USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 679 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 65 HIS : no HD1:sc= -0.485 X(o=-0.49,f=-0.052) USER MOD Set 1.2: A 87 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 62 GLN : amide:sc= -1.42 K(o=-2.9,f=-3.6) USER MOD Set 2.2: A 103 THR OG1 : rot 180:sc= -1.5 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.208 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 43 SER OG : rot 180:sc= -0.591 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 55 ASN : amide:sc= -0.76 X(o=-0.76,f=-0.84) USER MOD Single : A 61 TYR OH : rot 30:sc= 0 USER MOD Single : A 64 THR OG1 : rot 39:sc= -1.32! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 88 THR OG1 : rot 180:sc=-0.00716 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 30:sc= -0.44 USER MOD Single : A 98 TYR OH : rot 180:sc= 0.778 USER MOD Single : A 105 GLN : amide:sc= -0.103 K(o=-0.1,f=-0.94) USER MOD Single : A 106 THR OG1 : rot 120:sc= -1.28 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 145:sc= 1.23 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 350 N VAL A 27 13.899 9.401 -1.664 1.00 0.00 N ATOM 351 CA VAL A 27 12.845 8.416 -1.840 1.00 0.00 C ATOM 352 C VAL A 27 12.895 7.873 -3.270 1.00 0.00 C ATOM 353 O VAL A 27 13.451 8.512 -4.162 1.00 0.00 O ATOM 354 CB VAL A 27 11.490 9.030 -1.481 1.00 0.00 C ATOM 355 CG1 VAL A 27 11.360 9.225 0.031 1.00 0.00 C ATOM 356 CG2 VAL A 27 11.271 10.349 -2.225 1.00 0.00 C ATOM 0 HA VAL A 27 12.994 7.572 -1.166 1.00 0.00 H new ATOM 0 HB VAL A 27 10.713 8.334 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.388 9.663 0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.450 8.261 0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.149 9.891 0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.301 10.764 -1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.057 11.054 -1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.299 10.170 -3.300 1.00 0.00 H new ATOM 366 N PRO A 28 12.292 6.667 -3.447 1.00 0.00 N ATOM 367 CA PRO A 28 12.262 6.030 -4.753 1.00 0.00 C ATOM 368 C PRO A 28 11.248 6.713 -5.673 1.00 0.00 C ATOM 369 O PRO A 28 10.583 7.667 -5.271 1.00 0.00 O ATOM 370 CB PRO A 28 11.925 4.575 -4.473 1.00 0.00 C ATOM 371 CG PRO A 28 11.323 4.547 -3.078 1.00 0.00 C ATOM 372 CD PRO A 28 11.624 5.881 -2.414 1.00 0.00 C ATOM 0 HA PRO A 28 13.211 6.110 -5.282 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.221 4.189 -5.210 1.00 0.00 H new ATOM 0 HB3 PRO A 28 12.817 3.950 -4.526 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.247 4.380 -3.130 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.745 3.727 -2.496 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.711 6.369 -2.074 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.262 5.753 -1.539 1.00 0.00 H new ATOM 380 N GLY A 29 11.161 6.197 -6.891 1.00 0.00 N ATOM 381 CA GLY A 29 10.239 6.745 -7.871 1.00 0.00 C ATOM 382 C GLY A 29 8.934 5.946 -7.903 1.00 0.00 C ATOM 383 O GLY A 29 8.711 5.081 -7.058 1.00 0.00 O ATOM 0 H GLY A 29 11.714 5.406 -7.221 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.026 7.787 -7.632 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.702 6.732 -8.858 1.00 0.00 H new ATOM 387 N PRO A 30 8.085 6.273 -8.914 1.00 0.00 N ATOM 388 CA PRO A 30 6.809 5.595 -9.068 1.00 0.00 C ATOM 389 C PRO A 30 7.000 4.188 -9.637 1.00 0.00 C ATOM 390 O PRO A 30 7.790 3.989 -10.558 1.00 0.00 O ATOM 391 CB PRO A 30 5.992 6.498 -9.978 1.00 0.00 C ATOM 392 CG PRO A 30 6.993 7.407 -10.672 1.00 0.00 C ATOM 393 CD PRO A 30 8.317 7.292 -9.934 1.00 0.00 C ATOM 0 HA PRO A 30 6.297 5.440 -8.118 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.427 5.913 -10.704 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.269 7.079 -9.405 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.112 7.117 -11.716 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.641 8.438 -10.665 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.122 7.001 -10.608 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.604 8.243 -9.486 1.00 0.00 H new ATOM 401 N PRO A 31 6.243 3.223 -9.049 1.00 0.00 N ATOM 402 CA PRO A 31 6.322 1.840 -9.487 1.00 0.00 C ATOM 403 C PRO A 31 5.596 1.645 -10.820 1.00 0.00 C ATOM 404 O PRO A 31 4.370 1.728 -10.882 1.00 0.00 O ATOM 405 CB PRO A 31 5.709 1.033 -8.354 1.00 0.00 C ATOM 406 CG PRO A 31 4.893 2.018 -7.534 1.00 0.00 C ATOM 407 CD PRO A 31 5.297 3.422 -7.955 1.00 0.00 C ATOM 0 HA PRO A 31 7.345 1.518 -9.680 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.080 0.232 -8.741 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.482 0.565 -7.745 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.827 1.862 -7.700 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.075 1.871 -6.469 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.433 4.002 -8.279 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.755 3.967 -7.129 1.00 0.00 H new ATOM 415 N MET A 32 6.384 1.390 -11.854 1.00 0.00 N ATOM 416 CA MET A 32 5.831 1.183 -13.182 1.00 0.00 C ATOM 417 C MET A 32 5.530 -0.297 -13.426 1.00 0.00 C ATOM 418 O MET A 32 6.058 -1.164 -12.732 1.00 0.00 O ATOM 419 CB MET A 32 6.827 1.681 -14.233 1.00 0.00 C ATOM 420 CG MET A 32 8.179 0.982 -14.081 1.00 0.00 C ATOM 421 SD MET A 32 9.145 1.194 -15.567 1.00 0.00 S ATOM 422 CE MET A 32 10.763 0.760 -14.949 1.00 0.00 C ATOM 0 H MET A 32 7.400 1.322 -11.799 1.00 0.00 H new ATOM 0 HA MET A 32 4.898 1.742 -13.258 1.00 0.00 H new ATOM 0 HB2 MET A 32 6.429 1.499 -15.231 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.957 2.759 -14.134 1.00 0.00 H new ATOM 0 HG2 MET A 32 8.716 1.393 -13.226 1.00 0.00 H new ATOM 0 HG3 MET A 32 8.029 -0.079 -13.883 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.493 0.839 -15.754 1.00 0.00 H new ATOM 0 HE2 MET A 32 11.038 1.438 -14.141 1.00 0.00 H new ATOM 0 HE3 MET A 32 10.747 -0.263 -14.574 1.00 0.00 H new ATOM 432 N GLY A 33 4.682 -0.540 -14.414 1.00 0.00 N ATOM 433 CA GLY A 33 4.303 -1.900 -14.758 1.00 0.00 C ATOM 434 C GLY A 33 3.105 -2.363 -13.927 1.00 0.00 C ATOM 435 O GLY A 33 3.142 -3.433 -13.321 1.00 0.00 O ATOM 0 H GLY A 33 4.246 0.182 -14.988 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.057 -1.956 -15.819 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.147 -2.570 -14.591 1.00 0.00 H new ATOM 439 N ILE A 34 2.072 -1.535 -13.924 1.00 0.00 N ATOM 440 CA ILE A 34 0.865 -1.846 -13.176 1.00 0.00 C ATOM 441 C ILE A 34 -0.149 -2.511 -14.108 1.00 0.00 C ATOM 442 O ILE A 34 -0.513 -1.949 -15.140 1.00 0.00 O ATOM 443 CB ILE A 34 0.330 -0.594 -12.478 1.00 0.00 C ATOM 444 CG1 ILE A 34 1.474 0.246 -11.905 1.00 0.00 C ATOM 445 CG2 ILE A 34 -0.702 -0.961 -11.410 1.00 0.00 C ATOM 446 CD1 ILE A 34 2.386 -0.603 -11.019 1.00 0.00 C ATOM 0 H ILE A 34 2.045 -0.648 -14.428 1.00 0.00 H new ATOM 0 HA ILE A 34 1.082 -2.558 -12.380 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.179 0.020 -13.221 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.054 0.681 -12.719 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.067 1.075 -11.326 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.066 -0.053 -10.929 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.537 -1.485 -11.875 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.239 -1.606 -10.663 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.191 0.018 -10.625 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.808 -1.016 -10.192 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.811 -1.416 -11.608 1.00 0.00 H new ATOM 458 N LEU A 35 -0.578 -3.701 -13.711 1.00 0.00 N ATOM 459 CA LEU A 35 -1.544 -4.449 -14.498 1.00 0.00 C ATOM 460 C LEU A 35 -2.431 -5.271 -13.561 1.00 0.00 C ATOM 461 O LEU A 35 -2.000 -5.663 -12.478 1.00 0.00 O ATOM 462 CB LEU A 35 -0.833 -5.286 -15.564 1.00 0.00 C ATOM 463 CG LEU A 35 -0.106 -4.502 -16.658 1.00 0.00 C ATOM 464 CD1 LEU A 35 0.686 -5.440 -17.571 1.00 0.00 C ATOM 465 CD2 LEU A 35 -1.083 -3.626 -17.446 1.00 0.00 C ATOM 0 H LEU A 35 -0.274 -4.165 -12.855 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.199 -3.770 -15.044 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.110 -5.933 -15.067 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.569 -5.935 -16.038 1.00 0.00 H new ATOM 0 HG LEU A 35 0.612 -3.835 -16.180 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.193 -4.857 -18.340 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.424 -5.984 -16.982 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.005 -6.149 -18.043 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.541 -3.079 -18.217 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.841 -4.255 -17.912 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.564 -2.919 -16.770 1.00 0.00 H new ATOM 477 N PHE A 36 -3.654 -5.508 -14.013 1.00 0.00 N ATOM 478 CA PHE A 36 -4.605 -6.276 -13.228 1.00 0.00 C ATOM 479 C PHE A 36 -4.954 -7.593 -13.925 1.00 0.00 C ATOM 480 O PHE A 36 -5.882 -7.645 -14.732 1.00 0.00 O ATOM 481 CB PHE A 36 -5.872 -5.427 -13.104 1.00 0.00 C ATOM 482 CG PHE A 36 -5.725 -4.223 -12.172 1.00 0.00 C ATOM 483 CD1 PHE A 36 -5.941 -4.367 -10.837 1.00 0.00 C ATOM 484 CD2 PHE A 36 -5.379 -3.009 -12.678 1.00 0.00 C ATOM 485 CE1 PHE A 36 -5.805 -3.249 -9.971 1.00 0.00 C ATOM 486 CE2 PHE A 36 -5.242 -1.892 -11.812 1.00 0.00 C ATOM 487 CZ PHE A 36 -5.458 -2.035 -10.477 1.00 0.00 C ATOM 0 H PHE A 36 -4.008 -5.182 -14.912 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.178 -6.513 -12.254 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.159 -5.074 -14.095 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.685 -6.057 -12.742 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.216 -5.331 -10.435 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.208 -2.894 -13.738 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.977 -3.363 -8.911 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.966 -0.928 -12.214 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.354 -1.185 -9.819 1.00 0.00 H new ATOM 497 N PRO A 37 -4.173 -8.651 -13.580 1.00 0.00 N ATOM 498 CA PRO A 37 -4.390 -9.963 -14.164 1.00 0.00 C ATOM 499 C PRO A 37 -5.625 -10.634 -13.560 1.00 0.00 C ATOM 500 O PRO A 37 -6.483 -11.133 -14.287 1.00 0.00 O ATOM 501 CB PRO