 -7.594 -19.732 1.00 0.00 H new ATOM 0 HA LEU B 75 4.064 -5.114 -18.791 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.596 -5.942 -20.252 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.394 -4.408 -19.429 1.00 0.00 H new ATOM 0 HG LEU B 75 6.245 -7.118 -18.079 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.455 -6.547 -17.150 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.496 -6.670 -18.925 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.486 -5.071 -18.145 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.402 -5.808 -15.998 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.353 -4.303 -16.947 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.945 -5.392 -16.932 1.00 0.00 H new ATOM 868 N ILE B 76 4.550 -5.199 -22.061 1.00 0.00 N ATOM 869 CA ILE B 76 4.250 -4.503 -23.306 1.00 0.00 C ATOM 870 C ILE B 76 2.759 -4.207 -23.425 1.00 0.00 C ATOM 871 O ILE B 76 2.363 -3.096 -23.779 1.00 0.00 O ATOM 872 CB ILE B 76 4.699 -5.322 -24.531 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.174 -5.709 -24.401 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.463 -4.534 -25.811 1.00 0.00 C ATOM 875 CD1 ILE B 76 7.113 -4.523 -24.419 1.00 0.00 C ATOM 0 H ILE B 76 5.031 -6.090 -22.181 1.00 0.00 H new ATOM 0 HA ILE B 76 4.804 -3.564 -23.284 1.00 0.00 H new ATOM 0 HB ILE B 76 4.106 -6.235 -24.576 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.316 -6.261 -23.472 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.438 -6.383 -25.216 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.785 -5.126 -26.667 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.402 -4.305 -25.907 1.00 0.00 H new ATOM 0 HG23 ILE B 76 5.033 -3.605 -25.777 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.141 -4.872 -24.323 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.999 -3.983 -25.359 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.876 -3.859 -23.588 1.00 0.00 H new ATOM 887 N ILE B 77 1.937 -5.207 -23.125 1.00 0.00 N ATOM 888 CA ILE B 77 0.490 -5.053 -23.195 1.00 0.00 C ATOM 889 C ILE B 77 -0.004 -4.027 -22.180 1.00 0.00 C ATOM 890 O ILE B 77 -0.753 -3.111 -22.521 1.00 0.00 O ATOM 891 CB ILE B 77 -0.232 -6.391 -22.948 1.00 0.00 C ATOM 892 CG1 ILE B 77 0.222 -7.436 -23.969 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.740 -6.199 -23.013 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.564 -8.726 -23.904 1.00 0.00 C ATOM 0 H ILE B 77 2.249 -6.133 -22.831 1.00 0.00 H new ATOM 0 HA ILE B 77 0.259 -4.705 -24.202 1.00 0.00 H new ATOM 0 HB ILE B 77 0.026 -6.748 -21.951 1.00 0.00 H new ATOM 0 HG12 ILE B 77 0.133 -7.016 -24.971 1.00 0.00 H new ATOM 0 HG13 ILE B 77 1.278 -7.655 -23.808 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.236 -7.153 -22.837 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -2.049 -5.483 -22.251 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.017 -5.823 -23.998 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.188 -9.420 -24.656 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.455 -9.169 -22.914 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -1.617 -8.520 -24.095 1.00 0.00 H new ATOM 906 N PHE B 78 0.423 -4.186 -20.932 1.00 0.00 N ATOM 907 CA PHE B 78 0.026 -3.273 -19.866 1.00 0.00 C ATOM 908 C PHE B 78 0.344 -1.828 -20.240 1.00 0.00 C ATOM 909 O PHE B 78 -0.498 -0.941 -20.108 1.00 0.00 O ATOM 910 CB PHE B 78 0.733 -3.641 -18.560 1.00 0.00 C ATOM 911 CG PHE B 78 0.583 -2.604 -17.484 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.491 -2.642 -16.610 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.517 -1.589 -17.347 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.631 -1.689 -15.619 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.382 -0.634 -16.358 1.00 0.00 C ATOM 916 CZ PHE B 78 0.306 -0.683 -15.494 1.00 0.00 C ATOM 0 H PHE B 78 1.044 -4.938 -20.634 1.00 0.00 H new ATOM 0 HA PHE B 78 -1.051 -3.365 -19.726 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.337 -4.590 -18.197 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.793 -3.794 -18.761 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.228 -3.426 -16.704 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.360 -1.544 -18.021 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.472 -1.731 -14.943 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.118 0.151 -16.261 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.198 0.064 -14.722 1.00 0.00 H new ATOM 926 N