USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 410 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 70 HIS : no HD1:sc= -0.0349 X(o=-0.035,f=-0.44) USER MOD Set 1.2: A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 44 GLN :FLIP amide:sc= -0.337 X(o=-7,f=-6.8) USER MOD Set 2.2: A 46 HIS : no HD1:sc= -6.49! C(o=-6.8!,f=-6.9!) USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.00656 USER MOD Single : A 28 GLN : amide:sc= -0.0191 K(o=-0.019,f=-0.59) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -138:sc= -0.102 (180deg=-2.6!) USER MOD Single : A 32 MET CE :methyl -130:sc= -4.63! (180deg=-6.92!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 55 CYS SG : rot 125:sc= -2.51 USER MOD Single : A 58 THR OG1 : rot -167:sc= 0.644 USER MOD Single : A 63 GLN : amide:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 167:sc= -5.28! (180deg=-5.53!) USER MOD Single : A 71 ASN : amide:sc= 0.8 K(o=0.8,f=-0.4) USER MOD Single : A 72 ASN : amide:sc= 0.992 K(o=0.99,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 326 N THR A 25 3.321 -5.817 -1.628 1.00 0.00 N ATOM 327 CA THR A 25 2.591 -6.406 -0.519 1.00 0.00 C ATOM 328 C THR A 25 1.904 -5.317 0.307 1.00 0.00 C ATOM 329 O THR A 25 2.376 -4.182 0.359 1.00 0.00 O ATOM 330 CB THR A 25 3.570 -7.258 0.293 1.00 0.00 C ATOM 331 OG1 THR A 25 2.769 -7.810 1.334 1.00 0.00 O ATOM 332 CG2 THR A 25 4.609 -6.411 1.031 1.00 0.00 C ATOM 0 HA THR A 25 1.790 -7.054 -0.874 1.00 0.00 H new ATOM 0 HB THR A 25 4.077 -7.959 -0.369 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.324 -8.378 1.908 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.279 -7.063 1.591 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.186 -5.832 0.309 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.104 -5.733 1.719 1.00 0.00 H new ATOM 340 N ALA A 26 0.801 -5.700 0.932 1.00 0.00 N ATOM 341 CA ALA A 26 0.044 -4.770 1.753 1.00 0.00 C ATOM 342 C ALA A 26 1.013 -3.886 2.540 1.00 0.00 C ATOM 343 O ALA A 26 0.981 -2.662 2.419 1.00 0.00 O ATOM 344 CB ALA A 26 -0.906 -5.550 2.665 1.00 0.00 C ATOM 0 H ALA A 26 0.413 -6.642 0.887 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.566 -4.117 1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.474 -4.852 3.281 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.593 -6.139 2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.329 -6.215 3.308 1.00 0.00 H new ATOM 350 N GLU A 27 1.853 -4.540 3.329 1.00 0.00 N ATOM 351 CA GLU A 27 2.830 -3.829 4.136 1.00 0.00 C ATOM 352 C GLU A 27 3.378 -2.625 3.367 1.00 0.00 C ATOM 353 O GLU A 27 3.289 -1.491 3.836 1.00 0.00 O ATOM 354 CB GLU A 27 3.961 -4.760 4.575 1.00 0.00 C ATOM 355 CG GLU A 27 5.019 -3.999 5.377 1.00 0.00 C ATOM 356 CD GLU A 27 6.363 -4.728 5.342 1.00 0.00 C ATOM 357 OE1 GLU A 27 7.062 -4.582 4.316 1.00 0.00 O ATOM 358 OE2 GLU A 27 6.662 -5.415 6.343 1.00 0.00 O ATOM 0 H GLU A 27 1.877 -5.555 3.427 1.00 0.00 H new ATOM 0 HA GLU A 27 2.334 -3.466 5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.555 -5.571 5.180 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.422 -5.216 3.699 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.136 -2.994 4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.688 -3.889 6.410 1.00 0.00 H new ATOM 365 N GLN A 28 3.933 -2.913 2.198 1.00 0.00 N ATOM 366 CA GLN A 28 4.495 -1.868 1.360 1.00 0.00 C ATOM 367 C GLN A 28 3.469 -0.755 1.138 1.00 0.00 C ATOM 368 O GLN A 28 3.724 0.403 1.465 1.00 0.00 O ATOM 369 CB GLN A 28 4.982 -2.438 0.026 1.00 0.00 C ATOM 370 CG GLN A 28 6.490 -2.236 -0.139 1.00 0.00 C ATOM 371 CD GLN A 28 7.010 -2.972 -1.376 1.00 0.00 C ATOM 372 OE1 GLN A 28 6.420 -2.939 -2.443 1.00 0.00 O ATOM 373 NE2 GLN A 28 8.144 -3.637 -1.173 1.00 0.00 N ATOM 0 H GLN A 28 4.005 -3.854 1.812 1.00 0.00 H new ATOM 0 HA GLN A 28 5.357 -1.443 1.873 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.746 -3.501 -0.027 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.454 -1.953 -0.795 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.711 -1.172 -0.225 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.008 -2.598 0.749 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.586 -3.623 -0.254 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.572 -4.161 -1.936 1.00 0.00 H new ATOM 382 N LYS A 29 2.331 -1.145 0.584 1.00 0.00 N ATOM 383 CA LYS A 29 1.265 -0.195 0.315 1.00 0.00 C ATOM 384 C LYS A 29 1.012 0.649 1.566 1.00 0.00 C ATOM 385 O LYS A 29 0.884 1.869 1.481 1.00 0.00 O ATOM 386 CB LYS A 29 0.019 -0.919 -0.200 1.00 0.00 C ATOM 387 CG LYS A 29 0.278 -1.546 -1.572 1.00 0.00 C ATOM 388 CD LYS A 29 0.363 -3.070 -1.470 1.00 0.00 C ATOM 389 CE LYS A 29 -0.895 -3.728 -2.041 1.00 0.00 C ATOM 390 NZ LYS A 29 -0.563 -4.523 -3.245 1.00 0.00 N ATOM 0 H LYS A 29 2.124 -2.106 0.314 1.00 0.00 H new ATOM 0 HA LYS A 29 1.558 0.491 -0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.275 -1.694 0.508 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.812 -0.217 -0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.521 -1.268 -2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.207 -1.153 -1.986 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.241 -3.426 -2.009 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.489 -3.362 -0.427 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.350 -4.371 -1.288 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.630 -2.964 -2.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.428 -4.963 -3.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.149 -3.901 -3.