A 37 -3.106 -10.731 -13.895 1.00 0.00 C ATOM 502 CG PRO A 37 -2.402 -9.985 -12.773 1.00 0.00 C ATOM 503 CD PRO A 37 -3.066 -8.625 -12.629 1.00 0.00 C ATOM 0 HA PRO A 37 -4.595 -9.919 -15.234 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.320 -11.760 -13.606 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.482 -10.774 -14.788 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.472 -10.544 -11.840 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.342 -9.870 -12.997 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.422 -8.464 -11.611 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.369 -7.818 -12.855 1.00 0.00 H new ATOM 511 N GLU A 38 -5.677 -10.625 -12.236 1.00 0.00 N ATOM 512 CA GLU A 38 -6.793 -11.227 -11.526 1.00 0.00 C ATOM 513 C GLU A 38 -7.601 -10.150 -10.799 1.00 0.00 C ATOM 514 O GLU A 38 -7.084 -9.474 -9.911 1.00 0.00 O ATOM 515 CB GLU A 38 -6.307 -12.301 -10.550 1.00 0.00 C ATOM 516 CG GLU A 38 -7.383 -12.624 -9.511 1.00 0.00 C ATOM 517 CD GLU A 38 -6.892 -13.689 -8.528 1.00 0.00 C ATOM 518 OE1 GLU A 38 -6.170 -13.300 -7.585 1.00 0.00 O ATOM 519 OE2 GLU A 38 -7.251 -14.867 -8.742 1.00 0.00 O ATOM 0 H GLU A 38 -4.964 -10.210 -11.636 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.443 -11.712 -12.254 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.044 -13.205 -11.100 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.402 -11.959 -10.048 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.652 -11.718 -8.967 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.285 -12.975 -10.013 1.00 0.00 H new ATOM 526 N VAL A 39 -8.857 -10.026 -11.202 1.00 0.00 N ATOM 527 CA VAL A 39 -9.742 -9.043 -10.599 1.00 0.00 C ATOM 528 C VAL A 39 -11.141 -9.645 -10.454 1.00 0.00 C ATOM 529 O VAL A 39 -11.735 -10.088 -11.436 1.00 0.00 O ATOM 530 CB VAL A 39 -9.729 -7.753 -11.422 1.00 0.00 C ATOM 531 CG1 VAL A 39 -10.808 -6.783 -10.937 1.00 0.00 C ATOM 532 CG2 VAL A 39 -8.347 -7.097 -11.389 1.00 0.00 C ATOM 0 H VAL A 39 -9.283 -10.589 -11.938 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.396 -8.779 -9.600 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.953 -8.012 -12.457 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -10.777 -5.874 -11.538 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.788 -7.250 -11.035 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.629 -6.532 -9.892 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.364 -6.182 -11.981 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.082 -6.857 -10.359 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.608 -7.783 -11.803 1.00 0.00 H new ATOM 542 N ARG A 40 -11.627 -9.641 -9.221 1.00 0.00 N ATOM 543 CA ARG A 40 -12.945 -10.181 -8.935 1.00 0.00 C ATOM 544 C ARG A 40 -13.886 -9.067 -8.469 1.00 0.00 C ATOM 545 O ARG A 40 -13.552 -7.887 -8.566 1.00 0.00 O ATOM 546 CB ARG A 40 -12.875 -11.263 -7.856 1.00 0.00 C ATOM 547 CG ARG A 40 -11.673 -12.184 -8.081 1.00 0.00 C ATOM 548 CD ARG A 40 -11.764 -12.882 -9.439 1.00 0.00 C ATOM 549 NE ARG A 40 -10.762 -13.968 -9.518 1.00 0.00 N ATOM 550 CZ ARG A 40 -10.808 -15.088 -8.784 1.00 0.00 C ATOM 551 NH1 ARG A 40 -11.807 -15.276 -7.911 1.00 0.00 N ATOM 552 NH2 ARG A 40 -9.855 -16.019 -8.922 1.00 0.00 N ATOM 0 H ARG A 40 -11.132 -9.272 -8.409 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.328 -10.624 -9.854 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.802 -10.797 -6.873 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.794 -11.849 -7.864 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.751 -11.605 -8.027 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.628 -12.930 -7.287 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.765 -13.289 -9.582 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.595 -12.162 -10.239 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.988 -13.857 -10.172 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.532 -14.567 -7.805 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.842 -16.129 -7.352 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.094 -15.875 -9.586 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.890 -16.872 -8.363 1.00 0.00 H new ATOM 566 N THR A 41 -15.042 -9.481 -7.973 1.00 0.00 N ATOM 567 CA THR A 41 -16.033 -8.534 -7.492 1.00 0.00 C ATOM 568 C THR A 41 -15.559 -7.881 -6.192 1.00 0.00 C ATOM 569 O THR A 41 -15.040 -6.765 -6.207 1.00 0.00 O ATOM 570 CB THR A 41 -17.365 -9.273 -7.351 1.00 0.00 C ATOM 571 OG1 THR A 41 -16.988 -10.616 -7.060 1.00 0.00 O ATOM 572 CG2 THR A 41 -18.121 -9.376 -8.677 1.00 0.00 C ATOM 0 H THR A 41 -15.315 -10.461 -7.894 1.00 0.00 H new ATOM 0 HA THR A 41 -16.173 -7.715 -8.198 1.00 0.00 H new ATOM 0 HB THR A 41 -17.988 -8.761 -6.618 1.00 0.00 H new ATOM 0 HG1 THR A 41 -17.792 -11.165 -6.951 1.00 0.00 H new ATOM 0 HG21 THR A 41 -19.059 -9.909 -8.521 1.00 0.00 H new ATOM 0 HG22 THR A 41 -18.331 -8.375 -9.055 1.00 0.00 H new ATOM 0 HG23 THR A 41 -17.513 -9.917 -9.402 1.00 0.00 H new ATOM 580 N THR A 42 -15.754 -8.604 -5.099 1.00 0.00 N ATOM 581 CA THR A 42 -15.353 -8.109 -3.793 1.00 0.00 C ATOM 582 C THR A 42 -13.908 -8.509 -3.492 1.00 0.00 C ATOM 583 O THR A 42 -13.552 -8.743 -2.338 1.00 0.00 O ATOM 584 CB THR A 42 -16.356 -8.630 -2.762 1.00 0.00 C ATOM 585 OG1 THR A 42 -16.256 -10.048 -2.866 1.00 0.00 O ATOM 586 CG2 THR A 42 -17.805 -8.329 -3.150 1.00 0.00 C ATOM 0 H THR A 42 -16.184 -9.529 -5.091 1.00 0.00 H new ATOM 0 HA THR A 42 -15.368 -7.020 -3.761 1.00 0.00 H new ATOM 0 HB THR A 42 -16.141 -8.186 -1.790 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.873 -10.467 -2.230 1.00 0.00 H new ATOM 0 HG21 THR A 42 -18.475 -8.720 -2.385 1.00 0.00 H new ATOM 0 HG22 THR A 42 -17.942 -7.251 -3.236 1.00 0.00 H new ATOM 0 HG23 THR A 42 -18.031 -8.801 -4.106 1.00 0.00 H new ATOM 594 N SER A 43 -13.113 -8.576 -4.550 1.00 0.00 N ATOM 595 CA SER A 43 -11.714 -8.944 -4.413 1.00 0.00 C ATOM 596 C SER A 43 -11.005 -8.817 -5.763 1.00 0.00 C ATOM 597 O SER A 43 -11.629 -8.969 -6.812 1.00 0.00 O ATOM 598 CB SER A 43 -11.570 -10.367 -3.869 1.00 0.00 C ATOM 599 OG SER A 43 -12.228 -11.323 -4.695 1.00 0.00 O ATOM 0 H SER A 43 -13.411 -8.382 -5.506 1.00 0.00 H new ATOM 0 HA SER A 43 -11.249 -8.263 -3.700 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.513 -10.621 -3.792 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.983 -10.413 -2.861 1.00 0.00 H new ATOM 0 HG SER A 43 -12.112 -12.219 -4.315 1.00 0.00 H new ATOM 605 N VAL A 44 -9.712 -8.540 -5.692 1.00 0.00 N ATOM 606 CA VAL A 44 -8.911 -8.391 -6.895 1.00 0.00 C ATOM 607 C VAL A 44 -7.453 -8.729 -6.578 1.00 0.00 C ATOM 608 O VAL A 44 -7.117 -9.032 -5.434 1.00 0.00 O ATOM 609 CB VAL A 44 -9.087 -6.984 -7.470 1.00 0.00 C ATOM 610 CG1 VAL A 44 -10.569 -6.617 -7.579 1.00 0.00 C ATOM 611 CG2 VAL A 44 -8.327 -5.951 -6.635 1.00 0.00 C ATOM 0 H VAL A 44 -9.198 -8.415 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.246 -9.087 -7.665 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.665 -6.978 -8.475 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.666 -5.612 -7.990 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.073 -7.328 -8.234 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.026 -6.649 -6.590 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.469 -4.960 -7.065 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.705 -5.960 -5.613 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.265 -6.196 -6.631 1.00 0.00 H new ATOM 621 N ARG A 45 -6.626 -8.665 -7.611 1.00 0.00 N ATOM 622 CA ARG A 45 -5.212 -8.961 -7.457 1.00 0.00 C ATOM 623 C ARG A 45 -4.413 -8.349 -8.610 1.00 0.00 C ATOM 624 O ARG A 45 -4.425 -8.871 -9.723 1.00 0.00 O ATOM 625 CB ARG A 45 -4.966 -10.470 -7.420 1.00 0.00 C ATOM 626 CG ARG A 45 -3.483 -10.779 -7.201 1.00 0.00 C ATOM 627 CD ARG A 45 -3.097 -12.106 -7.856 1.00 0.00 C ATOM 628 NE ARG A 45 -3.194 -13.205 -6.869 1.00 0.00 N ATOM 629 CZ ARG A 45 -2.270 -13.457 -5.932 1.00 0.00 C ATOM 630 NH1 ARG A 45 -1.174 -12.690 -5.848 1.00 0.00 N ATOM 631 NH2 ARG A 45 -2.441 -14.475 -5.078 1.00 0.00 N ATOM 0 H ARG A 45 -6.908 -8.412 -8.558 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.884 -8.528 -6.512 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.556 -10.919 -6.621 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.301 -10.920 -8.355 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.875 -9.975 -7.615 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.271 -10.821 -6.133 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.753 -12.308 -8.703 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.081 -12.046 -8.247 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.016 -13.808 -6.904 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.043 -11.914 -6.497 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.471 -12.882 -5.135 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.275 -15.059 -5.141 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.737 -14.666 -4.365 1.00 0.00 H new ATOM 645 N LEU A 46 -3.738 -7.251 -8.302 1.00 0.00 N ATOM 646 CA LEU A 46 -2.935 -6.563 -9.299 1.00 0.00 C ATOM 647 C LEU A 46 -1.455 -6.857 -9.047 1.00 0.00 C ATOM 648 O LEU A 46 -1.099 -7.431 -8.019 1.00 0.00 O ATOM 649 CB LEU A 46 -3.270 -5.070 -9.319 1.00 0.00 C ATOM 650 CG LEU A 46 -2.380 -4.171 -8.459 1.00 0.00 C ATOM 651 CD1 LEU A 46 -2.414 -2.726 -8.960 1.00 0.00 C ATOM 652 CD2 LEU A 46 -2.762 -4.274 -6.981 1.00 0.00 C ATOM 0 H LEU A 46 -3.731 -6.821 -7.377 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.169 -6.933 -10.297 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.218 -4.720 -10.350 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.302 -4.945 -8.992 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.351 -4.520 -8.551 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.773 -2.108 -8.331 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.057 -2.689 -9.989 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.436 -2.350 -8.917 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.114 -3.625 -6.392 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.799 -3.966 -6.851 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.645 -5.305 -6.646 1.00 0.00 H new ATOM 664 N ILE A 47 -0.632 -6.451 -10.003 1.00 0.00 N ATOM 665 CA ILE A 47 0.801 -6.663 -9.897 1.00 0.00 C ATOM 666 C ILE A 47 1.535 -5.404 -10.361 1.00 0.00 C ATOM 667 O ILE A 47 1.023 -4.651 -11.188 1.00 0.00 O ATOM 668 CB ILE A 47 1.212 -7.928 -10.654 1.00 0.00 C ATOM 669 CG1 ILE A 47 1.369 -7.645 -12.150 1.00 0.00 C ATOM 670 CG2 ILE A 47 0.230 -9.071 -10.387 1.00 0.00 C ATOM 671 CD1 ILE A 47 0.023 -7.288 -12.784 1.00 0.00 C ATOM 0 H ILE A 47 -0.931 -5.976 -10.855 1.00 0.00 H new ATOM 0 HA ILE A 47 1.085 -6.833 -8.858 1.00 0.00 H new ATOM 0 HB ILE A 47 2.186 -8.247 -10.282 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.073 -6.826 -12.297 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.789 -8.519 -12.647 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.545 -9.958 -10.937 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.212 -9.293 -9.320 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.768 -8.777 -10.714 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.162 -7.092 -13.847 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.671 -8.119 -12.656 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.382 -6.399 -12.301 1.00 0.00 H new ATOM 683 N TRP A 48 2.723 -5.212 -9.807 1.00 0.00 N ATOM 684 CA TRP A 48 3.533 -4.056 -10.153 1.00 0.00 C ATOM 685 C TRP A 48 4.999 -4.492 -10.166 1.00 0.00 C ATOM 686 O TRP A 48 5.300 -5.675 -10.009 1.00 0.00 O ATOM 687 CB TRP A 48 3.264 -2.892 -9.197 1.00 0.00 C ATOM 688 CG TRP A 48 3.771 -3.127 -7.773 1.00 0.00 C ATOM 689 CD1 TRP A 48 4.904 -2.677 -7.216 1.00 0.00 C ATOM 690 CD2 TRP A 48 3.113 -3.890 -6.740 1.00 0.00 C ATOM 691 NE1 TRP A 48 5.025 -3.093 -5.906 1.00 0.00 N ATOM 692 CE2 TRP A 48 3.901 -3.855 -5.607 1.00 0.00 C ATOM 693 CE3 TRP A 48 1.893 -4.589 -6.762 1.00 0.00 C ATOM 694 CZ2 TRP A 48 3.555 -4.498 -4.413 1.00 0.00 C ATOM 695 CZ3 TRP A 48 1.562 -5.226 -5.561 1.00 0.00 C ATOM 696 CH2 TRP A 48 2.344 -5.200 -4.412 1.00 0.00 C ATOM 0 H TRP A 48 3.144 -5.838 -9.121 1.00 0.00 H new ATOM 0 HA TRP A 48 3.272 -3.685 -11.144 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.733 -1.992 -9.595 1.00 0.00 H new ATOM 0 HB3 TRP A 48 2.191 -2.703 -9.163 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.631 -2.065 -7.729 1.00 0.00 H new ATOM 0 HE1 TRP A 48 5.797 -2.881 -5.274 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.261 -4.631 -7.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.188 -4.455 -3.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.634 -5.777 -5.524 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.019 -5.719 -3.523 1.00 0.00 H new ATOM 707 N GLN A 49 5.873 -3.514 -10.353 1.00 0.00 N ATOM 708 CA GLN A 49 7.300 -3.783 -10.389 1.00 0.00 C ATOM 709 C GLN A 49 8.067 -2.671 -9.669 1.00 0.00 C ATOM 710 O GLN A 49 7.538 -1.580 -9.463 1.00 0.00 O ATOM 711 CB GLN A 49 7.792 -3.945 -11.828 1.00 0.00 C ATOM 712 CG GLN A 49 7.551 -5.369 -12.333 1.00 0.00 C ATOM 713 CD GLN A 49 8.267 -5.608 -13.663 1.00 0.00 C ATOM 714 OE1 GLN A 49 9.478 -5.738 -13.731 1.00 0.00 O ATOM 715 NE2 GLN A 49 7.454 -5.659 -14.715 1.00 0.00 N ATOM 0 H GLN A 49 5.620 -2.534 -10.481 1.00 0.00 H new ATOM 0 HA GLN A 49 7.486 -4.723 -9.869 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.277 -3.234 -12.474 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.855 -3.712 -11.881 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.904 -6.086 -11.592 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.481 -5.539 -12.456 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.449 -5.542 -14.589 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.836 -5.815 -15.648 1.00 0.00 H new ATOM 724 N PRO A 50 9.335 -2.995 -9.297 1.00 0.00 N ATOM 725 CA PRO A 50 10.180 -2.037 -8.606 1.00 0.00 C ATOM 726 C PRO A 50 10.699 -0.967 -9.569 1.00 0.00 C ATOM 727 O PRO A 50 10.871 -1.229 -10.758 1.00 0.00 O ATOM 728 CB PRO A 50 11.291 -2.868 -7.986 1.00 0.00 C ATOM 729 CG PRO A 50 11.290 -4.190 -8.735 1.00 0.00 C ATOM 730 CD PRO A 50 9.994 -4.277 -9.525 1.00 0.00 C ATOM 0 HA PRO A 50 9.643 -1.479 -7.839 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.254 -2.366 -8.081 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.116 -3.022 -6.921 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.149 -4.251 -9.403 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.369 -5.024 -8.038 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.187 -4.440 -10.585 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.376 -5.107 -9.182 1.00 0.00 H new ATOM 738 N PRO A 51 10.939 0.247 -9.005 1.00 0.00 N ATOM 739 CA PRO A 51 11.435 1.357 -9.801 1.00 0.00 C ATOM 740 C PRO A 51 12.918 1.177 -10.129 1.00 0.00 C ATOM 741 O PRO A 51 13.753 1.104 -9.228 1.00 0.00 O ATOM 742 CB PRO A 51 11.158 2.595 -8.964 1.00 0.00 C ATOM 743 CG PRO A 51 10.945 2.099 -7.543 1.00 0.00 C ATOM 744 CD PRO A 51 10.746 0.593 -7.600 1.00 0.00 C ATOM 0 HA PRO A 51 10.945 1.431 -10.772 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.993 3.294 -9.013 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.278 3.124 -9.329 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.804 2.347 -6.919 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.076 2.582 -7.096 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.462 0.074 -6.962 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.751 0.312 -7.256 1.00 0.00 H new ATOM 752 N ALA A 52 13.202 1.109 -11.421 1.00 0.00 N ATOM 753 CA ALA A 52 14.570 0.939 -11.880 1.00 0.00 C ATOM 754 C ALA A 52 15.493 1.847 -11.064 1.00 0.00 C ATOM 755 O ALA A 52 16.667 1.534 -10.873 1.00 0.00 O ATOM 756 CB ALA A 52 14.646 1.228 -13.380 1.00 0.00 C ATOM 0 H ALA A 52 12.507 1.169 -12.165 1.00 0.00 H new ATOM 0 HA ALA A 52 14.900 -0.089 -11.730 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.673 1.100 -13.724 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.995 0.538 -13.917 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.325 2.252 -13.570 1.00 0.00 H new ATOM 762 N ALA A 53 14.927 2.954 -10.605 1.00 0.00 N ATOM 763 CA ALA A 53 15.685 3.909 -9.815 1.00 0.00 C ATOM 764 C ALA A 53 15.082 3.995 -8.411 1.00 0.00 C ATOM 765 O ALA A 53 14.249 4.859 -8.141 1.00 0.00 O ATOM 766 CB ALA A 53 15.700 5.263 -10.527 1.00 0.00 C ATOM 0 H ALA A 53 13.953 3.210 -10.765 1.00 0.00 H new ATOM 0 HA ALA A 53 16.720 3.585 -9.710 1.00 0.00 H new ATOM 0 HB1 ALA A 53 16.269 5.979 -9.934 1.00 0.00 H new ATOM 0 HB2 ALA A 53 16.164 5.154 -11.507 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.678 5.622 -10.648 1.00 0.00 H new ATOM 772 N PRO A 54 15.537 3.063 -7.532 1.00 0.00 N ATOM 773 CA PRO A 54 15.052 3.025 -6.163 1.00 0.00 C ATOM 774 C PRO A 54 15.662 4.156 -5.333 1.00 0.00 C ATOM 775 O PRO A 54 14.998 4.725 -4.468 1.00 0.00 O ATOM 776 CB PRO A 54 15.426 1.644 -5.651 1.00 0.00 C ATOM 777 CG PRO A 54 16.509 1.132 -6.586 1.00 0.00 C ATOM 778 CD PRO A 54 16.522 2.024 -7.816 1.00 0.00 C ATOM 0 HA PRO A 54 13.976 3.183 -6.094 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.788 1.693 -4.624 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.562 0.979 -5.653 1.00 0.00 H new ATOM 0 HG2 PRO A 54 17.480 1.150 -6.091 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.313 0.097 -6.867 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.511 2.451 -7.985 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.259 1.464 -8.714 1.00 0.00 H new ATOM 786 N ASN A 55 16.921 4.449 -5.626 1.00 0.00 N ATOM 787 CA ASN A 55 17.629 5.502 -4.918 1.00 0.00 C ATOM 788 C ASN A 55 17.377 5.359 -3.416 1.00 0.00 C ATOM 789 O ASN A 55 17.118 6.346 -2.730 1.00 0.00 O ATOM 790 CB ASN A 55 17.136 6.884 -5.351 1.00 0.00 C ATOM 791 CG ASN A 55 16.780 6.898 -6.839 1.00 0.00 C ATOM 792 OD1 ASN A 55 17.633 6.829 -7.708 1.00 0.00 O ATOM 793 ND2 ASN A 55 15.476 6.993 -7.082 1.00 0.00 N ATOM 0 H ASN A 55 17.469 3.975 -6.344 1.00 0.00 H new ATOM 0 HA ASN A 55 18.690 5.409 -5.149 1.00 0.00 H new ATOM 0 HB2 ASN A 55 16.263 7.163 -4.762 1.00 0.00 H new ATOM 0 HB3 ASN A 55 17.907 7.628 -5.151 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.136 7.012 -8.044 1.00 0.00 H new ATOM 0 HD22 ASN A 55 14.815 7.047 -6.307 1.00 0.00 H new ATOM 800 N GLY A 56 17.461 4.122 -2.949 1.00 0.00 N ATOM 801 CA GLY A 56 17.246 3.837 -1.541 1.00 0.00 C ATOM 802 C GLY A 56 16.770 2.397 -1.339 1.00 0.00 C ATOM 803 O GLY A 56 15.808 1.963 -1.972 1.00 0.00 O ATOM 0 H GLY A 56 17.675 3.305 -3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 56 18.171 3.999 -0.988 1.00 0.00 H new ATOM 0 HA3 GLY A 56 16.507 4.528 -1.135 1.00 0.00 H new ATOM 807 N ILE A 57 17.466 1.696 -0.456 1.00 0.00 N ATOM 808 CA ILE A 57 17.126 0.314 -0.164 1.00 0.00 C ATOM 809 C ILE A 57 15.663 0.234 0.275 1.00 0.00 C ATOM 810 O ILE A 57 15.306 0.718 1.348 1.00 0.00 O ATOM 811 CB ILE A 57 18.106 -0.275 0.854 1.00 0.00 C ATOM 812 CG1 ILE A 57 19.373 -0.785 0.164 1.00 0.00 C ATOM 813 CG2 ILE A 57 17.435 -1.362 1.696 1.00 0.00 C ATOM 814 CD1 ILE A 57 19.813 0.169 -0.949 1.00 0.00 C ATOM 0 H ILE A 57 18.263 2.059 0.066 1.00 0.00 H new ATOM 0 HA ILE A 57 17.224 -0.299 -1.060 1.00 0.00 H new ATOM 0 HB ILE A 57 18.408 0.520 1.536 1.00 0.00 H new ATOM 0 HG12 ILE A 57 20.174 -0.889 0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.191 -1.776 -0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 57 18.153 -1.764 2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.588 -0.935 2.233 1.00 0.00 H new ATOM 0 HG23 ILE A 57 17.085 -2.163 1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.716 -0.217 -1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 57 19.020 0.252 -1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 57 20.018 1.152 -0.526 1.00 0.00 H new ATOM 826 N ILE A 58 14.855 -0.380 -0.577 1.00 0.00 N ATOM 827 CA ILE A 58 13.438 -0.529 -0.291 1.00 0.00 C ATOM 828 C ILE A 58 13.266 -1.278 1.032 1.00 0.00 C ATOM 829 O ILE A 58 13.944 -2.274 1.278 1.00 0.00 O ATOM 830 CB ILE A 58 12.720 -1.189 -1.470 1.00 0.00 C ATOM 831 CG1 ILE A 58 12.954 -0.405 -2.763 1.00 0.00 C ATOM 832 CG2 ILE A 58 11.231 -1.371 -1.172 1.00 0.00 C ATOM 833 CD1 ILE A 58 12.384 1.011 -2.657 1.00 0.00 C ATOM 0 H ILE A 58 15.155 -0.780 -1.466 1.00 0.00 H new ATOM 0 HA ILE A 58 12.969 0.447 -0.169 1.00 0.00 H new ATOM 0 HB ILE A 58 13.143 -2.183 -1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 