USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 612 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 81 SER OG : rot -170:sc= 0.446 USER MOD Set 1.2: A 84 GLN : amide:sc= 0.271 X(o=0.72,f=0.94) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc=-0.00657 X(o=-0.0066,f=0) USER MOD Single : A 45 SER OG : rot 52:sc= 0.0726 USER MOD Single : A 66 THR OG1 : rot -47:sc= 0.239 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= -1.8! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -106:sc= -4.66! (180deg=-9.69!) USER MOD Single : A 86 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.0088) USER MOD Single : A 90 HIS :FLIP no HD1:sc= -0.548 F(o=-1.4,f=-0.55) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 102 HIS :FLIP no HD1:sc= -0.229 F(o=-2,f=-0.23) USER MOD Single : A 107 GLN :FLIP amide:sc= -0.672 F(o=-1.3,f=-0.67) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -177:sc= -0.43 USER MOD Single : A 113 GLN : amide:sc= -0.218 K(o=-0.22,f=-2.5!) USER MOD Single : A 117 ASN : amide:sc=-0.00711 X(o=-0.0071,f=0) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 301 N VAL A 32 -3.142 6.469 -6.212 1.00 0.00 N ATOM 302 CA VAL A 32 -1.747 6.125 -5.996 1.00 0.00 C ATOM 303 C VAL A 32 -1.665 4.859 -5.141 1.00 0.00 C ATOM 304 O VAL A 32 -1.167 3.830 -5.594 1.00 0.00 O ATOM 305 CB VAL A 32 -1.004 7.312 -5.379 1.00 0.00 C ATOM 306 CG1 VAL A 32 0.411 6.914 -4.957 1.00 0.00 C ATOM 307 CG2 VAL A 32 -0.975 8.501 -6.342 1.00 0.00 C ATOM 0 HA VAL A 32 -1.256 5.909 -6.945 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.546 7.618 -4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.917 7.776 -4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.359 6.113 -4.219 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.967 6.569 -5.829 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.441 9.331 -5.879 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.468 8.212 -7.262 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.995 8.808 -6.571 1.00 0.00 H new ATOM 317 N GLU A 33 -2.162 4.976 -3.918 1.00 0.00 N ATOM 318 CA GLU A 33 -2.151 3.854 -2.995 1.00 0.00 C ATOM 319 C GLU A 33 -2.622 2.581 -3.702 1.00 0.00 C ATOM 320 O GLU A 33 -1.979 1.537 -3.601 1.00 0.00 O ATOM 321 CB GLU A 33 -3.012 4.148 -1.764 1.00 0.00 C ATOM 322 CG GLU A 33 -3.095 2.925 -0.849 1.00 0.00 C ATOM 323 CD GLU A 33 -4.273 3.045 0.120 1.00 0.00 C ATOM 324 OE1 GLU A 33 -4.194 3.927 1.003 1.00 0.00 O ATOM 325 OE2 GLU A 33 -5.225 2.252 -0.043 1.00 0.00 O ATOM 0 H GLU A 33 -2.575 5.831 -3.545 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.128 3.699 -2.653 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.592 4.990 -1.214 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.014 4.441 -2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.205 2.023 -1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.166 2.823 -0.287 1.00 0.00 H new ATOM 332 N ALA A 34 -3.740 2.710 -4.401 1.00 0.00 N ATOM 333 CA ALA A 34 -4.304 1.583 -5.124 1.00 0.00 C ATOM 334 C ALA A 34 -3.235 0.985 -6.042 1.00 0.00 C ATOM 335 O ALA A 34 -2.991 -0.220 -6.013 1.00 0.00 O ATOM 336 CB ALA A 34 -5.545 2.039 -5.894 1.00 0.00 C ATOM 0 H ALA A 34 -4.270 3.578 -4.482 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.619 0.802 -4.432 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.968 1.193 -6.436 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.285 2.428 -5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.268 2.821 -6.601 1.00 0.00 H new ATOM 342 N ALA A 35 -2.628 1.855 -6.835 1.00 0.00 N ATOM 343 CA ALA A 35 -1.591 1.428 -7.759 1.00 0.00 C ATOM 344 C ALA A 35 -0.524 0.642 -6.995 1.00 0.00 C ATOM 345 O ALA A 35 -0.113 -0.434 -7.426 1.00 0.00 O ATOM 346 CB ALA A 35 -1.013 2.649 -8.477 1.00 0.00 C ATOM 0 H ALA A 35 -2.834 2.854 -6.857 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.005 0.767 -8.521 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.235 2.329 -9.170 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.805 3.155 -9.029 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.587 3.334 -7.744 1.00 0.00 H new ATOM 352 N ILE A 36 -0.106 1.210 -5.873 1.00 0.00 N ATOM 353 CA ILE A 36 0.905 0.576 -5.044 1.00 0.00 C ATOM 354 C ILE A 36 0.502 -0.876 -4.777 1.00 0.00 C ATOM 355 O ILE A 36 1.356 -1.760 -4.719 1.00 0.00 O ATOM 356 CB ILE A 36 1.144 1.391 -3.772 1.00 0.00 C ATOM 357 CG1 ILE A 36 1.678 2.786 -4.107 1.00 0.00 C ATOM 358 CG2 ILE A 36 2.064 0.643 -2.806 1.00 0.00 C ATOM 359 CD1 ILE A 36 2.013 3.565 -2.834 1.00 0.00 C ATOM 0 H ILE A 36 -0.449 2.103 -5.519 1.00 0.00 H new ATOM 0 HA ILE A 36 1.863 0.552 -5.564 1.00 0.00 H new ATOM 0 HB ILE A 36 0.187 1.524 -3.267 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.569 2.699 -4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.936 3.334 -4.688 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.217 1.245 -1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.607 -0.308 -2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.024 0.458 -3.288 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.390 4.552 -3.100 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.115 3.672 -2.226 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.773 3.027 -2.268 1.00 0.00 H new ATOM 371 N ARG A 37 -0.798 -1.077 -4.622 1.00 0.00 N ATOM 372 CA ARG A 37 -1.325 -2.406 -4.363 1.00 0.00 C ATOM 373 C ARG A 37 -1.568 -3.147 -5.680 1.00 0.00 C ATOM 374 O ARG A 37 -0.910 -4.147 -5.964 1.00 0.00 O ATOM 375 CB ARG A 37 -2.635 -2.336 -3.576 1.00 0.00 C ATOM 376 CG ARG A 37 -3.080 -3.729 -3.128 1.00 0.00 C ATOM 377 CD ARG A 37 -4.545 -3.980 -3.492 1.00 0.00 C ATOM 378 NE ARG A 37 -5.053 -5.162 -2.761 1.00 0.00 N ATOM 379 CZ ARG A 37 -6.330 -5.568 -2.784 1.00 0.00 C ATOM 380 NH1 ARG A 37 -7.236 -4.888 -3.499 1.00 0.00 N ATOM 381 NH2 ARG A 37 -6.701 -6.653 -2.090 1.00 0.00 N ATOM 0 H ARG A 37 -1.503 -0.341 -4.671 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.587 -2.945 -3.770 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.506 -1.694 -2.705 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.411 -1.884 -4.194 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.450 -4.484 -3.598 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.947 -3.828 -2.051 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.145 -3.104 -3.245 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.639 -4.138 -4.566 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.390 -5.702 -2.205 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.954 -4.061 -4.026 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.208 -5.197 -3.517 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.011 -7.170 -1.544 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.673 -6.962 -2.108 1.00 0.00 H new ATOM 395 N ALA A 38 -2.514 -2.627 -6.448 1.00 0.00 N ATOM 396 CA ALA A 38 -2.852 -3.227 -7.727 1.00 0.00 C ATOM 397 C ALA A 38 -1.570 -3.688 -8.425 1.00 0.00 C ATOM 398 O ALA A 38 -1.569 -4.700 -9.123 1.00 0.00 O ATOM 399 CB ALA A 38 -3.645 -2.224 -8.568 1.00 0.00 C ATOM 0 H ALA A 38 -3.057 -1.797 -6.209 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.483 -4.104 -7.584 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.899 -2.674 -9.528 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.560 -1.951 -8.042 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.042 -1.331 -8.734 1.00 0.00 H new ATOM 405 N LYS A 39 -0.510 -2.922 -8.210 1.00 0.00 N ATOM 406 CA LYS A 39 0.775 -3.239 -8.810 1.00 0.00 C ATOM 407 C LYS A 39 1.329 -4.515 -8.173 1.00 0.00 C ATOM 408 O LYS A 39 1.359 -5.567 -8.809 1.00 0.00 O ATOM 409 CB LYS A 39 1.722 -2.041 -8.710 1.00 0.00 C ATOM 410 CG LYS A 39 1.323 -0.943 -9.699 1.00 0.00 C ATOM 411 CD LYS A 39 2.396 -0.758 -10.774 1.00 0.00 C ATOM 412 CE LYS A 39 2.074 0.442 -11.668 1.00 0.00 C ATOM 413 NZ LYS A 39 2.039 0.034 -13.090 1.00 0.00 N ATOM 0 H LYS A 39 -0.515 -2.084 -7.629 1.00 0.00 H new ATOM 0 HA LYS A 39 0.660 -3.438 -9.876 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.707 -1.644 -7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.744 -2.363 -8.911 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.373 -1.199 -10.168 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.172 -0.005 -9.165 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.368 -0.614 -10.302 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.467 -1.660 -11.381 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.112 0.868 -11.382 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.823 1.221 -11.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.819 0.860 -13.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.965 -0.352 -13.