USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 690 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 Set 1.1: A 40 TYR OH : rot 180:sc= 0.371 USER MOD Set 1.2: A 92 ASN : amide:sc= 0.336 K(o=0.71,f=-0.17) USER MOD Set 2.1: A 33 ASN : amide:sc= 1.11 K(o=2.2,f=-0.21) USER MOD Set 2.2: A 37 SER OG : rot -41:sc= 1.09 USER MOD Single : A 0 MET CE :methyl 180:sc= -0.444 (180deg=-0.444) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 172:sc= 1.27 USER MOD Single : A 11 GLN : amide:sc= -0.0268 K(o=-0.027,f=-0.73) USER MOD Single : A 14 LYS NZ :NH3+ 166:sc= -0.0156 (180deg=-0.181) USER MOD Single : A 17 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0609) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 21 THR OG1 : rot -165:sc= -2.98! USER MOD Single : A 24 MET CE :methyl 162:sc= -0.123 (180deg=-0.582) USER MOD Single : A 25 CYS SG : rot -168:sc= -2.01! USER MOD Single : A 42 MET CE :methyl -163:sc= -2.01! (180deg=-2.51!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 160:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -33:sc= 0.0226 USER MOD Single : A 73 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 74 THR OG1 : rot -94:sc= 0.93 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.198 X(o=0.2,f=-0.012) USER MOD Single : A 87 HIS : no HE2:sc= 0 X(o=0,f=-0.058) USER MOD ----------------------------------------------------------------- ATOM 295 N MET A 0 98.074 10.430 -2.963 1.00 0.00 N ATOM 296 CA MET A 0 98.083 9.023 -2.593 1.00 0.00 C ATOM 297 C MET A 0 96.949 8.302 -3.305 1.00 0.00 C ATOM 298 O MET A 0 95.775 8.584 -3.070 1.00 0.00 O ATOM 299 CB MET A 0 97.956 8.850 -1.079 1.00 0.00 C ATOM 300 CG MET A 0 98.129 7.410 -0.626 1.00 0.00 C ATOM 301 SD MET A 0 98.025 7.219 1.161 1.00 0.00 S ATOM 302 CE MET A 0 98.357 5.469 1.324 1.00 0.00 C ATOM 0 H1 MET A 0 98.850 10.922 -2.476 1.00 0.00 H new ATOM 0 H2 MET A 0 98.199 10.519 -3.992 1.00 0.00 H new ATOM 0 H3 MET A 0 97.166 10.856 -2.687 1.00 0.00 H new ATOM 0 HA MET A 0 99.035 8.590 -2.898 1.00 0.00 H new ATOM 0 HB2 MET A 0 98.702 9.472 -0.585 1.00 0.00 H new ATOM 0 HB3 MET A 0 96.978 9.210 -0.759 1.00 0.00 H new ATOM 0 HG2 MET A 0 97.365 6.792 -1.097 1.00 0.00 H new ATOM 0 HG3 MET A 0 99.095 7.040 -0.970 1.00 0.00 H new ATOM 0 HE1 MET A 0 98.329 5.190 2.377 1.00 0.00 H new ATOM 0 HE2 MET A 0 97.602 4.903 0.778 1.00 0.00 H new ATOM 0 HE3 MET A 0 99.343 5.246 0.916 1.00 0.00 H new ATOM 312 N MET A 1 97.306 7.371 -4.172 1.00 0.00 N ATOM 313 CA MET A 1 96.334 6.736 -5.053 1.00 0.00 C ATOM 314 C MET A 1 95.715 5.491 -4.422 1.00 0.00 C ATOM 315 O MET A 1 95.751 4.409 -5.005 1.00 0.00 O ATOM 316 CB MET A 1 96.993 6.380 -6.388 1.00 0.00 C ATOM 317 CG MET A 1 97.495 7.586 -7.163 1.00 0.00 C ATOM 318 SD MET A 1 98.352 7.129 -8.682 1.00 0.00 S ATOM 319 CE MET A 1 98.786 8.746 -9.322 1.00 0.00 C ATOM 0 H MET A 1 98.262 7.036 -4.287 1.00 0.00 H new ATOM 0 HA MET A 1 95.528 7.449 -5.223 1.00 0.00 H new ATOM 0 HB2 MET A 1 97.829 5.705 -6.202 1.00 0.00 H new ATOM 0 HB3 MET A 1 96.276 5.837 -7.003 1.00 0.00 H new ATOM 0 HG2 MET A 1 96.652 8.233 -7.407 1.00 0.00 H new ATOM 0 HG3 MET A 1 98.168 8.165 -6.531 1.00 0.00 H new ATOM 0 HE1 MET A 1 99.324 8.632 -10.263 1.00 0.00 H new ATOM 0 HE2 MET A 1 97.879 9.326 -9.490 1.00 0.00 H new ATOM 0 HE3 MET A 1 99.420 9.264 -8.602 1.00 0.00 H new ATOM 329 N PHE A 2 95.144 5.643 -3.236 1.00 0.00 N ATOM 330 CA PHE A 2 94.428 4.546 -2.601 1.00 0.00 C ATOM 331 C PHE A 2 93.023 4.464 -3.181 1.00 0.00 C ATOM 332 O PHE A 2 92.149 5.258 -2.834 1.00 0.00 O ATOM 333 CB PHE A 2 94.371 4.732 -1.081 1.00 0.00 C ATOM 334 CG PHE A 2 93.640 3.629 -0.362 1.00 0.00 C ATOM 335 CD1 PHE A 2 94.167 2.349 -0.310 1.00 0.00 C ATOM 336 CD2 PHE A 2 92.424 3.874 0.259 1.00 0.00 C ATOM 337 CE1 PHE A 2 93.498 1.334 0.347 1.00 0.00 C ATOM 338 CE2 PHE A 2 91.751 2.862 0.918 1.00 0.00 C ATOM 339 CZ PHE A 2 92.288 1.592 0.963 1.00 0.00 C ATOM 0 H PHE A 2 95.162 6.509 -2.697 1.00 0.00 H new ATOM 0 HA PHE A 2 94.959 3.615 -2.799 1.00 0.00 H new ATOM 0 HB2 PHE A 2 95.388 4.795 -0.693 1.00 0.00 H new ATOM 0 HB3 PHE A 2 93.886 5.682 -0.858 1.00 0.00 H new ATOM 0 HD1 PHE A 2 95.113 2.142 -0.789 1.00 0.00 H new ATOM 0 HD2 PHE A 2 91.998 4.866 0.227 1.00 0.00 H new ATOM 0 HE1 PHE A 2 93.920 0.340 0.379 1.00 0.00 H new ATOM 0 HE2 PHE A 2 90.805 3.066 1.398 1.00 0.00 H new ATOM 0 HZ PHE A 2 91.764 0.801 1.479 1.00 0.00 H new ATOM 349 N LYS A 3 92.819 3.517 -4.084 1.00 0.00 N ATOM 350 CA LYS A 3 91.553 3.407 -4.790 1.00 0.00 C ATOM 351 C LYS A 3 90.673 2.334 -4.171 1.00 0.00 C ATOM 352 O LYS A 3 90.890 1.142 -4.382 1.00 0.00 O ATOM 353 CB LYS A 3 91.788 3.103 -6.272 1.00 0.00 C ATOM 354 CG LYS A 3 92.607 4.164 -6.992 1.00 0.00 C ATOM 355 CD LYS A 3 92.686 3.893 -8.487 1.00 0.00 C ATOM 356 CE LYS A 3 93.359 2.562 -8.787 1.00 0.00 C ATOM 357 NZ LYS A 3 93.335 2.243 -10.239 1.00 0.00 N ATOM 0 H LYS A 3 93.512 2.816 -4.344 1.00 0.00 H new ATOM 0 HA LYS A 3 91.039 4.364 -4.703 1.00 0.00 H new ATOM 0 HB2 LYS A 3 92.296 2.143 -6.361 1.00 0.00 H new ATOM 0 HB3 LYS A 3 90.824 3.001 -6.770 1.00 0.00 H new ATOM 0 HG2 LYS A 3 92.162 5.145 -6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 3 93.613 4.194 -6.574 1.00 0.00 H new ATOM 0 HD2 LYS A 3 91.681 3.895 -8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 3 93.239 4.697 -8.973 1.00 0.00 H new ATOM 0 HE2 LYS A 3 94.391 2.591 -8.439 1.00 0.00 H new ATOM 0 HE3 LYS A 3 92.858 1.769 -8.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 93.803 1.329 -10.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 92.349 2.190 -10.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 93.836 2.987 -10.766 1.00 0.00 H new ATOM 371 N LEU A 4 89.692 2.763 -3.394 1.00 0.00 N ATOM 372 CA LEU A 4 88.740 1.847 -2.788 1.00 0.00 C ATOM 373 C LEU A 4 87.469 1.824 -3.631 1.00 0.00 C ATOM 374 O LEU A 4 86.839 2.862 -3.838 1.00 0.00 O ATOM 375 CB LEU A 4 88.432 2.292 -1.351 1.00 0.00 C ATOM 376 CG LEU A 4 88.079 1.175 -0.360 1.00 0.00 C ATOM 377 CD1 LEU A 4 87.936 1.740 1.043 1.00 0.00 C ATOM 378 CD2 LEU A 4 86.802 0.460 -0.763 1.00 0.00 C ATOM 0 H LEU A 4 89.534 3.745 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 4 89.161 0.842 -2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 4 89.297 2.832 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 4 87.603 2.999 -1.381 1.00 0.00 H new ATOM 0 HG LEU A 4 88.893 0.450 -0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 4 87.685 0.936 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 4 88.876 2.201 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 4 87.144 2.489 1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 4 86.581 -0.325 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 4 85.978 1.173 -0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 4 86.929 0.018 -1.751 1.00 0.00 H new ATOM 390 N THR A 5 87.103 0.649 -4.128 1.00 0.00 N ATOM 391 CA THR A 5 85.949 0.522 -5.006 1.00 0.00 C ATOM 392 C THR A 5 84.649 0.821 -4.259 1.00 0.00 C ATOM 393 O THR A 5 84.479 0.417 -3.107 1.00 0.00 O ATOM 394 CB THR A 5 85.871 -0.886 -5.633 1.00 0.00 C ATOM 395 OG1 THR A 5 85.788 -1.880 -4.606 1.00 0.00 O ATOM 396 CG2 THR A 5 87.085 -1.154 -6.513 1.00 0.00 C ATOM 0 H THR A 5 87.588 -0.228 -3.938 1.00 0.00 H new ATOM 0 HA THR A 5 86.075 1.254 -5.803 1.00 0.00 H new ATOM 0 HB THR A 5 84.975 -0.934 -6.252 1.00 0.00 H new ATOM 0 HG1 THR A 5 85.616 -2.756 -5.011 1.00 0.00 H new ATOM 0 HG21 THR A 5 87.009 -2.152 -6.944 1.00 0.00 H new ATOM 0 HG22 THR A 5 87.125 -0.415 -7.313 1.00 0.00 H new ATOM 0 HG23 THR A 5 87.992 -1.087 -5.912 1.00 0.00 H new ATOM 404 N PRO A 6 83.717 1.541 -4.908 1.00 0.00 N ATOM 405 CA PRO A 6 82.422 1.901 -4.310 1.00 0.00 C ATOM 406 C PRO A 6 81.668 0.687 -3.770 1.00 0.00 C ATOM 407 O PRO A 6 80.999 0.764 -2.735 1.00 0.00 O ATOM 408 CB PRO A 6 81.655 2.526 -5.477 1.00 0.00 C ATOM 409 CG PRO A 6 82.711 3.042 -6.390 1.00 0.00 C ATOM 410 CD PRO A 6 83.859 2.080 -6.274 1.00 0.00 C ATOM 0 HA PRO A 6 82.542 2.564 -3.453 1.00 0.00 H new ATOM 0 HB2 PRO A 6 81.025 1.790 -5.976 1.00 0.00 H new ATOM 0 HB3 PRO A 6 81.000 3.328 -5.136 1.00 0.00 H new ATOM 0 HG2 PRO A 6 82.348 3.096 -7.416 1.00 0.00 H new ATOM 0 HG3 PRO A 6 83.015 4.050 -6.106 1.00 0.00 H new ATOM 0 HD2 PRO A 6 83.800 1.292 -7.025 1.00 0.00 H new ATOM 0 HD3 PRO A 6 84.818 2.580 -6.411 1.00 0.00 H new ATOM 418 N ALA A 7 81.793 -0.433 -4.468 1.00 0.00 N ATOM 419 CA ALA A 7 81.141 -1.670 -4.063 1.00 0.00 C ATOM 420 C ALA A 7 81.687 -2.166 -2.727 1.00 0.00 C ATOM 421 O ALA A 7 80.926 -2.531 -1.830 1.00 0.00 O ATOM 422 CB ALA A 7 81.314 -2.730 -5.140 1.00 0.00 C ATOM 0 H ALA A 7 82.344 -0.510 -5.323 1.00 0.00 H new ATOM 0 HA ALA A 7 80.077 -1.471 -3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 7 80.822 -3.651 -4.826 1.00 0.00 H new ATOM 0 HB2 ALA A 7 80.868 -2.379 -6.071 1.00 0.00 H new ATOM 0 HB3 ALA A 7 82.376 -2.920 -5.296 1.00 0.00 H new ATOM 428 N ALA A 8 83.009 -2.158 -2.591 1.00 0.00 N ATOM 429 CA ALA A 8 83.648 -2.595 -1.356 1.00 0.00 C ATOM 430 C ALA A 8 83.435 -1.568 -0.254 1.00 0.00 C ATOM 431 O ALA A 8 83.277 -1.918 0.916 1.00 0.00 O ATOM 432 CB ALA A 8 85.133 -2.839 -1.580 1.00 0.00 C ATOM 0 H ALA A 8 83.657 -1.855 -3.318 1.00 0.00 H new ATOM 0 HA ALA A 8 83.190 -3.534 -1.045 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.593 -3.165 -0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.265 -3.611 -2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 8 85.607 -1.916 -1.916 1.00 0.00 H new ATOM 438 N ALA A 9 83.416 -0.298 -0.643 1.00 0.00 N ATOM 439 CA ALA A 9 83.206 0.796 0.294 1.00 0.00 C ATOM 440 C ALA A 9 81.865 0.662 1.005 1.00 0.00 C ATOM 441 O ALA A 9 81.733 1.033 2.171 1.00 0.00 O ATOM 442 CB ALA A 9 83.290 2.131 -0.429 1.00 0.00 C ATOM 0 H ALA A 9 83.545 -0.001 -1.610 1.00 0.00 H new ATOM 0 HA ALA A 9 83.992 0.752 1.048 1.00 0.00 H new ATOM 0 HB1 ALA A 9 83.131 2.941 0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 9 84.274 2.237 -0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 