58 14.022 -0.356 -2.974 1.00 0.00 H new ATOM 0 HG13 ILE A 58 12.487 -0.927 -3.598 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.744 -1.842 -2.026 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.111 -2.002 -0.292 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.776 -0.398 -0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.564 1.546 -3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.311 0.958 -2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 58 12.870 1.538 -1.836 1.00 0.00 H new ATOM 845 N LEU A 59 12.354 -0.770 1.848 1.00 0.00 N ATOM 846 CA LEU A 59 12.084 -1.379 3.139 1.00 0.00 C ATOM 847 C LEU A 59 10.710 -2.051 3.104 1.00 0.00 C ATOM 848 O LEU A 59 10.449 -2.980 3.867 1.00 0.00 O ATOM 849 CB LEU A 59 12.235 -0.348 4.260 1.00 0.00 C ATOM 850 CG LEU A 59 13.505 0.505 4.219 1.00 0.00 C ATOM 851 CD1 LEU A 59 13.498 1.551 5.336 1.00 0.00 C ATOM 852 CD2 LEU A 59 14.757 -0.373 4.263 1.00 0.00 C ATOM 0 H LEU A 59 11.793 0.056 1.640 1.00 0.00 H new ATOM 0 HA LEU A 59 12.816 -2.158 3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.373 0.318 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.203 -0.872 5.215 1.00 0.00 H new ATOM 0 HG LEU A 59 13.524 1.045 3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 59 14.411 2.144 5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 59 12.634 2.205 5.217 1.00 0.00 H new ATOM 0 HD13 LEU A 59 13.444 1.051 6.303 1.00 0.00 H new ATOM 0 HD21 LEU A 59 15.645 0.258 4.233 1.00 0.00 H new ATOM 0 HD22 LEU A 59 14.759 -0.958 5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 59 14.760 -1.045 3.405 1.00 0.00 H new ATOM 864 N ALA A 60 9.867 -1.556 2.210 1.00 0.00 N ATOM 865 CA ALA A 60 8.526 -2.097 2.065 1.00 0.00 C ATOM 866 C ALA A 60 7.765 -1.287 1.014 1.00 0.00 C ATOM 867 O ALA A 60 8.366 -0.531 0.252 1.00 0.00 O ATOM 868 CB ALA A 60 7.824 -2.094 3.424 1.00 0.00 C ATOM 0 H ALA A 60 10.087 -0.786 1.578 1.00 0.00 H new ATOM 0 HA ALA A 60 8.565 -3.130 1.721 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.818 -2.500 3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.388 -2.707 4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.764 -1.073 3.800 1.00 0.00 H new ATOM 874 N TYR A 61 6.453 -1.472 1.006 1.00 0.00 N ATOM 875 CA TYR A 61 5.603 -0.768 0.061 1.00 0.00 C ATOM 876 C TYR A 61 4.228 -0.483 0.667 1.00 0.00 C ATOM 877 O TYR A 61 3.928 -0.931 1.773 1.00 0.00 O ATOM 878 CB TYR A 61 5.435 -1.707 -1.136 1.00 0.00 C ATOM 879 CG TYR A 61 6.536 -1.573 -2.191 1.00 0.00 C ATOM 880 CD1 TYR A 61 7.770 -2.150 -1.977 1.00 0.00 C ATOM 881 CD2 TYR A 61 6.293 -0.874 -3.356 1.00 0.00 C ATOM 882 CE1 TYR A 61 8.806 -2.025 -2.969 1.00 0.00 C ATOM 883 CE2 TYR A 61 7.328 -0.749 -4.349 1.00 0.00 C ATOM 884 CZ TYR A 61 8.534 -1.330 -4.106 1.00 0.00 C ATOM 885 OH TYR A 61 9.512 -1.211 -5.044 1.00 0.00 O ATOM 0 H TYR A 61 5.958 -2.100 1.639 1.00 0.00 H new ATOM 0 HA TYR A 61 6.047 0.188 -0.216 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.413 -2.736 -0.777 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.471 -1.512 -1.605 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.959 -2.696 -1.065 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.327 -0.421 -3.523 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.777 -2.473 -2.814 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.151 -0.206 -5.266 1.00 0.00 H new ATOM 0 HH TYR A 61 10.096 -1.998 -5.010 1.00 0.00 H new ATOM 895 N GLN A 62 3.428 0.260 -0.083 1.00 0.00 N ATOM 896 CA GLN A 62 2.091 0.610 0.366 1.00 0.00 C ATOM 897 C GLN A 62 1.101 0.526 -0.797 1.00 0.00 C ATOM 898 O GLN A 62 1.367 1.040 -1.882 1.00 0.00 O ATOM 899 CB GLN A 62 2.073 2.002 1.001 1.00 0.00 C ATOM 900 CG GLN A 62 0.653 2.401 1.407 1.00 0.00 C ATOM 901 CD GLN A 62 0.367 3.858 1.040 1.00 0.00 C ATOM 902 OE1 GLN A 62 0.596 4.302 -0.073 1.00 0.00 O ATOM 903 NE2 GLN A 62 -0.145 4.577 2.035 1.00 0.00 N ATOM 0 H GLN A 62 3.680 0.630 -1.000 1.00 0.00 H new ATOM 0 HA GLN A 62 1.786 -0.106 1.129 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.722 2.015 1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.472 2.732 0.297 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.067 1.749 0.912 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.525 2.261 2.480 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.313 4.144 2.943 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.370 5.561 1.890 1.00 0.00 H new ATOM 912 N ILE A 63 -0.021 -0.128 -0.531 1.00 0.00 N ATOM 913 CA ILE A 63 -1.052 -0.286 -1.542 1.00 0.00 C ATOM 914 C ILE A 63 -2.381 0.239 -0.995 1.00 0.00 C ATOM 915 O ILE A 63 -3.040 -0.434 -0.203 1.00 0.00 O ATOM 916 CB ILE A 63 -1.115 -1.738 -2.021 1.00 0.00 C ATOM 917 CG1 ILE A 63 -0.487 -1.885 -3.408 1.00 0.00 C ATOM 918 CG2 ILE A 63 -2.550 -2.267 -1.982 1.00 0.00 C ATOM 919 CD1 ILE A 63 0.306 -3.189 -3.516 1.00 0.00 C ATOM 0 H ILE A 63 -0.238 -0.554 0.370 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.813 0.307 -2.425 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.528 -2.350 -1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.268 -1.866 -4.168 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.170 -1.038 -3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.566 -3.301 -2.327 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.928 -2.220 -0.961 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.180 -1.658 -2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.742 -3.268 -4.512 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.101 -3.194 -2.770 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.359 -4.035 -3.343 1.00 0.00 H new ATOM 931 N THR A 64 -2.736 1.435 -1.440 1.00 0.00 N ATOM 932 CA THR A 64 -3.975 2.058 -1.005 1.00 0.00 C ATOM 933 C THR A 64 -5.129 1.649 -1.923 1.00 0.00 C ATOM 934 O THR A 64 -5.083 1.889 -3.128 1.00 0.00 O ATOM 935 CB THR A 64 -3.750 3.570 -0.950 1.00 0.00 C ATOM 936 OG1 THR A 64 -3.608 3.950 -2.316 1.00 0.00 O ATOM 937 CG2 THR A 64 -2.406 3.940 -0.318 1.00 0.00 C ATOM 0 H THR A 64 -2.188 1.990 -2.097 1.00 0.00 H new ATOM 0 HA THR A 64 -4.258 1.720 -0.008 1.00 0.00 H new ATOM 0 HB THR A 64 -4.557 4.036 -0.385 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.236 3.436 -2.865 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.297 5.024 -0.304 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.366 3.558 0.702 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.597 3.502 -0.902 1.00 0.00 H new ATOM 945 N HIS A 65 -6.136 1.036 -1.317 1.00 0.00 N ATOM 946 CA HIS A 65 -7.299 0.591 -2.065 1.00 0.00 C ATOM 947 C HIS A 65 -8.526 1.398 -1.634 1.00 0.00 C ATOM 948 O HIS A 65 -8.778 1.562 -0.441 1.00 0.00 O ATOM 949 CB HIS A 65 -7.499 -0.918 -1.912 1.00 0.00 C ATOM 950 CG HIS A 65 -7.197 -1.440 -0.527 1.00 0.00 C ATOM 951 ND1 HIS A 65 -8.186 -1.762 0.385 1.00 0.00 N ATOM 952 CD2 HIS A 65 -6.007 -1.693 0.090 1.00 0.00 C ATOM 953 CE1 HIS A 65 -7.607 -2.188 1.498 1.00 0.00 C ATOM 954 NE2 HIS A 65 -6.256 -2.143 1.313 1.00 0.00 N ATOM 0 H HIS A 65 -6.170 0.837 -0.317 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.143 0.772 -3.128 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.530 -1.165 -2.166 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -6.862 -1.433 -2.630 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.028 -1.551 -0.344 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -8.115 -2.513 2.394 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -5.553 -2.411 2.002 1.00 0.00 H new ATOM 962 N ARG A 66 -9.256 1.881 -2.629 1.00 0.00 N ATOM 963 CA ARG A 66 -10.450 2.667 -2.368 1.00 0.00 C ATOM 964 C ARG A 66 -11.332 2.722 -3.617 1.00 0.00 C ATOM 965 O ARG A 66 -11.039 2.071 -4.618 1.00 0.00 O ATOM 966 CB ARG A 66 -10.089 4.092 -1.943 1.00 0.00 C ATOM 967 CG ARG A 66 -9.697 4.942 -3.153 1.00 0.00 C ATOM 968 CD ARG A 66 -8.802 6.110 -2.736 1.00 0.00 C ATOM 969 NE ARG A 66 -9.613 7.163 -2.085 1.00 0.00 N ATOM 970 CZ ARG A 66 -9.107 8.295 -1.577 1.00 0.00 C ATOM 971 NH1 ARG A 66 -7.789 8.528 -1.642 1.00 0.00 N ATOM 972 NH2 ARG A 66 -9.919 9.194 -1.004 1.00 0.00 N ATOM 0 H ARG A 66 -9.044 1.743 -3.617 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.994 2.185 -1.556 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.937 4.549 -1.432 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.265 4.065 -1.231 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.176 4.323 -3.883 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.594 5.323 -3.640 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.029 5.760 -2.052 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.294 6.519 -3.609 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.620 7.018 -2.019 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.171 7.844 -2.078 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.404 9.390 -1.255 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.922 9.017 -0.955 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.534 10.056 -0.617 1.00 0.00 H new ATOM 986 N LEU A 67 -12.395 3.506 -3.516 1.00 0.00 N ATOM 987 CA LEU A 67 -13.323 3.655 -4.625 1.00 0.00 C ATOM 988 C LEU A 67 -13.141 5.038 -5.254 1.00 0.00 C ATOM 989 O LEU A 67 -12.813 6.001 -4.561 1.00 0.00 O ATOM 990 CB LEU A 67 -14.755 3.370 -4.168 1.00 0.00 C ATOM 991 CG LEU A 67 -15.204 1.909 -4.242 1.00 0.00 C ATOM 992 CD1 LEU A 67 -16.707 1.784 -3.986 1.00 0.00 C ATOM 993 CD2 LEU A 67 -14.795 1.277 -5.574 1.00 0.00 C ATOM 0 H LEU A 67 -12.635 4.045 -2.684 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.110 2.921 -5.402 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -14.861 3.710 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.435 3.970 -4.774 1.00 0.00 H new ATOM 0 HG LEU A 67 -14.696 1.355 -3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -17.000 0.736 -4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -16.941 2.171 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -17.253 2.356 -4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -15.126 0.239 -5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.257 1.826 -6.394 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.711 1.315 -5.677 1.00 0.00 H new ATOM 1139 N GLU A 78 -2.533 -0.560 2.913 1.00 0.00 N ATOM 1140 CA