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.308 -0.693 -13.225 1.00 0.00 H new ATOM 427 N LEU A 40 1.753 -4.380 -6.925 1.00 0.00 N ATOM 428 CA LEU A 40 2.304 -5.509 -6.195 1.00 0.00 C ATOM 429 C LEU A 40 1.378 -6.716 -6.357 1.00 0.00 C ATOM 430 O LEU A 40 1.818 -7.860 -6.247 1.00 0.00 O ATOM 431 CB LEU A 40 2.568 -5.128 -4.738 1.00 0.00 C ATOM 432 CG LEU A 40 3.520 -3.950 -4.514 1.00 0.00 C ATOM 433 CD1 LEU A 40 3.667 -3.639 -3.024 1.00 0.00 C ATOM 434 CD2 LEU A 40 4.872 -4.203 -5.183 1.00 0.00 C ATOM 0 H LEU A 40 1.726 -3.505 -6.401 1.00 0.00 H new ATOM 0 HA LEU A 40 3.273 -5.792 -6.606 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.614 -4.893 -4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.972 -5.999 -4.223 1.00 0.00 H new ATOM 0 HG LEU A 40 3.088 -3.067 -4.985 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.348 -2.798 -2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.692 -3.384 -2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.065 -4.512 -2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.529 -3.351 -5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.323 -5.102 -4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.728 -4.337 -6.255 1.00 0.00 H new ATOM 446 N GLU A 41 0.112 -6.420 -6.615 1.00 0.00 N ATOM 447 CA GLU A 41 -0.880 -7.467 -6.792 1.00 0.00 C ATOM 448 C GLU A 41 -0.527 -8.333 -8.003 1.00 0.00 C ATOM 449 O GLU A 41 -0.644 -9.556 -7.952 1.00 0.00 O ATOM 450 CB GLU A 41 -2.283 -6.874 -6.933 1.00 0.00 C ATOM 451 CG GLU A 41 -2.967 -6.754 -5.569 1.00 0.00 C ATOM 452 CD GLU A 41 -4.468 -6.505 -5.728 1.00 0.00 C ATOM 453 OE1 GLU A 41 -4.809 -5.519 -6.417 1.00 0.00 O ATOM 454 OE2 GLU A 41 -5.240 -7.305 -5.157 1.00 0.00 O ATOM 0 H GLU A 41 -0.249 -5.470 -6.706 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.876 -8.099 -5.904 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.221 -5.891 -7.401 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.883 -7.503 -7.591 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.805 -7.667 -4.995 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.517 -5.938 -5.003 1.00 0.00 H new ATOM 461 N GLN A 42 -0.102 -7.664 -9.065 1.00 0.00 N ATOM 462 CA GLN A 42 0.269 -8.357 -10.287 1.00 0.00 C ATOM 463 C GLN A 42 1.791 -8.391 -10.437 1.00 0.00 C ATOM 464 O GLN A 42 2.313 -8.990 -11.377 1.00 0.00 O ATOM 465 CB GLN A 42 -0.388 -7.707 -11.507 1.00 0.00 C ATOM 466 CG GLN A 42 -0.033 -6.222 -11.595 1.00 0.00 C ATOM 467 CD GLN A 42 -0.435 -5.641 -12.952 1.00 0.00 C ATOM 468 OE1 GLN A 42 -1.575 -5.725 -13.379 1.00 0.00 O ATOM 469 NE2 GLN A 42 0.562 -5.050 -13.604 1.00 0.00 N ATOM 0 H GLN A 42 -0.006 -6.649 -9.104 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.093 -9.383 -10.224 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.063 -8.217 -12.414 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.470 -7.823 -11.447 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.538 -5.676 -10.798 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.038 -6.091 -11.442 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.493 -5.015 -13.189 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.396 -4.632 -14.519 1.00 0.00 H new ATOM 478 N ALA A 43 2.461 -7.741 -9.497 1.00 0.00 N ATOM 479 CA ALA A 43 3.913 -7.689 -9.513 1.00 0.00 C ATOM 480 C ALA A 43 4.468 -8.789 -8.607 1.00 0.00 C ATOM 481 O ALA A 43 5.503 -9.383 -8.907 1.00 0.00 O ATOM 482 CB ALA A 43 4.379 -6.294 -9.090 1.00 0.00 C ATOM 0 H ALA A 43 2.025 -7.246 -8.719 1.00 0.00 H new ATOM 0 HA ALA A 43 4.293 -7.868 -10.519 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.468 -6.255 -9.102 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.982 -5.552 -9.783 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.019 -6.080 -8.084 1.00 0.00 H new ATOM 488 N LEU A 44 3.756 -9.029 -7.516 1.00 0.00 N ATOM 489 CA LEU A 44 4.165 -10.047 -6.564 1.00 0.00 C ATOM 490 C LEU A 44 3.068 -11.109 -6.457 1.00 0.00 C ATOM 491 O LEU A 44 3.357 -12.304 -6.422 1.00 0.00 O ATOM 492 CB LEU A 44 4.536 -9.410 -5.223 1.00 0.00 C ATOM 493 CG LEU A 44 5.748 -8.476 -5.238 1.00 0.00 C ATOM 494 CD1 LEU A 44 5.898 -7.752 -3.898 1.00 0.00 C ATOM 495 CD2 LEU A 44 7.019 -9.233 -5.626 1.00 0.00 C ATOM 0 H LEU A 44 2.898 -8.536 -7.270 1.00 0.00 H new ATOM 0 HA LEU A 44 5.067 -10.552 -6.911 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.675 -8.850 -4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.725 -10.207 -4.504 1.00 0.00 H new ATOM 0 HG LEU A 44 5.583 -7.714 -5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.767 -7.095 -3.935 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.004 -7.161 -3.702 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.031 -8.484 -3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.865 -8.546 -5.629 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.202 -10.030 -4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.897 -9.663 -6.620 1.00 0.00 H new ATOM 507 N SER A 45 1.832 -10.634 -6.408 1.00 0.00 N ATOM 508 CA SER A 45 0.690 -11.527 -6.305 1.00 0.00 C ATOM 509 C SER A 45 0.786 -12.353 -5.021 1.00 0.00 C ATOM 510 O SER A 45 0.807 -13.582 -5.069 1.00 0.00 O ATOM 511 CB SER A 45 0.601 -12.448 -7.524 1.00 0.00 C ATOM 512 OG SER A 45 -0.743 -12.624 -7.963 1.00 0.00 O ATOM 0 H SER A 45 1.596 -9.642 -6.438 1.00 0.00 H new ATOM 0 HA SER A 45 -0.216 -10.922 -6.273 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.196 -12.032 -8.337 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.032 -13.418 -7.277 1.00 0.00 H new ATOM 0 HG SER A 45 -1.164 -11.748 -8.088 1.00 0.00 H new ATOM 518 N PRO A 46 0.842 -11.626 -3.873 1.00 0.00 N ATOM 519 CA PRO A 46 0.934 -12.279 -2.578 1.00 0.00 C ATOM 520 C PRO A 46 -0.412 -12.882 -2.171 1.00 0.00 C ATOM 521 O PRO A 46 -1.380 -12.816 -2.927 1.00 0.00 O ATOM 522 CB PRO A 46 1.412 -11.195 -1.625 1.00 0.00 C ATOM 523 CG PRO A 46 1.124 -9.873 -2.318 1.00 0.00 C ATOM 524 CD PRO A 46 0.818 -10.170 -3.778 1.00 0.00 C ATOM 0 HA PRO A 46 1.624 -13.123 -2.580 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.890 -11.257 -0.670 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.476 -11.302 -1.414 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.280 -9.370 -1.846 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.981 -9.204 -2.236 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.154 -9.770 -4.068 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.559 -9.718 -4.438 1.00 0.00 H new ATOM 532 N GLU A 47 -0.429 -13.458 -0.978 1.00 0.00 N ATOM 533 CA GLU A 47 -1.640 -14.073 -0.461 1.00 0.00 C ATOM 534 C GLU A 47 -2.411 -13.078 0.408 1.00 0.00 C ATOM 535 O GLU A 47 -3.610 -13.240 0.629 1.00 0.00 O ATOM 536 CB GLU A 47 -1.317 -15.348 0.320 1.00 0.00 C ATOM 537 CG GLU A 47 -0.674 -16.399 -0.587 1.00 0.00 C ATOM 538 CD GLU A 47 -1.662 -17.522 -0.912 1.00 0.00 C ATOM 539 OE1 GLU A 47 -2.091 -18.195 0.050 1.00 0.00 O ATOM 540 OE2 GLU A 47 -1.965 -17.681 -2.114 1.00 0.00 O ATOM 0 H GLU A 47 0.376 -13.512 -0.354 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.271 -14.353 -1.305 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.644 -15.113 1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.230 -15.751 0.759 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.335 -15.929 -1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.207 -16.815 -0.099 1.00 0.00 H new ATOM 547 N VAL A 48 -1.692 -12.070 0.879 1.00 0.00 N ATOM 548 CA VAL A 48 -2.293 -11.049 1.720 1.00 0.00 C ATOM 549 C VAL A 48 -1.600 -9.710 1.463 1.00 0.00 C ATOM 550 O VAL A 48 -0.509 -9.463 1.975 1.00 0.00 O ATOM 551 CB VAL A 48 -2.238 -11.480 3.187 1.00 0.00 C ATOM 552 CG1 VAL A 48 -3.096 -10.562 4.060 1.00 0.00 C ATOM 553 CG2 VAL A 48 -2.662 -12.941 3.345 1.00 0.00 C ATOM 0 H VAL A 48 -0.698 -11.938 0.694 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.347 -10.922 1.473 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.205 -11.393 3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.040 -10.890 5.098 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.729 -9.539 3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.132 -10.603 3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.614 -13.222 4.397 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.682 -13.065 2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.992 -13.579 2.768 1.00 0.00 H new ATOM 563 N LEU A 49 -2.261 -8.879 0.670 1.00 0.00 N ATOM 564 CA LEU A 49 -1.722 -7.571 0.340 1.00 0.00 C ATOM 565 C LEU A 49 -2.597 -6.488 0.974 1.00 0.00 C ATOM 566 O LEU A 49 -3.579 -6.050 0.377 1.00 0.00 O ATOM 567 CB LEU A 49 -1.564 -7.424 -1.175 1.00 0.00 C ATOM 568 CG LEU A 49 -0.192 -6.952 -1.663 1.00 0.00 C ATOM 569 CD1 LEU A 49 -0.024 -7.214 -3.161 1.00 0.00 C ATOM 570 CD2 LEU A 49 0.040 -5.482 -1.309 1.00 0.00 C ATOM 0 H LEU A 49 -3.165 -9.087 0.246 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.721 -7.456 0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.781 -8.386 -1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.317 -6.721 -1.533 1.00 0.00 H new ATOM 0 HG LEU A 49 0.573 -7.532 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.959 -6.870 -3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.116 -8.282 -3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.795 -6.677 -3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.022 -5.172 -1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.728 -4.869 -1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.008 -5.356 -0.227 1.00 0.00 H new ATOM 582 N GLU A 50 -2.209 -6.088 2.176 1.00 0.00 N ATOM 583 CA GLU A 50 -2.946 -5.065 2.899 1.00 0.00 C ATOM 584 C GLU A 50 -2.282 -3.700 