USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=15 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 44 HIS : no HD1:sc= 0.356 K(o=1.5,f=-7.1!) USER MOD Set 1.2: A 103 SER OG : rot 30:sc= 1.15 USER MOD Set 2.1: A 33 SER OG : rot -70:sc= 1.28 USER MOD Set 2.2: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 27 MET CE :methyl -139:sc= 0 (180deg=-0.343) USER MOD Set 3.2: A 99 CYS SG : rot -64:sc= -0.395 USER MOD Single : A 19 HIS : no HD1:sc= 0.898 K(o=0.9,f=-5.2!) USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= -0.0137 (180deg=-0.152) USER MOD Single : A 28 GLN : amide:sc= -0.174 K(o=-0.17,f=-1.5) USER MOD Single : A 32 ASN : amide:sc= -2.75! K(o=-2.7!,f=-1.9) USER MOD Single : A 37 LYS NZ :NH3+ -161:sc= -0.0574 (180deg=-0.367) USER MOD Single : A 39 GLN : amide:sc= -0.0177 K(o=-0.018,f=-0.6) USER MOD Single : A 46 HIS : no HD1:sc= -0.476 K(o=-0.48,f=-1.8) USER MOD Single : A 47 THR OG1 : rot 58:sc= -0.333 USER MOD Single : A 52 GLN : amide:sc= 0.431 K(o=0.43,f=-0.86) USER MOD Single : A 53 SER OG : rot -85:sc= 0.753 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 84 GLN : amide:sc= -0.0186 K(o=-0.019,f=-0.99) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.533 X(o=-0.53,f=-0.86) USER MOD Single : A 108 MET CE :methyl -152:sc= -2.2 (180deg=-5.29!) USER MOD Single : A 113 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 THR OG1 : rot -160:sc= -3.3! USER MOD Single : A 122 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 123 THR OG1 : rot -18:sc= 0.631 USER MOD Single : A 130 ASN : amide:sc= -2.89! K(o=-2.9!,f=-0.07) USER MOD Single : A 132 LYS NZ :NH3+ 165:sc= 1.14 (180deg=0.573) USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 308 N VAL A 18 0.066 8.847 7.991 1.00 0.00 N ATOM 309 CA VAL A 18 -0.532 8.837 6.661 1.00 0.00 C ATOM 310 C VAL A 18 0.215 7.877 5.741 1.00 0.00 C ATOM 311 O VAL A 18 -0.367 7.302 4.821 1.00 0.00 O ATOM 312 CB VAL A 18 -0.542 10.251 6.038 1.00 0.00 C ATOM 313 CG1 VAL A 18 -1.226 10.247 4.679 1.00 0.00 C ATOM 314 CG2 VAL A 18 -1.223 11.233 6.975 1.00 0.00 C ATOM 0 HA VAL A 18 -1.563 8.500 6.770 1.00 0.00 H new ATOM 0 HB VAL A 18 0.491 10.565 5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.218 11.255 4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.695 9.574 4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.256 9.909 4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.223 12.225 6.524 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.250 10.914 7.152 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.685 11.265 7.922 1.00 0.00 H new ATOM 324 N HIS A 19 1.502 7.688 6.013 1.00 0.00 N ATOM 325 CA HIS A 19 2.326 6.780 5.224 1.00 0.00 C ATOM 326 C HIS A 19 1.778 5.355 5.296 1.00 0.00 C ATOM 327 O HIS A 19 1.897 4.585 4.341 1.00 0.00 O ATOM 328 CB HIS A 19 3.780 6.814 5.706 1.00 0.00 C ATOM 329 CG HIS A 19 4.736 6.150 4.762 1.00 0.00 C ATOM 330 ND1 HIS A 19 5.738 5.293 5.166 1.00 0.00 N ATOM 331 CD2 HIS A 19 4.845 6.244 3.418 1.00 0.00 C ATOM 332 CE1 HIS A 19 6.418 4.893 4.109 1.00 0.00 C ATOM 333 NE2 HIS A 19 5.898 5.454 3.035 1.00 0.00 N ATOM 0 H HIS A 19 1.997 8.152 6.775 1.00 0.00 H new ATOM 0 HA HIS A 19 2.297 7.111 4.186 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.083 7.851 5.849 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.844 6.326 6.679 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.218 6.833 2.766 1.00 0.00 H new ATOM 0 HE1 HIS A 19 7.261 4.218 4.121 1.00 0.00 H new ATOM 0 HE2 HIS A 19 6.225 5.322 2.078 1.00 0.00 H new ATOM 342 N GLU A 20 1.171 5.013 6.426 1.00 0.00 N ATOM 343 CA GLU A 20 0.568 3.702 6.600 1.00 0.00 C ATOM 344 C GLU A 20 -0.902 3.729 6.196 1.00 0.00 C ATOM 345 O GLU A 20 -1.343 2.931 5.373 1.00 0.00 O ATOM 346 CB GLU A 20 0.673 3.218 8.054 1.00 0.00 C ATOM 347 CG GLU A 20 2.083 3.218 8.627 1.00 0.00 C ATOM 348 CD GLU A 20 2.492 4.570 9.166 1.00 0.00 C ATOM 349 OE1 GLU A 20 2.116 4.888 10.314 1.00 0.00 O ATOM 350 OE2 GLU A 20 3.180 5.324 8.443 1.00 0.00 O ATOM 0 H GLU A 20 1.084 5.628 7.235 1.00 0.00 H new ATOM 0 HA GLU A 20 1.117 3.012 5.959 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.042 3.850 8.679 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.271 2.207 8.115 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.147 2.478 9.425 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.786 2.912 7.852 1.00 0.00 H new ATOM 357 N LEU A 21 -1.651 4.673 6.757 1.00 0.00 N ATOM 358 CA LEU A 21 -3.108 4.680 6.631 1.00 0.00 C ATOM 359 C LEU A 21 -3.575 4.912 5.197 1.00 0.00 C ATOM 360 O LEU A 21 -4.662 4.472 4.823 1.00 0.00 O ATOM 361 CB LEU A 21 -3.725 5.735 7.555 1.00 0.00 C ATOM 362 CG LEU A 21 -3.347 5.612 9.031 1.00 0.00 C ATOM 363 CD1 LEU A 21 -4.038 6.692 9.848 1.00 0.00 C ATOM 364 CD2 LEU A 21 -3.701 4.233 9.566 1.00 0.00 C ATOM 0 H LEU A 21 -1.274 5.446 7.305 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.449 3.688 6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.427 6.722 7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.810 5.680 7.469 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.269 5.746 9.119 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.758 6.590 10.897 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.734 7.674 9.485 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.118 6.588 9.749 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.423 4.168 10.618 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.773 4.067 9.463 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.161 3.474 9.001 1.00 0.00 H new ATOM 376 N ALA A 22 -2.761 5.588 4.393 1.00 0.00 N ATOM 377 CA ALA A 22 -3.114 5.835 2.997 1.00 0.00 C ATOM 378 C ALA A 22 -3.293 4.523 2.236 1.00 0.00 C ATOM 379 O ALA A 22 -4.025 4.461 1.248 1.00 0.00 O ATOM 380 CB ALA A 22 -2.058 6.697 2.321 1.00 0.00 C ATOM 0 H ALA A 22 -1.860 5.972 4.679 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.063 6.370 2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.339 6.869 1.282 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.982 7.653 2.840 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.095 6.187 2.356 1.00 0.00 H new ATOM 386 N ARG A 23 -2.641 3.470 2.716 1.00 0.00 N ATOM 387 CA ARG A 23 -2.722 2.171 2.068 1.00 0.00 C ATOM 388 C ARG A 23 -4.093 1.547 2.309 1.00 0.00 C ATOM 389 O ARG A 23 -4.648 0.894 1.429 1.00 0.00 O ATOM 390 CB ARG A 23 -1.607 1.248 2.575 1.00 0.00 C ATOM 391 CG ARG A 23 -1.940 0.471 3.841 1.00 0.00 C ATOM 392 CD ARG A 23 -0.700 -0.167 4.443 1.00 0.00 C ATOM 393 NE ARG A 23 -0.067 -1.125 3.534 1.00 0.00 N ATOM 394 CZ ARG A 23 0.998 -0.850 2.780 1.00 0.00 C ATOM 395 NH1 ARG A 23 1.510 0.377 2.768 1.00 0.00 N ATOM 396 NH2 ARG A 23 1.542 -1.801 2.034 1.00 0.00 N ATOM 0 H ARG A 23 -2.053 3.492 3.549 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.589 2.306 0.995 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.357 0.538 1.786 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.715 1.847 2.759 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.397 1.140 4.570 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.674 -0.302 3.613 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.017 0.612 4.702 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.969 -0.673 5.370 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.466 -2.062 3.474 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.088 1.111 3.337 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.325 0.584 2.190 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.146 -2.741 2.037 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.357 -1.593 1.457 1.00 0.00 H new ATOM 410 N VAL A 24 -4.642 1.780 3.498 1.00 0.00 N ATOM 411 CA VAL A 24 -5.953 1.253 3.850 1.00 0.00 C ATOM 412 C VAL A 24 -7.025 2.007 3.080 1.00 0.00 C ATOM 413 O VAL A 24 -7.977 1.416 2.576 1.00 0.00 O ATOM 414 CB VAL A 24 -6.223 1.368 5.368 1.00 0.00 C ATOM 415 CG1 VAL A 24 -7.550 0.718 5.736 1.00 0.00 C ATOM 416 CG2 VAL A 24 -5.084 0.749 6.164 1.00 0.00 C ATOM 0 H VAL A 24 -4.198 2.331 4.233 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.976 0.196 3.585 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.284 2.427 5.621 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.716 0.813 6.809 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -8.359 1.213 5.199 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.526 -0.337 5.464 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.293 0.840 7.230 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.988 -0.305 5.902 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.154 1.267 5.931 1.00 0.00 H new ATOM 426 N LYS A 25 -6.836 3.318 2.977 1.00 0.00 N ATOM 427 CA LYS A 25 -7.722 4.174 2.200 1.00 0.00 C ATOM 428 C LYS A 25 -7.798 3.689 0.754 1.00 0.00 C ATOM 429 O LYS A 25 -8.883 3.585 0.177 1.00 0.00 O ATOM 430 CB LYS A 25 -7.214 5.617 2.246 1.00 0.00 C ATOM 431 CG LYS A 25 -8.068 6.600 1.465 1.00 0.00 C ATOM 432 CD LYS A 25 -7.464 7.994 1.487 1.00 0.00 C ATOM 433 CE LYS A 25 -8.307 8.981 0.697 1.00 0.00 C ATOM 434 NZ LYS A 25 -9.653 9.172 1.298 1.00 0.00 N ATOM 0 H LYS A 25 -6.068 3.815 3.428 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.722 4.132 2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.165 5.941 3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.197 5.645 1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.167 6.260 0.434 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.072 6.629 1.888 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.373 8.336 2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.457 7.961 1.072 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.792 9.941 0.650 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.415 8.626 -0.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.130 9.971 0.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.217 8.308 1.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.554 9.371 2.314 1.00 0.00 H new ATOM 448 N PHE A 26 -6.637 3.386 0.184 1.00 0.00 N ATOM 449 CA PHE A 26 -6.560 2.874 -1.176 1.00 0.00 C ATOM 450 C PHE A 26 -7.266 1.523 -1.284 1.00 0.00 C ATOM 451 O PHE A 26 -8.156 1.348 -2.114 1.00 0.00 O ATOM 452 CB PHE A 26 -5.096 2.747 -1.617 1.00 0.00 C ATOM 453 CG PHE A 26 -4.928 2.199 -3.008 1.00 0.00 C ATOM 454 CD1 PHE A 26 -5.184 2.991 -4.118 1.00 0.00 C ATOM 455 CD2 PHE A 26 -4.521 0.890 -3.204 1.00 0.00 C ATOM 456 CE1 PHE A 26 -5.037 2.484 -5.396 1.00 0.00 C ATOM 457 CE2 PHE A 26 -4.374 0.379 -4.480 1.00 0.00 C ATOM 458 CZ PHE A 26 -4.631 1.176 -5.576 1.00 0.00 C ATOM 0 H PHE A 26 -5.734 3.487 0.646 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.064 3.579 -1.837 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.623 3.728 -1.563 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.569 2.100 -0.915 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.501 4.014 -3.982 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.316 0.261 -2.350 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.239 3.110 -6.253 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.058 -0.644 -4.619 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.515 0.778 -6.573 1.00 0.00 H new ATOM 468 N MET A 27 -6.871 0.582 -0.426 1.00 0.00 N ATOM 469 CA MET A 27 -7.452 -0.761 -0.418 1.00 0.00 C ATOM 470 C MET A 27 -8.971 -0.701 -0.280 1.00 0.00 C ATOM 471 O MET A 27 -9.691 -1.410 -0.980 1.00 0.00 O ATOM 472 CB MET A 27 -6.844 -1.595 0.718 1.00 0.00 C ATOM 473 CG MET A 27 -5.373 -1.933 0.506 1.00 0.00 C ATOM 474 SD MET A 27 -4.620 -2.732 1.942 1.00 0.00 S ATOM 475 CE MET A 27 -2.946 -2.998 1.355 1.00 0.00 C ATOM 0 H MET A 27 -6.146 0.727 0.277 1.00 0.00 H new ATOM 0 HA MET A 27 -7.219 -1.238 -1.370 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.952 -1.050 1.656 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.410 -2.521 0.821 1.00 0.00 H new ATOM 0 HG2 MET A 27 -5.277 -2.588 -0.360 1.00 0.00 H new ATOM 0 HG3 MET A 27 -4.825 -1.019 0.276 1.00 0.00 H new ATOM 0 HE1 MET A 27 -2.601 -3.982 1.673 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.929 -2.942 0.267 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.290 -2.232 1.768 1.00 0.00 H new ATOM 485 N GLN A 28 -9.448 0.171 0.601 1.00 0.00 N ATOM 486 CA GLN A 28 -10.878 0.323 0.850 1.00 0.00 C ATOM 487 C GLN A 28 -11.617 0.731 -0.416 1.00 0.00 C ATOM 488 O GLN A 28 -12.570 0.069 -0.832 1.00 0.00 O ATOM 489 CB GLN A 28 -11.117 1.382 1.919 1.00 0.00 C ATOM 490 CG GLN A 28 -12.544 1.430 2.430 1.00 0.00 C ATOM 491 CD GLN A 28 -12.776 2.598 3.363 1.00 0.00 C ATOM 492 OE1 GLN A 28 -11.864 3.050 4.050 1.00 0.00 O ATOM 493 NE2 GLN A 28 -13.991 3.117 3.370 1.00 0.00 N ATOM 0 H GLN A 28 -8.860 0.789 1.160 1.00 0.00 H new ATOM 0 HA GLN A 28 -11.257 -0.642 1.188 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.447 1.194 2.758 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -10.854 2.359 1.514 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.229 1.500 1.585 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -12.774 0.500 2.950 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.722 2.712 2.785 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.198 3.922 3.961 1.00 0.00 H new ATOM 502 N ASP A 29 -11.172 1.825 -1.021 1.00 0.00 N ATOM 503 CA ASP A 29 -11.838 2.381 -2.191 1.00 0.00 C ATOM 504 C ASP A 29 -11.785 1.409 -3.364 1.00 0.00 C ATOM 505 O ASP A 29 -12.742 1.295 -4.125 1.00 0.00 O ATOM 506 CB ASP A 29 -11.208 3.718 -2.577 1.00 0.00 C ATOM 507 CG ASP A 29 -11.923 4.383 -3.737 1.00 0.00 C ATOM 508 OD1 ASP A 29 -13.037 4.915 -3.528 1.00 0.00 O ATOM 509 OD2 ASP A 29 -11.374 4.381 -4.857 1.00 0.00 O ATOM 0 H ASP A 29 -10.349 2.346 -0.719 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.885 2.548 -1.938 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -11.222 4.385 -1.715 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.162 3.561 -2.841 1.00 0.00 H new ATOM 514 N VAL A 