9 82.525 2.174 -1.204 1.00 0.00 H new ATOM 448 N GLU A 10 80.877 0.119 0.305 1.00 0.00 N ATOM 449 CA GLU A 10 79.556 -0.074 0.885 1.00 0.00 C ATOM 450 C GLU A 10 79.598 -1.155 1.962 1.00 0.00 C ATOM 451 O GLU A 10 78.887 -1.076 2.962 1.00 0.00 O ATOM 452 CB GLU A 10 78.539 -0.444 -0.195 1.00 0.00 C ATOM 453 CG GLU A 10 77.105 -0.471 0.310 1.00 0.00 C ATOM 454 CD GLU A 10 76.117 -0.874 -0.762 1.00 0.00 C ATOM 455 OE1 GLU A 10 75.843 -0.051 -1.660 1.00 0.00 O ATOM 456 OE2 GLU A 10 75.613 -2.016 -0.713 1.00 0.00 O ATOM 0 H GLU A 10 80.966 -0.194 -0.662 1.00 0.00 H new ATOM 0 HA GLU A 10 79.246 0.865 1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 10 78.614 0.271 -1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 10 78.792 -1.423 -0.602 1.00 0.00 H new ATOM 0 HG2 GLU A 10 77.031 -1.166 1.146 1.00 0.00 H new ATOM 0 HG3 GLU A 10 76.840 0.515 0.691 1.00 0.00 H new ATOM 463 N GLN A 11 80.447 -2.156 1.761 1.00 0.00 N ATOM 464 CA GLN A 11 80.591 -3.233 2.732 1.00 0.00 C ATOM 465 C GLN A 11 81.344 -2.727 3.960 1.00 0.00 C ATOM 466 O GLN A 11 81.023 -3.086 5.095 1.00 0.00 O ATOM 467 CB GLN A 11 81.317 -4.427 2.107 1.00 0.00 C ATOM 468 CG GLN A 11 81.301 -5.674 2.978 1.00 0.00 C ATOM 469 CD GLN A 11 81.956 -6.865 2.306 1.00 0.00 C ATOM 470 OE1 GLN A 11 81.947 -6.990 1.084 1.00 0.00 O ATOM 471 NE2 GLN A 11 82.518 -7.760 3.105 1.00 0.00 N ATOM 0 H GLN A 11 81.043 -2.244 0.938 1.00 0.00 H new ATOM 0 HA GLN A 11 79.600 -3.565 3.041 1.00 0.00 H new ATOM 0 HB2 GLN A 11 80.857 -4.659 1.147 1.00 0.00 H new ATOM 0 HB3 GLN A 11 82.351 -4.148 1.906 1.00 0.00 H new ATOM 0 HG2 GLN A 11 81.814 -5.464 3.916 1.00 0.00 H new ATOM 0 HG3 GLN A 11 80.270 -5.925 3.228 1.00 0.00 H new ATOM 0 HE21 GLN A 11 82.505 -7.621 4.115 1.00 0.00 H new ATOM 0 HE22 GLN A 11 82.964 -8.588 2.710 1.00 0.00 H new ATOM 480 N VAL A 12 82.339 -1.878 3.725 1.00 0.00 N ATOM 481 CA VAL A 12 83.061 -1.228 4.813 1.00 0.00 C ATOM 482 C VAL A 12 82.116 -0.317 5.593 1.00 0.00 C ATOM 483 O VAL A 12 82.112 -0.309 6.824 1.00 0.00 O ATOM 484 CB VAL A 12 84.257 -0.401 4.290 1.00 0.00 C ATOM 485 CG1 VAL A 12 85.009 0.253 5.440 1.00 0.00 C ATOM 486 CG2 VAL A 12 85.196 -1.273 3.470 1.00 0.00 C ATOM 0 H VAL A 12 82.664 -1.624 2.792 1.00 0.00 H new ATOM 0 HA VAL A 12 83.448 -2.010 5.466 1.00 0.00 H new ATOM 0 HB VAL A 12 83.866 0.386 3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 12 85.846 0.829 5.046 1.00 0.00 H new ATOM 0 HG12 VAL A 12 84.336 0.916 5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 12 85.384 -0.517 6.114 1.00 0.00 H new ATOM 0 HG21 VAL A 12 86.031 -0.671 3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 12 85.574 -2.085 4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 12 84.656 -1.689 2.619 1.00 0.00 H new ATOM 496 N LEU A 13 81.299 0.432 4.860 1.00 0.00 N ATOM 497 CA LEU A 13 80.301 1.306 5.466 1.00 0.00 C ATOM 498 C LEU A 13 79.286 0.485 6.255 1.00 0.00 C ATOM 499 O LEU A 13 78.792 0.924 7.288 1.00 0.00 O ATOM 500 CB LEU A 13 79.591 2.127 4.385 1.00 0.00 C ATOM 501 CG LEU A 13 78.562 3.137 4.897 1.00 0.00 C ATOM 502 CD1 LEU A 13 79.235 4.203 5.748 1.00 0.00 C ATOM 503 CD2 LEU A 13 77.819 3.774 3.731 1.00 0.00 C ATOM 0 H LEU A 13 81.309 0.451 3.840 1.00 0.00 H new ATOM 0 HA LEU A 13 80.805 1.988 6.151 1.00 0.00 H new ATOM 0 HB2 LEU A 13 80.344 2.663 3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 13 79.092 1.441 3.701 1.00 0.00 H new ATOM 0 HG LEU A 13 77.840 2.608 5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 13 78.487 4.912 6.103 1.00 0.00 H new ATOM 0 HD12 LEU A 13 79.723 3.733 6.602 1.00 0.00 H new ATOM 0 HD13 LEU A 13 79.979 4.730 5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 13 77.091 4.490 4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 13 78.530 4.288 3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 13 77.304 3.000 3.161 1.00 0.00 H new ATOM 515 N LYS A 14 78.990 -0.712 5.757 1.00 0.00 N ATOM 516 CA LYS A 14 78.069 -1.631 6.421 1.00 0.00 C ATOM 517 C LYS A 14 78.573 -1.978 7.822 1.00 0.00 C ATOM 518 O LYS A 14 77.796 -2.030 8.777 1.00 0.00 O ATOM 519 CB LYS A 14 77.920 -2.906 5.582 1.00 0.00 C ATOM 520 CG LYS A 14 76.862 -3.873 6.088 1.00 0.00 C ATOM 521 CD LYS A 14 76.870 -5.159 5.274 1.00 0.00 C ATOM 522 CE LYS A 14 75.731 -6.086 5.669 1.00 0.00 C ATOM 523 NZ LYS A 14 74.403 -5.514 5.330 1.00 0.00 N ATOM 0 H LYS A 14 79.379 -1.072 4.886 1.00 0.00 H new ATOM 0 HA LYS A 14 77.097 -1.147 6.517 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.677 -2.625 4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.880 -3.421 5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 14 77.044 -4.101 7.138 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.879 -3.406 6.029 1.00 0.00 H new ATOM 0 HD2 LYS A 14 76.791 -4.918 4.214 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.821 -5.672 5.415 1.00 0.00 H new ATOM 0 HE2 LYS A 14 75.852 -7.044 5.164 1.00 0.00 H new ATOM 0 HE3 LYS A 14 75.778 -6.282 6.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 73.679 -6.258 5.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 74.173 -4.750 5.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 74.426 -5.133 4.363 1.00 0.00 H new ATOM 537 N ALA A 15 79.879 -2.195 7.938 1.00 0.00 N ATOM 538 CA ALA A 15 80.497 -2.513 9.221 1.00 0.00 C ATOM 539 C ALA A 15 80.356 -1.353 10.207 1.00 0.00 C ATOM 540 O ALA A 15 80.211 -1.560 11.411 1.00 0.00 O ATOM 541 CB ALA A 15 81.962 -2.874 9.029 1.00 0.00 C ATOM 0 H ALA A 15 80.532 -2.156 7.156 1.00 0.00 H new ATOM 0 HA ALA A 15 79.976 -3.374 9.641 1.00 0.00 H new ATOM 0 HB1 ALA A 15 82.409 -3.109 9.995 1.00 0.00 H new ATOM 0 HB2 ALA A 15 82.040 -3.741 8.373 1.00 0.00 H new ATOM 0 HB3 ALA A 15 82.489 -2.031 8.581 1.00 0.00 H new ATOM 547 N ALA A 16 80.396 -0.131 9.691 1.00 0.00 N ATOM 548 CA ALA A 16 80.192 1.051 10.518 1.00 0.00 C ATOM 549 C ALA A 16 78.706 1.242 10.803 1.00 0.00 C ATOM 550 O ALA A 16 78.314 1.705 11.874 1.00 0.00 O ATOM 551 CB ALA A 16 80.770 2.284 9.840 1.00 0.00 C ATOM 0 H ALA A 16 80.568 0.067 8.705 1.00 0.00 H new ATOM 0 HA ALA A 16 80.713 0.908 11.465 1.00 0.00 H new ATOM 0 HB1 ALA A 16 80.608 3.157 10.473 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.839 2.144 9.681 1.00 0.00 H new ATOM 0 HB3 ALA A 16 80.277 2.436 8.880 1.00 0.00 H new ATOM 557 N LYS A 17 77.890 0.855 9.830 1.00 0.00 N ATOM 558 CA LYS A 17 76.438 0.951 9.926 1.00 0.00 C ATOM 559 C LYS A 17 75.901 0.010 11.005 1.00 0.00 C ATOM 560 O LYS A 17 74.781 0.178 11.493 1.00 0.00 O ATOM 561 CB LYS A 17 75.824 0.628 8.558 1.00 0.00 C ATOM 562 CG LYS A 17 74.307 0.615 8.525 1.00 0.00 C ATOM 563 CD LYS A 17 73.796 0.388 7.112 1.00 0.00 C ATOM 564 CE LYS A 17 72.303 0.115 7.090 1.00 0.00 C ATOM 565 NZ LYS A 17 71.517 1.211 7.714 1.00 0.00 N ATOM 0 H LYS A 17 78.219 0.464 8.947 1.00 0.00 H new ATOM 0 HA LYS A 17 76.160 1.965 10.213 1.00 0.00 H new ATOM 0 HB2 LYS A 17 76.182 1.359 7.834 1.00 0.00 H new ATOM 0 HB3 LYS A 17 76.188 -0.347 8.234 1.00 0.00 H new ATOM 0 HG2 LYS A 17 73.932 -0.170 9.182 1.00 0.00 H new ATOM 0 HG3 LYS A 17 73.923 1.561 8.907 1.00 0.00 H new ATOM 0 HD2 LYS A 17 74.014 1.264 6.501 1.00 0.00 H new ATOM 0 HD3 LYS A 17 74.326 -0.453 6.664 1.00 0.00 H new ATOM 0 HE2 LYS A 17 71.977 -0.021 6.059 1.00 0.00 H new ATOM 0 HE3 LYS A 17 72.099 -0.819 7.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 70.504 1.054 7.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 71.695 1.226 8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 71.802 2.122 7.300 1.00 0.00 H new ATOM 579 N GLN A 18 76.705 -0.981 11.379 1.00 0.00 N ATOM 580 CA GLN A 18 76.354 -1.879 12.474 1.00 0.00 C ATOM 581 C GLN A 18 76.257 -1.116 13.796 1.00 0.00 C ATOM 582 O GLN A 18 75.608 -1.570 14.739 1.00 0.00 O ATOM 583 CB GLN A 18 77.370 -3.017 12.591 1.00 0.00 C ATOM 584 CG GLN A 18 77.411 -3.914 11.366 1.00 0.00 C ATOM 585 CD GLN A 18 78.291 -5.135 11.552 1.00 0.00 C ATOM 586 OE1 GLN A 18 79.276 -5.108 12.291 1.00 0.00 O ATOM 587 NE2 GLN A 18 77.928 -6.222 10.890 1.00 0.00 N ATOM 0 H GLN A 18 77.603 -1.182 10.940 1.00 0.00 H new ATOM 0 HA GLN A 18 75.377 -2.309 12.253 1.00 0.00 H new ATOM 0 HB2 GLN A 18 78.361 -2.594 12.757 1.00 0.00 H new ATOM 0 HB3 GLN A 18 77.130 -3.620 13.467 1.00 0.00 H new ATOM 0 HG2 GLN A 18 76.398 -4.237 11.125 1.00 0.00 H new ATOM 0 HG3 GLN A 18 77.773 -3.339 10.514 1.00 0.00 H new ATOM 0 HE21 GLN A 18 77.105 -6.201 10.288 1.00 0.00 H new ATOM 0 HE22 GLN A 18 78.471 -7.080 10.982 1.00 0.00 H new ATOM 596 N GLY A 19 76.898 0.047 13.855 1.00 0.00 N ATOM 597 CA GLY A 19 76.800 0.893 15.026 1.00 0.00 C ATOM 598 C GLY A 19 78.050 0.864 15.876 1.00 0.00 C ATOM 599 O GLY A 19 78.751 -0.150 15.937 1.00 0.00 O ATOM 0 H GLY A 19 77.485 0.418 13.108 1.00 0.00 H new ATOM 0 HA2 GLY A 19 76.603 1.918 14.712 1.00 0.00 H new ATOM 0 HA3 GLY A 19 75.949 0.575 15.628 1.00 0.00 H new ATOM 603 N GLY A 20 78.347 1.986 16.518 1.00 0.00 N ATOM 604 CA GLY A 20 79.480 2.049 17.421 1.00 0.00 C ATOM 605 C GLY A 20 80.740 2.544 16.743 1.00 0.00 C ATOM 606 O GLY A 20 81.400 3.456 17.237 1.00 0.00 O ATOM 0 H GLY A 20 77.822 2.856 16.429 1.00 0.00 H new ATOM 0 HA2 GLY A 20 79.238 2.708 18.255 1.00 0.00 H new ATOM 0 HA3 GLY A 20 79.662 1.059 17.839 1.00 0.00 H new ATOM 610 N THR A 21 81.063 1.954 15.602 1.00 0.00 N ATOM 611 CA THR A 21 82.277 2.294 14.876 1.00 0.00 C ATOM 612 C THR A 21 82.143 3.625 14.135 1.00 0.00 C ATOM 613 O THR A 21 83.128 4.167 13.635 1.00 0.00 O ATOM 614 CB THR A 21 82.634 1.178 13.883 1.00 0.00 C ATOM 615 OG1 THR A 21 81.435 0.690 13.268 1.00 0.00 O ATOM 616 CG2 THR A 21 83.354 0.037 14.586 1.00 0.00 C ATOM 0 H THR A 21 80.496 1.232 15.156 1.00 0.00 H new ATOM 0 HA THR A 21 83.077 2.398 15.609 1.00 0.00 H new ATOM 0 HB THR A 21 83.301 1.585 13.123 1.00 0.00 H new ATOM 0 HG1 THR A 21 81.620 -0.163 12.823 1.00 0.00 H new ATOM 0 HG21 THR A 21 83.596 -0.741 13.862 1.00 0.00 H new ATOM 0 HG22 THR A 21 84.273 0.410 15.039 1.00 0.00 H new ATOM 0 HG23 THR A 21 82.710 -0.377 15.362 1.00 0.00 H new ATOM 624 N