USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=17 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= 0.898 K(o=2.2,f=-7.6!) USER MOD Set 1.2: A 103 SER OG : rot 39:sc= 1.27 USER MOD Set 2.1: A 33 SER OG : rot -118:sc= 0.343 USER MOD Set 2.2: A 35 THR OG1 : rot 180:sc= 0.322 USER MOD Single : A 19 HIS : no HE2:sc= -1.57 K(o=-1.5,f=-3.1) USER MOD Single : A 25 LYS NZ :NH3+ 179:sc= 0.0695 (180deg=0.0633) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.711 K(o=-0.71,f=-3.4!) USER MOD Single : A 32 ASN : amide:sc= -0.577 K(o=-0.58,f=-1.2) USER MOD Single : A 37 LYS NZ :NH3+ 157:sc= 1.26 (180deg=0.801) USER MOD Single : A 39 GLN : amide:sc= -0.127 K(o=-0.13,f=-0.83) USER MOD Single : A 46 HIS : no HE2:sc= 0.568 K(o=0.57,f=-4.9!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.616 USER MOD Single : A 52 GLN : amide:sc= 0.376 X(o=0.38,f=-0.023) USER MOD Single : A 53 SER OG : rot -91:sc= 1.34 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 84 GLN : amide:sc= -0.0968 X(o=-0.097,f=-0.58) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 91 LYS NZ :NH3+ -150:sc= -0.205 (180deg=-2.14!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 CYS SG : rot 69:sc= -1.84! USER MOD Single : A 106 LYS NZ :NH3+ 159:sc= 1.25 (180deg=1.22) USER MOD Single : A 107 ASN : amide:sc= -4.39! C(o=-4.4!,f=-4.7!) USER MOD Single : A 108 MET CE :methyl 153:sc= -0.551 (180deg=-1.94) USER MOD Single : A 113 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 115 ASN : amide:sc= -0.0408 X(o=-0.041,f=-0.041) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.658 K(o=-0.66,f=0) USER MOD Single : A 123 THR OG1 : rot -7:sc= -1.18 USER MOD Single : A 130 ASN : amide:sc= -0.408 K(o=-0.41,f=-2.4) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.0031 X(o=-0.0031,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 308 N VAL A 18 0.811 9.153 6.093 1.00 0.00 N ATOM 309 CA VAL A 18 0.374 9.105 4.706 1.00 0.00 C ATOM 310 C VAL A 18 0.807 7.795 4.064 1.00 0.00 C ATOM 311 O VAL A 18 0.019 7.133 3.394 1.00 0.00 O ATOM 312 CB VAL A 18 0.930 10.292 3.895 1.00 0.00 C ATOM 313 CG1 VAL A 18 0.559 10.173 2.423 1.00 0.00 C ATOM 314 CG2 VAL A 18 0.411 11.598 4.467 1.00 0.00 C ATOM 0 HA VAL A 18 -0.714 9.171 4.700 1.00 0.00 H new ATOM 0 HB VAL A 18 2.017 10.278 3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.964 11.024 1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.973 9.250 2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.526 10.160 2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.808 12.432 3.889 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.678 11.609 4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.729 11.692 5.505 1.00 0.00 H new ATOM 324 N HIS A 19 2.051 7.403 4.312 1.00 0.00 N ATOM 325 CA HIS A 19 2.579 6.149 3.784 1.00 0.00 C ATOM 326 C HIS A 19 1.868 4.961 4.428 1.00 0.00 C ATOM 327 O HIS A 19 2.044 3.817 4.009 1.00 0.00 O ATOM 328 CB HIS A 19 4.088 6.054 4.041 1.00 0.00 C ATOM 329 CG HIS A 19 4.807 5.161 3.077 1.00 0.00 C ATOM 330 ND1 HIS A 19 5.552 4.066 3.454 1.00 0.00 N ATOM 331 CD2 HIS A 19 4.910 5.233 1.730 1.00 0.00 C ATOM 332 CE1 HIS A 19 6.080 3.509 2.383 1.00 0.00 C ATOM 333 NE2 HIS A 19 5.710 4.196 1.317 1.00 0.00 N ATOM 0 H HIS A 19 2.714 7.935 4.876 1.00 0.00 H new ATOM 0 HA HIS A 19 2.402 6.127 2.709 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.520 7.053 3.989 1.00 0.00 H new ATOM 0 HB3 HIS A 19 4.253 5.688 5.054 1.00 0.00 H new ATOM 0 HD1 HIS A 19 5.676 3.738 4.412 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.447 5.973 1.094 1.00 0.00 H new ATOM 0 HE1 HIS A 19 6.712 2.633 2.378 1.00 0.00 H new ATOM 342 N GLU A 20 1.061 5.253 5.441 1.00 0.00 N ATOM 343 CA GLU A 20 0.342 4.235 6.187 1.00 0.00 C ATOM 344 C GLU A 20 -1.127 4.175 5.754 1.00 0.00 C ATOM 345 O GLU A 20 -1.569 3.205 5.132 1.00 0.00 O ATOM 346 CB GLU A 20 0.447 4.538 7.689 1.00 0.00 C ATOM 347 CG GLU A 20 -0.168 3.480 8.591 1.00 0.00 C ATOM 348 CD GLU A 20 0.451 2.114 8.389 1.00 0.00 C ATOM 349 OE1 GLU A 20 1.662 2.044 8.083 1.00 0.00 O ATOM 350 OE2 GLU A 20 -0.276 1.107 8.498 1.00 0.00 O ATOM 0 H GLU A 20 0.889 6.204 5.766 1.00 0.00 H new ATOM 0 HA GLU A 20 0.789 3.263 5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.499 4.653 7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.038 5.494 7.889 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.047 3.780 9.632 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.239 3.422 8.399 1.00 0.00 H new ATOM 357 N LEU A 21 -1.861 5.242 6.043 1.00 0.00 N ATOM 358 CA LEU A 21 -3.310 5.258 5.870 1.00 0.00 C ATOM 359 C LEU A 21 -3.718 5.264 4.396 1.00 0.00 C ATOM 360 O LEU A 21 -4.756 4.706 4.036 1.00 0.00 O ATOM 361 CB LEU A 21 -3.911 6.473 6.582 1.00 0.00 C ATOM 362 CG LEU A 21 -3.516 6.632 8.055 1.00 0.00 C ATOM 363 CD1 