2.709 1.00 0.00 C ATOM 585 O GLU A 50 -1.057 -3.591 2.745 1.00 0.00 O ATOM 586 CB GLU A 50 -3.062 -5.418 4.383 1.00 0.00 C ATOM 587 CG GLU A 50 -4.241 -6.359 4.632 1.00 0.00 C ATOM 588 CD GLU A 50 -5.534 -5.572 4.857 1.00 0.00 C ATOM 589 OE1 GLU A 50 -6.147 -5.185 3.839 1.00 0.00 O ATOM 590 OE2 GLU A 50 -5.880 -5.375 6.042 1.00 0.00 O ATOM 0 H GLU A 50 -1.394 -6.454 2.668 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.956 -5.016 2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.139 -5.888 4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.189 -4.507 4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.362 -7.029 3.781 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.035 -6.983 5.502 1.00 0.00 H new ATOM 597 N LEU A 51 -3.120 -2.692 2.513 1.00 0.00 N ATOM 598 CA LEU A 51 -2.629 -1.338 2.318 1.00 0.00 C ATOM 599 C LEU A 51 -3.665 -0.344 2.847 1.00 0.00 C ATOM 600 O LEU A 51 -4.852 -0.462 2.549 1.00 0.00 O ATOM 601 CB LEU A 51 -2.251 -1.111 0.853 1.00 0.00 C ATOM 602 CG LEU A 51 -1.845 0.316 0.479 1.00 0.00 C ATOM 603 CD1 LEU A 51 -0.981 0.945 1.574 1.00 0.00 C ATOM 604 CD2 LEU A 51 -1.154 0.349 -0.886 1.00 0.00 C ATOM 0 H LEU A 51 -4.135 -2.786 2.485 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.713 -1.179 2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.427 -1.779 0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.097 -1.402 0.231 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.750 0.918 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.706 1.959 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.542 0.975 2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.078 0.350 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.876 1.375 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.259 -0.272 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.835 -0.032 -1.648 1.00 0.00 H new ATOM 616 N ARG A 52 -3.177 0.612 3.624 1.00 0.00 N ATOM 617 CA ARG A 52 -4.046 1.625 4.198 1.00 0.00 C ATOM 618 C ARG A 52 -3.278 2.935 4.392 1.00 0.00 C ATOM 619 O ARG A 52 -2.061 2.977 4.213 1.00 0.00 O ATOM 620 CB ARG A 52 -4.610 1.169 5.545 1.00 0.00 C ATOM 621 CG ARG A 52 -5.620 0.035 5.360 1.00 0.00 C ATOM 622 CD ARG A 52 -6.845 0.513 4.577 1.00 0.00 C ATOM 623 NE ARG A 52 -7.903 -0.521 4.610 1.00 0.00 N ATOM 624 CZ ARG A 52 -7.947 -1.577 3.787 1.00 0.00 C ATOM 625 NH1 ARG A 52 -6.993 -1.745 2.861 1.00 0.00 N ATOM 626 NH2 ARG A 52 -8.945 -2.466 3.889 1.00 0.00 N ATOM 0 H ARG A 52 -2.191 0.706 3.869 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.873 1.783 3.506 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.797 0.835 6.190 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.089 2.010 6.046 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.148 -0.794 4.833 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.931 -0.342 6.334 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.220 1.443 5.005 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.566 0.727 3.545 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.645 -0.424 5.303 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.233 -1.069 2.783 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.026 -2.549 2.234 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.671 -2.339 4.594 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.978 -3.270 3.262 1.00 0.00 H new ATOM 794 N THR A 66 1.870 10.592 2.012 1.00 0.00 N ATOM 795 CA THR A 66 3.287 10.273 1.986 1.00 0.00 C ATOM 796 C THR A 66 3.564 9.006 2.798 1.00 0.00 C ATOM 797 O THR A 66 4.102 8.033 2.272 1.00 0.00 O ATOM 798 CB THR A 66 4.057 11.496 2.488 1.00 0.00 C ATOM 799 OG1 THR A 66 3.468 11.782 3.753 1.00 0.00 O ATOM 800 CG2 THR A 66 3.775 12.748 1.654 1.00 0.00 C ATOM 0 HA THR A 66 3.623 10.052 0.973 1.00 0.00 H new ATOM 0 HB THR A 66 5.126 11.283 2.473 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.492 11.766 3.670 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.346 13.587 2.052 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.067 12.569 0.619 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.711 12.981 1.696 1.00 0.00 H new ATOM 808 N HIS A 67 3.182 9.059 4.065 1.00 0.00 N ATOM 809 CA HIS A 67 3.382 7.928 4.955 1.00 0.00 C ATOM 810 C HIS A 67 2.312 6.868 4.686 1.00 0.00 C ATOM 811 O HIS A 67 1.139 7.073 4.993 1.00 0.00 O ATOM 812 CB HIS A 67 3.411 8.384 6.415 1.00 0.00 C ATOM 813 CG HIS A 67 4.605 7.882 7.191 1.00 0.00 C ATOM 814 ND1 HIS A 67 4.593 6.695 7.902 1.00 0.00 N ATOM 815 CD2 HIS A 67 5.848 8.418 7.360 1.00 0.00 C ATOM 816 CE1 HIS A 67 5.779 6.534 8.470 1.00 0.00 C ATOM 817 NE2 HIS A 67 6.556 7.603 8.133 1.00 0.00 N ATOM 0 H HIS A 67 2.735 9.868 4.497 1.00 0.00 H new ATOM 0 HA HIS A 67 4.353 7.473 4.758 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.403 9.474 6.445 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.501 8.045 6.909 1.00 0.00 H new ATOM 0 HD2 HIS A 67 6.197 9.348 6.937 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.078 5.702 9.091 1.00 0.00 H new ATOM 0 HE2 HIS A 67 7.522 7.752 8.426 1.00 0.00 H new ATOM 825 N PHE A 68 2.755 5.757 4.116 1.00 0.00 N ATOM 826 CA PHE A 68 1.850 4.665 3.802 1.00 0.00 C ATOM 827 C PHE A 68 2.345 3.351 4.411 1.00 0.00 C ATOM 828 O PHE A 68 3.548 3.149 4.567 1.00 0.00 O ATOM 829 CB PHE A 68 1.824 4.529 2.278 1.00 0.00 C ATOM 830 CG PHE A 68 0.716 5.337 1.600 1.00 0.00 C ATOM 831 CD1 PHE A 68 -0.588 5.086 1.898 1.00 0.00 C ATOM 832 CD2 PHE A 68 1.033 6.305 0.700 1.00 0.00 C ATOM 833 CE1 PHE A 68 -1.617 5.835 1.268 1.00 0.00 C ATOM 834 CE2 PHE A 68 0.004 7.055 0.071 1.00 0.00 C ATOM 835 CZ PHE A 68 -1.299 6.804 0.368 1.00 0.00 C ATOM 0 H PHE A 68 3.729 5.590 3.864 1.00 0.00 H new ATOM 0 HA PHE A 68 0.860 4.873 4.209 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.787 4.846 1.879 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.703 3.477 2.019 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.840 4.317 2.613 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.068 6.504 0.463 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.652 5.635 1.503 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.256 7.825 -0.643 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.081 7.374 -0.111 1.00 0.00 H new ATOM 845 N ARG A 69 1.391 2.492 4.738 1.00 0.00 N ATOM 846 CA ARG A 69 1.714 1.203 5.326 1.00 0.00 C ATOM 847 C ARG A 69 1.131 0.071 4.478 1.00 0.00 C ATOM 848 O ARG A 69 -0.084 -0.016 4.304 1.00 0.00 O ATOM 849 CB ARG A 69 1.169 1.096 6.752 1.00 0.00 C ATOM 850 CG ARG A 69 2.107 0.273 7.637 1.00 0.00 C ATOM 851 CD ARG A 69 2.162 0.843 9.056 1.00 0.00 C ATOM 852 NE ARG A 69 3.024 2.045 9.086 1.00 0.00 N ATOM 853 CZ ARG A 69 3.240 2.788 10.180 1.00 0.00 C ATOM 854 NH1 ARG A 69 2.657 2.457 11.340 1.00 0.00 N ATOM 855 NH2 ARG A 69 4.038 3.863 10.114 1.00 0.00 N ATOM 0 H ARG A 69 0.394 2.663 4.607 1.00 0.00 H new ATOM 0 HA ARG A 69 2.800 1.116 5.357 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.047 2.093 7.174 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.182 0.634 6.734 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.767 -0.762 7.670 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.108 0.266 7.205 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.157 1.098 9.394 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.549 0.091 9.744 1.00 0.00 H new ATOM 0 HE ARG A 69 3.483 2.326 8.219 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.049 1.640 11.390 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.821 3.022 12.173 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.481 4.116 9.231 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.202 4.428 10.947 1.00 0.00 H new ATOM 869 N VAL A 70 2.024 -0.768 3.974 1.00 0.00 N ATOM 870 CA VAL A 70 1.613 -1.891 3.148 1.00 0.00 C ATOM 871 C VAL A 70 2.049 -3.196 3.816 1.00 0.00 C ATOM 872 O VAL A 70 3.054 -3.229 4.525 1.00 0.00 O ATOM 873 CB VAL A 70 2.168 -1.729 1.731 1.00 0.00 C ATOM 874 CG1 VAL A 70 3.516 -2.439 1.587 1.00 0.00 C ATOM 875 CG2 VAL A 70 1.167 -2.235 0.690 1.00 0.00 C ATOM 0 H VAL A 70 3.030 -0.693 4.122 1.00 0.00 H new ATOM 0 HA VAL A 70 0.527 -1.921 3.056 1.00 0.00 H new ATOM 0 HB VAL A 70 2.328 -0.666 1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.889 -2.309 0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.229 -2.013 2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.391 -3.502 1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.585 -2.109 -0.309 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.961 -3.291 0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.240 -1.666 0.770 1.00 0.00 H new ATOM 885 N ALA A 71 1.272 -4.240 3.567 1.00 0.00 N ATOM 886 CA ALA A 71 1.566 -5.544 4.136 1.00 0.00 C ATOM 887 C ALA A 71 1.481 -6.605 3.037 1.00 0.00 C ATOM 888 O ALA A 71 0.390 -7.048 2.679 1.00 0.00 O ATOM 889 CB ALA A 71 0.605 -5.825 5.293 1.00 0.00 C ATOM 0 H ALA A 71 0.439 -4.209 2.979 1.00 0.00 H new ATOM 0 HA ALA A 71 2.578 -5.567 4.540 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.826 -6.803 5.720 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.725 -5.059 6.060 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.421 -5.813 4.925 1.00 0.00 H new ATOM 895 N VAL A 72 2.646 -6.983 2.532 1.00 0.00 N ATOM 896 CA VAL A 72 2.718 -7.984 1.481 1.00 0.00 C ATOM 897 C VAL A 72 2.973 -9.357 2.107 1.00 0.00 C ATOM 898 O VAL A 72 3.795 -9.488 3.012 1.00 0.00 O ATOM 899 CB VAL A 72 3.780 -7.589 0.454 1.00 0.00 C ATOM 900 CG1 VAL A 72 5.175 -7.579 1.083 1.00 0.00 C ATOM 901 CG2 VAL A 72 3.735 -8.514 -0.764 1.00 0.00 C ATOM 0 H VAL A 72 3.548 -6.614 2.831 1.00 0.00 H new ATOM 0 HA VAL A 72 1.771 -8.042 0.944 1.00 0.00 H new ATOM 0 HB VAL A 72 3.558 -6.577 0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.911 -7.295 0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.199 -6.862 1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.410 -8.573 1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.500 -8.212 -1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.919 -9.541 -0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.754 -8.450 -1.234 1.00 0.00 H new ATOM 911 N VAL A 73 2.251 -10.346 1.600 1.00 0.00 N ATOM 912 CA VAL A 73 2.389 -11.704 2.098 1.00 0.00 C ATOM 913 C VAL A 73 2.592 -12.657 0.919 1.00 0.00 C ATOM 914 O VAL A 73 1.626 -13.175 0.361 1.00 0.00 O ATOM 915 CB VAL A 73 1.180 -12.070 2.961 1.00 0.00 C ATOM 916 CG1 VAL A 73 1.250 -13.531 3.412 1.00 0.00 C ATOM 917 CG2 VAL A 73 1.059 -11.131 4.163 1.00 0.00 C ATOM 0 H VAL A 73 1.569 -10.234 0.850 1.00 0.00 H new ATOM 0 HA VAL A 73 3.267 -11.788 2.739 1.00 0.00 H new ATOM 0 HB VAL A 73 0.285 -11.950 2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.379 -13.765 4.024 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.265 -14.181 2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.157 -13.688 3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.192 -11.413 4.759 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.959 -11.204 4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.940 -10.106 3.813 1.00 0.00 H new ATOM 927 N SER A 74 3.855 -12.860 0.574 1.00 0.00 N ATOM 928 CA SER A 74 4.197 -13.742 -0.529 1.00 0.00 C ATOM 929 C SER A 74 5.391 -14.619 -0.147 1.00 0.00 C ATOM 930 O SER A 74 6.139 -14.290 0.772 1.00 0.00 O ATOM 931 CB SER A 74 4.509 -12.943 -1.796 1.00 0.00 C ATOM 932 OG SER A 74 3.697 -13.347 -2.896 1.00 0.00 O ATOM 0 H SER A 74 4.654 -12.429 1.039 1.00 0.00 H new ATOM 0 HA SER A 74 3.338 -14.380 -0.736 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.355 -11.881 -1.602 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.560 -13.070 -2.055 1.00 0.00 H new ATOM 0 HG SER A 74 3.925 -12.812 -3.685 1.00 0.00 H new ATOM 938 N SER A 75 5.533 -15.719 -0.873 1.00 0.00 N ATOM 939 CA SER A 75 6.624 -16.645 -0.622 1.00 0.00 C ATOM 940 C SER A 75 7.905 -16.140 -1.288 1.00 0.00 C ATOM 941 O SER A 75 8.985 -16.681 -1.056 1.00 0.00 O ATOM 942 CB SER A 75 6.281 -18.049 -1.126 1.00 0.00 C ATOM 943 OG SER A 75 6.598 -18.212 -2.505 1.00 0.00 O ATOM 0 H SER A 75 4.911 -15.989 -1.635 1.00 0.00 H new ATOM 0 HA SER A 75 6.782 -16.703 0.455 1.00 0.00 H new ATOM 0 HB2 SER A 75 6.826 -18.788 -0.539 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.219 -18.240 -0.973 1.00 0.00 H new ATOM 0 HG SER A 75 6.366 -19.121 -2.789 1.00 0.00 H new ATOM 949 N ARG A 76 7.742 -15.108 -2.103 1.00 0.00 N ATOM 950 CA ARG A 76 8.872 -14.523 -2.805 1.00 0.00 C ATOM 951 C ARG A 76 10.016 -14.242 -1.829 1.00 0.00 C ATOM 952 O ARG A 76 11.177 -14.506 -2.135 1.00 0.00 O ATOM 953 CB ARG A 76 8.473 -13.220 -3.502 1.00 0.00 C ATOM 954 CG ARG A 76 7.738 -13.503 -4.814 1.00 0.00 C ATOM 955 CD ARG A 76 8.665 -13.304 -6.015 1.00 0.00 C ATOM 956 NE ARG A 76 9.863 -14.162 -5.877 1.00 0.00 N ATOM 957 CZ ARG A 76 10.596 -14.600 -6.909 1.00 0.00 C ATOM 958 NH1 ARG A 76 10.258 -14.265 -8.161 1.00 0.00 N ATOM 959 NH2 ARG A 76 11.668 -15.374 -6.689 1.00 0.00 N ATOM 0 H ARG A 76 6.845 -14.662 -2.293 1.00 0.00 H new ATOM 0 HA ARG A 76 9.201 -15.239 -3.558 1.00 0.00 H new ATOM 0 HB2 ARG A 76 7.835 -12.632 -2.843 1.00 0.00 H new ATOM 0 HB3 ARG A 76 9.363 -12.623 -3.701 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.357 -14.524 -4.809 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.876 -12.842 -4.902 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.137 -13.548 -6.937 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.963 -12.258 -6.086 1.00 0.00 H new ATOM 0 HE ARG A 76 10.148 -14.437 -4.937 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.442 -13.676 -8.329 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.816 -14.599 -8.947 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.926 -15.629 -5.736 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.226 -15.708 -7.475 1.00 0.00 H new ATOM 973 N PHE A 77 9.647 -13.711 -0.672 1.00 0.00 N ATOM 974 CA PHE A 77 10.628 -13.391 0.351 1.00 0.00 C ATOM 975 C PHE A 77 10.884 -14.595 1.260 1.00 0.00 C ATOM 976 O PHE A 77 10.996 -14.447 2.476 1.00 0.00 O ATOM 977 CB PHE A 77 10.045 -12.251 1.188 1.00 0.00 C ATOM 978 CG PHE A 77 9.269 -11.214 0.373 1.00 0.00 C ATOM 979 CD1 PHE A 77 9.882 -10.553 -0.646 1.00 0.00 C ATOM 980 CD2 PHE A 77 7.967 -10.953 0.667 1.00 0.00 C ATOM 981 CE1 PHE A 77 9.162 -9.591 -1.402 1.00 0.00 C ATOM 982 CE2 PHE A 77 7.247 -9.991 -0.089 1.00 0.00 C ATOM 983 CZ PHE A 77 7.860 -9.330 -1.108 1.00 0.00 C ATOM 0 H PHE A 77 8.682 -13.495 -0.421 1.00 0.00 H new ATOM 0 HA PHE A 77 11.574 -13.112 -0.114 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.384 -12.672 1.945 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.856 -11.750 1.716 1.00 0.00 H new ATOM 0 HD1 PHE A 77 10.916 -10.760 -0.880 1.00 0.00 H new ATOM 0 HD2 PHE A 77 7.481 -11.478 1.476 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.648 -9.066 -2.211 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.213 -9.784 0.145 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.313 -8.598 -1.683 1.00 0.00 H new ATOM 993 N GLU A 78 10.970 -15.760 0.634 1.00 0.00 N ATOM 994 CA GLU A 78 11.212 -16.989 1.371 1.00 0.00 C ATOM 995 C GLU A 78 12.689 -17.097 1.754 1.00 0.00 C ATOM 996 O GLU A 78 13.432 -17.878 1.161 1.00 0.00 O ATOM 997 CB GLU A 78 10.763 -18.209 0.565 1.00 0.00 C ATOM 998 CG GLU A 78 9.431 -18.752 1.086 1.00 0.00 C ATOM 999 CD GLU A 78 9.566 -20.213 1.519 1.00 0.00 C ATOM 1000 OE1 GLU A 78 10.371 -20.459 2.444 1.00 0.00 O ATOM 1001 OE2 GLU A 78 8.862 -21.051 0.916 1.00 0.00 O ATOM 0 H GLU A 78 10.876 -15.879 -0.375 1.00 0.00 H new ATOM 0 HA GLU A 78 10.621 -16.963 2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.663 -17.938 -0.486 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.524 -18.987 0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.093 -18.149 1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.671 -18.668 0.309 1.00 0.00 H new ATOM 1008 N GLY A 79 13.072 -16.302 2.742 1.00 0.00 N ATOM 1009 CA GLY A 79 14.447 -16.298 3.210 1.00 0.00 C ATOM 1010 C GLY A 79 15.181 -15.038 2.747 1.00 0.00 C ATOM 1011 O GLY A 79 16.133 -14.598 3.390 1.00 0.00 O ATOM 0 H GLY A 79 12.453 -15.656 3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.464 -16.354 4.298 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.964 -17.182 2.837 1.00 0.00 H new ATOM 1015 N MET A 80 14.710 -14.493 1.635 1.00 0.00 N ATOM 1016 CA MET A 80 15.310 -13.292 1.078 1.00 0.00 C ATOM 1017 C MET A 80 15.675 -12.299 2.183 1.00 0.00 C ATOM 1018 O MET A 80 15.118 -12.351 3.278 1.00 0.00 O ATOM 1019 CB MET A 80 14.329 -12.636 0.104 1.00 0.00 C ATOM 1020 CG MET A 80 14.275 -13.402 -1.219 1.00 0.00 C ATOM 1021 SD MET A 80 13.179 -12.573 -2.359 1.00 0.00 S ATOM 1022 CE MET A 80 14.295 -11.353 -3.030 1.00 0.00 C ATOM 0 H MET A 80 13.920 -14.861 1.105 1.00 0.00 H new ATOM 0 HA MET A 80 16.223 -13.574 0.553 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.335 -12.603 0.550 1.00 0.00 H new ATOM 0 HB3 MET A 80 14.629 -11.605 -0.081 1.00 0.00 H new ATOM 0 HG2 MET A 80 15.274 -13.473 -1.649 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.929 -14.421 -1.045 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.052 -10.373 -2.619 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.320 -11.613 -2.766 1.00 0.00 H new ATOM 0 HE3 MET A 80 14.195 -11.327 -4.115 1.00 0.00 H new ATOM 1032 N SER A 81 16.608 -11.417 1.857 1.00 0.00 N ATOM 1033 CA SER A 81 17.054 -10.413 2.808 1.00 0.00 C ATOM 1034 C SER A 81 15.900 -9.468 3.151 1.00 0.00 C ATOM 1035 O SER A 81 14.956 -9.328 2.375 1.00 0.00 O ATOM 1036 CB SER A 81 18.242 -9.621 2.257 1.00 0.00 C ATOM 1037 OG SER A 81 19.337 -10.468 1.920 1.00 0.00 O ATOM 0 H SER A 81 17.068 -11.377 0.947 1.00 0.00 H new ATOM 0 HA SER A 81 17.381 -10.922 3.715 1.00 0.00 H new ATOM 0 HB2 SER A 81 17.929 -9.065 1.374 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.564 -8.889 2.997 1.00 0.00 H new ATOM 0 HG SER A 81 20.126 -9.920 1.723 1.00 0.00 H new ATOM 1043 N PRO A 82 16.017 -8.828 4.346 1.00 0.00 N ATOM 1044 CA PRO A 82 14.995 -7.901 4.801 1.00 0.00 C ATOM 1045 C PRO A 82 15.081 -6.575 4.043 1.00 0.00 C ATOM 1046 O PRO A 82 14.094 -5.848 3.943 1.00 0.00 O ATOM 1047 CB PRO A 82 15.239 -7.749 6.294 1.00 0.00 C ATOM 1048 CG PRO A 82 16.662 -8.227 6.534 1.00 0.00 C ATOM 1049 CD PRO A 82 17.121 -8.970 5.291 1.00 0.00 C ATOM 0 HA PRO A 82 