GLU A 78 -1.818 -1.666 3.525 1.00 0.00 C ATOM 1141 C GLU A 78 -0.337 -1.617 3.143 1.00 0.00 C ATOM 1142 O GLU A 78 0.001 -1.384 1.984 1.00 0.00 O ATOM 1143 CB GLU A 78 -2.442 -3.007 3.132 1.00 0.00 C ATOM 1144 CG GLU A 78 -1.482 -4.163 3.419 1.00 0.00 C ATOM 1145 CD GLU A 78 -2.207 -5.319 4.112 1.00 0.00 C ATOM 1146 OE1 GLU A 78 -3.107 -5.017 4.926 1.00 0.00 O ATOM 1147 OE2 GLU A 78 -1.846 -6.477 3.812 1.00 0.00 O ATOM 0 HA GLU A 78 -1.897 -1.570 4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.371 -3.155 3.683 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.698 -2.997 2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.040 -4.513 2.486 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.664 -3.813 4.048 1.00 0.00 H new ATOM 1154 N VAL A 79 0.506 -1.841 4.140 1.00 0.00 N ATOM 1155 CA VAL A 79 1.943 -1.826 3.923 1.00 0.00 C ATOM 1156 C VAL A 79 2.402 -3.216 3.479 1.00 0.00 C ATOM 1157 O VAL A 79 2.009 -4.221 4.068 1.00 0.00 O ATOM 1158 CB VAL A 79 2.657 -1.334 5.184 1.00 0.00 C ATOM 1159 CG1 VAL A 79 4.070 -1.915 5.275 1.00 0.00 C ATOM 1160 CG2 VAL A 79 2.689 0.194 5.236 1.00 0.00 C ATOM 0 H VAL A 79 0.222 -2.034 5.100 1.00 0.00 H new ATOM 0 HA VAL A 79 2.202 -1.129 3.126 1.00 0.00 H new ATOM 0 HB VAL A 79 2.093 -1.686 6.047 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.556 -1.550 6.180 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.015 -3.003 5.307 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.647 -1.606 4.403 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.202 0.517 6.142 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.218 0.577 4.363 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.669 0.579 5.240 1.00 0.00 H new ATOM 1170 N LEU A 80 3.228 -3.228 2.443 1.00 0.00 N ATOM 1171 CA LEU A 80 3.746 -4.478 1.913 1.00 0.00 C ATOM 1172 C LEU A 80 5.258 -4.535 2.136 1.00 0.00 C ATOM 1173 O LEU A 80 5.878 -3.527 2.472 1.00 0.00 O ATOM 1174 CB LEU A 80 3.333 -4.651 0.450 1.00 0.00 C ATOM 1175 CG LEU A 80 1.859 -4.981 0.203 1.00 0.00 C ATOM 1176 CD1 LEU A 80 1.314 -4.196 -0.992 1.00 0.00 C ATOM 1177 CD2 LEU A 80 1.655 -6.489 0.040 1.00 0.00 C ATOM 0 H LEU A 80 3.551 -2.392 1.956 1.00 0.00 H new ATOM 0 HA LEU A 80 3.314 -5.325 2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.574 -3.733 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.940 -5.444 0.013 1.00 0.00 H new ATOM 0 HG LEU A 80 1.288 -4.672 1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.265 -4.449 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.405 -3.127 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.884 -4.452 -1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.599 -6.697 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.240 -6.846 -0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.980 -7.000 0.946 1.00 0.00 H new ATOM 1189 N ALA A 81 5.809 -5.724 1.940 1.00 0.00 N ATOM 1190 CA ALA A 81 7.237 -5.925 2.116 1.00 0.00 C ATOM 1191 C ALA A 81 7.984 -5.315 0.928 1.00 0.00 C ATOM 1192 O ALA A 81 7.373 -4.966 -0.081 1.00 0.00 O ATOM 1193 CB ALA A 81 7.526 -7.418 2.281 1.00 0.00 C ATOM 0 H ALA A 81 5.292 -6.558 1.661 1.00 0.00 H new ATOM 0 HA ALA A 81 7.586 -5.423 3.018 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.597 -7.569 2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.996 -7.797 3.155 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.191 -7.954 1.393 1.00 0.00 H new ATOM 1199 N PRO A 82 9.329 -5.202 1.091 1.00 0.00 N ATOM 1200 CA PRO A 82 10.165 -4.640 0.044 1.00 0.00 C ATOM 1201 C PRO A 82 10.354 -5.636 -1.101 1.00 0.00 C ATOM 1202 O PRO A 82 10.977 -5.316 -2.112 1.00 0.00 O ATOM 1203 CB PRO A 82 11.469 -4.276 0.735 1.00 0.00 C ATOM 1204 CG PRO A 82 11.489 -5.068 2.032 1.00 0.00 C ATOM 1205 CD PRO A 82 10.087 -5.604 2.272 1.00 0.00 C ATOM 0 HA PRO A 82 9.719 -3.763 -0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.326 -4.528 0.110 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.522 -3.205 0.931 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.205 -5.887 1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.803 -4.434 2.862 1.00 0.00 H new ATOM 0 HD2 PRO A 82 10.092 -6.688 2.389 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.654 -5.187 3.181 1.00 0.00 H new ATOM 1213 N SER A 83 9.803 -6.825 -0.905 1.00 0.00 N ATOM 1214 CA SER A 83 9.902 -7.871 -1.909 1.00 0.00 C ATOM 1215 C SER A 83 8.506 -8.262 -2.398 1.00 0.00 C ATOM 1216 O SER A 83 8.254 -9.427 -2.701 1.00 0.00 O ATOM 1217 CB SER A 83 10.634 -9.096 -1.358 1.00 0.00 C ATOM 1218 OG SER A 83 12.046 -8.989 -1.511 1.00 0.00 O ATOM 0 H SER A 83 9.286 -7.087 -0.066 1.00 0.00 H new ATOM 0 HA SER A 83 10.479 -7.484 -2.749 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.392 -9.218 -0.302 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.281 -9.990 -1.871 1.00 0.00 H new ATOM 0 HG SER A 83 12.476 -9.790 -1.145 1.00 0.00 H new ATOM 1224 N ALA A 84 7.635 -7.265 -2.459 1.00 0.00 N ATOM 1225 CA ALA A 84 6.271 -7.490 -2.906 1.00 0.00 C ATOM 1226 C ALA A 84 6.135 -7.041 -4.362 1.00 0.00 C ATOM 1227 O ALA A 84 6.418 -5.890 -4.690 1.00 0.00 O ATOM 1228 CB ALA A 84 5.302 -6.756 -1.977 1.00 0.00 C ATOM 0 H ALA A 84 7.848 -6.300 -2.206 1.00 0.00 H new ATOM 0 HA ALA A 84 6.024 -8.551 -2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.279 -6.925 -2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.418 -7.132 -0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.519 -5.688 -1.996 1.00 0.00 H new ATOM 1234 N ARG A 85 5.702 -7.974 -5.198 1.00 0.00 N ATOM 1235 CA ARG A 85 5.525 -7.688 -6.611 1.00 0.00 C ATOM 1236 C ARG A 85 4.036 -7.588 -6.951 1.00 0.00 C ATOM 1237 O ARG A 85 3.666 -7.000 -7.966 1.00 0.00 O ATOM 1238 CB ARG A 85 6.166 -8.775 -7.477 1.00 0.00 C ATOM 1239 CG ARG A 85 7.692 -8.721 -7.383 1.00 0.00 C ATOM 1240 CD ARG A 85 8.292 -8.020 -8.603 1.00 0.00 C ATOM 1241 NE ARG A 85 8.181 -8.891 -9.794 1.00 0.00 N ATOM 1242 CZ ARG A 85 8.824 -8.671 -10.949 1.00 0.00 C ATOM 1243 NH1 ARG A 85 9.627 -7.606 -11.076 1.00 0.00 N ATOM 1244 NH2 ARG A 85 8.663 -9.516 -11.977 1.00 0.00 N ATOM 0 H ARG A 85 5.469 -8.928 -4.923 1.00 0.00 H new ATOM 0 HA ARG A 85 6.014 -6.736 -6.820 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.813 -9.755 -7.157 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.857 -8.648 -8.515 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.986 -8.194 -6.475 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.091 -9.732 -7.307 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.774 -7.078 -8.782 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.338 -7.778 -8.416 1.00 0.00 H new ATOM 0 HE ARG A 85 7.577 -9.711 -9.732 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.749 -6.963 -10.294 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.117 -7.438 -11.955 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.051 -10.326 -11.880 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.152 -9.349 -12.856 1.00 0.00 H new ATOM 1258 N GLN A 86 3.223 -8.171 -6.082 1.00 0.00 N ATOM 1259 CA GLN A 86 1.784 -8.154 -6.276 1.00 0.00 C ATOM 1260 C GLN A 86 1.065 -8.172 -4.926 1.00 0.00 C ATOM 1261 O GLN A 86 1.663 -8.507 -3.905 1.00 0.00 O ATOM 1262 CB GLN A 86 1.335 -9.327 -7.151 1.00 0.00 C ATOM 1263 CG GLN A 86 1.562 -10.661 -6.438 1.00 0.00 C ATOM 1264 CD GLN A 86 1.737 -11.799 -7.446 1.00 0.00 C ATOM 1265 OE1 GLN A 86 1.241 -11.758 -8.559 1.00 0.00 O ATOM 1266 NE2 GLN A 86 2.469 -12.814 -6.995 1.00 0.00 N ATOM 0 H GLN A 86 3.534 -8.658 -5.242 1.00 0.00 H new ATOM 0 HA GLN A 86 1.519 -7.233 -6.795 1.00 0.00 H new ATOM 0 HB2 GLN A 86 0.279 -9.218 -7.398 1.00 0.00 H new ATOM 0 HB3 GLN A 86 1.885 -9.315 -8.092 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.446 -10.593 -5.804 1.00 0.00 H new ATOM 0 HG3 GLN A 86 0.717 -10.876 -5.784 1.00 0.00 H new ATOM 0 HE21 GLN A 86 2.855 -12.785 -6.051 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.644 -13.622 -7.593 1.00 0.00 H new ATOM 1275 N TYR A 87 -0.208 -7.806 -4.964 1.00 0.00 N ATOM 1276 CA TYR A 87 -1.014 -7.775 -3.755 1.00 0.00 C ATOM 1277 C TYR A 87 -2.447 -8.231 -4.040 1.00 0.00 C ATOM 1278 O TYR A 87 -2.956 -8.035 -5.143 1.00 0.00 O ATOM 1279 CB TYR A 87 -1.037 -6.315 -3.301 1.00 0.00 C ATOM 1280 CG TYR A 87 -2.035 -6.028 -2.177 1.00 0.00 C ATOM 1281 CD1 TYR A 87 -1.729 -6.376 -0.877 1.00 0.00 C ATOM 1282 CD2 TYR A 87 -3.242 -5.423 -2.464 1.00 0.00 C ATOM 1283 CE1 TYR A 87 -2.669 -6.106 0.180 1.00 0.00 C ATOM 1284 CE2 TYR A 87 -4.181 -5.153 -1.406 1.00 0.00 C ATOM 1285 CZ TYR A 87 -3.848 -5.509 -0.136 1.00 0.00 C ATOM 1286 OH TYR A 87 -4.736 -5.254 0.863 1.00 0.00 O ATOM 0 H TYR A 87 -0.701 -7.528 -5.813 1.00 0.00 H new ATOM 0 HA TYR A 87 -0.598 -8.441 -2.999 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.038 -6.033 -2.967 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -1.277 -5.683 -4.156 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.785 -6.851 -0.653 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.482 -5.152 -3.482 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.442 -6.372 1.202 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.128 -4.679 -1.616 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.534 -4.824 0.490 1.00 0.00 H new ATOM 1296 N THR A 88 -3.055 -8.830 -3.028 1.00 0.00 N ATOM 1297 CA THR A 88 -4.419 -9.316 -3.156 1.00 0.00 C ATOM 1298 C THR A 88 -5.368 -8.472 -2.301 1.00 0.00 C ATOM 1299 O THR A 88 -5.130 -8.280 -1.110 1.00 0.00 O ATOM 1300 CB THR A 88 -4.429 -10.801 -2.789 1.00 0.00 C ATOM 1301 OG1 THR A 88 -3.456 -11.379 -3.655 1.00 0.00 O ATOM 1302 CG2 THR A 88 -5.736 -11.493 -3.181 1.00 0.00 C ATOM 0 H THR A 88 -2.629 -8.990 -2.115 1.00 0.00 H new ATOM 0 HA THR A 88 -4.779 -9.218 -4.180 1.00 0.00 H new ATOM 0 HB THR A 88 -4.269 -10.911 -1.716 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.396 -12.342 -3.483 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.690 -12.545 -2.898 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.569 -11.015 -2.666 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.881 -11.413 -4.258 1.00 0.00 H new ATOM 1310 N ALA A 89 -6.422 -7.992 -2.943 1.00 0.00 N ATOM 1311 CA ALA A 89 -7.407 -7.174 -2.257 1.00 0.00 C ATOM 1312 C ALA A 89 -8.650 -8.017 -1.965 1.00 