LEU A 21 -4.151 7.882 8.646 1.00 0.00 C ATOM 364 CD2 LEU A 21 -3.914 5.403 8.855 1.00 0.00 C ATOM 0 H LEU A 21 -1.474 6.115 6.401 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.699 4.341 6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.613 7.373 6.044 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.997 6.409 6.519 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.432 6.737 8.108 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.860 7.978 9.692 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.813 8.758 8.093 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.236 7.806 8.577 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.624 5.538 9.897 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.993 5.263 8.794 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.410 4.526 8.449 1.00 0.00 H new ATOM 376 N ALA A 22 -2.903 5.883 3.545 1.00 0.00 N ATOM 377 CA ALA A 22 -3.229 5.993 2.121 1.00 0.00 C ATOM 378 C ALA A 22 -3.349 4.621 1.462 1.00 0.00 C ATOM 379 O ALA A 22 -4.153 4.436 0.550 1.00 0.00 O ATOM 380 CB ALA A 22 -2.195 6.835 1.391 1.00 0.00 C ATOM 0 H ALA A 22 -2.018 6.314 3.812 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.198 6.487 2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.459 6.902 0.336 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.170 7.836 1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.213 6.372 1.491 1.00 0.00 H new ATOM 386 N ARG A 23 -2.565 3.657 1.939 1.00 0.00 N ATOM 387 CA ARG A 23 -2.599 2.307 1.381 1.00 0.00 C ATOM 388 C ARG A 23 -3.944 1.662 1.671 1.00 0.00 C ATOM 389 O ARG A 23 -4.546 1.026 0.805 1.00 0.00 O ATOM 390 CB ARG A 23 -1.505 1.429 1.986 1.00 0.00 C ATOM 391 CG ARG A 23 -0.142 2.088 2.077 1.00 0.00 C ATOM 392 CD ARG A 23 0.854 1.159 2.752 1.00 0.00 C ATOM 393 NE ARG A 23 0.248 0.459 3.884 1.00 0.00 N ATOM 394 CZ ARG A 23 0.562 0.675 5.162 1.00 0.00 C ATOM 395 NH1 ARG A 23 1.543 1.506 5.484 1.00 0.00 N ATOM 396 NH2 ARG A 23 -0.098 0.040 6.118 1.00 0.00 N ATOM 0 H ARG A 23 -1.903 3.783 2.705 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.437 2.391 0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.814 1.125 2.986 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.415 0.521 1.390 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.211 2.346 1.079 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.218 3.019 2.639 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.224 0.432 2.029 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.714 1.733 3.096 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.464 -0.243 3.682 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.065 1.987 4.751 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.776 1.665 6.464 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.844 -0.612 5.876 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.140 0.203 7.096 1.00 0.00 H new ATOM 410 N VAL A 24 -4.404 1.839 2.903 1.00 0.00 N ATOM 411 CA VAL A 24 -5.656 1.252 3.353 1.00 0.00 C ATOM 412 C VAL A 24 -6.833 1.849 2.596 1.00 0.00 C ATOM 413 O VAL A 24 -7.707 1.124 2.127 1.00 0.00 O ATOM 414 CB VAL A 24 -5.860 1.457 4.870 1.00 0.00 C ATOM 415 CG1 VAL A 24 -7.166 0.826 5.334 1.00 0.00 C ATOM 416 CG2 VAL A 24 -4.685 0.881 5.646 1.00 0.00 C ATOM 0 H VAL A 24 -3.922 2.390 3.613 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.604 0.182 3.151 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.914 2.528 5.064 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.286 0.984 6.406 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -8.000 1.285 4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.148 -0.244 5.125 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.844 1.034 6.713 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.601 -0.186 5.440 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.767 1.382 5.341 1.00 0.00 H new ATOM 426 N LYS A 25 -6.834 3.170 2.452 1.00 0.00 N ATOM 427 CA LYS A 25 -7.923 3.849 1.769 1.00 0.00 C ATOM 428 C LYS A 25 -7.924 3.510 0.279 1.00 0.00 C ATOM 429 O LYS A 25 -8.979 3.482 -0.356 1.00 0.00 O ATOM 430 CB LYS A 25 -7.839 5.361 1.965 1.00 0.00 C ATOM 431 CG LYS A 25 -9.121 6.072 1.571 1.00 0.00 C ATOM 432 CD LYS A 25 -9.022 7.571 1.770 1.00 0.00 C ATOM 433 CE LYS A 25 -10.360 8.246 1.522 1.00 0.00 C ATOM 434 NZ LYS A 25 -10.887 7.965 0.160 1.00 0.00 N ATOM 0 H LYS A 25 -6.098 3.786 2.797 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.857 3.499 2.207 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.615 5.576 3.010 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.013 5.755 1.374 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.348 5.859 0.526 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.949 5.681 2.163 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.686 7.785 2.785 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.273 7.982 1.093 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.080 7.905 2.266 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.252 9.323 1.