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.121 -5.265 -2.993 1.00 0.00 H new ATOM 404 N GLU A 30 0.948 -0.035 2.700 1.00 0.00 N ATOM 405 CA GLU A 30 0.714 0.637 3.966 1.00 0.00 C ATOM 406 C GLU A 30 1.774 1.715 4.200 1.00 0.00 C ATOM 407 O GLU A 30 1.448 2.895 4.323 1.00 0.00 O ATOM 408 CB GLU A 30 0.687 -0.366 5.122 1.00 0.00 C ATOM 409 CG GLU A 30 -0.472 -1.352 4.965 1.00 0.00 C ATOM 410 CD GLU A 30 -0.668 -2.175 6.240 1.00 0.00 C ATOM 411 OE1 GLU A 30 -1.442 -1.708 7.103 1.00 0.00 O ATOM 412 OE2 GLU A 30 -0.040 -3.252 6.322 1.00 0.00 O ATOM 0 H GLU A 30 1.054 -1.047 2.767 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.262 1.120 3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.630 -0.911 5.158 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.591 0.167 6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.388 -0.808 4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.276 -2.018 4.124 1.00 0.00 H new ATOM 419 N LYS A 31 3.021 1.271 4.255 1.00 0.00 N ATOM 420 CA LYS A 31 4.131 2.183 4.472 1.00 0.00 C ATOM 421 C LYS A 31 3.957 3.413 3.578 1.00 0.00 C ATOM 422 O LYS A 31 4.010 4.545 4.057 1.00 0.00 O ATOM 423 CB LYS A 31 5.465 1.461 4.272 1.00 0.00 C ATOM 424 CG LYS A 31 5.957 0.844 5.583 1.00 0.00 C ATOM 425 CD LYS A 31 5.534 -0.622 5.691 1.00 0.00 C ATOM 426 CE LYS A 31 5.975 -1.222 7.028 1.00 0.00 C ATOM 427 NZ LYS A 31 7.198 -2.036 6.852 1.00 0.00 N ATOM 0 H LYS A 31 3.287 0.292 4.153 1.00 0.00 H new ATOM 0 HA LYS A 31 4.138 2.536 5.503 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.351 0.681 3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.209 2.162 3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.043 0.918 5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.555 1.405 6.427 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.451 -0.700 5.593 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.971 -1.192 4.871 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.162 -0.425 7.747 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.176 -1.840 7.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.115 -2.912 7.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.316 -2.273 5.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.024 -1.496 7.179 1.00 0.00 H new ATOM 441 N MET A 32 3.754 3.149 2.296 1.00 0.00 N ATOM 442 CA MET A 32 3.572 4.220 1.331 1.00 0.00 C ATOM 443 C MET A 32 2.379 5.101 1.708 1.00 0.00 C ATOM 444 O MET A 32 2.496 6.325 1.749 1.00 0.00 O ATOM 445 CB MET A 32 3.345 3.622 -0.059 1.00 0.00 C ATOM 446 CG MET A 32 4.610 2.928 -0.570 1.00 0.00 C ATOM 447 SD MET A 32 4.189 1.356 -1.302 1.00 0.00 S ATOM 448 CE MET A 32 4.666 1.665 -2.995 1.00 0.00 C ATOM 0 H MET A 32 3.711 2.209 1.903 1.00 0.00 H new ATOM 0 HA MET A 32 4.470 4.838 1.329 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.523 2.907 -0.021 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.051 4.409 -0.754 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.109 3.559 -1.305 1.00 0.00 H new ATOM 0 HG3 MET A 32 5.311 2.780 0.252 1.00 0.00 H new ATOM 0 HE1 MET A 32 3.850 1.383 -3.660 1.00 0.00 H new ATOM 0 HE2 MET A 32 4.889 2.724 -3.123 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.551 1.076 -3.237 1.00 0.00 H new ATOM 458 N LEU A 33 1.260 4.445 1.975 1.00 0.00 N ATOM 459 CA LEU A 33 0.047 5.153 2.348 1.00 0.00 C ATOM 460 C LEU A 33 0.395 6.261 3.344 1.00 0.00 C ATOM 461 O LEU A 33 -0.087 7.386 3.219 1.00 0.00 O ATOM 462 CB LEU A 33 -1.009 4.173 2.862 1.00 0.00 C ATOM 463 CG LEU A 33 -2.114 3.798 1.873 1.00 0.00 C ATOM 464 CD1 LEU A 33 -3.191 4.883 1.816 1.00 0.00 C ATOM 465 CD2 LEU A 33 -1.533 3.495 0.490 1.00 0.00 C ATOM 0 H LEU A 33 1.167 3.430 1.941 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.397 5.635 1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.505 3.259 3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.474 4.603 3.749 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.594 2.886 2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.964 4.591 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.634 5.008 2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.743 5.824 1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.340 3.231 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.012 4.375 0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.833 2.663 0.564 1.00 0.00 H new ATOM 477 N ALA A 34 1.229 5.905 4.310 1.00 0.00 N ATOM 478 CA ALA A 34 1.646 6.855 5.326 1.00 0.00 C ATOM 479 C ALA A 34 2.800 7.702 4.784 1.00 0.00 C ATOM 480 O ALA A 34 2.705 8.927 4.734 1.00 0.00 O ATOM 481 CB ALA A 34 2.026 6.103 6.603 1.00 0.00 C ATOM 0 H ALA A 34 1.627 4.971 4.410 1.00 0.00 H new ATOM 0 HA ALA A 34 0.829 7.532 5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.339 6.816 7.366 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.165 5.540 6.964 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.845 5.416 6.391 1.00 0.00 H new ATOM 487 N PHE A 35 3.862 7.015 4.391 1.00 0.00 N ATOM 488 CA PHE A 35 5.032 7.688 3.854 1.00 0.00 C ATOM 489 C PHE A 35 4.628 8.884 2.990 1.00 0.00 C ATOM 490 O PHE A 35 5.160 9.981 3.154 1.00 0.00 O ATOM 491 CB PHE A 35 5.773 6.672 2.983 1.00 0.00 C ATOM 492 CG PHE A 35 7.210 7.073 2.643 1.00 0.00 C ATOM 493 CD1 PHE A 35 8.102 7.317 3.641 1.00 0.00 C ATOM 494 CD2 PHE A 35 7.596 7.186 1.344 1.00 0.00 C ATOM 495 CE1 PHE A 35 9.435 7.690 3.326 1.00 0.00 C ATOM 496 CE2 PHE A 35 8.929 7.558 1.029 1.00 0.00 C ATOM 497 CZ PHE A 35 9.821 7.803 2.026 1.00 0.00 C ATOM 0 H PHE A 35 3.937 5.999 4.434 1.00 0.00 H new ATOM 0 HA PHE A 35 5.655 8.056 4.669 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.787 5.711 3.497 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.217 6.530 2.056 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.796 7.227 4.673 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.888 6.993 0.552 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.143 7.884 4.118 1.00 0.00 H new ATOM 0 HE2 PHE A 35 9.235 7.647 -0.003 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.835 8.087 1.786 1.00 0.00 H new ATOM 507 N ALA A 36 3.691 8.632 2.087 1.00 0.00 N ATOM 508 CA ALA A 36 3.210 9.674 1.197 1.00 0.00 C ATOM 509 C ALA A 36 2.520 10.764 2.020 1.00 0.00 C ATOM 510 O ALA A 36 2.889 11.934 1.940 1.00 0.00 O ATOM 511 CB ALA A 36 2.281 9.060 0.147 1.00 0.00 C ATOM 0 H ALA A 36 3.252 7.721 1.953 1.00 0.00 H new ATOM 0 HA ALA A 36 4.041 10.139 0.666 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.920 9.842 -0.521 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.827 8.313 -0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.434 8.587 0.643 1.00 0.00 H new ATOM 517 N GLU A 37 1.530 10.340 2.792 1.00 0.00 N ATOM 518 CA GLU A 37 0.785 11.265 3.629 1.00 0.00 C ATOM 519 C GLU A 37 1.744 