GLY B 79 1.568 -1.600 -20.708 1.00 0.00 N ATOM 927 CA GLY B 79 1.977 -0.263 -21.094 1.00 0.00 C ATOM 928 C GLY B 79 1.059 0.347 -22.134 1.00 0.00 C ATOM 929 O GLY B 79 0.522 1.437 -21.937 1.00 0.00 O ATOM 0 H GLY B 79 2.283 -2.318 -20.826 1.00 0.00 H new ATOM 0 HA2 GLY B 79 1.997 0.376 -20.212 1.00 0.00 H new ATOM 0 HA3 GLY B 79 2.993 -0.296 -21.486 1.00 0.00 H new ATOM 933 N VAL B 80 0.879 -0.356 -23.248 1.00 0.00 N ATOM 934 CA VAL B 80 0.020 0.123 -24.325 1.00 0.00 C ATOM 935 C VAL B 80 -1.419 0.286 -23.848 1.00 0.00 C ATOM 936 O VAL B 80 -2.133 1.183 -24.295 1.00 0.00 O ATOM 937 CB VAL B 80 0.045 -0.836 -25.530 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.795 -0.281 -26.671 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.476 -1.085 -25.983 1.00 0.00 C ATOM 0 H VAL B 80 1.317 -1.259 -23.428 1.00 0.00 H new ATOM 0 HA VAL B 80 0.409 1.093 -24.634 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.386 -1.789 -25.223 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.766 -0.972 -27.514 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.826 -0.158 -26.338 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.396 0.685 -26.980 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.475 -1.765 -26.835 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.935 -0.140 -26.273 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.044 -1.529 -25.166 1.00 0.00 H new ATOM 949 N MET B 81 -1.837 -0.587 -22.937 1.00 0.00 N ATOM 950 CA MET B 81 -3.191 -0.538 -22.399 1.00 0.00 C ATOM 951 C MET B 81 -3.411 0.740 -21.595 1.00 0.00 C ATOM 952 O MET B 81 -4.425 1.419 -21.755 1.00 0.00 O ATOM 953 CB MET B 81 -3.457 -1.760 -21.518 1.00 0.00 C ATOM 954 CG MET B 81 -3.730 -3.030 -22.307 1.00 0.00 C ATOM 955 SD MET B 81 -5.475 -3.233 -22.716 1.00 0.00 S ATOM 956 CE MET B 81 -5.830 -4.797 -21.918 1.00 0.00 C ATOM 0 H MET B 81 -1.258 -1.336 -22.557 1.00 0.00 H new ATOM 0 HA MET B 81 -3.888 -0.544 -23.237 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.597 -1.923 -20.868 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.310 -1.553 -20.872 1.00 0.00 H new ATOM 0 HG2 MET B 81 -3.145 -3.015 -23.226 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.394 -3.891 -21.730 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.875 -5.060 -22.081 1.00 0.00 H new ATOM 0 HE2 MET B 81 -5.191 -5.573 -22.338 1.00 0.00 H new ATOM 0 HE3 MET B 81 -5.640 -4.711 -20.848 1.00 0.00 H new ATOM 966 N ALA B 82 -2.454 1.061 -20.730 1.00 0.00 N ATOM 967 CA ALA B 82 -2.543 2.258 -19.903 1.00 0.00 C ATOM 968 C ALA B 82 -2.473 3.521 -20.755 1.00 0.00 C ATOM 969 O ALA B 82 -3.254 4.452 -20.566 1.00 0.00 O ATOM 970 CB ALA B 82 -1.435 2.262 -18.859 1.00 0.00 C ATOM 0 H ALA B 82 -1.609 0.509 -20.584 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.507 2.247 -19.395 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.514 3.162 -18.249 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.531 1.382 -18.223 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.466 2.245 -19.357 1.00 0.00 H new ATOM 976 N GLY B 83 -1.532 3.544 -21.694 1.00 0.00 N ATOM 977 CA GLY B 83 -1.378 4.698 -22.561 1.00 0.00 C ATOM 978 C GLY B 83 -2.605 4.949 -23.415 1.00 0.00 C ATOM 979 O GLY B 83 -3.135 6.060 -23.442 1.00 0.00 O ATOM 0 H GLY B 83 -0.874 2.785 -21.870 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.175 5.580 -21.954 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.513 4.550 -23.208 1.00 0.00 H new ATOM 983 N VAL B 84 -3.057 3.915 -24.118 1.00 0.00 N ATOM 984 CA VAL B 84 -4.228 4.029 -24.978 1.00 0.00 C ATOM 985 C VAL B 84 -5.422 4.584 -24.210 1.00 0.00 C ATOM 986 O VAL B 84 -5.995 5.607 -24.588 1.00 0.00 O ATOM 987 CB VAL B 84 -4.612 2.667 -25.587 1.00 0.00 C ATOM 988 CG1 VAL B 84 -5.976 2.746 -26.255 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.550 2.209 -26.576 1.00 0.00 C ATOM 0 H VAL B 84 -2.629 2.989 -24.108 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.965 4.717 -25.781 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.670 1.932 -24.784 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.230 1.775 -26.679 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.727 3.027 -25.517 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -5.950 3.493 -27.048 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.836 1.245 -26.997 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.458 2.942 -27.377 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.593 