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.809 8.432 0.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.221 8.328 -0.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.000 6.939 0.036 1.00 0.00 H new ATOM 448 N PHE A 26 -6.743 3.259 -0.279 1.00 0.00 N ATOM 449 CA PHE A 26 -6.650 2.781 -1.652 1.00 0.00 C ATOM 450 C PHE A 26 -7.380 1.453 -1.777 1.00 0.00 C ATOM 451 O PHE A 26 -8.281 1.309 -2.600 1.00 0.00 O ATOM 452 CB PHE A 26 -5.189 2.622 -2.098 1.00 0.00 C ATOM 453 CG PHE A 26 -5.049 1.906 -3.417 1.00 0.00 C ATOM 454 CD1 PHE A 26 -5.394 2.533 -4.604 1.00 0.00 C ATOM 455 CD2 PHE A 26 -4.593 0.597 -3.464 1.00 0.00 C ATOM 456 CE1 PHE A 26 -5.290 1.867 -5.813 1.00 0.00 C ATOM 457 CE2 PHE A 26 -4.483 -0.071 -4.668 1.00 0.00 C ATOM 458 CZ PHE A 26 -4.834 0.562 -5.845 1.00 0.00 C ATOM 0 H PHE A 26 -5.847 3.377 0.194 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.115 3.522 -2.303 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.730 3.607 -2.176 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.639 2.073 -1.333 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.748 3.553 -4.585 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.321 0.094 -2.548 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.565 2.366 -6.730 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.122 -1.089 -4.689 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.752 0.039 -6.787 1.00 0.00 H new ATOM 468 N MET A 27 -6.995 0.496 -0.935 1.00 0.00 N ATOM 469 CA MET A 27 -7.635 -0.816 -0.914 1.00 0.00 C ATOM 470 C MET A 27 -9.135 -0.666 -0.698 1.00 0.00 C ATOM 471 O MET A 27 -9.936 -1.287 -1.393 1.00 0.00 O ATOM 472 CB MET A 27 -7.025 -1.688 0.188 1.00 0.00 C ATOM 473 CG MET A 27 -5.562 -2.035 -0.042 1.00 0.00 C ATOM 474 SD MET A 27 -4.831 -2.925 1.347 1.00 0.00 S ATOM 475 CE MET A 27 -3.187 -3.252 0.716 1.00 0.00 C ATOM 0 H MET A 27 -6.241 0.606 -0.257 1.00 0.00 H new ATOM 0 HA MET A 27 -7.467 -1.302 -1.875 1.00 0.00 H new ATOM 0 HB2 MET A 27 -7.120 -1.170 1.142 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.599 -2.611 0.268 1.00 0.00 H new ATOM 0 HG2 MET A 27 -5.474 -2.641 -0.944 1.00 0.00 H new ATOM 0 HG3 MET A 27 -4.999 -1.119 -0.218 1.00 0.00 H new ATOM 0 HE1 MET A 27 -2.612 -3.798 1.464 1.00 0.00 H new ATOM 0 HE2 MET A 27 -3.258 -3.848 -0.194 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.689 -2.309 0.493 1.00 0.00 H new ATOM 485 N GLN A 28 -9.491 0.187 0.256 1.00 0.00 N ATOM 486 CA GLN A 28 -10.881 0.519 0.554 1.00 0.00 C ATOM 487 C GLN A 28 -11.634 0.902 -0.710 1.00 0.00 C ATOM 488 O GLN A 28 -12.640 0.287 -1.066 1.00 0.00 O ATOM 489 CB GLN A 28 -10.917 1.698 1.521 1.00 0.00 C ATOM 490 CG GLN A 28 -12.303 2.085 2.005 1.00 0.00 C ATOM 491 CD GLN A 28 -12.283 3.394 2.767 1.00 0.00 C ATOM 492 OE1 GLN A 28 -11.286 3.747 3.393 1.00 0.00 O ATOM 493 NE2 GLN A 28 -13.380 4.130 2.716 1.00 0.00 N ATOM 0 H GLN A 28 -8.818 0.672 0.850 1.00 0.00 H new ATOM 0 HA GLN A 28 -11.357 -0.357 0.995 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.299 1.458 2.387 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -10.463 2.562 1.035 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.976 2.170 1.152 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -12.699 1.297 2.645 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.188 3.804 2.186 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.418 5.023 3.207 1.00 0.00 H new ATOM 502 N ASP A 29 -11.123 1.915 -1.397 1.00 0.00 N ATOM 503 CA ASP A 29 -11.807 2.473 -2.550 1.00 0.00 C ATOM 504 C ASP A 29 -11.722 1.558 -3.763 1.00 0.00 C ATOM 505 O ASP A 29 -12.479 1.720 -4.712 1.00 0.00 O ATOM 506 CB ASP A 29 -11.275 3.865 -2.881 1.00 0.00 C ATOM 507 CG ASP A 29 -11.818 4.922 -1.938 1.00 0.00 C ATOM 508 OD1 ASP A 29 -12.880 4.689 -1.320 1.00 0.00 O ATOM 509 OD2 ASP A 29 -11.196 6.002 -1.826 1.00 0.00 O ATOM 0 H ASP A 29 -10.236 2.366 -1.173 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.861 2.562 -2.285 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.186 3.858 -2.829 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.544 4.121 -3.906 1.00 0.00 H new ATOM 514 N VAL A 30 -10.810 0.596 -3.733 1.00 0.00 N ATOM 515 CA VAL A 30 -10.759 -0.428 -4.771 1.00 0.00 C ATOM 516 C VAL A 30 -11.927 -1.394 -4.599 1.00 0.00 C ATOM 517 O VAL A 30 -12.531 -1.843 -5.576 1.00 0.00 O ATOM 518 CB VAL A 30 -9.420 -1.204 -4.748 1.00 0.00 C ATOM 519 CG1 VAL A 30 -9.472 -2.414 -5.667 1.00 0.00 C ATOM 520 CG2 VAL A 30 -8.276 -0.295 -5.157 1.00 0.00 C ATOM 0 H VAL A 30 -10.099 0.502 -3.007 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.833 