GLU A 22 80.921 4.143 14.068 1.00 0.00 N ATOM 625 CA GLU A 22 80.673 5.445 13.460 1.00 0.00 C ATOM 626 C GLU A 22 81.465 6.525 14.184 1.00 0.00 C ATOM 627 O GLU A 22 81.488 6.569 15.414 1.00 0.00 O ATOM 628 CB GLU A 22 79.184 5.778 13.501 1.00 0.00 C ATOM 629 CG GLU A 22 78.323 4.814 12.709 1.00 0.00 C ATOM 630 CD GLU A 22 76.850 5.136 12.820 1.00 0.00 C ATOM 631 OE1 GLU A 22 76.201 4.630 13.755 1.00 0.00 O ATOM 632 OE2 GLU A 22 76.339 5.903 11.977 1.00 0.00 O ATOM 0 H GLU A 22 80.086 3.680 14.428 1.00 0.00 H new ATOM 0 HA GLU A 22 80.996 5.406 12.420 1.00 0.00 H new ATOM 0 HB2 GLU A 22 78.850 5.782 14.539 1.00 0.00 H new ATOM 0 HB3 GLU A 22 79.035 6.786 13.114 1.00 0.00 H new ATOM 0 HG2 GLU A 22 78.621 4.842 11.661 1.00 0.00 H new ATOM 0 HG3 GLU A 22 78.498 3.798 13.064 1.00 0.00 H new ATOM 639 N GLY A 23 82.123 7.379 13.420 1.00 0.00 N ATOM 640 CA GLY A 23 82.950 8.414 14.007 1.00 0.00 C ATOM 641 C GLY A 23 84.400 7.993 14.077 1.00 0.00 C ATOM 642 O GLY A 23 85.300 8.831 14.121 1.00 0.00 O ATOM 0 H GLY A 23 82.100 7.376 12.400 1.00 0.00 H new ATOM 0 HA2 GLY A 23 82.864 9.327 13.418 1.00 0.00 H new ATOM 0 HA3 GLY A 23 82.589 8.645 15.009 1.00 0.00 H new ATOM 646 N MET A 24 84.621 6.688 14.084 1.00 0.00 N ATOM 647 CA MET A 24 85.965 6.137 14.084 1.00 0.00 C ATOM 648 C MET A 24 86.367 5.790 12.660 1.00 0.00 C ATOM 649 O MET A 24 85.944 4.771 12.118 1.00 0.00 O ATOM 650 CB MET A 24 86.034 4.896 14.973 1.00 0.00 C ATOM 651 CG MET A 24 85.694 5.171 16.429 1.00 0.00 C ATOM 652 SD MET A 24 85.666 3.675 17.438 1.00 0.00 S ATOM 653 CE MET A 24 87.355 3.105 17.251 1.00 0.00 C ATOM 0 H MET A 24 83.880 5.987 14.090 1.00 0.00 H new ATOM 0 HA MET A 24 86.656 6.879 14.483 1.00 0.00 H new ATOM 0 HB2 MET A 24 85.349 4.142 14.585 1.00 0.00 H new ATOM 0 HB3 MET A 24 87.037 4.474 14.916 1.00 0.00 H new ATOM 0 HG2 MET A 24 86.423 5.868 16.842 1.00 0.00 H new ATOM 0 HG3 MET A 24 84.721 5.658 16.484 1.00 0.00 H new ATOM 0 HE1 MET A 24 87.589 2.394 18.044 1.00 0.00 H new ATOM 0 HE2 MET A 24 87.470 2.619 16.282 1.00 0.00 H new ATOM 0 HE3 MET A 24 88.035 3.955 17.313 1.00 0.00 H new ATOM 663 N CYS A 25 87.158 6.660 12.050 1.00 0.00 N ATOM 664 CA CYS A 25 87.546 6.498 10.658 1.00 0.00 C ATOM 665 C CYS A 25 88.431 5.270 10.465 1.00 0.00 C ATOM 666 O CYS A 25 89.054 4.777 11.409 1.00 0.00 O ATOM 667 CB CYS A 25 88.248 7.763 10.165 1.00 0.00 C ATOM 668 SG CYS A 25 87.243 9.251 10.366 1.00 0.00 S ATOM 0 H CYS A 25 87.545 7.489 12.500 1.00 0.00 H new ATOM 0 HA CYS A 25 86.645 6.341 10.065 1.00 0.00 H new ATOM 0 HB2 CYS A 25 89.185 7.888 10.708 1.00 0.00 H new ATOM 0 HB3 CYS A 25 88.504 7.643 9.112 1.00 0.00 H new ATOM 0 HG CYS A 25 87.788 10.234 9.713 1.00 0.00 H new ATOM 674 N LEU A 26 88.477 4.783 9.237 1.00 0.00 N ATOM 675 CA LEU A 26 89.164 3.540 8.931 1.00 0.00 C ATOM 676 C LEU A 26 90.669 3.759 8.842 1.00 0.00 C ATOM 677 O LEU A 26 91.149 4.438 7.933 1.00 0.00 O ATOM 678 CB LEU A 26 88.641 2.978 7.609 1.00 0.00 C ATOM 679 CG LEU A 26 88.997 1.519 7.335 1.00 0.00 C ATOM 680 CD1 LEU A 26 88.249 0.610 8.295 1.00 0.00 C ATOM 681 CD2 LEU A 26 88.680 1.155 5.894 1.00 0.00 C ATOM 0 H LEU A 26 88.044 5.233 8.431 1.00 0.00 H new ATOM 0 HA LEU A 26 88.969 2.829 9.734 1.00 0.00 H new ATOM 0 HB2 LEU A 26 87.556 3.079 7.594 1.00 0.00 H new ATOM 0 HB3 LEU A 26 89.029 3.589 6.794 1.00 0.00 H new ATOM 0 HG LEU A 26 90.067 1.384 7.492 1.00 0.00 H new ATOM 0 HD11 LEU A 26 88.510 -0.428 8.091 1.00 0.00 H new ATOM 0 HD12 LEU A 26 88.524 0.859 9.320 1.00 0.00 H new ATOM 0 HD13 LEU A 26 87.176 0.747 8.164 1.00 0.00 H new ATOM 0 HD21 LEU A 26 88.940 0.111 5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 26 87.616 1.300 5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 26 89.256 1.792 5.223 1.00 0.00 H new ATOM 693 N ARG A 27 91.413 3.194 9.783 1.00 0.00 N ATOM 694 CA ARG A 27 92.862 3.288 9.748 1.00 0.00 C ATOM 695 C ARG A 27 93.442 2.002 9.179 1.00 0.00 C ATOM 696 O ARG A 27 93.060 0.899 9.583 1.00 0.00 O ATOM 697 CB ARG A 27 93.455 3.548 11.139 1.00 0.00 C ATOM 698 CG ARG A 27 94.909 4.006 11.086 1.00 0.00 C ATOM 699 CD ARG A 27 95.615 3.896 12.431 1.00 0.00 C ATOM 700 NE ARG A 27 94.960 4.661 13.491 1.00 0.00 N ATOM 701 CZ ARG A 27 95.435 5.800 14.002 1.00 0.00 C ATOM 702 NH1 ARG A 27 96.483 6.402 13.453 1.00 0.00 N ATOM 703 NH2 ARG A 27 94.840 6.342 15.056 1.00 0.00 N ATOM 0 H ARG A 27 91.039 2.670 10.574 1.00 0.00 H new ATOM 0 HA ARG A 27 93.124 4.134 9.112 1.00 0.00 H new ATOM 0 HB2 ARG A 27 92.859 4.306 11.647 1.00 0.00 H new ATOM 0 HB3 ARG A 27 93.387 2.637 11.734 1.00 0.00 H new ATOM 0 HG2 ARG A 27 95.446 3.408 10.350 1.00 0.00 H new ATOM 0 HG3 ARG A 27 94.946 5.041 10.745 1.00 0.00 H new ATOM 0 HD2 ARG A 27 95.662 2.847 12.725 1.00 0.00 H new ATOM 0 HD3 ARG A 27 96.643 4.243 12.324 1.00 0.00 H new ATOM 0 HE ARG A 27 94.082 4.301 13.865 1.00 0.00 H new ATOM 0 HH11 ARG A 27 96.933 5.995 12.633 1.00 0.00 H new ATOM 0 HH12 ARG A 27 96.838 7.272 13.851 1.00 0.00 H new ATOM 0 HH21 ARG A 27 94.026 5.889 15.471 1.00 0.00 H new ATOM 0 HH22 ARG A 27 95.197 7.212 15.452 1.00 0.00 H new ATOM 717 N LEU A 28 94.349 2.144 8.233 1.00 0.00 N ATOM 718 CA LEU A 28 95.008 0.996 7.638 1.00 0.00 C ATOM 719 C LEU A 28 96.382 0.801 8.263 1.00 0.00 C ATOM 720 O LEU A 28 97.212 1.711 8.254 1.00 0.00 O ATOM 721 CB LEU A 28 95.135 1.179 6.128 1.00 0.00 C ATOM 722 CG LEU A 28 93.814 1.345 5.377 1.00 0.00 C ATOM 723 CD1 LEU A 28 94.071 1.545 3.895 1.00 0.00 C ATOM 724 CD2 LEU A 28 92.913 0.140 5.603 1.00 0.00 C ATOM 0 H LEU A 28 94.648 3.045 7.858 1.00 0.00 H new ATOM 0 HA LEU A 28 94.405 0.108 7.829 1.00 0.00 H new ATOM 0 HB2 LEU A 28 95.756 2.054 5.936 1.00 0.00 H new ATOM 0 HB3 LEU A 28 95.662 0.318 5.717 1.00 0.00 H new ATOM 0 HG LEU A 28 93.307 2.229 5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 28 93.121 1.662 3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 28 94.678 2.439 3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 28 94.599 0.679 3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 28 91.978 0.278 5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 28 93.412 -0.760 5.244 1.00 0.00 H new ATOM 0 HD23 LEU A 28 92.703 0.038 6.668 1.00 0.00 H new ATOM 736 N ALA A 29 96.612 -0.378 8.814 1.00 0.00 N ATOM 737 CA ALA A 29 97.877 -0.684 9.454 1.00 0.00 C ATOM 738 C ALA A 29 98.635 -1.735 8.660 1.00 0.00 C ATOM 739 O ALA A 29 98.158 -2.856 8.483 1.00 0.00 O ATOM 740 CB ALA A 29 97.649 -1.154 10.882 1.00 0.00 C ATOM 0 H ALA A 29 95.935 -1.141 8.830 1.00 0.00 H new ATOM 0 HA ALA A 29 98.479 0.224 9.482 1.00 0.00 H new ATOM 0 HB1 ALA A 29 98.608 -1.380 11.348 1.00 0.00 H new ATOM 0 HB2 ALA A 29 97.146 -0.369 11.447 1.00 0.00 H new ATOM 0 HB3 ALA A 29 97.029 -2.050 10.875 1.00 0.00 H new ATOM 746 N ALA A 30 99.805 -1.360 8.171 1.00 0.00 N ATOM 747 CA ALA A 30 100.638 -2.267 7.405 1.00 0.00 C ATOM 748 C ALA A 30 101.683 -2.912 8.304 1.00 0.00 C ATOM 749 O ALA A 30 102.678 -2.280 8.669 1.00 0.00 O ATOM 750 CB ALA A 30 101.304 -1.531 6.249 1.00 0.00 C ATOM 0 H ALA A 30 100.200 -0.427 8.293 1.00 0.00 H new ATOM 0 HA ALA A 30 100.007 -3.054 6.991 1.00 0.00 H new ATOM 0 HB1 ALA A 30 101.925 -2.226 5.685 1.00 0.00 H new ATOM 0 HB2 ALA A 30 100.539 -1.114 5.594 1.00 0.00 H new ATOM 0 HB3 ALA A 30 101.925 -0.725 6.640 1.00 0.00 H new ATOM 756 N GLY A 31 101.433 -4.157 8.679 1.00 0.00 N ATOM 757 CA GLY A 31 102.355 -4.878 9.531 1.00 0.00 C ATOM 758 C GLY A 31 103.570 -5.355 8.768 1.00 0.00 C ATOM 759 O GLY A 31 103.461 -6.190 7.870 1.00 0.00 O ATOM 0 H GLY A 31 100.603 -4.684 8.407 1.00 0.00 H new ATOM 0 HA2 GLY A 31 102.671 -4.234 10.351 1.00 0.00 H new ATOM 0 HA3 GLY A 31 101.846 -5.733 9.975 1.00 0.00 H new ATOM 763 N ARG A 32 104.726 -4.814 9.113 1.00 0.00 N ATOM 764 CA ARG A 32 105.967 -5.180 8.450 1.00 0.00 C ATOM 765 C ARG A 32 106.529 -6.478 9.008 1.00 0.00 C ATOM 766 O ARG A 32 106.867 -6.560 10.191 1.00 0.00 O ATOM 767 CB ARG A 32 107.002 -4.066 8.601 1.00 0.00 C ATOM 768 CG ARG A 32 106.800 -2.904 7.646 1.00 0.00 C ATOM 769 CD ARG A 32 107.771 -1.775 7.943 1.00 0.00 C ATOM 770 NE ARG A 32 107.866 -0.821 6.840 1.00 0.00 N ATOM 771 CZ ARG A 32 107.597 0.477 6.948 1.00 0.00 C ATOM 772 NH1 ARG A 32 107.143 0.973 8.095 1.00 0.00 N ATOM 773 NH2 ARG A 32 107.770 1.269 5.899 1.00 0.00 N ATOM 0 H ARG A 32 104.832 -4.118 9.851 1.00 0.00 H new ATOM 0 HA ARG A 32 105.745 -5.326 7.393 1.00 0.00 H new ATOM 0 HB2 ARG A 32 106.972 -3.692 9.624 1.00 0.00 H new ATOM 0 HB3 ARG A 32 107.996 -4.484 8.444 1.00 0.00 H new ATOM 0 HG2 ARG A 32 106.937 -3.245 6.620 1.00 0.00 H new ATOM 0 HG3 ARG A 32 105.777 -2.538 7.726 1.00 0.00 H new ATOM 0 HD2 ARG A 32 107.453 -1.253 8.846 1.00 0.00 H new ATOM 0 HD3 ARG A 32 108.758 -2.191 8.146 1.00 0.00 H new ATOM 0 HE ARG A 32 108.157 -1.173 5.928 1.00 0.00 H new ATOM 0 HH11 ARG A 32 107.000 0.358 8.896 1.00 0.00 H new ATOM 0 HH12 ARG A 32 106.938 1.969 8.174 1.00 0.00 H new ATOM 0 HH21 ARG A 32 108.107 0.882 5.018 1.00 0.00 H new ATOM 0 HH22 ARG A 32 107.566 2.266 5.973 1.00 0.00 H new ATOM 787 N ASN A 33 106.598 -7.496 8.165 1.00 0.00 N ATOM 788 CA ASN A 33 107.292 -8.726 8.520 1.00 0.00 C ATOM 789 C ASN A 33 108.709 -8.676 7.961 1.00 0.00 C ATOM 790 O ASN A 33 108.973 -7.899 7.043 1.00 0.00 O ATOM 791 CB ASN A 33 106.535 -9.949 7.990 1.00 0.00 C ATOM 792 CG ASN A 33 105.225 -10.176 8.720 1.00 0.00 C ATOM 793 OD1 ASN A 33 105.098 -9.852 9.901 1.00 0.00 O ATOM 794 ND2 ASN A 33 104.246 -10.740 8.029 1.00 0.00 N ATOM 0 H ASN A 33 106.184 -7.496 7.233 1.00 0.00 H new ATOM 0 HA ASN A 33 107.338 -8.816 9.605 1.00 0.00 H new ATOM 0 HB2 ASN A 33 106.338 -9.818 6.926 1.00 0.00 H new ATOM 0 HB3 ASN A 33 107.163 -10.834 8.091 1.00 0.00 H new ATOM 0 HD21 ASN A 33 103.346 -10.921 8.474 1.00 0.00 H new ATOM 0 HD22 ASN A 33 104.392 -10.994 7.052 1.00 0.00 H new ATOM 834 N SER A 37 106.608 -10.688 4.223 1.00 0.00 N ATOM 835 CA SER A 37 105.292 -10.239 3.814 1.00 0.00 C ATOM 836 C SER A 37 104.897 -8.951 4.532 1.00 0.00 C ATOM 837 O SER A 37 105.578 -8.502 5.456 1.00 0.00 