0.00 C ATOM 1313 O ALA A 89 -9.063 -8.829 -2.792 1.00 0.00 O ATOM 1314 CB ALA A 89 -7.726 -5.940 -3.104 1.00 0.00 C ATOM 0 H ALA A 89 -6.616 -8.154 -3.931 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.015 -6.822 -1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.465 -5.326 -2.589 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.816 -5.359 -3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.124 -6.254 -4.069 1.00 0.00 H new ATOM 1320 N THR A 90 -9.211 -7.797 -0.785 1.00 0.00 N ATOM 1321 CA THR A 90 -10.398 -8.527 -0.373 1.00 0.00 C ATOM 1322 C THR A 90 -11.354 -7.605 0.387 1.00 0.00 C ATOM 1323 O THR A 90 -10.923 -6.802 1.213 1.00 0.00 O ATOM 1324 CB THR A 90 -9.948 -9.740 0.443 1.00 0.00 C ATOM 1325 OG1 THR A 90 -8.965 -9.215 1.332 1.00 0.00 O ATOM 1326 CG2 THR A 90 -9.181 -10.761 -0.400 1.00 0.00 C ATOM 0 H THR A 90 -8.866 -7.124 -0.101 1.00 0.00 H new ATOM 0 HA THR A 90 -10.960 -8.887 -1.235 1.00 0.00 H new ATOM 0 HB THR A 90 -10.819 -10.220 0.890 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.620 -9.935 1.901 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.885 -11.602 0.227 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.819 -11.118 -1.208 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.292 -10.291 -0.821 1.00 0.00 H new ATOM 1334 N GLY A 91 -12.635 -7.750 0.079 1.00 0.00 N ATOM 1335 CA GLY A 91 -13.656 -6.940 0.723 1.00 0.00 C ATOM 1336 C GLY A 91 -13.898 -5.644 -0.054 1.00 0.00 C ATOM 1337 O GLY A 91 -13.812 -4.554 0.509 1.00 0.00 O ATOM 0 H GLY A 91 -12.989 -8.416 -0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.585 -7.506 0.791 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.350 -6.705 1.742 1.00 0.00 H new ATOM 1341 N LEU A 92 -14.195 -5.806 -1.335 1.00 0.00 N ATOM 1342 CA LEU A 92 -14.450 -4.663 -2.194 1.00 0.00 C ATOM 1343 C LEU A 92 -15.899 -4.709 -2.681 1.00 0.00 C ATOM 1344 O LEU A 92 -16.580 -5.721 -2.519 1.00 0.00 O ATOM 1345 CB LEU A 92 -13.422 -4.604 -3.327 1.00 0.00 C ATOM 1346 CG LEU A 92 -11.972 -4.889 -2.932 1.00 0.00 C ATOM 1347 CD1 LEU A 92 -11.160 -5.368 -4.137 1.00 0.00 C ATOM 1348 CD2 LEU A 92 -11.336 -3.670 -2.260 1.00 0.00 C ATOM 0 H LEU A 92 -14.265 -6.712 -1.799 1.00 0.00 H new ATOM 0 HA LEU A 92 -14.330 -3.734 -1.637 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -13.716 -5.319 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.466 -3.614 -3.780 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.970 -5.697 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.133 -5.564 -3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.601 -6.283 -4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.167 -4.599 -4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.305 -3.900 -1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.350 -2.826 -2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -11.899 -3.415 -1.362 1.00 0.00 H new ATOM 1360 N LYS A 93 -16.329 -3.602 -3.268 1.00 0.00 N ATOM 1361 CA LYS A 93 -17.685 -3.503 -3.779 1.00 0.00 C ATOM 1362 C LYS A 93 -17.671 -3.716 -5.294 1.00 0.00 C ATOM 1363 O LYS A 93 -16.914 -3.062 -6.010 1.00 0.00 O ATOM 1364 CB LYS A 93 -18.325 -2.182 -3.350 1.00 0.00 C ATOM 1365 CG LYS A 93 -19.697 -1.999 -4.003 1.00 0.00 C ATOM 1366 CD LYS A 93 -19.757 -0.691 -4.794 1.00 0.00 C ATOM 1367 CE LYS A 93 -19.605 0.518 -3.868 1.00 0.00 C ATOM 1368 NZ LYS A 93 -20.906 0.867 -3.254 1.00 0.00 N ATOM 0 H LYS A 93 -15.761 -2.765 -3.401 1.00 0.00 H new ATOM 0 HA LYS A 93 -18.311 -4.287 -3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -18.429 -2.160 -2.265 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -17.674 -1.352 -3.625 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -19.903 -2.839 -4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -20.472 -2.001 -3.236 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -18.967 -0.680 -5.545 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -20.705 -0.628 -5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -18.876 0.297 -3.089 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -19.222 1.369 -4.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -20.785 1.689 -2.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -21.592 1.098 -4.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -21.256 0.059 -2.700 1.00 0.00 H new ATOM 1382 N PRO A 94 -18.540 -4.658 -5.751 1.00 0.00 N ATOM 1383 CA PRO A 94 -18.634 -4.966 -7.168 1.00 0.00 C ATOM 1384 C PRO A 94 -19.382 -3.862 -7.919 1.00 0.00 C ATOM 1385 O PRO A 94 -20.171 -3.128 -7.327 1.00 0.00 O ATOM 1386 CB PRO A 94 -19.339 -6.311 -7.232 1.00 0.00 C ATOM 1387 CG PRO A 94 -20.025 -6.487 -5.887 1.00 0.00 C ATOM 1388 CD PRO A 94 -19.452 -5.452 -4.932 1.00 0.00 C ATOM 0 HA PRO A 94 -17.660 -5.019 -7.653 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -20.064 -6.334 -8.046 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -18.628 -7.116 -7.416 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -21.103 -6.358 -5.988 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -19.860 -7.494 -5.503 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -20.238 -4.833 -4.501 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -18.928 -5.926 -4.102 1.00 0.00 H new ATOM 1396 N GLU A 95 -19.106 -3.780 -9.213 1.00 0.00 N ATOM 1397 CA GLU A 95 -19.743 -2.779 -10.051 1.00 0.00 C ATOM 1398 C GLU A 95 -19.259 -1.379 -9.667 1.00 0.00 C ATOM 1399 O GLU A 95 -20.056 -0.446 -9.577 1.00 0.00 O ATOM 1400 CB GLU A 95 -21.267 -2.877 -9.961 1.00 0.00 C ATOM 1401 CG GLU A 95 -21.749 -4.280 -10.333 1.00 0.00 C ATOM 1402 CD GLU A 95 -22.745 -4.229 -11.494 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -23.747 -3.496 -11.349 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -22.481 -4.924 -12.499 1.00 0.00 O ATOM 0 H GLU A 95 -18.450 -4.390 -9.701 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.461 -2.968 -11.087 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -21.591 -2.633 -8.949 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.722 -2.144 -10.627 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -20.896 -4.900 -10.608 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -22.218 -4.749 -9.468 1.00 0.00 H new ATOM 1411 N SER A 96 -17.956 -1.277 -9.450 1.00 0.00 N ATOM 1412 CA SER A 96 -17.358 -0.007 -9.077 1.00 0.00 C ATOM 1413 C SER A 96 -15.898 0.038 -9.534 1.00 0.00 C ATOM 1414 O SER A 96 -15.345 -0.976 -9.957 1.00 0.00 O ATOM 1415 CB SER A 96 -17.448 0.223 -7.567 1.00 0.00 C ATOM 1416 OG SER A 96 -18.653 0.888 -7.198 1.00 0.00 O ATOM 0 H SER A 96 -17.298 -2.053 -9.525 1.00 0.00 H new ATOM 0 HA SER A 96 -17.913 0.790 -9.572 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.390 -0.735 -7.051 1.00 0.00 H new ATOM 0 HB3 SER A 96 -16.593 0.814 -7.239 1.00 0.00 H new ATOM 0 HG SER A 96 -19.361 0.660 -7.836 1.00 0.00 H new ATOM 1422 N VAL A 97 -15.317 1.225 -9.434 1.00 0.00 N ATOM 1423 CA VAL A 97 -13.932 1.415 -9.833 1.00 0.00 C ATOM 1424 C VAL A 97 -13.083 1.700 -8.592 1.00 0.00 C ATOM 1425 O VAL A 97 -13.427 2.563 -7.786 1.00 0.00 O ATOM 1426 CB VAL A 97 -13.838 2.519 -10.888 1.00 0.00 C ATOM 1427 CG1 VAL A 97 -12.484 2.485 -11.599 1.00 0.00 C ATOM 1428 CG2 VAL A 97 -14.988 2.417 -11.892 1.00 0.00 C ATOM 0 H VAL A 97 -15.779 2.064 -9.083 1.00 0.00 H new ATOM 0 HA VAL A 97 -13.540 0.509 -10.295 1.00 0.00 H new ATOM 0 HB VAL A 97 -13.923 3.478 -10.377 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -12.444 3.280 -12.344 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -11.687 2.630 -10.870 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -12.355 1.521 -12.091 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -14.898 3.213 -12.631 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -14.948 1.450 -12.394 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -15.939 2.515 -11.368 1.00 0.00 H new ATOM 1438 N TYR A 98 -11.992 0.958 -8.478 1.00 0.00 N ATOM 1439 CA TYR A 98 -11.091 1.119 -7.349 1.00 0.00 C ATOM 1440 C TYR A 98 -9.732 1.654 -7.805 1.00 0.00 C ATOM 1441 O TYR A 98 -9.184 1.195 -8.806 1.00 0.00 O ATOM 1442 CB TYR A 98 -10.903 -0.278 -6.756 1.00 0.00 C ATOM 1443 CG TYR A 98 -11.909 -0.628 -5.657 1.00 0.00 C ATOM 1444 CD1 TYR A 98 -13.142 -1.149 -5.991 1.00 0.00 C ATOM 1445 CD2 TYR A 98 -11.582 -0.423 -4.332 1.00 0.00 C ATOM 1446 CE1 TYR A 98 -14.089 -1.478 -4.957 1.00 0.00 C ATOM 1447 CE2 TYR A 98 -12.529 -0.752 -3.298 1.00 0.00 C ATOM 1448 CZ TYR A 98 -13.735 -1.264 -3.662 1.00 0.00 C ATOM 1449 OH TYR A 98 -14.629 -1.575 -2.685 1.00 0.00 O ATOM 0 H TYR A 98 -11.711 0.243 -9.149 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.501 1.827 -6.628 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -10.983 -1.015 -7.555 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.895 -0.356 -6.350 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -13.397 -1.310 -7.028 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.616 -0.016 -4.071 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -15.058 -1.885 -5.205 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -12.287 -0.596 -2.257 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.240 -1.371 -1.809 1.00 0.00 H new ATOM 1459 N LEU A 99 -9.227 2.617 -7.048 1.00 0.00 N ATOM 1460 CA LEU A 99 -7.942 3.219 -7.361 1.00 0.00 C ATOM 1461 C LEU A 99 -6.858 2.576 -6.494 1.00 0.00 C ATOM 1462 O LEU A 99 -6.888 2.690 -5.269 1.00 0.00 O ATOM 1463 CB LEU A 99 -8.016 4.741 -7.224 1.00 0.00 C ATOM 1464 CG LEU A 99 -6.695 5.495 -7.389 1.00 0.00 C ATOM 1465 CD1 LEU A 99 -5.922 5.540 -6.069 1.00 0.00 C ATOM 1466 CD2 LEU A 99 -5.860 4.895 -8.522 1.00 0.00 C ATOM 0 H LEU A 99 -9.685 2.995 -6.219 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.675 3.028 -8.400 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.722 5.119 -7.964 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.426 4.978 -6.242 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.921 6.525 -7.666 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.987 6.081 -6.213 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.522 6.047 -5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.706 4.524 -5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.926 5.449 -8.619 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.641 