30 -10.675 0.693 -3.485 1.00 0.00 N ATOM 515 CA VAL A 30 -10.506 -0.289 -4.551 1.00 0.00 C ATOM 516 C VAL A 30 -11.528 -1.419 -4.435 1.00 0.00 C ATOM 517 O VAL A 30 -12.117 -1.833 -5.433 1.00 0.00 O ATOM 518 CB VAL A 30 -9.074 -0.871 -4.556 1.00 0.00 C ATOM 519 CG1 VAL A 30 -8.971 -2.059 -5.495 1.00 0.00 C ATOM 520 CG2 VAL A 30 -8.072 0.198 -4.957 1.00 0.00 C ATOM 0 H VAL A 30 -9.875 0.773 -2.857 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.672 0.231 -5.494 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.846 -1.213 -3.546 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.953 -2.448 -5.479 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.663 -2.838 -5.174 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.223 -1.745 -6.508 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.068 -0.226 -4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.311 0.564 -5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.118 1.024 -4.247 1.00 0.00 H new ATOM 530 N VAL A 31 -11.748 -1.900 -3.215 1.00 0.00 N ATOM 531 CA VAL A 31 -12.724 -2.963 -2.976 1.00 0.00 C ATOM 532 C VAL A 31 -14.139 -2.465 -3.254 1.00 0.00 C ATOM 533 O VAL A 31 -14.990 -3.204 -3.748 1.00 0.00 O ATOM 534 CB VAL A 31 -12.654 -3.487 -1.520 1.00 0.00 C ATOM 535 CG1 VAL A 31 -13.689 -4.578 -1.277 1.00 0.00 C ATOM 536 CG2 VAL A 31 -11.262 -4.002 -1.197 1.00 0.00 C ATOM 0 H VAL A 31 -11.266 -1.573 -2.378 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.478 -3.780 -3.655 1.00 0.00 H new ATOM 0 HB VAL A 31 -12.878 -2.651 -0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -13.616 -4.926 -0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -14.687 -4.178 -1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -13.505 -5.411 -1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.238 -4.365 -0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.009 -4.817 -1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.539 -3.195 -1.314 1.00 0.00 H new ATOM 546 N ASN A 32 -14.378 -1.197 -2.952 1.00 0.00 N ATOM 547 CA ASN A 32 -15.716 -0.634 -3.047 1.00 0.00 C ATOM 548 C ASN A 32 -16.016 -0.114 -4.448 1.00 0.00 C ATOM 549 O ASN A 32 -17.155 0.238 -4.755 1.00 0.00 O ATOM 550 CB ASN A 32 -15.903 0.484 -2.010 1.00 0.00 C ATOM 551 CG ASN A 32 -16.174 -0.049 -0.615 1.00 0.00 C ATOM 552 OD1 ASN A 32 -17.322 -0.287 -0.237 1.00 0.00 O ATOM 553 ND2 ASN A 32 -15.120 -0.232 0.165 1.00 0.00 N ATOM 0 H ASN A 32 -13.663 -0.540 -2.640 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.423 -1.436 -2.837 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -15.009 1.107 -1.989 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -16.730 1.124 -2.317 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -15.243 -0.582 1.115 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -14.185 -0.023 -0.184 1.00 0.00 H new ATOM 560 N SER A 33 -15.002 -0.067 -5.296 1.00 0.00 N ATOM 561 CA SER A 33 -15.193 0.353 -6.673 1.00 0.00 C ATOM 562 C SER A 33 -15.072 -0.844 -7.606 1.00 0.00 C ATOM 563 O SER A 33 -14.424 -1.836 -7.271 1.00 0.00 O ATOM 564 CB SER A 33 -14.186 1.443 -7.052 1.00 0.00 C ATOM 565 OG SER A 33 -12.855 1.047 -6.762 1.00 0.00 O ATOM 0 H SER A 33 -14.042 -0.314 -5.056 1.00 0.00 H new ATOM 0 HA SER A 33 -16.194 0.772 -6.774 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.276 1.669 -8.115 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.420 2.360 -6.510 1.00 0.00 H new ATOM 0 HG SER A 33 -12.724 1.026 -5.791 1.00 0.00 H new ATOM 571 N ASP A 34 -15.675 -0.746 -8.785 1.00 0.00 N ATOM 572 CA ASP A 34 -15.713 -1.864 -9.732 1.00 0.00 C ATOM 573 C ASP A 34 -14.326 -2.173 -10.289 1.00 0.00 C ATOM 574 O ASP A 34 -14.158 -3.122 -11.055 1.00 0.00 O ATOM 575 CB ASP A 34 -16.672 -1.570 -10.889 1.00 0.00 C ATOM 576 CG ASP A 34 -18.095 -1.339 -10.430 1.00 0.00 C ATOM 577 OD1 ASP A 34 -18.851 -2.322 -10.268 1.00 0.00 O ATOM 578 OD2 ASP A 34 -18.470 -0.162 -10.234 1.00 0.00 O ATOM 0 H ASP A 34 -16.147 0.097 -9.113 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.070 -2.735 -9.183 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.323 -0.690 -11.429 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.653 -2.404 -11.591 1.00 0.00 H new ATOM 583 N THR A 35 -13.345 -1.363 -9.905 1.00 0.00 N ATOM 584 CA THR A 35 -11.964 -1.564 -10.314 1.00 0.00 C ATOM 585 C THR A 35 -11.486 -2.975 -9.963 1.00 0.00 C ATOM 586 O THR A 35 -10.889 -3.659 -10.795 1.00 0.00 O ATOM 587 CB THR A 35 -11.048 -0.515 -9.653 1.00 0.00 C ATOM 588 OG1 THR A 35 -11.529 0.797 -9.962 1.00 0.00 O ATOM 589 CG2 THR A 35 -9.608 -0.655 -10.127 1.00 0.00 C ATOM 0 H THR A 35 -13.487 -0.552 -9.303 1.00 0.00 H new ATOM 0 HA THR A 35 -11.914 -1.445 -11.396 1.00 0.00 H new ATOM 0 HB THR A 35 -11.066 -0.678 -8.575 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.949 1.466 -9.541 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.990 0.100 -9.641 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.236 -1.647 -9.872 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.566 -0.518 -11.208 1.00 0.00 H new ATOM 597 N PHE A 36 -11.761 -3.412 -8.736 1.00 0.00 N ATOM 598 CA PHE A 36 -11.430 -4.770 -8.314 1.00 0.00 C ATOM 599 C PHE A 36 -12.536 -5.353 -7.441 1.00 0.00 C ATOM 600 O PHE A 36 -12.319 -6.320 -6.713 1.00 0.00 O ATOM 601 CB PHE A 36 -10.094 -4.807 -7.564 1.00 0.00 C ATOM 602 CG PHE A 36 -8.892 -4.678 -8.460 1.00 0.00 C ATOM 603 CD1 PHE A 36 -8.567 -5.689 -9.347 1.00 0.00 C ATOM 604 CD2 PHE A 36 -8.087 -3.553 -8.407 1.00 0.00 C ATOM 605 CE1 PHE A 36 -7.462 -5.580 -10.168 1.00 0.00 C ATOM 606 CE2 PHE A 36 -6.980 -3.439 -9.227 1.00 0.00 C ATOM 607 CZ PHE A 36 -6.667 -4.453 -10.108 1.00 0.00 C ATOM 0 H PHE A 36 -12.212 -2.846 -8.017 1.00 0.00 H new ATOM 0 HA PHE A 36 -11.337 -5.379 -9.213 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.077 -4.001 -6.830 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -10.024 -5.743 -7.010 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.185 -6.574 -9.398 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.326 -2.756 -7.718 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.220 -6.376 -10.857 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.360 -2.556 -9.178 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.802 -4.366 -10.749 1.00 0.00 H new ATOM 617 N LYS A 37 -13.729 -4.773 -7.547 1.00 0.00 N ATOM 618 CA LYS A 37 -14.891 -5.233 -6.783 1.00 0.00 C ATOM 619 C LYS A 37 -15.237 -6.683 -7.128 1.00 0.00 C ATOM 620 O LYS A 37 -15.866 -7.387 -6.342 1.00 0.00 O ATOM 621 CB LYS A 37 -16.092 -4.329 -7.068 1.00 0.00 C ATOM 622 CG LYS A 37 -17.347 -4.711 -6.305 1.00 0.00 C ATOM 623 CD LYS A 37 -18.469 -3.720 -6.553 1.00 0.00 C ATOM 624 CE LYS A 37 -19.777 -4.200 -5.950 1.00 0.00 C ATOM 625 NZ LYS A 37 -20.262 -5.446 -6.600 1.00 0.00 N ATOM 0 H LYS A 37 -13.919 -3.979 -8.158 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.644 -5.184 -5.723 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -15.827 -3.301 -6.820 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.307 -4.354 -8.136 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.668 -5.709 -6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -17.127 -4.754 -5.238 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -18.203 -2.753 -6.126 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -18.594 -3.571 -7.625 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -19.642 -4.376 -4.883 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.532 -3.420 -6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -21.276 -5.567 -6.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -20.112 -5.383 -7.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -19.738 -6.261 -6.223 1.00 0.00 H new ATOM 639 N GLY A 38 -14.808 -7.126 -8.309 1.00 0.00 N ATOM 640 CA GLY A 38 -15.083 -8.482 -8.749 1.00 0.00 C ATOM 641 C GLY A 38 -14.344 -9.521 -7.927 1.00 0.00 C ATOM 642 O GLY A 38 -14.643 -10.715 -8.001 1.00 0.00 O ATOM 0 H GLY A 38 -14.272 -6.565 -8.971 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.155 -8.670 -8.687 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.801 -8.585 -9.797 1.00 0.00 H new ATOM 646 N GLN A 39 -13.374 -9.070 -7.148 1.00 0.00 N ATOM 647 CA GLN A 39 -12.643 -9.945 -6.250 1.00 0.00 C ATOM 648 C GLN A 39 -13.277 -9.897 -4.866 1.00 0.00 C ATOM 649 O GLN A 39 -13.339 -8.836 -4.251 1.00 0.00 O ATOM 650 CB GLN A 39 -11.177 -9.511 -6.166 1.00 0.00 C ATOM 651 CG GLN A 39 -10.465 -9.492 -7.508 1.00 0.00 C ATOM 652 CD GLN A 39 -10.336 -10.872 -8.122 1.00 0.00 C ATOM 653 OE1 GLN A 39 -10.231 -11.875 -7.415 1.00 0.00 O ATOM 654 NE2 GLN A 39 -10.347 -10.936 -9.442 1.00 0.00 N ATOM 0 H GLN A 39 -13.074 -8.095 -7.121 1.00 0.00 H new ATOM 0 HA GLN A 39 -12.685 -10.965 -6.633 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.127 -8.516 -5.725 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.646 -10.185 -5.493 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.009 -8.843 -8.194 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.472 -9.061 -7.382 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.436 -10.082 -9.993 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.267 -11.839 -9.909 1.00 0.00 H new ATOM 663 N PRO A 40 -13.787 -11.036 -4.368 1.00 0.00 N ATOM 664 CA PRO A 40 -14.392 -11.102 -3.034 1.00 0.00 C ATOM 665 C PRO A 40 -13.400 -10.684 -1.958 1.00 0.00 C ATOM 666 O PRO A 40 -13.593 -9.682 -1.269 1.00 0.00 O ATOM 667 CB PRO A 40 -14.769 -12.580 -2.873 1.00 0.00 C ATOM 668 CG PRO A 40 -14.823 -13.120 -4.262 1.00 0.00 C ATOM 669 CD PRO A 40 -13.815 -12.338 -5.055 1.00 0.00 C ATOM 0 HA PRO A 40 -15.245 -10.431 -2.932 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -14.032 -13.112 -2.272 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.730 -12.689 -2.370 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.588 -14.184 -4.275 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.822 -13.009 -4.684 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -12.837 -12.818 -5.049 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.114 -12.237 -6.098 1.00 0.00 H new ATOM 677 N ILE A 41 -12.338 -11.462 -1.831 1.00 0.00 N ATOM 678 CA ILE A 41 -11.251 -11.149 -0.923 1.00 0.00 C ATOM 679 C ILE A 41 -9.940 -11.223 -1.696 1.00 0.00 C ATOM 680 O ILE A 41 -9.801 -12.049 -2.602 1.00 0.00 O ATOM 681 CB ILE A 41 -11.195 -12.134 0.271 1.00 0.00 C ATOM 682 CG1 ILE A 41 -12.574 -12.292 0.922 1.00 0.00 C ATOM 683 CG2 ILE A 41 -10.184 -11.664 1.305 1.00 0.00 C ATOM 684 CD1 ILE A 41 -13.139 -11.013 1.505 1.00 0.00 C ATOM 0 H ILE A 41 -12.207 -12.327 -2.355 1.00 0.00 H new ATOM 0 HA ILE A 41 -11.414 -10.149 -0.521 1.00 0.00 H new ATOM 0 HB ILE A 41 -10.883 -13.105 -0.114 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -13.272 -12.678 0.179 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.506 -13.039 1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -10.159 -12.369 2.136 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.196 -11.607 0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.471 -10.679 1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -14.116 -11.214 1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.465 -10.635 2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.243 -10.268 0.716 1.00 0.00 H new ATOM 696 N PHE A 42 -8.989 -10.367 -1.358 1.00 0.00 N ATOM 697 CA PHE A 42 -7.706 -10.352 -2.047 1.00 0.00 C ATOM 698 C PHE A 42 -6.768 -11.422 -1.489 1.00 0.00 C ATOM 699 O PHE A 42 -7.192 -12.317 -0.757 1.00 0.00 O ATOM 700 CB PHE A 42 -7.058 -8.969 -1.949 1.00 0.00 C ATOM 701 CG PHE A 42 -7.764 -7.914 -2.750 1.00 0.00 C ATOM 702 CD1 PHE A 42 -7.954 -8.074 -4.113 1.00 0.00 C ATOM 703 CD2 PHE A 42 -8.225 -6.759 -2.144 1.00 0.00 C ATOM 704 CE1 PHE A 42 -8.594 -7.102 -4.855 1.00 0.00 C ATOM 705 CE2 PHE A 42 -8.866 -5.783 -2.882 1.00 0.00 C ATOM 706 CZ PHE A 42 -9.051 -5.955 -4.239 1.00 0.00 C ATOM 0 H PHE A 42 -9.079 -9.675 -0.614 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.888 -10.577 -3.098 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.033 -8.663 -0.903 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.024 -9.037 -2.286 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.597 -8.969 -4.600 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.082 -6.619 -1.083 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.737 -7.239 -5.917 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.222 -4.886 -2.398 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.552 -5.193 -4.818 1.00 0.00 H new ATOM 716 N ASP A 43 -5.501 -11.341 -1.865 1.00 0.00 N ATOM 717 CA ASP A 43 -4.495 -12.301 -1.431 1.00 0.00 C ATOM 718 C ASP A 43 -3.154 -11.586 -1.284 1.00 0.00 C ATOM 719 O ASP A 43 -3.025 -10.436 -1.704 1.00 0.00 O ATOM 720 CB ASP A 43 -4.398 -13.451 -2.447 1.00 0.00 C ATOM 721 CG ASP A 43 -3.427 -14.538 -2.037 1.00 0.00 C ATOM 722 OD1 ASP A 43 -3.851 -15.490 -1.353 1.00 0.00 O ATOM 723 OD2 ASP A 43 -2.234 -14.443 -2.395 1.00 0.00 O ATOM 0 H ASP A 43 -5.141 -10.610 -2.478 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.775 -12.725 -0.467 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.386 -13.890 -2.583 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.093 -13.048 -3.413 1.00 0.00 H new ATOM 728 N HIS A 44 -2.165 -12.263 -0.706 1.00 0.00 N ATOM 729 CA HIS A 44 -0.844 -11.672 -0.480 1.00 0.00 C ATOM 730 C HIS A 44 -0.176 -11.281 -1.801 1.00 0.00 C ATOM 731 O HIS A 44 0.701 -10.416 -1.828 1.00 0.00 O ATOM 732 CB HIS A 44 0.054 -12.637 0.305 1.00 0.00 C ATOM 733 CG HIS A 44 -0.327 -12.789 1.751 1.00 0.00 C ATOM 734 ND1 HIS A 44 0.599 -12.950 2.759 1.00 0.00 N ATOM 735 CD2 HIS A 44 -1.539 -12.810 2.358 1.00 0.00 C ATOM 736 CE1 HIS A 44 -0.024 -13.065 3.916 1.00 0.00 C ATOM 737 NE2 HIS A 44 -1.321 -12.982 3.702 1.00 0.00 N ATOM 0 H HIS A 44 -2.252 -13.227 -0.383 1.00 0.00 H new ATOM 0 HA HIS A 44 -0.984 -10.766 0.109 1.00 0.00 H new ATOM 0 HB2 HIS A 44 