13.984 -8.262 4.611 1.00 0.00 H new ATOM 0 HB2 PRO A 82 15.117 -6.712 6.606 1.00 0.00 H new ATOM 0 HB3 PRO A 82 14.526 -8.340 6.869 1.00 0.00 H new ATOM 0 HG2 PRO A 82 17.319 -7.382 6.738 1.00 0.00 H new ATOM 0 HG3 PRO A 82 16.703 -8.880 7.406 1.00 0.00 H new ATOM 0 HD2 PRO A 82 18.041 -8.544 4.892 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.324 -10.019 5.509 1.00 0.00 H new ATOM 1057 N LEU A 83 16.271 -6.300 3.529 1.00 0.00 N ATOM 1058 CA LEU A 83 16.498 -5.074 2.783 1.00 0.00 C ATOM 1059 C LEU A 83 16.061 -5.277 1.331 1.00 0.00 C ATOM 1060 O LEU A 83 15.398 -4.417 0.753 1.00 0.00 O ATOM 1061 CB LEU A 83 17.952 -4.619 2.930 1.00 0.00 C ATOM 1062 CG LEU A 83 18.231 -3.619 4.053 1.00 0.00 C ATOM 1063 CD1 LEU A 83 19.734 -3.378 4.212 1.00 0.00 C ATOM 1064 CD2 LEU A 83 17.462 -2.315 3.831 1.00 0.00 C ATOM 0 H LEU A 83 17.088 -6.905 3.614 1.00 0.00 H new ATOM 0 HA LEU A 83 15.892 -4.264 3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.573 -5.500 3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 83 18.270 -4.174 1.987 1.00 0.00 H new ATOM 0 HG LEU A 83 17.873 -4.048 4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 83 19.905 -2.663 5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 83 20.230 -4.319 4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 83 20.139 -2.980 3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 83 17.679 -1.622 4.644 1.00 0.00 H new ATOM 0 HD22 LEU A 83 17.766 -1.870 2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 83 16.392 -2.523 3.807 1.00 0.00 H new ATOM 1076 N GLN A 84 16.451 -6.419 0.783 1.00 0.00 N ATOM 1077 CA GLN A 84 16.107 -6.745 -0.590 1.00 0.00 C ATOM 1078 C GLN A 84 14.588 -6.744 -0.772 1.00 0.00 C ATOM 1079 O GLN A 84 14.074 -6.154 -1.722 1.00 0.00 O ATOM 1080 CB GLN A 84 16.707 -8.092 -1.000 1.00 0.00 C ATOM 1081 CG GLN A 84 18.224 -7.987 -1.173 1.00 0.00 C ATOM 1082 CD GLN A 84 18.784 -9.229 -1.868 1.00 0.00 C ATOM 1083 OE1 GLN A 84 18.798 -9.339 -3.083 1.00 0.00 O ATOM 1084 NE2 GLN A 84 19.244 -10.156 -1.032 1.00 0.00 N ATOM 0 H GLN A 84 17.002 -7.129 1.265 1.00 0.00 H new ATOM 0 HA GLN A 84 16.532 -5.981 -1.241 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.475 -8.843 -0.245 1.00 0.00 H new ATOM 0 HB3 GLN A 84 16.253 -8.427 -1.933 1.00 0.00 H new ATOM 0 HG2 GLN A 84 18.466 -7.099 -1.757 1.00 0.00 H new ATOM 0 HG3 GLN A 84 18.697 -7.867 -0.198 1.00 0.00 H new ATOM 0 HE21 GLN A 84 19.202 -10.000 -0.025 1.00 0.00 H new ATOM 0 HE22 GLN A 84 19.639 -11.022 -1.398 1.00 0.00 H new ATOM 1093 N ARG A 85 13.913 -7.410 0.152 1.00 0.00 N ATOM 1094 CA ARG A 85 12.463 -7.493 0.105 1.00 0.00 C ATOM 1095 C ARG A 85 11.869 -6.157 -0.347 1.00 0.00 C ATOM 1096 O ARG A 85 11.146 -6.100 -1.340 1.00 0.00 O ATOM 1097 CB ARG A 85 11.888 -7.861 1.475 1.00 0.00 C ATOM 1098 CG ARG A 85 12.009 -9.364 1.734 1.00 0.00 C ATOM 1099 CD ARG A 85 11.759 -9.688 3.208 1.00 0.00 C ATOM 1100 NE ARG A 85 12.397 -10.976 3.559 1.00 0.00 N ATOM 1101 CZ ARG A 85 12.476 -11.460 4.806 1.00 0.00 C ATOM 1102 NH1 ARG A 85 11.957 -10.767 5.828 1.00 0.00 N ATOM 1103 NH2 ARG A 85 13.074 -12.639 5.031 1.00 0.00 N ATOM 0 H ARG A 85 14.343 -7.898 0.938 1.00 0.00 H new ATOM 0 HA ARG A 85 12.198 -8.273 -0.609 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.415 -7.310 2.254 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.841 -7.563 1.526 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.293 -9.902 1.113 1.00 0.00 H new ATOM 0 HG3 ARG A 85 13.003 -9.708 1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.158 -8.892 3.836 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.687 -9.739 3.401 1.00 0.00 H new ATOM 0 HE ARG A 85 12.802 -11.530 2.805 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.501 -9.871 5.657 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.017 -11.136 6.777 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.469 -13.167 4.253 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.134 -13.007 5.980 1.00 0.00 H new ATOM 1117 N HIS A 86 12.197 -5.116 0.404 1.00 0.00 N ATOM 1118 CA HIS A 86 11.705 -3.785 0.093 1.00 0.00 C ATOM 1119 C HIS A 86 12.103 -3.411 -1.336 1.00 0.00 C ATOM 1120 O HIS A 86 11.267 -2.967 -2.122 1.00 0.00 O ATOM 1121 CB HIS A 86 12.193 -2.769 1.128 1.00 0.00 C ATOM 1122 CG HIS A 86 11.580 -2.946 2.497 1.00 0.00 C ATOM 1123 ND1 HIS A 86 11.385 -1.892 3.373 1.00 0.00 N ATOM 1124 CD2 HIS A 86 11.120 -4.063 3.131 1.00 0.00 C ATOM 1125 CE1 HIS A 86 10.834 -2.365 4.481 1.00 0.00 C ATOM 1126 NE2 HIS A 86 10.671 -3.711 4.329 1.00 0.00 N ATOM 0 H HIS A 86 12.797 -5.167 1.227 1.00 0.00 H new ATOM 0 HA HIS A 86 10.616 -3.776 0.145 1.00 0.00 H new ATOM 0 HB2 HIS A 86 13.277 -2.845 1.214 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.971 -1.764 0.769 1.00 0.00 H new ATOM 0 HD2 HIS A 86 11.121 -5.064 2.726 1.00 0.00 H new ATOM 0 HE1 HIS A 86 10.562 -1.787 5.352 1.00 0.00 H new ATOM 0 HE2 HIS A 86 10.270 -4.343 5.022 1.00 0.00 H new ATOM 1134 N ARG A 87 13.380 -3.605 -1.630 1.00 0.00 N ATOM 1135 CA ARG A 87 13.900 -3.295 -2.951 1.00 0.00 C ATOM 1136 C ARG A 87 12.962 -3.837 -4.032 1.00 0.00 C ATOM 1137 O ARG A 87 12.598 -3.117 -4.961 1.00 0.00 O ATOM 1138 CB ARG A 87 15.294 -3.893 -3.150 1.00 0.00 C ATOM 1139 CG ARG A 87 15.932 -3.381 -4.442 1.00 0.00 C ATOM 1140 CD ARG A 87 17.028 -4.332 -4.928 1.00 0.00 C ATOM 1141 NE ARG A 87 16.525 -5.149 -6.055 1.00 0.00 N ATOM 1142 CZ ARG A 87 16.264 -4.665 -7.276 1.00 0.00 C ATOM 1143 NH1 ARG A 87 16.456 -3.365 -7.537 1.00 0.00 N ATOM 1144 NH2 ARG A 87 15.811 -5.481 -8.238 1.00 0.00 N ATOM 0 H ARG A 87 14.070 -3.973 -0.976 1.00 0.00 H new ATOM 0 HA ARG A 87 13.967 -2.210 -3.033 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.928 -3.637 -2.301 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.226 -4.980 -3.180 1.00 0.00 H new ATOM 0 HG2 ARG A 87 15.168 -3.277 -5.212 1.00 0.00 H new ATOM 0 HG3 ARG A 87 16.354 -2.390 -4.275 1.00 0.00 H new ATOM 0 HD2 ARG A 87 17.902 -3.762 -5.243 1.00 0.00 H new ATOM 0 HD3 ARG A 87 17.347 -4.980 -4.112 1.00 0.00 H new ATOM 0 HE ARG A 87 16.367 -6.143 -5.891 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.801 -2.744 -6.806 1.00 0.00 H new ATOM 0 HH12 ARG A 87 16.257 -2.997 -8.467 1.00 0.00 H new ATOM 0 HH21 ARG A 87 15.665 -6.471 -8.040 1.00 0.00 H new ATOM 0 HH22 ARG A 87 15.612 -5.112 -9.168 1.00 0.00 H new ATOM 1158 N LEU A 88 12.597 -5.101 -3.874 1.00 0.00 N ATOM 1159 CA LEU A 88 11.708 -5.747 -4.824 1.00 0.00 C ATOM 1160 C LEU A 88 10.440 -4.906 -4.984 1.00 0.00 C ATOM 1161 O LEU A 88 9.997 -4.649 -6.103 1.00 0.00 O ATOM 1162 CB LEU A 88 11.437 -7.194 -4.406 1.00 0.00 C ATOM 1163 CG LEU A 88 12.054 -8.276 -5.294 1.00 0.00 C ATOM 1164 CD1 LEU A 88 13.137 -9.051 -4.542 1.00 0.00 C ATOM 1165 CD2 LEU A 88 10.975 -9.201 -5.861 1.00 0.00 C ATOM 0 H LEU A 88 12.901 -5.695 -3.102 1.00 0.00 H new ATOM 0 HA LEU A 88 12.178 -5.805 -5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 88 11.805 -7.333 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.358 -7.347 -4.378 1.00 0.00 H new ATOM 0 HG LEU A 88 12.537 -7.789 -6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.559 -9.814 -5.196 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.924 -8.365 -4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 88 12.700 -9.527 -3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.440 -9.961 -6.489 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.442 -9.683 -5.042 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.273 -8.618 -6.457 1.00 0.00 H new ATOM 1177 N VAL A 89 9.891 -4.498 -3.849 1.00 0.00 N ATOM 1178 CA VAL A 89 8.683 -3.691 -3.849 1.00 0.00 C ATOM 1179 C VAL A 89 9.000 -2.308 -4.421 1.00 0.00 C ATOM 1180 O VAL A 89 8.315 -1.835 -5.327 1.00 0.00 O ATOM 1181 CB VAL A 89 8.092 -3.634 -2.439 1.00 0.00 C ATOM 1182 CG1 VAL A 89 6.613 -3.246 -2.480 1.00 0.00 C ATOM 1183 CG2 VAL A 89 8.290 -4.963 -1.707 1.00 0.00 C ATOM 0 H VAL A 89 10.261 -4.712 -2.923 1.00 0.00 H new ATOM 0 HA VAL A 89 7.923 -4.141 -4.487 1.00 0.00 H new ATOM 0 HB VAL A 89 8.626 -2.863 -1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.217 -3.213 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.507 -2.265 -2.943 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.059 -3.983 -3.061 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.861 -4.895 -0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.795 -5.761 -2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.355 -5.181 -1.631 1.00 0.00 H new ATOM 1193 N HIS A 90 10.037 -1.697 -3.868 1.00 0.00 N ATOM 1194 CA HIS A 90 10.453 -0.377 -4.311 1.00 0.00 C ATOM 1195 C HIS A 90 10.582 -0.365 -5.836 1.00 0.00 C ATOM 1196 O HIS A 90 10.085 0.545 -6.497 1.00 0.00 O ATOM 1197 CB HIS A 90 11.739 0.054 -3.604 1.00 0.00 C ATOM 1198 CG HIS A 90 11.580 0.270 -2.118 1.00 0.00 C ATOM 1199 ND1 HIS A 90 10.466 0.265 -1.331 1.00 0.00 N flip ATOM 1200 CD2 HIS A 90 12.650 0.526 -1.279 1.00 0.00 C flip ATOM 1201 CE1 HIS A 90 10.836 0.505 -0.079 1.00 0.00 C flip ATOM 1202 NE2 HIS A 90 12.190 0.667 -0.045 1.00 0.00 N flip ATOM 0 H HIS A 90 10.602 -2.092 -3.116 1.00 0.00 H new ATOM 0 HA HIS A 90 9.695 0.357 -4.039 1.00 0.00 H new ATOM 0 