0.070 -5.737 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.253 -1.553 -3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.518 -2.940 -5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.268 -3.084 -5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.667 -2.087 -6.688 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.341 -0.855 -5.136 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.452 0.080 -6.165 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.212 0.544 -4.464 1.00 0.00 H new ATOM 530 N VAL A 31 -12.251 -1.687 -3.343 1.00 0.00 N ATOM 531 CA VAL A 31 -13.386 -2.543 -3.016 1.00 0.00 C ATOM 532 C VAL A 31 -14.691 -1.766 -3.196 1.00 0.00 C ATOM 533 O VAL A 31 -15.748 -2.337 -3.472 1.00 0.00 O ATOM 534 CB VAL A 31 -13.291 -3.068 -1.564 1.00 0.00 C ATOM 535 CG1 VAL A 31 -14.352 -4.122 -1.293 1.00 0.00 C ATOM 536 CG2 VAL A 31 -11.908 -3.629 -1.285 1.00 0.00 C ATOM 0 H VAL A 31 -11.740 -1.342 -2.531 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.370 -3.398 -3.692 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.467 -2.227 -0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -14.262 -4.473 -0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -15.341 -3.690 -1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -14.215 -4.960 -1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.863 -3.993 -0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.704 -4.451 -1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.163 -2.846 -1.425 1.00 0.00 H new ATOM 546 N ASN A 32 -14.597 -0.449 -3.048 1.00 0.00 N ATOM 547 CA ASN A 32 -15.736 0.436 -3.237 1.00 0.00 C ATOM 548 C ASN A 32 -15.997 0.644 -4.719 1.00 0.00 C ATOM 549 O ASN A 32 -17.143 0.693 -5.164 1.00 0.00 O ATOM 550 CB ASN A 32 -15.479 1.792 -2.568 1.00 0.00 C ATOM 551 CG ASN A 32 -15.599 1.742 -1.061 1.00 0.00 C ATOM 552 OD1 ASN A 32 -16.377 0.963 -0.511 1.00 0.00 O ATOM 553 ND2 ASN A 32 -14.826 2.576 -0.379 1.00 0.00 N ATOM 0 H ASN A 32 -13.733 0.031 -2.795 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.609 -0.027 -2.778 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.481 2.139 -2.836 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -16.187 2.523 -2.959 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.863 2.588 0.640 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -14.194 3.206 -0.874 1.00 0.00 H new ATOM 560 N SER A 33 -14.920 0.754 -5.478 1.00 0.00 N ATOM 561 CA SER A 33 -15.013 0.988 -6.902 1.00 0.00 C ATOM 562 C SER A 33 -15.359 -0.308 -7.615 1.00 0.00 C ATOM 563 O SER A 33 -15.131 -1.394 -7.083 1.00 0.00 O ATOM 564 CB SER A 33 -13.686 1.551 -7.427 1.00 0.00 C ATOM 565 OG SER A 33 -13.750 1.853 -8.812 1.00 0.00 O ATOM 0 H SER A 33 -13.966 0.684 -5.125 1.00 0.00 H new ATOM 0 HA SER A 33 -15.801 1.716 -7.096 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.429 2.452 -6.871 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.890 0.828 -7.249 1.00 0.00 H new ATOM 0 HG SER A 33 -13.103 1.300 -9.298 1.00 0.00 H new ATOM 571 N ASP A 34 -15.877 -0.197 -8.829 1.00 0.00 N ATOM 572 CA ASP A 34 -16.266 -1.370 -9.609 1.00 0.00 C ATOM 573 C ASP A 34 -15.028 -2.145 -10.062 1.00 0.00 C ATOM 574 O ASP A 34 -15.128 -3.144 -10.776 1.00 0.00 O ATOM 575 CB ASP A 34 -17.113 -0.964 -10.815 1.00 0.00 C ATOM 576 CG ASP A 34 -18.267 -1.917 -11.056 1.00 0.00 C ATOM 577 OD1 ASP A 34 -18.024 -3.085 -11.413 1.00 0.00 O ATOM 578 OD2 ASP A 34 -19.432 -1.501 -10.860 1.00 0.00 O ATOM 0 H ASP A 34 -16.039 0.694 -9.299 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.868 -2.018 -8.972 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.502 0.042 -10.660 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.482 -0.929 -11.703 1.00 0.00 H new ATOM 583 N THR A 35 -13.863 -1.649 -9.663 1.00 0.00 N ATOM 584 CA THR A 35 -12.598 -2.324 -9.900 1.00 0.00 C ATOM 585 C THR A 35 -12.622 -3.732 -9.302 1.00 0.00 C ATOM 586 O THR A 35 -12.397 -4.718 -10.002 1.00 0.00 O ATOM 587 CB THR A 35 -11.442 -1.510 -9.285 1.00 0.00 C ATOM 588 OG1 THR A 35 -11.613 -0.121 -9.609 1.00 0.00 O ATOM 589 CG2 THR A 35 -10.088 -1.988 -9.797 1.00 0.00 C ATOM 0 H THR A 35 -13.771 -0.764 -9.164 1.00 0.00 H new ATOM 0 HA THR A 35 -12.444 -2.405 -10.976 1.00 0.00 H new ATOM 0 HB THR A 35 -11.464 -1.651 -8.204 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.880 0.399 -9.218 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.296 -1.392 -9.343 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.949 -3.037 -9.534 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.049 -1.877 -10.881 1.00 0.00 H new ATOM 597 N PHE A 36 -12.920 -3.825 -8.007 1.00 0.00 N ATOM 598 CA PHE A 36 -13.004 -5.117 -7.335 1.00 0.00 C ATOM 599 C PHE A 36 -14.206 -5.178 -6.398 1.00 0.00 C ATOM 600 O PHE A 36 -14.239 -5.985 -5.475 1.00 0.00 O ATOM 601 