0.023 -13.616 -0.173 1.00 0.00 H new ATOM 0 HB3 HIS A 44 1.085 -12.287 0.247 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.499 -12.710 1.873 1.00 0.00 H new ATOM 0 HE1 HIS A 44 0.450 -13.204 4.877 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -2.045 -13.037 4.418 1.00 0.00 H new ATOM 746 N ALA A 45 -0.597 -11.914 -2.893 1.00 0.00 N ATOM 747 CA ALA A 45 -0.121 -11.544 -4.223 1.00 0.00 C ATOM 748 C ALA A 45 -0.642 -10.171 -4.614 1.00 0.00 C ATOM 749 O ALA A 45 0.108 -9.328 -5.107 1.00 0.00 O ATOM 750 CB ALA A 45 -0.541 -12.585 -5.247 1.00 0.00 C ATOM 0 H ALA A 45 -1.266 -12.684 -2.883 1.00 0.00 H new ATOM 0 HA ALA A 45 0.968 -11.504 -4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.178 -12.293 -6.232 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.118 -13.553 -4.976 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.628 -12.657 -5.268 1.00 0.00 H new ATOM 756 N HIS A 46 -1.925 -9.937 -4.378 1.00 0.00 N ATOM 757 CA HIS A 46 -2.509 -8.638 -4.660 1.00 0.00 C ATOM 758 C HIS A 46 -2.037 -7.631 -3.622 1.00 0.00 C ATOM 759 O HIS A 46 -2.022 -6.428 -3.875 1.00 0.00 O ATOM 760 CB HIS A 46 -4.036 -8.708 -4.696 1.00 0.00 C ATOM 761 CG HIS A 46 -4.617 -7.863 -5.786 1.00 0.00 C ATOM 762 ND1 HIS A 46 -5.469 -8.353 -6.747 1.00 0.00 N ATOM 763 CD2 HIS A 46 -4.437 -6.558 -6.080 1.00 0.00 C ATOM 764 CE1 HIS A 46 -5.777 -7.389 -7.591 1.00 0.00 C ATOM 765 NE2 HIS A 46 -5.162 -6.282 -7.213 1.00 0.00 N ATOM 0 H HIS A 46 -2.575 -10.624 -3.995 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.178 -8.316 -5.647 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.347 -9.743 -4.837 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.435 -8.383 -3.735 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.832 -5.857 -5.524 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.425 -7.487 -8.450 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.217 -5.378 -7.682 1.00 0.00 H new ATOM 774 N THR A 47 -1.664 -8.135 -2.450 1.00 0.00 N ATOM 775 CA THR A 47 -0.977 -7.329 -1.456 1.00 0.00 C ATOM 776 C THR A 47 0.301 -6.768 -2.058 1.00 0.00 C ATOM 777 O THR A 47 0.499 -5.558 -2.103 1.00 0.00 O ATOM 778 CB THR A 47 -0.622 -8.161 -0.207 1.00 0.00 C ATOM 779 OG1 THR A 47 -1.811 -8.673 0.404 1.00 0.00 O ATOM 780 CG2 THR A 47 0.163 -7.331 0.796 1.00 0.00 C ATOM 0 H THR A 47 -1.828 -9.101 -2.168 1.00 0.00 H new ATOM 0 HA THR A 47 -1.643 -6.521 -1.155 1.00 0.00 H new ATOM 0 HB THR A 47 0.003 -8.996 -0.524 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.307 -9.213 -0.247 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.400 -7.942 1.667 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.087 -6.982 0.335 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.435 -6.474 1.106 1.00 0.00 H new ATOM 788 N ARG A 48 1.150 -7.673 -2.534 1.00 0.00 N ATOM 789 CA ARG A 48 2.383 -7.311 -3.221 1.00 0.00 C ATOM 790 C ARG A 48 2.114 -6.300 -4.335 1.00 0.00 C ATOM 791 O ARG A 48 2.830 -5.309 -4.466 1.00 0.00 O ATOM 792 CB ARG A 48 3.031 -8.576 -3.788 1.00 0.00 C ATOM 793 CG ARG A 48 4.217 -8.321 -4.702 1.00 0.00 C ATOM 794 CD ARG A 48 4.900 -9.621 -5.093 1.00 0.00 C ATOM 795 NE ARG A 48 3.982 -10.570 -5.725 1.00 0.00 N ATOM 796 CZ ARG A 48 3.812 -11.828 -5.317 1.00 0.00 C ATOM 797 NH1 ARG A 48 4.448 -12.270 -4.238 1.00 0.00 N ATOM 798 NH2 ARG A 48 3.001 -12.640 -5.986 1.00 0.00 N ATOM 0 H ARG A 48 1.002 -8.679 -2.454 1.00 0.00 H new ATOM 0 HA ARG A 48 3.062 -6.842 -2.509 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.356 -9.205 -2.959 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.278 -9.139 -4.339 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.883 -7.799 -5.599 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.932 -7.668 -4.201 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.721 -9.405 -5.777 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.337 -10.079 -4.206 1.00 0.00 H new ATOM 0 HE ARG A 48 3.439 -10.249 -6.527 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.068 -11.647 -3.720 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.317 -13.233 -3.927 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.508 -12.301 -6.812 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.871 -13.602 -5.674 1.00 0.00 H new ATOM 812 N GLU A 49 1.068 -6.550 -5.115 1.00 0.00 N ATOM 813 CA GLU A 49 0.682 -5.653 -6.199 1.00 0.00 C ATOM 814 C GLU A 49 0.413 -4.236 -5.678 1.00 0.00 C ATOM 815 O GLU A 49 0.915 -3.253 -6.232 1.00 0.00 O ATOM 816 CB GLU A 49 -0.563 -6.190 -6.911 1.00 0.00 C ATOM 817 CG GLU A 49 -0.967 -5.358 -8.123 1.00 0.00 C ATOM 818 CD GLU A 49 -2.307 -5.756 -8.705 1.00 0.00 C ATOM 819 OE1 GLU A 49 -2.412 -6.869 -9.260 1.00 0.00 O ATOM 820 OE2 GLU A 49 -3.264 -4.958 -8.614 1.00 0.00 O ATOM 0 H GLU A 49 0.470 -7.370 -5.016 1.00 0.00 H new ATOM 0 HA GLU A 49 1.510 -5.606 -6.906 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.378 -7.216 -7.228 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.393 -6.219 -6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.001 -4.307 -7.838 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.201 -5.455 -8.893 1.00 0.00 H new ATOM 827 N PHE A 50 -0.369 -4.142 -4.607 1.00 0.00 N ATOM 828 CA PHE A 50 -0.734 -2.850 -4.038 1.00 0.00 C ATOM 829 C PHE A 50 0.441 -2.201 -3.317 1.00 0.00 C ATOM 830 O PHE A 50 0.605 -0.983 -3.358 1.00 0.00 O ATOM 831 CB PHE A 50 -1.923 -2.992 -3.082 1.00 0.00 C ATOM 832 CG PHE A 50 -3.239 -3.193 -3.779 1.00 0.00 C ATOM 833 CD1 PHE A 50 -3.411 -2.789 -5.095 1.00 0.00 C ATOM 834 CD2 PHE A 50 -4.311 -3.769 -3.115 1.00 0.00 C ATOM 835 CE1 PHE A 50 -4.623 -2.955 -5.734 1.00 0.00 C ATOM 836 CE2 PHE A 50 -5.526 -3.941 -3.751 1.00 0.00 C ATOM 837 CZ PHE A 50 -5.681 -3.531 -5.062 1.00 0.00 C ATOM 0 H PHE A 50 -0.762 -4.945 -4.116 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.022 -2.202 -4.866 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.743 -3.835 -2.415 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.985 -2.100 -2.458 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.586 -2.339 -5.626 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.195 -4.087 -2.089 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.743 -2.634 -6.758 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.353 -4.395 -3.225 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.630 -3.662 -5.560 1.00 0.00 H new ATOM 847 N ILE A 51 1.260 -3.006 -2.654 1.00 0.00 N ATOM 848 CA ILE A 51 2.422 -2.471 -1.959 1.00 0.00 C ATOM 849 C ILE A 51 3.424 -1.913 -2.967 1.00 0.00 C ATOM 850 O ILE A 51 3.953 -0.814 -2.790 1.00 0.00 O ATOM 851 CB ILE A 51 3.123 -3.527 -1.073 1.00 0.00 C ATOM 852 CG1 ILE A 51 2.148 -4.117 -0.054 1.00 0.00 C ATOM 853 CG2 ILE A 51 4.299 -2.898 -0.346 1.00 0.00 C ATOM 854 CD1 ILE A 51 2.782 -5.142 0.861 1.00 0.00 C ATOM 0 H ILE A 51 1.144 -4.017 -2.583 1.00 0.00 H new ATOM 0 HA ILE A 51 2.061 -1.677 -1.305 1.00 0.00 H new ATOM 0 HB ILE A 51 3.480 -4.329 -1.719 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.732 -3.310 0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.316 -4.580 -0.584 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.786 -3.649 0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.012 -2.511 -1.074 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.944 -2.082 0.283 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.034 -5.519 1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.173 -5.968 0.267 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.596 -4.678 1.418 1.00 0.00 H new ATOM 866 N GLN A 52 3.650 -2.665 -4.039 1.00 0.00 N ATOM 867 CA GLN A 52 4.603 -2.279 -5.072 1.00 0.00 C ATOM 868 C GLN A 52 4.232 -0.935 -5.695 1.00 0.00 C ATOM 869 O GLN A 52 5.093 -0.077 -5.895 1.00 0.00 O ATOM 870 CB GLN A 52 4.668 -3.349 -6.160 1.00 0.00 C ATOM 871 CG GLN A 52 6.066 -3.896 -6.398 1.00 0.00 C ATOM 872 CD GLN A 52 6.582 -4.711 -5.230 1.00 0.00 C ATOM 873 OE1 GLN A 52 6.394 -5.925 -5.179 1.00 0.00 O ATOM 874 NE2 GLN A 52 7.239 -4.052 -4.287 1.00 0.00 N ATOM 0 H GLN A 52 3.181 -3.553 -4.215 1.00 0.00 H new ATOM 0 HA GLN A 52 5.581 -2.181 -4.601 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.007 -4.172 -5.887 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.288 -2.930 -7.092 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.061 -4.516 -7.294 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.748 -3.067 -6.587 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.373 -3.044 -4.368 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.611 -4.553 -3.480 1.00 0.00 H new ATOM 883 N SER A 53 2.950 -0.756 -5.986 1.00 0.00 N ATOM 884 CA SER A 53 2.470 0.480 -6.589 1.00 0.00 C ATOM 885 C SER A 53 2.486 1.624 -5.575 1.00 0.00 C ATOM 886 O SER A 53 2.786 2.773 -5.919 1.00 0.00 O ATOM 887 CB SER A 53 1.067 0.271 -7.158 1.00 0.00 C ATOM 888 OG SER A 53 0.252 -0.450 -6.248 1.00 0.00 O ATOM 0 H SER A 53 2.224 -1.451 -5.814 1.00 0.00 H new ATOM 0 HA SER A 53 3.139 0.754 -7.405 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.611 1.237 -7.374 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.130 -0.270 -8.102 1.00 0.00 H new ATOM 0 HG SER A 53 0.398 -1.411 -6.369 1.00 0.00 H new ATOM 894 N PHE A 54 2.206 1.293 -4.316 1.00 0.00 N ATOM 895 CA PHE A 54 2.233 2.274 -3.236 1.00 0.00 C ATOM 896 C PHE A 54 3.656 2.793 -3.024 1.00 0.00 C ATOM 897 O PHE A 54 3.868 3.825 -2.392 1.00 0.00 O ATOM 898 CB PHE A 54 1.689 1.655 -1.941 1.00 0.00 C ATOM 899 CG PHE A 54 1.386 2.661 -0.864 1.00 0.00 C ATOM 900 CD1 PHE A 54 0.222 3.409 -0.909 1.00 0.00 C ATOM 901 CD2 PHE A 54 2.260 2.853 0.194 1.00 0.00 C ATOM 902 CE1 PHE A 54 -0.065 4.331 0.078 1.00 0.00 C ATOM 903 CE2 PHE A 54 1.979 3.774 1.184 1.00 0.00 C ATOM 904 CZ PHE A 54 0.815 4.515 1.126 1.00 0.00 C ATOM 0 H PHE A 54 1.957 0.349 -4.019 1.00 0.00 H new ATOM 0 HA PHE A 54 1.596 3.115 -3.513 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.781 1.098 -2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.415 0.937 -1.560 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.470 3.270 -1.726 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.171 2.276 0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.977 4.908 0.030 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.669 3.915 2.003 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.594 5.237 1.898 1.00 0.00 H new ATOM 914 N ILE A 55 4.629 2.058 -3.543 1.00 0.00 N ATOM 915 CA ILE A 55 6.011 2.518 -3.554 1.00 0.00 C ATOM 916 C ILE A 55 6.339 3.193 -4.893 1.00 0.00 C ATOM 917 O ILE A 55 7.196 4.073 -4.970 1.00 0.00 O ATOM 918 CB ILE A 55 6.989 1.342 -3.314 1.00 0.00 C ATOM 919 CG1 ILE A 55 6.634 0.612 -2.015 1.00 0.00 C ATOM 920 CG2 ILE A 55 8.430 1.833 -3.262 1.00 0.00 C ATOM 921 CD1 ILE A 55 7.458 -0.637 -1.773 1.00 0.00 C ATOM 0 H ILE A 55 4.487 1.139 -3.963 1.00 0.00 H new ATOM 0 HA ILE A 55 6.129 3.241 -2.747 1.00 0.00 H new ATOM 0 HB ILE A 55 6.894 0.647 -4.149 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.770 1.295 -1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.578 0.341 -2.038 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.097 0.987 -3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.685 2.313 -4.207 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.541 2.551 -2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.150 -1.100 -0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.303 -1.339 -2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.514 -0.371 -1.717 1.00 0.00 H new ATOM 933 N GLU A 56 5.617 2.801 -5.939 1.00 0.00 N ATOM 934 CA GLU A 56 5.935 3.227 -7.302 1.00 0.00 C ATOM 935 C GLU A 56 5.335 4.597 -7.634 1.00 0.00 C ATOM 936 O GLU A 56 5.594 5.140 -8.704 1.00 0.00 O ATOM 937 CB GLU A 56 5.440 2.187 -8.313 1.00 0.00 C ATOM 938 CG GLU A 56 6.019 2.370 -9.708 1.00 0.00 C ATOM 939 CD GLU A 56 5.407 1.437 -10.728 1.00 0.00 C ATOM 940 OE1 GLU A 56 5.899 0.298 -10.872 1.00 0.00 O ATOM 941 OE2 GLU A 56 4.435 1.840 -11.397 1.00 0.00 O ATOM 0 H GLU A 56 4.805 2.187 -5.870 1.00 0.00 H new ATOM 0 HA GLU A 56 7.020 3.315 -7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.694 1.191 -7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.353 2.237 -8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.864 3.401 -10.027 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.096 2.205 -9.673 1.00 0.00 H new ATOM 948 N ARG A 57 4.528 5.146 -6.728 1.00 0.00 N ATOM 949 CA ARG A 57 3.945 6.490 -6.920 1.00 0.00 C ATOM 950 C ARG A 57 4.997 7.496 -7.389 1.00 0.00 C ATOM 951 O ARG A 57 4.750 8.293 -8.291 1.00 0.00 O ATOM 952 CB ARG A 57 3.340 7.034 -5.624 1.00 0.00 C ATOM 953 CG ARG A 57 3.150 6.006 -4.530 1.00 0.00 C ATOM 954 CD ARG A 57 3.249 6.656 -3.160 1.00 0.00 C ATOM 955 NE ARG A 57 4.523 7.359 -2.997 1.00 0.00 N ATOM 956 CZ ARG A 57 5.399 7.116 -2.025 1.00 0.00 C ATOM 957 NH1 ARG A 57 5.164 6.166 -1.128 1.00 0.00 N ATOM 958 NH2 ARG A 57 6.529 7.807 -1.976 1.00 0.00 N ATOM 0 H ARG A 57 4.259 4.691 -5.856 1.00 0.00 H new ATOM 0 HA ARG A 57 3.169 6.373 -7.677 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.981 7.831 -5.247 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.374 7.484 -5.852 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.178 5.525 -4.641 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.905 5.225 -4.623 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.425 7.357 -3.027 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.149 5.895 -2.386 1.00 0.00 H new ATOM 0 HE ARG A 57 4.755 8.085 -3.675 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.307 5.616 -1.181 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.841 5.986 -0.386 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.722 8.519 -2.680 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.205 7.627 -1.234 1.00 0.00 H new ATOM 972 N ASP A 58 6.176 7.448 -6.776 1.00 0.00 N ATOM 973 CA ASP A 58 7.229 8.420 -7.061 1.00 0.00 C ATOM 974 C ASP A 58 7.849 8.218 -8.439 1.00 0.00 C ATOM 975 O ASP A 58 8.656 9.032 -8.884 1.00 0.00 O ATOM 976 CB ASP A 58 8.306 8.395 -5.976 1.00 0.00 C ATOM 977 CG ASP A 58 7.956 9.299 -4.807 1.00 0.00 C ATOM 978 OD1 ASP A 58 6.869 9.123 -4.215 1.00 0.00 O ATOM 979 OD2 ASP A 58 8.763 10.190 -4.478 1.00 0.00 O ATOM 0 H ASP A 58 6.427 6.747 -6.079 1.00 0.00 H new ATOM 0 HA ASP A 58 6.758 9.403 -7.062 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.437 7.374 -5.618 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.259 8.707 -6.403 1.00 0.00 H new ATOM 984 N ASP A 59 7.467 7.149 -9.125 1.00 0.00 N ATOM 985 CA ASP A 59 7.850 6.975 -10.520 1.00 0.00 C ATOM 986 C ASP A 59 7.153 8.038 -11.355 1.00 0.00 C ATOM 987 O ASP A 59 7.696 8.535 -12.340 1.00 0.00 O ATOM 988 CB ASP A 59 7.487 5.576 -11.027 1.00 0.00 C ATOM 989 CG ASP A 59 7.723 5.410 -12.517 1.00 0.00 C ATOM 990 OD1 ASP A 59 8.894 5.251 -12.927 1.00 0.00 O ATOM 991 OD2 ASP A 59 6.738 5.431 -13.283 1.00 0.00 O ATOM 0 H ASP A 59 6.897 6.395 -8.742 1.00 0.00 H new ATOM 0 HA ASP A 59 8.931 7.082 -10.607 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.075 4.835 -10.486 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.439 5.375 -10.805 1.00 0.00 H new ATOM 996 N THR A 60 5.955 8.402 -10.922 1.00 0.00 N ATOM 997 CA THR A 60 5.200 9.478 -11.538 1.00 0.00 C ATOM 998 C THR A 60 5.900 10.818 -11.296 1.00 0.00 C ATOM 999 O THR A 60 5.930 11.689 -12.170 1.00 0.00 O ATOM 1000 CB THR A 60 3.767 9.511 -10.971 1.00 0.00 C ATOM 1001 OG1 THR A 60 3.166 8.217 -11.120 1.00 0.00 O ATOM 1002 CG2 THR A 60 2.908 10.548 -11.675 1.00 0.00 C ATOM 0 H THR A 60 5.481 7.959 -10.135 1.00 0.00 H new ATOM 0 HA THR A 60 5.146 9.302 -12.612 1.00 0.00 H new ATOM 0 HB THR A 60 3.829 9.783 -9.917 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.255 8.236 -10.758 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.905 10.541 -11.247 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.351 11.536 -11.546 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.851 10.312 -12.738 1.00 0.00 H new ATOM 1010 N GLU A 61 6.485 10.963 -10.109 1.00 0.00 N ATOM 1011 CA GLU A 61 7.267 12.149 -9.775 1.00 0.00 C ATOM 1012 C GLU A 61 8.517 12.215 -10.639 1.00 0.00 C ATOM 1013 O GLU A 61 8.839 13.254 -11.216 1.00 0.00 O ATOM 1014 CB GLU A 61 7.673 12.131 -8.299 1.00 0.00 C ATOM 1015 CG GLU A 61 6.501 12.183 -7.338 1.00 0.00 C ATOM 1016 CD GLU A 61 5.637 13.406 -7.547 1.00 0.00 C ATOM 1017 OE1 GLU A 61 6.183 14.530 -7.572 1.00 0.00 O ATOM 1018 OE2 GLU A 61 4.408 13.249 -7.687 1.00 0.00 O ATOM 0 H GLU A 61 6.431 10.271 -9.361 1.00 0.00 H new ATOM 0 HA GLU A 61 6.648 13.026 -9.963 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.251 11.228 -8.103 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.329 12.979 -8.103 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.893 11.287 -7.462 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.874 12.176 -6.314 1.00 0.00 H new ATOM 1025 N LEU A 62 9.211 11.088 -10.729 1.00 0.00 N ATOM 1026 CA LEU A 62 10.427 10.990 -11.521 1.00 0.00 C ATOM 1027 C LEU A 62 10.128 11.253 -12.995 1.00 0.00 C ATOM 1028 O LEU A 62 10.940 11.839 -13.705 1.00 0.00 O ATOM 1029 CB LEU A 62 11.056 9.607 -11.338 1.00 0.00 C ATOM 1030 CG LEU A 62 12.448 9.430 -11.947 1.00 0.00 C ATOM 1031 CD1 LEU A 62 13.417 10.448 -11.364 1.00 0.00 C ATOM 1032 CD2 LEU A 62 12.952 8.017 -11.703 1.00 0.00 C ATOM 0 H LEU A 62 8.948 10.222 -10.258 1.00 0.00 H new ATOM 0 HA LEU A 62 11.134 11.746 -11.178 1.00 0.00 H new ATOM 0 HB2 LEU A 62 11.116 9.393 -10.271 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.390 8.863 -11.776 1.00 0.00 H new ATOM 0 HG LEU A 62 12.381 9.595 -13.022 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.403 10.308 -11.808 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.061 11.455 -11.581 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.483 10.311 -10.285 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.944 7.904 -12.141 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.006 7.830 -10.631 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.269 7.303 -12.162 1.00 0.00 H new ATOM 1044 N ASP A 63 8.951 10.824 -13.437 1.00 0.00 N ATOM 1045 CA ASP A 63 8.503 11.059 -14.808 1.00 0.00 C ATOM 1046 C ASP A 63 8.407 12.555 -15.096 1.00 0.00 C ATOM 1047 O ASP A 63 8.780 13.014 -16.175 1.00 0.00 O ATOM 1048 CB ASP A 63 7.148 10.383 -15.047 1.00 0.00 C ATOM 1049 CG ASP A 63 6.555 10.714 -16.402 1.00 0.00 C ATOM 1050 OD1 ASP A 63 7.184 10.393 -17.432 1.00 0.00 O ATOM 1051 OD2 ASP A 63 5.444 11.280 -16.444 1.00 0.00 O ATOM 0 H ASP A 63 8.285 10.308 -12.862 1.00 0.00 H new ATOM 0 HA ASP A 63 9.236 10.626 -15.488 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.266 9.303 -14.962 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.452 10.690 -14.266 1.00 0.00 H new ATOM 1056 N GLU A 64 7.923 13.308 -14.114 1.00 0.00 N ATOM 1057 CA GLU A 64 7.848 14.761 -14.221 1.00 0.00 C ATOM 1058 C GLU A 64 9.243 15.377 -14.257 1.00 0.00 C ATOM 1059 O GLU A 64 9.484 16.345 -14.977 1.00 0.00 O ATOM 1060 CB GLU A 64 7.048 15.344 -13.056 1.00 0.00 C ATOM 1061 CG GLU A 64 5.549 15.140 -13.180 1.00 0.00 C ATOM 1062 CD GLU A 64 4.958 15.922 -14.334 1.00 0.00 C ATOM 1063 OE1 GLU A 64 4.676 17.130 -14.159 1.00 0.00 O ATOM 1064 OE2 GLU A 64 4.772 15.344 -15.420 1.00 0.00 O ATOM 0 H GLU A 64 7.575 12.934 -13.231 1.00 0.00 H new ATOM 0 HA GLU A 64 7.339 15.003 -15.154 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.392 14.888 -12.127 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.255 16.412 -12.983 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.339 14.079 -13.317 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.065 15.444 -12.252 1.00 0.00 H new ATOM 1071 N LEU A 65 10.158 14.814 -13.477 1.00 0.00 N ATOM 1072 CA LEU A 65 11.540 15.279 -13.464 1.00 0.00 C ATOM 1073 C LEU A 65 12.201 15.026 -14.813 1.00 0.00 C ATOM 1074 O LEU A 65 12.990 15.836 -15.294 1.00 0.00 O ATOM 1075 CB LEU A 65 12.335 14.583 -12.359 1.00 0.00 C ATOM 1076 CG LEU A 65 11.832 14.830 -10.937 1.00 0.00 C ATOM 1077 CD1 LEU A 65 12.721 14.124 -9.931 1.00 0.00 C ATOM 1078 CD2 LEU A 65 11.779 16.318 -10.640 1.00 0.00 C ATOM 0 H LEU A 65 9.968 14.036 -12.846 1.00 0.00 H new ATOM 0 HA LEU A 65 11.533 16.351 -13.268 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.326 13.510 -12.549 1.00 0.00 H new ATOM 0 HB3 LEU A 65 13.373 14.909 -12.421 1.00 0.00 H new ATOM 0 HG LEU A 65 10.823 14.425 -10.855 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.349 14.310 -8.923 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.714 13.052 -10.128 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.740 14.502 -10.017 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.419 16.473 -9.623 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.777 16.745 -10.740 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.103 16.805 -11.343 1.00 0.00 H new ATOM 1267 N PRO A 75 17.414 18.145 -14.000 1.00 0.00 N ATOM 1268 CA PRO A 75 17.509 17.935 -12.553 1.00 0.00 C ATOM 1269 C PRO A 75 18.581 16.909 -12.181 1.00 0.00 C ATOM 1270 O PRO A 75 18.301 15.948 -11.470 1.00 0.00 O ATOM 1271 CB PRO A 75 16.121 17.406 -12.192 1.00 0.00 C ATOM 1272 CG PRO A 75 15.659 16.700 -13.418 1.00 0.00 C ATOM 1273 CD PRO A 75 16.251 17.450 -14.583 1.00 0.00 C ATOM 0 HA PRO A 75 17.792 18.845 -12.024 1.00 0.00 H new ATOM 0 HB2 PRO A 75 16.164 16.730 -11.338 1.00 0.00 H new ATOM 0 HB3 PRO A 75 15.445 18.218 -11.923 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.988 15.661 -13.416 1.00 0.00 H new ATOM 0 HG3 PRO A 75 14.571 16.689 -13.474 1.00 0.00 H new ATOM 0 HD2 PRO A 75 16.549 16.774 -15.384 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.537 18.154 -15.010 1.00 0.00 H new ATOM 1281 N SER A 76 19.806 17.149 -12.639 1.00 0.00 N ATOM 1282 CA SER A 76 20.922 16.223 -12.444 1.00 0.00 C ATOM 1283 C SER A 76 21.027 15.751 -10.989 1.00 0.00 C ATOM 1284 O SER A 76 21.157 14.554 -10.725 1.00 0.00 O ATOM 1285 CB SER A 76 22.229 16.902 -12.880 1.00 0.00 C ATOM 1286 OG SER A 76 23.322 15.996 -12.876 1.00 0.00 O ATOM 0 H SER A 76 20.055 17.992 -13.157 1.00 0.00 H new ATOM 0 HA SER A 76 20.742 15.340 -13.057 1.00 0.00 H new ATOM 0 HB2 SER A 76 22.106 17.318 -13.880 1.00 0.00 H new ATOM 0 HB3 SER A 76 22.446 17.736 -12.212 1.00 0.00 H new ATOM 0 HG SER A 76 24.135 16.463 -13.160 1.00 0.00 H new ATOM 1292 N ASN A 77 20.945 16.689 -10.056 1.00 0.00 N ATOM 1293 CA ASN A 77 21.053 16.371 -8.635 1.00 0.00 C ATOM 1294 C ASN A 77 19.718 15.886 -8.072 1.00 0.00 C ATOM 1295 O ASN A 77 19.641 14.823 -7.453 1.00 0.00 O ATOM 1296 CB ASN A 77 21.527 17.605 -7.859 1.00 0.00 C ATOM 1297 CG ASN A 77 21.531 17.398 -6.353 1.00 0.00 C ATOM 1298 OD1 ASN A 77 21.801 16.303 -5.857 1.00 0.00 O ATOM 1299 ND2 ASN A 77 21.225 18.455 -5.619 1.00 0.00 N ATOM 0 H ASN A 77 20.804 17.679 -10.256 1.00 0.00 H new ATOM 0 HA ASN A 77 21.781 15.567 -8.523 1.00 0.00 H new ATOM 0 HB2 ASN A 77 22.533 17.868 -8.186 1.00 0.00 H new ATOM 0 HB3 ASN A 77 20.882 18.449 -8.102 1.00 0.00 H new ATOM 0 HD21 ASN A 77 21.206 18.381 -4.602 1.00 0.00 H new ATOM 0 HD22 ASN A 77 21.008 19.344 -6.070 1.00 0.00 H new ATOM 1306 N ARG A 78 18.664 16.661 -8.309 1.00 0.00 N ATOM 1307 CA ARG A 78 17.359 16.401 -7.701 1.00 0.00 C ATOM 1308 C ARG A 78 16.744 15.085 -8.181 1.00 0.00 C ATOM 1309 O ARG A 78 15.965 14.463 -7.459 1.00 0.00 O ATOM 1310 CB ARG A 78 16.404 17.565 -7.974 1.00 0.00 C ATOM 1311 CG ARG A 78 16.852 18.870 -7.334 1.00 0.00 C ATOM 1312 CD ARG A 78 15.871 19.999 -7.603 1.00 0.00 C ATOM 1313 NE ARG A 78 16.289 21.251 -6.970 1.00 0.00 N ATOM 1314 CZ ARG A 78 15.544 22.354 -6.931 1.00 0.00 C ATOM 1315 NH1 ARG A 78 14.352 22.381 -7.510 1.00 0.00 N ATOM 1316 NH2 ARG A 78 15.998 23.437 -6.316 1.00 0.00 N ATOM 0 H ARG A 78 18.686 17.478 -8.920 1.00 0.00 H new ATOM 0 HA ARG A 78 17.518 16.308 -6.627 1.00 0.00 H new ATOM 0 HB2 ARG A 78 16.314 17.708 -9.051 1.00 0.00 H new ATOM 0 HB3 ARG A 78 15.412 17.307 -7.603 1.00 0.00 H new ATOM 0 HG2 ARG A 78 16.958 18.729 -6.258 1.00 0.00 H new ATOM 0 HG3 ARG A 78 17.835 19.144 -7.718 1.00 0.00 H new ATOM 0 HD2 ARG A 78 15.778 20.150 -8.678 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.885 19.718 -7.234 1.00 0.00 H new ATOM 0 HE ARG A 78 17.209 21.280 -6.531 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.999 21.553 -7.990 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.787 23.230 -7.476 1.00 0.00 H new ATOM 0 HH21 ARG A 78 16.917 23.425 -5.873 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.428 24.283 -6.285 1.00 0.00 H new ATOM 1330 N GLN A 79 17.100 14.658 -9.387 1.00 0.00 N ATOM 1331 CA GLN A 79 16.604 13.395 -9.934 1.00 0.00 C ATOM 1332 C GLN A 79 17.068 12.226 -9.071 1.00 0.00 C ATOM 1333 O GLN A 79 16.333 11.261 -8.854 1.00 0.00 O ATOM 1334 CB GLN A 79 17.096 13.215 -11.371 1.00 0.00 C ATOM 1335 CG GLN A 79 16.555 11.973 -12.059 1.00 0.00 C ATOM 1336 CD GLN A 79 17.083 11.817 -13.471 1.00 0.00 C ATOM 1337 OE1 GLN A 79 17.391 12.798 -14.146 1.00 0.00 O ATOM 1338 NE2 GLN A 79 17.188 10.582 -13.929 1.00 0.00 N ATOM 0 H GLN A 79 17.731 15.166 -10.007 1.00 0.00 H new ATOM 0 HA GLN A 79 15.514 13.418 -9.934 1.00 0.00 H new ATOM 0 HB2 GLN A 79 16.814 14.092 -11.953 1.00 0.00 H new ATOM 0 HB3 GLN A 79 18.185 13.171 -11.368 1.00 0.00 H new ATOM 0 HG2 GLN A 79 16.822 11.092 -11.475 1.00 0.00 H new ATOM 0 HG3 GLN A 79 15.466 12.020 -12.084 1.00 0.00 H new ATOM 0 HE21 GLN A 79 16.922 9.794 -13.338 1.00 0.00 H new ATOM 0 HE22 GLN A 79 17.535 10.416 -14.874 1.00 0.00 H new ATOM 1347 N VAL A 80 18.290 12.333 -8.564 1.00 0.00 N ATOM 1348 CA VAL A 80 18.860 11.305 -7.707 1.00 0.00 C ATOM 1349 C VAL A 80 18.155 11.289 -6.355 1.00 0.00 C ATOM 1350 O VAL A 80 17.909 10.228 -5.782 1.00 0.00 O ATOM 1351 CB VAL A 80 20.372 11.527 -7.500 1.00 0.00 C ATOM 1352 CG1 VAL A 80 20.968 10.452 -6.605 1.00 0.00 C ATOM 1353 CG2 VAL A 80 21.090 11.559 -8.838 1.00 0.00 C ATOM 0 H VAL A 80 18.907 13.127 -8.734 1.00 0.00 H new ATOM 0 HA VAL A 80 18.716 10.344 -8.201 1.00 0.00 H new ATOM 0 HB VAL A 80 20.506 12.489 -7.006 1.00 0.00 H new ATOM 0 HG11 VAL A 80 22.035 10.635 -6.477 1.00 0.00 H new ATOM 0 HG12 VAL A 80 20.477 10.475 -5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 80 20.820 9.474 -7.063 1.00 0.00 H new ATOM 0 HG21 VAL A 80 22.156 11.716 -8.675 1.00 0.00 H new ATOM 0 HG22 VAL A 80 20.938 10.612 -9.355 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.692 12.372 -9.445 1.00 0.00 H new ATOM 1363 N LEU A 81 17.815 12.473 -5.864 1.00 0.00 N ATOM 1364 CA LEU A 81 17.148 12.606 -4.575 1.00 0.00 C ATOM 1365 C LEU A 81 15.763 11.972 -4.619 1.00 0.00 C ATOM 1366 O LEU A 81 15.302 11.391 -3.635 1.00 0.00 O ATOM 1367 CB LEU A 81 17.027 14.078 -4.181 1.00 0.00 C ATOM 1368 CG LEU A 81 18.344 14.854 -4.125 1.00 0.00 C ATOM 1369 CD1 LEU A 81 18.095 16.268 -3.639 1.00 0.00 C ATOM 1370 CD2 LEU A 81 19.347 14.156 -3.222 1.00 0.00 C ATOM 0 H LEU A 81 17.991 13.358 -6.340 1.00 0.00 H new ATOM 0 HA LEU A 81 17.751 12.088 -3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.364 14.573 -4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.549 14.136 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 81 18.762 14.893 -5.131 1.00 0.00 H new ATOM 0 HD11 LEU A 81 19.039 16.812 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 81 17.412 16.772 -4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 81 17.655 16.238 -2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 81 20.275 14.727 -3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 81 18.940 14.084 -2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 81 19.547 13.155 -3.605 1.00 0.00 H new ATOM 1382 N LEU A 82 15.108 12.086 -5.768 1.00 0.00 N ATOM 1383 CA LEU A 82 13.807 11.464 -5.971 1.00 0.00 C ATOM 1384 C LEU A 82 13.939 9.953 -5.817 1.00 0.00 C ATOM 1385 O LEU A 82 13.153 9.314 -5.117 1.00 0.00 O ATOM 1386 CB LEU A 82 13.264 