12.173 4.400 1.00 0.00 C ATOM 520 O GLU A 37 1.389 13.294 4.760 1.00 0.00 O ATOM 521 CB GLU A 37 -0.145 10.513 4.583 1.00 0.00 C ATOM 522 CG GLU A 37 -1.573 10.466 4.034 1.00 0.00 C ATOM 523 CD GLU A 37 -2.195 11.863 4.003 1.00 0.00 C ATOM 524 OE1 GLU A 37 -2.646 12.307 5.081 1.00 0.00 O ATOM 525 OE2 GLU A 37 -2.206 12.456 2.902 1.00 0.00 O ATOM 0 H GLU A 37 1.227 9.368 2.855 1.00 0.00 H new ATOM 0 HA GLU A 37 0.164 11.888 2.985 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.225 9.498 4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.142 11.000 5.558 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.566 10.045 3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.182 9.806 4.652 1.00 0.00 H new ATOM 532 N ARG A 38 2.942 11.656 4.631 1.00 0.00 N ATOM 533 CA ARG A 38 3.955 12.406 5.353 1.00 0.00 C ATOM 534 C ARG A 38 4.673 13.373 4.409 1.00 0.00 C ATOM 535 O ARG A 38 4.830 14.551 4.723 1.00 0.00 O ATOM 536 CB ARG A 38 4.983 11.470 5.992 1.00 0.00 C ATOM 537 CG ARG A 38 4.328 10.165 6.447 1.00 0.00 C ATOM 538 CD ARG A 38 4.769 9.795 7.865 1.00 0.00 C ATOM 539 NE ARG A 38 4.620 10.963 8.761 1.00 0.00 N ATOM 540 CZ ARG A 38 3.462 11.337 9.322 1.00 0.00 C ATOM 541 NH1 ARG A 38 2.344 10.638 9.081 1.00 0.00 N ATOM 542 NH2 ARG A 38 3.421 12.411 10.123 1.00 0.00 N ATOM 0 H ARG A 38 3.234 10.726 4.330 1.00 0.00 H new ATOM 0 HA ARG A 38 3.453 12.967 6.141 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.776 11.253 5.277 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.449 11.964 6.845 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.243 10.268 6.415 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.592 9.362 5.759 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.170 8.963 8.236 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.807 9.462 7.857 1.00 0.00 H new ATOM 0 HE ARG A 38 5.451 11.518 8.964 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.375 9.821 8.471 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.463 10.923 9.508 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.271 12.944 10.306 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.539 12.695 10.550 1.00 0.00 H new ATOM 556 N LEU A 39 5.089 12.838 3.270 1.00 0.00 N ATOM 557 CA LEU A 39 5.787 13.639 2.278 1.00 0.00 C ATOM 558 C LEU A 39 4.779 14.525 1.544 1.00 0.00 C ATOM 559 O LEU A 39 5.158 15.335 0.699 1.00 0.00 O ATOM 560 CB LEU A 39 6.609 12.743 1.349 1.00 0.00 C ATOM 561 CG LEU A 39 7.269 11.527 2.001 1.00 0.00 C ATOM 562 CD1 LEU A 39 6.975 10.252 1.208 1.00 0.00 C ATOM 563 CD2 LEU A 39 8.771 11.752 2.187 1.00 0.00 C ATOM 0 H LEU A 39 4.956 11.860 3.012 1.00 0.00 H new ATOM 0 HA LEU A 39 6.504 14.303 2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.960 12.392 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.388 13.350 0.887 1.00 0.00 H new ATOM 0 HG LEU A 39 6.837 11.396 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.456 9.403 1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.898 10.087 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.361 10.357 0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.216 10.872 2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.236 11.923 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.932 12.621 2.825 1.00 0.00 H new ATOM 575 N GLY A 40 3.514 14.342 1.894 1.00 0.00 N ATOM 576 CA GLY A 40 2.448 15.116 1.278 1.00 0.00 C ATOM 577 C GLY A 40 2.181 14.640 -0.151 1.00 0.00 C ATOM 578 O GLY A 40 1.676 15.399 -0.977 1.00 0.00 O ATOM 0 H GLY A 40 3.203 13.670 2.595 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.538 15.025 1.871 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.719 16.172 1.269 1.00 0.00 H new ATOM 582 N TRP A 41 2.531 13.387 -0.399 1.00 0.00 N ATOM 583 CA TRP A 41 2.335 12.801 -1.714 1.00 0.00 C ATOM 584 C TRP A 41 3.260 13.522 -2.696 1.00 0.00 C ATOM 585 O TRP A 41 2.961 13.612 -3.885 1.00 0.00 O ATOM 586 CB TRP A 41 0.863 12.860 -2.127 1.00 0.00 C ATOM 587 CG TRP A 41 -0.061 11.998 -1.264 1.00 0.00 C ATOM 588 CD1 TRP A 41 -0.843 12.387 -0.249 1.00 0.00 C ATOM 589 CD2 TRP A 41 -0.267 10.574 -1.384 1.00 0.00 C ATOM 590 NE1 TRP A 41 -1.536 11.324 0.293 1.00 0.00 N ATOM 591 CE2 TRP A 41 -1.175 10.186 -0.419 1.00 0.00 C ATOM 592 CE3 TRP A 41 0.294 9.645 -2.277 1.00 0.00 C ATOM 593 CZ2 TRP A 41 -1.601 8.863 -0.256 1.00 0.00 C ATOM 594 CZ3 TRP A 41 -0.142 8.327 -2.101 1.00 0.00 C ATOM 595 CH2 TRP A 41 -1.055 7.920 -1.135 1.00 0.00 C ATOM 0 H TRP A 41 2.949 12.761 0.289 1.00 0.00 H new ATOM 0 HA TRP A 41 2.593 11.742 -1.706 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.525 13.895 -2.081 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.775 12.541 -3.166 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.921 13.405 0.102 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.192 11.366 1.073 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.006 9.926 -3.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.313 8.584 0.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 0.259 7.573 -2.762 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.342 6.881 -1.063 1.00 0.00 H new ATOM 606 N ARG A 42 4.367 14.018 -2.161 1.00 0.00 N ATOM 607 CA ARG A 42 5.338 14.729 -2.975 1.00 0.00 C ATOM 608 C ARG A 42 6.755 14.467 -2.461 1.00 0.00 C ATOM 609 O ARG A 42 7.005 14.535 -1.258 1.00 0.00 O ATOM 610 CB ARG A 42 5.069 16.235 -2.964 1.00 0.00 C ATOM 611 CG ARG A 42 5.062 16.780 -1.535 1.00 0.00 C ATOM 612 CD ARG A 42 4.992 18.309 -1.531 1.00 0.00 C ATOM 613 NE ARG A 42 4.071 18.771 -0.468 1.00 0.00 N ATOM 614 CZ ARG A 42 3.844 20.059 -0.180 1.00 0.00 C ATOM 615 NH1 ARG A 42 4.468 21.021 -0.872 1.00 0.00 N ATOM 616 NH2 ARG A 42 2.992 20.386 0.802 1.00 0.00 N ATOM 0 H ARG A 42 4.612 13.941 -1.174 1.00 0.00 H new ATOM 0 HA ARG A 42 5.245 14.363 -3.997 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.832 16.749 -3.549 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.110 16.440 -3.440 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.210 16.372 -0.991 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.961 16.452 -1.013 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.986 18.726 -1.369 