HB2 HIS A 90 12.505 -0.704 -3.771 1.00 0.00 H new ATOM 0 HB3 HIS A 90 12.100 0.977 -4.058 1.00 0.00 H new ATOM 0 HD2 HIS A 90 13.685 0.599 -1.579 1.00 0.00 H new ATOM 0 HE1 HIS A 90 10.174 0.563 0.772 1.00 0.00 H new ATOM 0 HE2 HIS A 90 12.750 0.862 0.785 1.00 0.00 H new ATOM 1210 N GLU A 91 11.251 -1.387 -6.349 1.00 0.00 N ATOM 1211 CA GLU A 91 11.452 -1.506 -7.783 1.00 0.00 C ATOM 1212 C GLU A 91 10.113 -1.401 -8.517 1.00 0.00 C ATOM 1213 O GLU A 91 9.994 -0.665 -9.495 1.00 0.00 O ATOM 1214 CB GLU A 91 12.166 -2.814 -8.130 1.00 0.00 C ATOM 1215 CG GLU A 91 13.520 -2.541 -8.789 1.00 0.00 C ATOM 1216 CD GLU A 91 13.849 -3.612 -9.831 1.00 0.00 C ATOM 1217 OE1 GLU A 91 13.664 -4.802 -9.498 1.00 0.00 O ATOM 1218 OE2 GLU A 91 14.277 -3.215 -10.936 1.00 0.00 O ATOM 0 H GLU A 91 11.661 -2.140 -5.797 1.00 0.00 H new ATOM 0 HA GLU A 91 12.089 -0.685 -8.110 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.310 -3.405 -7.225 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.543 -3.405 -8.801 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.506 -1.560 -9.263 1.00 0.00 H new ATOM 0 HG3 GLU A 91 14.300 -2.517 -8.028 1.00 0.00 H new ATOM 1225 N ALA A 92 9.140 -2.147 -8.016 1.00 0.00 N ATOM 1226 CA ALA A 92 7.815 -2.147 -8.612 1.00 0.00 C ATOM 1227 C ALA A 92 7.161 -0.782 -8.390 1.00 0.00 C ATOM 1228 O ALA A 92 6.532 -0.236 -9.296 1.00 0.00 O ATOM 1229 CB ALA A 92 6.989 -3.292 -8.021 1.00 0.00 C ATOM 0 H ALA A 92 9.243 -2.756 -7.204 1.00 0.00 H new ATOM 0 HA ALA A 92 7.878 -2.312 -9.688 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.995 -3.292 -8.468 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.481 -4.242 -8.231 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.902 -3.159 -6.943 1.00 0.00 H new ATOM 1235 N LEU A 93 7.331 -0.269 -7.180 1.00 0.00 N ATOM 1236 CA LEU A 93 6.766 1.022 -6.828 1.00 0.00 C ATOM 1237 C LEU A 93 7.898 2.029 -6.614 1.00 0.00 C ATOM 1238 O LEU A 93 8.039 2.587 -5.527 1.00 0.00 O ATOM 1239 CB LEU A 93 5.827 0.887 -5.627 1.00 0.00 C ATOM 1240 CG LEU A 93 4.558 0.065 -5.858 1.00 0.00 C ATOM 1241 CD1 LEU A 93 4.036 0.249 -7.284 1.00 0.00 C ATOM 1242 CD2 LEU A 93 4.789 -1.409 -5.518 1.00 0.00 C ATOM 0 H LEU A 93 7.852 -0.725 -6.431 1.00 0.00 H new ATOM 0 HA LEU A 93 6.151 1.403 -7.643 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.383 0.437 -4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.535 1.887 -5.305 1.00 0.00 H new ATOM 0 HG LEU A 93 3.786 0.434 -5.183 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.133 -0.347 -7.421 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.806 1.301 -7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.796 -0.076 -7.994 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.871 -1.971 -5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.583 -1.808 -6.149 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.078 -1.500 -4.471 1.00 0.00 H new ATOM 1254 N SER A 94 8.675 2.231 -7.668 1.00 0.00 N ATOM 1255 CA SER A 94 9.790 3.160 -7.609 1.00 0.00 C ATOM 1256 C SER A 94 9.286 4.594 -7.790 1.00 0.00 C ATOM 1257 O SER A 94 9.738 5.506 -7.101 1.00 0.00 O ATOM 1258 CB SER A 94 10.841 2.828 -8.670 1.00 0.00 C ATOM 1259 OG SER A 94 12.146 3.246 -8.278 1.00 0.00 O ATOM 0 H SER A 94 8.554 1.767 -8.568 1.00 0.00 H new ATOM 0 HA SER A 94 10.261 3.068 -6.630 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.844 1.754 -8.853 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.573 3.311 -9.610 1.00 0.00 H new ATOM 0 HG SER A 94 12.789 3.015 -8.981 1.00 0.00 H new ATOM 1265 N GLU A 95 8.357 4.747 -8.722 1.00 0.00 N ATOM 1266 CA GLU A 95 7.787 6.054 -9.003 1.00 0.00 C ATOM 1267 C GLU A 95 6.880 6.496 -7.854 1.00 0.00 C ATOM 1268 O GLU A 95 6.542 7.673 -7.742 1.00 0.00 O ATOM 1269 CB GLU A 95 7.026 6.046 -10.331 1.00 0.00 C ATOM 1270 CG GLU A 95 7.881 6.629 -11.457 1.00 0.00 C ATOM 1271 CD GLU A 95 7.399 6.136 -12.823 1.00 0.00 C ATOM 1272 OE1 GLU A 95 6.392 6.697 -13.305 1.00 0.00 O ATOM 1273 OE2 GLU A 95 8.049 5.210 -13.354 1.00 0.00 O ATOM 0 H GLU A 95 7.985 3.988 -9.292 1.00 0.00 H new ATOM 0 HA GLU A 95 8.602 6.772 -9.093 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.735 5.026 -10.581 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.107 6.624 -10.231 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.839 7.718 -11.424 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.923 6.345 -11.311 1.00 0.00 H new ATOM 1280 N GLU A 96 6.511 5.528 -7.027 1.00 0.00 N ATOM 1281 CA GLU A 96 5.650 5.802 -5.890 1.00 0.00 C ATOM 1282 C GLU A 96 6.443 6.492 -4.778 1.00 0.00 C ATOM 1283 O GLU A 96 5.980 7.473 -4.198 1.00 0.00 O ATOM 1284 CB GLU A 96 4.991 4.520 -5.379 1.00 0.00 C ATOM 1285 CG GLU A 96 4.234 3.807 -6.501 1.00 0.00 C ATOM 1286 CD GLU A 96 2.972 4.580 -6.889 1.00 0.00 C ATOM 1287 OE1 GLU A 96 2.807 5.699 -6.357 1.00 0.00 O ATOM 1288 OE2 GLU A 96 2.202 4.036 -7.709 1.00 0.00 O ATOM 0 H GLU A 96 6.793 4.552 -7.123 1.00 0.00 H new ATOM 0 HA GLU A 96 4.856 6.474 -6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.751 3.855 -4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.304 4.759 -4.567 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.882 3.701 -7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.964 2.801 -6.180 1.00 0.00 H new ATOM 1295 N LEU A 97 7.623 5.952 -4.514 1.00 0.00 N ATOM 1296 CA LEU A 97 8.485 6.504 -3.482 1.00 0.00 C ATOM 1297 C LEU A 97 9.466 7.491 -4.117 1.00 0.00 C ATOM 1298 O LEU A 97 10.313 8.059 -3.429 1.00 0.00 O ATOM 1299 CB LEU A 97 9.164 5.381 -2.695 1.00 0.00 C ATOM 1300 CG LEU A 97 8.244 4.278 -2.170 1.00 0.00 C ATOM 1301 CD1 LEU A 97 8.890 2.901 -2.333 1.00 0.00 C ATOM 1302 CD2 LEU A 97 7.833 4.551 -0.721 1.00 0.00 C ATOM 0 H LEU A 97 8.003 5.138 -4.997 1.00 0.00 H new ATOM 0 HA LEU A 97 7.898 7.063 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 97 9.920 4.923 -3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.688 5.824 -1.848 1.00 0.00 H new ATOM 0 HG LEU A 97 7.333 4.279 -2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.215 2.135 -1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.090 2.716 -3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.826 2.870 -1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.179 3.752 -0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.722 4.593 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.304 5.503 -0.666 1.00 0.00 H new ATOM 1314 N ALA A 98 9.319 7.666 -5.422 1.00 0.00 N ATOM 1315 CA ALA A 98 10.182 8.575 -6.157 1.00 0.00 C ATOM 1316 C ALA A 98 9.338 9.705 -6.751 1.00 0.00 C ATOM 1317 O ALA A 98 9.542 10.100 -7.898 1.00 0.00 O ATOM 1318 CB ALA A 98 10.950 7.797 -7.228 1.00 0.00 C ATOM 0 H ALA A 98 8.615 7.194 -5.989 1.00 0.00 H new ATOM 0 HA ALA A 98 10.918 9.027 -5.492 1.00 0.00 H new ATOM 0 HB1 ALA A 98 11.597 8.479 -7.779 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.556 7.026 -6.753 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.244 7.331 -7.916 1.00 0.00 H new ATOM 1324 N GLY A 99 8.408 10.192 -5.943 1.00 0.00 N ATOM 1325 CA GLY A 99 7.532 11.269 -6.374 1.00 0.00 C ATOM 1326 C GLY A 99 6.488 11.588 -5.302 1.00 0.00 C ATOM 1327 O GLY A 99 6.645 12.541 -4.541 1.00 0.00 O ATOM 0 H GLY A 99 8.242 9.861 -4.993 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.123 12.160 -6.588 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.032 10.988 -7.301 1.00 0.00 H new ATOM 1331 N PRO A 100 5.416 10.751 -5.277 1.00 0.00 N ATOM 1332 CA PRO A 100 4.346 10.935 -4.311 1.00 0.00 C ATOM 1333 C PRO A 100 4.780 10.477 -2.918 1.00 0.00 C ATOM 1334 O PRO A 100 5.069 11.301 -2.051 1.00 0.00 O ATOM 1335 CB PRO A 100 3.177 10.134 -4.862 1.00 0.00 C ATOM 1336 CG PRO A 100 3.775 9.161 -5.866 1.00 0.00 C ATOM 1337 CD PRO A 100 5.195 9.612 -6.163 1.00 0.00 C ATOM 0 HA PRO A 100 4.070 11.982 -4.183 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.657 9.602 -4.065 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.446 10.787 -5.339 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.773 8.148 -5.464 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.181 9.143 -6.780 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.912 8.815 -5.969 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.309 9.896 -7.209 1.00 0.00 H new ATOM 1345 N VAL A 101 4.812 9.164 -2.745 1.00 0.00 N ATOM 1346 CA VAL A 101 5.207 8.586 -1.471 1.00 0.00 C ATOM 1347 C VAL A 101 6.649 8.990 -1.158 1.00 0.00 C ATOM 1348 O VAL A 101 7.480 9.088 -2.059 1.00 0.00 O ATOM 1349 CB VAL A 101 5.003 7.070 -1.498 1.00 0.00 C ATOM 1350 CG1 VAL A 101 5.029 6.488 -0.084 1.00 0.00 C ATOM 1351 CG2 VAL A 101 3.703 6.704 -2.218 1.00 0.00 C ATOM 0 H VAL A 101 4.571 8.484 -3.466 1.00 0.00 H new ATOM 0 HA VAL A 101 4.580 8.970 -0.667 1.00 0.00 H new ATOM 0 HB VAL A 101 5.830 6.631 -2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.882 5.409 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.992 6.703 0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.232 6.937 0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.582 5.621 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.859 7.161 -1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.740 