CB PHE A 36 -11.716 -5.413 -6.560 1.00 0.00 C ATOM 602 CG PHE A 36 -10.572 -5.865 -7.429 1.00 0.00 C ATOM 603 CD1 PHE A 36 -10.474 -7.189 -7.830 1.00 0.00 C ATOM 604 CD2 PHE A 36 -9.595 -4.973 -7.840 1.00 0.00 C ATOM 605 CE1 PHE A 36 -9.426 -7.611 -8.624 1.00 0.00 C ATOM 606 CE2 PHE A 36 -8.544 -5.390 -8.633 1.00 0.00 C ATOM 607 CZ PHE A 36 -8.459 -6.710 -9.027 1.00 0.00 C ATOM 0 H PHE A 36 -13.106 -3.023 -7.405 1.00 0.00 H new ATOM 0 HA PHE A 36 -13.133 -5.878 -8.104 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -11.416 -4.516 -6.018 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.920 -6.182 -5.815 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -11.226 -7.898 -7.518 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.656 -3.938 -7.536 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.362 -8.645 -8.930 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.789 -4.683 -8.945 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.639 -7.038 -9.649 1.00 0.00 H new ATOM 617 N LYS A 37 -15.200 -4.334 -6.655 1.00 0.00 N ATOM 618 CA LYS A 37 -16.442 -4.330 -5.877 1.00 0.00 C ATOM 619 C LYS A 37 -17.129 -5.697 -5.917 1.00 0.00 C ATOM 620 O LYS A 37 -17.796 -6.103 -4.959 1.00 0.00 O ATOM 621 CB LYS A 37 -17.382 -3.253 -6.424 1.00 0.00 C ATOM 622 CG LYS A 37 -18.711 -3.143 -5.697 1.00 0.00 C ATOM 623 CD LYS A 37 -19.535 -1.994 -6.248 1.00 0.00 C ATOM 624 CE LYS A 37 -19.748 -2.137 -7.747 1.00 0.00 C ATOM 625 NZ LYS A 37 -20.361 -0.921 -8.340 1.00 0.00 N ATOM 0 H LYS A 37 -15.172 -3.638 -7.400 1.00 0.00 H new ATOM 0 HA LYS A 37 -16.197 -4.111 -4.838 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.876 -2.289 -6.375 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.575 -3.459 -7.477 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -19.265 -4.076 -5.800 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.536 -2.993 -4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -20.500 -1.961 -5.743 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -19.033 -1.050 -6.038 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.792 -2.334 -8.232 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.388 -2.998 -7.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -20.141 -0.882 -9.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -21.392 -0.953 -8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -19.979 -0.075 -7.870 1.00 0.00 H new ATOM 639 N GLY A 38 -16.960 -6.404 -7.028 1.00 0.00 N ATOM 640 CA GLY A 38 -17.535 -7.729 -7.168 1.00 0.00 C ATOM 641 C GLY A 38 -16.722 -8.794 -6.454 1.00 0.00 C ATOM 642 O GLY A 38 -17.119 -9.959 -6.401 1.00 0.00 O ATOM 0 H GLY A 38 -16.432 -6.081 -7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.550 -7.725 -6.771 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.607 -7.980 -8.226 1.00 0.00 H new ATOM 646 N GLN A 39 -15.582 -8.397 -5.907 1.00 0.00 N ATOM 647 CA GLN A 39 -14.722 -9.313 -5.178 1.00 0.00 C ATOM 648 C GLN A 39 -14.802 -9.031 -3.684 1.00 0.00 C ATOM 649 O GLN A 39 -14.533 -7.916 -3.239 1.00 0.00 O ATOM 650 CB GLN A 39 -13.272 -9.193 -5.656 1.00 0.00 C ATOM 651 CG GLN A 39 -13.079 -9.557 -7.119 1.00 0.00 C ATOM 652 CD GLN A 39 -13.503 -10.979 -7.428 1.00 0.00 C ATOM 653 OE1 GLN A 39 -13.434 -11.862 -6.573 1.00 0.00 O ATOM 654 NE2 GLN A 39 -13.935 -11.214 -8.656 1.00 0.00 N ATOM 0 H GLN A 39 -15.231 -7.440 -5.956 1.00 0.00 H new ATOM 0 HA GLN A 39 -15.066 -10.330 -5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.930 -8.170 -5.497 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.642 -9.839 -5.044 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.652 -8.868 -7.739 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.030 -9.429 -7.386 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.977 -10.455 -9.336 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.226 -12.154 -8.923 1.00 0.00 H new ATOM 663 N PRO A 40 -15.209 -10.030 -2.892 1.00 0.00 N ATOM 664 CA PRO A 40 -15.325 -9.889 -1.440 1.00 0.00 C ATOM 665 C PRO A 40 -13.973 -9.673 -0.761 1.00 0.00 C ATOM 666 O PRO A 40 -13.746 -8.641 -0.127 1.00 0.00 O ATOM 667 CB PRO A 40 -15.950 -11.218 -0.991 1.00 0.00 C ATOM 668 CG PRO A 40 -16.507 -11.828 -2.231 1.00 0.00 C ATOM 669 CD PRO A 40 -15.615 -11.366 -3.345 1.00 0.00 C ATOM 0 HA PRO A 40 -15.918 -9.016 -1.168 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -15.205 -11.868 -0.533 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -16.731 -11.055 -0.248 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -16.517 -12.916 -2.162 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -17.536 -11.510 -2.396 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.759 -12.027 -3.480 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -16.142 -11.329 -4.298 1.00 0.00 H new ATOM 677 N ILE A 41 -13.076 -10.648 -0.892 1.00 0.00 N ATOM 678 CA ILE A 41 -11.781 -10.589 -0.219 1.00 0.00 C ATOM 679 C ILE A 41 -10.646 -10.766 -1.236 1.00 0.00 C ATOM 680 O ILE A 41 -10.878 -11.222 -2.358 1.00 0.00 O ATOM 681 CB ILE A 41 -11.663 -11.682 0.878 1.00 0.00 C ATOM 682 CG1 ILE A 41 -12.983 -11.862 1.639 1.00 0.00 C ATOM 683 CG2 ILE A 41 -10.556 -11.333 1.860 1.00 0.00 C ATOM 684 CD1 ILE A 41 -13.417 -10.642 2.429 1.00 0.00 C ATOM 0 H ILE A 41 -13.221 -11.485 -1.456 1.00 0.00 H new ATOM 0 HA ILE A 41 -11.700 -9.611 0.256 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.424 -12.620 0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -13.768 -12.118 0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.884 -12.706 2.321 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -10.487 -12.110 2.622 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.607 -11.261 1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.779 -10.378 2.335 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -14.358 -10.853 2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.654 -10.396 3.167 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.551 -9.799 1.752 1.00 0.00 H new ATOM 696 N PHE A 42 -9.426 -10.407 -0.841 1.00 0.00 N ATOM 697 CA PHE A 42 -8.264 -10.516 -1.718 1.00 0.00 C ATOM 698 C PHE A 42 -7.317 -11.623 -1.240 1.00 0.00 C ATOM 699 O PHE A 42 -7.719 -12.518 -0.491 1.00 0.00 O ATOM 700 CB PHE A 42 -7.523 -9.177 -1.781 1.00 0.00 C ATOM 701 CG PHE A 42 -8.306 -8.076 -2.430 1.00 0.00 C ATOM 702 CD1 PHE A 42 -8.410 -8.002 -3.810 1.00 0.00 C ATOM 703 CD2 PHE A 42 -8.928 -7.110 -1.663 1.00 0.00 C ATOM 704 CE1 PHE A 42 -9.124 -6.984 -4.409 1.00 0.00 C ATOM 705 CE2 PHE A 42 -9.641 -6.090 -2.256 1.00 0.00 C ATOM 706 CZ PHE A 42 -9.740 -6.025 -3.630 1.00 0.00 C ATOM 0 H PHE A 42 -9.217 -10.036 0.086 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.614 -10.776 -2.717 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.258 -8.872 -0.769 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.590 -9.315 -2.327 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.927 -8.749 -4.423 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.855 -7.154 -0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.201 -6.938 -5.485 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.122 -5.341 -1.644 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.298 -5.226 -4.095 1.00 0.00 H new ATOM 716 N ASP A 43 -6.064 -11.559 -1.689 1.00 0.00 N ATOM 717 CA ASP A 43 -5.052 -12.554 -1.355 1.00 0.00 C ATOM 718 C ASP A 43 -3.695 -11.881 -1.152 1.00 0.00 C ATOM 719 O ASP A 43 -3.584 -10.659 -1.261 1.00 0.00 O ATOM 720 CB ASP A 43 -4.960 -13.598 -2.472 1.00 0.00 C ATOM 721 CG ASP A 43 -4.779 -12.969 -3.840 1.00 0.00 C ATOM 722 OD1 ASP A 43 -3.652 -12.571 -4.176 1.00 0.00 O ATOM 723 OD2 ASP A 43 -5.773 -12.862 -4.590 1.00 0.00 O ATOM 0 H ASP A 43 -5.724 -10.813 -2.296 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.337 -13.050 -0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.125 -14.269 -2.270 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.864 -14.206 -2.472 1.00 0.00 H new ATOM 728 N HIS A 44 -2.662 -12.680 -0.887 1.00 0.00 N ATOM 729 CA HIS A 44 -1.322 -12.154 -0.610 1.00 0.00 C ATOM 730 C HIS A 44 -0.582 -11.808 -1.897 1.00 0.00 C ATOM 731 O HIS A 44 0.360 -11.012 -1.885 1.00 0.00 O ATOM 732 CB HIS A 44 -0.498 -13.154 0.208 1.00 0.00 C ATOM 733 CG HIS A 44 -0.676 -13.019 1.691 1.00 0.00 C ATOM 734 ND1 HIS A 44 0.384 -12.858 2.561 1.00 0.00 N ATOM 735 CD2 HIS A 44 -1.791 -13.032 2.460 1.00 0.00 C ATOM 736 CE1 HIS A 44 -0.073 -12.777 3.798 1.00 0.00 C ATOM 737 NE2 HIS A 44 -1.385 -12.877 3.763 1.00 0.00 N ATOM 0 H HIS A 44 -2.726 -13.698 -0.858 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.449 -11.241 -0.029 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.772 -14.166 -0.090 1.00 0.00 H new ATOM 0 HB3 HIS A 44 0.557 -13.025 -0.035 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.808 -13.143 2.114 1.00 0.00 H new ATOM 0 HE1 HIS A 44 0.528 -12.650 4.687 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -2.002 -12.845 4.574 1.00 0.00 H new ATOM 746 N ALA A 45 -0.999 -12.404 -3.005 1.00 0.00 N ATOM 747 CA ALA A 45 -0.430 -12.064 -4.298 1.00 0.00 C ATOM 748 C ALA A 45 -0.896 -10.673 -4.701 1.00 0.00 C ATOM 749 O ALA A 45 -0.138 -9.881 -5.260 1.00 0.00 O ATOM 750 CB ALA A 45 -0.813 -13.094 -5.350 1.00 0.00 C ATOM 0 H ALA A 45 -1.724 -13.120 -3.034 1.00 0.00 H new ATOM 0 HA ALA A 45 0.657 -12.068 -4.222 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.374 -12.816 -6.308 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.441 -14.074 -5.052 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.898 -13.131 -5.445 1.00 0.00 H new ATOM 756 N HIS A 46 -2.150 -10.377 -4.385 1.00 0.00 N ATOM 757 CA HIS A 46 -2.694 -9.041 -4.575 1.00 0.00 C ATOM 758 C HIS A 46 -2.027 -8.050 -3.632 1.00 0.00 C ATOM 759 O HIS A 46 -1.966 -6.857 -3.926 1.00 0.00 O ATOM 760 CB HIS A 46 -4.211 -9.032 -4.379 1.00 0.00 C ATOM 761 CG HIS A 46 -4.965 -9.309 -5.640 1.00 0.00 C ATOM 762 ND1 HIS A 46 -5.570 -10.514 -5.918 1.00 0.00 N ATOM 763 CD2 HIS A 46 -5.202 -8.518 -6.710 1.00 0.00 C ATOM 764 CE1 HIS A 46 -6.144 -10.450 -7.105 1.00 0.00 C ATOM 765 NE2 HIS A 46 -5.936 -9.249 -7.609 1.00 0.00 N ATOM 0 H HIS A 46 -2.811 -11.048 -3.994 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.484 -8.736 -5.600 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.479 -9.778 -3.631 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.515 -8.062 -3.986 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -5.574 -11.328 -5.303 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.873 -7.497 -6.834 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.692 -11.248 -7.584 1.00 0.00 H new ATOM 774 N THR A 47 -1.527 -8.543 -2.502 1.00 0.00 N ATOM 775 CA THR A 47 -0.735 -7.719 -1.604 1.00 0.00 C ATOM 776 C THR A 47 0.473 -7.157 -2.335 1.00 0.00 C ATOM 777 O THR A 47 0.587 -5.951 -2.520 1.00 0.00 O ATOM 778 CB THR A 47 -0.241 -8.504 -0.374 1.00 0.00 C ATOM 779 OG1 THR A 47 -1.354 -8.974 0.397 1.00 0.00 O ATOM 780 CG2 THR A 47 0.670 -7.636 0.490 1.00 0.00 C ATOM 0 H THR A 47 -1.657 -9.505 -2.190 1.00 0.00 H new ATOM 0 HA THR A 47 -1.385 -6.914 -1.262 1.00 0.00 H new ATOM 0 HB THR A 47 0.332 -9.363 -0.724 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.026 -9.472 1.174 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.008 -8.210 1.353 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.533 -7.319 -0.095 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.121 -6.758 0.830 1.00 0.00 H new ATOM 788 N ARG A 48 1.361 -8.044 -2.780 1.00 0.00 N ATOM 789 CA ARG A 48 2.582 -7.619 -3.451 1.00 0.00 C ATOM 790 C ARG A 48 2.267 -6.843 -4.726 1.00 0.00 C ATOM 791 O ARG A 48 2.993 -5.923 -5.085 1.00 0.00 O ATOM 792 CB ARG A 48 3.499 -8.811 -3.752 1.00 0.00 C ATOM 793 CG ARG A 48 2.795 -10.019 -4.349 1.00 0.00 C ATOM 794 CD ARG A 48 3.792 -11.108 -4.710 1.00 0.00 C ATOM 795 NE ARG A 48 3.148 -12.388 -4.997 1.00 0.00 N ATOM 796 CZ ARG A 48 3.511 -13.199 -5.989 1.00 0.00 C ATOM 797 NH1 ARG A 48 4.469 -12.834 -6.836 1.00 0.00 N ATOM 798 NH2 ARG A 48 2.909 -14.373 -6.137 1.00 0.00 N ATOM 0 H ARG A 48 1.257 -9.054 -2.688 1.00 0.00 H new ATOM 0 HA ARG A 48 3.113 -6.953 -2.771 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.280 -8.486 -4.439 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.992 -9.115 -2.829 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.067 -10.409 -3.637 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.241 -9.719 -5.239 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.369 -10.793 -5.579 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.497 -11.236 -3.889 1.00 0.00 H new ATOM 0 HE ARG A 48 2.373 -12.678 -4.401 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.929 -11.930 -6.727 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.744 -13.458 -7.594 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.170 -14.652 -5.492 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.185 -14.996 -6.896 1.00 0.00 H new ATOM 812 N GLU A 49 1.169 -7.197 -5.382 1.00 0.00 N ATOM 813 CA GLU A 49 0.731 -6.491 -6.579 1.00 0.00 C ATOM 814 C GLU A 49 0.410 -5.028 -6.259 1.00 0.00 C ATOM 815 O GLU A 49 0.904 -4.115 -6.925 1.00 0.00 O ATOM 816 CB GLU A 49 -0.487 -7.197 -7.184 1.00 0.00 C ATOM 817 CG GLU A 49 -1.001 -6.562 -8.465 1.00 0.00 C ATOM 818 CD GLU A 49 -1.984 -7.451 -9.195 1.00 0.00 C ATOM 819 OE1 GLU A 49 -3.188 -7.413 -8.867 1.00 0.00 O ATOM 820 OE2 GLU A 49 -1.553 -8.199 -10.099 1.00 0.00 O ATOM 0 H GLU A 49 0.565 -7.970 -5.104 1.00 0.00 H new ATOM 0 HA GLU A 49 1.540 -6.502 -7.309 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.228 -8.236 -7.385 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.291 -7.206 -6.448 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.480 -5.612 -8.229 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.159 -6.341 -9.121 1.00 0.00 H new ATOM 827 N PHE A 50 -0.395 -4.809 -5.224 1.00 0.00 N ATOM 828 CA PHE A 50 -0.780 -3.455 -4.831 1.00 0.00 C ATOM 829 C PHE A 50 0.372 -2.719 -4.156 1.00 0.00 C ATOM 830 O PHE A 50 0.582 -1.533 -4.396 1.00 0.00 O ATOM 831 CB PHE A 50 -1.996 -3.474 -3.898 1.00 0.00 C ATOM 832 CG PHE A 50 -3.291 -3.801 -4.586 1.00 0.00 C ATOM 833 CD1 PHE A 50 -3.539 -3.355 -5.874 1.00 0.00 C ATOM 834 CD2 PHE A 50 -4.268 -4.540 -3.937 1.00 0.00 C ATOM 835 CE1 PHE A 50 -4.734 -3.641 -6.504 1.00 0.00 C ATOM 836 CE2 PHE A 50 -5.467 -4.830 -4.563 1.00 0.00 C ATOM 837 CZ PHE A 50 -5.699 -4.379 -5.848 1.00 0.00 C ATOM 0 H PHE A 50 -0.793 -5.547 -4.643 