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.650 18.668 -2.502 1.00 0.00 H new ATOM 0 HE ARG A 42 3.579 18.065 0.079 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.117 20.773 -1.619 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.295 22.002 -0.652 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.517 19.654 1.330 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.819 21.367 1.021 1.00 0.00 H new ATOM 630 N ILE A 43 7.645 14.173 -3.397 1.00 0.00 N ATOM 631 CA ILE A 43 9.030 13.900 -3.054 1.00 0.00 C ATOM 632 C ILE A 43 9.897 15.092 -3.464 1.00 0.00 C ATOM 633 O ILE A 43 10.057 15.368 -4.652 1.00 0.00 O ATOM 634 CB ILE A 43 9.482 12.572 -3.664 1.00 0.00 C ATOM 635 CG1 ILE A 43 8.670 11.405 -3.100 1.00 0.00 C ATOM 636 CG2 ILE A 43 10.987 12.366 -3.476 1.00 0.00 C ATOM 637 CD1 ILE A 43 8.585 10.258 -4.109 1.00 0.00 C ATOM 0 H ILE A 43 7.434 14.118 -4.393 1.00 0.00 H new ATOM 0 HA ILE A 43 9.139 13.782 -1.976 1.00 0.00 H new ATOM 0 HB ILE A 43 9.293 12.607 -4.737 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.130 11.050 -2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.666 11.745 -2.845 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.282 11.415 -3.919 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.529 13.177 -3.963 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.223 12.360 -2.412 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.002 9.441 -3.683 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.103 10.611 -5.021 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.589 9.904 -4.343 1.00 0.00 H new ATOM 649 N GLN A 44 10.434 15.767 -2.458 1.00 0.00 N ATOM 650 CA GLN A 44 11.280 16.923 -2.700 1.00 0.00 C ATOM 651 C GLN A 44 12.735 16.487 -2.885 1.00 0.00 C ATOM 652 O GLN A 44 13.029 15.293 -2.919 1.00 0.00 O ATOM 653 CB GLN A 44 11.154 17.942 -1.565 1.00 0.00 C ATOM 654 CG GLN A 44 9.846 18.727 -1.676 1.00 0.00 C ATOM 655 CD GLN A 44 10.117 20.225 -1.832 1.00 0.00 C ATOM 656 OE1 GLN A 44 9.645 20.967 -0.835 1.00 0.00 O flip ATOM 657 NE2 GLN A 44 10.715 20.676 -2.795 1.00 0.00 N flip ATOM 0 H GLN A 44 10.300 15.535 -1.474 1.00 0.00 H new ATOM 0 HA GLN A 44 10.946 17.407 -3.618 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.194 17.428 -0.604 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.999 18.630 -1.594 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.273 18.367 -2.530 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.238 18.554 -0.788 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.051 20.049 -3.526 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.879 21.680 -2.869 1.00 0.00 H new ATOM 666 N LYS A 45 13.607 17.478 -3.001 1.00 0.00 N ATOM 667 CA LYS A 45 15.023 17.211 -3.183 1.00 0.00 C ATOM 668 C LYS A 45 15.597 16.623 -1.892 1.00 0.00 C ATOM 669 O LYS A 45 16.546 15.842 -1.929 1.00 0.00 O ATOM 670 CB LYS A 45 15.749 18.470 -3.660 1.00 0.00 C ATOM 671 CG LYS A 45 17.248 18.210 -3.826 1.00 0.00 C ATOM 672 CD LYS A 45 18.043 19.514 -3.742 1.00 0.00 C ATOM 673 CE LYS A 45 18.772 19.627 -2.402 1.00 0.00 C ATOM 674 NZ LYS A 45 19.506 20.910 -2.317 1.00 0.00 N ATOM 0 H LYS A 45 13.360 18.467 -2.972 1.00 0.00 H new ATOM 0 HA LYS A 45 15.172 16.468 -3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 45 15.326 18.800 -4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.593 19.277 -2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.589 17.521 -3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.433 17.728 -4.786 1.00 0.00 H new ATOM 0 HD2 LYS A 45 18.765 19.557 -4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 45 17.370 20.363 -3.867 1.00 0.00 H new ATOM 0 HE2 LYS A 45 18.055 19.557 -1.584 1.00 0.00 H new ATOM 0 HE3 LYS A 45 19.467 18.795 -2.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 19.995 20.970 -1.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 20.204 20.962 -3.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 18.835 21.700 -2.404 1.00 0.00 H new ATOM 688 N HIS A 46 14.995 17.020 -0.780 1.00 0.00 N ATOM 689 CA HIS A 46 15.434 16.542 0.520 1.00 0.00 C ATOM 690 C HIS A 46 14.840 15.157 0.785 1.00 0.00 C ATOM 691 O HIS A 46 15.506 14.289 1.346 1.00 0.00 O ATOM 692 CB HIS A 46 15.091 17.554 1.615 1.00 0.00 C ATOM 693 CG HIS A 46 13.654 18.018 1.595 1.00 0.00 C ATOM 694 ND1 HIS A 46 13.180 18.949 0.688 1.00 0.00 N ATOM 695 CD2 HIS A 46 12.594 17.669 2.378 1.00 0.00 C ATOM 696 CE1 HIS A 46 11.891 19.145 0.924 1.00 0.00 C ATOM 697 NE2 HIS A 46 11.530 18.351 1.973 1.00 0.00 N ATOM 0 H HIS A 46 14.207 17.667 -0.753 1.00 0.00 H new ATOM 0 HA HIS A 46 16.519 16.441 0.527 1.00 0.00 H new ATOM 0 HB2 HIS A 46 15.305 17.109 2.587 1.00 0.00 H new ATOM 0 HB3 HIS A 46 15.743 18.421 1.511 1.00 0.00 H new ATOM 0 HD2 HIS A 46 12.616 16.958 3.190 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.241 19.815 0.382 1.00 0.00 H new ATOM 0 HE2 HIS A 46 10.596 18.291 2.379 1.00 0.00 H new ATOM 705 N ASP A 47 13.592 14.995 0.370 1.00 0.00 N ATOM 706 CA ASP A 47 12.900 13.731 0.555 1.00 0.00 C ATOM 707 C ASP A 47 13.646 12.630 -0.202 1.00 0.00 C ATOM 708 O ASP A 47 13.543 11.454 0.144 1.00 0.00 O ATOM 709 CB ASP A 47 11.473 13.798 0.007 1.00 0.00 C ATOM 710 CG ASP A 47 10.543 14.764 0.743 1.00 0.00 C ATOM 711 OD1 ASP A 47 11.004 15.890 1.029 1.00 0.00 O ATOM 712 OD2 ASP A 47 9.391 14.354 1.005 1.00 0.00 O ATOM 0 H ASP A 47 13.042 15.718 -0.094 1.00 0.00 H new ATOM 0 HA ASP A 47 12.866 13.519 1.624 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.516 14.088 -1.043 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.038 12.799 0.044 1.00 0.00 H new ATOM 717 N ASP A 48 14.381 13.051 -1.221 1.00 0.00 N ATOM 718 CA ASP A 48 15.144 12.116 -2.029 1.00 0.00 C ATOM 719 C ASP A 48 15.819 11.090 -1.116 1.00 0.00 C ATOM 720 O ASP A 48 16.057 9.954 -1.522 1.00 0.00 O ATOM 721 CB ASP A 48 16.238 12.836 -2.820 1.00 0.00 C ATOM 722 CG ASP A 48 16.830 12.036 -3.982 1.00 0.00 C ATOM 723 OD1 ASP A 48 16.215 12.075 -5.070 1.00 0.00 O ATOM 724 OD2 ASP A 48 17.883 11.403 -3.757 1.00 0.00 O ATOM 0 H ASP A 48 14.464 14.027 -1.505 1.00 0.00 H new ATOM 0 HA ASP A 48 14.456 11.632 -2.722 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.829 