O ATOM 838 CB SER A 37 104.261 -11.340 4.087 1.00 0.00 C ATOM 839 OG SER A 37 104.340 -11.795 5.430 1.00 0.00 O ATOM 0 HA SER A 37 105.319 -10.027 2.745 1.00 0.00 H new ATOM 0 HB2 SER A 37 103.259 -10.961 3.887 1.00 0.00 H new ATOM 0 HB3 SER A 37 104.428 -12.175 3.407 1.00 0.00 H new ATOM 0 HG SER A 37 105.280 -11.873 5.694 1.00 0.00 H new ATOM 845 N ILE A 38 103.804 -8.358 4.081 1.00 0.00 N ATOM 846 CA ILE A 38 103.238 -7.178 4.711 1.00 0.00 C ATOM 847 C ILE A 38 101.791 -7.468 5.083 1.00 0.00 C ATOM 848 O ILE A 38 101.013 -7.927 4.246 1.00 0.00 O ATOM 849 CB ILE A 38 103.287 -5.950 3.770 1.00 0.00 C ATOM 850 CG1 ILE A 38 104.723 -5.673 3.314 1.00 0.00 C ATOM 851 CG2 ILE A 38 102.705 -4.724 4.464 1.00 0.00 C ATOM 852 CD1 ILE A 38 104.837 -4.560 2.291 1.00 0.00 C ATOM 0 H ILE A 38 103.284 -8.682 3.266 1.00 0.00 H new ATOM 0 HA ILE A 38 103.827 -6.945 5.598 1.00 0.00 H new ATOM 0 HB ILE A 38 102.684 -6.171 2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 38 105.327 -5.417 4.184 1.00 0.00 H new ATOM 0 HG13 ILE A 38 105.143 -6.586 2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 38 102.747 -3.869 3.789 1.00 0.00 H new ATOM 0 HG22 ILE A 38 101.668 -4.919 4.738 1.00 0.00 H new ATOM 0 HG23 ILE A 38 103.283 -4.506 5.362 1.00 0.00 H new ATOM 0 HD11 ILE A 38 105.883 -4.423 2.017 1.00 0.00 H new ATOM 0 HD12 ILE A 38 104.261 -4.821 1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 38 104.449 -3.634 2.716 1.00 0.00 H new ATOM 864 N ASP A 39 101.430 -7.217 6.327 1.00 0.00 N ATOM 865 CA ASP A 39 100.071 -7.477 6.779 1.00 0.00 C ATOM 866 C ASP A 39 99.196 -6.254 6.576 1.00 0.00 C ATOM 867 O ASP A 39 99.334 -5.252 7.275 1.00 0.00 O ATOM 868 CB ASP A 39 100.049 -7.891 8.251 1.00 0.00 C ATOM 869 CG ASP A 39 98.637 -8.027 8.793 1.00 0.00 C ATOM 870 OD1 ASP A 39 97.811 -8.716 8.155 1.00 0.00 O ATOM 871 OD2 ASP A 39 98.343 -7.439 9.857 1.00 0.00 O ATOM 0 H ASP A 39 102.052 -6.836 7.040 1.00 0.00 H new ATOM 0 HA ASP A 39 99.676 -8.299 6.182 1.00 0.00 H new ATOM 0 HB2 ASP A 39 100.573 -8.840 8.367 1.00 0.00 H new ATOM 0 HB3 ASP A 39 100.592 -7.153 8.841 1.00 0.00 H new ATOM 876 N TYR A 40 98.311 -6.338 5.598 1.00 0.00 N ATOM 877 CA TYR A 40 97.386 -5.260 5.312 1.00 0.00 C ATOM 878 C TYR A 40 96.170 -5.387 6.222 1.00 0.00 C ATOM 879 O TYR A 40 95.265 -6.175 5.943 1.00 0.00 O ATOM 880 CB TYR A 40 96.938 -5.308 3.846 1.00 0.00 C ATOM 881 CG TYR A 40 98.061 -5.497 2.844 1.00 0.00 C ATOM 882 CD1 TYR A 40 98.766 -4.410 2.342 1.00 0.00 C ATOM 883 CD2 TYR A 40 98.399 -6.765 2.385 1.00 0.00 C ATOM 884 CE1 TYR A 40 99.778 -4.583 1.415 1.00 0.00 C ATOM 885 CE2 TYR A 40 99.407 -6.945 1.457 1.00 0.00 C ATOM 886 CZ TYR A 40 100.094 -5.853 0.974 1.00 0.00 C ATOM 887 OH TYR A 40 101.093 -6.030 0.043 1.00 0.00 O ATOM 0 H TYR A 40 98.215 -7.148 4.986 1.00 0.00 H new ATOM 0 HA TYR A 40 97.886 -4.308 5.491 1.00 0.00 H new ATOM 0 HB2 TYR A 40 96.222 -6.121 3.726 1.00 0.00 H new ATOM 0 HB3 TYR A 40 96.412 -4.383 3.611 1.00 0.00 H new ATOM 0 HD1 TYR A 40 98.520 -3.414 2.681 1.00 0.00 H new ATOM 0 HD2 TYR A 40 97.864 -7.625 2.760 1.00 0.00 H new ATOM 0 HE1 TYR A 40 100.319 -3.728 1.037 1.00 0.00 H new ATOM 0 HE2 TYR A 40 99.655 -7.938 1.112 1.00 0.00 H new ATOM 0 HH TYR A 40 101.188 -6.985 -0.157 1.00 0.00 H new ATOM 897 N ARG A 41 96.160 -4.650 7.323 1.00 0.00 N ATOM 898 CA ARG A 41 95.059 -4.744 8.269 1.00 0.00 C ATOM 899 C ARG A 41 94.153 -3.521 8.184 1.00 0.00 C ATOM 900 O ARG A 41 94.615 -2.378 8.237 1.00 0.00 O ATOM 901 CB ARG A 41 95.576 -4.912 9.699 1.00 0.00 C ATOM 902 CG ARG A 41 94.480 -5.256 10.699 1.00 0.00 C ATOM 903 CD ARG A 41 95.030 -5.395 12.108 1.00 0.00 C ATOM 904 NE ARG A 41 95.550 -4.128 12.613 1.00 0.00 N ATOM 905 CZ ARG A 41 96.566 -4.029 13.467 1.00 0.00 C ATOM 906 NH1 ARG A 41 97.192 -5.118 13.899 1.00 0.00 N ATOM 907 NH2 ARG A 41 96.966 -2.836 13.883 1.00 0.00 N ATOM 0 H ARG A 41 96.892 -3.988 7.581 1.00 0.00 H new ATOM 0 HA ARG A 41 94.476 -5.626 8.003 1.00 0.00 H new ATOM 0 HB2 ARG A 41 96.332 -5.697 9.715 1.00 0.00 H new ATOM 0 HB3 ARG A 41 96.067 -3.990 10.011 1.00 0.00 H new ATOM 0 HG2 ARG A 41 93.715 -4.480 10.682 1.00 0.00 H new ATOM 0 HG3 ARG A 41 93.997 -6.187 10.403 1.00 0.00 H new ATOM 0 HD2 ARG A 41 94.244 -5.756 12.771 1.00 0.00 H new ATOM 0 HD3 ARG A 41 95.823 -6.143 12.117 1.00 0.00 H new ATOM 0 HE ARG A 41 95.108 -3.267 12.292 1.00 0.00 H new ATOM 0 HH11 ARG A 41 96.895 -6.039 13.576 1.00 0.00 H new ATOM 0 HH12 ARG A 41 97.970 -5.033 14.553 1.00 0.00 H new ATOM 0 HH21 ARG A 41 96.495 -1.995 13.549 1.00 0.00 H new ATOM 0 HH22 ARG A 41 97.744 -2.759 14.537 1.00 0.00 H new ATOM 921 N MET A 42 92.863 -3.783 8.053 1.00 0.00 N ATOM 922 CA MET A 42 91.849 -2.739 7.981 1.00 0.00 C ATOM 923 C MET A 42 91.056 -2.688 9.287 1.00 0.00 C ATOM 924 O MET A 42 90.556 -3.715 9.743 1.00 0.00 O ATOM 925 CB MET A 42 90.906 -3.028 6.808 1.00 0.00 C ATOM 926 CG MET A 42 89.661 -2.161 6.793 1.00 0.00 C ATOM 927 SD MET A 42 88.391 -2.773 5.670 1.00 0.00 S ATOM 928 CE MET A 42 89.299 -2.823 4.132 1.00 0.00 C ATOM 0 H MET A 42 92.486 -4.729 7.993 1.00 0.00 H new ATOM 0 HA MET A 42 92.334 -1.775 7.828 1.00 0.00 H new ATOM 0 HB2 MET A 42 91.449 -2.884 5.874 1.00 0.00 H new ATOM 0 HB3 MET A 42 90.607 -4.076 6.844 1.00 0.00 H new ATOM 0 HG2 MET A 42 89.251 -2.106 7.801 1.00 0.00 H new ATOM 0 HG3 MET A 42 89.935 -1.146 6.505 1.00 0.00 H new ATOM 0 HE1 MET A 42 88.600 -2.885 3.298 1.00 0.00 H new ATOM 0 HE2 MET A 42 89.900 -1.919 4.035 1.00 0.00 H new ATOM 0 HE3 MET A 42 89.952 -3.696 4.123 1.00 0.00 H new ATOM 938 N GLY A 43 90.953 -1.511 9.896 1.00 0.00 N ATOM 939 CA GLY A 43 90.178 -1.393 11.118 1.00 0.00 C ATOM 940 C GLY A 43 89.772 0.032 11.427 1.00 0.00 C ATOM 941 O GLY A 43 90.536 0.966 11.191 1.00 0.00 O ATOM 0 H GLY A 43 91.386 -0.647 9.571 1.00 0.00 H new ATOM 0 HA2 GLY A 43 89.283 -2.010 11.035 1.00 0.00 H new ATOM 0 HA3 GLY A 43 90.761 -1.787 11.950 1.00 0.00 H new ATOM 945 N PHE A 44 88.558 0.203 11.938 1.00 0.00 N ATOM 946 CA PHE A 44 88.091 1.512 12.373 1.00 0.00 C ATOM 947 C PHE A 44 88.842 1.921 13.631 1.00 0.00 C ATOM 948 O PHE A 44 88.853 1.186 14.622 1.00 0.00 O ATOM 949 CB PHE A 44 86.585 1.486 12.640 1.00 0.00 C ATOM 950 CG PHE A 44 85.766 1.133 11.430 1.00 0.00 C ATOM 951 CD1 PHE A 44 85.423 2.101 10.501 1.00 0.00 C ATOM 952 CD2 PHE A 44 85.339 -0.170 11.224 1.00 0.00 C ATOM 953 CE1 PHE A 44 84.669 1.778 9.389 1.00 0.00 C ATOM 954 CE2 PHE A 44 84.584 -0.498 10.115 1.00 0.00 C ATOM 955 CZ PHE A 44 84.249 0.477 9.196 1.00 0.00 C ATOM 0 H PHE A 44 87.880 -0.549 12.061 1.00 0.00 H new ATOM 0 HA PHE A 44 88.282 2.239 11.583 1.00 0.00 H new ATOM 0 HB2 PHE A 44 86.377 0.766 13.432 1.00 0.00 H new ATOM 0 HB3 PHE A 44 86.273 2.463 13.008 1.00 0.00 H new ATOM 0 HD1 PHE A 44 85.749 3.120 10.647 1.00 0.00 H new ATOM 0 HD2 PHE A 44 85.600 -0.937 11.939 1.00 0.00 H new ATOM 0 HE1 PHE A 44 84.409 2.542 8.672 1.00 0.00 H new ATOM 0 HE2 PHE A 44 84.256 -1.516 9.967 1.00 0.00 H new ATOM 0 HZ PHE A 44 83.659 0.222 8.328 1.00 0.00 H new ATOM 965 N ASP A 45 89.468 3.084 13.593 1.00 0.00 N ATOM 966 CA ASP A 45 90.373 3.486 14.657 1.00 0.00 C ATOM 967 C ASP A 45 90.153 4.956 15.018 1.00 0.00 C ATOM 968 O ASP A 45 89.179 5.570 14.581 1.00 0.00 O ATOM 969 CB ASP A 45 91.818 3.244 14.203 1.00 0.00 C ATOM 970 CG ASP A 45 92.795 3.076 15.352 1.00 0.00 C ATOM 971 OD1 ASP A 45 93.286 4.097 15.875 1.00 0.00 O ATOM 972 OD2 ASP A 45 93.101 1.921 15.711 1.00 0.00 O ATOM 0 H ASP A 45 89.367 3.765 12.840 1.00 0.00 H new ATOM 0 HA ASP A 45 90.175 2.892 15.550 1.00 0.00 H new ATOM 0 HB2 ASP A 45 91.849 2.352 13.577 1.00 0.00 H new ATOM 0 HB3 ASP A 45 92.140 4.080 13.582 1.00 0.00 H new ATOM 977 N ASP A 46 91.058 5.508 15.810 1.00 0.00 N ATOM 978 CA ASP A 46 90.953 6.885 16.277 1.00 0.00 C ATOM 979 C ASP A 46 91.307 7.871 15.168 1.00 0.00 C ATOM 980 O ASP A 46 92.149 7.588 14.316 1.00 0.00 O ATOM 981 CB ASP A 46 91.871 7.098 17.486 1.00 0.00 C ATOM 982 CG ASP A 46 91.920 8.542 17.939 1.00 0.00 C ATOM 983 OD1 ASP A 46 90.854 9.110 18.252 1.00 0.00 O ATOM 984 OD2 ASP A 46 93.027 9.120 17.978 1.00 0.00 O ATOM 0 H ASP A 46 91.886 5.017 16.148 1.00 0.00 H new ATOM 0 HA ASP A 46 89.920 7.067 16.573 1.00 0.00 H new ATOM 0 HB2 ASP A 46 91.527 6.475 18.311 1.00 0.00 H new ATOM 0 HB3 ASP A 46 92.878 6.767 17.234 1.00 0.00 H new ATOM 989 N LEU A 47 90.661 9.029 15.189 1.00 0.00 N ATOM 990 CA LEU A 47 90.882 10.052 14.180 1.00 0.00 C ATOM 991 C LEU A 47 91.914 11.063 14.672 1.00 0.00 C ATOM 992 O LEU A 47 91.785 11.623 15.764 1.00 0.00 O ATOM 993 CB LEU A 47 89.549 10.753 13.845 1.00 0.00 C ATOM 994 CG LEU A 47 89.558 11.717 12.643 1.00 0.00 C ATOM 995 CD1 LEU A 47 88.137 11.967 12.165 1.00 0.00 C ATOM 996 CD2 LEU A 47 90.212 13.045 13.000 1.00 0.00 C ATOM 0 H LEU A 47 89.975 9.283 15.900 1.00 0.00 H new ATOM 0 HA LEU A 47 91.267 9.584 13.274 1.00 0.00 H new ATOM 0 HB2 LEU A 47 88.798 9.985 13.660 1.00 0.00 H new ATOM 0 HB3 LEU A 47 89.226 11.309 14.725 1.00 0.00 H new ATOM 0 HG LEU A 47 90.139 11.250 11.848 1.00 0.00 H new ATOM 0 HD11 LEU A 47 88.154 12.649 11.315 1.00 0.00 H new ATOM 0 HD12 LEU A 47 87.683 11.023 11.863 1.00 0.00 H new ATOM 0 HD13 LEU A 47 87.554 12.408 12.973 1.00 0.00 H new ATOM 0 HD21 LEU A 47 90.202 13.701 12.130 1.00 0.00 H new ATOM 0 HD22 LEU A 47 89.661 13.514 13.815 1.00 0.00 H new ATOM 0 HD23 LEU A 47 91.242 12.871 13.311 1.00 0.00 H new ATOM 1008 N THR A 48 92.948 11.271 13.874 1.00 0.00 N ATOM 1009 CA THR A 48 93.919 12.318 14.127 1.00 0.00 C ATOM 1010 C THR A 48 94.254 13.008 12.807 1.00 0.00 C ATOM 1011 O THR A 48 94.476 12.345 11.798 1.00 0.00 O ATOM 1012 CB THR A 48 95.203 11.755 14.771 1.00 0.00 C ATOM 1013 OG1 THR A 48 94.858 10.889 15.862 1.00 0.00 O ATOM 1014 CG2 THR A 48 96.089 12.878 15.289 1.00 0.00 C ATOM 0 H THR A 48 93.136 10.720 13.036 1.00 0.00 H new ATOM 0 HA THR A 48 93.488 13.033 14.828 1.00 0.00 H new ATOM 0 HB THR A 48 95.749 11.198 14.010 1.00 0.00 H new ATOM 0 HG1 THR A 48 95.676 10.532 16.268 1.00 0.00 H new ATOM 0 HG21 THR A 48 96.987 