3.851 -8.299 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.417 4.957 -9.457 1.00 0.00 H new ATOM 1478 N PHE A 100 -5.925 1.914 -7.163 1.00 0.00 N ATOM 1479 CA PHE A 100 -4.833 1.253 -6.469 1.00 0.00 C ATOM 1480 C PHE A 100 -3.546 2.075 -6.562 1.00 0.00 C ATOM 1481 O PHE A 100 -2.980 2.228 -7.644 1.00 0.00 O ATOM 1482 CB PHE A 100 -4.615 -0.094 -7.160 1.00 0.00 C ATOM 1483 CG PHE A 100 -5.501 -1.220 -6.623 1.00 0.00 C ATOM 1484 CD1 PHE A 100 -6.814 -1.277 -6.973 1.00 0.00 C ATOM 1485 CD2 PHE A 100 -4.977 -2.163 -5.796 1.00 0.00 C ATOM 1486 CE1 PHE A 100 -7.637 -2.321 -6.475 1.00 0.00 C ATOM 1487 CE2 PHE A 100 -5.799 -3.208 -5.298 1.00 0.00 C ATOM 1488 CZ PHE A 100 -7.113 -3.265 -5.648 1.00 0.00 C ATOM 0 H PHE A 100 -5.903 1.821 -8.179 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.080 1.134 -5.414 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.801 0.023 -8.228 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.570 -0.383 -7.048 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -7.231 -0.528 -7.630 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -3.935 -2.117 -5.518 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.680 -2.366 -6.753 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.382 -3.957 -4.642 1.00 0.00 H new ATOM 0 HZ PHE A 100 -7.739 -4.059 -5.269 1.00 0.00 H new ATOM 1498 N ARG A 101 -3.121 2.583 -5.415 1.00 0.00 N ATOM 1499 CA ARG A 101 -1.912 3.386 -5.354 1.00 0.00 C ATOM 1500 C ARG A 101 -0.774 2.583 -4.720 1.00 0.00 C ATOM 1501 O ARG A 101 -0.846 2.216 -3.548 1.00 0.00 O ATOM 1502 CB ARG A 101 -2.139 4.663 -4.543 1.00 0.00 C ATOM 1503 CG ARG A 101 -1.337 5.830 -5.122 1.00 0.00 C ATOM 1504 CD ARG A 101 -2.086 7.152 -4.943 1.00 0.00 C ATOM 1505 NE ARG A 101 -1.234 8.280 -5.385 1.00 0.00 N ATOM 1506 CZ ARG A 101 -0.322 8.881 -4.610 1.00 0.00 C ATOM 1507 NH1 ARG A 101 -0.137 8.467 -3.349 1.00 0.00 N ATOM 1508 NH2 ARG A 101 0.405 9.897 -5.095 1.00 0.00 N ATOM 0 H ARG A 101 -3.593 2.454 -4.520 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.644 3.660 -6.374 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -3.200 4.912 -4.540 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.848 4.496 -3.506 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.366 5.888 -4.630 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.148 5.656 -6.181 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -3.011 7.136 -5.519 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.364 7.283 -3.897 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.349 8.620 -6.340 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -0.691 7.694 -2.980 1.00 0.00 H new ATOM 0 HH12 ARG A 101 0.558 8.925 -2.759 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.264 10.213 -6.055 1.00 0.00 H new ATOM 0 HH22 ARG A 101 1.100 10.355 -4.505 1.00 0.00 H new ATOM 1522 N ILE A 102 0.251 2.334 -5.522 1.00 0.00 N ATOM 1523 CA ILE A 102 1.402 1.582 -5.054 1.00 0.00 C ATOM 1524 C ILE A 102 2.530 2.553 -4.698 1.00 0.00 C ATOM 1525 O ILE A 102 2.758 3.532 -5.407 1.00 0.00 O ATOM 1526 CB ILE A 102 1.805 0.524 -6.083 1.00 0.00 C ATOM 1527 CG1 ILE A 102 0.704 -0.525 -6.251 1.00 0.00 C ATOM 1528 CG2 ILE A 102 3.150 -0.110 -5.721 1.00 0.00 C ATOM 1529 CD1 ILE A 102 0.692 -1.085 -7.674 1.00 0.00 C ATOM 0 H ILE A 102 0.308 2.640 -6.493 1.00 0.00 H new ATOM 0 HA ILE A 102 1.154 1.033 -4.146 1.00 0.00 H new ATOM 0 HB ILE A 102 1.931 1.017 -7.047 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.858 -1.336 -5.539 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.265 -0.080 -6.023 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.412 -0.858 -6.469 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.920 0.661 -5.693 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.077 -0.585 -4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.100 -1.828 -7.766 1.00 0.00 H new ATOM 0 HD12 ILE A 102 0.514 -0.276 -8.382 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.654 -1.551 -7.890 1.00 0.00 H new ATOM 1541 N THR A 103 3.204 2.248 -3.599 1.00 0.00 N ATOM 1542 CA THR A 103 4.302 3.082 -3.140 1.00 0.00 C ATOM 1543 C THR A 103 5.359 2.231 -2.433 1.00 0.00 C ATOM 1544 O THR A 103 5.070 1.122 -1.985 1.00 0.00 O ATOM 1545 CB THR A 103 3.720 4.185 -2.254 1.00 0.00 C ATOM 1546 OG1 THR A 103 2.529 4.581 -2.930 1.00 0.00 O ATOM 1547 CG2 THR A 103 4.583 5.449 -2.248 1.00 0.00 C ATOM 0 H THR A 103 3.011 1.436 -3.013 1.00 0.00 H new ATOM 0 HA THR A 103 4.816 3.554 -3.977 1.00 0.00 H new ATOM 0 HB THR A 103 3.614 3.813 -1.235 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.086 5.293 -2.423 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.125 6.199 -1.604 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.578 5.208 -1.874 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.662 5.841 -3.262 1.00 0.00 H new ATOM 1555 N ALA A 104 6.562 2.781 -2.356 1.00 0.00 N ATOM 1556 CA ALA A 104 7.663 2.086 -1.712 1.00 0.00 C ATOM 1557 C ALA A 104 8.061 2.838 -0.441 1.00 0.00 C ATOM 1558 O ALA A 104 7.748 4.018 -0.289 1.00 0.00 O ATOM 1559 CB ALA A 104 8.826 1.949 -2.697 1.00 0.00 C ATOM 0 H ALA A 104 6.798 3.700 -2.729 1.00 0.00 H new ATOM 0 HA ALA A 104 7.363 1.080 -1.419 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.652 1.428 -2.214 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.499 1.382 -3.569 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.156 2.939 -3.011 1.00 0.00 H new ATOM 1565 N GLN A 105 8.746 2.124 0.441 1.00 0.00 N ATOM 1566 CA GLN A 105 9.191 2.710 1.694 1.00 0.00 C ATOM 1567 C GLN A 105 10.708 2.570 1.837 1.00 0.00 C ATOM 1568 O GLN A 105 11.237 1.460 1.810 1.00 0.00 O ATOM 1569 CB GLN A 105 8.467 2.074 2.883 1.00 0.00 C ATOM 1570 CG GLN A 105 8.963 2.663 4.205 1.00 0.00 C ATOM 1571 CD GLN A 105 8.609 1.748 5.379 1.00 0.00 C ATOM 1572 OE1 GLN A 105 8.814 0.546 5.347 1.00 0.00 O ATOM 1573 NE2 GLN A 105 8.069 2.382 6.416 1.00 0.00 N ATOM 0 H GLN A 105 9.003 1.145 0.312 1.00 0.00 H new ATOM 0 HA GLN A 105 8.944 3.772 1.685 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.393 2.236 2.789 1.00 0.00 H new ATOM 0 HB3 GLN A 105 8.628 0.996 2.878 1.00 0.00 H new ATOM 0 HG2 GLN A 105 10.043 2.804 4.162 1.00 0.00 H new ATOM 0 HG3 GLN A 105 8.519 3.646 4.359 1.00 0.00 H new ATOM 0 HE21 GLN A 105 7.924 3.391 6.378 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.799 1.859 7.249 1.00 0.00 H new ATOM 1582 N THR A 106 11.364 3.711 1.986 1.00 0.00 N ATOM 1583 CA THR A 106 12.809 3.730 2.133 1.00 0.00 C ATOM 1584 C THR A 106 13.204 4.444 3.427 1.00 0.00 C ATOM 1585 O THR A 106 12.357 4.707 4.279 1.00 0.00 O ATOM 1586 CB THR A 106 13.404 4.373 0.878 1.00 0.00 C ATOM 1587 OG1 THR A 106 12.542 5.476 0.611 1.00 0.00 O ATOM 1588 CG2 THR A 106 13.264 3.482 -0.358 1.00 0.00 C ATOM 0 H THR A 106 10.921 4.630 2.008 1.00 0.00 H new ATOM 0 HA THR A 106 13.211 2.721 2.220 1.00 0.00 H new ATOM 0 HB THR A 106 14.458 4.595 1.048 1.00 0.00 H new ATOM 0 HG1 THR A 106 13.058 6.309 0.640 1.00 0.00 H new ATOM 0 HG21 THR A 106 13.702 3.985 -1.220 1.00 0.00 H new ATOM 0 HG22 THR A 106 13.782 2.538 -0.187 1.00 0.00 H new ATOM 0 HG23 THR A 106 12.209 3.287 -0.549 1.00 0.00 H new ATOM 1596 N ARG A 107 14.492 4.738 3.533 1.00 0.00 N ATOM 1597 CA ARG A 107 15.009 5.417 4.709 1.00 0.00 C ATOM 1598 C ARG A 107 14.624 6.898 4.680 1.00 0.00 C ATOM 1599 O ARG A 107 14.764 7.599 5.681 1.00 0.00 O ATOM 1600 CB ARG A 107 16.532 5.295 4.790 1.00 0.00 C ATOM 1601 CG ARG A 107 17.206 6.091 3.670 1.00 0.00 C ATOM 1602 CD ARG A 107 18.720 5.867 3.673 1.00 0.00 C ATOM 1603 NE ARG A 107 19.424 7.169 3.676 1.00 0.00 N ATOM 1604 CZ ARG A 107 19.634 7.907 4.774 1.00 0.00 C ATOM 1605 NH1 ARG A 107 19.196 7.476 5.965 1.00 0.00 N ATOM 1606 NH2 ARG A 107 20.282 9.076 4.682 1.00 0.00 N ATOM 0 H ARG A 107 15.192 4.519 2.824 1.00 0.00 H new ATOM 0 HA ARG A 107 14.570 4.941 5.586 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.879 5.657 5.758 1.00 0.00 H new ATOM 0 HB3 ARG A 107 16.821 4.246 4.720 1.00 0.00 H new ATOM 0 HG2 ARG A 107 16.792 5.792 2.707 1.00 0.00 H new ATOM 0 HG3 ARG A 107 16.992 7.153 3.793 1.00 0.00 H new ATOM 0 HD2 ARG A 107 19.008 5.286 4.549 1.00 0.00 H new ATOM 0 HD3 ARG A 107 19.012 5.288 2.797 1.00 0.00 H new ATOM 0 HE ARG A 107 19.771 7.527 2.786 1.00 0.00 H new ATOM 0 HH11 ARG A 107 18.703 6.586 6.035 1.00 0.00 H new ATOM 0 HH12 ARG A 107 19.356 8.038 6.801 1.00 0.00 H new ATOM 0 HH21 ARG A 107 20.616 9.404 3.776 1.00 0.00 H new ATOM 0 HH22 ARG A 107 20.442 9.638 5.518 1.00 0.00 H new ATOM 1620 N LYS A 108 14.146 7.329 3.522 1.00 0.00 N ATOM 1621 CA LYS A 108 13.740 8.714 3.350 1.00 0.00 C ATOM 1622 C LYS A 108 12.252 8.849 3.680 1.00 0.00 C ATOM 1623 O LYS A 108 11.848 9.786 4.366 1.00 0.00 O ATOM 1624 CB LYS A 108 14.106 9.209 1.949 1.00 0.00 C ATOM 1625 CG LYS A 108 15.546 8.832 1.593 1.00 0.00 C ATOM 1626 CD LYS A 108 16.536 9.458 2.577 1.00 0.00 C ATOM 1627 CE LYS A 108 16.536 10.983 2.458 1.00 0.00 C ATOM 1628 NZ LYS A 108 17.821 11.459 1.898 1.00 0.00 N ATOM 0 H LYS A 108 14.031 6.744 2.694 1.00 0.00 H new ATOM 0 HA LYS A 108 14.281 9.359 4.043 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.422 8.779 1.217 1.00 0.00 H new ATOM 0 HB3 LYS A 108 13.987 10.291 1.899 1.00 0.00 H new ATOM 0 HG2 LYS A 108 15.655 7.747 1.603 1.00 0.00 H new ATOM 0 HG3 LYS A 108 15.773 9.166 0.581 1.00 0.00 H new ATOM 0 HD2 LYS A 108 16.275 9.169 3.595 1.00 0.00 H new ATOM 0 HD3 LYS A 108 17.538 9.074 2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.713 11.304 1.819 1.00 0.00 H new ATOM 0 HE3 LYS A 108 16.372 11.430 3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 17.804 12.496 1.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 18.600 11.169 2.