13.767 -3.211 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.043 13.104 -2.136 1.00 0.00 H new ATOM 729 N VAL A 49 16.108 11.529 0.100 1.00 0.00 N ATOM 730 CA VAL A 49 16.750 10.663 1.075 1.00 0.00 C ATOM 731 C VAL A 49 15.700 9.750 1.710 1.00 0.00 C ATOM 732 O VAL A 49 15.771 8.529 1.574 1.00 0.00 O ATOM 733 CB VAL A 49 17.510 11.505 2.102 1.00 0.00 C ATOM 734 CG1 VAL A 49 18.232 10.614 3.115 1.00 0.00 C ATOM 735 CG2 VAL A 49 18.490 12.458 1.413 1.00 0.00 C ATOM 0 H VAL A 49 15.910 12.473 0.433 1.00 0.00 H new ATOM 0 HA VAL A 49 17.487 10.022 0.590 1.00 0.00 H new ATOM 0 HB VAL A 49 16.782 12.108 2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 49 18.764 11.237 3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 49 17.504 9.996 3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 49 18.943 9.973 2.594 1.00 0.00 H new ATOM 0 HG21 VAL A 49 19.017 13.045 2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 49 19.210 11.882 0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 49 17.942 13.127 0.750 1.00 0.00 H new ATOM 745 N ALA A 50 14.751 10.376 2.389 1.00 0.00 N ATOM 746 CA ALA A 50 13.687 9.634 3.046 1.00 0.00 C ATOM 747 C ALA A 50 13.188 8.531 2.111 1.00 0.00 C ATOM 748 O ALA A 50 12.799 7.456 2.565 1.00 0.00 O ATOM 749 CB ALA A 50 12.573 10.598 3.458 1.00 0.00 C ATOM 0 H ALA A 50 14.696 11.389 2.499 1.00 0.00 H new ATOM 0 HA ALA A 50 14.056 9.155 3.953 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.775 10.043 3.951 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.973 11.344 4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.176 11.095 2.573 1.00 0.00 H new ATOM 755 N VAL A 51 13.216 8.835 0.821 1.00 0.00 N ATOM 756 CA VAL A 51 12.771 7.882 -0.182 1.00 0.00 C ATOM 757 C VAL A 51 13.735 6.695 -0.214 1.00 0.00 C ATOM 758 O VAL A 51 13.306 5.542 -0.194 1.00 0.00 O ATOM 759 CB VAL A 51 12.633 8.577 -1.538 1.00 0.00 C ATOM 760 CG1 VAL A 51 12.559 7.554 -2.673 1.00 0.00 C ATOM 761 CG2 VAL A 51 11.417 9.506 -1.557 1.00 0.00 C ATOM 0 H VAL A 51 13.540 9.727 0.448 1.00 0.00 H new ATOM 0 HA VAL A 51 11.785 7.493 0.071 1.00 0.00 H new ATOM 0 HB VAL A 51 13.523 9.187 -1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.461 8.074 -3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.468 6.952 -2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.695 6.906 -2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.342 9.987 -2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.513 8.926 -1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.528 10.267 -0.784 1.00 0.00 H new ATOM 771 N GLU A 52 15.019 7.017 -0.262 1.00 0.00 N ATOM 772 CA GLU A 52 16.047 5.991 -0.297 1.00 0.00 C ATOM 773 C GLU A 52 16.022 5.171 0.995 1.00 0.00 C ATOM 774 O GLU A 52 16.120 3.945 0.958 1.00 0.00 O ATOM 775 CB GLU A 52 17.428 6.606 -0.529 1.00 0.00 C ATOM 776 CG GLU A 52 18.192 6.752 0.789 1.00 0.00 C ATOM 777 CD GLU A 52 19.540 7.443 0.568 1.00 0.00 C ATOM 778 OE1 GLU A 52 20.319 6.917 -0.257 1.00 0.00 O ATOM 779 OE2 GLU A 52 19.760 8.481 1.228 1.00 0.00 O ATOM 0 H GLU A 52 15.371 7.974 -0.277 1.00 0.00 H new ATOM 0 HA GLU A 52 15.838 5.323 -1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.998 5.981 -1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 52 17.320 7.583 -1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.596 7.328 1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 52 18.352 5.769 1.232 1.00 0.00 H new ATOM 786 N GLN A 53 15.891 5.880 2.106 1.00 0.00 N ATOM 787 CA GLN A 53 15.853 5.233 3.407 1.00 0.00 C ATOM 788 C GLN A 53 14.594 4.373 3.534 1.00 0.00 C ATOM 789 O GLN A 53 14.600 3.358 4.229 1.00 0.00 O ATOM 790 CB GLN A 53 15.929 6.264 4.534 1.00 0.00 C ATOM 791 CG GLN A 53 17.360 6.402 5.057 1.00 0.00 C ATOM 792 CD GLN A 53 17.390 6.378 6.586 1.00 0.00 C ATOM 793 OE1 GLN A 53 17.024 5.406 7.225 1.00 0.00 O ATOM 794 NE2 GLN A 53 17.847 7.500 7.135 1.00 0.00 N ATOM 0 H GLN A 53 15.810 6.896 2.133 1.00 0.00 H new ATOM 0 HA GLN A 53 16.724 4.583 3.495 1.00 0.00 H new ATOM 0 HB2 GLN A 53 15.576 7.230 4.172 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.268 5.967 5.348 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.974 5.591 4.665 1.00 0.00 H new ATOM 0 HG3 GLN A 53 17.795 7.334 4.696 1.00 0.00 H new ATOM 0 HE21 GLN A 53 18.137 8.277 6.541 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.907 7.584 8.150 1.00 0.00 H new ATOM 803 N PHE A 54 13.546 4.809 2.852 1.00 0.00 N ATOM 804 CA PHE A 54 12.283 4.092 2.881 1.00 0.00 C ATOM 805 C PHE A 54 12.344 2.839 2.004 1.00 0.00 C ATOM 806 O PHE A 54 11.758 1.811 2.342 1.00 0.00 O ATOM 807 CB PHE A 54 11.218 5.038 2.323 1.00 0.00 C ATOM 808 CG PHE A 54 9.820 4.422 2.239 1.00 0.00 C ATOM 809 CD1 PHE A 54 8.980 4.492 3.307 1.00 0.00 C ATOM 810 CD2 PHE A 54 9.417 3.804 1.096 1.00 0.00 C ATOM 811 CE1 PHE A 54 7.683 3.920 3.229 1.00 0.00 C ATOM 812 CE2 PHE A 54 8.119 3.232 1.018 1.00 0.00 C ATOM 813 CZ PHE A 54 7.280 3.302 2.086 1.00 0.00 C ATOM 0 H PHE A 54 13.545 5.650 2.276 1.00 0.00 H new ATOM 0 HA PHE A 54 12.056 3.780 3.900 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.174 5.929 2.949 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.521 5.363 1.328 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.300 4.983 4.214 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.084 3.748 0.248 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.016 3.975 4.077 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.799 2.742 0.111 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.293 2.867 2.027 1.00 0.00 H new ATOM 823 N CYS A 55 13.058 2.966 0.895 1.00 0.00 N ATOM 824 CA CYS A 55 13.203 1.857 -0.032 1.00 0.00 C ATOM 825 C CYS A 55 14.038 0.769 0.647 1.00 0.00 C ATOM 826 O CYS A 55 13.734 -0.416 0.529 1.00 0.00 O ATOM 827 CB CYS A 55 13.820 2.306 -1.358 1.00 0.00 C ATOM 828 SG CYS A 55 14.104 0.857 -2.439 1.00 0.00 S ATOM 0 H CYS A 55 13.542 3.820 0.618 1.00 0.00 H new ATOM 0 HA CYS A 55 12.220 1.457 -0.281 1.00 0.00 H new ATOM 0 HB2 CYS A 55 13.159 3.016 -1.854 1.00 0.00 H new ATOM 0 HB3 CYS A 55 14.762 2.823 -1.174 1.00 0.00 H new ATOM 0 HG CYS A 55 13.513 1.046 -3.582 1.00 0.00 H new