12.455 15.738 1.00 0.00 H new ATOM 0 HG22 THR A 48 96.370 13.531 14.462 1.00 0.00 H new ATOM 0 HG23 THR A 48 95.546 13.454 16.038 1.00 0.00 H new ATOM 1022 N GLU A 49 94.268 14.334 12.804 1.00 0.00 N ATOM 1023 CA GLU A 49 94.476 15.084 11.569 1.00 0.00 C ATOM 1024 C GLU A 49 95.938 15.084 11.140 1.00 0.00 C ATOM 1025 O GLU A 49 96.289 15.657 10.107 1.00 0.00 O ATOM 1026 CB GLU A 49 93.963 16.512 11.721 1.00 0.00 C ATOM 1027 CG GLU A 49 92.452 16.590 11.829 1.00 0.00 C ATOM 1028 CD GLU A 49 91.952 18.010 11.953 1.00 0.00 C ATOM 1029 OE1 GLU A 49 92.013 18.756 10.956 1.00 0.00 O ATOM 1030 OE2 GLU A 49 91.506 18.389 13.054 1.00 0.00 O ATOM 0 H GLU A 49 94.139 14.911 13.635 1.00 0.00 H new ATOM 0 HA GLU A 49 93.908 14.585 10.784 1.00 0.00 H new ATOM 0 HB2 GLU A 49 94.409 16.960 12.609 1.00 0.00 H new ATOM 0 HB3 GLU A 49 94.292 17.103 10.866 1.00 0.00 H new ATOM 0 HG2 GLU A 49 92.004 16.126 10.950 1.00 0.00 H new ATOM 0 HG3 GLU A 49 92.123 16.016 12.695 1.00 0.00 H new ATOM 1037 N ASP A 50 96.783 14.436 11.925 1.00 0.00 N ATOM 1038 CA ASP A 50 98.189 14.279 11.573 1.00 0.00 C ATOM 1039 C ASP A 50 98.365 13.138 10.586 1.00 0.00 C ATOM 1040 O ASP A 50 99.378 13.060 9.888 1.00 0.00 O ATOM 1041 CB ASP A 50 99.043 14.032 12.816 1.00 0.00 C ATOM 1042 CG ASP A 50 99.590 15.316 13.401 1.00 0.00 C ATOM 1043 OD1 ASP A 50 98.916 15.924 14.260 1.00 0.00 O ATOM 1044 OD2 ASP A 50 100.703 15.721 13.000 1.00 0.00 O ATOM 0 H ASP A 50 96.521 14.008 12.813 1.00 0.00 H new ATOM 0 HA ASP A 50 98.523 15.206 11.107 1.00 0.00 H new ATOM 0 HB2 ASP A 50 98.445 13.518 13.569 1.00 0.00 H new ATOM 0 HB3 ASP A 50 99.871 13.370 12.560 1.00 0.00 H new ATOM 1049 N ASP A 51 97.376 12.257 10.537 1.00 0.00 N ATOM 1050 CA ASP A 51 97.380 11.144 9.599 1.00 0.00 C ATOM 1051 C ASP A 51 96.865 11.617 8.250 1.00 0.00 C ATOM 1052 O ASP A 51 96.061 12.553 8.180 1.00 0.00 O ATOM 1053 CB ASP A 51 96.496 10.001 10.111 1.00 0.00 C ATOM 1054 CG ASP A 51 96.911 9.499 11.480 1.00 0.00 C ATOM 1055 OD1 ASP A 51 96.465 10.080 12.492 1.00 0.00 O ATOM 1056 OD2 ASP A 51 97.679 8.517 11.553 1.00 0.00 O ATOM 0 H ASP A 51 96.555 12.293 11.141 1.00 0.00 H new ATOM 0 HA ASP A 51 98.401 10.777 9.498 1.00 0.00 H new ATOM 0 HB2 ASP A 51 95.461 10.340 10.153 1.00 0.00 H new ATOM 0 HB3 ASP A 51 96.532 9.175 9.401 1.00 0.00 H new ATOM 1061 N ILE A 52 97.319 10.981 7.180 1.00 0.00 N ATOM 1062 CA ILE A 52 96.856 11.336 5.850 1.00 0.00 C ATOM 1063 C ILE A 52 95.432 10.840 5.655 1.00 0.00 C ATOM 1064 O ILE A 52 95.164 9.638 5.704 1.00 0.00 O ATOM 1065 CB ILE A 52 97.775 10.778 4.740 1.00 0.00 C ATOM 1066 CG1 ILE A 52 99.177 11.385 4.867 1.00 0.00 C ATOM 1067 CG2 ILE A 52 97.185 11.060 3.362 1.00 0.00 C ATOM 1068 CD1 ILE A 52 100.114 11.017 3.734 1.00 0.00 C ATOM 0 H ILE A 52 98.001 10.223 7.207 1.00 0.00 H new ATOM 0 HA ILE A 52 96.883 12.423 5.769 1.00 0.00 H new ATOM 0 HB ILE A 52 97.852 9.697 4.857 1.00 0.00 H new ATOM 0 HG12 ILE A 52 99.089 12.470 4.914 1.00 0.00 H new ATOM 0 HG13 ILE A 52 99.618 11.060 5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 52 97.847 10.659 2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 52 96.207 10.586 3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 52 97.079 12.136 3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 52 101.085 11.485 3.898 1.00 0.00 H new ATOM 0 HD12 ILE A 52 100.235 9.934 3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 52 99.697 11.366 2.789 1.00 0.00 H new ATOM 1080 N ARG A 53 94.520 11.778 5.457 1.00 0.00 N ATOM 1081 CA ARG A 53 93.109 11.461 5.383 1.00 0.00 C ATOM 1082 C ARG A 53 92.637 11.417 3.936 1.00 0.00 C ATOM 1083 O ARG A 53 92.732 12.403 3.207 1.00 0.00 O ATOM 1084 CB ARG A 53 92.302 12.486 6.181 1.00 0.00 C ATOM 1085 CG ARG A 53 90.845 12.104 6.358 1.00 0.00 C ATOM 1086 CD ARG A 53 90.138 13.035 7.328 1.00 0.00 C ATOM 1087 NE ARG A 53 89.965 14.383 6.792 1.00 0.00 N ATOM 1088 CZ ARG A 53 88.907 15.149 7.059 1.00 0.00 C ATOM 1089 NH1 ARG A 53 87.912 14.676 7.802 1.00 0.00 N ATOM 1090 NH2 ARG A 53 88.830 16.379 6.570 1.00 0.00 N ATOM 0 H ARG A 53 94.736 12.768 5.345 1.00 0.00 H new ATOM 0 HA ARG A 53 92.952 10.473 5.816 1.00 0.00 H new ATOM 0 HB2 ARG A 53 92.758 12.611 7.163 1.00 0.00 H new ATOM 0 HB3 ARG A 53 92.358 13.452 5.678 1.00 0.00 H new ATOM 0 HG2 ARG A 53 90.341 12.132 5.392 1.00 0.00 H new ATOM 0 HG3 ARG A 53 90.778 11.079 6.722 1.00 0.00 H new ATOM 0 HD2 ARG A 53 89.162 12.620 7.577 1.00 0.00 H new ATOM 0 HD3 ARG A 53 90.708 13.088 8.255 1.00 0.00 H new ATOM 0 HE ARG A 53 90.691 14.758 6.182 1.00 0.00 H new ATOM 0 HH11 ARG A 53 87.957 13.725 8.169 1.00 0.00 H new ATOM 0 HH12 ARG A 53 87.103 15.264 8.005 1.00 0.00 H new ATOM 0 HH21 ARG A 53 89.583 16.744 5.986 1.00 0.00 H new ATOM 0 HH22 ARG A 53 88.018 16.960 6.778 1.00 0.00 H new ATOM 1104 N LEU A 54 92.136 10.262 3.533 1.00 0.00 N ATOM 1105 CA LEU A 54 91.633 10.062 2.184 1.00 0.00 C ATOM 1106 C LEU A 54 90.131 9.819 2.223 1.00 0.00 C ATOM 1107 O LEU A 54 89.648 9.027 3.028 1.00 0.00 O ATOM 1108 CB LEU A 54 92.331 8.865 1.533 1.00 0.00 C ATOM 1109 CG LEU A 54 93.853 8.975 1.417 1.00 0.00 C ATOM 1110 CD1 LEU A 54 94.443 7.658 0.947 1.00 0.00 C ATOM 1111 CD2 LEU A 54 94.242 10.096 0.465 1.00 0.00 C ATOM 0 H LEU A 54 92.066 9.438 4.130 1.00 0.00 H new ATOM 0 HA LEU A 54 91.839 10.956 1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 54 92.091 7.970 2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 54 91.917 8.724 0.535 1.00 0.00 H new ATOM 0 HG LEU A 54 94.255 9.208 2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 54 95.526 7.752 0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 54 94.197 6.873 1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 54 94.030 7.402 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 54 95.328 10.156 0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 54 93.828 9.894 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 54 93.849 11.042 0.837 1.00 0.00 H new ATOM 1123 N THR A 55 89.394 10.504 1.373 1.00 0.00 N ATOM 1124 CA THR A 55 87.956 10.317 1.311 1.00 0.00 C ATOM 1125 C THR A 55 87.571 9.636 0.001 1.00 0.00 C ATOM 1126 O THR A 55 87.698 10.227 -1.072 1.00 0.00 O ATOM 1127 CB THR A 55 87.214 11.662 1.438 1.00 0.00 C ATOM 1128 OG1 THR A 55 87.730 12.398 2.559 1.00 0.00 O ATOM 1129 CG2 THR A 55 85.718 11.441 1.621 1.00 0.00 C ATOM 0 H THR A 55 89.763 11.193 0.718 1.00 0.00 H new ATOM 0 HA THR A 55 87.663 9.683 2.148 1.00 0.00 H new ATOM 0 HB THR A 55 87.373 12.229 0.521 1.00 0.00 H new ATOM 0 HG1 THR A 55 87.257 13.253 2.635 1.00 0.00 H new ATOM 0 HG21 THR A 55 85.216 12.405 1.708 1.00 0.00 H new ATOM 0 HG22 THR A 55 85.322 10.902 0.760 1.00 0.00 H new ATOM 0 HG23 THR A 55 85.544 10.858 2.526 1.00 0.00 H new ATOM 1137 N SER A 56 87.117 8.392 0.090 1.00 0.00 N ATOM 1138 CA SER A 56 86.746 7.637 -1.096 1.00 0.00 C ATOM 1139 C SER A 56 85.234 7.450 -1.142 1.00 0.00 C ATOM 1140 O SER A 56 84.688 6.594 -0.438 1.00 0.00 O ATOM 1141 CB SER A 56 87.458 6.278 -1.109 1.00 0.00 C ATOM 1142 OG SER A 56 87.352 5.651 -2.377 1.00 0.00 O ATOM 0 H SER A 56 86.998 7.888 0.969 1.00 0.00 H new ATOM 0 HA SER A 56 87.056 8.194 -1.980 1.00 0.00 H new ATOM 0 HB2 SER A 56 88.509 6.414 -0.855 1.00 0.00 H new ATOM 0 HB3 SER A 56 87.026 5.632 -0.345 1.00 0.00 H new ATOM 0 HG SER A 56 88.054 4.973 -2.466 1.00 0.00 H new ATOM 1148 N GLU A 57 84.573 8.297 -1.938 1.00 0.00 N ATOM 1149 CA GLU A 57 83.117 8.281 -2.119 1.00 0.00 C ATOM 1150 C GLU A 57 82.385 8.769 -0.870 1.00 0.00 C ATOM 1151 O GLU A 57 81.580 9.702 -0.926 1.00 0.00 O ATOM 1152 CB GLU A 57 82.620 6.885 -2.505 1.00 0.00 C ATOM 1153 CG GLU A 57 81.111 6.805 -2.644 1.00 0.00 C ATOM 1154 CD GLU A 57 80.627 5.418 -2.982 1.00 0.00 C ATOM 1155 OE1 GLU A 57 80.400 4.623 -2.047 1.00 0.00 O ATOM 1156 OE2 GLU A 57 80.457 5.124 -4.180 1.00 0.00 O ATOM 0 H GLU A 57 85.040 9.023 -2.482 1.00 0.00 H new ATOM 0 HA GLU A 57 82.894 8.969 -2.934 1.00 0.00 H new ATOM 0 HB2 GLU A 57 83.081 6.590 -3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 57 82.948 6.169 -1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 57 80.647 7.129 -1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 57 80.785 7.498 -3.420 1.00 0.00 H new ATOM 1163 N GLY A 58 82.676 8.135 0.247 1.00 0.00 N ATOM 1164 CA GLY A 58 82.019 8.458 1.495 1.00 0.00 C ATOM 1165 C GLY A 58 82.774 7.915 2.689 1.00 0.00 C ATOM 1166 O GLY A 58 82.751 8.504 3.769 1.00 0.00 O ATOM 0 H GLY A 58 83.368 7.389 0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 58 81.926 9.540 1.586 1.00 0.00 H new ATOM 0 HA3 GLY A 58 81.008 8.050 1.489 1.00 0.00 H new ATOM 1170 N VAL A 59 83.445 6.786 2.494 1.00 0.00 N ATOM 1171 CA VAL A 59 84.246 6.185 3.550 1.00 0.00 C ATOM 1172 C VAL A 59 85.523 6.991 3.755 1.00 0.00 C ATOM 1173 O VAL A 59 86.264 7.253 2.803 1.00 0.00 O ATOM 1174 CB VAL A 59 84.604 4.717 3.225 1.00 0.00 C ATOM 1175 CG1 VAL A 59 85.417 4.094 4.351 1.00 0.00 C ATOM 1176 CG2 VAL A 59 83.344 3.907 2.967 1.00 0.00 C ATOM 0 H VAL A 59 83.449 6.270 1.614 1.00 0.00 H new ATOM 0 HA VAL A 59 83.653 6.194 4.465 1.00 0.00 H new ATOM 0 HB VAL A 59 85.214 4.708 2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 59 85.656 3.061 4.098 1.00 0.00 H new ATOM 0 HG12 VAL A 59 86.340 4.657 4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 59 84.838 4.117 5.274 1.00 0.00 H new ATOM 0 HG21 VAL A 59 83.615 2.876 2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 59 82.710 3.929 3.853 1.00 0.00 H new ATOM 0 HG23 VAL A 59 82.803 4.335 2.123 1.00 0.00 H new ATOM 1186 N GLU A 60 85.763 7.396 4.993 1.00 0.00 N ATOM 1187 CA GLU A 60 86.924 8.206 5.311 1.00 0.00 C ATOM 1188 C GLU A 60 88.071 7.326 5.794 1.00 0.00 C ATOM 1189 O GLU A 60 87.940 6.589 6.774 1.00 0.00 O ATOM 1190 CB GLU A 60 86.563 9.252 6.364 1.00 0.00 C ATOM 1191 CG GLU A 60 87.632 10.312 6.552 1.00 0.00 C ATOM 1192 CD GLU A 60 87.165 11.456 7.424 1.00 0.00 C ATOM 1193 OE1 GLU A 60 86.308 12.240 6.971 1.00 0.00 O ATOM 1194 OE2 GLU A 60 87.660 11.586 8.560 1.00 0.00 O ATOM 0 H GLU A 60 85.168 