USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 905 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 94 LYS NZ :NH3+ -169:sc=-0.00305 (180deg=-0.09) USER MOD Set 1.2: A 130 ASN : amide:sc= -0.822 K(o=-0.83,f=-3.3) USER MOD Set 2.1: A 115 ASN : amide:sc= 0.559 K(o=1.1,f=-4.4!) USER MOD Set 2.2: A 117 THR OG1 : rot 112:sc= 0.505 USER MOD Set 3.1: A 44 HIS : no HD1:sc= 0.0679 K(o=-2,f=-3.1) USER MOD Set 3.2: A 47 THR OG1 : rot 50:sc= -2.02! USER MOD Set 3.3: A 103 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 33 SER OG : rot -120:sc= 0.0856 USER MOD Set 4.2: A 35 THR OG1 : rot 180:sc= 0.0849 USER MOD Single : A 19 HIS : no HE2:sc= -0.283 K(o=1.8,f=-11!) USER MOD Single : A 25 LYS NZ :NH3+ 139:sc= 1.25 (180deg=-0.46!) USER MOD Single : A 27 MET CE :methyl -154:sc= 0 (180deg=-0.555) USER MOD Single : A 28 GLN : amide:sc= 1.04 K(o=1,f=-1.2!) USER MOD Single : A 32 ASN : amide:sc= -0.0934 K(o=-0.093,f=-1.2!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0.724 K(o=0.72,f=0) USER MOD Single : A 46 HIS : no HE2:sc= -1.38! C(o=-1.4!,f=-5.6!) USER MOD Single : A 52 GLN : amide:sc= -0.152 K(o=-0.15,f=-0.87) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 90:sc= 0.648 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 GLN : amide:sc= -0.036 K(o=-0.036,f=-1.2) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 84 GLN : amide:sc=-0.00366 K(o=-0.0037,f=-0.94) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -162:sc= -0.0459 (180deg=-0.341) USER MOD Single : A 99 CYS SG : rot -7:sc= -1.97! USER MOD Single : A 106 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.035) USER MOD Single : A 107 ASN : amide:sc= -0.687 K(o=-0.69,f=-4.1!) USER MOD Single : A 108 MET CE :methyl 167:sc= -0.0706 (180deg=-0.338) USER MOD Single : A 113 ASN : amide:sc= -0.23 K(o=-0.23,f=-1) USER MOD Single : A 122 ASN : amide:sc=-0.00465 X(o=-0.0047,f=-0.00037) USER MOD Single : A 123 THR OG1 : rot -10:sc= 0.418 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.855 K(o=-0.86,f=0) USER MOD ----------------------------------------------------------------- ATOM 308 N VAL A 18 -0.812 10.636 5.839 1.00 0.00 N ATOM 309 CA VAL A 18 -1.434 9.895 4.742 1.00 0.00 C ATOM 310 C VAL A 18 -0.471 8.861 4.145 1.00 0.00 C ATOM 311 O VAL A 18 -0.886 7.974 3.403 1.00 0.00 O ATOM 312 CB VAL A 18 -1.926 10.848 3.625 1.00 0.00 C ATOM 313 CG1 VAL A 18 -0.761 11.416 2.829 1.00 0.00 C ATOM 314 CG2 VAL A 18 -2.918 10.148 2.706 1.00 0.00 C ATOM 0 HA VAL A 18 -2.293 9.372 5.163 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.439 11.681 4.106 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.140 12.081 2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.103 11.974 3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.204 10.601 2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.247 10.840 1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.439 9.286 2.243 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.779 9.816 3.286 1.00 0.00 H new ATOM 324 N HIS A 19 0.811 8.971 4.488 1.00 0.00 N ATOM 325 CA HIS A 19 1.820 8.007 4.054 1.00 0.00 C ATOM 326 C HIS A 19 1.391 6.585 4.417 1.00 0.00 C ATOM 327 O HIS A 19 1.716 5.624 3.715 1.00 0.00 O ATOM 328 CB HIS A 19 3.171 8.331 4.706 1.00 0.00 C ATOM 329 CG HIS A 19 4.296 7.438 4.266 1.00 0.00 C ATOM 330 ND1 HIS A 19 4.701 6.327 4.975 1.00 0.00 N ATOM 331 CD2 HIS A 19 5.109 7.505 3.185 1.00 0.00 C ATOM 332 CE1 HIS A 19 5.712 5.754 4.353 1.00 0.00 C ATOM 333 NE2 HIS A 19 5.979 6.446 3.264 1.00 0.00 N ATOM 0 H HIS A 19 1.177 9.724 5.070 1.00 0.00 H new ATOM 0 HA HIS A 19 1.922 8.074 2.971 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.433 9.365 4.480 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.066 8.258 5.789 1.00 0.00 H new ATOM 0 HD1 HIS A 19 4.283 5.999 5.846 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.079 8.252 2.406 1.00 0.00 H new ATOM 0 HE1 HIS A 19 6.234 4.867 4.681 1.00 0.00 H new ATOM 342 N GLU A 20 0.653 6.459 5.513 1.00 0.00 N ATOM 343 CA GLU A 20 0.168 5.165 5.959 1.00 0.00 C ATOM 344 C GLU A 20 -1.251 4.907 5.453 1.00 0.00 C ATOM 345 O GLU A 20 -1.601 3.781 5.105 1.00 0.00 O ATOM 346 CB GLU A 20 0.183 5.084 7.490 1.00 0.00 C ATOM 347 CG GLU A 20 1.529 5.410 8.120 1.00 0.00 C ATOM 348 CD GLU A 20 2.652 4.538 7.600 1.00 0.00 C ATOM 349 OE1 GLU A 20 2.597 3.306 7.793 1.00 0.00 O ATOM 350 OE2 GLU A 20 3.591 5.081 6.985 1.00 0.00 O ATOM 0 H GLU A 20 0.378 7.240 6.108 1.00 0.00 H new ATOM 0 HA GLU A 20 0.832 4.404 5.549 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.566 5.770 7.886 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.113 4.079 7.792 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.770 6.456 7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.456 5.293 9.201 1.00 0.00 H new ATOM 357 N LEU A 21 -2.058 5.958 5.388 1.00 0.00 N ATOM 358 CA LEU A 21 -3.485 5.802 5.109 1.00 0.00 C ATOM 359 C LEU A 21 -3.772 5.685 3.620 1.00 0.00 C ATOM 360 O LEU A 21 -4.769 5.075 3.228 1.00 0.00 O ATOM 361 CB LEU A 21 -4.305 6.969 5.690 1.00 0.00 C ATOM 362 CG LEU A 21 -4.364 7.094 7.221 1.00 0.00 C ATOM 363 CD1 LEU A 21 -3.009 7.450 7.808 1.00 0.00 C ATOM 364 CD2 LEU A 21 -5.391 8.145 7.615 1.00 0.00 C ATOM 0 H LEU A 21 -1.755 6.922 5.523 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.785 4.873 5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.899 7.898 5.291 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.326 6.882 5.319 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.657 6.125 7.624 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.092 7.529 8.892 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.287 6.673 7.555 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.674 8.403 7.399 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.428 8.229 8.701 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.110 9.107 7.186 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.372 7.854 7.240 1.00 0.00 H new ATOM 376 N ALA A 22 -2.906 6.257 2.790 1.00 0.00 N ATOM 377 CA ALA A 22 -3.089 6.211 1.343 1.00 0.00 C ATOM 378 C ALA A 22 -3.197 4.769 0.853 1.00 0.00 C ATOM 379 O ALA A 22 -3.889 4.478 -0.121 1.00 0.00 O ATOM 380 CB ALA A 22 -1.944 6.922 0.638 1.00 0.00 C ATOM 0 H ALA A 22 -2.071 6.758 3.094 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.020 6.725 1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.097 6.878 -0.440 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.911 7.964 0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.002 6.435 0.891 1.00 0.00 H new ATOM 386 N ARG A 23 -2.530 3.869 1.564 1.00 0.00 N ATOM 387 CA ARG A 23 -2.499 2.461 1.193 1.00 0.00 C ATOM 388 C ARG A 23 -3.822 1.783 1.551 1.00 0.00 C ATOM 389 O ARG A 23 -4.316 0.922 0.820 1.00 0.00 O ATOM 390 CB ARG A 23 -1.313 1.782 1.891 1.00 0.00 C ATOM 391 CG ARG A 23 -1.596 1.244 3.286 1.00 0.00 C ATOM 392 CD ARG A 23 -0.321 0.744 3.951 1.00 0.00 C ATOM 393 NE ARG A 23 0.717 1.773 3.964 1.00 0.00 N ATOM 394 CZ ARG A 23 1.469 2.069 5.026 1.00 0.00 C ATOM 395 NH1 ARG A 23 1.359 1.371 6.147 1.00 0.00 N ATOM 396 NH2 ARG A 23 2.346 3.062 4.961 1.00 0.00 N ATOM 0 H ARG A 23 -2.000 4.092 2.406 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.369 2.369 0.115 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.969 0.958 1.266 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.493 2.498 1.956 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.045 2.027 3.897 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.321 0.432 3.226 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.540 0.434 4.973 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.045 -0.136 3.422 1.00 0.00 H new ATOM 0 HE ARG A 23 0.877 2.299 3.105 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.695 0.599 6.204 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.939 1.606 6.953 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.445 3.599 4.100 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.921 3.289 5.772 1.00 0.00 H new ATOM 410 N VAL A 24 -4.406 2.214 2.662 1.00 0.00 N ATOM 411 CA VAL A 24 -5.648 1.642 3.155 1.00 0.00 C ATOM 412 C VAL A 24 -6.819 2.136 2.315 1.00 0.00 C ATOM 413 O VAL A 24 -7.716 1.370 1.957 1.00 0.00 O ATOM 414 CB VAL A 24 -5.874 2.018 4.638 1.00 0.00 C ATOM 415 CG1 VAL A 24 -7.132 1.367 5.190 1.00 0.00 C ATOM 416 CG2 VAL A 24 -4.666 1.630 5.476 1.00 0.00 C ATOM 0 H VAL A 24 -4.033 2.965 3.242 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.580 0.557 3.078 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.006 3.099 4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.261 1.652 6.234 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.996 1.698 4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.042 0.283 5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.843 1.902 6.517 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.504 0.555 5.404 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.784 2.155 5.108 1.00 0.00 H new ATOM 426 N LYS A 25 -6.781 3.418 1.976 1.00 0.00 N ATOM 427 CA LYS A 25 -7.838 4.039 1.195 1.00 0.00 C ATOM 428 C LYS A 25 -7.850 3.474 -0.225 1.00 0.00 C ATOM 429 O LYS A 25 -8.911 3.293 -0.823 1.00 0.00 O ATOM 430 CB LYS A 25 -7.644 5.560 1.185 1.00 0.00 C ATOM 431 CG LYS A 25 -8.930 6.354 0.988 1.00 0.00 C ATOM 432 CD LYS A 25 -9.345 6.427 -0.469 1.00 0.00 C ATOM 433 CE LYS A 25 -10.696 7.103 -0.624 1.00 0.00 C ATOM 434 NZ LYS A 25 -11.001 7.405 -2.044 1.00 0.00 N ATOM 0 H LYS A 25 -6.023 4.050 2.233 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.803 3.816 1.650 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.184 5.862 2.126 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.945 5.820 0.391 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.730 5.895 1.569 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.794 7.364 1.376 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.594 6.976 -1.036 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.389 5.422 -0.888 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.474 6.459 -0.214 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.709 8.026 -0.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.001 7.195 -2.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.816 8.411 -2.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.400 6.821 -2.660 1.00 0.00 H new ATOM 448 N PHE A 26 -6.664 3.182 -0.755 1.00 0.00 N ATOM 449 CA PHE A 26 -6.550 2.573 -2.074 1.00 0.00 C ATOM 450 C PHE A 26 -7.243 1.214 -2.093 1.00 0.00 C ATOM 451 O PHE A 26 -8.051 0.935 -2.978 1.00 0.00 O ATOM 452 CB PHE A 26 -5.080 2.426 -2.485 1.00 0.00 C ATOM 453 CG PHE A 26 -4.893 1.729 -3.805 1.00 0.00 C ATOM 454 CD1 PHE A 26 -5.220 2.361 -4.994 1.00 0.00 C ATOM 455 CD2 PHE A 26 -4.398 0.435 -3.853 1.00 0.00 C ATOM 456 CE1 PHE A 26 -5.058 1.715 -6.207 1.00 0.00 C ATOM 457 CE2 PHE A 26 -4.232 -0.215 -5.061 1.00 0.00 C ATOM 458 CZ PHE A 26 -4.563 0.424 -6.240 1.00 0.00 C ATOM 0 H PHE A 26 -5.772 3.357 -0.291 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.041 3.228 -2.794 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.625 3.415 -2.538 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.548 1.871 -1.712 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.606 3.370 -4.974 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.139 -0.071 -2.935 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.318 2.218 -7.127 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.844 -1.222 -5.083 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.436 -0.083 -7.185 1.00 0.00 H new ATOM 468 N MET A 27 -6.937 0.379 -1.104 1.00 0.00 N ATOM 469 CA MET A 27 -7.562 -0.937 -0.992 1.00 0.00 C ATOM 470 C MET A 27 -9.080 -0.812 -0.898 1.00 0.00 C ATOM 471 O MET A 27 -9.809 -1.567 -1.542 1.00 0.00 O ATOM 472 CB MET A 27 -7.008 -1.691 0.219 1.00 0.00 C ATOM 473 CG MET A 27 -5.558 -2.115 0.049 1.00 0.00 C ATOM 474 SD MET A 27 -4.914 -3.009 1.474 1.00 0.00 S ATOM 475 CE MET A 27 -3.253 -3.377 0.916 1.00 0.00 C ATOM 0 H MET A 27 -6.261 0.589 -0.369 1.00 0.00 H new ATOM 0 HA MET A 27 -7.324 -1.505 -1.892 1.00 0.00 H new ATOM 0 HB2 MET A 27 -7.094 -1.059 1.103 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.620 -2.575 0.399 1.00 0.00 H new ATOM 0 HG2 MET A 27 -5.471 -2.744 -0.837 1.00 0.00 H new ATOM 0 HG3 MET A 27 -4.945 -1.231 -0.126 1.00 0.00 H new ATOM 0 HE1 MET A 27 -2.888 -4.270 1.424 1.00 0.00 H new ATOM 0 HE2 MET A 27 -3.260 -3.549 -0.160 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.598 -2.536 1.144 1.00 0.00 H new ATOM 485 N GLN A 28 -9.547 0.164 -0.122 1.00 0.00 N ATOM 486 CA GLN A 28 -10.979 0.407 0.029 1.00 0.00 C ATOM 487 C GLN A 28 -11.615 0.758 -1.313 1.00 0.00 C ATOM 488 O GLN A 28 -12.685 0.254 -1.659 1.00 0.00 O ATOM 489 CB GLN A 28 -11.231 1.547 1.011 1.00 0.00 C ATOM 490 CG GLN A 28 -12.700 1.722 1.363 1.00 0.00 C ATOM 491 CD GLN A 28 -13.001 3.086 1.951 1.00 0.00 C ATOM 492 OE1 GLN A 28 -12.363 4.083 1.601 1.00 0.00 O ATOM 493 NE2 GLN A 28 -13.978 3.143 2.838 1.00 0.00 N ATOM 0 H GLN A 28 -8.954 0.799 0.412 1.00 0.00 H new ATOM 0 HA GLN A 28 -11.429 -0.509 0.412 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.665 1.363 1.924 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -10.853 2.476 0.584 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.304 1.575 0.468 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -12.993 0.951 2.075 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.480 2.294 3.099 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.231 4.036 3.262 1.00 0.00 H new ATOM 502 N ASP A 29 -10.955 1.631 -2.061 1.00 0.00 N ATOM 503 CA ASP A 29 -11.464 2.060 -3.359 1.00 0.00 C ATOM 504 C ASP A 29 -11.580 0.893 -4.323 1.00 0.00 C ATOM 505 O ASP A 29 -12.583 0.756 -5.020 1.00 0.00 O ATOM 506 CB ASP A 29 -10.571 3.134 -3.981 1.00 0.00 C ATOM 507 CG ASP A 29 -10.908 4.528 -3.501 1.00 0.00 C ATOM 508 OD1 ASP A 29 -12.046 4.747 -3.029 1.00 0.00 O ATOM 509 