ATOM 834 N ALA A 56 15.075 1.212 1.343 1.00 0.00 N ATOM 835 CA ALA A 56 15.956 0.291 2.040 1.00 0.00 C ATOM 836 C ALA A 56 15.123 -0.616 2.948 1.00 0.00 C ATOM 837 O ALA A 56 15.569 -1.698 3.328 1.00 0.00 O ATOM 838 CB ALA A 56 17.011 1.083 2.817 1.00 0.00 C ATOM 0 H ALA A 56 15.325 2.196 1.439 1.00 0.00 H new ATOM 0 HA ALA A 56 16.483 -0.347 1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.672 0.392 3.340 1.00 0.00 H new ATOM 0 HB2 ALA A 56 17.594 1.689 2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.518 1.732 3.541 1.00 0.00 H new ATOM 844 N GLU A 57 13.928 -0.142 3.269 1.00 0.00 N ATOM 845 CA GLU A 57 13.029 -0.898 4.124 1.00 0.00 C ATOM 846 C GLU A 57 12.036 -1.696 3.277 1.00 0.00 C ATOM 847 O GLU A 57 12.120 -2.921 3.205 1.00 0.00 O ATOM 848 CB GLU A 57 12.298 0.025 5.102 1.00 0.00 C ATOM 849 CG GLU A 57 12.593 -0.368 6.551 1.00 0.00 C ATOM 850 CD GLU A 57 11.452 0.058 7.478 1.00 0.00 C ATOM 851 OE1 GLU A 57 10.289 -0.056 7.035 1.00 0.00 O ATOM 852 OE2 GLU A 57 11.769 0.488 8.608 1.00 0.00 O ATOM 0 H GLU A 57 13.562 0.756 2.952 1.00 0.00 H new ATOM 0 HA GLU A 57 13.621 -1.600 4.711 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.604 1.057 4.932 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.224 -0.023 4.920 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.737 -1.446 6.617 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.523 0.098 6.876 1.00 0.00 H new ATOM 859 N THR A 58 11.118 -0.969 2.658 1.00 0.00 N ATOM 860 CA THR A 58 10.109 -1.593 1.818 1.00 0.00 C ATOM 861 C THR A 58 10.758 -2.219 0.582 1.00 0.00 C ATOM 862 O THR A 58 10.543 -3.395 0.292 1.00 0.00 O ATOM 863 CB THR A 58 9.054 -0.538 1.482 1.00 0.00 C ATOM 864 OG1 THR A 58 9.800 0.668 1.342 1.00 0.00 O ATOM 865 CG2 THR A 58 8.112 -0.258 2.655 1.00 0.00 C ATOM 0 H THR A 58 11.051 0.047 2.721 1.00 0.00 H new ATOM 0 HA THR A 58 9.614 -2.413 2.338 1.00 0.00 H new ATOM 0 HB THR A 58 8.474 -0.868 0.620 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.186 1.432 1.324 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.383 0.498 2.364 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.593 -1.176 2.932 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.689 0.103 3.506 1.00 0.00 H new ATOM 873 N GLY A 59 11.538 -1.405 -0.114 1.00 0.00 N ATOM 874 CA GLY A 59 12.219 -1.864 -1.313 1.00 0.00 C ATOM 875 C GLY A 59 11.641 -1.195 -2.562 1.00 0.00 C ATOM 876 O GLY A 59 12.056 -1.497 -3.680 1.00 0.00 O ATOM 0 H GLY A 59 11.714 -0.430 0.129 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.284 -1.643 -1.238 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.123 -2.946 -1.398 1.00 0.00 H new ATOM 880 N VAL A 60 10.692 -0.301 -2.329 1.00 0.00 N ATOM 881 CA VAL A 60 10.053 0.413 -3.422 1.00 0.00 C ATOM 882 C VAL A 60 11.039 1.425 -4.010 1.00 0.00 C ATOM 883 O VAL A 60 11.745 2.110 -3.272 1.00 0.00 O ATOM 884 CB VAL A 60 8.753 1.058 -2.936 1.00 0.00 C ATOM 885 CG1 VAL A 60 8.078 1.845 -4.062 1.00 0.00 C ATOM 886 CG2 VAL A 60 7.804 0.009 -2.355 1.00 0.00 C ATOM 0 H VAL A 60 10.350 -0.054 -1.400 1.00 0.00 H new ATOM 0 HA VAL A 60 9.780 -0.276 -4.221 1.00 0.00 H new ATOM 0 HB VAL A 60 9.004 1.759 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.156 2.293 -3.691 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.749 2.630 -4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.847 1.173 -4.888 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.888 0.494 -2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.563 -0.728 -3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.283 -0.488 -1.512 1.00 0.00 H new ATOM 896 N ARG A 61 11.055 1.486 -5.334 1.00 0.00 N ATOM 897 CA ARG A 61 11.943 2.402 -6.030 1.00 0.00 C ATOM 898 C ARG A 61 11.376 3.823 -5.990 1.00 0.00 C ATOM 899 O ARG A 61 10.171 4.010 -5.834 1.00 0.00 O ATOM 900 CB ARG A 61 12.138 1.979 -7.487 1.00 0.00 C ATOM 901 CG ARG A 61 12.861 0.633 -7.575 1.00 0.00 C ATOM 902 CD ARG A 61 13.538 0.463 -8.936 1.00 0.00 C ATOM 903 NE ARG A 61 14.840 -0.221 -8.772 1.00 0.00 N ATOM 904 CZ ARG A 61 15.894 0.312 -8.139 1.00 0.00 C ATOM 905 NH1 ARG A 61 15.806 1.539 -7.608 1.00 0.00 N ATOM 906 NH2 ARG A 61 17.036 -0.382 -8.038 1.00 0.00 N ATOM 0 H ARG A 61 10.467 0.916 -5.943 1.00 0.00 H new ATOM 0 HA ARG A 61 12.908 2.378 -5.524 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.169 1.909 -7.982 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.712 2.739 -8.017 1.00 0.00 H new ATOM 0 HG2 ARG A 61 13.606 0.564 -6.783 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.150 -0.177 -7.415 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.896 -0.114 -9.601 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.686 1.437 -9.402 1.00 0.00 H new ATOM 0 HE ARG A 61 14.941 -1.157 -9.165 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.937 2.067 -7.686 1.00 0.00 H new ATOM 0 HH12 ARG A 61 16.608 1.945 -7.126 1.00 0.00 H new ATOM 0 HH21 ARG A 61 17.103 -1.316 -8.443 1.00 0.00 H new ATOM 0 HH22 ARG A 61 17.838 0.024 -7.556 1.00 0.00 H new ATOM 920 N ARG A 62 12.273 4.787 -6.134 1.00 0.00 N ATOM 921 CA ARG A 62 11.878 6.185 -6.116 1.00 0.00 C ATOM 922 C ARG A 62 10.849 6.460 -7.215 1.00 0.00 C ATOM 923 O ARG A 62 9.801 7.050 -6.956 1.00 0.00 O ATOM 924 CB ARG A 62 13.086 7.102 -6.318 1.00 0.00 C ATOM 925 CG ARG A 62 12.657 8.569 -6.381 1.00 0.00 C ATOM 926 CD ARG A 62 13.679 9.407 -7.153 1.00 0.00 C ATOM 927 NE ARG A 62 13.367 9.380 -8.599 1.00 0.00 N ATOM 928 CZ ARG A 62 14.059 10.051 -9.530 1.00 0.00 C ATOM 929 NH1 ARG A 62 15.106 10.805 -9.171 1.00 0.00 N ATOM 930 NH2 ARG A 62 13.703 9.967 -10.819 1.00 0.00 N ATOM 0 H ARG A 62 13.272 4.628 -6.264 1.00 0.00 H new ATOM 0 HA ARG A 62 11.438 6.392 -5.141 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.794 6.961 -5.501 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.603 6.831 -7.239 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.681 8.646 -6.861 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.547 8.963 -5.371 1.00 0.00 H new ATOM 0 HD2 ARG A 62 13.668 10.435 -6.789 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.683 9.019 -6.982 1.00 0.00 H new ATOM 0 HE ARG A 62 12.575 8.815 -8.907 