2.111 -26.063 1.00 0.00 H new ATOM 999 N ILE B 85 -5.792 3.904 -23.130 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.918 4.331 -22.308 1.00 0.00 C ATOM 1001 C ILE B 85 -6.735 5.766 -21.828 1.00 0.00 C ATOM 1002 O ILE B 85 -7.677 6.557 -21.829 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.101 3.412 -21.085 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.328 1.967 -21.535 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.263 3.895 -20.230 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -7.102 0.951 -20.438 1.00 0.00 C ATOM 0 H ILE B 85 -5.329 3.056 -22.804 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.808 4.271 -22.935 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.193 3.447 -20.483 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -8.347 1.867 -21.908 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -6.661 1.745 -22.368 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.380 3.236 -19.370 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -8.064 4.910 -19.885 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.178 3.886 -20.822 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -7.281 -0.051 -20.828 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -6.075 1.024 -20.081 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -7.788 1.147 -19.614 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.513 6.097 -21.420 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.228 7.439 -20.945 1.00 0.00 C ATOM 1020 C GLY B 86 -5.538 8.499 -21.982 1.00 0.00 C ATOM 1021 O GLY B 86 -6.251 9.464 -21.702 1.00 0.00 O ATOM 0 H GLY B 86 -4.716 5.460 -21.410 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.811 7.634 -20.045 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.177 7.506 -20.664 1.00 0.00 H new ATOM 1025 N THR B 87 -5.000 8.324 -23.185 1.00 0.00 N ATOM 1026 CA THR B 87 -5.221 9.275 -24.267 1.00 0.00 C ATOM 1027 C THR B 87 -6.709 9.453 -24.547 1.00 0.00 C ATOM 1028 O THR B 87 -7.187 10.575 -24.723 1.00 0.00 O ATOM 1029 CB THR B 87 -4.517 8.826 -25.562 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.255 8.225 -25.250 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.305 10.006 -26.499 1.00 0.00 C ATOM 0 H THR B 87 -4.408 7.532 -23.434 1.00 0.00 H new ATOM 0 HA THR B 87 -4.798 10.226 -23.943 1.00 0.00 H new ATOM 0 HB THR B 87 -5.153 8.095 -26.062 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.835 8.712 -24.511 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.806 9.665 -27.406 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.269 10.443 -26.757 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.687 10.756 -26.005 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.436 8.342 -24.586 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.871 8.377 -24.843 1.00 0.00 C ATOM 1041 C ILE B 88 -9.583 9.297 -23.857 1.00 0.00 C ATOM 1042 O ILE B 88 -10.350 10.176 -24.253 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.493 6.971 -24.758 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.838 6.038 -25.779 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -10.995 7.042 -24.984 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -8.955 4.573 -25.420 1.00 0.00 C ATOM 0 H ILE B 88 -7.056 7.406 -24.443 1.00 0.00 H new ATOM 0 HA ILE B 88 -9.001 8.762 -25.855 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.315 6.570 -23.760 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.295 6.202 -26.755 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.784 6.298 -25.873 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.420 6.040 -24.921 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.448 7.677 -24.223 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.195 7.460 -25.971 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.469 3.970 -26.187 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.473 4.394 -24.459 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -10.008 4.297 -25.355 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.325 9.089 -22.570 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.940 9.900 -21.526 1.00 0.00 C ATOM 1060 C LEU B 89 -9.643 11.381 -21.740 1.00 0.00 C ATOM 1061 O LEU B 89 -10.555 12.208 -21.786 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.437 9.462 -20.149 1.00 0.00 C ATOM 1063 CG LEU B 89 -10.023 8.159 -19.604 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -9.196 7.650 -18.434 