7.070 -3.244 1.00 0.00 H new ATOM 1361 N HIS A 102 6.902 9.213 0.124 1.00 0.00 N ATOM 1362 CA HIS A 102 8.229 9.603 0.567 1.00 0.00 C ATOM 1363 C HIS A 102 8.823 8.500 1.445 1.00 0.00 C ATOM 1364 O HIS A 102 9.974 8.107 1.261 1.00 0.00 O ATOM 1365 CB HIS A 102 8.189 10.962 1.270 1.00 0.00 C ATOM 1366 CG HIS A 102 7.942 12.127 0.341 1.00 0.00 C ATOM 1367 ND1 HIS A 102 7.499 12.160 -0.949 1.00 0.00 N flip ATOM 1368 CD2 HIS A 102 8.157 13.442 0.714 1.00 0.00 C flip ATOM 1369 CE1 HIS A 102 7.443 13.426 -1.341 1.00 0.00 C flip ATOM 1370 NE2 HIS A 102 7.852 14.223 -0.312 1.00 0.00 N flip ATOM 0 H HIS A 102 6.210 9.131 0.869 1.00 0.00 H new ATOM 0 HA HIS A 102 8.883 9.724 -0.297 1.00 0.00 H new ATOM 0 HB2 HIS A 102 7.407 10.944 2.029 1.00 0.00 H new ATOM 0 HB3 HIS A 102 9.134 11.119 1.789 1.00 0.00 H new ATOM 0 HD2 HIS A 102 8.513 13.775 1.678 1.00 0.00 H new ATOM 0 HE1 HIS A 102 7.126 13.769 -2.315 1.00 0.00 H new ATOM 0 HE2 HIS A 102 7.912 15.241 -0.329 1.00 0.00 H new ATOM 1378 N ALA A 103 8.010 8.030 2.380 1.00 0.00 N ATOM 1379 CA ALA A 103 8.440 6.980 3.287 1.00 0.00 C ATOM 1380 C ALA A 103 7.238 6.110 3.660 1.00 0.00 C ATOM 1381 O ALA A 103 6.303 6.581 4.306 1.00 0.00 O ATOM 1382 CB ALA A 103 9.110 7.605 4.513 1.00 0.00 C ATOM 0 H ALA A 103 7.056 8.357 2.529 1.00 0.00 H new ATOM 0 HA ALA A 103 9.177 6.336 2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.432 6.816 5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.975 8.188 4.197 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.400 8.256 5.023 1.00 0.00 H new ATOM 1388 N LEU A 104 7.301 4.856 3.236 1.00 0.00 N ATOM 1389 CA LEU A 104 6.229 3.916 3.517 1.00 0.00 C ATOM 1390 C LEU A 104 6.821 2.636 4.108 1.00 0.00 C ATOM 1391 O LEU A 104 7.722 2.036 3.523 1.00 0.00 O ATOM 1392 CB LEU A 104 5.380 3.681 2.266 1.00 0.00 C ATOM 1393 CG LEU A 104 5.549 2.320 1.588 1.00 0.00 C ATOM 1394 CD1 LEU A 104 4.769 1.236 2.334 1.00 0.00 C ATOM 1395 CD2 LEU A 104 5.159 2.392 0.110 1.00 0.00 C ATOM 0 H LEU A 104 8.078 4.469 2.700 1.00 0.00 H new ATOM 0 HA LEU A 104 5.548 4.327 4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.331 3.803 2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.616 4.459 1.539 1.00 0.00 H new ATOM 0 HG LEU A 104 6.603 2.045 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.906 0.278 1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.135 1.164 3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.710 1.492 2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.288 1.412 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.117 2.699 0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.794 3.117 -0.399 1.00 0.00 H new ATOM 1407 N ALA A 105 6.292 2.254 5.261 1.00 0.00 N ATOM 1408 CA ALA A 105 6.757 1.055 5.938 1.00 0.00 C ATOM 1409 C ALA A 105 6.172 -0.177 5.244 1.00 0.00 C ATOM 1410 O ALA A 105 4.989 -0.476 5.397 1.00 0.00 O ATOM 1411 CB ALA A 105 6.379 1.125 7.419 1.00 0.00 C ATOM 0 H ALA A 105 5.545 2.754 5.744 1.00 0.00 H new ATOM 0 HA ALA A 105 7.843 0.980 5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.728 0.226 7.926 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.844 2.001 7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.296 1.199 7.515 1.00 0.00 H new ATOM 1417 N ILE A 106 7.028 -0.858 4.496 1.00 0.00 N ATOM 1418 CA ILE A 106 6.610 -2.050 3.779 1.00 0.00 C ATOM 1419 C ILE A 106 6.767 -3.270 4.690 1.00 0.00 C ATOM 1420 O ILE A 106 7.790 -3.426 5.353 1.00 0.00 O ATOM 1421 CB ILE A 106 7.367 -2.171 2.454 1.00 0.00 C ATOM 1422 CG1 ILE A 106 7.259 -0.879 1.641 1.00 0.00 C ATOM 1423 CG2 ILE A 106 6.891 -3.389 1.660 1.00 0.00 C ATOM 1424 CD1 ILE A 106 7.739 -1.093 0.205 1.00 0.00 C ATOM 0 H ILE A 106 8.009 -0.607 4.371 1.00 0.00 H new ATOM 0 HA ILE A 106 5.555 -1.984 3.513 1.00 0.00 H new ATOM 0 HB ILE A 106 8.423 -2.324 2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 106 6.225 -0.534 1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 106 7.853 -0.097 2.114 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.445 -3.452 0.723 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.062 -4.293 2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.827 -3.291 1.446 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.652 -0.159 -0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 106 8.781 -1.414 0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 106 7.127 -1.858 -0.273 1.00 0.00 H new ATOM 1436 N GLN A 107 5.737 -4.103 4.692 1.00 0.00 N ATOM 1437 CA GLN A 107 5.747 -5.303 5.510 1.00 0.00 C ATOM 1438 C GLN A 107 5.916 -6.544 4.631 1.00 0.00 C ATOM 1439 O GLN A 107 4.943 -7.053 4.076 1.00 0.00 O ATOM 1440 CB GLN A 107 4.477 -5.400 6.357 1.00 0.00 C ATOM 1441 CG GLN A 107 4.812 -5.739 7.811 1.00 0.00 C ATOM 1442 CD GLN A 107 4.013 -4.862 8.777 1.00 0.00 C ATOM 1443 OE1 GLN A 107 3.497 -5.524 9.809 1.00 0.00 O flip ATOM 1444 NE2 GLN A 107 3.874 -3.663 8.597 1.00 0.00 N flip ATOM 0 H GLN A 107 4.890 -3.970 4.140 1.00 0.00 H new ATOM 0 HA GLN A 107 6.596 -5.247 6.192 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.935 -4.455 6.316 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.818 -6.164 5.944 1.00 0.00 H new ATOM 0 HG2 GLN A 107 4.594 -6.790 8.003 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.879 -5.598 7.984 1.00 0.00 H new ATOM 0 HE21 GLN A 107 4.297 -3.217 7.783 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.335 -3.107 9.261 1.00 0.00 H new ATOM 1453 N ALA A 108 7.157 -6.995 4.531 1.00 0.00 N ATOM 1454 CA ALA A 108 7.466 -8.167 3.729 1.00 0.00 C ATOM 1455 C ALA A 108 7.454 -9.409 4.622 1.00 0.00 C ATOM 1456 O ALA A 108 8.358 -9.603 5.433 1.00 0.00 O ATOM 1457 CB ALA A 108 8.811 -7.966 3.028 1.00 0.00 C ATOM 0 H ALA A 108 7.961 -6.570 4.992 1.00 0.00 H new ATOM 0 HA ALA A 108 6.713 -8.311 2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.043 -8.845 2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.758 -7.089 2.383 1.00 0.00 H new ATOM 0 HB3 ALA A 108 9.592 -7.821 3.774 1.00 0.00 H new ATOM 1463 N LYS A 109 6.420 -10.218 4.442 1.00 0.00 N ATOM 1464 CA LYS A 109 6.278 -11.436 5.221 1.00 0.00 C ATOM 1465 C LYS A 109 5.936 -12.597 4.286 1.00 0.00 C ATOM 1466 O LYS A 109 5.453 -12.383 3.175 1.00 0.00 O ATOM 1467 CB LYS A 109 5.264 -11.235 6.350 1.00 0.00 C ATOM 1468 CG LYS A 109 5.524 -9.924 7.094 1.00 0.00 C ATOM 1469 CD LYS A 109 5.406 -10.119 8.607 1.00 0.00 C ATOM 1470 CE LYS A 109 5.380 -8.772 9.333 1.00 0.00 C ATOM 1471 NZ LYS A 109 5.888 -8.918 10.715 1.00 0.00 N ATOM 0 H LYS A 109 5.673 -10.053 3.768 1.00 0.00 H new ATOM 0 HA LYS A 109 7.219 -11.687 5.710 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.254 -11.230 5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.321 -12.071 7.048 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.519 -9.553 6.848 1.00 0.00 H new ATOM 0 HG3 LYS A 109 4.812 -9.167 6.765 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.498 -10.677 8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.245 -10.714 8.967 1.00 0.00 H new ATOM 0 HE2 LYS A 109 5.988 -8.048 8.790 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.362 -8.382 9.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.863 -7.995 11.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.291 -9.593 11.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.867 -9.269 10.690 1.00 0.00 H new ATOM 1485 N THR A 110 6.198 -13.802 4.771 1.00 0.00 N ATOM 1486 CA THR A 110 5.924 -14.998 3.992 1.00 0.00 C ATOM 1487 C THR A 110 4.568 -15.588 4.382 1.00 0.00 C ATOM 1488 O THR A 110 4.000 -15.224 5.411 1.00 0.00 O ATOM 1489 CB THR A 110 7.089 -15.969 4.191 1.00 0.00 C ATOM 1490 OG1 THR A 110 7.531 -15.714 5.521 1.00 0.00 O ATOM 1491 CG2 THR A 110 8.299 -15.618 3.323 1.00 0.00 C ATOM 0 H THR A 110 6.597 -13.976 5.693 1.00 0.00 H new ATOM 0 HA THR A 110 5.851 -14.770 2.929 1.00 0.00 H new ATOM 0 HB THR A 110 6.759 -16.982 3.962 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.315 -16.269 5.717 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.097 -16.338 3.503 1.00 0.00 H new ATOM 0 HG22 THR A 110 8.013 -15.648 2.271 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.650 -14.617 3.575 1.00 0.00 H new ATOM 1499 N PRO A 111 4.074 -16.515 3.517 1.00 0.00 N ATOM 1500 CA PRO A 111 2.795 -17.159 3.761 1.00 0.00 C ATOM 1501 C PRO A 111 2.911 -18.207 4.870 1.00 0.00 C ATOM 1502 O PRO A 111 1.930 -18.866 5.211 1.00 0.00 O ATOM 1503 CB PRO A 111 2.393 -17.755 2.421 1.00 0.00 C ATOM 1504 CG PRO A 111 3.668 -17.825 1.597 1.00 0.00 C ATOM 1505 CD PRO A 111 4.718 -16.971 2.289 1.00 0.00 C ATOM 0 HA PRO A 111 2.035 -16.463 4.117 1.00 0.00 H new ATOM 0 HB2 PRO A 111 1.956 -18.745 2.549 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.643 -17.137 1.928 1.00 0.00 H new ATOM 0 HG2 PRO A 111 4.011 -18.856 1.511 1.00 0.00 H new ATOM 0 HG3 PRO A 111 3.488 -17.463 0.585 1.00 0.00 H new ATOM 0 HD2 PRO A 111 5.618 -17.547 2.504 1.00 0.00 H new ATOM 0 HD3 PRO A 111 5.019 -16.130 1.664 1.00 0.00 H new ATOM 1513 N ALA A 112 4.118 -18.327 5.402 1.00 0.00 N ATOM 1514 CA ALA A 112 4.375 -19.283 6.466 1.00 0.00 C ATOM 1515 C ALA A 112 4.515 -18.536 7.794 1.00 0.00 C ATOM 1516 O ALA A 112 