11.828 -7.362 1.00 0.00 C ATOM 1387 CG LEU A 82 11.754 11.640 -7.579 1.00 0.00 C ATOM 1388 CD1 LEU A 82 11.374 10.168 -7.628 1.00 0.00 C ATOM 1389 CD2 LEU A 82 10.967 12.359 -6.494 1.00 0.00 C ATOM 0 H LEU A 82 15.458 12.604 -6.574 1.00 0.00 H new ATOM 0 HA LEU A 82 13.103 11.832 -5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 82 13.510 12.871 -7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 82 13.793 11.228 -8.102 1.00 0.00 H new ATOM 0 HG LEU A 82 11.501 12.078 -8.545 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.299 10.075 -7.783 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.902 9.683 -8.449 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.648 9.690 -6.688 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.900 12.216 -6.663 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.238 11.954 -5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.199 13.424 -6.521 1.00 0.00 H new ATOM 1401 N GLN A 83 14.957 9.391 -6.457 1.00 0.00 N ATOM 1402 CA GLN A 83 15.222 7.962 -6.358 1.00 0.00 C ATOM 1403 C GLN A 83 15.524 7.580 -4.913 1.00 0.00 C ATOM 1404 O GLN A 83 15.066 6.546 -4.429 1.00 0.00 O ATOM 1405 CB GLN A 83 16.391 7.563 -7.260 1.00 0.00 C ATOM 1406 CG GLN A 83 16.665 6.067 -7.255 1.00 0.00 C ATOM 1407 CD GLN A 83 17.885 5.686 -8.067 1.00 0.00 C ATOM 1408 OE1 GLN A 83 18.232 6.345 -9.048 1.00 0.00 O ATOM 1409 NE2 GLN A 83 18.546 4.618 -7.657 1.00 0.00 N ATOM 0 H GLN A 83 15.611 9.902 -7.049 1.00 0.00 H new ATOM 0 HA GLN A 83 14.332 7.427 -6.689 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.181 7.884 -8.280 1.00 0.00 H new ATOM 0 HB3 GLN A 83 17.288 8.092 -6.937 1.00 0.00 H new ATOM 0 HG2 GLN A 83 16.801 5.732 -6.227 1.00 0.00 H new ATOM 0 HG3 GLN A 83 15.795 5.543 -7.649 1.00 0.00 H new ATOM 0 HE21 GLN A 83 18.223 4.101 -6.839 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.379 4.310 -8.159 1.00 0.00 H new ATOM 1418 N GLN A 84 16.277 8.435 -4.225 1.00 0.00 N ATOM 1419 CA GLN A 84 16.626 8.213 -2.824 1.00 0.00 C ATOM 1420 C GLN A 84 15.381 8.116 -1.945 1.00 0.00 C ATOM 1421 O GLN A 84 15.366 7.374 -0.959 1.00 0.00 O ATOM 1422 CB GLN A 84 17.549 9.324 -2.314 1.00 0.00 C ATOM 1423 CG GLN A 84 18.972 9.215 -2.841 1.00 0.00 C ATOM 1424 CD GLN A 84 19.904 10.238 -2.222 1.00 0.00 C ATOM 1425 OE1 GLN A 84 19.490 11.334 -1.857 1.00 0.00 O ATOM 1426 NE2 GLN A 84 21.171 9.880 -2.088 1.00 0.00 N ATOM 0 H GLN A 84 16.660 9.294 -4.619 1.00 0.00 H new ATOM 0 HA GLN A 84 17.154 7.261 -2.765 1.00 0.00 H new ATOM 0 HB2 GLN A 84 17.136 10.291 -2.602 1.00 0.00 H new ATOM 0 HB3 GLN A 84 17.570 9.298 -1.225 1.00 0.00 H new ATOM 0 HG2 GLN A 84 19.354 8.214 -2.641 1.00 0.00 H new ATOM 0 HG3 GLN A 84 18.965 9.343 -3.923 1.00 0.00 H new ATOM 0 HE21 GLN A 84 21.477 8.960 -2.404 1.00 0.00 H new ATOM 0 HE22 GLN A 84 21.841 10.524 -1.669 1.00 0.00 H new ATOM 1435 N ARG A 85 14.339 8.856 -2.310 1.00 0.00 N ATOM 1436 CA ARG A 85 13.075 8.811 -1.582 1.00 0.00 C ATOM 1437 C ARG A 85 12.458 7.419 -1.667 1.00 0.00 C ATOM 1438 O ARG A 85 12.157 6.800 -0.644 1.00 0.00 O ATOM 1439 CB ARG A 85 12.095 9.852 -2.137 1.00 0.00 C ATOM 1440 CG ARG A 85 10.719 9.803 -1.487 1.00 0.00 C ATOM 1441 CD ARG A 85 10.786 10.137 -0.006 1.00 0.00 C ATOM 1442 NE ARG A 85 9.501 9.938 0.663 1.00 0.00 N ATOM 1443 CZ ARG A 85 9.035 10.721 1.637 1.00 0.00 C ATOM 1444 NH1 ARG A 85 9.725 11.788 2.025 1.00 0.00 N ATOM 1445 NH2 ARG A 85 7.873 10.456 2.218 1.00 0.00 N ATOM 0 H ARG A 85 14.345 9.494 -3.106 1.00 0.00 H new ATOM 0 HA ARG A 85 13.277 9.043 -0.536 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.518 10.847 -1.998 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.986 9.699 -3.211 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.054 10.506 -1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.290 8.809 -1.617 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.543 9.514 0.471 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.101 11.173 0.117 1.00 0.00 H new ATOM 0 HE ARG A 85 8.925 9.151 0.366 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.614 12.011 1.578 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.365 12.385 2.770 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.327 9.647 1.921 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.525 11.061 2.962 1.00 0.00 H new ATOM 1459 N ARG A 86 12.298 6.922 -2.890 1.00 0.00 N ATOM 1460 CA ARG A 86 11.698 5.609 -3.102 1.00 0.00 C ATOM 1461 C ARG A 86 12.615 4.523 -2.553 1.00 0.00 C ATOM 1462 O ARG A 86 12.155 3.505 -2.042 1.00 0.00 O ATOM 1463 CB ARG A 86 11.416 5.368 -4.591 1.00 0.00 C ATOM 1464 CG ARG A 86 10.622 4.096 -4.849 1.00 0.00 C ATOM 1465 CD ARG A 86 10.259 3.927 -6.316 1.00 0.00 C ATOM 1466 NE ARG A 86 11.415 3.600 -7.151 1.00 0.00 N ATOM 1467 CZ ARG A 86 11.409 2.645 -8.083 1.00 0.00 C ATOM 1468 NH1 ARG A 86 10.335 1.883 -8.262 1.00 0.00 N ATOM 1469 NH2 ARG A 86 12.487 2.426 -8.823 1.00 0.00 N ATOM 0 H ARG A 86 12.574 7.405 -3.745 1.00 0.00 H new ATOM 0 HA ARG A 86 10.748 5.575 -2.569 1.00 0.00 H new ATOM 0 HB2 ARG A 86 10.868 6.220 -4.993 1.00 0.00 H new ATOM 0 HB3 ARG A 86 12.362 5.315 -5.130 1.00 0.00 H new ATOM 0 HG2 ARG A 86 11.204 3.235 -4.520 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.711 4.112 -4.251 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.512 3.139 -6.413 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.801 4.847 -6.681 1.00 0.00 H new ATOM 0 HE ARG A 86 12.274 4.132 -7.013 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.506 2.026 -7.685 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.339 1.155 -8.977 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.326 2.989 -8.681 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.478 1.695 -9.534 1.00 0.00 H new ATOM 1483 N ASP A 87 13.916 4.767 -2.654 1.00 0.00 N ATOM 1484 CA ASP A 87 14.930 3.858 -2.127 1.00 0.00 C ATOM 1485 C ASP A 87 14.738 3.643 -0.626 1.00 0.00 C ATOM 1486 O ASP A 87 14.724 2.507 -0.144 1.00 0.00 O ATOM 1487 CB ASP A 87 16.323 4.433 -2.402 1.00 0.00 C ATOM 1488 CG ASP A 87 17.439 3.571 -1.851 1.00 0.00 C ATOM 1489 OD1 ASP A 87 17.845 3.786 -0.691 1.00 0.00 O ATOM 1490 OD2 ASP A 87 17.926 2.684 -2.583 1.00 0.00 O ATOM 0 H ASP A 87 14.299 5.599 -3.103 1.00 0.00 H new ATOM 0 HA ASP A 87 14.829 2.893 -2.624 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.457 4.547 -3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.391 5.429 -1.965 1.00 0.00 H new ATOM 1495 N GLN A 88 14.568 4.742 0.100 1.00 0.00 N ATOM 1496 CA GLN A 88 14.395 4.690 1.546 1.00 0.00 C ATOM 1497 C GLN A 88 13.107 3.966 1.912 1.00 0.00 C ATOM 1498 O GLN A 88 13.113 3.054 2.742 1.00 0.00 O ATOM 1499 CB GLN A 88 14.386 6.104 2.130 1.00 0.00 C ATOM 1500 CG GLN A 88 14.161 6.140 3.633 1.00 0.00 C ATOM 1501 CD GLN A 88 14.132 7.551 4.184 1.00 0.00 C ATOM 1502 OE1 GLN A 88 14.783 8.453 3.656 1.00 0.00 O ATOM 1503 NE2 GLN A 88 13.381 7.755 5.251 1.00 0.00 N ATOM 0 H GLN A 88 14.546 5.684 -0.292 1.00 0.00 H new ATOM 0 HA GLN A 88 15.233 4.136 1.969 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.335 6.589 1.901 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.605 6.686 1.640 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.220 5.643 3.868 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.952 5.576 4.129 1.00 0.00 H new ATOM 0 HE21 GLN A 88 12.856 6.982 5.660 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.326 8.685 5.666 1.00 0.00 H new ATOM 1512 N GLU A 89 12.009 4.368 1.285 1.00 0.00 N ATOM 1513 CA GLU A 89 10.715 3.759 1.558 1.00 0.00 C ATOM 1514 C GLU A 89 10.733 2.274 1.223 1.00 0.00 C ATOM 1515 O GLU A 89 10.169 1.463 1.953 1.00 0.00 O ATOM 1516 CB GLU A 89 9.605 4.471 0.785 1.00 0.00 C ATOM 1517 CG GLU A 89 9.362 5.892 1.265 1.00 0.00 C ATOM 1518 CD GLU A 89 8.148 6.527 0.622 1.00 0.00 C ATOM 1519 OE1 GLU A 89 7.041 5.962 0.748 1.00 0.00 O ATOM 1520 OE2 GLU A 89 8.282 7.606 0.013 1.00 0.00 O ATOM 0 H GLU A 89 11.989 5.111 0.586 1.00 0.00 H new ATOM 0 HA GLU A 89 10.512 3.866 2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.863 4.491 -0.274 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.681 3.899 0.878 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.234 5.888 2.348 1.00 0.00 H new ATOM 0 HG3 GLU A 89 10.241 6.499 1.050 1.00 0.00 H new ATOM 1527 N LEU A 90 11.407 1.922 0.132 1.00 0.00 N ATOM 1528 CA LEU A 90 11.547 0.528 -0.270 1.00 0.00 C ATOM 1529 C LEU A 90 12.166 -0.293 0.858 1.00 0.00 C ATOM 1530 O LEU A 90 11.738 -1.415 1.127 1.00 0.00 O ATOM 1531 CB LEU A 90 12.411 0.423 -1.531 1.00 0.00 C ATOM 1532 CG LEU A 90 12.584 -0.991 -2.093 1.00 0.00 C ATOM 1533 CD1 LEU A 90 11.245 -1.563 -2.531 1.00 0.00 C ATOM 1534 CD2 LEU A 90 13.566 -0.981 -3.255 1.00 0.00 C ATOM 0 H LEU A 90 11.866 2.587 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 90 10.556 0.131 -0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 90 11.972 1.052 -2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 90 13.397 0.831 -1.310 1.00 0.00 H new ATOM 0 HG LEU A 90 12.985 -1.628 -1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.391 -2.568 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.570 -1.604 -1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 90 10.813 -0.927 -3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 90 13.679 -1.993 -3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 90 13.190 -0.329 -4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 90 14.533 -0.614 -2.911 1.00 0.00 H new ATOM 1546 N LYS A 91 13.156 0.282 1.532 1.00 0.00 N ATOM 1547 CA LYS A 91 13.817 -0.399 2.636 1.00 0.00 C ATOM 1548 C LYS A 91 12.876 -0.521 3.836 1.00 0.00 C ATOM 1549 O LYS A 91 12.904 -1.517 4.559 1.00 0.00 O ATOM 1550 CB LYS A 91 15.094 0.346 3.036 1.00 0.00 C ATOM 1551 CG LYS A 91 15.927 -0.387 4.077 1.00 0.00 C ATOM 1552 CD LYS A 91 17.209 0.365 4.398 1.00 0.00 C ATOM 1553 CE LYS A 91 18.078 -0.408 5.377 1.00 0.00 C ATOM 1554 NZ LYS A 91 19.355 0.297 5.660 1.00 0.00 N ATOM 0 H LYS A 91 13.517 1.215 1.333 1.00 0.00 H new ATOM 0 HA LYS A 91 14.087 -1.402 2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 91 15.702 0.511 2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.825 1.328 3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 91 15.342 -0.515 4.988 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.171 -1.385 3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.766 0.545 3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.964 1.340 4.819 1.00 0.00 H new ATOM 0 HE2 LYS A 91 17.531 -0.557 6.308 1.00 0.00 H new ATOM 0 HE3 LYS A 91 18.291 -1.397 4.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 19.919 -0.262 6.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 19.889 0.417 4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 19.152 1.230 6.071 1.00 0.00 H new ATOM 1568 N GLU A 92 12.037 0.491 4.034 1.00 0.00 N ATOM 1569 CA GLU A 92 11.089 0.494 5.143 1.00 0.00 C ATOM 1570 C GLU A 92 10.014 -0.572 4.936 1.00 0.00 C ATOM 1571 O GLU A 92 9.679 -1.316 5.859 1.00 0.00 O ATOM 1572 CB GLU A 92 10.451 1.879 5.302 1.00 0.00 C ATOM 1573 CG GLU A 92 9.533 1.992 6.510 1.00 0.00 C ATOM 1574 CD GLU A 92 9.058 3.410 6.756 1.00 0.00 C ATOM 1575 OE1 GLU A 92 9.830 4.202 7.340 1.00 0.00 O ATOM 1576 OE2 GLU A 92 7.918 3.738 6.376 1.00 0.00 O ATOM 0 H GLU A 92 11.994 1.320 3.441 1.00 0.00 H new ATOM 0 HA GLU A 92 11.632 0.259 6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 92 11.240 2.626 5.385 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.883 2.114 4.402 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.669 1.344 6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.058 1.631 7.394 1.00 0.00 H new ATOM 1583 N PHE A 93 9.492 -0.656 3.716 1.00 0.00 N ATOM 1584 CA PHE A 93 8.495 -1.669 3.380 1.00 0.00 C ATOM 1585 C PHE A 93 9.106 -3.066 3.437 1.00 0.00 C ATOM 1586 O PHE A 93 8.436 -4.038 3.787 1.00 0.00 O ATOM 1587 CB PHE A 93 7.904 -1.414 1.990 1.00 0.00 C ATOM 1588 CG PHE A 93 6.903 -0.292 1.946 1.00 0.00 C ATOM 1589 CD1 PHE A 93 7.316 1.026 1.845 1.00 0.00 C ATOM 1590 CD2 PHE A 93 5.547 -0.559 1.999 1.00 0.00 C ATOM 1591 CE1 PHE A 93 6.398 2.056 1.801 1.00 0.00 C ATOM 1592 CE2 PHE A 93 4.623 0.467 1.954 1.00 0.00 C ATOM 1593 CZ PHE A 93 5.050 1.775 1.856 1.00 0.00 C ATOM 0 H PHE A 93 9.742 -0.037 2.945 1.00 0.00 H new ATOM 0 HA PHE A 93 7.693 -1.605 4.116 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.715 -1.190 1.297 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.426 -2.328 1.637 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.371 1.251 1.800 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.207 -1.581 2.076 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.735 3.079 1.724 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.567 0.245 1.996 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.329 2.578 1.822 1.00 0.00 H new ATOM 1603 N LYS A 94 10.386 -3.152 3.091 1.00 0.00 N ATOM 1604 CA LYS A 94 11.117 -4.412 3.135 1.00 0.00 C ATOM 1605 C LYS A 94 11.327 -4.873 4.577 1.00 0.00 C ATOM 1606 O LYS A 94 11.364 -6.070 4.854 1.00 0.00 O ATOM 1607 CB LYS A 94 12.471 -4.255 2.437 1.00 0.00 C ATOM 1608 CG LYS A 94 13.386 -5.459 2.594 1.00 0.00 C ATOM 1609 CD LYS A 94 14.760 -5.190 2.012 1.00 0.00 C ATOM 1610 CE LYS A 94 15.750 -6.277 2.395 1.00 0.00 C ATOM 1611 NZ LYS A 94 17.106 -5.998 1.855 1.00 0.00 N ATOM 0 H LYS A 94 10.942 -2.357 2.775 1.00 0.00 H new ATOM 0 HA LYS A 94 10.527 -5.167 2.616 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.303 -4.074 1.375 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.974 -3.374 2.835 1.00 0.00 H new ATOM 0 HG2 LYS A 94 13.480 -5.711 3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.942 -6.322 2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 94 14.690 -5.126 0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 94 15.123 -4.225 2.365 1.00 0.00 H new ATOM 0 HE2 LYS A 94 15.800 -6.358 3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 94 15.399 -7.238 2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 17.755 -6.760 2.