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.473 8.361 -19.187 1.00 0.00 C ATOM 0 H LEU B 89 -8.694 8.366 -22.225 1.00 0.00 H new ATOM 0 HA LEU B 89 -11.019 9.754 -21.576 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.353 9.358 -20.197 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.650 10.259 -19.436 1.00 0.00 H new ATOM 0 HG LEU B 89 -9.994 7.410 -20.395 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.628 6.722 -18.059 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -8.173 7.467 -18.764 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -9.193 8.396 -17.639 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.875 7.424 -18.802 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.525 9.125 -18.411 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -12.059 8.679 -20.049 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.362 11.709 -21.873 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.944 13.090 -22.086 1.00 0.00 C ATOM 1079 C LEU B 90 -8.604 13.673 -23.331 1.00 0.00 C ATOM 1080 O LEU B 90 -9.179 14.761 -23.289 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.422 13.169 -22.217 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.623 12.867 -20.949 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -4.205 12.443 -21.299 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.607 14.079 -20.028 1.00 0.00 C ATOM 0 H LEU B 90 -7.595 11.037 -21.837 1.00 0.00 H new ATOM 0 HA LEU B 90 -8.259 13.676 -21.222 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -6.108 12.473 -22.995 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -6.158 14.170 -22.559 1.00 0.00 H new ATOM 0 HG LEU B 90 -6.107 12.043 -20.425 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.652 12.232 -20.384 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.236 11.547 -21.919 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.710 13.245 -21.846 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -5.034 13.846 -19.130 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -5.147 14.922 -20.544 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.629 14.338 -19.749 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.519 12.942 -24.437 1.00 0.00 N ATOM 1097 CA ILE B 91 -9.111 13.385 -25.693 1.00 0.00 C ATOM 1098 C ILE B 91 -10.593 13.700 -25.522 1.00 0.00 C ATOM 1099 O ILE B 91 -11.070 14.749 -25.955 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.947 12.324 -26.798 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.468 12.141 -27.144 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.742 12.720 -28.034 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -7.149 10.785 -27.733 1.00 0.00 C ATOM 0 H ILE B 91 -8.046 12.040 -24.489 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.582 14.291 -25.989 1.00 0.00 H new ATOM 0 HB ILE B 91 -9.334 11.374 -26.430 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -7.170 12.915 -27.852 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -6.872 12.286 -26.243 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.616 11.961 -28.806 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.798 12.804 -27.776 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -9.382 13.679 -28.406 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -6.083 10.726 -27.954 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.415 10.006 -27.018 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -7.718 10.644 -28.652 1.00 0.00 H new ATOM 1115 N SER B 92 -11.317 12.785 -24.884 1.00 0.00 N ATOM 1116 CA SER B 92 -12.746 12.964 -24.657 1.00 0.00 C ATOM 1117 C SER B 92 -13.021 14.278 -23.932 1.00 0.00 C ATOM 1118 O SER B 92 -14.078 14.885 -24.102 1.00 0.00 O ATOM 1119 CB SER B 92 -13.305 11.794 -23.844 1.00 0.00 C ATOM 1120 OG SER B 92 -14.678 11.987 -23.551 1.00 0.00 O ATOM 0 H SER B 92 -10.937 11.913 -24.516 1.00 0.00 H new ATOM 0 HA SER B 92 -13.242 12.994 -25.627 1.00 0.00 H new ATOM 0 HB2 SER B 92 -13.176 10.866 -24.400 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.743 11.690 -22.916 1.00 0.00 H new ATOM 0 HG SER B 92 -15.012 11.226 -23.032 1.00 0.00 H new ATOM 1126 N TYR B 93 -12.060 14.711 -23.123 1.00 0.00 N ATOM 1127 CA TYR B 93 -12.198 15.952 -22.369 1.00 0.00 C ATOM 1128 C TYR B 93 -12.082 17.164 -23.289 1.00 0.00 C ATOM 1129 O TYR B 93 -12.772 18.166 -23.105 1.00 0.00 O ATOM 1130 CB TYR B 93 -11.136 16.027 -21.271 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.443 17.049 -20.200 