7.176 5.792 1.00 0.00 H new ATOM 0 HA GLU A 60 87.250 8.723 4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.628 9.736 6.080 1.00 0.00 H new ATOM 0 HB3 GLU A 60 86.386 8.752 7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 60 88.516 9.857 6.998 1.00 0.00 H new ATOM 0 HG3 GLU A 60 87.930 10.700 5.578 1.00 0.00 H new ATOM 1201 N ILE A 61 89.181 7.400 5.082 1.00 0.00 N ATOM 1202 CA ILE A 61 90.352 6.595 5.376 1.00 0.00 C ATOM 1203 C ILE A 61 91.423 7.449 6.045 1.00 0.00 C ATOM 1204 O ILE A 61 91.752 8.531 5.562 1.00 0.00 O ATOM 1205 CB ILE A 61 90.945 5.990 4.081 1.00 0.00 C ATOM 1206 CG1 ILE A 61 89.861 5.288 3.255 1.00 0.00 C ATOM 1207 CG2 ILE A 61 92.071 5.021 4.405 1.00 0.00 C ATOM 1208 CD1 ILE A 61 89.237 4.094 3.944 1.00 0.00 C ATOM 0 H ILE A 61 89.296 8.022 4.282 1.00 0.00 H new ATOM 0 HA ILE A 61 90.042 5.791 6.043 1.00 0.00 H new ATOM 0 HB ILE A 61 91.351 6.809 3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 61 89.077 6.007 3.017 1.00 0.00 H new ATOM 0 HG13 ILE A 61 90.293 4.963 2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 61 92.473 4.608 3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 61 92.861 5.547 4.941 1.00 0.00 H new ATOM 0 HG23 ILE A 61 91.687 4.212 5.027 1.00 0.00 H new ATOM 0 HD11 ILE A 61 88.480 3.654 3.295 1.00 0.00 H new ATOM 0 HD12 ILE A 61 90.008 3.353 4.158 1.00 0.00 H new ATOM 0 HD13 ILE A 61 88.773 4.414 4.877 1.00 0.00 H new ATOM 1220 N VAL A 62 91.956 6.974 7.155 1.00 0.00 N ATOM 1221 CA VAL A 62 93.057 7.653 7.819 1.00 0.00 C ATOM 1222 C VAL A 62 94.290 6.756 7.836 1.00 0.00 C ATOM 1223 O VAL A 62 94.300 5.697 8.462 1.00 0.00 O ATOM 1224 CB VAL A 62 92.696 8.104 9.257 1.00 0.00 C ATOM 1225 CG1 VAL A 62 91.746 9.291 9.220 1.00 0.00 C ATOM 1226 CG2 VAL A 62 92.080 6.966 10.059 1.00 0.00 C ATOM 0 H VAL A 62 91.645 6.120 7.618 1.00 0.00 H new ATOM 0 HA VAL A 62 93.272 8.557 7.249 1.00 0.00 H new ATOM 0 HB VAL A 62 93.620 8.404 9.751 1.00 0.00 H new ATOM 0 HG11 VAL A 62 91.503 9.594 10.238 1.00 0.00 H new ATOM 0 HG12 VAL A 62 92.221 10.121 8.698 1.00 0.00 H new ATOM 0 HG13 VAL A 62 90.832 9.009 8.698 1.00 0.00 H new ATOM 0 HG21 VAL A 62 91.839 7.317 11.062 1.00 0.00 H new ATOM 0 HG22 VAL A 62 91.170 6.624 9.566 1.00 0.00 H new ATOM 0 HG23 VAL A 62 92.789 6.141 10.124 1.00 0.00 H new ATOM 1236 N ILE A 63 95.316 7.163 7.110 1.00 0.00 N ATOM 1237 CA ILE A 63 96.524 6.366 7.006 1.00 0.00 C ATOM 1238 C ILE A 63 97.718 7.129 7.560 1.00 0.00 C ATOM 1239 O ILE A 63 98.061 8.212 7.081 1.00 0.00 O ATOM 1240 CB ILE A 63 96.801 5.942 5.548 1.00 0.00 C ATOM 1241 CG1 ILE A 63 95.575 5.226 4.973 1.00 0.00 C ATOM 1242 CG2 ILE A 63 98.024 5.037 5.486 1.00 0.00 C ATOM 1243 CD1 ILE A 63 95.719 4.830 3.520 1.00 0.00 C ATOM 0 H ILE A 63 95.337 8.038 6.586 1.00 0.00 H new ATOM 0 HA ILE A 63 96.371 5.463 7.598 1.00 0.00 H new ATOM 0 HB ILE A 63 97.001 6.832 4.951 1.00 0.00 H new ATOM 0 HG12 ILE A 63 95.378 4.332 5.565 1.00 0.00 H new ATOM 0 HG13 ILE A 63 94.706 5.875 5.078 1.00 0.00 H new ATOM 0 HG21 ILE A 63 98.209 4.745 4.452 1.00 0.00 H new ATOM 0 HG22 ILE A 63 98.892 5.571 5.873 1.00 0.00 H new ATOM 0 HG23 ILE A 63 97.848 4.146 6.089 1.00 0.00 H new ATOM 0 HD11 ILE A 63 94.810 4.329 3.188 1.00 0.00 H new ATOM 0 HD12 ILE A 63 95.884 5.721 2.915 1.00 0.00 H new ATOM 0 HD13 ILE A 63 96.567 4.154 3.409 1.00 0.00 H new ATOM 1255 N ALA A 64 98.331 6.558 8.584 1.00 0.00 N ATOM 1256 CA ALA A 64 99.496 7.153 9.214 1.00 0.00 C ATOM 1257 C ALA A 64 100.680 7.166 8.252 1.00 0.00 C ATOM 1258 O ALA A 64 100.872 6.214 7.492 1.00 0.00 O ATOM 1259 CB ALA A 64 99.845 6.390 10.479 1.00 0.00 C ATOM 0 H ALA A 64 98.037 5.674 8.999 1.00 0.00 H new ATOM 0 HA ALA A 64 99.264 8.185 9.478 1.00 0.00 H new ATOM 0 HB1 ALA A 64 100.720 6.842 10.947 1.00 0.00 H new ATOM 0 HB2 ALA A 64 99.004 6.428 11.171 1.00 0.00 H new ATOM 0 HB3 ALA A 64 100.063 5.352 10.229 1.00 0.00 H new ATOM 1265 N PRO A 65 101.486 8.246 8.284 1.00 0.00 N ATOM 1266 CA PRO A 65 102.627 8.442 7.375 1.00 0.00 C ATOM 1267 C PRO A 65 103.510 7.202 7.214 1.00 0.00 C ATOM 1268 O PRO A 65 104.022 6.937 6.126 1.00 0.00 O ATOM 1269 CB PRO A 65 103.410 9.567 8.046 1.00 0.00 C ATOM 1270 CG PRO A 65 102.376 10.364 8.762 1.00 0.00 C ATOM 1271 CD PRO A 65 101.335 9.380 9.221 1.00 0.00 C ATOM 0 HA PRO A 65 102.292 8.661 6.361 1.00 0.00 H new ATOM 0 HB2 PRO A 65 104.157 9.174 8.736 1.00 0.00 H new ATOM 0 HB3 PRO A 65 103.941 10.173 7.312 1.00 0.00 H new ATOM 0 HG2 PRO A 65 102.811 10.895 9.609 1.00 0.00 H new ATOM 0 HG3 PRO A 65 101.939 11.116 8.105 1.00 0.00 H new ATOM 0 HD2 PRO A 65 101.503 9.072 10.253 1.00 0.00 H new ATOM 0 HD3 PRO A 65 100.333 9.807 9.175 1.00 0.00 H new ATOM 1279 N ASP A 66 103.672 6.441 8.292 1.00 0.00 N ATOM 1280 CA ASP A 66 104.506 5.241 8.268 1.00 0.00 C ATOM 1281 C ASP A 66 103.964 4.194 7.297 1.00 0.00 C ATOM 1282 O ASP A 66 104.723 3.562 6.564 1.00 0.00 O ATOM 1283 CB ASP A 66 104.615 4.637 9.672 1.00 0.00 C ATOM 1284 CG ASP A 66 105.412 3.346 9.685 1.00 0.00 C ATOM 1285 OD1 ASP A 66 106.573 3.358 9.223 1.00 0.00 O ATOM 1286 OD2 ASP A 66 104.888 2.321 10.171 1.00 0.00 O ATOM 0 H ASP A 66 103.237 6.633 9.194 1.00 0.00 H new ATOM 0 HA ASP A 66 105.496 5.541 7.924 1.00 0.00 H new ATOM 0 HB2 ASP A 66 105.086 5.359 10.340 1.00 0.00 H new ATOM 0 HB3 ASP A 66 103.615 4.448 10.062 1.00 0.00 H new ATOM 1291 N TYR A 67 102.647 4.038 7.270 1.00 0.00 N ATOM 1292 CA TYR A 67 102.019 2.984 6.478 1.00 0.00 C ATOM 1293 C TYR A 67 101.724 3.466 5.061 1.00 0.00 C ATOM 1294 O TYR A 67 101.512 2.661 4.156 1.00 0.00 O ATOM 1295 CB TYR A 67 100.726 2.518 7.152 1.00 0.00 C ATOM 1296 CG TYR A 67 100.878 2.256 8.634 1.00 0.00 C ATOM 1297 CD1 TYR A 67 101.685 1.227 9.102 1.00 0.00 C ATOM 1298 CD2 TYR A 67 100.216 3.044 9.568 1.00 0.00 C ATOM 1299 CE1 TYR A 67 101.832 0.994 10.456 1.00 0.00 C ATOM 1300 CE2 TYR A 67 100.356 2.816 10.922 1.00 0.00 C ATOM 1301 CZ TYR A 67 101.163 1.792 11.361 1.00 0.00 C ATOM 1302 OH TYR A 67 101.310 1.570 12.712 1.00 0.00 O ATOM 0 H TYR A 67 101.992 4.626 7.786 1.00 0.00 H new ATOM 0 HA TYR A 67 102.714 2.146 6.417 1.00 0.00 H new ATOM 0 HB2 TYR A 67 99.955 3.274 7.002 1.00 0.00 H new ATOM 0 HB3 TYR A 67 100.379 1.607 6.664 1.00 0.00 H new ATOM 0 HD1 TYR A 67 102.207 0.598 8.396 1.00 0.00 H new ATOM 0 HD2 TYR A 67 99.581 3.849 9.228 1.00 0.00 H new ATOM 0 HE1 TYR A 67 102.467 0.192 10.804 1.00 0.00 H new ATOM 0 HE2 TYR A 67 99.834 3.439 11.634 1.00 0.00 H new ATOM 0 HH TYR A 67 100.772 2.220 13.211 1.00 0.00 H new ATOM 1312 N VAL A 68 101.726 4.783 4.879 1.00 0.00 N ATOM 1313 CA VAL A 68 101.429 5.395 3.584 1.00 0.00 C ATOM 1314 C VAL A 68 102.346 4.856 2.487 1.00 0.00 C ATOM 1315 O VAL A 68 101.899 4.553 1.381 1.00 0.00 O ATOM 1316 CB VAL A 68 101.566 6.932 3.652 1.00 0.00 C ATOM 1317 CG1 VAL A 68 101.384 7.563 2.279 1.00 0.00 C ATOM 1318 CG2 VAL A 68 100.561 7.507 4.635 1.00 0.00 C ATOM 0 H VAL A 68 101.932 5.454 5.619 1.00 0.00 H new ATOM 0 HA VAL A 68 100.399 5.136 3.340 1.00 0.00 H new ATOM 0 HB VAL A 68 102.573 7.166 3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 68 101.486 8.645 2.360 1.00 0.00 H new ATOM 0 HG12 VAL A 68 102.142 7.177 1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 68 100.393 7.320 1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 68 100.669 8.591 4.673 1.00 0.00 H new ATOM 0 HG22 VAL A 68 99.551 7.254 4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 68 100.741 7.090 5.626 1.00 0.00 H new ATOM 1328 N SER A 69 103.620 4.699 2.818 1.00 0.00 N ATOM 1329 CA SER A 69 104.625 4.290 1.847 1.00 0.00 C ATOM 1330 C SER A 69 104.403 2.843 1.384 1.00 0.00 C ATOM 1331 O SER A 69 104.963 2.412 0.375 1.00 0.00 O ATOM 1332 CB SER A 69 106.022 4.451 2.460 1.00 0.00 C ATOM 1333 OG SER A 69 107.040 4.377 1.474 1.00 0.00 O ATOM 0 H SER A 69 103.984 4.850 3.759 1.00 0.00 H new ATOM 0 HA SER A 69 104.538 4.929 0.968 1.00 0.00 H new ATOM 0 HB2 SER A 69 106.085 5.409 2.976 1.00 0.00 H new ATOM 0 HB3 SER A 69 106.183 3.675 3.208 1.00 0.00 H new ATOM 0 HG SER A 69 106.766 3.756 0.767 1.00 0.00 H new ATOM 1339 N LEU A 70 103.576 2.100 2.110 1.00 0.00 N ATOM 1340 CA LEU A 70 103.330 0.698 1.782 1.00 0.00 C ATOM 1341 C LEU A 70 101.934 0.497 1.200 1.00 0.00 C ATOM 1342 O LEU A 70 101.604 -0.586 0.723 1.00 0.00 O ATOM 1343 CB LEU A 70 103.490 -0.174 3.031 1.00 0.00 C ATOM 1344 CG LEU A 70 104.881 -0.157 3.669 1.00 0.00 C ATOM 1345 CD1 LEU A 70 104.894 -1.007 4.929 1.00 0.00 C ATOM 1346 CD2 LEU A 70 105.929 -0.650 2.681 1.00 0.00 C ATOM 0 H LEU A 70 103.066 2.441 2.925 1.00 0.00 H new ATOM 0 HA LEU A 70 104.062 0.403 1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 70 102.763 0.151 3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 70 103.241 -1.203 2.770 1.00 0.00 H new ATOM 0 HG LEU A 70 105.124 0.870 3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 70 105.890 -0.986 5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 70 104.171 -0.611 5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 70 104.631 -2.034 4.678 1.00 0.00 H new ATOM 0 HD21 LEU A 70 106.911 -0.631 3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 70 105.692 -1.670 2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 70 105.935 -0.003 1.804 1.00 0.00 H new ATOM 1358 N LEU A 71 101.118 1.541 1.235 1.00 0.00 N ATOM 1359 CA LEU A 71 99.724 1.421 0.825 1.00 0.00 C ATOM 1360 C LEU A 71 99.380 2.394 -0.297 1.00 0.00 C ATOM 1361 O LEU A 71 98.215 2.544 -0.668 1.00 0.00 O ATOM 1362 CB LEU A 71 98.807 1.660 2.027 1.00 0.00 C ATOM 1363 CG LEU A 71 98.982 0.669 3.182 1.00 0.00 C ATOM 1364 CD1 LEU A 71 98.160 1.100 4.382 1.00 0.00 C ATOM 1365 CD2 LEU A 71 98.591 -0.736 2.746 1.00 0.00 C ATOM 0 H LEU A 71 101.393 2.474 1.540 1.00 0.00 H new ATOM 0 HA LEU A 71 99.573 0.411 0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 71 98.982 2.668 2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 71 97.772 1.621 1.688 1.00 0.00 H new ATOM 0 HG LEU A 71 100.033 0.660 3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 71 98.297 0.384 