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 17.062 -5.945 0.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 17.451 -5.093 2.233 1.00 0.00 H new ATOM 1625 N ALA A 95 11.448 -3.917 5.490 1.00 0.00 N ATOM 1626 CA ALA A 95 11.710 -4.220 6.894 1.00 0.00 C ATOM 1627 C ALA A 95 10.461 -4.740 7.601 1.00 0.00 C ATOM 1628 O ALA A 95 10.510 -5.115 8.774 1.00 0.00 O ATOM 1629 CB ALA A 95 12.244 -2.987 7.605 1.00 0.00 C ATOM 0 H ALA A 95 11.369 -2.921 5.283 1.00 0.00 H new ATOM 0 HA ALA A 95 12.462 -5.008 6.930 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.436 -3.225 8.651 1.00 0.00 H new ATOM 0 HB2 ALA A 95 13.171 -2.666 7.130 1.00 0.00 H new ATOM 0 HB3 ALA A 95 11.509 -2.185 7.544 1.00 0.00 H new ATOM 1635 N GLY A 96 9.350 -4.769 6.886 1.00 0.00 N ATOM 1636 CA GLY A 96 8.111 -5.226 7.469 1.00 0.00 C ATOM 1637 C GLY A 96 7.179 -4.075 7.764 1.00 0.00 C ATOM 1638 O GLY A 96 7.077 -3.621 8.901 1.00 0.00 O ATOM 0 H GLY A 96 9.285 -4.483 5.909 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.624 -5.925 6.789 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.320 -5.771 8.390 1.00 0.00 H new ATOM 1642 N PHE A 97 6.502 -3.597 6.733 1.00 0.00 N ATOM 1643 CA PHE A 97 5.610 -2.460 6.872 1.00 0.00 C ATOM 1644 C PHE A 97 4.255 -2.918 7.404 1.00 0.00 C ATOM 1645 O PHE A 97 3.842 -4.053 7.159 1.00 0.00 O ATOM 1646 CB PHE A 97 5.446 -1.758 5.522 1.00 0.00 C ATOM 1647 CG PHE A 97 4.873 -0.375 5.623 1.00 0.00 C ATOM 1648 CD1 PHE A 97 5.678 0.692 5.987 1.00 0.00 C ATOM 1649 CD2 PHE A 97 3.536 -0.138 5.352 1.00 0.00 C ATOM 1650 CE1 PHE A 97 5.161 1.968 6.079 1.00 0.00 C ATOM 1651 CE2 PHE A 97 3.014 1.137 5.443 1.00 0.00 C ATOM 1652 CZ PHE A 97 3.827 2.191 5.806 1.00 0.00 C ATOM 0 H PHE A 97 6.554 -3.980 5.789 1.00 0.00 H new ATOM 0 HA PHE A 97 6.040 -1.754 7.583 1.00 0.00 H new ATOM 0 HB2 PHE A 97 6.418 -1.703 5.031 1.00 0.00 H new ATOM 0 HB3 PHE A 97 4.801 -2.363 4.885 1.00 0.00 H new ATOM 0 HD1 PHE A 97 6.723 0.523 6.201 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.895 -0.959 5.067 1.00 0.00 H new ATOM 0 HE1 PHE A 97 5.800 2.791 6.364 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.969 1.309 5.230 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.420 3.189 5.876 1.00 0.00 H new ATOM 1662 N LEU A 98 3.576 -2.042 8.140 1.00 0.00 N ATOM 1663 CA LEU A 98 2.265 -2.357 8.695 1.00 0.00 C ATOM 1664 C LEU A 98 1.232 -2.462 7.576 1.00 0.00 C ATOM 1665 O LEU A 98 0.712 -1.455 7.094 1.00 0.00 O ATOM 1666 CB LEU A 98 1.840 -1.289 9.705 1.00 0.00 C ATOM 1667 CG LEU A 98 0.555 -1.597 10.482 1.00 0.00 C ATOM 1668 CD1 LEU A 98 0.752 -2.805 11.384 1.00 0.00 C ATOM 1669 CD2 LEU A 98 0.121 -0.389 11.296 1.00 0.00 C ATOM 0 H LEU A 98 3.914 -1.106 8.366 1.00 0.00 H new ATOM 0 HA LEU A 98 2.328 -3.316 9.210 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.651 -1.144 10.419 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.708 -0.345 9.177 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.232 -1.829 9.765 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.171 -3.008 11.927 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.015 -3.672 10.778 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.554 -2.602 12.094 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.793 -0.627 11.841 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.907 -0.126 12.004 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.063 0.453 10.628 1.00 0.00 H new ATOM 1681 N CYS A 99 0.966 -3.682 7.149 1.00 0.00 N ATOM 1682 CA CYS A 99 0.043 -3.923 6.059 1.00 0.00 C ATOM 1683 C CYS A 99 -0.996 -4.960 6.473 1.00 0.00 C ATOM 1684 O CYS A 99 -0.682 -5.906 7.195 1.00 0.00 O ATOM 1685 CB CYS A 99 0.815 -4.395 4.819 1.00 0.00 C ATOM 1686 SG CYS A 99 -0.178 -4.505 3.311 1.00 0.00 S ATOM 0 H CYS A 99 1.380 -4.526 7.544 1.00 0.00 H new ATOM 0 HA CYS A 99 -0.475 -2.996 5.815 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.646 -3.712 4.642 1.00 0.00 H new ATOM 0 HB3 CYS A 99 1.246 -5.374 5.027 1.00 0.00 H new ATOM 0 HG CYS A 99 -1.101 -5.408 3.464 1.00 0.00 H new ATOM 1692 N PRO A 100 -2.257 -4.784 6.050 1.00 0.00 N ATOM 1693 CA PRO A 100 -3.306 -5.770 6.291 1.00 0.00 C ATOM 1694 C PRO A 100 -3.019 -7.080 5.566 1.00 0.00 C ATOM 1695 O PRO A 100 -2.384 -7.082 4.507 1.00 0.00 O ATOM 1696 CB PRO A 100 -4.575 -5.117 5.725 1.00 0.00 C ATOM 1697 CG PRO A 100 -4.240 -3.673 5.562 1.00 0.00 C ATOM 1698 CD PRO A 100 -2.759 -3.611 5.322 1.00 0.00 C ATOM 0 HA PRO A 100 -3.390 -6.023 7.348 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.855 -5.565 4.772 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.420 -5.250 6.401 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -4.788 -3.238 4.726 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -4.514 -3.107 6.452 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.520 -3.662 4.260 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.327 -2.685 5.702 1.00 0.00 H new ATOM 1706 N ASP A 101 -3.479 -8.188 6.146 1.00 0.00 N ATOM 1707 CA ASP A 101 -3.331 -9.504 5.525 1.00 0.00 C ATOM 1708 C ASP A 101 -3.970 -9.508 4.142 1.00 0.00 C ATOM 1709 O ASP A 101 -3.467 -10.146 3.217 1.00 0.00 O ATOM 1710 CB ASP A 101 -3.972 -10.584 6.404 1.00 0.00 C ATOM 1711 CG ASP A 101 -3.925 -11.960 5.767 1.00 0.00 C ATOM 1712 OD1 ASP A 101 -2.872 -12.625 5.844 1.00 0.00 O ATOM 1713 OD2 ASP A 101 -4.943 -12.384 5.185 1.00 0.00 O ATOM 0 H ASP A 101 -3.958 -8.200 7.046 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.268 -9.722 5.423 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.460 -10.615 7.366 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -5.009 -10.316 6.604 1.00 0.00 H new ATOM 1718 N LEU A 102 -5.096 -8.796 4.035 1.00 0.00 N ATOM 1719 CA LEU A 102 -5.787 -8.551 2.764 1.00 0.00 C ATOM 1720 C LEU A 102 -6.529 -9.795 2.263 1.00 0.00 C ATOM 1721 O LEU A 102 -7.537 -9.682 1.568 1.00 0.00 O ATOM 1722 CB LEU A 102 -4.806 -8.039 1.699 1.00 0.00 C ATOM 1723 CG LEU A 102 -5.444 -7.269 0.541 1.00 0.00 C ATOM 1724 CD1 LEU A 102 -6.079 -5.984 1.043 1.00 0.00 C ATOM 1725 CD2 LEU A 102 -4.411 -6.961 -0.531 1.00 0.00 C ATOM 0 H LEU A 102 -5.559 -8.369 4.837 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.535 -7.780 2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.073 -7.393 2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.261 -8.890 1.291 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.222 -7.894 0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.528 -5.449 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.849 -6.221 1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.316 -5.358 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -4.884 -6.413 -1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -3.612 -6.356 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.995 -7.893 -0.914 1.00 0.00 H new ATOM 1737 N SER A 103 -6.037 -10.976 2.618 1.00 0.00 N ATOM 1738 CA SER A 103 -6.688 -12.218 2.228 1.00 0.00 C ATOM 1739 C SER A 103 -7.604 -12.739 3.334 1.00 0.00 C ATOM 1740 O SER A 103 -8.242 -13.782 3.188 1.00 0.00 O ATOM 1741 CB SER A 103 -5.641 -13.264 1.848 1.00 0.00 C ATOM 1742 OG SER A 103 -4.560 -13.276 2.766 1.00 0.00 O ATOM 0 H SER A 103 -5.191 -11.098 3.174 1.00 0.00 H new ATOM 0 HA SER A 103 -7.312 -12.016 1.357 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.105 -14.250 1.818 1.00 0.00 H new ATOM 0 HB3 SER A 103 -5.266 -13.057 0.846 1.00 0.00 H new ATOM 0 HG SER A 103 -4.879 -13.002 3.651 1.00 0.00 H new ATOM 1748 N ASP A 104 -7.656 -12.014 4.442 1.00 0.00 N ATOM 1749 CA ASP A 104 -8.574 -12.337 5.527 1.00 0.00 C ATOM 1750 C ASP A 104 -9.901 -11.630 5.285 1.00 0.00 C ATOM 1751 O ASP A 104 -9.941 -10.406 5.155 1.00 0.00 O ATOM 1752 CB ASP A 104 -7.983 -11.919 6.878 1.00 0.00 C ATOM 1753 CG ASP A 104 -8.853 -12.327 8.054 1.00 0.00 C ATOM 1754 OD1 ASP A 104 -9.864 -11.648 8.314 1.00 0.00 O ATOM 1755 OD2 ASP A 104 -8.515 -13.319 8.736 1.00 0.00 O ATOM 0 H ASP A 104 -7.072 -11.196 4.614 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.736 -13.415 5.552 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -6.995 -12.366 6.991 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -7.847 -10.838 6.891 1.00 0.00 H new ATOM 1760 N ALA A 105 -10.980 -12.398 5.220 1.00 0.00 N ATOM 1761 CA ALA A 105 -12.281 -11.865 4.826 1.00 0.00 C ATOM 1762 C ALA A 105 -12.891 -10.977 5.905 1.00 0.00 C ATOM 1763 O ALA A 105 -13.662 -10.063 5.600 1.00 0.00 O ATOM 1764 CB ALA A 105 -13.231 -13.001 4.474 1.00 0.00 C ATOM 0 H ALA A 105 -10.982 -13.395 5.435 1.00 0.00 H new ATOM 0 HA ALA A 105 -12.124 -11.241 3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -14.197 -12.590 4.182 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -12.817 -13.578 3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -13.360 -13.650 5.341 1.00 0.00 H new ATOM 1770 N LYS A 106 -12.549 -11.231 7.160 1.00 0.00 N ATOM 1771 CA LYS A 106 -13.056 -10.414 8.251 1.00 0.00 C ATOM 1772 C LYS A 106 -12.274 -9.110 8.301 1.00 0.00 C ATOM 1773 O LYS A 106 -12.834 -8.036 8.527 1.00 0.00 O ATOM 1774 CB LYS A 106 -12.958 -11.159 9.586 1.00 0.00 C ATOM 1775 CG LYS A 106 -13.644 -10.433 10.734 1.00 0.00 C ATOM 1776 CD LYS A 106 -13.578 -11.225 12.030 1.00 0.00 C ATOM 1777 CE LYS A 106 -12.149 -11.376 12.522 1.00 0.00 C ATOM 1778 NZ LYS A 106 -12.086 -12.063 13.839 1.00 0.00 N ATOM 0 H LYS A 106 -11.929 -11.989 7.446 1.00 0.00 H new ATOM 0 HA LYS A 106 -14.110 -10.197 8.076 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -13.401 -12.149 9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.907 -11.307 9.835 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.175 -9.460 10.880 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -14.687 -10.248 10.475 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -14.175 -10.725 12.793 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -14.017 -12.211 11.877 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.571 -11.940 11.790 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -11.687 -10.392 12.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.094 -12.146 14.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.616 -11.512 14.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.504 -13.012 13.756 1.00 0.00 H new ATOM 1792 N ASN A 107 -10.974 -9.224 8.065 1.00 0.00 N ATOM 1793 CA ASN A 107 -10.097 -8.068 7.945 1.00 0.00 C ATOM 1794 C ASN A 107 -10.558 -7.198 6.778 1.00 0.00 C ATOM 1795 O ASN A 107 -10.676 -5.984 6.901 1.00 0.00 O ATOM 1796 CB ASN A 107 -8.657 -8.541 7.713 1.00 0.00 C ATOM 1797 CG ASN A 107 -7.611 -7.480 7.997 1.00 0.00 C ATOM 1798 OD1 ASN A 107 -7.853 -6.284 7.871 1.00 0.00 O ATOM 1799 ND2 ASN A 107 -6.423 -7.921 8.380 1.00 0.00 N ATOM 0 H ASN A 107 -10.499 -10.119 7.952 1.00 0.00 H new ATOM 0 HA ASN A 107 -10.135 -7.481 8.863 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -8.463 -9.408 8.345 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -8.555 -8.871 6.679 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -5.674 -7.259 8.581 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.257 -8.923 8.474 1.00 0.00 H new ATOM 1806 N MET A 108 -10.845 -7.850 5.653 1.00 0.00 N ATOM 1807 CA MET A 108 -11.340 -7.175 4.454 1.00 0.00 C ATOM 1808 C MET A 108 -12.659 -6.460 4.738 1.00 0.00 C ATOM 1809 O MET A 108 -12.909 -5.363 4.234 1.00 0.00 O ATOM 1810 CB MET A 108 -11.539 -8.196 3.327 1.00 0.00 C ATOM 1811 CG MET A 108 -11.944 -7.589 1.990 1.00 0.00 C ATOM 1812 SD MET A 108 -10.548 -7.364 0.865 1.00 0.00 S ATOM 1813 CE MET A 108 -9.509 -6.262 1.815 1.00 0.00 C ATOM 0 H MET A 108 -10.741 -8.859 5.547 1.00 0.00 H new ATOM 0 HA MET A 108 -10.602 -6.433 4.149 1.00 0.00 H new ATOM 0 HB2 MET A 108 -10.613 -8.755 3.192 1.00 0.00 H new ATOM 0 HB3 MET A 108 -12.302 -8.912 3.633 1.00 0.00 H new ATOM 0 HG2 MET A 108 -12.686 -8.231 1.516 1.00 0.00 H new ATOM 0 HG3 MET A 108 -12.422 -6.625 2.165 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.909 -5.654 1.138 1.00 0.00 H new ATOM 0 HE2 MET A 108 -10.133 -5.613 2.429 1.00 0.00 H new ATOM 0 HE3 MET A 108 -8.851 -6.846 2.458 1.00 0.00 H new ATOM 1823 N GLU A 109 -13.495 -7.091 5.554 1.00 0.00 N ATOM 1824 CA GLU A 109 -14.795 -6.539 5.912 1.00 0.00 C ATOM 1825 C GLU A 109 -14.626 -5.243 6.701 1.00 0.00 C ATOM 1826 O GLU A 109 -15.206 -4.213 6.355 1.00 0.00 O ATOM 1827 CB GLU A 109 -15.586 -7.562 6.729 1.00 0.00 C ATOM 1828 CG GLU A 109 -17.030 -7.170 6.984 1.00 0.00 C ATOM 1829 CD GLU A 109 -17.791 -8.244 7.730 1.00 0.00 C ATOM 1830 OE1 GLU A 109 -18.007 -9.332 7.154 1.00 0.00 O ATOM 1831 OE2 GLU A 109 -18.177 -8.010 8.893 1.00 0.00 O ATOM 0 H GLU A 109 -13.292 -7.994 5.983 1.00 0.00 H new ATOM 0 HA GLU A 109 -15.346 -6.314 4.999 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -15.567 -8.519 6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -15.087 -7.710 7.687 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -17.057 -6.243 7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -17.524 -6.971 6.033 1.00 0.00 H new ATOM 1838 N PHE A 110 -13.812 -5.300 7.748 1.00 0.00 N ATOM 1839 CA PHE A 110 -13.526 -4.123 8.561 1.00 0.00 C ATOM 1840 C PHE A 110 -12.784 -3.065 7.750 1.00 0.00 C ATOM 1841 O PHE A 110 -12.968 -1.869 7.966 1.00 0.00 O ATOM 1842 CB PHE A 110 -12.708 -4.509 9.795 1.00 0.00 C ATOM 1843 CG PHE A 110 -13.542 -4.929 10.971 1.00 0.00 C ATOM 1844 CD1 PHE A 110 -14.049 -6.215 11.063 1.00 0.00 C ATOM 1845 CD2 PHE A 110 -13.820 -4.027 11.985 1.00 0.00 C ATOM 1846 CE1 PHE A 110 -14.817 -6.593 12.149 1.00 0.00 C ATOM 1847 CE2 PHE A 110 -14.588 -4.399 13.072 1.00 0.00 C ATOM 1848 CZ PHE A 110 -15.087 -5.684 13.153 1.00 0.00 C ATOM 0 H PHE A 110 -13.338 -6.149 8.055 1.00 0.00 H new ATOM 0 HA PHE A 110 -14.477 -3.701 8.886 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -12.033 -5.323 9.531 