4.365 -19.128 8.862 1.00 0.00 O ATOM 1517 CB ALA A 112 5.620 -20.104 6.125 1.00 0.00 C ATOM 0 H ALA A 112 4.929 -17.778 5.116 1.00 0.00 H new ATOM 0 HA ALA A 112 3.542 -19.979 6.566 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.813 -20.821 6.923 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.458 -20.638 5.189 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.477 -19.439 6.020 1.00 0.00 H new ATOM 1523 N GLN A 113 4.801 -17.247 7.684 1.00 0.00 N ATOM 1524 CA GLN A 113 4.963 -16.413 8.863 1.00 0.00 C ATOM 1525 C GLN A 113 3.667 -15.657 9.161 1.00 0.00 C ATOM 1526 O GLN A 113 3.268 -15.534 10.318 1.00 0.00 O ATOM 1527 CB GLN A 113 6.136 -15.445 8.693 1.00 0.00 C ATOM 1528 CG GLN A 113 7.462 -16.201 8.599 1.00 0.00 C ATOM 1529 CD GLN A 113 8.253 -16.085 9.904 1.00 0.00 C ATOM 1530 OE1 GLN A 113 7.800 -15.522 10.887 1.00 0.00 O ATOM 1531 NE2 GLN A 113 9.457 -16.648 9.858 1.00 0.00 N ATOM 0 H GLN A 113 4.925 -16.760 6.797 1.00 0.00 H new ATOM 0 HA GLN A 113 5.187 -17.058 9.712 1.00 0.00 H new ATOM 0 HB2 GLN A 113 5.990 -14.846 7.794 1.00 0.00 H new ATOM 0 HB3 GLN A 113 6.166 -14.754 9.535 1.00 0.00 H new ATOM 0 HG2 GLN A 113 7.271 -17.251 8.377 1.00 0.00 H new ATOM 0 HG3 GLN A 113 8.054 -15.804 7.774 1.00 0.00 H new ATOM 0 HE21 GLN A 113 9.775 -17.103 9.002 1.00 0.00 H new ATOM 0 HE22 GLN A 113 10.063 -16.624 10.678 1.00 0.00 H new ATOM 1540 N TRP A 114 3.045 -15.171 8.097 1.00 0.00 N ATOM 1541 CA TRP A 114 1.802 -14.431 8.230 1.00 0.00 C ATOM 1542 C TRP A 114 0.804 -15.315 8.981 1.00 0.00 C ATOM 1543 O TRP A 114 -0.053 -14.811 9.707 1.00 0.00 O ATOM 1544 CB TRP A 114 1.286 -13.976 6.864 1.00 0.00 C ATOM 1545 CG TRP A 114 -0.142 -13.427 6.888 1.00 0.00 C ATOM 1546 CD1 TRP A 114 -1.289 -14.107 6.750 1.00 0.00 C ATOM 1547 CD2 TRP A 114 -0.532 -12.049 7.069 1.00 0.00 C ATOM 1548 NE1 TRP A 114 -2.385 -13.271 6.828 1.00 0.00 N ATOM 1549 CE2 TRP A 114 -1.909 -11.980 7.029 1.00 0.00 C ATOM 1550 CE3 TRP A 114 0.255 -10.900 7.261 1.00 0.00 C ATOM 1551 CZ2 TRP A 114 -2.621 -10.783 7.172 1.00 0.00 C ATOM 1552 CZ3 TRP A 114 -0.472 -9.711 7.403 1.00 0.00 C ATOM 1553 CH2 TRP A 114 -1.859 -9.625 7.364 1.00 0.00 C ATOM 0 H TRP A 114 3.379 -15.275 7.139 1.00 0.00 H new ATOM 0 HA TRP A 114 1.957 -13.516 8.802 1.00 0.00 H new ATOM 0 HB2 TRP A 114 1.953 -13.208 6.473 1.00 0.00 H new ATOM 0 HB3 TRP A 114 1.329 -14.817 6.172 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -1.348 -15.174 6.597 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.363 -13.549 6.752 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.334 -10.931 7.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -3.700 -10.755 7.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.084 -8.797 7.553 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -2.346 -8.668 7.481 1.00 0.00 H new ATOM 1564 N ARG A 115 0.947 -16.616 8.782 1.00 0.00 N ATOM 1565 CA ARG A 115 0.069 -17.574 9.432 1.00 0.00 C ATOM 1566 C ARG A 115 0.222 -17.489 10.951 1.00 0.00 C ATOM 1567 O ARG A 115 -0.770 -17.435 11.677 1.00 0.00 O ATOM 1568 CB ARG A 115 0.376 -19.002 8.974 1.00 0.00 C ATOM 1569 CG ARG A 115 -0.237 -19.281 7.601 1.00 0.00 C ATOM 1570 CD ARG A 115 -0.430 -20.783 7.382 1.00 0.00 C ATOM 1571 NE ARG A 115 -1.866 -21.086 7.188 1.00 0.00 N ATOM 1572 CZ ARG A 115 -2.570 -20.728 6.107 1.00 0.00 C ATOM 1573 NH1 ARG A 115 -1.976 -20.051 5.114 1.00 0.00 N ATOM 1574 NH2 ARG A 115 -3.869 -21.045 6.017 1.00 0.00 N ATOM 0 H ARG A 115 1.658 -17.030 8.179 1.00 0.00 H new ATOM 0 HA ARG A 115 -0.955 -17.327 9.153 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.455 -19.150 8.931 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.015 -19.713 9.702 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -1.197 -18.771 7.517 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.408 -18.876 6.821 1.00 0.00 H new ATOM 0 HD2 ARG A 115 0.140 -21.108 6.511 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -0.046 -21.336 8.239 1.00 0.00 H new ATOM 0 HE ARG A 115 -2.350 -21.600 7.924 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -0.988 -19.809 5.182 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -2.512 -19.778 4.290 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -4.322 -21.559 6.772 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -4.405 -20.772 5.193 1.00 0.00 H new ATOM 1588 N GLU A 116 1.473 -17.481 11.389 1.00 0.00 N ATOM 1589 CA GLU A 116 1.769 -17.403 12.809 1.00 0.00 C ATOM 1590 C GLU A 116 1.159 -16.134 13.410 1.00 0.00 C ATOM 1591 O GLU A 116 0.407 -16.202 14.381 1.00 0.00 O ATOM 1592 CB GLU A 116 3.277 -17.458 13.059 1.00 0.00 C ATOM 1593 CG GLU A 116 3.844 -18.831 12.693 1.00 0.00 C ATOM 1594 CD GLU A 116 4.182 -19.637 13.949 1.00 0.00 C ATOM 1595 OE1 GLU A 116 5.279 -19.398 14.499 1.00 0.00 O ATOM 1596 OE2 GLU A 116 3.335 -20.473 14.332 1.00 0.00 O ATOM 0 H GLU A 116 2.293 -17.527 10.785 1.00 0.00 H new ATOM 0 HA GLU A 116 1.321 -18.266 13.301 1.00 0.00 H new ATOM 0 HB2 GLU A 116 3.775 -16.687 12.471 1.00 0.00 H new ATOM 0 HB3 GLU A 116 3.483 -17.243 14.107 1.00 0.00 H new ATOM 0 HG2 GLU A 116 3.120 -19.378 12.089 1.00 0.00 H new ATOM 0 HG3 GLU A 116 4.739 -18.708 12.084 1.00 0.00 H new ATOM 1603 N ASN A 117 1.507 -15.007 12.807 1.00 0.00 N ATOM 1604 CA ASN A 117 1.003 -13.725 13.270 1.00 0.00 C ATOM 1605 C ASN A 117 0.612 -12.869 12.063 1.00 0.00 C ATOM 1606 O ASN A 117 1.405 -12.057 11.591 1.00 0.00 O ATOM 1607 CB ASN A 117 2.071 -12.967 14.061 1.00 0.00 C ATOM 1608 CG ASN A 117 1.494 -11.691 14.678 1.00 0.00 C ATOM 1609 OD1 ASN A 117 0.697 -11.723 15.601 1.00 0.00 O ATOM 1610 ND2 ASN A 117 1.940 -10.570 14.119 1.00 0.00 N ATOM 0 H ASN A 117 2.132 -14.955 12.002 1.00 0.00 H new ATOM 0 HA ASN A 117 0.143 -13.913 13.913 1.00 0.00 H new ATOM 0 HB2 ASN A 117 2.469 -13.608 14.848 1.00 0.00 H new ATOM 0 HB3 ASN A 117 2.903 -12.714 13.405 1.00 0.00 H new ATOM 0 HD21 ASN A 117 1.615 -9.665 14.460 1.00 0.00 H new ATOM 0 HD22 ASN A 117 2.607 -10.615 13.349 1.00 0.00 H new ATOM 1617 N PRO A 118 -0.643 -13.087 11.587 1.00 0.00 N ATOM 1618 CA PRO A 118 -1.149 -12.345 10.444 1.00 0.00 C ATOM 1619 C PRO A 118 -1.510 -10.911 10.838 1.00 0.00 C ATOM 1620 O PRO A 118 -1.657 -10.046 9.976 1.00 0.00 O ATOM 1621 CB PRO A 118 -2.345 -13.145 9.954 1.00 0.00 C ATOM 1622 CG PRO A 118 -2.745 -14.047 11.110 1.00 0.00 C ATOM 1623 CD PRO A 118 -1.610 -14.041 12.121 1.00 0.00 C ATOM 0 HA PRO A 118 -0.408 -12.236 9.652 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -3.166 -12.486 9.671 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -2.088 -13.731 9.072 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -3.667 -13.692 11.570 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -2.935 -15.060 10.756 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -1.960 -13.739 13.108 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -1.170 -15.033 12.228 1.00 0.00 H new ATOM 1631 N GLN A 119 -1.641 -10.704 12.140 1.00 0.00 N ATOM 1632 CA GLN A 119 -1.982 -9.390 12.658 1.00 0.00 C ATOM 1633 C GLN A 119 -0.870 -8.389 12.338 1.00 0.00 C ATOM 1634 O GLN A 119 0.287 -8.605 12.697 1.00 0.00 O ATOM 1635 CB GLN A 119 -2.253 -9.447 14.162 1.00 0.00 C ATOM 1636 CG GLN A 119 -3.352 -10.462 14.483 1.00 0.00 C ATOM 1637 CD GLN A 119 -4.442 -9.832 15.353 1.00 0.00 C ATOM 1638 OE1 GLN A 119 -5.221 -9.002 14.915 1.00 0.00 O ATOM 1639 NE2 GLN A 119 -4.454 -10.273 16.608 1.00 0.00 N ATOM 0 H GLN A 119 -1.517 -11.424 12.852 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.897 -9.055 12.170 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -1.338 -9.717 14.690 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -2.548 -8.461 14.520 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -3.790 -10.834 13.557 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -2.921 -11.320 14.999 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -3.773 -10.970 16.910 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.144 -9.915 17.268 1.00 0.00 H new ATOM 1648 N LEU A 120 -1.259 -7.315 11.667 1.00 0.00 N ATOM 1649 CA LEU A 120 -0.309 -6.280 11.295 1.00 0.00 C ATOM 1650 C LEU A 120 -0.285 -5.202 12.381 1.00 0.00 C ATOM 1651 O LEU A 120 -0.970 -5.323 13.396 1.00 0.00 O ATOM 1652 CB LEU A 120 -0.624 -5.740 9.899 1.00 0.00 C ATOM 1653 CG LEU A 120 -0.364 -6.698 8.735 1.00 0.00 C ATOM 1654 CD1 LEU A 120 -1.212 -6.324 7.518 1.00 0.00 C ATOM 1655 CD2 LEU A 120 1.127 -6.759 8.398 1.00 0.00 C ATOM 0 H LEU A 120 -2.219 -7.139 11.371 1.00 0.00 H new ATOM 0 HA LEU A 120 0.698 -6.692 11.232 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.673 -5.445 9.873 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -0.035 -4.837 9.739 1.00 0.00 H new ATOM 0 HG LEU A 120 -0.666 -7.699 9.042 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.008 -7.020 6.705 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.268 -6.373 7.782 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.964 -5.312 7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.284 -7.447 7.567 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.478 -5.766 8.118 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.683 -7.108 9.268 1.00 0.00 H new