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.376 10.868 -8.189 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.633 11.316 -9.879 1.00 0.00 H new ATOM 0 HH21 ARG A 62 12.905 9.392 -11.091 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.230 10.478 -11.528 1.00 0.00 H new ATOM 944 N GLN A 63 11.184 6.019 -8.418 1.00 0.00 N ATOM 945 CA GLN A 63 10.302 6.210 -9.558 1.00 0.00 C ATOM 946 C GLN A 63 8.969 5.498 -9.322 1.00 0.00 C ATOM 947 O GLN A 63 7.909 6.040 -9.630 1.00 0.00 O ATOM 948 CB GLN A 63 10.963 5.724 -10.849 1.00 0.00 C ATOM 949 CG GLN A 63 10.740 4.223 -11.048 1.00 0.00 C ATOM 950 CD GLN A 63 11.420 3.732 -12.327 1.00 0.00 C ATOM 951 OE1 GLN A 63 11.007 4.033 -13.435 1.00 0.00 O ATOM 952 NE2 GLN A 63 12.483 2.961 -12.114 1.00 0.00 N ATOM 0 H GLN A 63 12.054 5.530 -8.629 1.00 0.00 H new ATOM 0 HA GLN A 63 10.107 7.277 -9.668 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.556 6.272 -11.699 1.00 0.00 H new ATOM 0 HB3 GLN A 63 12.032 5.935 -10.816 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.133 3.677 -10.190 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.671 4.014 -11.097 1.00 0.00 H new ATOM 0 HE21 GLN A 63 12.775 2.748 -11.160 1.00 0.00 H new ATOM 0 HE22 GLN A 63 13.006 2.583 -12.904 1.00 0.00 H new ATOM 961 N VAL A 64 9.065 4.294 -8.777 1.00 0.00 N ATOM 962 CA VAL A 64 7.880 3.502 -8.497 1.00 0.00 C ATOM 963 C VAL A 64 7.079 4.170 -7.377 1.00 0.00 C ATOM 964 O VAL A 64 5.895 4.462 -7.545 1.00 0.00 O ATOM 965 CB VAL A 64 8.278 2.062 -8.169 1.00 0.00 C ATOM 966 CG1 VAL A 64 7.041 1.185 -7.961 1.00 0.00 C ATOM 967 CG2 VAL A 64 9.184 1.482 -9.257 1.00 0.00 C ATOM 0 H VAL A 64 9.946 3.848 -8.522 1.00 0.00 H new ATOM 0 HA VAL A 64 7.236 3.455 -9.375 1.00 0.00 H new ATOM 0 HB VAL A 64 8.841 2.075 -7.236 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.352 0.166 -7.729 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.449 1.581 -7.135 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.440 1.183 -8.870 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.452 0.457 -8.999 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.657 1.490 -10.211 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.089 2.085 -9.337 1.00 0.00 H new ATOM 977 N LEU A 65 7.756 4.394 -6.261 1.00 0.00 N ATOM 978 CA LEU A 65 7.122 5.023 -5.114 1.00 0.00 C ATOM 979 C LEU A 65 6.479 6.340 -5.551 1.00 0.00 C ATOM 980 O LEU A 65 5.373 6.667 -5.124 1.00 0.00 O ATOM 981 CB LEU A 65 8.123 5.177 -3.967 1.00 0.00 C ATOM 982 CG LEU A 65 7.546 5.064 -2.554 1.00 0.00 C ATOM 983 CD1 LEU A 65 8.655 5.131 -1.502 1.00 0.00 C ATOM 984 CD2 LEU A 65 6.466 6.121 -2.317 1.00 0.00 C ATOM 0 H LEU A 65 8.737 4.151 -6.126 1.00 0.00 H new ATOM 0 HA LEU A 65 6.323 4.392 -4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.898 4.420 -4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.609 6.148 -4.063 1.00 0.00 H new ATOM 0 HG LEU A 65 7.069 4.089 -2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.218 5.048 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.356 4.311 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.182 6.081 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.073 6.019 -1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.896 7.115 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.658 5.984 -3.036 1.00 0.00 H new ATOM 996 N LYS A 66 7.200 7.062 -6.397 1.00 0.00 N ATOM 997 CA LYS A 66 6.714 8.337 -6.896 1.00 0.00 C ATOM 998 C LYS A 66 5.465 8.103 -7.749 1.00 0.00 C ATOM 999 O LYS A 66 4.415 8.691 -7.493 1.00 0.00 O ATOM 1000 CB LYS A 66 7.828 9.085 -7.630 1.00 0.00 C ATOM 1001 CG LYS A 66 7.383 10.500 -8.007 1.00 0.00 C ATOM 1002 CD LYS A 66 8.584 11.442 -8.112 1.00 0.00 C ATOM 1003 CE LYS A 66 9.207 11.382 -9.508 1.00 0.00 C ATOM 1004 NZ LYS A 66 8.437 12.219 -10.455 1.00 0.00 N ATOM 0 H LYS A 66 8.117 6.788 -6.749 1.00 0.00 H new ATOM 0 HA LYS A 66 6.420 8.983 -6.069 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.715 9.135 -6.998 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.108 8.536 -8.529 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.850 10.477 -8.958 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.685 10.877 -7.260 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.270 12.463 -7.893 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.330 11.171 -7.365 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.240 11.726 -9.467 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.228 10.350 -9.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.873 12.167 -11.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.458 11.873 -10.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.439 13.206 -10.127 1.00 0.00 H new ATOM 1018 N ILE A 67 5.620 7.242 -8.745 1.00 0.00 N ATOM 1019 CA ILE A 67 4.518 6.923 -9.636 1.00 0.00 C ATOM 1020 C ILE A 67 3.365 6.333 -8.824 1.00 0.00 C ATOM 1021 O ILE A 67 2.203 6.447 -9.213 1.00 0.00 O ATOM 1022 CB ILE A 67 4.995 6.019 -10.775 1.00 0.00 C ATOM 1023 CG1 ILE A 67 6.150 6.666 -11.542 1.00 0.00 C ATOM 1024 CG2 ILE A 67 3.834 5.641 -11.697 1.00 0.00 C ATOM 1025 CD1 ILE A 67 7.122 5.606 -12.065 1.00 0.00 C ATOM 0 H ILE A 67 6.492 6.756 -8.954 1.00 0.00 H new ATOM 0 HA ILE A 67 4.141 7.827 -10.114 1.00 0.00 H new ATOM 0 HB ILE A 67 5.376 5.094 -10.341 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.757 7.247 -12.376 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.680 7.361 -10.891 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.200 4.998 -12.498 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.073 5.110 -11.125 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.401 6.545 -12.126 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.934 6.092 -12.606 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.531 5.042 -11.227 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.594 4.927 -12.735 1.00 0.00 H new ATOM 1037 N TRP A 68 3.724 5.714 -7.709 1.00 0.00 N ATOM 1038 CA TRP A 68 2.734 5.105 -6.838 1.00 0.00 C ATOM 1039 C TRP A 68 2.008 6.226 -6.091 1.00 0.00 C ATOM 1040 O TRP A 68 0.794 6.165 -5.900 1.00 0.00 O ATOM 1041 CB TRP A 68 3.381 4.084 -5.900 1.00 0.00 C ATOM 1042 CG TRP A 68 2.411 3.457 -4.897 1.00 0.00 C ATOM 1043 CD1 TRP A 68 1.877 2.228 -4.922 1.00 0.00 C ATOM 1044 CD2 TRP A 68 1.878 4.083 -3.711 1.00 0.00 C ATOM 1045 NE1 TRP A 68 1.043 2.017 -3.844 1.00 0.00 N ATOM 1046 CE2 TRP A 68 1.043 3.181 -3.084 1.00 0.00 C ATOM 1047 CE3 TRP A 68 2.094 5.369 -3.185 1.00 0.00 C ATOM 1048 CZ2 TRP A 68 0.357 3.468 -1.897 1.00 0.00 C ATOM 1049 CZ3 TRP A 68 1.402 5.640 -1.999 1.00 0.00 C ATOM 1050 CH2 TRP A 68 0.557 4.743 -1.355 1.00 0.00 C ATOM 0 H TRP A 68 4.688 5.621 -7.389 1.00 0.00 H new ATOM 0 HA TRP A 68 2.003 4.543 -7.420 1.00 0.00 H new ATOM 0 HB2 TRP A 68 3.832 3.292 -6.498 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.189 4.570 -5.353 1.00 0.00 H new ATOM 0 HD1 TRP A 68 2.075 1.495 -5.690 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.522 1.164 -3.642 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.743 6.091 -3.