OD2 ASP A 29 -10.047 5.423 -3.616 1.00 0.00 O ATOM 0 H ASP A 29 -10.067 2.056 -1.793 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.456 2.477 -3.183 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.530 2.915 -3.745 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.667 3.096 -5.066 1.00 0.00 H new ATOM 514 N VAL A 30 -10.558 0.055 -4.349 1.00 0.00 N ATOM 515 CA VAL A 30 -10.485 -1.038 -5.309 1.00 0.00 C ATOM 516 C VAL A 30 -11.536 -2.119 -5.032 1.00 0.00 C ATOM 517 O VAL A 30 -12.136 -2.652 -5.967 1.00 0.00 O ATOM 518 CB VAL A 30 -9.077 -1.671 -5.328 1.00 0.00 C ATOM 519 CG1 VAL A 30 -9.003 -2.803 -6.335 1.00 0.00 C ATOM 520 CG2 VAL A 30 -8.029 -0.618 -5.647 1.00 0.00 C ATOM 0 H VAL A 30 -9.762 0.110 -3.713 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.694 -0.606 -6.288 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.878 -2.081 -4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.001 -3.231 -6.328 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.728 -3.573 -6.071 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.227 -2.420 -7.330 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.041 -1.079 -5.657 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.236 -0.183 -6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.057 0.164 -4.889 1.00 0.00 H new ATOM 530 N VAL A 31 -11.769 -2.428 -3.757 1.00 0.00 N ATOM 531 CA VAL A 31 -12.738 -3.468 -3.395 1.00 0.00 C ATOM 532 C VAL A 31 -14.174 -2.987 -3.589 1.00 0.00 C ATOM 533 O VAL A 31 -15.079 -3.782 -3.832 1.00 0.00 O ATOM 534 CB VAL A 31 -12.557 -3.961 -1.939 1.00 0.00 C ATOM 535 CG1 VAL A 31 -11.178 -4.561 -1.748 1.00 0.00 C ATOM 536 CG2 VAL A 31 -12.792 -2.840 -0.937 1.00 0.00 C ATOM 0 H VAL A 31 -11.308 -1.981 -2.965 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.545 -4.304 -4.067 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.304 -4.733 -1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.069 -4.902 -0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.052 -5.406 -2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.420 -3.807 -1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.657 -3.222 0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.081 -2.034 -1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.807 -2.460 -1.048 1.00 0.00 H new ATOM 546 N ASN A 32 -14.377 -1.681 -3.483 1.00 0.00 N ATOM 547 CA ASN A 32 -15.697 -1.098 -3.685 1.00 0.00 C ATOM 548 C ASN A 32 -15.958 -0.861 -5.164 1.00 0.00 C ATOM 549 O ASN A 32 -17.105 -0.748 -5.601 1.00 0.00 O ATOM 550 CB ASN A 32 -15.822 0.216 -2.912 1.00 0.00 C ATOM 551 CG ASN A 32 -16.358 0.023 -1.508 1.00 0.00 C ATOM 552 OD1 ASN A 32 -17.184 -0.856 -1.257 1.00 0.00 O ATOM 553 ND2 ASN A 32 -15.894 0.846 -0.583 1.00 0.00 N ATOM 0 H ASN A 32 -13.646 -1.006 -3.259 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.442 -1.800 -3.310 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.845 0.696 -2.860 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -16.480 0.892 -3.458 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -16.220 0.766 0.380 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -15.210 1.561 -0.833 1.00 0.00 H new ATOM 560 N SER A 33 -14.885 -0.797 -5.931 1.00 0.00 N ATOM 561 CA SER A 33 -14.977 -0.603 -7.363 1.00 0.00 C ATOM 562 C SER A 33 -15.062 -1.954 -8.060 1.00 0.00 C ATOM 563 O SER A 33 -14.677 -2.978 -7.496 1.00 0.00 O ATOM 564 CB SER A 33 -13.759 0.181 -7.859 1.00 0.00 C ATOM 565 OG SER A 33 -13.834 0.439 -9.250 1.00 0.00 O ATOM 0 H SER A 33 -13.931 -0.878 -5.579 1.00 0.00 H new ATOM 0 HA SER A 33 -15.876 -0.033 -7.595 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.688 1.124 -7.317 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.851 -0.381 -7.641 1.00 0.00 H new ATOM 0 HG SER A 33 -13.062 0.036 -9.700 1.00 0.00 H new ATOM 571 N ASP A 34 -15.554 -1.958 -9.291 1.00 0.00 N ATOM 572 CA ASP A 34 -15.685 -3.194 -10.061 1.00 0.00 C ATOM 573 C ASP A 34 -14.319 -3.695 -10.508 1.00 0.00 C ATOM 574 O ASP A 34 -14.207 -4.774 -11.091 1.00 0.00 O ATOM 575 CB ASP A 34 -16.593 -2.986 -11.279 1.00 0.00 C ATOM 576 CG ASP A 34 -15.999 -2.039 -12.307 1.00 0.00 C ATOM 577 OD1 ASP A 34 -16.077 -0.809 -12.103 1.00 0.00 O ATOM 578 OD2 ASP A 34 -15.464 -2.520 -13.329 1.00 0.00 O ATOM 0 H ASP A 34 -15.870 -1.121 -9.781 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.140 -3.945 -9.415 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.786 -3.950 -11.750 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.555 -2.595 -10.946 1.00 0.00 H new ATOM 583 N THR A 35 -13.290 -2.903 -10.228 1.00 0.00 N ATOM 584 CA THR A 35 -11.915 -3.297 -10.484 1.00 0.00 C ATOM 585 C THR A 35 -11.613 -4.653 -9.846 1.00 0.00 C ATOM 586 O THR A 35 -11.226 -5.600 -10.531 1.00 0.00 O ATOM 587 CB THR A 35 -10.937 -2.238 -9.936 1.00 0.00 C ATOM 588 OG1 THR A 35 -11.232 -0.962 -10.518 1.00 0.00 O ATOM 589 CG2 THR A 35 -9.490 -2.608 -10.231 1.00 0.00 C ATOM 0 H THR A 35 -13.388 -1.974 -9.819 1.00 0.00 H new ATOM 0 HA THR A 35 -11.785 -3.378 -11.563 1.00 0.00 H new ATOM 0 HB THR A 35 -11.062 -2.193 -8.854 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.610 -0.291 -10.167 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.829 -1.839 -9.830 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.257 -3.566 -9.765 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.346 -2.684 -11.309 1.00 0.00 H new ATOM 597 N PHE A 36 -11.824 -4.758 -8.539 1.00 0.00 N ATOM 598 CA PHE A 36 -11.529 -5.998 -7.830 1.00 0.00 C ATOM 599 C PHE A 36 -12.629 -6.378 -6.847 1.00 0.00 C ATOM 600 O PHE A 36 -12.372 -7.106 -5.891 1.00 0.00 O ATOM 601 CB PHE A 36 -10.191 -5.899 -7.093 1.00 0.00 C ATOM 602 CG PHE A 36 -9.015 -6.353 -7.911 1.00 0.00 C ATOM 603 CD1 PHE A 36 -8.700 -7.700 -7.997 1.00 0.00 C ATOM 604 CD2 PHE A 36 -8.227 -5.441 -8.590 1.00 0.00 C ATOM 605 CE1 PHE A 36 -7.621 -8.126 -8.745 1.00 0.00 C ATOM 606 CE2 PHE A 36 -7.146 -5.862 -9.340 1.00 0.00 C ATOM 607 CZ PHE A 36 -6.843 -7.208 -9.418 1.00 0.00 C ATOM 0 H PHE A 36 -12.194 -4.009 -7.954 1.00 0.00 H new ATOM 0 HA PHE A 36 -11.470 -6.782 -8.585 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.031 -4.865 -6.786 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -10.242 -6.497 -6.183 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.306 -8.424 -7.473 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.460 -4.388 -8.533 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.386 -9.179 -8.803 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.538 -5.140 -9.865 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.999 -7.540 -10.005 1.00 0.00 H new ATOM 617 N LYS A 37 -13.862 -5.934 -7.096 1.00 0.00 N ATOM 618 CA LYS A 37 -14.979 -6.330 -6.239 1.00 0.00 C ATOM 619 C LYS A 37 -15.249 -7.831 -6.390 1.00 0.00 C ATOM 620 O LYS A 37 -15.977 -8.433 -5.605 1.00 0.00 O ATOM 621 CB LYS A 37 -16.241 -5.528 -6.571 1.00 0.00 C ATOM 622 CG LYS A 37 -17.317 -5.644 -5.499 1.00 0.00 C ATOM 623 CD LYS A 37 -18.415 -4.607 -5.671 1.00 0.00 C ATOM 624 CE LYS A 37 -19.219 -4.830 -6.940 1.00 0.00 C ATOM 625 NZ LYS A 37 -20.361 -3.884 -7.035 1.00 0.00 N ATOM 0 H LYS A 37 -14.109 -5.313 -7.867 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.708 -6.118 -5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -15.975 -4.479 -6.700 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.645 -5.873 -7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.754 -6.642 -5.532 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -16.861 -5.528 -4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -19.082 -4.640 -4.810 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.972 -3.611 -5.693 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.571 -4.708 -7.808 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.591 -5.854 -6.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -20.889 -4.064 -7.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -20.991 -4.018 -6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -20.003 -2.907 -7.040 1.00 0.00 H new ATOM 639 N GLY A 38 -14.640 -8.427 -7.416 1.00 0.00 N ATOM 640 CA GLY A 38 -14.759 -9.855 -7.635 1.00 0.00 C ATOM 641 C GLY A 38 -14.014 -10.660 -6.588 1.00 0.00 C ATOM 642 O GLY A 38 -14.292 -11.843 -6.387 1.00 0.00 O ATOM 0 H GLY A 38 -14.063 -7.939 -8.101 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.812 -10.136 -7.625 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.373 -10.103 -8.624 1.00 0.00 H new ATOM 646 N GLN A 39 -13.061 -10.021 -5.922 1.00 0.00 N ATOM 647 CA GLN A 39 -12.324 -10.656 -4.840 1.00 0.00 C ATOM 648 C GLN A 39 -12.591 -9.943 -3.523 1.00 0.00 C ATOM 649 O GLN A 39 -11.981 -8.916 -3.234 1.00 0.00 O ATOM 650 CB GLN A 39 -10.818 -10.671 -5.118 1.00 0.00 C ATOM 651 CG GLN A 39 -10.390 -11.686 -6.162 1.00 0.00 C ATOM 652 CD GLN A 39 -8.880 -11.782 -6.294 1.00 0.00 C ATOM 653 OE1 GLN A 39 -8.268 -11.090 -7.104 1.00 0.00 O ATOM 654 NE2 GLN A 39 -8.271 -12.633 -5.481 1.00 0.00 N ATOM 0 H GLN A 39 -12.780 -9.059 -6.114 1.00 0.00 H new ATOM 0 HA GLN A 39 -12.671 -11.687 -4.772 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -10.510 -9.678 -5.445 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.290 -10.878 -4.187 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.792 -12.665 -5.899 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.819 -11.414 -7.126 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.817 -13.189 -4.823 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.256 -12.732 -5.513 1.00 0.00 H new ATOM 663 N PRO A 40 -13.525 -10.468 -2.712 1.00 0.00 N ATOM 664 CA PRO A 40 -13.802 -9.925 -1.380 1.00 0.00 C ATOM 665 C PRO A 40 -12.587 -10.053 -0.471 1.00 0.00 C ATOM 666 O PRO A 40 -12.391 -9.263 0.451 1.00 0.00 O ATOM 667 CB PRO A 40 -14.954 -10.794 -0.858 1.00 0.00 C ATOM 668 CG PRO A 40 -15.533 -11.446 -2.068 1.00 0.00 C ATOM 669 CD PRO A 40 -14.393 -11.612 -3.031 1.00 0.00 C ATOM 0 HA PRO A 40 -14.048 -8.863 -1.409 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -14.595 -11.536 -0.145 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.700 -10.190 -0.341 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -15.977 -12.410 -1.818 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -16.324 -10.834 -2.501 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -13.878 -12.562 -2.888 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.732 -11.586 -4.067 1.00 0.00 H new ATOM 677 N ILE A 41 -11.777 -11.066 -0.748 1.00 0.00 N ATOM 678 CA ILE A 41 -10.557 -11.309 -0.005 1.00 0.00 C ATOM 679 C ILE A 41 -9.379 -11.354 -0.970 1.00 0.00 C ATOM 680 O ILE A 41 -9.432 -12.051 -1.985 1.00 0.00 O ATOM 681 CB ILE A 41 -10.620 -12.641 0.774 1.00 0.00 C ATOM 682 CG1 ILE A 41 -11.903 -12.730 1.606 1.00 0.00 C ATOM 683 CG2 ILE A 41 -9.404 -12.775 1.674 1.00 0.00 C ATOM 684 CD1 ILE A 41 -12.017 -11.655 2.665 1.00 0.00 C ATOM 0 H ILE A 41 -11.951 -11.739 -1.494 1.00 0.00 H new ATOM 0 HA ILE A 41 -10.434 -10.498 0.713 1.00 0.00 H new ATOM 0 HB ILE A 41 -10.624 -13.459 0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.763 -12.664 0.940 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.947 -13.707 2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.457 -13.717 2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.499 -12.757 1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.382 -11.947 2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.950 -11.782 3.213 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.177 -11.734 3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.006 -10.674 2.190 1.00 0.00 H new ATOM 696 N PHE A 42 -8.326 -10.614 -0.664 1.00 0.00 N ATOM 697 CA PHE A 42 -7.168 -10.561 -1.541 1.00 0.00 C ATOM 698 C PHE A 42 -6.148 -11.633 -1.195 1.00 0.00 C ATOM 699 O PHE A 42 -5.919 -11.950 -0.024 1.00 0.00 O ATOM 700 CB PHE A 42 -6.495 -9.189 -1.485 1.00 0.00 C ATOM 701 CG PHE A 42 -7.203 -8.131 -2.277 1.00 0.00 C ATOM 702 CD1 PHE A 42 -7.454 -8.311 -3.628 1.00 0.00 C ATOM 703 CD2 PHE A 42 -7.602 -6.949 -1.678 1.00 0.00 C ATOM 704 CE1 PHE A 42 -8.093 -7.334 -4.365 1.00 0.00 C ATOM 705 CE2 PHE A 42 -8.242 -5.969 -2.410 1.00 0.00 C ATOM 706 CZ PHE A 42 -8.488 -6.161 -3.754 1.00 0.00 C ATOM 0 H PHE A 42 -8.249 -10.045 0.179 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.534 -10.742 -2.551 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.432 -8.869 -0.445 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.473 -9.281 -1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.146 -9.227 -4.110 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.411 -6.792 -0.627 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.283 -7.487 -5.417 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.550 -5.052 -1.930 1.00 0.00 H new ATOM 0 HZ PHE A 42 -8.989 -5.395 -4.327 1.00 0.00 H new ATOM 716 N ASP A 43 -5.546 -12.189 -2.232 1.00 0.00 N ATOM 717 CA ASP A 43 -4.430 -13.104 -2.084 1.00 0.00 C ATOM 718 C ASP A 43 -3.142 -12.307 -1.916 1.00 0.00 C ATOM 719 O ASP A 43 -3.140 -11.081 -2.061 1.00 0.00 O ATOM 720 CB ASP A 43 -4.333 -14.024 -3.304 1.00 0.00 C ATOM 721 CG ASP A 43 -4.318 -13.248 -4.603 1.00 0.00 C ATOM 722 OD1 ASP A 43 -3.250 -12.741 -4.987 1.00 0.00 O ATOM 723 OD2 ASP A 43 -5.384 -13.134 -5.248 1.00 0.00 O ATOM 0 H ASP A 43 -5.818 -12.018 -3.200 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.586 -13.723 -1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -3.428 -14.627 -3.232 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.176 -14.715 -3.305 1.00 0.00 H new ATOM 728 N HIS A 44 -2.046 -12.990 -1.631 1.00 0.00 N ATOM 729 CA HIS A 44 -0.798 -12.310 -1.314 1.00 0.00 C ATOM 730 C HIS A 44 -0.001 -11.989 -2.570 1.00 0.00 C ATOM 731 O HIS A 44 0.920 -11.168 -2.534 1.00 0.00 O ATOM 732 CB HIS A 44 0.025 -13.127 -0.322 1.00 0.00 C ATOM 733 CG HIS A 44 -0.542 -13.082 1.064 1.00 0.00 C ATOM 734 ND1 HIS A 44 -0.630 -14.179 1.891 1.00 0.00 N ATOM 735 CD2 HIS A 44 -1.054 -12.043 1.771 1.00 0.00 C ATOM 736 CE1 HIS A 44 -1.170 -13.820 3.042 1.00 0.00 C ATOM 737 NE2 HIS A 44 -1.437 -12.529 2.995 1.00 0.00 N ATOM 0 H HIS A 44 -1.993 -14.008 -1.612 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.045 -11.359 -0.842 1.00 0.00 H new ATOM 0 HB2 HIS A 44 0.072 -14.163 -0.659 1.00 0.00 H new ATOM 0 HB3 HIS A 44 1.048 -12.750 -0.306 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.143 -11.021 1.432 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -1.361 -14.474 3.880 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -1.859 -11.982 3.746 1.00 0.00 H new ATOM 746 N ALA A 45 -0.373 -12.603 -3.683 1.00 0.00 N ATOM 747 CA ALA A 45 0.211 -12.251 -4.966 1.00 0.00 C ATOM 748 C ALA A 45 -0.258 -10.860 -5.365 1.00 0.00 C ATOM 749 O ALA A 45 0.544 -9.990 -5.716 1.00 0.00 O ATOM 750 CB ALA A 45 -0.168 -13.270 -6.028 1.00 0.00 C ATOM 0 H ALA A 45 -1.073 -13.344 -3.723 1.00 0.00 H new ATOM 0 HA ALA A 45 1.297 -12.253 -4.878 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.280 -12.987 -6.980 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.196 -14.254 -5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.253 -13.301 -6.132 1.00 0.00 H new ATOM 756 N HIS A 46 -1.567 -10.648 -5.276 1.00 0.00 N ATOM 757 CA HIS A 46 -2.145 -9.333 -5.511 1.00 0.00 C ATOM 758 C HIS A 46 -1.755 -8.376 -4.395 1.00 0.00 C ATOM 759 O HIS A 46 -1.778 -7.163 -4.575 1.00 0.00 O ATOM 760 CB HIS A 46 -3.667 -9.415 -5.643 1.00 0.00 C ATOM 761 CG HIS A 46 -4.114 -9.993 -6.950 1.00 0.00 C ATOM 762 ND1 HIS A 46 -4.522 -11.296 -7.098 1.00 0.00 N ATOM 763 CD2 HIS A 46 -4.201 -9.433 -8.179 1.00 0.00 C ATOM 764 CE1 HIS A 46 -4.841 -11.515 -8.358 1.00 0.00 C ATOM 765 NE2 HIS A 46 -4.654 -10.401 -9.039 1.00 0.00 N ATOM 0 H HIS A 46 -2.247 -11.372 -5.043 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.748 -8.952 -6.452 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.064 -10.022 -4.830 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.090 -8.417 -5.531 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -4.571 -11.987 -6.349 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.959 -8.412 -8.435 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.196 -12.450 -8.765 1.00 0.00 H new ATOM 774 N THR A 47 -1.396 -8.927 -3.240 1.00 0.00 N ATOM 775 CA THR A 47 -0.837 -8.123 -2.166 1.00 0.00 C ATOM 776 C THR A 47 0.428 -7.424 -2.645 1.00 0.00 C ATOM 777 O THR A 47 0.531 -6.201 -2.579 1.00 0.00 O ATOM 778 CB THR A 47 -0.501 -8.972 -0.925 1.00 0.00 C ATOM 779 OG1 THR A 47 -1.696 -9.515 -0.353 1.00 0.00 O ATOM 780 CG2 THR A 47 0.245 -8.146 0.114 1.00 0.00 C ATOM 0 H THR A 47 -1.482 -9.921 -3.027 1.00 0.00 H new ATOM 0 HA THR A 47 -1.592 -7.389 -1.884 1.00 0.00 H new ATOM 0 HB THR A 47 0.144 -9.791 -1.242 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.231 -9.940 -1.056 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.470 -8.768 0.980 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.174 -7.773 -0.317 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.375 -7.305 0.423 1.00 0.00 H new ATOM 788 N ARG A 48 1.376 -8.208 -3.156 1.00 0.00 N ATOM 789 CA ARG A 48 2.631 -7.662 -3.660 1.00 0.00 C ATOM 790 C ARG A 48 2.356 -6.686 -4.797 1.00 0.00 C ATOM 791 O ARG A 48 2.987 -5.635 -4.898 1.00 0.00 O ATOM 792 CB ARG A 48 3.543 -8.781 -4.161 1.00 0.00 C ATOM 793 CG ARG A 48 4.963 -8.321 -4.436 1.00 0.00 C ATOM 794 CD ARG A 48 5.764 -9.382 -5.171 1.00 0.00 C ATOM 795 NE ARG A 48 7.204 -9.168 -5.029 1.00 0.00 N ATOM 796 CZ ARG A 48 8.045 -9.000 -6.051 1.00 0.00 C ATOM 797 NH1 ARG A 48 7.593 -8.961 -7.301 1.00 0.00 N ATOM 798 NH2 ARG A 48 9.341 -8.865 -5.820 1.00 0.00 N ATOM 0 H ARG A 48 1.297 -9.222 -3.231 1.00 0.00 H new ATOM 0 HA ARG A 48 3.129 -7.140 -2.843 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.565 -9.581 -3.421 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.122 -9.202 -5.074 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.941 -7.406 -5.028 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.456 -8.080 -3.494 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.503 -10.367 -4.785 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.497 -9.372 -6.228 1.00 0.00 H new ATOM 0 HE ARG A 48 7.591 -9.146 -4.086 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.595 -9.060 -7.486 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.245 -8.832 -8.075 1.00 0.00 H new ATOM 0 HH21 ARG A 48 9.694 -8.890 -4.863 1.00 0.00 H new ATOM 0 HH22 ARG A 48 9.987 -8.736 -6.599 1.00 0.00 H new ATOM 812 N GLU A 49 1.400 -7.054 -5.640 1.00 0.00 N ATOM 813 CA GLU A 49 0.983 -6.225 -6.761 1.00 0.00 C ATOM 814 C GLU A 49 0.523 -4.850 -6.272 1.00 0.00 C ATOM 815 O GLU A 49 0.965 -3.819 -6.780 1.00 0.00 O ATOM 816 CB GLU A 49 -0.144 -6.932 -7.519 1.00 0.00 C ATOM 817 CG GLU A 49 -0.613 -6.209 -8.770 1.00 0.00 C ATOM 818 CD GLU A 49 -1.704 -6.972 -9.495 1.00 0.00 C ATOM 819 OE1 GLU A 49 -2.889 -6.779 -9.163 1.00 0.00 O ATOM 820 OE2 GLU A 49 -1.375 -7.779 -10.393 1.00 0.00 O ATOM 0 H GLU A 49 0.892 -7.936 -5.565 1.00 0.00 H new ATOM 0 HA GLU A 49 1.829 -6.075 -7.432 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.193 -7.931 -7.797 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.993 -7.058 -6.847 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.982 -5.220 -8.499 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.233 -6.061 -9.441 1.00 0.00 H new ATOM 827 N PHE A 50 -0.347 -4.850 -5.270 1.00 0.00 N ATOM 828 CA PHE A 50 -0.873 -3.614 -4.701 1.00 0.00 C ATOM 829 C PHE A 50 0.203 -2.842 -3.941 1.00 0.00 C ATOM 830 O PHE A 50 0.346 -1.633 -4.124 1.00 0.00 O ATOM 831 CB PHE A 50 -2.059 -3.913 -3.780 1.00 0.00 C ATOM 832 CG PHE A 50 -3.366 -4.087 -4.505 1.00 0.00 C ATOM 833 CD1 PHE A 50 -3.443 -4.837 -5.669 1.00 0.00 C ATOM 834 CD2 PHE A 50 -4.516 -3.484 -4.026 1.00 0.00 C ATOM 835 CE1 PHE A 50 -4.642 -4.986 -6.335 1.00 0.00 C ATOM 836 CE2 PHE A 50 -5.718 -3.628 -4.691 1.00 0.00 C ATOM 837 CZ PHE A 50 -5.781 -4.379 -5.848 1.00 0.00 C ATOM 0 H PHE A 50 -0.706 -5.698 -4.832 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.212 -2.989 -5.527 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.846 -4.819 -3.213 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.160 -3.102 -3.059 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.554 -5.310 -6.059 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.473 -2.894 -3.122 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.689 -5.578 -7.237 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.608 -3.153 -4.306 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.720 -4.491 -6.370 1.00 0.00 H new ATOM 847 N ILE A 51 0.963 -3.542 -3.100 1.00 0.00 N ATOM 848 CA ILE A 51 2.011 -2.900 -2.307 1.00 0.00 C ATOM 849 C ILE A 51 3.028 -2.206 -3.209 1.00 0.00 C ATOM 850 O ILE A 51 3.352 -1.031 -3.014 1.00 0.00 O ATOM 851 CB ILE A 51 2.751 -3.904 -1.396 1.00 0.00 C ATOM 852 CG1 ILE A 51 1.792 -4.497 -0.363 1.00 0.00 C ATOM 853 CG2 ILE A 51 3.924 -3.224 -0.697 1.00 0.00 C ATOM 854 CD1 ILE A 51 2.442 -5.508 0.555 1.00 0.00 C ATOM 0 H ILE A 51 0.874 -4.547 -2.950 1.00 0.00 H new ATOM 0 HA ILE A 51 1.513 -2.164 -1.676 1.00 0.00 H new ATOM 0 HB ILE A 51 3.136 -4.713 -2.017 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.373 -3.690 0.238 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.960 -4.972 -0.882 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.435 -3.945 -0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.621 -2.842 -1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.556 -2.398 -0.089 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.703 -5.886 1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.836 -6.335 -0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.256 -5.032 1.102 1.00 0.00 H new ATOM 866 N GLN A 52 3.510 -2.931 -4.211 1.00 0.00 N ATOM 867 CA GLN A 52 4.517 -2.402 -5.118 1.00 0.00 C ATOM 868 C GLN A 52 3.959 -1.235 -5.923 1.00 0.00 C ATOM 869 O GLN A 52 4.671 -0.279 -6.206 1.00 0.00 O ATOM 870 CB GLN A 52 5.029 -3.496 -6.056 1.00 0.00 C ATOM 871 CG GLN A 52 6.167 -3.041 -6.958 1.00 0.00 C ATOM 872 CD GLN A 52 7.366 -2.533 -6.177 1.00 0.00 C ATOM 873 OE1 GLN A 52 7.631 -2.976 -5.061 1.00 0.00 O ATOM 874 NE2 GLN A 52 8.096 -1.594 -6.756 1.00 0.00 N ATOM 0 H GLN A 52 3.219 -3.887 -4.415 1.00 0.00 H new ATOM 0 HA GLN A 52 5.353 -2.040 -4.519 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.365 -4.345 -5.461 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.204 -3.848 -6.675 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.477 -3.872 -7.592 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.808 -2.252 -7.619 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.844 -1.252 -7.683 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.911 -1.212 -6.275 1.00 0.00 H new ATOM 883 N SER A 53 2.678 -1.306 -6.274 1.00 0.00 N ATOM 884 CA SER A 53 2.042 -0.245 -7.044 1.00 0.00 C ATOM 885 C SER A 53 1.964 1.039 -6.213 1.00 0.00 C ATOM 886 O SER A 53 2.069 2.149 -6.743 1.00 0.00 O ATOM 887 CB SER A 53 0.645 -0.677 -7.499 1.00 0.00 C ATOM 888 OG SER A 53 0.137 0.197 -8.494 1.00 0.00 O ATOM 0 H SER A 53 2.063 -2.085 -6.038 1.00 0.00 H new ATOM 0 HA SER A 53 2.645 -0.048 -7.930 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.685 -1.694 -7.890 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.031 -0.691 -6.644 1.00 0.00 H new ATOM 0 HG SER A 53 -0.755 -0.102 -8.768 1.00 0.00 H new ATOM 894 N PHE A 54 1.796 0.879 -4.904 1.00 0.00 N ATOM 895 CA PHE A 54 1.781 2.010 -3.985 1.00 0.00 C ATOM 896 C PHE A 54 3.128 2.731 -4.014 1.00 0.00 C ATOM 897 O PHE A 54 3.189 3.951 -4.144 1.00 0.00 O ATOM 898 CB PHE A 54 1.457 1.529 -2.565 1.00 0.00 C ATOM 899 CG PHE A 54 1.502 2.609 -1.520 1.00 0.00 C ATOM 900 CD1 PHE A 54 0.500 3.563 -1.444 1.00 0.00 C ATOM 901 CD2 PHE A 54 2.548 2.669 -0.611 1.00 0.00 C ATOM 902 CE1 PHE A 54 0.542 4.557 -0.484 1.00 0.00 C ATOM 903 CE2 PHE A 54 2.594 3.660 0.350 1.00 0.00 C ATOM 904 CZ PHE A 54 1.590 4.605 0.414 1.00 0.00 C ATOM 0 H PHE A 54 1.668 -0.028 -4.455 1.00 0.00 H new ATOM 0 HA PHE A 54 1.008 2.712 -4.299 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.464 1.080 -2.564 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.162 0.744 -2.290 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.323 3.530 -2.143 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.336 1.932 -0.655 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.244 5.296 -0.436 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.415 3.695 1.051 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.624 5.380 1.165 1.00 0.00 H new ATOM 914 N ILE A 55 4.206 1.960 -3.924 1.00 0.00 N ATOM 915 CA ILE A 55 5.559 2.512 -3.965 1.00 0.00 C ATOM 916 C ILE A 55 5.919 2.932 -5.396 1.00 0.00 C ATOM 917 O ILE A 55 6.853 3.705 -5.630 1.00 0.00 O ATOM 918 CB ILE A 55 6.589 1.477 -3.450 1.00 0.00 C ATOM 919 CG1 ILE A 55 6.143 0.928 -2.091 1.00 0.00 C ATOM 920 CG2 ILE A 55 7.976 2.099 -3.341 1.00 0.00 C ATOM 921 CD1 ILE A 55 7.033 -0.172 -1.551 1.00 0.00 C ATOM 0 H ILE A 55 4.171 0.946 -3.822 1.00 0.00 H new ATOM 0 HA ILE A 55 5.588 3.388 -3.316 1.00 0.00 H new ATOM 0 HB ILE A 55 6.642 0.656 -4.165 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.116 1.746 -1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.125 0.548 -2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.682 1.352 -2.977 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.295 2.452 -4.322 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.945 2.938 -2.646 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.652 -0.508 -0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.042 -1.009 -2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.047 0.208 -1.428 1.00 0.00 H new ATOM 933 N GLU A 56 5.160 2.419 -6.349 1.00 0.00 N ATOM 934 CA GLU A 56 5.379 2.714 -7.756 1.00 0.00 C ATOM 935 C GLU A 56 4.772 4.066 -8.122 1.00 0.00 C ATOM 936 O GLU A 56 5.186 4.694 -9.087 1.00 0.00 O ATOM 937 CB GLU A 56 4.782 1.597 -8.613 1.00 0.00 C ATOM 938 CG GLU A 56 5.161 1.660 -10.080 1.00 0.00 C ATOM 939 CD GLU A 56 4.757 0.405 -10.817 1.00 0.00 C ATOM 940 OE1 GLU A 56 3.602 0.325 -11.283 1.00 0.00 O ATOM 941 OE2 GLU A 56 5.589 -0.519 -10.922 1.00 0.00 O ATOM 0 H GLU A 56 4.378 1.789 -6.171 1.00 0.00 H new ATOM 0 HA GLU A 56 6.451 2.768 -7.947 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.101 0.636 -8.209 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.696 1.633 -8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.683 2.523 -10.542 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.237 1.805 -10.172 1.00 0.00 H new ATOM 948 N ARG A 57 3.812 4.516 -7.320 1.00 0.00 N ATOM 949 CA ARG A 57 3.162 5.812 -7.530 1.00 0.00 C ATOM 950 C ARG A 57 4.190 6.946 -7.481 1.00 0.00 C ATOM 951 O ARG A 57 3.986 8.009 -8.062 1.00 0.00 O ATOM 952 CB ARG A 57 2.063 6.011 -6.471 1.00 0.00 C ATOM 953 CG ARG A 57 1.092 7.153 -6.757 1.00 0.00 C ATOM 954 CD ARG A 57 1.651 8.505 -6.341 1.00 0.00 C ATOM 955 NE ARG A 57 0.744 9.599 -6.679 1.00 0.00 N ATOM 956 CZ ARG A 57 1.091 10.885 -6.666 1.00 0.00 C ATOM 957 NH1 ARG A 57 2.329 11.240 -6.345 1.00 0.00 N ATOM 958 NH2 ARG A 57 0.194 11.810 -6.978 1.00 0.00 N ATOM 0 H ARG A 57 3.463 4.000 -6.512 1.00 0.00 H new ATOM 0 HA ARG A 57 2.703 5.829 -8.518 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.495 5.085 -6.380 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.537 6.190 -5.506 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.859 7.171 -7.822 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.156 6.972 -6.229 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.836 8.506 -5.267 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.612 8.666 -6.830 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.213 9.364 -6.941 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.019 10.527 -6.107 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.591 12.226 -6.336 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.756 11.535 -7.226 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.454 12.796 -6.970 1.00 0.00 H new ATOM 972 N ASP A 58 5.309 6.713 -6.810 1.00 0.00 N ATOM 973 CA ASP A 58 6.363 7.720 -6.730 1.00 0.00 C ATOM 974 C ASP A 58 7.035 7.942 -8.082 1.00 0.00 C ATOM 975 O ASP A 58 7.814 8.883 -8.248 1.00 0.00 O ATOM 976 CB ASP A 58 7.405 7.348 -5.676 1.00 0.00 C ATOM 977 CG ASP A 58 6.928 7.660 -4.276 1.00 0.00 C ATOM 978 OD1 ASP A 58 6.850 8.858 -3.924 1.00 0.00 O ATOM 979 OD2 ASP A 58 6.637 6.716 -3.518 1.00 0.00 O ATOM 0 H ASP A 58 5.512 5.844 -6.316 1.00 0.00 H new ATOM 0 HA ASP A 58 5.888 8.655 -6.432 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.635 6.285 -5.753 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.330 7.890 -5.873 1.00 0.00 H new ATOM 984 N ASP A 59 6.723 7.091 -9.057 1.00 0.00 N ATOM 985 CA ASP A 59 7.216 7.289 -10.414 1.00 0.00 C ATOM 986 C ASP A 59 6.576 8.542 -10.994 1.00 0.00 C ATOM 987 O ASP A 59 7.183 9.246 -11.796 1.00 0.00 O ATOM 988 CB ASP A 59 6.922 6.071 -11.309 1.00 0.00 C ATOM 989 CG ASP A 59 5.673 6.227 -12.170 1.00 0.00 C ATOM 990 OD1 ASP A 59 5.789 6.739 -13.304 1.00 0.00 O ATOM 991 OD2 ASP A 59 4.577 5.817 -11.731 1.00 0.00 O ATOM 0 H ASP A 59 6.137 6.266 -8.933 1.00 0.00 H new ATOM 0 HA ASP A 59 8.299 7.407 -10.378 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.779 5.893 -11.958 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.810 5.188 -10.680 1.00 0.00 H new ATOM 996 N THR A 60 5.354 8.821 -10.550 1.00 0.00 N ATOM 997 CA THR A 60 4.627 10.004 -10.973 1.00 0.00 C ATOM 998 C THR A 60 5.358 11.266 -10.516 1.00 0.00 C ATOM 999 O THR A 60 5.432 12.259 -11.240 1.00 0.00 O ATOM 1000 CB THR A 60 3.201 9.987 -10.391 1.00 0.00 C ATOM 1001 OG1 THR A 60 2.656 8.662 -10.478 1.00 0.00 O ATOM 1002 CG2 THR A 60 2.290 10.947 -11.133 1.00 0.00 C ATOM 0 H THR A 60 4.845 8.233 -9.890 1.00 0.00 H new ATOM 0 HA THR A 60 4.567 10.004 -12.061 1.00 0.00 H new ATOM 0 HB THR A 60 3.262 10.301 -9.349 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.881 8.162 -9.666 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.291 10.911 -10.698 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.685 11.960 -11.052 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.238 10.661 -12.184 1.00 0.00 H new ATOM 1010 N GLU A 61 5.925 11.199 -9.315 1.00 0.00 N ATOM 1011 CA GLU A 61 6.685 12.309 -8.760 1.00 0.00 C ATOM 1012 C GLU A 61 7.989 12.485 -9.525 1.00 0.00 C ATOM 1013 O GLU A 61 8.368 13.599 -9.892 1.00 0.00 O ATOM 1014 CB GLU A 61 6.989 12.052 -7.285 1.00 0.00 C ATOM 1015 CG GLU A 61 5.750 11.856 -6.431 1.00 0.00 C ATOM 1016 CD GLU A 61 4.916 13.113 -6.316 1.00 0.00 C ATOM 1017 OE1 GLU A 61 4.210 13.458 -7.287 1.00 0.00 O ATOM 1018 OE2 GLU A 61 4.957 13.759 -5.253 1.00 0.00 O ATOM 0 H GLU A 61 5.871 10.382 -8.707 1.00 0.00 H new ATOM 0 HA GLU A 61 6.090 13.218 -8.851 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.620 11.167 -7.202 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.563 12.891 -6.890 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.142 11.059 -6.858 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.048 11.530 -5.435 1.00 0.00 H new ATOM 1025 N LEU A 62 8.666 11.369 -9.764 1.00 0.00 N ATOM 1026 CA LEU A 62 9.928 11.375 -10.490 1.00 0.00 C ATOM 1027 C LEU A 62 9.724 11.838 -11.929 1.00 0.00 C ATOM 1028 O LEU A 62 10.589 12.494 -12.511 1.00 0.00 O ATOM 1029 CB LEU A 62 10.546 9.974 -10.463 1.00 0.00 C ATOM 1030 CG LEU A 62 11.992 9.889 -10.950 1.00 0.00 C ATOM 1031 CD1 LEU A 62 12.879 10.802 -10.125 1.00 0.00 C ATOM 1032 CD2 LEU A 62 12.495 8.457 -10.877 1.00 0.00 C ATOM 0 H LEU A 62 8.359 10.444 -9.463 1.00 0.00 H new ATOM 0 HA LEU A 62 10.607 12.075 -10.004 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.501 9.594 -9.442 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.934 9.313 -11.076 1.00 0.00 H new ATOM 0 HG LEU A 62 12.027 10.214 -11.990 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.906 10.732 -10.483 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.531 11.831 -10.220 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.838 10.501 -9.078 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.526 8.415 -11.228 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.448 8.107 -9.846 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.872 7.820 -11.505 1.00 0.00 H new ATOM 1044 N ASP A 63 8.569 11.502 -12.490 1.00 0.00 N ATOM 1045 CA ASP A 63 8.220 11.900 -13.847 1.00 0.00 C ATOM 1046 C ASP A 63 8.159 13.413 -13.964 1.00 0.00 C ATOM 1047 O ASP A 63 8.684 13.990 -14.911 1.00 0.00 O ATOM 1048 CB ASP A 63 6.875 11.293 -14.249 1.00 0.00 C ATOM 1049 CG ASP A 63 6.464 11.670 -15.657 1.00 0.00 C ATOM 1050 OD1 ASP A 63 6.986 11.059 -16.614 1.00 0.00 O ATOM 1051 OD2 ASP A 63 5.610 12.568 -15.813 1.00 0.00 O ATOM 0 H ASP A 63 7.852 10.949 -12.020 1.00 0.00 H new ATOM 0 HA ASP A 63 8.993 11.529 -14.520 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.932 10.207 -14.169 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.107 11.624 -13.549 1.00 0.00 H new ATOM 1056 N GLU A 64 7.538 14.059 -12.983 1.00 0.00 N ATOM 1057 CA GLU A 64 7.424 15.509 -12.996 1.00 0.00 C ATOM 1058 C GLU A 64 8.781 16.171 -12.770 1.00 0.00 C ATOM 1059 O GLU A 64 9.015 17.284 -13.232 1.00 0.00 O ATOM 1060 CB GLU A 64 6.416 15.994 -11.959 1.00 0.00 C ATOM 1061 CG GLU A 64 5.004 15.505 -12.226 1.00 0.00 C ATOM 1062 CD GLU A 64 3.958 16.453 -11.689 1.00 0.00 C ATOM 1063 OE1 GLU A 64 3.630 16.373 -10.489 1.00 0.00 O ATOM 1064 OE2 GLU A 64 3.469 17.298 -12.469 1.00 0.00 O ATOM 0 H GLU A 64 7.110 13.605 -12.176 1.00 0.00 H new ATOM 0 HA GLU A 64 7.063 15.798 -13.983 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.730 15.657 -10.971 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.419 17.084 -11.940 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.862 15.381 -13.300 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.870 14.524 -11.771 1.00 0.00 H new ATOM 1071 N LEU A 65 9.673 15.484 -12.069 1.00 0.00 N ATOM 1072 CA LEU A 65 11.043 15.964 -11.914 1.00 0.00 C ATOM 1073 C LEU A 65 11.755 15.931 -13.263 1.00 0.00 C ATOM 1074 O LEU A 65 12.611 16.764 -13.555 1.00 0.00 O ATOM 1075 CB LEU A 65 11.806 15.115 -10.893 1.00 0.00 C ATOM 1076 CG LEU A 65 11.282 15.194 -9.459 1.00 0.00 C ATOM 1077 CD1 LEU A 65 12.069 14.262 -8.553 1.00 0.00 C ATOM 1078 CD2 LEU A 65 11.354 16.624 -8.940 1.00 0.00 C ATOM 0 H LEU A 65 9.477 14.599 -11.601 1.00 0.00 H new ATOM 0 HA LEU A 65 11.013 16.990 -11.547 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.778 14.074 -11.216 1.00 0.00 H new ATOM 0 HB3 LEU A 65 12.852 15.422 -10.898 1.00 0.00 H new ATOM 0 HG LEU A 65 10.238 14.879 -9.458 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.683 14.331 -7.536 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.969 13.237 -8.910 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.121 14.548 -8.562 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.977 16.660 -7.918 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.389 16.965 -8.957 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.748 17.272 -9.573 1.00 0.00 H new ATOM 1267 N PRO A 75 16.695 17.492 -12.610 1.00 0.00 N ATOM 1268 CA PRO A 75 17.280 17.554 -11.264 1.00 0.00 C ATOM 1269 C PRO A 75 18.054 16.297 -10.893 1.00 0.00 C ATOM 1270 O PRO A 75 17.467 15.277 -10.529 1.00 0.00 O ATOM 1271 CB PRO A 75 16.075 17.703 -10.327 1.00 0.00 C ATOM 1272 CG PRO A 75 14.860 17.600 -11.195 1.00 0.00 C ATOM 1273 CD PRO A 75 15.299 17.939 -12.590 1.00 0.00 C ATOM 0 HA PRO A 75 17.997 18.372 -11.199 1.00 0.00 H new ATOM 0 HB2 PRO A 75 16.076 16.925 -9.564 1.00 0.00 H new ATOM 0 HB3 PRO A 75 16.102 18.660 -9.806 1.00 0.00 H new ATOM 0 HG2 PRO A 75 14.439 16.595 -11.155 1.00 0.00 H new ATOM 0 HG3 PRO A 75 14.083 18.285 -10.856 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.699 17.423 -13.339 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.213 19.007 -12.793 1.00 0.00 H new ATOM 1281 N SER A 76 19.371 16.378 -10.984 1.00 0.00 N ATOM 1282 CA SER A 76 20.229 15.252 -10.670 1.00 0.00 C ATOM 1283 C SER A 76 20.175 14.936 -9.179 1.00 0.00 C ATOM 1284 O SER A 76 20.323 13.788 -8.774 1.00 0.00 O ATOM 1285 CB SER A 76 21.660 15.569 -11.100 1.00 0.00 C ATOM 1286 OG SER A 76 21.682 16.058 -12.431 1.00 0.00 O ATOM 0 H SER A 76 19.870 17.219 -11.275 1.00 0.00 H new ATOM 0 HA SER A 76 19.879 14.374 -11.212 1.00 0.00 H new ATOM 0 HB2 SER A 76 22.093 16.309 -10.427 1.00 0.00 H new ATOM 0 HB3 SER A 76 22.275 14.672 -11.025 1.00 0.00 H new ATOM 0 HG SER A 76 22.606 16.258 -12.691 1.00 0.00 H new ATOM 1292 N ASN A 77 19.932 15.958 -8.371 1.00 0.00 N ATOM 1293 CA ASN A 77 19.904 15.794 -6.925 1.00 0.00 C ATOM 1294 C ASN A 77 18.527 15.370 -6.443 1.00 0.00 C ATOM 1295 O ASN A 77 18.406 14.495 -5.591 1.00 0.00 O ATOM 1296 CB ASN A 77 20.317 17.091 -6.227 1.00 0.00 C ATOM 1297 CG ASN A 77 21.759 17.462 -6.499 1.00 0.00 C ATOM 1298 OD1 ASN A 77 22.061 18.151 -7.476 1.00 0.00 O ATOM 1299 ND2 ASN A 77 22.657 17.011 -5.639 1.00 0.00 N ATOM 0 H ASN A 77 19.751 16.909 -8.692 1.00 0.00 H new ATOM 0 HA ASN A 77 20.616 15.008 -6.671 1.00 0.00 H new ATOM 0 HB2 ASN A 77 19.668 17.901 -6.559 1.00 0.00 H new ATOM 0 HB3 ASN A 77 20.169 16.984 -5.152 1.00 0.00 H new ATOM 0 HD21 ASN A 77 23.644 17.230 -5.771 1.00 0.00 H new ATOM 0 HD22 ASN A 77 22.362 16.444 -4.844 1.00 0.00 H new ATOM 1306 N ARG A 78 17.485 15.977 -6.999 1.00 0.00 N ATOM 1307 CA ARG A 78 16.129 15.717 -6.530 1.00 0.00 C ATOM 1308 C ARG A 78 15.651 14.321 -6.910 1.00 0.00 C ATOM 1309 O ARG A 78 14.878 13.713 -6.173 1.00 0.00 O ATOM 1310 CB ARG A 78 15.153 16.775 -7.040 1.00 0.00 C ATOM 1311 CG ARG A 78 15.405 18.147 -6.441 1.00 0.00 C ATOM 1312 CD ARG A 78 14.239 19.090 -6.676 1.00 0.00 C ATOM 1313 NE ARG A 78 14.458 20.373 -6.014 1.00 0.00 N ATOM 1314 CZ ARG A 78 13.782 20.785 -4.942 1.00 0.00 C ATOM 1315 NH1 ARG A 78 12.798 20.045 -4.450 1.00 0.00 N ATOM 1316 NH2 ARG A 78 14.089 21.940 -4.364 1.00 0.00 N ATOM 0 H ARG A 78 17.551 16.645 -7.767 1.00 0.00 H new ATOM 0 HA ARG A 78 16.157 15.771 -5.442 1.00 0.00 H new ATOM 0 HB2 ARG A 78 15.228 16.838 -8.126 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.134 16.464 -6.808 1.00 0.00 H new ATOM 0 HG2 ARG A 78 15.582 18.049 -5.370 1.00 0.00 H new ATOM 0 HG3 ARG A 78 16.309 18.572 -6.876 1.00 0.00 H new ATOM 0 HD2 ARG A 78 14.105 19.248 -7.746 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.320 18.637 -6.303 1.00 0.00 H new ATOM 0 HE ARG A 78 15.173 20.992 -6.396 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.557 19.158 -4.892 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.282 20.363 -3.629 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.844 22.514 -4.740 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.570 22.253 -3.544 1.00 0.00 H new ATOM 1330 N GLN A 79 16.115 13.804 -8.044 1.00 0.00 N ATOM 1331 CA GLN A 79 15.791 12.432 -8.425 1.00 0.00 C ATOM 1332 C GLN A 79 16.420 11.459 -7.439 1.00 0.00 C ATOM 1333 O GLN A 79 15.809 10.461 -7.057 1.00 0.00 O ATOM 1334 CB GLN A 79 16.264 12.114 -9.844 1.00 0.00 C ATOM 1335 CG GLN A 79 15.528 12.886 -10.927 1.00 0.00 C ATOM 1336 CD GLN A 79 15.777 12.320 -12.312 1.00 0.00 C ATOM 1337 OE1 GLN A 79 15.994 11.121 -12.477 1.00 0.00 O ATOM 1338 NE2 GLN A 79 15.741 13.175 -13.318 1.00 0.00 N ATOM 0 H GLN A 79 16.707 14.305 -8.706 1.00 0.00 H new ATOM 0 HA GLN A 79 14.706 12.326 -8.403 1.00 0.00 H new ATOM 0 HB2 GLN A 79 17.330 12.330 -9.918 1.00 0.00 H new ATOM 0 HB3 GLN A 79 16.142 11.046 -10.026 1.00 0.00 H new ATOM 0 HG2 GLN A 79 14.458 12.870 -10.718 1.00 0.00 H new ATOM 0 HG3 GLN A 79 15.842 13.930 -10.902 1.00 0.00 H new ATOM 0 HE21 GLN A 79 15.558 14.163 -13.141 1.00 0.00 H new ATOM 0 HE22 GLN A 79 15.896 12.848 -14.271 1.00 0.00 H new ATOM 1347 N VAL A 80 17.635 11.774 -7.009 1.00 0.00 N ATOM 1348 CA VAL A 80 18.332 10.944 -6.034 1.00 0.00 C ATOM 1349 C VAL A 80 17.681 11.084 -4.662 1.00 0.00 C ATOM 1350 O VAL A 80 17.497 10.101 -3.947 1.00 0.00 O ATOM 1351 CB VAL A 80 19.832 11.308 -5.940 1.00 0.00 C ATOM 1352 CG1 VAL A 80 20.521 10.503 -4.846 1.00 0.00 C ATOM 1353 CG2 VAL A 80 20.524 11.082 -7.276 1.00 0.00 C ATOM 0 H VAL A 80 18.157 12.594 -7.318 1.00 0.00 H new ATOM 0 HA VAL A 80 18.257 9.910 -6.370 1.00 0.00 H new ATOM 0 HB VAL A 80 19.905 12.365 -5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 80 21.575 10.778 -4.801 1.00 0.00 H new ATOM 0 HG12 VAL A 80 20.049 10.715 -3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 80 20.433 9.439 -5.067 1.00 0.00 H new ATOM 0 HG21 VAL A 80 21.578 11.344 -7.189 1.00 0.00 H new ATOM 0 HG22 VAL A 80 20.433 10.034 -7.560 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.057 11.706 -8.038 1.00 0.00 H new ATOM 1363 N LEU A 81 17.312 12.311 -4.320 1.00 0.00 N ATOM 1364 CA LEU A 81 16.647 12.601 -3.054 1.00 0.00 C ATOM 1365 C LEU A 81 15.330 11.833 -2.953 1.00 0.00 C ATOM 1366 O LEU A 81 14.979 11.306 -1.895 1.00 0.00 O ATOM 1367 CB LEU A 81 16.393 14.106 -2.942 1.00 0.00 C ATOM 1368 CG LEU A 81 15.959 14.601 -1.564 1.00 0.00 C ATOM 1369 CD1 LEU A 81 17.075 14.394 -0.551 1.00 0.00 C ATOM 1370 CD2 LEU A 81 15.559 16.065 -1.632 1.00 0.00 C ATOM 0 H LEU A 81 17.464 13.131 -4.908 1.00 0.00 H new ATOM 0 HA LEU A 81 17.291 12.284 -2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 81 17.304 14.632 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 81 15.626 14.382 -3.666 1.00 0.00 H new ATOM 0 HG LEU A 81 15.093 14.023 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.750 14.752 0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 81 17.316 13.333 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 81 17.959 14.949 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 81 15.252 16.405 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 81 16.408 16.659 -1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.730 