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -12.087 -3.662 10.087 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -13.843 -6.929 10.279 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -13.432 -3.021 11.925 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -15.206 -7.599 12.212 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -14.797 -3.687 13.856 1.00 0.00 H new ATOM 0 HZ PHE A 110 -15.688 -5.978 14.001 1.00 0.00 H new ATOM 1858 N LEU A 111 -11.955 -3.520 6.817 1.00 0.00 N ATOM 1859 CA LEU A 111 -11.207 -2.623 5.944 1.00 0.00 C ATOM 1860 C LEU A 111 -12.160 -1.776 5.101 1.00 0.00 C ATOM 1861 O LEU A 111 -11.935 -0.583 4.905 1.00 0.00 O ATOM 1862 CB LEU A 111 -10.253 -3.441 5.058 1.00 0.00 C ATOM 1863 CG LEU A 111 -9.365 -2.641 4.099 1.00 0.00 C ATOM 1864 CD1 LEU A 111 -8.023 -3.335 3.923 1.00 0.00 C ATOM 1865 CD2 LEU A 111 -10.044 -2.480 2.746 1.00 0.00 C ATOM 0 H LEU A 111 -11.784 -4.511 6.645 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.613 -1.941 6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.609 -4.035 5.706 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.847 -4.141 4.471 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.203 -1.652 4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.401 -2.757 3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.524 -3.413 4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.180 -4.333 3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.397 -1.909 2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.233 -3.463 2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.989 -1.952 2.874 1.00 0.00 H new ATOM 1877 N ARG A 112 -13.234 -2.396 4.617 1.00 0.00 N ATOM 1878 CA ARG A 112 -14.252 -1.677 3.859 1.00 0.00 C ATOM 1879 C ARG A 112 -14.945 -0.639 4.739 1.00 0.00 C ATOM 1880 O ARG A 112 -15.312 0.445 4.282 1.00 0.00 O ATOM 1881 CB ARG A 112 -15.302 -2.645 3.294 1.00 0.00 C ATOM 1882 CG ARG A 112 -16.505 -1.930 2.694 1.00 0.00 C ATOM 1883 CD ARG A 112 -17.620 -2.887 2.308 1.00 0.00 C ATOM 1884 NE ARG A 112 -18.850 -2.162 1.986 1.00 0.00 N ATOM 1885 CZ ARG A 112 -20.033 -2.739 1.780 1.00 0.00 C ATOM 1886 NH1 ARG A 112 -20.140 -4.061 1.740 1.00 0.00 N ATOM 1887 NH2 ARG A 112 -21.107 -1.988 1.575 1.00 0.00 N ATOM 0 H ARG A 112 -13.420 -3.392 4.736 1.00 0.00 H new ATOM 0 HA ARG A 112 -13.752 -1.173 3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -14.839 -3.270 2.530 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -15.640 -3.310 4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -16.887 -1.204 3.412 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -16.189 -1.372 1.813 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -17.311 -3.483 1.450 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -17.807 -3.581 3.127 1.00 0.00 H new ATOM 0 HE ARG A 112 -18.798 -1.146 1.914 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -19.313 -4.644 1.868 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -21.050 -4.494 1.582 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -21.026 -0.971 1.575 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -22.014 -2.427 1.417 1.00 0.00 H new ATOM 1901 N ASN A 113 -15.101 -0.974 6.010 1.00 0.00 N ATOM 1902 CA ASN A 113 -15.859 -0.138 6.929 1.00 0.00 C ATOM 1903 C ASN A 113 -14.948 0.777 7.738 1.00 0.00 C ATOM 1904 O ASN A 113 -15.335 1.274 8.796 1.00 0.00 O ATOM 1905 CB ASN A 113 -16.706 -1.010 7.861 1.00 0.00 C ATOM 1906 CG ASN A 113 -17.769 -1.797 7.112 1.00 0.00 C ATOM 1907 OD1 ASN A 113 -18.259 -1.365 6.065 1.00 0.00 O ATOM 1908 ND2 ASN A 113 -18.131 -2.955 7.635 1.00 0.00 N ATOM 0 H ASN A 113 -14.713 -1.819 6.429 1.00 0.00 H new ATOM 0 HA ASN A 113 -16.519 0.496 6.337 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -16.056 -1.702 8.397 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -17.185 -0.378 8.609 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -18.838 -3.525 7.171 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -17.703 -3.279 8.502 1.00 0.00 H new ATOM 1915 N TRP A 114 -13.742 1.013 7.236 1.00 0.00 N ATOM 1916 CA TRP A 114 -12.839 1.966 7.862 1.00 0.00 C ATOM 1917 C TRP A 114 -13.341 3.384 7.605 1.00 0.00 C ATOM 1918 O TRP A 114 -13.043 3.988 6.574 1.00 0.00 O ATOM 1919 CB TRP A 114 -11.405 1.785 7.341 1.00 0.00 C ATOM 1920 CG TRP A 114 -10.399 2.697 7.989 1.00 0.00 C ATOM 1921 CD1 TRP A 114 -10.076 2.759 9.316 1.00 0.00 C ATOM 1922 CD2 TRP A 114 -9.572 3.665 7.332 1.00 0.00 C ATOM 1923 NE1 TRP A 114 -9.111 3.715 9.523 1.00 0.00 N ATOM 1924 CE2 TRP A 114 -8.780 4.281 8.320 1.00 0.00 C ATOM 1925 CE3 TRP A 114 -9.421 4.068 6.002 1.00 0.00 C ATOM 1926 CZ2 TRP A 114 -7.860 5.284 8.019 1.00 0.00 C ATOM 1927 CZ3 TRP A 114 -8.506 5.061 5.705 1.00 0.00 C ATOM 1928 CH2 TRP A 114 -7.735 5.658 6.710 1.00 0.00 C ATOM 0 H TRP A 114 -13.370 0.559 6.402 1.00 0.00 H new ATOM 0 HA TRP A 114 -12.820 1.787 8.937 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -11.099 0.751 7.501 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -11.396 1.957 6.265 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -10.515 2.146 10.089 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -8.707 3.963 10.426 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -10.009 3.611 5.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -7.267 5.749 8.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -8.384 5.382 4.681 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -7.027 6.430 6.446 1.00 0.00 H new ATOM 1939 N ASN A 115 -14.156 3.887 8.526 1.00 0.00 N ATOM 1940 CA ASN A 115 -14.740 5.215 8.387 1.00 0.00 C ATOM 1941 C ASN A 115 -13.659 6.283 8.465 1.00 0.00 C ATOM 1942 O ASN A 115 -13.487 7.069 7.535 1.00 0.00 O ATOM 1943 CB ASN A 115 -15.802 5.466 9.464 1.00 0.00 C ATOM 1944 CG ASN A 115 -16.991 4.525 9.359 1.00 0.00 C ATOM 1945 OD1 ASN A 115 -17.946 4.792 8.631 1.00 0.00 O ATOM 1946 ND2 ASN A 115 -16.956 3.435 10.111 1.00 0.00 N ATOM 0 H ASN A 115 -14.427 3.394 9.377 1.00 0.00 H new ATOM 0 HA ASN A 115 -15.221 5.267 7.410 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -15.346 5.357 10.448 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -16.153 6.495 9.387 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -17.739 2.782 10.099 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -16.146 3.249 10.702 1.00 0.00 H new ATOM 1953 N GLY A 116 -12.926 6.303 9.569 1.00 0.00 N ATOM 1954 CA GLY A 116 -11.851 7.263 9.711 1.00 0.00 C ATOM 1955 C GLY A 116 -11.455 7.496 11.151 1.00 0.00 C ATOM 1956 O GLY A 116 -11.466 8.630 11.628 1.00 0.00 O ATOM 0 H GLY A 116 -13.055 5.676 10.364 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -10.983 6.913 9.153 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -12.156 8.210 9.266 1.00 0.00 H new ATOM 1960 N THR A 117 -11.112 6.424 11.847 1.00 0.00 N ATOM 1961 CA THR A 117 -10.631 6.529 13.217 1.00 0.00 C ATOM 1962 C THR A 117 -9.231 5.939 13.308 1.00 0.00 C ATOM 1963 O THR A 117 -8.827 5.163 12.438 1.00 0.00 O ATOM 1964 CB THR A 117 -11.538 5.776 14.210 1.00 0.00 C ATOM 1965 OG1 THR A 117 -11.457 4.373 13.972 1.00 0.00 O ATOM 1966 CG2 THR A 117 -12.987 6.202 14.089 1.00 0.00 C ATOM 0 H THR A 117 -11.157 5.471 11.487 1.00 0.00 H new ATOM 0 HA THR A 117 -10.632 7.586 13.481 1.00 0.00 H new ATOM 0 HB THR A 117 -11.188 6.018 15.213 1.00 0.00 H new ATOM 0 HG1 THR A 117 -12.239 3.929 14.362 1.00 0.00 H new ATOM 0 HG21 THR A 117 -13.591 5.647 14.807 1.00 0.00 H new ATOM 0 HG22 THR A 117 -13.071 7.269 14.293 1.00 0.00 H new ATOM 0 HG23 THR A 117 -13.343 5.997 13.080 1.00 0.00 H new ATOM 1974 N PHE A 118 -8.497 6.303 14.345 1.00 0.00 N ATOM 1975 CA PHE A 118 -7.199 5.696 14.605 1.00 0.00 C ATOM 1976 C PHE A 118 -7.372 4.445 15.458 1.00 0.00 C ATOM 1977 O PHE A 118 -6.503 3.573 15.493 1.00 0.00 O ATOM 1978 CB PHE A 118 -6.259 6.686 15.289 1.00 0.00 C ATOM 1979 CG PHE A 118 -5.879 7.851 14.424 1.00 0.00 C ATOM 1980 CD1 PHE A 118 -4.766 7.785 13.603 1.00 0.00 C ATOM 1981 CD2 PHE A 118 -6.633 9.013 14.427 1.00 0.00 C ATOM 1982 CE1 PHE A 118 -4.412 8.854 12.802 1.00 0.00 C ATOM 1983 CE2 PHE A 118 -6.285 10.085 13.628 1.00 0.00 C ATOM 1984 CZ PHE A 118 -5.172 10.005 12.817 1.00 0.00 C ATOM 0 H PHE A 118 -8.775 7.014 15.021 1.00 0.00 H new ATOM 0 HA PHE A 118 -6.751 5.415 13.652 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -6.735 7.058 16.196 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.354 6.162 15.596 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.167 6.887 13.588 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -7.504 9.082 15.062 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -3.542 8.788 12.165 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -6.883 10.984 13.638 1.00 0.00 H new ATOM 0 HZ PHE A 118 -4.896 10.843 12.194 1.00 0.00 H new ATOM 1994 N GLY A 119 -8.504 4.368 16.147 1.00 0.00 N ATOM 1995 CA GLY A 119 -8.797 3.218 16.978 1.00 0.00 C ATOM 1996 C GLY A 119 -9.232 2.011 16.169 1.00 0.00 C ATOM 1997 O GLY A 119 -9.067 0.872 16.610 1.00 0.00 O ATOM 0 H GLY A 119 -9.228 5.087 16.144 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -7.913 2.961 17.561 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -9.582 3.478 17.688 1.00 0.00 H new ATOM 2001 N LEU A 120 -9.777 2.250 14.978 1.00 0.00 N ATOM 2002 CA LEU A 120 -10.233 1.166 14.110 1.00 0.00 C ATOM 2003 C LEU A 120 -9.048 0.281 13.718 1.00 0.00 C ATOM 2004 O LEU A 120 -9.200 -0.910 13.450 1.00 0.00 O ATOM 2005 CB LEU A 120 -10.915 1.728 12.856 1.00 0.00 C ATOM 2006 CG LEU A 120 -12.057 0.878 12.282 1.00 0.00 C ATOM 2007 CD1 LEU A 120 -12.899 1.707 11.327 1.00 0.00 C ATOM 2008 CD2 LEU A 120 -11.526 -0.356 11.567 1.00 0.00 C ATOM 0 H LEU A 120 -9.914 3.184 14.592 1.00 0.00 H new ATOM 0 HA LEU A 120 -10.961 0.565 14.654 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -11.306 2.718 13.090 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.159 1.859 12.081 1.00 0.00 H new ATOM 0 HG LEU A 120 -12.677 0.546 13.115 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -13.706 1.093 10.926 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -13.322 2.559 11.860 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -12.275 2.065 10.508 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -12.361 -0.935 11.173 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.877 -0.050 10.746 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.959 -0.968 12.269 1.00 0.00 H new ATOM 2020 N LEU A 121 -7.857 0.869 13.735 1.00 0.00 N ATOM 2021 CA LEU A 121 -6.639 0.159 13.359 1.00 0.00 C ATOM 2022 C LEU A 121 -6.318 -0.943 14.366 1.00 0.00 C ATOM 2023 O LEU A 121 -5.521 -1.836 14.091 1.00 0.00 O ATOM 2024 CB LEU A 121 -5.446 1.122 13.243 1.00 0.00 C ATOM 2025 CG LEU A 121 -5.452 2.072 12.033 1.00 0.00 C ATOM 2026 CD1 LEU A 121 -5.683 1.307 10.740 1.00 0.00 C ATOM 2027 CD2 LEU A 121 -6.491 3.166 12.195 1.00 0.00 C ATOM 0 H LEU A 121 -7.708 1.841 14.007 1.00 0.00 H new ATOM 0 HA LEU A 121 -6.814 -0.294 12.383 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -5.403 1.724 14.151 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -4.531 0.531 13.209 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.470 2.543 11.983 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -5.683 2.002 9.901 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -4.888 0.574 10.604 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -6.644 0.795 10.787 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -6.470 3.820 11.323 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -7.480 2.718 12.288 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -6.271 3.747 13.090 1.00 0.00 H new ATOM 2039 N ASN A 122 -6.945 -0.870 15.534 1.00 0.00 N ATOM 2040 CA ASN A 122 -6.773 -1.896 16.554 1.00 0.00 C ATOM 2041 C ASN A 122 -7.715 -3.061 16.286 1.00 0.00 C ATOM 2042 O ASN A 122 -7.419 -4.204 16.627 1.00 0.00 O ATOM 2043 CB ASN A 122 -7.044 -1.329 17.952 1.00 0.00 C ATOM 2044 CG ASN A 122 -6.070 -0.236 18.343 1.00 0.00 C ATOM 2045 OD1 ASN A 122 -4.903 -0.246 17.945 1.00 0.00 O ATOM 2046 ND2 ASN A 122 -6.541 0.715 19.135 1.00 0.00 N ATOM 0 H ASN A 122 -7.576 -0.113 15.798 1.00 0.00 H new ATOM 0 HA ASN A 122 -5.741 -2.245 16.513 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -8.059 -0.934 17.988 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -6.990 -2.136 18.683 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -5.932 1.475 19.437 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -7.513 0.687 19.443 1.00 0.00 H new ATOM 2053 N THR A 123 -8.851 -2.763 15.659 1.00 0.00 N ATOM 2054 CA THR A 123 -9.833 -3.790 15.338 1.00 0.00 C ATOM 2055 C THR A 123 -9.456 -4.494 14.038 1.00 0.00 C ATOM 2056 O THR A 123 -9.906 -5.609 13.760 1.00 0.00 O ATOM 2057 CB THR A 123 -11.260 -3.205 15.236 1.00 0.00 C ATOM 2058 OG1 THR A 123 -11.357 -2.295 14.133 1.00 0.00 O ATOM 2059 CG2 THR A 123 -11.630 -2.474 16.516 1.00 0.00 C ATOM 0 H THR A 123 -9.111 -1.822 15.365 1.00 0.00 H new ATOM 0 HA THR A 123 -9.831 -4.515 16.152 1.00 0.00 H new ATOM 0 HB THR A 123 -11.949 -4.035 15.080 1.00 0.00 H new ATOM 0 HG1 THR A 123 -10.459 -2.012 13.862 1.00 0.00 H new ATOM 0 HG21 THR A 123 -12.638 -2.069 16.425 1.00 0.00 H new ATOM 0 HG22 THR A 123 -11.592 -3.168 17.355 1.00 0.00 H new ATOM 0 HG23 THR A 123 -10.926 -1.660 16.687 1.00 0.00 H new ATOM 2067 N LEU A 124 -8.622 -3.830 13.247 1.00 0.00 N ATOM 2068 CA LEU A 124 -8.078 -4.419 12.036 1.00 0.00 C ATOM 2069 C LEU A 124 -6.924 -5.342 12.390 1.00 0.00 C ATOM 2070 O LEU A 124 -6.089 -4.999 13.228 1.00 0.00 O ATOM 2071 CB LEU A 124 -7.603 -3.325 11.076 1.00 0.00 C ATOM 2072 CG LEU A 124 -8.718 -2.524 10.405 1.00 0.00 C ATOM 2073 CD1 LEU A 124 -8.146 -1.334 9.656 1.00 0.00 C ATOM 2074 CD2 LEU A 124 -9.505 -3.413 9.457 1.00 0.00 C ATOM 0 H LEU A 124 -8.308 -2.877 13.427 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.860 -4.996 11.541 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.961 -2.636 11.624 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -6.990 -3.784 10.301 1.00 0.00 H new ATOM 0 HG LEU A 124 -9.390 -2.153 11.179 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -8.956 -0.777 9.185 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -7.617 -0.685 10.354 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.454 -1.684 8.890 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -10.297 -2.831 8.985 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -8.838 -3.807 8.690 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.946 -4.239 10.015 1.00 0.00 H new ATOM 2086 N ARG A 125 -6.882 -6.514 11.774 1.00 0.00 N ATOM 2087 CA ARG A 125 -5.789 -7.444 12.015 1.00 0.00 C ATOM 2088 C ARG A 125 -4.575 -7.015 11.200 1.00 0.00 C ATOM 2089 O ARG A 125 -4.258 -7.599 10.160 1.00 0.00 O ATOM 2090 CB ARG A 125 -6.193 -8.878 11.663 1.00 0.00 C ATOM 2091 CG ARG A 125 -5.299 -9.932 12.302 1.00 0.00 C ATOM 2092 CD ARG A 125 -5.626 -11.327 11.795 1.00 0.00 C ATOM 2093 NE ARG A 125 -4.987 -12.372 12.597 1.00 0.00 N ATOM 2094 CZ ARG A 125 -3.808 -12.932 12.309 1.00 0.00 C ATOM 2095 NH1 ARG A 125 -3.099 -12.504 11.270 1.00 0.00 N ATOM 2096 NH2 ARG A 125 -3.338 -13.919 13.066 1.00 0.00 N ATOM 0 H ARG A 125 -7.584 -6.841 11.110 1.00 0.00 H new ATOM 0 HA ARG A 125 -5.540 -7.426 13.076 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -7.223 -9.046 11.979 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -6.168 -8.999 10.580 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -4.255 -9.702 12.088 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -5.417 -9.901 13.385 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -6.706 -11.472 11.807 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -5.304 -11.419 10.758 1.00 0.00 H new ATOM 0 HE ARG A 125 -5.475 -12.695 13.433 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -3.454 -11.745 10.688 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -2.200 -12.934 11.054 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -3.877 -14.249 13.867 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -2.438 -14.346 12.846 1.00 0.00 H new ATOM 2110 N LEU A 126 -3.936 -5.955 11.655 1.00 0.00 N ATOM 2111 CA LEU A 126 -2.804 -5.384 10.958 1.00 0.00 C ATOM 2112 C LEU A 126 -1.513 -6.050 11.391 1.00 0.00 C ATOM 2113 O LEU A 126 -1.176 -6.085 12.577 1.00 0.00 O ATOM 2114 CB LEU A 126 -2.740 -3.879 11.202 1.00 0.00 C ATOM 2115 CG LEU A 126 -3.888 -3.086 10.580 1.00 0.00 C ATOM 2116 CD1 LEU A 126 -3.899 -1.665 11.105 1.00 0.00 C ATOM 2117 CD2 LEU A 126 -3.777 -3.091 9.064 1.00 0.00 C ATOM 0 H LEU A 126 -4.187 -5.468 12.515 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.932 -5.559 9.890 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -2.731 -3.698 12.277 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.798 -3.500 10.807 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.827 -3.564 10.860 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.724 -1.116 10.651 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -4.025 -1.678 12.188 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.957 -1.177 10.855 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.603 -2.522 8.637 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.831 -2.637 8.767 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.817 -4.117 8.700 1.00 0.00 H new ATOM 2129 N ILE A 127 -0.803 -6.576 10.416 1.00 0.00 N ATOM 2130 CA ILE A 127 0.444 -7.270 10.652 1.00 0.00 C ATOM 2131 C ILE A 127 1.566 -6.561 9.914 1.00 0.00 C ATOM 2132 O ILE A 127 1.344 -5.523 9.293 1.00 0.00 O ATOM 2133 CB ILE A 127 0.356 -8.737 10.180 1.00 0.00 C ATOM 2134 CG1 ILE A 127 -0.179 -8.794 8.742 1.00 0.00 C ATOM 2135 CG2 ILE A 127 -0.528 -9.544 11.123 1.00 0.00 C ATOM 2136 CD1 ILE A 127 -0.355 -10.197 8.203 1.00 0.00 C ATOM 0 H ILE A 127 -1.076 -6.534 9.434 1.00 0.00 H new ATOM 0 HA ILE A 127 0.646 -7.266 11.723 1.00 0.00 H new ATOM 0 HB ILE A 127 1.354 -9.176 10.194 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -1.138 -8.278 8.702 1.00 0.00 H new ATOM 0 HG13 ILE A 127 0.504 -8.249 8.090 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.581 -10.577 10.778 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -0.106 -9.519 12.128 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -1.530 -9.115 11.139 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -0.736 -10.150 7.183 1.00 0.00 H new ATOM 0 HD12 ILE A 127 0.606 -10.712 8.208 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -1.062 -10.741 8.829 1.00 0.00 H new ATOM 2148 N ARG A 128 2.765 -7.103 9.984 1.00 0.00 N ATOM 2149 CA ARG A 128 3.872 -6.549 9.230 1.00 0.00 C ATOM 2150 C ARG A 128 4.157 -7.425 8.026 1.00 0.00 C ATOM 2151 O ARG A 128 4.087 -8.648 8.111 1.00 0.00 O ATOM 2152 CB ARG A 128 5.113 -6.383 10.108 1.00 0.00 C ATOM 2153 CG ARG A 128 5.034 -5.167 11.018 1.00 0.00 C ATOM 2154 CD ARG A 128 6.326 -4.954 11.787 1.00 0.00 C ATOM 2155 NE ARG A 128 6.455 -3.576 12.264 1.00 0.00 N ATOM 2156 CZ ARG A 128 7.620 -2.939 12.378 1.00 0.00 C ATOM 2157 NH1 ARG A 128 8.763 -3.595 12.207 1.00 0.00 N ATOM 2158 NH2 ARG A 128 7.648 -1.650 12.693 1.00 0.00 N ATOM 0 H ARG A 128 2.997 -7.919 10.550 1.00 0.00 H new ATOM 0 HA ARG A 128 3.597 -5.554 8.879 1.00 0.00 H new ATOM 0 HB2 ARG A 128 5.244 -7.278 10.716 1.00 0.00 H new ATOM 0 HB3 ARG A 128 5.994 -6.298 9.472 1.00 0.00 H new ATOM 0 HG2 ARG A 128 4.815 -4.281 10.422 1.00 0.00 H new ATOM 0 HG3 ARG A 128 4.209 -5.291 11.720 1.00 0.00 H new ATOM 0 HD2 ARG A 128 6.360 -5.637 12.636 1.00 0.00 H new ATOM 0 HD3 ARG A 128 7.174 -5.198 11.147 1.00 0.00 H new ATOM 0 HE ARG A 128 5.605 -3.075 12.524 1.00 0.00 H new ATOM 0 HH11 ARG A 128 8.751 -4.591 11.987 1.00 0.00 H new ATOM 0 HH12 ARG A 128 9.652 -3.102 12.295 1.00 0.00 H new ATOM 0 HH21 ARG A 128 6.776 -1.144 12.849 1.00 0.00 H new ATOM 0 HH22 ARG A 128 8.541 -1.165 12.779 1.00 0.00 H new ATOM 2172 N ILE A 129 4.434 -6.795 6.898 1.00 0.00 N ATOM 2173 CA ILE A 129 4.618 -7.514 5.648 1.00 0.00 C ATOM 2174 C ILE A 129 5.853 -7.019 4.900 1.00 0.00 C ATOM 2175 O ILE A 129 6.024 -5.816 4.690 1.00 0.00 O ATOM 2176 CB ILE A 129 3.362 -7.367 4.752 1.00 0.00 C ATOM 2177 CG1 ILE A 129 2.199 -8.181 5.334 1.00 0.00 C ATOM 2178 CG2 ILE A 129 3.650 -7.789 3.319 1.00 0.00 C ATOM 2179 CD1 ILE A 129 0.924 -8.101 4.521 1.00 0.00 C ATOM 0 H ILE A 129 4.537 -5.783 6.821 1.00 0.00 H new ATOM 0 HA ILE A 129 4.765 -8.567 5.888 1.00 0.00 H new ATOM 0 HB ILE A 129 3.080 -6.314 4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 129 2.503 -9.225 5.412 1.00 0.00 H new ATOM 0 HG13 ILE A 129 1.995 -7.832 6.346 1.00 0.00 H new ATOM 0 HG21 ILE A 129 2.748 -7.674 2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 129 4.443 -7.164 2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 129 3.965 -8.832 3.303 1.00 0.00 H new ATOM 0 HD11 ILE A 129 0.150 -8.703 4.998 1.00 0.00 H new ATOM 0 HD12 ILE A 129 0.594 -7.064 4.464 1.00 0.00 H new ATOM 0 HD13 ILE A 129 1.109 -8.479 3.516 1.00 0.00 H new ATOM 2191 N ASN A 130 6.719 -7.954 4.517 1.00 0.00 N ATOM 2192 CA ASN A 130 7.901 -7.625 3.731 1.00 0.00 C ATOM 2193 C ASN A 130 7.572 -7.687 2.250 1.00 0.00 C ATOM 2194 O ASN A 130 7.390 -8.779 1.710 1.00 0.00 O ATOM 2195 CB ASN A 130 9.073 -8.590 3.985 1.00 0.00 C ATOM 2196 CG ASN A 130 9.301 -8.939 5.438 1.00 0.00 C ATOM 2197 OD1 ASN A 130 9.873 -8.160 6.199 1.00 0.00 O ATOM 2198 ND2 ASN A 130 8.903 -10.143 5.819 1.00 0.00 N ATOM 0 H ASN A 130 6.623 -8.945 4.739 1.00 0.00 H new ATOM 0 HA ASN A 130 8.200 -6.622 4.035 1.00 0.00 H new ATOM 0 HB2 ASN A 130 8.895 -9.510 3.428 1.00 0.00 H new ATOM 0 HB3 ASN A 130 9.985 -8.146 3.585 1.00 0.00 H new ATOM 0 HD21 ASN A 130 9.068 -10.455 6.776 1.00 0.00 H new ATOM 0 HD22 ASN A 130 8.432 -10.758 5.156 1.00 0.00 H new ATOM 2205 N ASP A 131 7.450 -6.515 1.630 1.00 0.00 N ATOM 2206 CA ASP A 131 7.410 -6.366 0.164 1.00 0.00 C ATOM 2207 C ASP A 131 6.369 -7.266 -0.526 1.00 0.00 C ATOM 2208 O ASP A 131 5.244 -6.840 -0.787 1.00 0.00 O ATOM 2209 CB ASP A 131 8.811 -6.628 -0.405 1.00 0.00 C ATOM 2210 CG ASP A 131 8.900 -6.416 -1.904 1.00 0.00 C ATOM 2211 OD1 ASP A 131 8.549 -5.322 -2.380 1.00 0.00 O ATOM 2212 OD2 ASP A 131 9.359 -7.341 -2.608 1.00 0.00 O ATOM 0 H ASP A 131 7.375 -5.629 2.130 1.00 0.00 H new ATOM 0 HA ASP A 131 7.095 -5.344 -0.046 1.00 0.00 H new ATOM 0 HB2 ASP A 131 9.525 -5.971 0.091 1.00 0.00 H new ATOM 0 HB3 ASP A 131 9.104 -7.652 -0.172 1.00 0.00 H new ATOM 2217 N LYS A 132 6.736 -8.519 -0.780 1.00 0.00 N ATOM 2218 CA LYS A 132 5.929 -9.430 -1.588 1.00 0.00 C ATOM 2219 C LYS A 132 4.869 -10.145 -0.761 1.00 0.00 C ATOM 2220 O LYS A 132 4.572 -11.316 -1.001 1.00 0.00 O ATOM 2221 CB LYS A 132 6.835 -10.471 -2.253 1.00 0.00 C ATOM 2222 CG LYS A 132 7.901 -9.867 -3.146 1.00 0.00 C ATOM 2223 CD LYS A 132 8.873 -10.915 -3.658 1.00 0.00 C ATOM 2224 CE LYS A 132 10.016 -10.272 -4.426 1.00 0.00 C ATOM 2225 NZ LYS A 132 10.792 -9.334 -3.571 1.00 0.00 N ATOM 0 H LYS A 132 7.601 -8.932 -0.432 1.00 0.00 H new ATOM 0 HA LYS A 132 5.419 -8.831 -2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 132 7.317 -11.068 -1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 132 6.221 -11.151 -2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 132 7.426 -9.369 -3.991 1.00 0.00 H new ATOM 0 HG3 LYS A 132 8.448 -9.104 -2.592 1.00 0.00 H new ATOM 0 HD2 LYS A 132 9.270 -11.487 -2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 132 8.347 -11.619 -4.304 1.00 0.00 H new ATOM 0 HE2 LYS A 132 10.679 -11.048 -4.810 1.00 0.00 H new ATOM 0 HE3 LYS A 132 9.619 -9.736 -5.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 11.697 -9.111 -4.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 10.248 -8.458 -3.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 10.975 -9.776 -2.648 1.00 0.00 H new ATOM 2239 N GLY A 133 4.285 -9.440 0.190 1.00 0.00 N ATOM 2240 CA GLY A 133 3.251 -10.034 1.009 1.00 0.00 C ATOM 2241 C GLY A 133 3.791 -11.104 1.936 1.00 0.00 C ATOM 2242 O GLY A 133 3.098 -12.074 2.231 1.00 0.00 O ATOM 0 H GLY A 133 4.506 -8.469 0.411 1.00 0.00 H new ATOM 0 HA2 GLY A 133 2.767 -9.256 1.600 1.00 0.00 H new ATOM 0 HA3 GLY A 133 2.486 -10.467 0.365 1.00 0.00 H new ATOM 2246 N GLU A 134 5.025 -10.934 2.396 1.00 0.00 N ATOM 2247 CA GLU A 134 5.646 -11.917 3.266 1.00 0.00 C ATOM 2248 C GLU A 134 5.438 -11.501 4.714 1.00 0.00 C ATOM 2249 O GLU A 134 5.884 -10.432 5.125 1.00 0.00 O ATOM 2250 CB GLU A 134 7.130 -12.041 2.925 1.00 0.00 C ATOM 2251 CG GLU A 134 7.827 -13.210 3.596 1.00 0.00 C ATOM 2252 CD GLU A 134 9.153 -13.524 2.941 1.00 0.00 C ATOM 2253 OE1 GLU A 134 10.131 -12.788 3.182 1.00 0.00 O ATOM 2254 OE2 GLU A 134 9.216 -14.493 2.157 1.00 0.00 O ATOM 0 H GLU A 134 5.611 -10.127 2.180 1.00 0.00 H new ATOM 0 HA GLU A 134 5.188 -12.895 3.120 1.00 0.00 H new ATOM 0 HB2 GLU A 134 7.236 -12.141 1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 134 7.635 -11.118 3.211 1.00 0.00 H new ATOM 0 HG2 GLU A 134 7.987 -12.982 4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 134 7.184 -14.089 3.555 1.00 0.00 H new ATOM 2261 N GLN A 135 4.755 -12.339 5.477 1.00 0.00 N ATOM 2262 CA GLN A 135 4.288 -11.953 6.801 1.00 0.00 C ATOM 2263 C GLN A 135 5.423 -11.901 7.816 1.00 0.00 C ATOM 2264 O GLN A 135 6.343 -12.717 7.792 1.00 0.00 O ATOM 2265 CB GLN A 135 3.201 -12.912 7.284 1.00 0.00 C ATOM 2266 CG GLN A 135 2.555 -12.484 8.592 1.00 0.00 C ATOM 2267 CD GLN A 135 1.400 -13.376 8.995 1.00 0.00 C ATOM 2268 OE1 GLN A 135 0.733 -13.970 8.149 1.00 0.00 O ATOM 2269 NE2 GLN A 135 1.140 -13.461 10.289 1.00 0.00 N ATOM 0 H GLN A 135 4.511 -13.291 5.203 1.00 0.00 H new ATOM 0 HA GLN A 135 3.874 -10.949 6.716 1.00 0.00 H new ATOM 0 HB2 GLN A 135 2.431 -12.993 6.517 1.00 0.00 H new ATOM 0 HB3 GLN A 135 3.632 -13.905 7.408 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.306 -12.490 9.382 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.200 -11.458 8.498 1.00 0.00 H new ATOM 0 HE21 GLN A 135 1.717 -12.953 10.960 1.00 0.00 H new ATOM 0 HE22 GLN A 135 0.363 -14.035 10.616 1.00 0.00 H new ATOM 2278 N VAL A 136 5.346 -10.911 8.692 1.00 0.00 N ATOM 2279 CA VAL A 136 6.278 -10.764 9.793 1.00 0.00 C ATOM 2280 C VAL A 136 5.513 -10.826 11.107 1.00 0.00 C ATOM 2281 O VAL A 136 4.794 -9.887 11.455 1.00 0.00 O ATOM 2282 CB VAL A 136 7.027 -9.418 9.729 1.00 0.00 C ATOM 2283 CG1 VAL A 136 8.210 -9.411 10.685 1.00 0.00 C ATOM 2284 CG2 VAL A 136 7.470 -9.109 8.311 1.00 0.00 C ATOM 0 H VAL A 136 4.631 -10.185 8.657 1.00 0.00 H new ATOM 0 HA VAL A 136 7.007 -11.572 9.724 1.00 0.00 H new ATOM 0 HB VAL A 136 6.338 -8.633 10.041 1.00 0.00 H new ATOM 0 HG11 VAL A 136 8.723 -8.451 10.622 1.00 0.00 H new ATOM 0 HG12 VAL A 136 7.855 -9.567 11.704 1.00 0.00 H new ATOM 0 HG13 VAL A 136 8.901 -10.210 10.415 1.00 0.00 H new ATOM 0 HG21 VAL A 136 7.996 -8.154 8.294 1.00 0.00 H new ATOM 0 HG22 VAL A 136 8.136 -9.896 7.958 1.00 0.00 H new ATOM 0 HG23 VAL A 136 6.597 -9.054 7.661 1.00 0.00 H new ATOM 2294 N VAL A 137 5.637 -11.935 11.818 1.00 0.00 N ATOM 2295 CA VAL A 137 4.953 -12.090 13.094 1.00 0.00 C ATOM 2296 C VAL A 137 5.661 -11.299 14.186 1.00 0.00 C ATOM 2297 O VAL A 137 5.025 -10.643 15.012 1.00 0.00 O ATOM 2298 CB VAL A 137 4.826 -13.569 13.516 1.00 0.00 C ATOM 2299 CG1 VAL A 137 3.848 -14.297 12.609 1.00 0.00 C ATOM 2300 CG2 VAL A 137 6.174 -14.274 13.509 1.00 0.00 C ATOM 0 H VAL A 137 6.201 -12.737 11.537 1.00 0.00 H new ATOM 0 HA VAL A 137 3.945 -11.697 12.959 1.00 0.00 H new ATOM 0 HB VAL A 137 4.447 -13.588 14.538 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.770 -15.339 12.920 1.00 0.00 H new ATOM 0 HG12 VAL A 137 2.868 -13.824 12.676 1.00 0.00 H new ATOM 0 HG13 VAL A 137 4.203 -14.251 11.580 1.00 0.00 H new ATOM 0 HG21 VAL A 137 6.043 -15.313 13.812 1.00 0.00 H new ATOM 0 HG22 VAL A 137 6.598 -14.239 12.505 1.00 0.00 H new ATOM 0 HG23 VAL A 137 6.849 -13.776 14.205 1.00 0.00 H new