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.291 2.744 -1.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 1.534 6.615 -1.553 1.00 0.00 H new ATOM 0 HH2 TRP A 68 0.057 5.029 -0.441 1.00 0.00 H new ATOM 1061 N MET A 69 2.782 7.223 -5.688 1.00 0.00 N ATOM 1062 CA MET A 69 2.228 8.356 -4.966 1.00 0.00 C ATOM 1063 C MET A 69 1.316 9.188 -5.870 1.00 0.00 C ATOM 1064 O MET A 69 0.264 9.655 -5.435 1.00 0.00 O ATOM 1065 CB MET A 69 3.366 9.233 -4.442 1.00 0.00 C ATOM 1066 CG MET A 69 4.041 8.590 -3.229 1.00 0.00 C ATOM 1067 SD MET A 69 4.281 9.808 -1.946 1.00 0.00 S ATOM 1068 CE MET A 69 6.016 10.161 -2.175 1.00 0.00 C ATOM 0 H MET A 69 3.788 7.270 -5.848 1.00 0.00 H new ATOM 0 HA MET A 69 1.636 7.978 -4.132 1.00 0.00 H new ATOM 0 HB2 MET A 69 4.102 9.390 -5.231 1.00 0.00 H new ATOM 0 HB3 MET A 69 2.977 10.214 -4.169 1.00 0.00 H new ATOM 0 HG2 MET A 69 3.428 7.770 -2.854 1.00 0.00 H new ATOM 0 HG3 MET A 69 5.001 8.163 -3.520 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.281 11.060 -1.618 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.609 9.321 -1.813 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.219 10.318 -3.234 1.00 0.00 H new ATOM 1078 N HIS A 70 1.751 9.348 -7.110 1.00 0.00 N ATOM 1079 CA HIS A 70 0.987 10.116 -8.079 1.00 0.00 C ATOM 1080 C HIS A 70 -0.279 9.347 -8.460 1.00 0.00 C ATOM 1081 O HIS A 70 -1.375 9.905 -8.454 1.00 0.00 O ATOM 1082 CB HIS A 70 1.849 10.475 -9.290 1.00 0.00 C ATOM 1083 CG HIS A 70 1.172 11.400 -10.274 1.00 0.00 C ATOM 1084 ND1 HIS A 70 1.114 12.771 -10.096 1.00 0.00 N ATOM 1085 CD2 HIS A 70 0.527 11.136 -11.446 1.00 0.00 C ATOM 1086 CE1 HIS A 70 0.460 13.298 -11.120 1.00 0.00 C ATOM 1087 NE2 HIS A 70 0.097 12.283 -11.956 1.00 0.00 N ATOM 0 H HIS A 70 2.624 8.959 -7.467 1.00 0.00 H new ATOM 0 HA HIS A 70 0.676 11.062 -7.635 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.770 10.943 -8.942 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.133 9.558 -9.806 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.389 10.159 -11.885 1.00 0.00 H new ATOM 0 HE1 HIS A 70 0.251 14.347 -11.267 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.420 12.388 -12.829 1.00 0.00 H new ATOM 1095 N ASN A 71 -0.087 8.076 -8.781 1.00 0.00 N ATOM 1096 CA ASN A 71 -1.199 7.224 -9.164 1.00 0.00 C ATOM 1097 C ASN A 71 -2.294 7.312 -8.099 1.00 0.00 C ATOM 1098 O ASN A 71 -3.477 7.169 -8.405 1.00 0.00 O ATOM 1099 CB ASN A 71 -0.762 5.762 -9.273 1.00 0.00 C ATOM 1100 CG ASN A 71 -0.479 5.380 -10.727 1.00 0.00 C ATOM 1101 OD1 ASN A 71 -1.221 4.647 -11.359 1.00 0.00 O ATOM 1102 ND2 ASN A 71 0.634 5.917 -11.220 1.00 0.00 N ATOM 0 H ASN A 71 0.823 7.616 -8.784 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.565 7.564 -10.133 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.132 5.600 -8.670 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.540 5.115 -8.868 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.911 5.723 -12.182 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.210 6.523 -10.636 1.00 0.00 H new ATOM 1109 N ASN A 72 -1.860 7.547 -6.869 1.00 0.00 N ATOM 1110 CA ASN A 72 -2.788 7.656 -5.756 1.00 0.00 C ATOM 1111 C ASN A 72 -3.369 9.071 -5.719 1.00 0.00 C ATOM 1112 O ASN A 72 -4.583 9.250 -5.806 1.00 0.00 O ATOM 1113 CB ASN A 72 -2.083 7.399 -4.423 1.00 0.00 C ATOM 1114 CG ASN A 72 -2.106 5.911 -4.068 1.00 0.00 C ATOM 1115 OD1 ASN A 72 -3.044 5.402 -3.475 1.00 0.00 O ATOM 1116 ND2 ASN A 72 -1.026 5.244 -4.463 1.00 0.00 N ATOM 0 H ASN A 72 -0.878 7.665 -6.619 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.573 6.913 -5.897 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.052 7.747 -4.480 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.570 7.972 -3.634 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.946 4.245 -4.274 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.277 5.731 -4.955 1.00 0.00 H new ATOM 1123 N LYS A 73 -2.475 10.040 -5.589 1.00 0.00 N ATOM 1124 CA LYS A 73 -2.884 11.433 -5.539 1.00 0.00 C ATOM 1125 C LYS A 73 -3.972 11.679 -6.586 1.00 0.00 C ATOM 1126 O LYS A 73 -4.963 12.353 -6.310 1.00 0.00 O ATOM 1127 CB LYS A 73 -1.670 12.353 -5.687 1.00 0.00 C ATOM 1128 CG LYS A 73 -2.068 13.689 -6.317 1.00 0.00 C ATOM 1129 CD LYS A 73 -0.877 14.648 -6.367 1.00 0.00 C ATOM 1130 CE LYS A 73 0.405 13.910 -6.757 1.00 0.00 C ATOM 1131 NZ LYS A 73 1.498 14.873 -7.021 1.00 0.00 N ATOM 0 H LYS A 73 -1.469 9.888 -5.517 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.317 11.668 -4.567 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.220 12.527 -4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.914 11.867 -6.304 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.447 13.521 -7.325 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.878 14.139 -5.743 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.076 15.443 -7.085 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.746 15.122 -5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.697 13.229 -5.957 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.226 13.302 -7.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.361 14.355 -7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.223 15.506 -7.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.679 15.435 -6.165 1.00 0.00 H new