16.184 -2.330 1.00 0.00 H new ATOM 1382 N LEU A 82 14.608 11.774 -4.065 1.00 0.00 N ATOM 1383 CA LEU A 82 13.366 11.015 -4.137 1.00 0.00 C ATOM 1384 C LEU A 82 13.656 9.519 -4.054 1.00 0.00 C ATOM 1385 O LEU A 82 12.975 8.782 -3.337 1.00 0.00 O ATOM 1386 CB LEU A 82 12.618 11.347 -5.433 1.00 0.00 C ATOM 1387 CG LEU A 82 11.309 10.584 -5.659 1.00 0.00 C ATOM 1388 CD1 LEU A 82 10.333 10.831 -4.520 1.00 0.00 C ATOM 1389 CD2 LEU A 82 10.686 10.988 -6.983 1.00 0.00 C ATOM 0 H LEU A 82 14.863 12.245 -4.933 1.00 0.00 H new ATOM 0 HA LEU A 82 12.735 11.292 -3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.401 12.415 -5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 82 13.282 11.150 -6.275 1.00 0.00 H new ATOM 0 HG LEU A 82 11.537 9.518 -5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.412 10.278 -4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.776 10.496 -3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.111 11.896 -4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.757 10.438 -7.131 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.477 12.058 -6.976 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.376 10.759 -7.795 1.00 0.00 H new ATOM 1401 N GLN A 83 14.679 9.081 -4.784 1.00 0.00 N ATOM 1402 CA GLN A 83 15.113 7.689 -4.757 1.00 0.00 C ATOM 1403 C GLN A 83 15.455 7.251 -3.333 1.00 0.00 C ATOM 1404 O GLN A 83 15.119 6.143 -2.925 1.00 0.00 O ATOM 1405 CB GLN A 83 16.329 7.493 -5.666 1.00 0.00 C ATOM 1406 CG GLN A 83 16.807 6.052 -5.750 1.00 0.00 C ATOM 1407 CD GLN A 83 18.059 5.905 -6.588 1.00 0.00 C ATOM 1408 OE1 GLN A 83 18.294 6.678 -7.514 1.00 0.00 O ATOM 1409 NE2 GLN A 83 18.875 4.914 -6.266 1.00 0.00 N ATOM 0 H GLN A 83 15.226 9.677 -5.406 1.00 0.00 H new ATOM 0 HA GLN A 83 14.291 7.073 -5.121 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.082 7.843 -6.668 1.00 0.00 H new ATOM 0 HB3 GLN A 83 17.146 8.116 -5.303 1.00 0.00 H new ATOM 0 HG2 GLN A 83 17.000 5.677 -4.745 1.00 0.00 H new ATOM 0 HG3 GLN A 83 16.015 5.434 -6.174 1.00 0.00 H new ATOM 0 HE21 GLN A 83 18.643 4.294 -5.490 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.736 4.770 -6.794 1.00 0.00 H new ATOM 1418 N GLN A 84 16.109 8.133 -2.585 1.00 0.00 N ATOM 1419 CA GLN A 84 16.495 7.842 -1.206 1.00 0.00 C ATOM 1420 C GLN A 84 15.279 7.546 -0.337 1.00 0.00 C ATOM 1421 O GLN A 84 15.323 6.668 0.526 1.00 0.00 O ATOM 1422 CB GLN A 84 17.289 9.004 -0.609 1.00 0.00 C ATOM 1423 CG GLN A 84 18.678 9.165 -1.203 1.00 0.00 C ATOM 1424 CD GLN A 84 19.440 10.320 -0.590 1.00 0.00 C ATOM 1425 OE1 GLN A 84 18.854 11.320 -0.178 1.00 0.00 O ATOM 1426 NE2 GLN A 84 20.755 10.187 -0.518 1.00 0.00 N ATOM 0 H GLN A 84 16.385 9.059 -2.911 1.00 0.00 H new ATOM 0 HA GLN A 84 17.126 6.953 -1.226 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.731 9.928 -0.758 1.00 0.00 H new ATOM 0 HB3 GLN A 84 17.379 8.856 0.467 1.00 0.00 H new ATOM 0 HG2 GLN A 84 19.241 8.244 -1.056 1.00 0.00 H new ATOM 0 HG3 GLN A 84 18.594 9.319 -2.279 1.00 0.00 H new ATOM 0 HE21 GLN A 84 21.202 9.341 -0.871 1.00 0.00 H new ATOM 0 HE22 GLN A 84 21.321 10.930 -0.109 1.00 0.00 H new ATOM 1435 N ARG A 85 14.192 8.275 -0.556 1.00 0.00 N ATOM 1436 CA ARG A 85 12.977 8.040 0.210 1.00 0.00 C ATOM 1437 C ARG A 85 12.309 6.761 -0.269 1.00 0.00 C ATOM 1438 O ARG A 85 11.776 5.995 0.524 1.00 0.00 O ATOM 1439 CB ARG A 85 11.994 9.202 0.080 1.00 0.00 C ATOM 1440 CG ARG A 85 10.989 9.265 1.224 1.00 0.00 C ATOM 1441 CD ARG A 85 9.587 9.589 0.738 1.00 0.00 C ATOM 1442 NE ARG A 85 8.856 8.387 0.335 1.00 0.00 N ATOM 1443 CZ ARG A 85 8.182 8.266 -0.807 1.00 0.00 C ATOM 1444 NH1 ARG A 85 8.173 9.260 -1.688 1.00 0.00 N ATOM 1445 NH2 ARG A 85 7.510 7.152 -1.063 1.00 0.00 N ATOM 0 H ARG A 85 14.127 9.023 -1.247 1.00 0.00 H new ATOM 0 HA ARG A 85 13.258 7.948 1.259 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.551 10.138 0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.456 9.111 -0.864 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.978 8.310 1.749 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.306 10.020 1.943 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.038 10.099 1.529 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.645 10.278 -0.105 1.00 0.00 H new ATOM 0 HE ARG A 85 8.863 7.589 0.971 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.684 10.121 -1.491 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.655 9.163 -2.561 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.510 6.389 -0.386 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.993 7.058 -1.937 1.00 0.00 H new ATOM 1459 N ARG A 86 12.361 6.533 -1.575 1.00 0.00 N ATOM 1460 CA ARG A 86 11.736 5.362 -2.177 1.00 0.00 C ATOM 1461 C ARG A 86 12.472 4.087 -1.760 1.00 0.00 C ATOM 1462 O ARG A 86 11.858 3.035 -1.580 1.00 0.00 O ATOM 1463 CB ARG A 86 11.726 5.503 -3.699 1.00 0.00 C ATOM 1464 CG ARG A 86 10.688 4.635 -4.387 1.00 0.00 C ATOM 1465 CD ARG A 86 10.670 4.885 -5.885 1.00 0.00 C ATOM 1466 NE ARG A 86 9.551 4.211 -6.541 1.00 0.00 N ATOM 1467 CZ ARG A 86 9.563 3.812 -7.812 1.00 0.00 C ATOM 1468 NH1 ARG A 86 10.639 4.008 -8.566 1.00 0.00 N ATOM 1469 NH2 ARG A 86 8.500 3.215 -8.330 1.00 0.00 N ATOM 0 H ARG A 86 12.832 7.146 -2.240 1.00 0.00 H new ATOM 0 HA ARG A 86 10.707 5.291 -1.824 1.00 0.00 H new ATOM 0 HB2 ARG A 86 11.543 6.546 -3.957 1.00 0.00 H new ATOM 0 HB3 ARG A 86 12.713 5.248 -4.085 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.903 3.584 -4.193 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.703 4.841 -3.969 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.607 5.957 -6.073 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.607 4.539 -6.321 1.00 0.00 H new ATOM 0 HE ARG A 86 8.709 4.035 -5.992 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.461 4.466 -8.172 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.643 3.701 -9.539 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.671 3.060 -7.756 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.510 2.910 -9.303 1.00 0.00 H new ATOM 1483 N ASP A 87 13.788 4.191 -1.609 1.00 0.00 N ATOM 1484 CA ASP A 87 14.598 3.083 -1.108 1.00 0.00 C ATOM 1485 C ASP A 87 14.224 2.780 0.337 1.00 0.00 C ATOM 1486 O ASP A 87 14.158 1.623 0.748 1.00 0.00 O ATOM 1487 CB ASP A 87 16.088 3.422 -1.203 1.00 0.00 C ATOM 1488 CG ASP A 87 16.975 2.342 -0.612 1.00 0.00 C ATOM 1489 OD1 ASP A 87 17.322 1.385 -1.338 1.00 0.00 O ATOM 1490 OD2 ASP A 87 17.349 2.456 0.575 1.00 0.00 O ATOM 0 H ASP A 87 14.319 5.034 -1.827 1.00 0.00 H new ATOM 0 HA ASP A 87 14.403 2.203 -1.721 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.356 3.574 -2.249 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.276 4.363 -0.686 1.00 0.00 H new ATOM 1495 N GLN A 88 13.965 3.840 1.092 1.00 0.00 N ATOM 1496 CA GLN A 88 13.526 3.725 2.478 1.00 0.00 C ATOM 1497 C GLN A 88 12.224 2.924 2.565 1.00 0.00 C ATOM 1498 O GLN A 88 12.042 2.109 3.472 1.00 0.00 O ATOM 1499 CB GLN A 88 13.332 5.123 3.068 1.00 0.00 C ATOM 1500 CG GLN A 88 12.872 5.134 4.515 1.00 0.00 C ATOM 1501 CD GLN A 88 12.600 6.536 5.015 1.00 0.00 C ATOM 1502 OE1 GLN A 88 13.494 7.211 5.530 1.00 0.00 O ATOM 1503 NE2 GLN A 88 11.367 6.990 4.859 1.00 0.00 N ATOM 0 H GLN A 88 14.053 4.801 0.763 1.00 0.00 H new ATOM 0 HA GLN A 88 14.288 3.196 3.050 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.272 5.669 2.994 1.00 0.00 H new ATOM 0 HB3 GLN A 88 12.602 5.661 2.463 1.00 0.00 H new ATOM 0 HG2 GLN A 88 11.968 4.533 4.612 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.633 4.668 5.141 1.00 0.00 H new ATOM 0 HE21 GLN A 88 10.657 6.399 4.428 1.00 0.00 H new ATOM 0 HE22 GLN A 88 11.127 7.931 5.170 1.00 0.00 H new ATOM 1512 N GLU A 89 11.332 3.158 1.608 1.00 0.00 N ATOM 1513 CA GLU A 89 10.069 2.432 1.529 1.00 0.00 C ATOM 1514 C GLU A 89 10.337 0.947 1.313 1.00 0.00 C ATOM 1515 O GLU A 89 9.752 0.090 1.980 1.00 0.00 O ATOM 1516 CB GLU A 89 9.217 2.966 0.374 1.00 0.00 C ATOM 1517 CG GLU A 89 9.172 4.482 0.288 1.00 0.00 C ATOM 1518 CD GLU A 89 8.430 5.134 1.435 1.00 0.00 C ATOM 1519 OE1 GLU A 89 8.980 5.215 2.550 1.00 0.00 O ATOM 1520 OE2 GLU A 89 7.297 5.606 1.210 1.00 0.00 O ATOM 0 H GLU A 89 11.462 3.851 0.871 1.00 0.00 H new ATOM 0 HA GLU A 89 9.529 2.574 2.465 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.607 2.571 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.200 2.588 0.481 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.192 4.866 0.261 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.698 4.770 -0.650 1.00 0.00 H new ATOM 1527 N LEU A 90 11.236 0.654 0.378 1.00 0.00 N ATOM 1528 CA LEU A 90 11.614 -0.720 0.068 1.00 0.00 C ATOM 1529 C LEU A 90 12.297 -1.367 1.268 1.00 0.00 C ATOM 1530 O LEU A 90 12.089 -2.546 1.554 1.00 0.00 O ATOM 1531 CB LEU A 90 12.548 -0.753 -1.145 1.00 0.00 C ATOM 1532 CG LEU A 90 11.974 -0.152 -2.430 1.00 0.00 C ATOM 1533 CD1 LEU A 90 13.016 -0.172 -3.539 1.00 0.00 C ATOM 1534 CD2 LEU A 90 10.724 -0.906 -2.862 1.00 0.00 C ATOM 0 H LEU A 90 11.719 1.356 -0.182 1.00 0.00 H new ATOM 0 HA LEU A 90 10.710 -1.282 -0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 90 13.464 -0.219 -0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.826 -1.789 -1.341 1.00 0.00 H new ATOM 0 HG LEU A 90 11.700 0.884 -2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.591 0.259 -4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 90 13.885 0.411 -3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 90 13.320 -1.200 -3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.331 -0.464 -3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 90 10.974 -1.952 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.971 -0.843 -2.076 1.00 0.00 H new ATOM 1546 N LYS A 91 13.106 -0.578 1.964 1.00 0.00 N ATOM 1547 CA LYS A 91 13.767 -1.020 3.186 1.00 0.00 C ATOM 1548 C LYS A 91 12.743 -1.483 4.214 1.00 0.00 C ATOM 1549 O LYS A 91 12.891 -2.542 4.827 1.00 0.00 O ATOM 1550 CB LYS A 91 14.603 0.124 3.770 1.00 0.00 C ATOM 1551 CG LYS A 91 15.144 -0.157 5.162 1.00 0.00 C ATOM 1552 CD LYS A 91 15.850 1.057 5.740 1.00 0.00 C ATOM 1553 CE LYS A 91 16.246 0.835 7.191 1.00 0.00 C ATOM 1554 NZ LYS A 91 15.064 0.614 8.068 1.00 0.00 N ATOM 0 H LYS A 91 13.322 0.383 1.699 1.00 0.00 H new ATOM 0 HA LYS A 91 14.419 -1.858 2.941 1.00 0.00 H new ATOM 0 HB2 LYS A 91 15.439 0.329 3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.993 1.027 3.803 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.325 -0.450 5.819 1.00 0.00 H new ATOM 0 HG3 LYS A 91 15.837 -0.997 5.121 1.00 0.00 H new ATOM 0 HD2 LYS A 91 16.739 1.277 5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 91 15.197 1.927 5.669 1.00 0.00 H new ATOM 0 HE2 LYS A 91 16.911 -0.026 7.257 1.00 0.00 H new ATOM 0 HE3 LYS A 91 16.806 1.699 7.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.334 0.770 9.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.308 1.279 7.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.723 -0.361 7.951 1.00 0.00 H new ATOM 1568 N GLU A 92 11.699 -0.686 4.391 1.00 0.00 N ATOM 1569 CA GLU A 92 10.663 -0.994 5.358 1.00 0.00 C ATOM 1570 C GLU A 92 9.832 -2.181 4.883 1.00 0.00 C ATOM 1571 O GLU A 92 9.414 -3.016 5.681 1.00 0.00 O ATOM 1572 CB GLU A 92 9.772 0.228 5.584 1.00 0.00 C ATOM 1573 CG GLU A 92 9.015 0.188 6.899 1.00 0.00 C ATOM 1574 CD GLU A 92 9.947 0.108 8.090 1.00 0.00 C ATOM 1575 OE1 GLU A 92 10.570 1.134 8.432 1.00 0.00 O ATOM 1576 OE2 GLU A 92 10.056 -0.977 8.695 1.00 0.00 O ATOM 0 H GLU A 92 11.550 0.181 3.874 1.00 0.00 H new ATOM 0 HA GLU A 92 11.134 -1.260 6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.387 1.127 5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.058 0.304 4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.392 1.078 6.986 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.345 -0.672 6.905 1.00 0.00 H new ATOM 1583 N PHE A 93 9.609 -2.250 3.575 1.00 0.00 N ATOM 1584 CA PHE A 93 8.860 -3.350 2.976 1.00 0.00 C ATOM 1585 C PHE A 93 9.601 -4.674 3.130 1.00 0.00 C ATOM 1586 O PHE A 93 9.015 -5.680 3.529 1.00 0.00 O ATOM 1587 CB PHE A 93 8.591 -3.067 1.492 1.00 0.00 C ATOM 1588 CG PHE A 93 7.977 -4.226 0.755 1.00 0.00 C ATOM 1589 CD1 PHE A 93 6.725 -4.706 1.106 1.00 0.00 C ATOM 1590 CD2 PHE A 93 8.655 -4.836 -0.288 1.00 0.00 C ATOM 1591 CE1 PHE A 93 6.163 -5.774 0.431 1.00 0.00 C ATOM 1592 CE2 PHE A 93 8.097 -5.903 -0.968 1.00 0.00 C ATOM 1593 CZ PHE A 93 6.850 -6.373 -0.606 1.00 0.00 C ATOM 0 H PHE A 93 9.938 -1.554 2.906 1.00 0.00 H new ATOM 0 HA PHE A 93 7.909 -3.431 3.502 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.929 -2.205 1.410 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.529 -2.796 1.007 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.182 -4.241 1.916 1.00 0.00 H new ATOM 0 HD2 PHE A 93 9.632 -4.474 -0.574 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.187 -6.139 0.715 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.635 -6.368 -1.781 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.413 -7.208 -1.133 1.00 0.00 H new ATOM 1603 N LYS A 94 10.892 -4.665 2.831 1.00 0.00 N ATOM 1604 CA LYS A 94 11.695 -5.881 2.877 1.00 0.00 C ATOM 1605 C LYS A 94 11.895 -6.328 4.326 1.00 0.00 C ATOM 1606 O LYS A 94 12.177 -7.494 4.601 1.00 0.00 O ATOM 1607 CB LYS A 94 13.038 -5.645 2.170 1.00 0.00 C ATOM 1608 CG LYS A 94 13.677 -6.909 1.604 1.00 0.00 C ATOM 1609 CD LYS A 94 14.457 -7.680 2.651 1.00 0.00 C ATOM 1610 CE LYS A 94 14.998 -8.984 2.089 1.00 0.00 C ATOM 1611 NZ LYS A 94 13.921 -9.979 1.825 1.00 0.00 N ATOM 0 H LYS A 94 11.407 -3.829 2.554 1.00 0.00 H new ATOM 0 HA LYS A 94 11.172 -6.681 2.353 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.889 -4.932 1.359 1.00 0.00 H new ATOM 0 HB3 LYS A 94 13.731 -5.185 2.875 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.900 -7.551 1.188 1.00 0.00 H new ATOM 0 HG3 LYS A 94 14.342 -6.641 0.783 1.00 0.00 H new ATOM 0 HD2 LYS A 94 15.283 -7.069 3.016 1.00 0.00 H new ATOM 0 HD3 LYS A 94 13.814 -7.889 3.506 1.00 0.00 H new ATOM 0 HE2 LYS A 94 15.537 -8.782 1.163 1.00 0.00 H new ATOM 0 HE3 LYS A 94 15.717 -9.408 2.