5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 71 98.486 2.087 4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 71 97.106 1.139 4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 71 98.722 -1.425 3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 71 97.548 -0.742 2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 71 99.223 -1.048 1.914 1.00 0.00 H new ATOM 1377 N ASP A 72 100.389 3.048 -0.846 1.00 0.00 N ATOM 1378 CA ASP A 72 100.165 4.021 -1.908 1.00 0.00 C ATOM 1379 C ASP A 72 99.905 3.339 -3.247 1.00 0.00 C ATOM 1380 O ASP A 72 100.596 2.388 -3.617 1.00 0.00 O ATOM 1381 CB ASP A 72 101.349 4.977 -2.036 1.00 0.00 C ATOM 1382 CG ASP A 72 101.226 5.866 -3.257 1.00 0.00 C ATOM 1383 OD1 ASP A 72 100.291 6.697 -3.305 1.00 0.00 O ATOM 1384 OD2 ASP A 72 102.061 5.731 -4.177 1.00 0.00 O ATOM 0 H ASP A 72 101.366 2.926 -0.578 1.00 0.00 H new ATOM 0 HA ASP A 72 99.278 4.593 -1.635 1.00 0.00 H new ATOM 0 HB2 ASP A 72 101.415 5.596 -1.141 1.00 0.00 H new ATOM 0 HB3 ASP A 72 102.274 4.404 -2.096 1.00 0.00 H new ATOM 1389 N GLN A 73 98.889 3.838 -3.951 1.00 0.00 N ATOM 1390 CA GLN A 73 98.519 3.360 -5.285 1.00 0.00 C ATOM 1391 C GLN A 73 97.975 1.932 -5.227 1.00 0.00 C ATOM 1392 O GLN A 73 97.960 1.209 -6.224 1.00 0.00 O ATOM 1393 CB GLN A 73 99.705 3.468 -6.253 1.00 0.00 C ATOM 1394 CG GLN A 73 99.306 3.390 -7.719 1.00 0.00 C ATOM 1395 CD GLN A 73 100.466 3.650 -8.654 1.00 0.00 C ATOM 1396 OE1 GLN A 73 101.182 2.730 -9.050 1.00 0.00 O ATOM 1397 NE2 GLN A 73 100.662 4.908 -9.014 1.00 0.00 N ATOM 0 H GLN A 73 98.294 4.592 -3.609 1.00 0.00 H new ATOM 0 HA GLN A 73 97.722 3.999 -5.664 1.00 0.00 H new ATOM 0 HB2 GLN A 73 100.223 4.411 -6.076 1.00 0.00 H new ATOM 0 HB3 GLN A 73 100.414 2.669 -6.035 1.00 0.00 H new ATOM 0 HG2 GLN A 73 98.891 2.404 -7.927 1.00 0.00 H new ATOM 0 HG3 GLN A 73 98.517 4.115 -7.916 1.00 0.00 H new ATOM 0 HE21 GLN A 73 100.045 5.641 -8.663 1.00 0.00 H new ATOM 0 HE22 GLN A 73 101.430 5.145 -9.642 1.00 0.00 H new ATOM 1406 N THR A 74 97.493 1.541 -4.058 1.00 0.00 N ATOM 1407 CA THR A 74 96.878 0.239 -3.900 1.00 0.00 C ATOM 1408 C THR A 74 95.396 0.313 -4.249 1.00 0.00 C ATOM 1409 O THR A 74 94.727 1.313 -3.967 1.00 0.00 O ATOM 1410 CB THR A 74 97.048 -0.307 -2.467 1.00 0.00 C ATOM 1411 OG1 THR A 74 96.527 0.628 -1.513 1.00 0.00 O ATOM 1412 CG2 THR A 74 98.512 -0.586 -2.164 1.00 0.00 C ATOM 0 H THR A 74 97.517 2.106 -3.209 1.00 0.00 H new ATOM 0 HA THR A 74 97.383 -0.446 -4.582 1.00 0.00 H new ATOM 0 HB THR A 74 96.492 -1.242 -2.394 1.00 0.00 H new ATOM 0 HG1 THR A 74 97.251 1.206 -1.192 1.00 0.00 H new ATOM 0 HG21 THR A 74 98.607 -0.970 -1.148 1.00 0.00 H new ATOM 0 HG22 THR A 74 98.895 -1.325 -2.868 1.00 0.00 H new ATOM 0 HG23 THR A 74 99.085 0.336 -2.258 1.00 0.00 H new ATOM 1420 N THR A 75 94.893 -0.721 -4.898 1.00 0.00 N ATOM 1421 CA THR A 75 93.481 -0.790 -5.225 1.00 0.00 C ATOM 1422 C THR A 75 92.778 -1.758 -4.282 1.00 0.00 C ATOM 1423 O THR A 75 93.139 -2.929 -4.207 1.00 0.00 O ATOM 1424 CB THR A 75 93.275 -1.238 -6.683 1.00 0.00 C ATOM 1425 OG1 THR A 75 94.139 -0.481 -7.545 1.00 0.00 O ATOM 1426 CG2 THR A 75 91.827 -1.045 -7.112 1.00 0.00 C ATOM 0 H THR A 75 95.441 -1.524 -5.209 1.00 0.00 H new ATOM 0 HA THR A 75 93.053 0.206 -5.108 1.00 0.00 H new ATOM 0 HB THR A 75 93.517 -2.298 -6.756 1.00 0.00 H new ATOM 0 HG1 THR A 75 94.008 -0.768 -8.473 1.00 0.00 H new ATOM 0 HG21 THR A 75 91.708 -1.369 -8.146 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.175 -1.636 -6.469 1.00 0.00 H new ATOM 0 HG23 THR A 75 91.560 0.009 -7.029 1.00 0.00 H new ATOM 1434 N LEU A 76 91.793 -1.269 -3.552 1.00 0.00 N ATOM 1435 CA LEU A 76 91.109 -2.090 -2.570 1.00 0.00 C ATOM 1436 C LEU A 76 89.744 -2.525 -3.085 1.00 0.00 C ATOM 1437 O LEU A 76 88.864 -1.696 -3.328 1.00 0.00 O ATOM 1438 CB LEU A 76 90.966 -1.334 -1.249 1.00 0.00 C ATOM 1439 CG LEU A 76 90.354 -2.143 -0.105 1.00 0.00 C ATOM 1440 CD1 LEU A 76 91.149 -3.416 0.137 1.00 0.00 C ATOM 1441 CD2 LEU A 76 90.296 -1.307 1.160 1.00 0.00 C ATOM 0 H LEU A 76 91.449 -0.311 -3.620 1.00 0.00 H new ATOM 0 HA LEU A 76 91.708 -2.984 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 76 91.951 -0.983 -0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 76 90.351 -0.450 -1.418 1.00 0.00 H new ATOM 0 HG LEU A 76 89.338 -2.422 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 76 90.697 -3.977 0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 76 91.145 -4.025 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 76 92.176 -3.160 0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 76 89.858 -1.896 1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 76 91.304 -1.001 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 76 89.684 -0.422 0.984 1.00 0.00 H new ATOM 1453 N ASP A 77 89.586 -3.828 -3.257 1.00 0.00 N ATOM 1454 CA ASP A 77 88.331 -4.402 -3.716 1.00 0.00 C ATOM 1455 C ASP A 77 88.032 -5.659 -2.906 1.00 0.00 C ATOM 1456 O ASP A 77 88.896 -6.141 -2.174 1.00 0.00 O ATOM 1457 CB ASP A 77 88.412 -4.723 -5.213 1.00 0.00 C ATOM 1458 CG ASP A 77 87.069 -5.088 -5.815 1.00 0.00 C ATOM 1459 OD1 ASP A 77 86.104 -4.313 -5.648 1.00 0.00 O ATOM 1460 OD2 ASP A 77 86.973 -6.148 -6.468 1.00 0.00 O ATOM 0 H ASP A 77 90.320 -4.514 -3.083 1.00 0.00 H new ATOM 0 HA ASP A 77 87.523 -3.685 -3.570 1.00 0.00 H new ATOM 0 HB2 ASP A 77 88.819 -3.861 -5.742 1.00 0.00 H new ATOM 0 HB3 ASP A 77 89.108 -5.548 -5.365 1.00 0.00 H new ATOM 1465 N TYR A 78 86.822 -6.184 -3.016 1.00 0.00 N ATOM 1466 CA TYR A 78 86.439 -7.361 -2.247 1.00 0.00 C ATOM 1467 C TYR A 78 86.165 -8.543 -3.172 1.00 0.00 C ATOM 1468 O TYR A 78 85.459 -8.416 -4.175 1.00 0.00 O ATOM 1469 CB TYR A 78 85.210 -7.066 -1.375 1.00 0.00 C ATOM 1470 CG TYR A 78 83.921 -6.895 -2.153 1.00 0.00 C ATOM 1471 CD1 TYR A 78 83.718 -5.796 -2.977 1.00 0.00 C ATOM 1472 CD2 TYR A 78 82.908 -7.842 -2.063 1.00 0.00 C ATOM 1473 CE1 TYR A 78 82.547 -5.645 -3.687 1.00 0.00 C ATOM 1474 CE2 TYR A 78 81.732 -7.697 -2.770 1.00 0.00 C ATOM 1475 CZ TYR A 78 81.557 -6.598 -3.582 1.00 0.00 C ATOM 1476 OH TYR A 78 80.390 -6.449 -4.295 1.00 0.00 O ATOM 0 H TYR A 78 86.091 -5.818 -3.626 1.00 0.00 H new ATOM 0 HA TYR A 78 87.270 -7.622 -1.591 1.00 0.00 H new ATOM 0 HB2 TYR A 78 85.084 -7.878 -0.659 1.00 0.00 H new ATOM 0 HB3 TYR A 78 85.396 -6.159 -0.799 1.00 0.00 H new ATOM 0 HD1 TYR A 78 84.491 -5.047 -3.063 1.00 0.00 H new ATOM 0 HD2 TYR A 78 83.043 -8.706 -1.429 1.00 0.00 H new ATOM 0 HE1 TYR A 78 82.406 -4.784 -4.323 1.00 0.00 H new ATOM 0 HE2 TYR A 78 80.953 -8.441 -2.687 1.00 0.00 H new ATOM 0 HH TYR A 78 79.796 -7.206 -4.112 1.00 0.00 H new ATOM 1486 N VAL A 79 86.745 -9.683 -2.843 1.00 0.00 N ATOM 1487 CA VAL A 79 86.523 -10.906 -3.601 1.00 0.00 C ATOM 1488 C VAL A 79 86.290 -12.071 -2.651 1.00 0.00 C ATOM 1489 O VAL A 79 86.894 -12.135 -1.577 1.00 0.00 O ATOM 1490 CB VAL A 79 87.714 -11.240 -4.528 1.00 0.00 C ATOM 1491 CG1 VAL A 79 87.858 -10.202 -5.630 1.00 0.00 C ATOM 1492 CG2 VAL A 79 89.002 -11.348 -3.726 1.00 0.00 C ATOM 0 H VAL A 79 87.378 -9.790 -2.050 1.00 0.00 H new ATOM 0 HA VAL A 79 85.644 -10.744 -4.224 1.00 0.00 H new ATOM 0 HB VAL A 79 87.515 -12.204 -4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 79 88.704 -10.462 -6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 79 86.947 -10.178 -6.228 1.00 0.00 H new ATOM 0 HG13 VAL A 79 88.027 -9.221 -5.186 1.00 0.00 H new ATOM 0 HG21 VAL A 79 89.829 -11.584 -4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 79 89.199 -10.400 -3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 79 88.902 -12.138 -2.981 1.00 0.00 H new ATOM 1502 N GLU A 80 85.416 -12.988 -3.025 1.00 0.00 N ATOM 1503 CA GLU A 80 85.146 -14.136 -2.180 1.00 0.00 C ATOM 1504 C GLU A 80 86.090 -15.276 -2.539 1.00 0.00 C ATOM 1505 O GLU A 80 85.722 -16.208 -3.257 1.00 0.00 O ATOM 1506 CB GLU A 80 83.685 -14.581 -2.291 1.00 0.00 C ATOM 1507 CG GLU A 80 83.238 -15.443 -1.121 1.00 0.00 C ATOM 1508 CD GLU A 80 81.795 -15.890 -1.223 1.00 0.00 C ATOM 1509 OE1 GLU A 80 80.891 -15.044 -1.085 1.00 0.00 O ATOM 1510 OE2 GLU A 80 81.559 -17.100 -1.429 1.00 0.00 O ATOM 0 H GLU A 80 84.887 -12.962 -3.897 1.00 0.00 H new ATOM 0 HA GLU A 80 85.319 -13.847 -1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 80 83.046 -13.700 -2.352 1.00 0.00 H new ATOM 0 HB3 GLU A 80 83.550 -15.138 -3.218 1.00 0.00 H new ATOM 0 HG2 GLU A 80 83.880 -16.322 -1.060 1.00 0.00 H new ATOM 0 HG3 GLU A 80 83.373 -14.885 -0.195 1.00 0.00 H new ATOM 1517 N LEU A 81 87.330 -15.159 -2.073 1.00 0.00 N ATOM 1518 CA LEU A 81 88.336 -16.193 -2.285 1.00 0.00 C ATOM 1519 C LEU A 81 87.932 -17.452 -1.538 1.00 0.00 C ATOM 1520 O LEU A 81 87.906 -18.549 -2.095 1.00 0.00 O ATOM 1521 CB LEU A 81 89.706 -15.718 -1.786 1.00 0.00 C ATOM 1522 CG LEU A 81 90.235 -14.429 -2.423 1.00 0.00 C ATOM 1523 CD1 LEU A 81 91.503 -13.971 -1.717 1.00 0.00 C ATOM 1524 CD2 LEU A 81 90.500 -14.630 -3.909 1.00 0.00 C ATOM 0 H LEU A 81 87.663 -14.353 -1.543 1.00 0.00 H new ATOM 0 HA LEU A 81 88.405 -16.403 -3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 81 89.648 -15.571 -0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 81 90.431 -16.512 -1.961 1.00 0.00 H new ATOM 0 HG LEU A 81 89.474 -13.656 -2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 81 91.867 -13.054 -2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 81 91.287 -13.784 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 81 92.265 -14.746 -1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 81 90.875 -13.702 -4.341 1.00 0.00 H new ATOM 0 HD22 LEU A 81 91.241 -15.418 -4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 81 89.574 -14.914 -4.409 1.00 0.00 H new ATOM 1536 N GLU A 82 87.606 -17.265 -0.272 1.00 0.00 N ATOM 1537 CA GLU A 82 87.140 -18.343 0.574 1.00 0.00 C ATOM 1538 C GLU A 82 85.624 -18.426 0.484 1.00 0.00 C ATOM 1539 O GLU A 82 84.945 -17.413 0.634 1.00 0.00 O ATOM 1540 CB GLU A 82 87.557 -18.085 2.021 1.00 0.00 C ATOM 1541 CG GLU A 82 89.057 -17.954 2.215 1.00 0.00 C ATOM 1542 CD GLU A 82 89.781 -19.274 2.073 1.00 0.00 C ATOM 1543 OE1 GLU A 82 89.756 -20.069 3.039 1.00 0.00 O ATOM 1544 OE2 GLU A 82 90.384 -19.516 1.009 1.00 0.00 O ATOM 0 H GLU A 82 87.658 -16.360 0.197 1.00 0.00 H new ATOM 0 HA GLU A 82 87.580 -19.283 0.242 1.00 0.00 H new ATOM 0 HB2 GLU A 82 87.074 -17.172 2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 82 87.190 -18.899 2.645 1.00 0.00 H new ATOM 0 HG2 GLU A 82 89.453 -17.247 1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 82 89.257 -17.539 3.203 1.00 0.00 H new ATOM 1551 N PRO A 83 85.078 -19.620 0.221 1.00 0.00 N ATOM 1552 CA PRO A 83 83.629 -19.816 0.095 1.00 0.00 C ATOM 1553 C PRO A 83 82.863 -19.266 1.297 1.00 0.00 C ATOM 1554 O PRO A 83 82.981 -19.784 2.410 1.00 0.00 O ATOM 1555 CB PRO A 83 83.481 -21.337 0.016 1.00 0.00 C ATOM 1556 CG PRO A 83 84.788 -21.816 -0.517 1.00 0.00 C ATOM 1557 CD PRO A 83 85.827 -20.871 0.018 1.00 0.00 C ATOM 0 HA PRO A 83 83.220 -19.290 -0.768 1.00 0.00 H new ATOM 0 HB2 PRO A 83 83.271 -21.766 0.996 1.00 0.00 H new ATOM 0 HB3 PRO A 83 82.658 -21.621 -0.639 1.00 0.00 H new ATOM 0 HG2 PRO A 83 84.989 -22.838 -0.196 1.00 0.00 H new ATOM 0 HG3 PRO A 83 84.787 -21.818 -1.607 1.00 0.00 H new ATOM 0 HD2 PRO A 83 86.260 -21.236 0.949 1.00 0.00 H new ATOM 0 HD3 PRO A 83 86.649 -20.738 -0.685 1.00 0.00 H new ATOM 1565 N GLY A 84 82.108 -18.197 1.068 1.00 0.00 N ATOM 1566 CA GLY A 84 81.313 -17.598 2.125 1.00 0.00 C ATOM 1567 C GLY A 84 82.002 -16.416 2.784 1.00 0.00 C ATOM 1568 O GLY A 84 81.368 -15.640 3.500 1.00 0.00 O ATOM 0 H GLY A 84 82.032 -17.732 0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 84 80.357 -17.272 1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 84 81.095 -18.353 2.881 1.00 0.00 H new ATOM 1572 N GLN A 85 83.290 -16.257 2.527 1.00 0.00 N ATOM 1573 CA GLN A 85 84.077 -15.224 3.183 1.00 0.00 C ATOM 1574 C GLN A 85 84.684 -14.267 2.163 1.00 0.00 C ATOM 1575 O GLN A 85 85.630 -14.613 1.448 1.00 0.00 O ATOM 1576 CB GLN A 85 85.177 -15.867 4.035 1.00 0.00 C ATOM 1577 CG GLN A 85 86.079 -14.876 4.761 1.00 0.00 C ATOM 1578 CD GLN A 85 85.331 -14.001 5.750 1.00 0.00 C ATOM 1579 OE1 GLN A 85 85.153 -14.371 6.909 1.00 0.00 O ATOM 1580 NE2 GLN A 85 84.928 -12.817 5.312 1.00 0.00 N ATOM 0 H GLN A 85 83.814 -16.831 1.867 1.00 0.00 H new ATOM 0 HA GLN A 85 83.417 -14.648 3.831 1.00 0.00 H new ATOM 0 HB2 GLN A 85 84.711 -16.522 4.772 1.00 0.00 H new ATOM 0 HB3 GLN A 85 85.794 -16.497 3.394 1.00 0.00 H new ATOM 0 HG2 GLN A 85 86.860 -15.424 5.289 1.00 0.00 H new ATOM 0 HG3 GLN A 85 86.575 -14.241 4.027 1.00 0.00 H new ATOM 0 HE21 GLN A 85 85.095 -12.548 4.342 1.00 0.00 H new ATOM 0 HE22 GLN A 85 84.451 -12.175 5.944 1.00 0.00 H new ATOM 1589 N PHE A 86 84.142 -13.059 2.101 1.00 0.00 N ATOM 1590 CA PHE A 86 84.687 -12.027 1.234 1.00 0.00 C ATOM 1591 C PHE A 86 85.977 -11.484 1.822 1.00 0.00 C ATOM 1592 O PHE A 86 86.046 -11.175 3.012 1.00 0.00 O ATOM 1593 CB PHE A 86 83.695 -10.875 1.049 1.00 0.00 C ATOM 1594 CG PHE A 86 82.499 -11.217 0.207 1.00 0.00 C ATOM 1595 CD1 PHE A 86 82.600 -11.252 -1.175 1.00 0.00 C ATOM 1596 CD2 PHE A 86 81.276 -11.489 0.794 1.00 0.00 C ATOM 1597 CE1 PHE A 86 81.501 -11.554 -1.956 1.00 0.00 C ATOM 1598 CE2 PHE A 86 80.172 -11.788 0.018 1.00 0.00 C ATOM 1599 CZ PHE A 86 80.284 -11.821 -1.357 1.00 0.00 C ATOM 0 H PHE A 86 83.326 -12.771 2.641 1.00 0.00 H new ATOM 0 HA PHE A 86 84.882 -12.478 0.261 1.00 0.00 H new ATOM 0 HB2 PHE A 86 83.352 -10.546 2.030 1.00 0.00 H new ATOM 0 HB3 PHE A 86 84.216 -10.032 0.594 1.00 0.00 H new ATOM 0 HD1 PHE A 86 83.548 -11.041 -1.647 1.00 0.00 H new ATOM 0 HD2 PHE A 86 81.183 -11.467 1.870 1.00 0.00 H new ATOM 0 HE1 PHE A 86 81.592 -11.581 -3.032 1.00 0.00 H new ATOM 0 HE2 PHE A 86 79.222 -11.996 0.488 1.00 0.00 H new ATOM 0 HZ PHE A 86 79.422 -12.055 -1.964 1.00 0.00 H new ATOM 1609 N HIS A 87 87.002 -11.390 0.996 1.00 0.00 N ATOM 1610 CA HIS A 87 88.278 -10.841 1.410 1.00 0.00 C ATOM 1611 C HIS A 87 88.528 -9.513 0.724 1.00 0.00 C ATOM 1612 O HIS A 87 88.409 -9.407 -0.498 1.00 0.00 O ATOM 1613 CB HIS A 87 89.426 -11.800 1.086 1.00 0.00 C ATOM 1614 CG HIS A 87 89.643 -12.869 2.107 1.00 0.00 C ATOM 1615 ND1 HIS A 87 90.696 -12.853 2.996 1.00 0.00 N ATOM 1616 CD2 HIS A 87 88.946 -13.995 2.376 1.00 0.00 C ATOM 1617 CE1 HIS A 87 90.640 -13.924 3.761 1.00 0.00 C ATOM 1618 NE2 HIS A 87 89.587 -14.633 3.409 1.00 0.00 N ATOM 0 H HIS A 87 86.973 -11.691 0.022 1.00 0.00 H new ATOM 0 HA HIS A 87 88.239 -10.694 2.489 1.00 0.00 H new ATOM 0 HB2 HIS A 87 89.230 -12.269 0.122 1.00 0.00 H new ATOM 0 HB3 HIS A 87 90.345 -11.224 0.979 1.00 0.00 H new ATOM 0 HD1 HIS A 87 91.408 -12.125 3.053 1.00 0.00 H new ATOM 0 HD2 HIS A 87 88.051 -14.331 1.872 1.00 0.00 H new ATOM 0 HE1 HIS A 87 91.339 -14.178 4.544 1.00 0.00 H new ATOM 1627 N PHE A 88 88.853 -8.502 1.508 1.00 0.00 N ATOM 1628 CA PHE A 88 89.286 -7.235 0.961 1.00 0.00 C ATOM 1629 C PHE A 88 90.735 -7.360 0.527 1.00 0.00 C ATOM 1630 O PHE A 88 91.620 -7.600 1.350 1.00 0.00 O ATOM 1631 CB PHE A 88 89.130 -6.111 1.986 1.00 0.00 C ATOM 1632 CG PHE A 88 87.701 -5.790 2.321 1.00 0.00 C ATOM 1633 CD1 PHE A 88 86.949 -4.981 1.484 1.00 0.00 C ATOM 1634 CD2 PHE A 88 87.114 -6.293 3.470 1.00 0.00 C ATOM 1635 CE1 PHE A 88 85.636 -4.680 1.789 1.00 0.00 C ATOM 1636 CE2 PHE A 88 85.800 -5.994 3.779 1.00 0.00 C ATOM 1637 CZ PHE A 88 85.061 -5.186 2.937 1.00 0.00 C ATOM 0 H PHE A 88 88.824 -8.536 2.527 1.00 0.00 H new ATOM 0 HA PHE A 88 88.663 -6.984 0.103 1.00 0.00 H new ATOM 0 HB2 PHE A 88 89.654 -6.390 2.900 1.00 0.00 H new ATOM 0 HB3 PHE A 88 89.614 -5.213 1.603 1.00 0.00 H new ATOM 0 HD1 PHE A 88 87.394 -4.582 0.584 1.00 0.00 H new ATOM 0 HD2 PHE A 88 87.688 -6.925 4.131 1.00 0.00 H new ATOM 0 HE1 PHE A 88 85.059 -4.049 1.129 1.00 0.00 H new ATOM 0 HE2 PHE A 88 85.352 -6.392 4.678 1.00 0.00 H new ATOM 0 HZ PHE A 88 84.035 -4.951 3.177 1.00 0.00 H new ATOM 1647 N ILE A 89 90.974 -7.215 -0.759 1.00 0.00 N ATOM 1648 CA ILE A 89 92.295 -7.434 -1.308 1.00 0.00 C ATOM 1649 C ILE A 89 92.938 -6.119 -1.715 1.00 0.00 C ATOM 1650 O ILE A 89 92.383 -5.348 -2.502 1.00 0.00 O ATOM 1651 CB ILE A 89 92.264 -8.404 -2.516 1.00 0.00 C ATOM 1652 CG1 ILE A 89 91.310 -7.895 -3.606 1.00 0.00 C ATOM 1653 CG2 ILE A 89 91.860 -9.798 -2.060 1.00 0.00 C ATOM 1654 CD1 ILE A 89 91.342 -8.715 -4.878 1.00 0.00 C ATOM 0 H ILE A 89 90.269 -6.946 -1.445 1.00 0.00 H new ATOM 0 HA ILE A 89 92.894 -7.894 -0.522 1.00 0.00 H new ATOM 0 HB ILE A 89 93.266 -8.452 -2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 89 90.293 -7.891 -3.213 1.00 0.00 H new ATOM 0 HG13 ILE A 89 91.564 -6.862 -3.844 1.00 0.00 H new ATOM 0 HG21 ILE A 89 91.842 -10.470 -2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 89 92.579 -10.164 -1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 89 90.869 -9.760 -1.608 1.00 0.00 H new ATOM 0 HD11 ILE A 89 90.642 -8.294 -5.600 1.00 0.00 H new ATOM 0 HD12 ILE A 89 92.348 -8.699 -5.296 1.00 0.00 H new ATOM 0 HD13 ILE A 89 91.058 -9.744 -4.655 1.00 0.00 H new ATOM 1666 N PHE A 90 94.098 -5.854 -1.140 1.00 0.00 N ATOM 1667 CA PHE A 90 94.864 -4.673 -1.479 1.00 0.00 C ATOM 1668 C PHE A 90 95.740 -4.964 -2.683 1.00 0.00 C ATOM 1669 O PHE A 90 96.762 -5.643 -2.569 1.00 0.00 O ATOM 1670 CB PHE A 90 95.730 -4.224 -0.296 1.00 0.00 C ATOM 1671 CG PHE A 90 94.944 -3.711 0.879 1.00 0.00 C ATOM 1672 CD1 PHE A 90 94.333 -4.587 1.763 1.00 0.00 C ATOM 1673 CD2 PHE A 90 94.823 -2.348 1.102 1.00 0.00 C ATOM 1674 CE1 PHE A 90 93.617 -4.114 2.847 1.00 0.00 C ATOM 1675 CE2 PHE A 90 94.107 -1.869 2.184 1.00 0.00 C ATOM 1676 CZ PHE A 90 93.503 -2.753 3.056 1.00 0.00 C ATOM 0 H PHE A 90 94.530 -6.447 -0.432 1.00 0.00 H new ATOM 0 HA PHE A 90 94.172 -3.866 -1.718 1.00 0.00 H new ATOM 0 HB2 PHE A 90 96.345 -5.063 0.030 1.00 0.00 H new ATOM 0 HB3 PHE A 90 96.411 -3.442 -0.634 1.00 0.00 H new ATOM 0 HD1 PHE A 90 94.417 -5.652 1.603 1.00 0.00 H new ATOM 0 HD2 PHE A 90 95.293 -1.652 0.423 1.00 0.00 H new ATOM 0 HE1 PHE A 90 93.148 -4.807 3.529 1.00 0.00 H new ATOM 0 HE2 PHE A 90 94.020 -0.805 2.347 1.00 0.00 H new ATOM 0 HZ PHE A 90 92.942 -2.381 3.901 1.00 0.00 H new ATOM 1686 N LEU A 91 95.311 -4.488 -3.840 1.00 0.00 N ATOM 1687 CA LEU A 91 96.070 -4.660 -5.065 1.00 0.00 C ATOM 1688 C LEU A 91 97.265 -3.728 -5.054 1.00 0.00 C ATOM 1689 O LEU A 91 97.207 -2.596 -5.538 1.00 0.00 O ATOM 1690 CB LEU A 91 95.184 -4.411 -6.282 1.00 0.00 C ATOM 1691 CG LEU A 91 93.916 -5.260 -6.316 1.00 0.00 C ATOM 1692 CD1 LEU A 91 93.021 -4.849 -7.474 1.00 0.00 C ATOM 1693 CD2 LEU A 91 94.257 -6.740 -6.406 1.00 0.00 C ATOM 0 H LEU A 91 94.436 -3.977 -3.955 1.00 0.00 H new ATOM 0 HA LEU A 91 96.431 -5.687 -5.127 1.00 0.00 H new ATOM 0 HB2 LEU A 91 94.904 -3.358 -6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 91 95.763 -4.606 -7.185 1.00 0.00 H new ATOM 0 HG LEU A 91 93.373 -5.090 -5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 91 92.124 -5.468 -7.478 1.00 0.00 H new ATOM 0 HD12 LEU A 91 92.739 -3.802 -7.362 1.00 0.00 H new ATOM 0 HD13 LEU A 91 93.557 -4.982 -8.413 1.00 0.00 H new ATOM 0 HD21 LEU A 91 93.337 -7.325 -6.429 1.00 0.00 H new ATOM 0 HD22 LEU A 91 94.829 -6.927 -7.315 1.00 0.00 H new ATOM 0 HD23 LEU A 91 94.850 -7.030 -5.539 1.00 0.00 H new ATOM 1705 N ASN A 92 98.320 -4.212 -4.437 1.00 0.00 N ATOM 1706 CA ASN A 92 99.547 -3.457 -4.253 1.00 0.00 C ATOM 1707 C ASN A 92 100.513 -3.732 -5.398 1.00 0.00 C ATOM 1708 O ASN A 92 100.835 -4.880 -5.682 1.00 0.00 O ATOM 1709 CB ASN A 92 100.166 -3.833 -2.893 1.00 0.00 C ATOM 1710 CG ASN A 92 101.565 -3.282 -2.667 1.00 0.00 C ATOM 1711 OD1 ASN A 92 101.961 -2.271 -3.244 1.00 0.00 O ATOM 1712 ND2 ASN A 92 102.318 -3.941 -1.797 1.00 0.00 N ATOM 0 H ASN A 92 98.354 -5.152 -4.043 1.00 0.00 H new ATOM 0 HA ASN A 92 99.331 -2.389 -4.258 1.00 0.00 H new ATOM 0 HB2 ASN A 92 99.513 -3.472 -2.098 1.00 0.00 H new ATOM 0 HB3 ASN A 92 100.199 -4.919 -2.810 1.00 0.00 H new ATOM 0 HD21 ASN A 92 103.261 -3.613 -1.587 1.00 0.00 H new ATOM 0 HD22 ASN A 92 101.955 -4.776 -1.338 1.00 0.00 H new