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -12.509 16.871 -19.327 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -10.667 18.193 -20.062 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.793 17.802 -18.348 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -10.943 19.130 -19.084 1.00 0.00 C ATOM 1136 CZ TYR B 93 -12.008 18.930 -18.230 1.00 0.00 C ATOM 1137 OH TYR B 93 -12.287 19.860 -17.255 1.00 0.00 O ATOM 0 H TYR B 93 -11.178 14.222 -22.973 1.00 0.00 H new ATOM 0 HA TYR B 93 -13.187 15.961 -21.910 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -11.035 15.046 -20.807 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -10.174 16.266 -21.724 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -13.126 15.989 -19.416 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -9.834 18.353 -20.730 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -13.626 17.648 -17.678 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -10.329 20.013 -18.989 1.00 0.00 H new ATOM 0 HH TYR B 93 -11.639 20.593 -17.307 1.00 0.00 H new ATOM 1147 N GLY B 94 -11.202 17.064 -24.281 1.00 0.00 N ATOM 1148 CA GLY B 94 -11.010 18.157 -25.216 1.00 0.00 C ATOM 1149 C GLY B 94 -12.248 18.433 -26.047 1.00 0.00 C ATOM 1150 O GLY B 94 -12.563 19.587 -26.337 1.00 0.00 O ATOM 0 H GLY B 94 -10.619 16.245 -24.454 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.737 19.058 -24.666 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -10.176 17.923 -25.878 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.949 17.372 -26.432 1.00 0.00 N ATOM 1155 CA ILE B 95 -14.158 17.506 -27.235 1.00 0.00 C ATOM 1156 C ILE B 95 -15.258 18.221 -26.457 1.00 0.00 C ATOM 1157 O ILE B 95 -16.085 18.924 -27.037 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.681 16.134 -27.698 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.618 15.413 -28.529 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.964 16.299 -28.498 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -13.252 16.140 -29.804 1.00 0.00 C ATOM 0 H ILE B 95 -12.700 16.410 -26.201 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.892 18.098 -28.110 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.900 15.529 -26.818 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -12.721 15.284 -27.924 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -13.979 14.416 -28.780 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -16.321 15.320 -28.818 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.722 16.776 -27.876 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.770 16.919 -29.373 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.493 15.571 -30.342 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -14.138 16.246 -30.430 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -12.860 17.127 -29.560 1.00 0.00 H new ATOM 1173 N ARG B 96 -15.259 18.037 -25.141 1.00 0.00 N ATOM 1174 CA ARG B 96 -16.257 18.665 -24.283 1.00 0.00 C ATOM 1175 C ARG B 96 -15.983 20.159 -24.134 1.00 0.00 C ATOM 1176 O ARG B 96 -16.904 20.952 -23.937 1.00 0.00 O ATOM 1177 CB ARG B 96 -16.269 17.998 -22.906 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.430 17.037 -22.706 1.00 0.00 C ATOM 1179 CD ARG B 96 -17.249 16.200 -21.449 1.00 0.00 C ATOM 1180 NE ARG B 96 -18.022 14.962 -21.500 1.00 0.00 N ATOM 1181 CZ ARG B 96 -17.823 13.937 -20.680 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -16.881 14.001 -19.749 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -18.567 12.843 -20.789 1.00 0.00 N ATOM 0 H ARG B 96 -14.580 17.459 -24.646 1.00 0.00 H new ATOM 0 HA ARG B 96 -17.234 18.537 -24.750 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -15.333 17.458 -22.765 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -16.311 18.770 -22.138 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -18.362 17.599 -22.640 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -17.514 16.381 -23.572 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -16.193 15.963 -21.320 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -17.553 16.782 -20.579 1.00 0.00 H new ATOM 0 HE ARG B 96 -18.755 14.880 -22.204 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -16.307 14.839 -19.661 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -16.731 13.212 -19.121 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -19.293 12.789 -21.504 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -18.413 12.056 -20.158 1.00 0.00 H new