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.347 -10.906 1.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.306 -10.055 2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.357 -9.671 1.007 1.00 0.00 H new ATOM 1625 N ALA A 95 11.724 -5.399 5.255 1.00 0.00 N ATOM 1626 CA ALA A 95 11.803 -5.719 6.672 1.00 0.00 C ATOM 1627 C ALA A 95 10.414 -6.007 7.232 1.00 0.00 C ATOM 1628 O ALA A 95 10.248 -6.221 8.431 1.00 0.00 O ATOM 1629 CB ALA A 95 12.461 -4.584 7.440 1.00 0.00 C ATOM 0 H ALA A 95 11.530 -4.418 5.053 1.00 0.00 H new ATOM 0 HA ALA A 95 12.415 -6.613 6.789 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.511 -4.842 8.498 1.00 0.00 H new ATOM 0 HB2 ALA A 95 13.469 -4.422 7.058 1.00 0.00 H new ATOM 0 HB3 ALA A 95 11.875 -3.673 7.316 1.00 0.00 H new ATOM 1635 N GLY A 96 9.419 -6.016 6.353 1.00 0.00 N ATOM 1636 CA GLY A 96 8.054 -6.238 6.778 1.00 0.00 C ATOM 1637 C GLY A 96 7.254 -4.955 6.813 1.00 0.00 C ATOM 1638 O GLY A 96 7.203 -4.273 7.839 1.00 0.00 O ATOM 0 H GLY A 96 9.536 -5.873 5.350 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.575 -6.945 6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.052 -6.693 7.769 1.00 0.00 H new ATOM 1642 N PHE A 97 6.629 -4.624 5.694 1.00 0.00 N ATOM 1643 CA PHE A 97 5.850 -3.400 5.579 1.00 0.00 C ATOM 1644 C PHE A 97 4.489 -3.584 6.246 1.00 0.00 C ATOM 1645 O PHE A 97 3.890 -4.654 6.149 1.00 0.00 O ATOM 1646 CB PHE A 97 5.681 -3.030 4.104 1.00 0.00 C ATOM 1647 CG PHE A 97 5.336 -1.588 3.866 1.00 0.00 C ATOM 1648 CD1 PHE A 97 6.282 -0.597 4.073 1.00 0.00 C ATOM 1649 CD2 PHE A 97 4.076 -1.224 3.424 1.00 0.00 C ATOM 1650 CE1 PHE A 97 5.978 0.730 3.847 1.00 0.00 C ATOM 1651 CE2 PHE A 97 3.764 0.103 3.197 1.00 0.00 C ATOM 1652 CZ PHE A 97 4.716 1.081 3.407 1.00 0.00 C ATOM 0 H PHE A 97 6.646 -5.191 4.846 1.00 0.00 H new ATOM 0 HA PHE A 97 6.376 -2.589 6.084 1.00 0.00 H new ATOM 0 HB2 PHE A 97 6.605 -3.263 3.575 1.00 0.00 H new ATOM 0 HB3 PHE A 97 4.900 -3.655 3.672 1.00 0.00 H new ATOM 0 HD1 PHE A 97 7.270 -0.867 4.416 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.329 -1.985 3.255 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.725 1.492 4.014 1.00 0.00 H new ATOM 0 HE2 PHE A 97 2.776 0.375 2.856 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.475 2.118 3.228 1.00 0.00 H new ATOM 1662 N LEU A 98 4.011 -2.546 6.922 1.00 0.00 N ATOM 1663 CA LEU A 98 2.762 -2.633 7.671 1.00 0.00 C ATOM 1664 C LEU A 98 1.553 -2.634 6.737 1.00 0.00 C ATOM 1665 O LEU A 98 1.067 -1.577 6.322 1.00 0.00 O ATOM 1666 CB LEU A 98 2.648 -1.479 8.670 1.00 0.00 C ATOM 1667 CG LEU A 98 1.481 -1.590 9.653 1.00 0.00 C ATOM 1668 CD1 LEU A 98 1.684 -2.767 10.594 1.00 0.00 C ATOM 1669 CD2 LEU A 98 1.318 -0.299 10.438 1.00 0.00 C ATOM 0 H LEU A 98 4.468 -1.635 6.967 1.00 0.00 H new ATOM 0 HA LEU A 98 2.773 -3.576 8.218 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.577 -1.416 9.237 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.549 -0.546 8.115 1.00 0.00 H new ATOM 0 HG LEU A 98 0.568 -1.761 9.083 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.844 -2.829 11.285 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.747 -3.689 10.016 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.607 -2.628 11.157 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.483 -0.398 11.132 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.232 -0.095 10.997 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.122 0.523 9.750 1.00 0.00 H new ATOM 1681 N CYS A 99 1.102 -3.825 6.382 1.00 0.00 N ATOM 1682 CA CYS A 99 -0.055 -3.994 5.518 1.00 0.00 C ATOM 1683 C CYS A 99 -1.058 -4.950 6.161 1.00 0.00 C ATOM 1684 O CYS A 99 -0.697 -5.724 7.046 1.00 0.00 O ATOM 1685 CB CYS A 99 0.383 -4.519 4.150 1.00 0.00 C ATOM 1686 SG CYS A 99 1.557 -3.443 3.297 1.00 0.00 S ATOM 0 H CYS A 99 1.527 -4.702 6.684 1.00 0.00 H new ATOM 0 HA CYS A 99 -0.538 -3.026 5.381 1.00 0.00 H new ATOM 0 HB2 CYS A 99 0.833 -5.504 4.276 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -0.498 -4.649 3.522 1.00 0.00 H new ATOM 0 HG CYS A 99 1.692 -2.334 3.962 1.00 0.00 H new ATOM 1692 N PRO A 100 -2.328 -4.902 5.741 1.00 0.00 N ATOM 1693 CA PRO A 100 -3.350 -5.833 6.221 1.00 0.00 C ATOM 1694 C PRO A 100 -3.088 -7.254 5.726 1.00 0.00 C ATOM 1695 O PRO A 100 -2.560 -7.445 4.630 1.00 0.00 O ATOM 1696 CB PRO A 100 -4.659 -5.293 5.618 1.00 0.00 C ATOM 1697 CG PRO A 100 -4.337 -3.922 5.129 1.00 0.00 C ATOM 1698 CD PRO A 100 -2.880 -3.940 4.778 1.00 0.00 C ATOM 0 HA PRO A 100 -3.370 -5.892 7.309 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.007 -5.928 4.804 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.453 -5.267 6.364 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -4.944 -3.665 4.261 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -4.544 -3.176 5.896 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.715 -4.258 3.748 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.426 -2.955 4.884 1.00 0.00 H new ATOM 1706 N ASP A 101 -3.448 -8.249 6.542 1.00 0.00 N ATOM 1707 CA ASP A 101 -3.325 -9.657 6.153 1.00 0.00 C ATOM 1708 C ASP A 101 -4.024 -9.899 4.824 1.00 0.00 C ATOM 1709 O ASP A 101 -3.582 -10.716 4.014 1.00 0.00 O ATOM 1710 CB ASP A 101 -3.959 -10.577 7.204 1.00 0.00 C ATOM 1711 CG ASP A 101 -3.366 -10.410 8.585 1.00 0.00 C ATOM 1712 OD1 ASP A 101 -3.629 -9.368 9.214 1.00 0.00 O ATOM 1713 OD2 ASP A 101 -2.652 -11.327 9.056 1.00 0.00 O ATOM 0 H ASP A 101 -3.828 -8.105 7.478 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.262 -9.881 6.068 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.030 -10.379 7.250 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.839 -11.613 6.888 1.00 0.00 H new ATOM 1718 N LEU A 102 -5.146 -9.192 4.645 1.00 0.00 N ATOM 1719 CA LEU A 102 -5.972 -9.259 3.436 1.00 0.00 C ATOM 1720 C LEU A 102 -6.728 -10.574 3.319 1.00 0.00 C ATOM 1721 O LEU A 102 -7.793 -10.610 2.722 1.00 0.00 O ATOM 1722 CB LEU A 102 -5.154 -9.022 2.166 1.00 0.00 C ATOM 1723 CG LEU A 102 -4.706 -7.582 1.931 1.00 0.00 C ATOM 1724 CD1 LEU A 102 -4.109 -7.455 0.543 1.00 0.00 C ATOM 1725 CD2 LEU A 102 -5.872 -6.618 2.105 1.00 0.00 C ATOM 0 H LEU A 102 -5.510 -8.548 5.347 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.701 -8.455 3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.269 -9.658 2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.745 -9.345 1.309 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.947 -7.323 2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -3.790 -6.426 0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -3.250 -8.120 0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.857 -7.727 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.529 -5.598 1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.657 -6.863 1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.266 -6.702 3.118 1.00 0.00 H new ATOM 1737 N SER A 103 -6.195 -11.633 3.912 1.00 0.00 N ATOM 1738 CA SER A 103 -6.780 -12.959 3.798 1.00 0.00 C ATOM 1739 C SER A 103 -7.860 -13.166 4.853 1.00 0.00 C ATOM 1740 O SER A 103 -8.272 -14.293 5.129 1.00 0.00 O ATOM 1741 CB SER A 103 -5.686 -14.016 3.939 1.00 0.00 C ATOM 1742 OG SER A 103 -4.640 -13.788 3.005 1.00 0.00 O ATOM 0 H SER A 103 -5.350 -11.597 4.482 1.00 0.00 H new ATOM 0 HA SER A 103 -7.246 -13.055 2.817 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.285 -13.998 4.952 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.110 -15.008 3.782 1.00 0.00 H new ATOM 0 HG SER A 103 -3.949 -14.475 3.113 1.00 0.00 H new ATOM 1748 N ASP A 104 -8.332 -12.069 5.424 1.00 0.00 N ATOM 1749 CA ASP A 104 -9.360 -12.129 6.441 1.00 0.00 C ATOM 1750 C ASP A 104 -10.526 -11.222 6.066 1.00 0.00 C ATOM 1751 O ASP A 104 -10.321 -10.091 5.618 1.00 0.00 O ATOM 1752 CB ASP A 104 -8.795 -11.736 7.804 1.00 0.00 C ATOM 1753 CG ASP A 104 -9.838 -11.824 8.894 1.00 0.00 C ATOM 1754 OD1 ASP A 104 -10.093 -12.940 9.391 1.00 0.00 O ATOM 1755 OD2 ASP A 104 -10.420 -10.784 9.246 1.00 0.00 O ATOM 0 H ASP A 104 -8.016 -11.126 5.197 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.722 -13.155 6.505 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -7.957 -12.387 8.051 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.405 -10.719 7.756 1.00 0.00 H new ATOM 1760 N ALA A 105 -11.742 -11.720 6.252 1.00 0.00 N ATOM 1761 CA ALA A 105 -12.944 -11.007 5.831 1.00 0.00 C ATOM 1762 C ALA A 105 -13.285 -9.863 6.776 1.00 0.00 C ATOM 1763 O ALA A 105 -13.848 -8.854 6.357 1.00 0.00 O ATOM 1764 CB ALA A 105 -14.118 -11.972 5.725 1.00 0.00 C ATOM 0 H ALA A 105 -11.923 -12.621 6.695 1.00 0.00 H new ATOM 0 HA ALA A 105 -12.744 -10.574 4.851 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -15.009 -11.428 5.410 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -13.888 -12.746 4.993 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -14.299 -12.433 6.696 1.00 0.00 H new ATOM 1770 N LYS A 106 -12.941 -10.014 8.047 1.00 0.00 N ATOM 1771 CA LYS A 106 -13.203 -8.965 9.020 1.00 0.00 C ATOM 1772 C LYS A 106 -12.149 -7.879 8.901 1.00 0.00 C ATOM 1773 O LYS A 106 -12.430 -6.701 9.117 1.00 0.00 O ATOM 1774 CB LYS A 106 -13.255 -9.535 10.437 1.00 0.00 C ATOM 1775 CG LYS A 106 -14.509 -10.354 10.695 1.00 0.00 C ATOM 1776 CD LYS A 106 -15.754 -9.491 10.562 1.00 0.00 C ATOM 1777 CE LYS A 106 -17.026 -10.321 10.538 1.00 0.00 C ATOM 1778 NZ LYS A 106 -17.178 -11.158 11.756 1.00 0.00 N ATOM 0 H LYS A 106 -12.484 -10.844 8.425 1.00 0.00 H new ATOM 0 HA LYS A 106 -14.178 -8.525 8.811 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.377 -10.159 10.605 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.207 -8.717 11.155 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -14.559 -11.183 9.989 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -14.467 -10.788 11.694 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -15.797 -8.787 11.393 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -15.689 -8.901 9.648 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -17.887 -9.659 10.445 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -17.021 -10.963 9.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -18.106 -11.627 11.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -16.427 -11.877 11.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -17.108 -10.557 12.602 1.00 0.00 H new ATOM 1792 N ASN A 107 -10.940 -8.285 8.546 1.00 0.00 N ATOM 1793 CA ASN A 107 -9.890 -7.343 8.199 1.00 0.00 C ATOM 1794 C ASN A 107 -10.360 -6.483 7.030 1.00 0.00 C ATOM 1795 O ASN A 107 -10.312 -5.255 7.090 1.00 0.00 O ATOM 1796 CB ASN A 107 -8.601 -8.090 7.836 1.00 0.00 C ATOM 1797 CG ASN A 107 -7.380 -7.188 7.800 1.00 0.00 C ATOM 1798 OD1 ASN A 107 -7.464 -6.007 7.483 1.00 0.00 O ATOM 1799 ND2 ASN A 107 -6.227 -7.745 8.135 1.00 0.00 N ATOM 0 H ASN A 107 -10.662 -9.265 8.491 1.00 0.00 H new ATOM 0 HA ASN A 107 -9.677 -6.703 9.055 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -8.435 -8.888 8.560 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -8.724 -8.563 6.862 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -5.372 -7.188 8.135 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.193 -8.731 8.394 1.00 0.00 H new ATOM 1806 N MET A 108 -10.842 -7.140 5.975 1.00 0.00 N ATOM 1807 CA MET A 108 -11.409 -6.433 4.833 1.00 0.00 C ATOM 1808 C MET A 108 -12.636 -5.609 5.241 1.00 0.00 C ATOM 1809 O MET A 108 -12.917 -4.570 4.652 1.00 0.00 O ATOM 1810 CB MET A 108 -11.774 -7.423 3.722 1.00 0.00 C ATOM 1811 CG MET A 108 -12.398 -6.769 2.496 1.00 0.00 C ATOM 1812 SD MET A 108 -11.372 -5.459 1.802 1.00 0.00 S ATOM 1813 CE MET A 108 -9.896 -6.373 1.361 1.00 0.00 C ATOM 0 H MET A 108 -10.850 -8.156 5.890 1.00 0.00 H new ATOM 0 HA MET A 108 -10.654 -5.743 4.456 1.00 0.00 H new ATOM 0 HB2 MET A 108 -10.876 -7.961 3.418 1.00 0.00 H new ATOM 0 HB3 MET A 108 -12.468 -8.162 4.121 1.00 0.00 H new ATOM 0 HG2 MET A 108 -12.573 -7.529 1.734 1.00 0.00 H new ATOM 0 HG3 MET A 108 -13.371 -6.358 2.765 1.00 0.00 H new ATOM 0 HE1 MET A 108 -9.266 -5.759 0.718 1.00 0.00 H new ATOM 0 HE2 MET A 108 -9.346 -6.634 2.265 1.00 0.00 H new ATOM 0 HE3 MET A 108 -10.176 -7.283 0.831 1.00 0.00 H new ATOM 1823 N GLU A 109 -13.367 -6.070 6.253 1.00 0.00 N ATOM 1824 CA GLU A 109 -14.527 -5.333 6.745 1.00 0.00 C ATOM 1825 C GLU A 109 -14.099 -3.999 7.349 1.00 0.00 C ATOM 1826 O GLU A 109 -14.621 -2.948 6.976 1.00 0.00 O ATOM 1827 CB GLU A 109 -15.295 -6.146 7.786 1.00 0.00 C ATOM 1828 CG GLU A 109 -16.546 -5.444 8.280 1.00 0.00 C ATOM 1829 CD GLU A 109 -17.247 -6.199 9.385 1.00 0.00 C ATOM 1830 OE1 GLU A 109 -17.861 -7.245 9.096 1.00 0.00 O ATOM 1831 OE2 GLU A 109 -17.194 -5.742 10.546 1.00 0.00 O ATOM 0 H GLU A 109 -13.179 -6.944 6.745 1.00 0.00 H new ATOM 0 HA GLU A 109 -15.184 -5.146 5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -15.571 -7.109 7.356 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -14.641 -6.351 8.634 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -16.281 -4.449 8.638 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -17.234 -5.309 7.446 1.00 0.00 H new ATOM 1838 N PHE A 110 -13.147 -4.051 8.276 1.00 0.00 N ATOM 1839 CA PHE A 110 -12.595 -2.844 8.884 1.00 0.00 C ATOM 1840 C PHE A 110 -12.007 -1.927 7.819 1.00 0.00 C ATOM 1841 O PHE A 110 -12.160 -0.710 7.878 1.00 0.00 O ATOM 1842 CB PHE A 110 -11.509 -3.197 9.903 1.00 0.00 C ATOM 1843 CG PHE A 110 -12.019 -3.562 11.267 1.00 0.00 C ATOM 1844 CD1 PHE A 110 -12.498 -4.833 11.534 1.00 0.00 C ATOM 1845 CD2 PHE A 110 -12.004 -2.626 12.288 1.00 0.00 C ATOM 1846 CE1 PHE A 110 -12.954 -5.166 12.794 1.00 0.00 C ATOM 1847 CE2 PHE A 110 -12.460 -2.951 13.551 1.00 0.00 C ATOM 1848 CZ PHE A 110 -12.936 -4.223 13.805 1.00 0.00 C ATOM 0 H PHE A 110 -12.740 -4.919 8.624 1.00 0.00 H new ATOM 0 HA PHE A 110 -13.408 -2.328 9.394 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -10.923 -4.030 9.515 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -10.831 -2.349 9.999 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -12.515 -5.573 10.747 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -11.632 -1.631 12.095 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -13.324 -6.162 12.990 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -12.444 -2.212 14.338 1.00 0.00 H new ATOM 0 HZ PHE A 110 -13.293 -4.480 14.791 1.00 0.00 H new ATOM 1858 N LEU A 111 -11.343 -2.535 6.845 1.00 0.00 N ATOM 1859 CA LEU A 111 -10.714 -1.806 5.753 1.00 0.00 C ATOM 1860 C LEU A 111 -11.770 -1.136 4.867 1.00 0.00 C ATOM 1861 O LEU A 111 -11.584 -0.014 4.399 1.00 0.00 O ATOM 1862 CB LEU A 111 -9.842 -2.784 4.949 1.00 0.00 C ATOM 1863 CG LEU A 111 -8.936 -2.171 3.881 1.00 0.00 C ATOM 1864 CD1 LEU A 111 -7.704 -3.036 3.690 1.00 0.00 C ATOM 1865 CD2 LEU A 111 -9.674 -2.033 2.563 1.00 0.00 C ATOM 0 H LEU A 111 -11.226 -3.547 6.790 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.085 -1.011 6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.217 -3.338 5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.498 -3.508 4.465 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.635 -1.178 4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.063 -2.593 2.928 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.157 -3.102 4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.006 -4.035 3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.010 -1.595 1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.001 -3.016 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.543 -1.389 2.698 1.00 0.00 H new ATOM 1877 N ARG A 112 -12.881 -1.827 4.657 1.00 0.00 N ATOM 1878 CA ARG A 112 -13.976 -1.305 3.847 1.00 0.00 C ATOM 1879 C ARG A 112 -14.730 -0.193 4.577 1.00 0.00 C ATOM 1880 O ARG A 112 -15.085 0.825 3.982 1.00 0.00 O ATOM 1881 CB ARG A 112 -14.930 -2.444 3.472 1.00 0.00 C ATOM 1882 CG ARG A 112 -16.282 -1.979 2.956 1.00 0.00 C ATOM 1883 CD ARG A 112 -17.174 -3.154 2.587 1.00 0.00 C ATOM 1884 NE ARG A 112 -17.193 -4.189 3.626 1.00 0.00 N ATOM 1885 CZ ARG A 112 -18.154 -4.315 4.543 1.00 0.00 C ATOM 1886 NH1 ARG A 112 -19.108 -3.401 4.646 1.00 0.00 N ATOM 1887 NH2 ARG A 112 -18.142 -5.345 5.384 1.00 0.00 N ATOM 0 H ARG A 112 -13.050 -2.758 5.039 1.00 0.00 H new ATOM 0 HA ARG A 112 -13.555 -0.874 2.939 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -14.457 -3.064 2.711 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -15.085 -3.076 4.346 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -16.774 -1.373 3.717 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -16.140 -1.341 2.084 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -18.189 -2.796 2.416 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -16.827 -3.590 1.650 1.00 0.00 H new ATOM 0 HE ARG A 112 -16.421 -4.856 3.649 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -19.111 -2.594 4.022 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -19.839 -3.504 5.349 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -17.397 -6.040 5.329 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -18.877 -5.440 6.085 1.00 0.00 H new ATOM 1901 N ASN A 113 -14.961 -0.382 5.870 1.00 0.00 N ATOM 1902 CA ASN A 113 -15.729 0.578 6.661 1.00 0.00 C ATOM 1903 C ASN A 113 -14.816 1.682 7.200 1.00 0.00 C ATOM 1904 O ASN A 113 -15.236 2.534 7.990 1.00 0.00 O ATOM 1905 CB ASN A 113 -16.446 -0.145 7.812 1.00 0.00 C ATOM 1906 CG ASN A 113 -17.450 0.738 8.537 1.00 0.00 C ATOM 1907 OD1 ASN A 113 -18.026 1.658 7.954 1.00 0.00 O ATOM 1908 ND2 ASN A 113 -17.672 0.461 9.812 1.00 0.00 N ATOM 0 H ASN A 113 -14.629 -1.191 6.396 1.00 0.00 H new ATOM 0 HA ASN A 113 -16.479 1.042 6.020 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -16.960 -1.022 7.418 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -15.705 -0.504 8.526 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -18.339 1.018 10.346 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -17.176 -0.309 10.261 1.00 0.00 H new ATOM 1915 N TRP A 114 -13.573 1.675 6.745 1.00 0.00 N ATOM 1916 CA TRP A 114 -12.583 2.654 7.168 1.00 0.00 C ATOM 1917 C TRP A 114 -12.933 4.047 6.636 1.00 0.00 C ATOM 1918 O TRP A 114 -13.430 4.193 5.517 1.00 0.00 O ATOM 1919 CB TRP A 114 -11.200 2.215 6.677 1.00 0.00 C ATOM 1920 CG TRP A 114 -10.078 3.107 7.106 1.00 0.00 C ATOM 1921 CD1 TRP A 114 -9.476 3.145 8.331 1.00 0.00 C ATOM 1922 CD2 TRP A 114 -9.407 4.078 6.298 1.00 0.00 C ATOM 1923 NE1 TRP A 114 -8.478 4.089 8.336 1.00 0.00 N ATOM 1924 CE2 TRP A 114 -8.417 4.673 7.098 1.00 0.00 C ATOM 1925 CE3 TRP A 114 -9.552 4.504 4.975 1.00 0.00 C ATOM 1926 CZ2 TRP A 114 -7.575 5.669 6.618 1.00 0.00 C ATOM 1927 CZ3 TRP A 114 -8.717 5.494 4.501 1.00 0.00 C ATOM 1928 CH2 TRP A 114 -7.739 6.067 5.320 1.00 0.00 C ATOM 0 H TRP A 114 -13.222 0.992 6.073 1.00 0.00 H new ATOM 0 HA TRP A 114 -12.576 2.711 8.257 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -11.004 1.206 7.038 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -11.213 2.167 5.588 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -9.745 2.524 9.173 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -7.881 4.318 9.131 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -10.304 4.066 4.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -6.818 6.113 7.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -8.820 5.832 3.481 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -7.100 6.840 4.919 1.00 0.00 H new ATOM 1939 N ASN A 115 -12.701 5.062 7.454 1.00 0.00 N ATOM 1940 CA ASN A 115 -12.965 6.443 7.066 1.00 0.00 C ATOM 1941 C ASN A 115 -11.717 7.284 7.305 1.00 0.00 C ATOM 1942 O ASN A 115 -10.651 6.740 7.592 1.00 0.00 O ATOM 1943 CB ASN A 115 -14.157 7.014 7.851 1.00 0.00 C ATOM 1944 CG ASN A 115 -13.869 7.203 9.332 1.00 0.00 C ATOM 1945 OD1 ASN A 115 -13.071 6.481 9.924 1.00 0.00 O ATOM 1946 ND2 ASN A 115 -14.523 8.179 9.942 1.00 0.00 N ATOM 0 H ASN A 115 -12.328 4.956 8.397 1.00 0.00 H new ATOM 0 HA ASN A 115 -13.220 6.470 6.007 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -14.442 7.973 7.418 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -15.011 6.347 7.737 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -14.371 8.351 10.936 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -15.178 8.759 9.418 1.00 0.00 H new ATOM 1953 N GLY A 116 -11.842 8.601 7.195 1.00 0.00 N ATOM 1954 CA GLY A 116 -10.701 9.477 7.393 1.00 0.00 C ATOM 1955 C GLY A 116 -10.294 9.597 8.854 1.00 0.00 C ATOM 1956 O GLY A 116 -10.345 10.683 9.431 1.00 0.00 O ATOM 0 H GLY A 116 -12.715 9.080 6.972 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.856 9.102 6.815 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -10.938 10.467 7.004 1.00 0.00 H new ATOM 1960 N THR A 117 -9.897 8.482 9.444 1.00 0.00 N ATOM 1961 CA THR A 117 -9.456 8.456 10.825 1.00 0.00 C ATOM 1962 C THR A 117 -8.136 7.704 10.941 1.00 0.00 C ATOM 1963 O THR A 117 -8.096 6.476 10.851 1.00 0.00 O ATOM 1964 CB THR A 117 -10.507 7.790 11.735 1.00 0.00 C ATOM 1965 OG1 THR A 117 -11.800 8.352 11.483 1.00 0.00 O ATOM 1966 CG2 THR A 117 -10.152 7.974 13.204 1.00 0.00 C ATOM 0 H THR A 117 -9.872 7.574 8.980 1.00 0.00 H new ATOM 0 HA THR A 117 -9.320 9.488 11.150 1.00 0.00 H new ATOM 0 HB THR A 117 -10.521 6.723 11.511 1.00 0.00 H new ATOM 0 HG1 THR A 117 -12.374 7.677 11.064 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.910 7.495 13.824 1.00 0.00 H new ATOM 0 HG22 THR A 117 -9.181 7.521 13.403 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.111 9.038 13.438 1.00 0.00 H new ATOM 1974 N PHE A 118 -7.054 8.446 11.133 1.00 0.00 N ATOM 1975 CA PHE A 118 -5.723 7.855 11.232 1.00 0.00 C ATOM 1976 C PHE A 118 -5.560 7.060 12.526 1.00 0.00 C ATOM 1977 O PHE A 118 -4.649 6.240 12.652 1.00 0.00 O ATOM 1978 CB PHE A 118 -4.640 8.937 11.110 1.00 0.00 C ATOM 1979 CG PHE A 118 -4.923 10.191 11.893 1.00 0.00 C ATOM 1980 CD1 PHE A 118 -4.501 10.319 13.205 1.00 0.00 C ATOM 1981 CD2 PHE A 118 -5.608 11.245 11.308 1.00 0.00 C ATOM 1982 CE1 PHE A 118 -4.756 11.474 13.919 1.00 0.00 C ATOM 1983 CE2 PHE A 118 -5.866 12.402 12.018 1.00 0.00 C ATOM 1984 CZ PHE A 118 -5.440 12.515 13.326 1.00 0.00 C ATOM 0 H PHE A 118 -7.070 9.462 11.224 1.00 0.00 H new ATOM 0 HA PHE A 118 -5.605 7.157 10.403 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -3.689 8.521 11.444 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -4.522 9.199 10.058 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -3.967 9.507 13.676 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -5.944 11.161 10.285 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -4.420 11.562 14.942 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -6.400 13.216 11.550 1.00 0.00 H new ATOM 0 HZ PHE A 118 -5.642 13.417 13.884 1.00 0.00 H new ATOM 1994 N GLY A 119 -6.456 7.289 13.481 1.00 0.00 N ATOM 1995 CA GLY A 119 -6.432 6.537 14.722 1.00 0.00 C ATOM 1996 C GLY A 119 -6.931 5.113 14.544 1.00 0.00 C ATOM 1997 O GLY A 119 -6.789 4.278 15.438 1.00 0.00 O ATOM 0 H GLY A 119 -7.200 7.984 13.417 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -5.414 6.517 15.112 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -7.048 7.045 15.464 1.00 0.00 H new ATOM 2001 N LEU A 120 -7.504 4.831 13.379 1.00 0.00 N ATOM 2002 CA LEU A 120 -8.026 3.502 13.087 1.00 0.00 C ATOM 2003 C LEU A 120 -6.932 2.566 12.592 1.00 0.00 C ATOM 2004 O LEU A 120 -7.185 1.396 12.327 1.00 0.00 O ATOM 2005 CB LEU A 120 -9.151 3.571 12.052 1.00 0.00 C ATOM 2006 CG LEU A 120 -10.445 4.220 12.538 1.00 0.00 C ATOM 2007 CD1 LEU A 120 -11.501 4.178 11.446 1.00 0.00 C ATOM 2008 CD2 LEU A 120 -10.947 3.524 13.793 1.00 0.00 C ATOM 0 H LEU A 120 -7.619 5.505 12.622 1.00 0.00 H new ATOM 0 HA LEU A 120 -8.424 3.103 14.020 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.791 4.123 11.184 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.375 2.559 11.715 1.00 0.00 H new ATOM 0 HG LEU A 120 -10.241 5.263 12.780 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -12.417 4.644 11.808 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -11.140 4.718 10.570 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -11.704 3.142 11.175 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -11.870 3.998 14.127 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -11.137 2.473 13.575 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.194 3.601 14.578 1.00 0.00 H new ATOM 2020 N LEU A 121 -5.711 3.067 12.478 1.00 0.00 N ATOM 2021 CA LEU A 121 -4.600 2.228 12.049 1.00 0.00 C ATOM 2022 C LEU A 121 -4.114 1.361 13.203 1.00 0.00 C ATOM 2023 O LEU A 121 -3.340 0.423 13.013 1.00 0.00 O ATOM 2024 CB LEU A 121 -3.457 3.074 11.492 1.00 0.00 C ATOM 2025 CG LEU A 121 -3.803 3.876 10.238 1.00 0.00 C ATOM 2026 CD1 LEU A 121 -2.570 4.564 9.691 1.00 0.00 C ATOM 2027 CD2 LEU A 121 -4.422 2.981 9.178 1.00 0.00 C ATOM 0 H LEU A 121 -5.465 4.037 12.673 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.954 1.577 11.250 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.124 3.764 12.267 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.616 2.419 11.266 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.533 4.637 10.513 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.835 5.130 8.798 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.167 5.241 10.444 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -1.819 3.816 9.436 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.660 3.574 8.295 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.717 2.195 8.908 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.334 2.531 9.569 1.00 0.00 H new ATOM 2039 N ASN A 122 -4.577 1.684 14.401 1.00 0.00 N ATOM 2040 CA ASN A 122 -4.279 0.881 15.579 1.00 0.00 C ATOM 2041 C ASN A 122 -5.400 -0.128 15.820 1.00 0.00 C ATOM 2042 O ASN A 122 -5.187 -1.180 16.423 1.00 0.00 O ATOM 2043 CB ASN A 122 -4.078 1.782 16.803 1.00 0.00 C ATOM 2044 CG ASN A 122 -3.856 1.000 18.086 1.00 0.00 C ATOM 2045 OD1 ASN A 122 -2.734 0.598 18.402 1.00 0.00 O ATOM 2046 ND2 ASN A 122 -4.921 0.811 18.854 1.00 0.00 N ATOM 0 H ASN A 122 -5.162 2.499 14.584 1.00 0.00 H new ATOM 0 HA ASN A 122 -3.353 0.332 15.410 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -3.223 2.435 16.630 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -4.951 2.424 16.922 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -4.828 0.317 19.742 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -5.832 1.159 18.557 1.00 0.00 H new ATOM 2053 N THR A 123 -6.595 0.192 15.332 1.00 0.00 N ATOM 2054 CA THR A 123 -7.729 -0.714 15.440 1.00 0.00 C ATOM 2055 C THR A 123 -7.685 -1.750 14.321 1.00 0.00 C ATOM 2056 O THR A 123 -8.113 -2.890 14.491 1.00 0.00 O ATOM 2057 CB THR A 123 -9.073 0.045 15.380 1.00 0.00 C ATOM 2058 OG1 THR A 123 -9.155 0.807 14.173 1.00 0.00 O ATOM 2059 CG2 THR A 123 -9.227 0.977 16.571 1.00 0.00 C ATOM 0 H THR A 123 -6.801 1.072 14.859 1.00 0.00 H new ATOM 0 HA THR A 123 -7.658 -1.211 16.408 1.00 0.00 H new ATOM 0 HB THR A 123 -9.875 -0.693 15.405 1.00 0.00 H new ATOM 0 HG1 THR A 123 -8.283 0.805 13.725 1.00 0.00 H new ATOM 0 HG21 THR A 123 -10.182 1.499 16.504 1.00 0.00 H new ATOM 0 HG22 THR A 123 -9.195 0.397 17.493 1.00 0.00 H new ATOM 0 HG23 THR A 123 -8.415 1.704 16.571 1.00 0.00 H new ATOM 2067 N LEU A 124 -7.161 -1.329 13.174 1.00 0.00 N ATOM 2068 CA LEU A 124 -7.028 -2.198 12.015 1.00 0.00 C ATOM 2069 C LEU A 124 -6.079 -3.357 12.282 1.00 0.00 C ATOM 2070 O LEU A 124 -5.036 -3.195 12.920 1.00 0.00 O ATOM 2071 CB LEU A 124 -6.536 -1.402 10.803 1.00 0.00 C ATOM 2072 CG LEU A 124 -7.624 -0.657 10.031 1.00 0.00 C ATOM 2073 CD1 LEU A 124 -7.008 0.302 9.030 1.00 0.00 C ATOM 2074 CD2 LEU A 124 -8.523 -1.648 9.316 1.00 0.00 C ATOM 0 H LEU A 124 -6.819 -0.380 13.024 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.016 -2.609 11.806 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -5.792 -0.680 11.140 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -6.031 -2.085 10.120 1.00 0.00 H new ATOM 0 HG LEU A 124 -8.219 -0.081 10.740 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.799 0.823 8.491 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.389 1.029 9.556 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.393 -0.255 8.323 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -9.296 -1.109 8.768 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -7.930 -2.240 8.619 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -8.990 -2.308 10.047 1.00 0.00 H new ATOM 2086 N ARG A 125 -6.461 -4.525 11.798 1.00 0.00 N ATOM 2087 CA ARG A 125 -5.610 -5.698 11.852 1.00 0.00 C ATOM 2088 C ARG A 125 -4.519 -5.584 10.787 1.00 0.00 C ATOM 2089 O ARG A 125 -4.722 -5.913 9.617 1.00 0.00 O ATOM 2090 CB ARG A 125 -6.464 -6.962 11.669 1.00 0.00 C ATOM 2091 CG ARG A 125 -5.685 -8.213 11.297 1.00 0.00 C ATOM 2092 CD ARG A 125 -4.668 -8.615 12.351 1.00 0.00 C ATOM 2093 NE ARG A 125 -3.786 -9.652 11.833 1.00 0.00 N ATOM 2094 CZ ARG A 125 -3.174 -10.576 12.568 1.00 0.00 C ATOM 2095 NH1 ARG A 125 -3.280 -10.569 13.892 1.00 0.00 N ATOM 2096 NH2 ARG A 125 -2.440 -11.500 11.961 1.00 0.00 N ATOM 0 H ARG A 125 -7.367 -4.686 11.358 1.00 0.00 H new ATOM 0 HA ARG A 125 -5.121 -5.767 12.824 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -7.008 -7.152 12.594 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -7.208 -6.771 10.895 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -6.383 -9.036 11.141 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -5.172 -8.046 10.350 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -4.082 -7.746 12.651 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -5.181 -8.976 13.242 1.00 0.00 H new ATOM 0 HE ARG A 125 -3.625 -9.671 10.826 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -3.835 -9.850 14.355 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -2.806 -11.283 14.445 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -2.352 -11.495 10.945 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -1.964 -12.216 12.511 1.00 0.00 H new ATOM 2110 N LEU A 126 -3.375 -5.065 11.199 1.00 0.00 N ATOM 2111 CA LEU A 126 -2.263 -4.840 10.293 1.00 0.00 C ATOM 2112 C LEU A 126 -1.056 -5.655 10.732 1.00 0.00 C ATOM 2113 O LEU A 126 -0.748 -5.731 11.921 1.00 0.00 O ATOM 2114 CB LEU A 126 -1.902 -3.350 10.256 1.00 0.00 C ATOM 2115 CG LEU A 126 -3.044 -2.410 9.856 1.00 0.00 C ATOM 2116 CD1 LEU A 126 -2.596 -0.960 9.942 1.00 0.00 C ATOM 2117 CD2 LEU A 126 -3.537 -2.728 8.454 1.00 0.00 C ATOM 0 H LEU A 126 -3.192 -4.790 12.164 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.559 -5.156 9.293 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -1.540 -3.056 11.241 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.077 -3.210 9.558 1.00 0.00 H new ATOM 0 HG LEU A 126 -3.868 -2.561 10.553 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.420 -0.307 9.654 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.293 -0.733 10.964 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -1.754 -0.799 9.269 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.348 -2.049 8.191 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.718 -2.608 7.745 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.899 -3.756 8.420 1.00 0.00 H new ATOM 2129 N ILE A 127 -0.383 -6.262 9.771 1.00 0.00 N ATOM 2130 CA ILE A 127 0.792 -7.069 10.050 1.00 0.00 C ATOM 2131 C ILE A 127 1.983 -6.551 9.267 1.00 0.00 C ATOM 2132 O ILE A 127 1.910 -5.506 8.622 1.00 0.00 O ATOM 2133 CB ILE A 127 0.574 -8.554 9.686 1.00 0.00 C ATOM 2134 CG1 ILE A 127 0.187 -8.691 8.208 1.00 0.00 C ATOM 2135 CG2 ILE A 127 -0.486 -9.171 10.585 1.00 0.00 C ATOM 2136 CD1 ILE A 127 0.152 -10.121 7.713 1.00 0.00 C ATOM 0 H ILE A 127 -0.632 -6.211 8.783 1.00 0.00 H new ATOM 0 HA ILE A 127 0.979 -6.996 11.121 1.00 0.00 H new ATOM 0 HB ILE A 127 1.508 -9.093 9.844 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -0.794 -8.240 8.056 1.00 0.00 H new ATOM 0 HG13 ILE A 127 0.895 -8.125 7.603 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.628 -10.218 10.315 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -0.165 -9.104 11.625 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -1.426 -8.634 10.460 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -0.129 -10.135 6.660 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.138 -10.571 7.831 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -0.577 -10.688 8.291 1.00 0.00 H new ATOM 2148 N ARG A 128 3.079 -7.286 9.325 1.00 0.00 N ATOM 2149 CA ARG A 128 4.249 -6.948 8.544 1.00 0.00 C ATOM 2150 C ARG A 128 4.357 -7.901 7.365 1.00 0.00 C ATOM 2151 O ARG A 128 4.446 -9.115 7.545 1.00 0.00 O ATOM 2152 CB ARG A 128 5.515 -7.004 9.401 1.00 0.00 C ATOM 2153 CG ARG A 128 5.442 -6.137 10.649 1.00 0.00 C ATOM 2154 CD ARG A 128 6.812 -5.934 11.275 1.00 0.00 C ATOM 2155 NE ARG A 128 7.673 -5.107 10.428 1.00 0.00 N ATOM 2156 CZ ARG A 128 8.786 -4.504 10.848 1.00 0.00 C ATOM 2157 NH1 ARG A 128 9.194 -4.642 12.103 1.00 0.00 N ATOM 2158 NH2 ARG A 128 9.492 -3.764 10.001 1.00 0.00 N ATOM 0 H ARG A 128 3.181 -8.119 9.905 1.00 0.00 H new ATOM 0 HA ARG A 128 4.147 -5.927 8.175 1.00 0.00 H new ATOM 0 HB2 ARG A 128 5.699 -8.037 9.696 1.00 0.00 H new ATOM 0 HB3 ARG A 128 6.367 -6.688 8.798 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.011 -5.169 10.394 1.00 0.00 H new ATOM 0 HG3 ARG A 128 4.775 -6.601 11.376 1.00 0.00 H new ATOM 0 HD2 ARG A 128 6.700 -5.463 12.252 1.00 0.00 H new ATOM 0 HD3 ARG A 128 7.285 -6.902 11.440 1.00 0.00 H new ATOM 0 HE ARG A 128 7.404 -4.984 9.452 1.00 0.00 H new ATOM 0 HH11 ARG A 128 8.655 -5.213 12.755 1.00 0.00 H new ATOM 0 HH12 ARG A 128 10.046 -4.177 12.416 1.00 0.00 H new ATOM 0 HH21 ARG A 128 9.182 -3.659 9.035 1.00 0.00 H new ATOM 0 HH22 ARG A 128 10.344 -3.300 10.317 1.00 0.00 H new ATOM 2172 N ILE A 129 4.313 -7.350 6.165 1.00 0.00 N ATOM 2173 CA ILE A 129 4.366 -8.146 4.949 1.00 0.00 C ATOM 2174 C ILE A 129 5.686 -7.933 4.218 1.00 0.00 C ATOM 2175 O ILE A 129 6.130 -6.800 4.034 1.00 0.00 O ATOM 2176 CB ILE A 129 3.180 -7.807 4.020 1.00 0.00 C ATOM 2177 CG1 ILE A 129 1.870 -8.290 4.651 1.00 0.00 C ATOM 2178 CG2 ILE A 129 3.372 -8.417 2.642 1.00 0.00 C ATOM 2179 CD1 ILE A 129 0.654 -8.091 3.772 1.00 0.00 C ATOM 0 H ILE A 129 4.240 -6.345 6.005 1.00 0.00 H new ATOM 0 HA ILE A 129 4.294 -9.196 5.233 1.00 0.00 H new ATOM 0 HB ILE A 129 3.134 -6.725 3.897 1.00 0.00 H new ATOM 0 HG12 ILE A 129 1.963 -9.349 4.891 1.00 0.00 H new ATOM 0 HG13 ILE A 129 1.716 -7.762 5.592 1.00 0.00 H new ATOM 0 HG21 ILE A 129 2.522 -8.162 2.009 1.00 0.00 H new ATOM 0 HG22 ILE A 129 4.287 -8.027 2.196 1.00 0.00 H new ATOM 0 HG23 ILE A 129 3.446 -9.501 2.731 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -0.233 -8.458 4.289 1.00 0.00 H new ATOM 0 HD12 ILE A 129 0.533 -7.030 3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 129 0.784 -8.642 2.840 1.00 0.00 H new ATOM 2191 N ASN A 130 6.309 -9.031 3.815 1.00 0.00 N ATOM 2192 CA ASN A 130 7.623 -8.984 3.186 1.00 0.00 C ATOM 2193 C ASN A 130 7.628 -9.728 1.853 1.00 0.00 C ATOM 2194 O ASN A 130 6.935 -10.738 1.690 1.00 0.00 O ATOM 2195 CB ASN A 130 8.657 -9.595 4.138 1.00 0.00 C ATOM 2196 CG ASN A 130 10.050 -9.707 3.545 1.00 0.00 C ATOM 2197 OD1 ASN A 130 10.469 -8.889 2.727 1.00 0.00 O ATOM 2198 ND2 ASN A 130 10.779 -10.729 3.969 1.00 0.00 N ATOM 0 H ASN A 130 5.924 -9.970 3.913 1.00 0.00 H new ATOM 0 HA ASN A 130 7.876 -7.944 2.983 1.00 0.00 H new ATOM 0 HB2 ASN A 130 8.706 -8.989 5.043 1.00 0.00 H new ATOM 0 HB3 ASN A 130 8.319 -10.587 4.437 1.00 0.00 H new ATOM 0 HD21 ASN A 130 11.727 -10.861 3.616 1.00 0.00 H new ATOM 0 HD22 ASN A 130 10.392 -11.384 4.649 1.00 0.00 H new ATOM 2205 N ASP A 131 8.401 -9.190 0.907 1.00 0.00 N ATOM 2206 CA ASP A 131 8.676 -9.820 -0.391 1.00 0.00 C ATOM 2207 C ASP A 131 7.431 -10.011 -1.258 1.00 0.00 C ATOM 2208 O ASP A 131 7.194 -9.243 -2.188 1.00 0.00 O ATOM 2209 CB ASP A 131 9.414 -11.156 -0.219 1.00 0.00 C ATOM 2210 CG ASP A 131 10.918 -10.974 -0.101 1.00 0.00 C ATOM 2211 OD1 ASP A 131 11.524 -10.416 -1.042 1.00 0.00 O ATOM 2212 OD2 ASP A 131 11.504 -11.385 0.926 1.00 0.00 O ATOM 0 H ASP A 131 8.863 -8.288 1.021 1.00 0.00 H new ATOM 0 HA ASP A 131 9.321 -9.120 -0.922 1.00 0.00 H new ATOM 0 HB2 ASP A 131 9.041 -11.663 0.671 1.00 0.00 H new ATOM 0 HB3 ASP A 131 9.194 -11.802 -1.069 1.00 0.00 H new ATOM 2217 N LYS A 132 6.638 -11.030 -0.959 1.00 0.00 N ATOM 2218 CA LYS A 132 5.534 -11.420 -1.832 1.00 0.00 C ATOM 2219 C LYS A 132 4.259 -11.686 -1.045 1.00 0.00 C ATOM 2220 O LYS A 132 3.475 -12.567 -1.392 1.00 0.00 O ATOM 2221 CB LYS A 132 5.922 -12.667 -2.629 1.00 0.00 C ATOM 2222 CG LYS A 132 6.374 -13.830 -1.756 1.00 0.00 C ATOM 2223 CD LYS A 132 6.619 -15.082 -2.580 1.00 0.00 C ATOM 2224 CE LYS A 132 7.107 -16.233 -1.716 1.00 0.00 C ATOM 2225 NZ LYS A 132 7.276 -17.483 -2.502 1.00 0.00 N ATOM 0 H LYS A 132 6.736 -11.602 -0.120 1.00 0.00 H new ATOM 0 HA LYS A 132 5.337 -10.592 -2.513 1.00 0.00 H new ATOM 0 HB2 LYS A 132 5.070 -12.984 -3.230 1.00 0.00 H new ATOM 0 HB3 LYS A 132 6.723 -12.411 -3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 132 7.287 -13.556 -1.228 1.00 0.00 H new ATOM 0 HG3 LYS A 132 5.617 -14.034 -0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 132 5.698 -15.371 -3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 132 7.356 -14.870 -3.355 1.00 0.00 H new ATOM 0 HE2 LYS A 132 8.057 -15.963 -1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 132 6.397 -16.406 -0.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 7.610 -18.244 -1.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 6.364 -17.755 -2.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 7.972 -17.326 -3.258 1.00 0.00 H new ATOM 2239 N GLY A 133 4.044 -10.912 0.001 1.00 0.00 N ATOM 2240 CA GLY A 133 2.840 -11.077 0.786 1.00 0.00 C ATOM 2241 C GLY A 133 3.046 -12.021 1.945 1.00 0.00 C ATOM 2242 O GLY A 133 2.089 -12.529 2.521 1.00 0.00 O ATOM 0 H GLY A 133 4.674 -10.177 0.321 1.00 0.00 H new ATOM 0 HA2 GLY A 133 2.517 -10.106 1.162 1.00 0.00 H new ATOM 0 HA3 GLY A 133 2.040 -11.455 0.149 1.00 0.00 H new ATOM 2246 N GLU A 134 4.302 -12.252 2.290 1.00 0.00 N ATOM 2247 CA GLU A 134 4.632 -13.168 3.365 1.00 0.00 C ATOM 2248 C GLU A 134 4.468 -12.478 4.712 1.00 0.00 C ATOM 2249 O GLU A 134 4.851 -11.315 4.874 1.00 0.00 O ATOM 2250 CB GLU A 134 6.062 -13.694 3.202 1.00 0.00 C ATOM 2251 CG GLU A 134 6.434 -14.773 4.207 1.00 0.00 C ATOM 2252 CD GLU A 134 5.530 -15.987 4.118 1.00 0.00 C ATOM 2253 OE1 GLU A 134 4.390 -15.925 4.625 1.00 0.00 O ATOM 2254 OE2 GLU A 134 5.956 -17.011 3.541 1.00 0.00 O ATOM 0 H GLU A 134 5.108 -11.817 1.841 1.00 0.00 H new ATOM 0 HA GLU A 134 3.948 -14.016 3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 134 6.181 -14.092 2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 134 6.759 -12.862 3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 134 7.466 -15.080 4.040 1.00 0.00 H new ATOM 0 HG3 GLU A 134 6.383 -14.360 5.214 1.00 0.00 H new ATOM 2261 N GLN A 135 3.893 -13.195 5.664 1.00 0.00 N ATOM 2262 CA GLN A 135 3.674 -12.665 6.997 1.00 0.00 C ATOM 2263 C GLN A 135 4.962 -12.738 7.805 1.00 0.00 C ATOM 2264 O GLN A 135 5.495 -13.820 8.046 1.00 0.00 O ATOM 2265 CB GLN A 135 2.551 -13.436 7.693 1.00 0.00 C ATOM 2266 CG GLN A 135 2.329 -13.033 9.141 1.00 0.00 C ATOM 2267 CD GLN A 135 1.134 -13.729 9.756 1.00 0.00 C ATOM 2268 OE1 GLN A 135 1.248 -14.836 10.280 1.00 0.00 O ATOM 2269 NE2 GLN A 135 -0.019 -13.080 9.707 1.00 0.00 N ATOM 0 H GLN A 135 3.568 -14.153 5.535 1.00 0.00 H new ATOM 0 HA GLN A 135 3.374 -11.620 6.920 1.00 0.00 H new ATOM 0 HB2 GLN A 135 1.624 -13.287 7.139 1.00 0.00 H new ATOM 0 HB3 GLN A 135 2.777 -14.501 7.654 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.221 -13.267 9.722 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.186 -11.954 9.197 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -0.070 -12.163 9.263 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -0.856 -13.497 10.114 1.00 0.00 H new ATOM 2278 N VAL A 136 5.466 -11.583 8.203 1.00 0.00 N ATOM 2279 CA VAL A 136 6.729 -11.501 8.916 1.00 0.00 C ATOM 2280 C VAL A 136 6.548 -11.782 10.398 1.00 0.00 C ATOM 2281 O VAL A 136 5.902 -11.007 11.113 1.00 0.00 O ATOM 2282 CB VAL A 136 7.394 -10.124 8.743 1.00 0.00 C ATOM 2283 CG1 VAL A 136 8.719 -10.059 9.490 1.00 0.00 C ATOM 2284 CG2 VAL A 136 7.594 -9.806 7.274 1.00 0.00 C ATOM 0 H VAL A 136 5.016 -10.682 8.043 1.00 0.00 H new ATOM 0 HA VAL A 136 7.377 -12.262 8.482 1.00 0.00 H new ATOM 0 HB VAL A 136 6.728 -9.374 9.170 1.00 0.00 H new ATOM 0 HG11 VAL A 136 9.167 -9.075 9.351 1.00 0.00 H new ATOM 0 HG12 VAL A 136 8.547 -10.232 10.552 1.00 0.00 H new ATOM 0 HG13 VAL A 136 9.393 -10.823 9.103 1.00 0.00 H new ATOM 0 HG21 VAL A 136 8.065 -8.828 7.174 1.00 0.00 H new ATOM 0 HG22 VAL A 136 8.232 -10.565 6.821 1.00 0.00 H new ATOM 0 HG23 VAL A 136 6.628 -9.796 6.769 1.00 0.00 H new ATOM 2294 N VAL A 137 7.094 -12.895 10.848 1.00 0.00 N ATOM 2295 CA VAL A 137 7.155 -13.200 12.266 1.00 0.00 C ATOM 2296 C VAL A 137 8.610 -13.263 12.701 1.00 0.00 C ATOM 2297 O VAL A 137 9.515 -13.285 11.859 1.00 0.00 O ATOM 2298 CB VAL A 137 6.453 -14.533 12.617 1.00 0.00 C ATOM 2299 CG1 VAL A 137 5.009 -14.536 12.136 1.00 0.00 C ATOM 2300 CG2 VAL A 137 7.216 -15.718 12.044 1.00 0.00 C ATOM 0 H VAL A 137 7.505 -13.609 10.247 1.00 0.00 H new ATOM 0 HA VAL A 137 6.627 -12.407 12.796 1.00 0.00 H new ATOM 0 HB VAL A 137 6.445 -14.628 13.703 1.00 0.00 H new ATOM 0 HG11 VAL A 137 4.541 -15.485 12.396 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.465 -13.720 12.612 1.00 0.00 H new ATOM 0 HG13 VAL A 137 4.986 -14.405 11.054 1.00 0.00 H new ATOM 0 HG21 VAL A 137 6.701 -16.643 12.305 1.00 0.00 H new ATOM 0 HG22 VAL A 137 7.269 -15.626 10.959 1.00 0.00 H new ATOM 0 HG23 VAL A 137 8.225 -15.735 12.457 1.00 0.00 H new