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 17.962 11.047 0.954 1.00 0.00 H new ATOM 1642 N GLY A 109 11.478 7.898 3.176 1.00 0.00 N ATOM 1643 CA GLY A 109 10.044 7.900 3.409 1.00 0.00 C ATOM 1644 C GLY A 109 9.308 7.145 2.301 1.00 0.00 C ATOM 1645 O GLY A 109 9.647 6.004 1.991 1.00 0.00 O ATOM 0 H GLY A 109 11.817 7.122 2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 109 9.828 7.440 4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.681 8.927 3.457 1.00 0.00 H new ATOM 1649 N TRP A 110 8.314 7.813 1.733 1.00 0.00 N ATOM 1650 CA TRP A 110 7.527 7.219 0.666 1.00 0.00 C ATOM 1651 C TRP A 110 7.665 8.107 -0.573 1.00 0.00 C ATOM 1652 O TRP A 110 7.210 9.250 -0.575 1.00 0.00 O ATOM 1653 CB TRP A 110 6.073 7.022 1.101 1.00 0.00 C ATOM 1654 CG TRP A 110 5.897 6.025 2.248 1.00 0.00 C ATOM 1655 CD1 TRP A 110 5.967 6.262 3.565 1.00 0.00 C ATOM 1656 CD2 TRP A 110 5.617 4.614 2.126 1.00 0.00 C ATOM 1657 NE1 TRP A 110 5.753 5.113 4.298 1.00 0.00 N ATOM 1658 CE2 TRP A 110 5.534 4.079 3.395 1.00 0.00 C ATOM 1659 CE3 TRP A 110 5.440 3.818 0.982 1.00 0.00 C ATOM 1660 CZ2 TRP A 110 5.272 2.725 3.641 1.00 0.00 C ATOM 1661 CZ3 TRP A 110 5.179 2.467 1.244 1.00 0.00 C ATOM 1662 CH2 TRP A 110 5.092 1.912 2.515 1.00 0.00 C ATOM 0 H TRP A 110 8.036 8.760 1.992 1.00 0.00 H new ATOM 0 HA TRP A 110 7.896 6.222 0.424 1.00 0.00 H new ATOM 0 HB2 TRP A 110 5.661 7.985 1.404 1.00 0.00 H new ATOM 0 HB3 TRP A 110 5.491 6.681 0.245 1.00 0.00 H new ATOM 0 HD1 TRP A 110 6.166 7.231 3.998 1.00 0.00 H new ATOM 0 HE1 TRP A 110 5.755 5.036 5.315 1.00 0.00 H new ATOM 0 HE3 TRP A 110 5.500 4.216 -0.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 5.212 2.330 4.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 5.035 1.810 0.399 1.00 0.00 H new ATOM 0 HH2 TRP A 110 4.886 0.858 2.634 1.00 0.00 H new ATOM 1673 N GLY A 111 8.294 7.547 -1.595 1.00 0.00 N ATOM 1674 CA GLY A 111 8.497 8.274 -2.837 1.00 0.00 C ATOM 1675 C GLY A 111 7.220 8.290 -3.679 1.00 0.00 C ATOM 1676 O GLY A 111 6.121 8.136 -3.148 1.00 0.00 O ATOM 0 H GLY A 111 8.670 6.599 -1.589 1.00 0.00 H new ATOM 0 HA2 GLY A 111 8.805 9.296 -2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.305 7.813 -3.405 1.00 0.00 H new ATOM 1680 N GLU A 112 7.407 8.476 -4.977 1.00 0.00 N ATOM 1681 CA GLU A 112 6.283 8.514 -5.897 1.00 0.00 C ATOM 1682 C GLU A 112 5.389 7.289 -5.694 1.00 0.00 C ATOM 1683 O GLU A 112 5.806 6.307 -5.081 1.00 0.00 O ATOM 1684 CB GLU A 112 6.764 8.608 -7.347 1.00 0.00 C ATOM 1685 CG GLU A 112 6.250 9.886 -8.013 1.00 0.00 C ATOM 1686 CD GLU A 112 7.371 10.916 -8.162 1.00 0.00 C ATOM 1687 OE1 GLU A 112 7.553 11.699 -7.206 1.00 0.00 O ATOM 1688 OE2 GLU A 112 8.021 10.896 -9.230 1.00 0.00 O ATOM 0 H GLU A 112 8.320 8.602 -5.414 1.00 0.00 H new ATOM 0 HA GLU A 112 5.695 9.407 -5.685 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.854 8.592 -7.374 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.419 7.738 -7.906 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.837 9.649 -8.993 1.00 0.00 H new ATOM 0 HG3 GLU A 112 5.439 10.309 -7.419 1.00 0.00 H new ATOM 1695 N ALA A 113 4.178 7.386 -6.222 1.00 0.00 N ATOM 1696 CA ALA A 113 3.222 6.298 -6.106 1.00 0.00 C ATOM 1697 C ALA A 113 2.533 6.084 -7.456 1.00 0.00 C ATOM 1698 O ALA A 113 2.212 7.046 -8.151 1.00 0.00 O ATOM 1699 CB ALA A 113 2.227 6.609 -4.986 1.00 0.00 C ATOM 0 H ALA A 113 3.837 8.201 -6.731 1.00 0.00 H new ATOM 0 HA ALA A 113 3.728 5.369 -5.843 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.510 5.793 -4.899 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.763 6.722 -4.044 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.698 7.534 -5.216 1.00 0.00 H new ATOM 1705 N ALA A 114 2.327 4.818 -7.785 1.00 0.00 N ATOM 1706 CA ALA A 114 1.682 4.466 -9.039 1.00 0.00 C ATOM 1707 C ALA A 114 0.186 4.257 -8.796 1.00 0.00 C ATOM 1708 O ALA A 114 -0.205 3.409 -7.996 1.00 0.00 O ATOM 1709 CB ALA A 114 2.356 3.226 -9.629 1.00 0.00 C ATOM 0 H ALA A 114 2.595 4.023 -7.205 1.00 0.00 H new ATOM 0 HA ALA A 114 1.789 5.272 -9.766 1.00 0.00 H new ATOM 0 HB1 ALA A 114 1.872 2.962 -10.569 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.410 3.436 -9.809 1.00 0.00 H new ATOM 0 HB3 ALA A 114 2.266 2.395 -8.929 1.00 0.00 H new ATOM 1715 N GLU A 115 -0.611 5.045 -9.503 1.00 0.00 N ATOM 1716 CA GLU A 115 -2.056 4.957 -9.375 1.00 0.00 C ATOM 1717 C GLU A 115 -2.642 4.137 -10.526 1.00 0.00 C ATOM 1718 O GLU A 115 -2.460 4.481 -11.693 1.00 0.00 O ATOM 1719 CB GLU A 115 -2.687 6.349 -9.317 1.00 0.00 C ATOM 1720 CG GLU A 115 -2.969 6.763 -7.871 1.00 0.00 C ATOM 1721 CD GLU A 115 -4.011 7.882 -7.815 1.00 0.00 C ATOM 1722 OE1 GLU A 115 -4.952 7.824 -8.636 1.00 0.00 O ATOM 1723 OE2 GLU A 115 -3.843 8.771 -6.952 1.00 0.00 O ATOM 0 H GLU A 115 -0.284 5.747 -10.166 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.288 4.450 -8.439 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.020 7.074 -9.783 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.615 6.356 -9.889 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.324 5.902 -7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -2.046 7.097 -7.398 1.00 0.00 H new ATOM 1730 N ALA A 116 -3.334 3.069 -10.158 1.00 0.00 N ATOM 1731 CA ALA A 116 -3.947 2.197 -11.146 1.00 0.00 C ATOM 1732 C ALA A 116 -5.395 1.914 -10.740 1.00 0.00 C ATOM 1733 O ALA A 116 -5.657 1.493 -9.614 1.00 0.00 O ATOM 1734 CB ALA A 116 -3.119 0.918 -11.283 1.00 0.00 C ATOM 0 H ALA A 116 -3.484 2.787 -9.189 1.00 0.00 H new ATOM 0 HA ALA A 116 -3.966 2.678 -12.124 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.579 0.264 -12.024 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.108 1.172 -11.601 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.079 0.405 -10.322 1.00 0.00 H new ATOM 1740 N LEU A 117 -6.298 2.155 -11.679 1.00 0.00 N ATOM 1741 CA LEU A 117 -7.712 1.931 -11.433 1.00 0.00 C ATOM 1742 C LEU A 117 -8.090 0.525 -11.903 1.00 0.00 C ATOM 1743 O LEU A 117 -7.505 0.005 -12.852 1.00 0.00 O ATOM 1744 CB LEU A 117 -8.549 3.040 -12.074 1.00 0.00 C ATOM 1745 CG LEU A 117 -8.593 4.369 -11.318 1.00 0.00 C ATOM 1746 CD1 LEU A 117 -8.510 5.552 -12.284 1.00 0.00 C ATOM 1747 CD2 LEU A 117 -9.829 4.449 -10.419 1.00 0.00 C ATOM 0 H LEU A 117 -6.078 2.503 -12.612 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.926 1.979 -10.365 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.162 3.227 -13.076 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -9.570 2.677 -12.190 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.719 4.421 -10.669 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.543 6.485 -11.721 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.576 5.500 -12.844 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.351 5.516 -12.976 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.835 5.404 -9.893 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -10.729 4.364 -11.029 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -9.805 3.636 -9.694 1.00 0.00 H new ATOM 1759 N VAL A 118 -9.067 -0.051 -11.217 1.00 0.00 N ATOM 1760 CA VAL A 118 -9.530 -1.387 -11.553 1.00 0.00 C ATOM 1761 C VAL A 118 -10.991 -1.537 -11.125 1.00 0.00 C ATOM 1762 O VAL A 118 -11.332 -1.292 -9.969 1.00 0.00 O ATOM 1763 CB VAL A 118 -8.611 -2.433 -10.920 1.00 0.00 C ATOM 1764 CG1 VAL A 118 -8.536 -2.252 -9.403 1.00 0.00 C ATOM 1765 CG2 VAL A 118 -9.063 -3.850 -11.282 1.00 0.00 C ATOM 0 H VAL A 118 -9.550 0.383 -10.431 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.489 -1.547 -12.630 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.609 -2.287 -11.324 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -7.876 -3.009 -8.978 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.146 -1.260 -9.174 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -9.533 -2.358 -8.974 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -8.393 -4.575 -10.820 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.078 -4.012 -10.920 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -9.040 -3.974 -12.365 1.00 0.00 H new ATOM 1775 N VAL A 119 -11.816 -1.940 -12.081 1.00 0.00 N ATOM 1776 CA VAL A 119 -13.232 -2.126 -11.817 1.00 0.00 C ATOM 1777 C VAL A 119 -13.456 -3.512 -11.209 1.00 0.00 C ATOM 1778 O VAL A 119 -12.690 -4.439 -11.468 1.00 0.00 O ATOM 1779 CB VAL A 119 -14.037 -1.900 -13.099 1.00 0.00 C ATOM 1780 CG1 VAL A 119 -15.375 -2.640 -13.044 1.00 0.00 C ATOM 1781 CG2 VAL A 119 -14.246 -0.407 -13.358 1.00 0.00 C ATOM 0 H VAL A 119 -11.530 -2.143 -13.039 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.585 -1.392 -11.092 1.00 0.00 H new ATOM 0 HB VAL A 119 -13.463 -2.308 -13.931 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -15.927 -2.463 -13.967 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -15.195 -3.709 -12.928 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -15.957 -2.276 -12.197 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.821 -0.274 -14.275 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -14.788 0.035 -12.522 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -13.278 0.083 -13.462 1.00 0.00 H new ATOM 1791 N THR A 120 -14.508 -3.610 -10.410 1.00 0.00 N ATOM 1792 CA THR A 120 -14.842 -4.867 -9.762 1.00 0.00 C ATOM 1793 C THR A 120 -16.043 -5.519 -10.450 1.00 0.00 C ATOM 1794 O THR A 120 -17.161 -5.012 -10.367 1.00 0.00 O ATOM 1795 CB THR A 120 -15.071 -4.587 -8.276 1.00 0.00 C ATOM 1796 OG1 THR A 120 -15.741 -3.329 -8.259 1.00 0.00 O ATOM 1797 CG2 THR A 120 -13.766 -4.323 -7.521 1.00 0.00 C ATOM 0 H THR A 120 -15.141 -2.839 -10.196 1.00 0.00 H new ATOM 0 HA THR A 120 -14.027 -5.586 -9.850 1.00 0.00 H new ATOM 0 HB THR A 120 -15.588 -5.433 -7.823 1.00 0.00 H new ATOM 0 HG1 THR A 120 -16.395 -3.317 -7.529 1.00 0.00 H new ATOM 0 HG21 THR A 120 -13.986 -4.130 -6.471 1.00 0.00 H new ATOM 0 HG22 THR A 120 -13.116 -5.195 -7.602 1.00 0.00 H new ATOM 0 HG23 THR A 120 -13.265 -3.456 -7.952 1.00 0.00 H new ATOM 1805 N THR A 121 -15.772 -6.634 -11.112 1.00 0.00 N ATOM 1806 CA THR A 121 -16.817 -7.361 -11.813 1.00 0.00 C ATOM 1807 C THR A 121 -16.258 -8.654 -12.410 1.00 0.00 C ATOM 1808 O THR A 121 -15.045 -8.857 -12.435 1.00 0.00 O ATOM 1809 CB THR A 121 -17.425 -6.423 -12.858 1.00 0.00 C ATOM 1810 OG1 THR A 121 -18.407 -7.222 -13.512 1.00 0.00 O ATOM 1811 CG2 THR A 121 -16.437 -6.063 -13.969 1.00 0.00 C ATOM 0 H THR A 121 -14.844 -7.052 -11.178 1.00 0.00 H new ATOM 0 HA THR A 121 -17.610 -7.670 -11.132 1.00 0.00 H new ATOM 0 HB THR A 121 -17.769 -5.511 -12.370 1.00 0.00 H new ATOM 0 HG1 THR A 121 -18.852 -6.691 -14.205 1.00 0.00 H new ATOM 0 HG21 THR A 121 -16.920 -5.396 -14.683 1.00 0.00 H new ATOM 0 HG22 THR A 121 -15.569 -5.565 -13.537 1.00 0.00 H new ATOM 0 HG23 THR A 121 -16.117 -6.971 -14.480 1.00 0.00 H new