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.044 -2.922 -5.745 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.823 -4.204 -3.107 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.088 -2.500 -3.418 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.788 -2.776 -6.392 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.091 -4.893 -2.932 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.914 -3.288 -7.509 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.220 -5.408 -4.048 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.634 -4.604 -6.339 1.00 0.00 H new ATOM 847 N ILE A 51 1.118 -3.420 -3.312 1.00 0.00 N ATOM 848 CA ILE A 51 2.218 -2.801 -2.581 1.00 0.00 C ATOM 849 C ILE A 51 3.328 -2.355 -3.535 1.00 0.00 C ATOM 850 O ILE A 51 3.854 -1.245 -3.417 1.00 0.00 O ATOM 851 CB ILE A 51 2.795 -3.745 -1.504 1.00 0.00 C ATOM 852 CG1 ILE A 51 1.721 -4.092 -0.467 1.00 0.00 C ATOM 853 CG2 ILE A 51 3.999 -3.113 -0.820 1.00 0.00 C ATOM 854 CD1 ILE A 51 1.126 -2.884 0.231 1.00 0.00 C ATOM 0 H ILE A 51 0.983 -4.412 -3.117 1.00 0.00 H new ATOM 0 HA ILE A 51 1.811 -1.924 -2.078 1.00 0.00 H new ATOM 0 HB ILE A 51 3.120 -4.662 -1.995 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.921 -4.646 -0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.154 -4.755 0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.389 -3.796 -0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.773 -2.910 -1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.699 -2.180 -0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.374 -3.212 0.949 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.914 -2.341 0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.662 -2.230 -0.507 1.00 0.00 H new ATOM 866 N GLN A 52 3.660 -3.213 -4.495 1.00 0.00 N ATOM 867 CA GLN A 52 4.701 -2.907 -5.469 1.00 0.00 C ATOM 868 C GLN A 52 4.316 -1.699 -6.314 1.00 0.00 C ATOM 869 O GLN A 52 5.115 -0.779 -6.494 1.00 0.00 O ATOM 870 CB GLN A 52 4.963 -4.112 -6.377 1.00 0.00 C ATOM 871 CG GLN A 52 6.031 -3.875 -7.434 1.00 0.00 C ATOM 872 CD GLN A 52 7.387 -3.551 -6.838 1.00 0.00 C ATOM 873 OE1 GLN A 52 8.187 -4.444 -6.561 1.00 0.00 O ATOM 874 NE2 GLN A 52 7.663 -2.271 -6.648 1.00 0.00 N ATOM 0 H GLN A 52 3.223 -4.126 -4.619 1.00 0.00 H new ATOM 0 HA GLN A 52 5.613 -2.673 -4.919 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.260 -4.960 -5.760 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.032 -4.389 -6.872 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.118 -4.762 -8.061 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.719 -3.056 -8.082 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.974 -1.559 -6.890 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.565 -1.996 -6.259 1.00 0.00 H new ATOM 883 N SER A 53 3.088 -1.699 -6.821 1.00 0.00 N ATOM 884 CA SER A 53 2.622 -0.623 -7.683 1.00 0.00 C ATOM 885 C SER A 53 2.488 0.686 -6.908 1.00 0.00 C ATOM 886 O SER A 53 2.721 1.764 -7.454 1.00 0.00 O ATOM 887 CB SER A 53 1.292 -1.009 -8.335 1.00 0.00 C ATOM 888 OG SER A 53 0.379 -1.510 -7.376 1.00 0.00 O ATOM 0 H SER A 53 2.399 -2.432 -6.649 1.00 0.00 H new ATOM 0 HA SER A 53 3.363 -0.467 -8.467 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.861 -0.140 -8.832 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.466 -1.762 -9.104 1.00 0.00 H new ATOM 0 HG SER A 53 0.470 -2.484 -7.315 1.00 0.00 H new ATOM 894 N PHE A 54 2.134 0.587 -5.630 1.00 0.00 N ATOM 895 CA PHE A 54 2.020 1.759 -4.767 1.00 0.00 C ATOM 896 C PHE A 54 3.367 2.469 -4.635 1.00 0.00 C ATOM 897 O PHE A 54 3.435 3.699 -4.640 1.00 0.00 O ATOM 898 CB PHE A 54 1.501 1.349 -3.385 1.00 0.00 C ATOM 899 CG PHE A 54 1.251 2.506 -2.456 1.00 0.00 C ATOM 900 CD1 PHE A 54 0.091 3.257 -2.564 1.00 0.00 C ATOM 901 CD2 PHE A 54 2.172 2.838 -1.475 1.00 0.00 C ATOM 902 CE1 PHE A 54 -0.145 4.318 -1.711 1.00 0.00 C ATOM 903 CE2 PHE A 54 1.941 3.899 -0.620 1.00 0.00 C ATOM 904 CZ PHE A 54 0.782 4.640 -0.738 1.00 0.00 C ATOM 0 H PHE A 54 1.920 -0.297 -5.167 1.00 0.00 H new ATOM 0 HA PHE A 54 1.311 2.451 -5.221 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.574 0.789 -3.508 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.222 0.675 -2.923 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.636 3.010 -3.323 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.080 2.261 -1.378 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.053 4.895 -1.805 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.667 4.148 0.140 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.600 5.470 -0.071 1.00 0.00 H new ATOM 914 N ILE A 55 4.434 1.687 -4.526 1.00 0.00 N ATOM 915 CA ILE A 55 5.778 2.241 -4.395 1.00 0.00 C ATOM 916 C ILE A 55 6.336 2.641 -5.761 1.00 0.00 C ATOM 917 O ILE A 55 6.984 3.680 -5.902 1.00 0.00 O ATOM 918 CB ILE A 55 6.734 1.235 -3.716 1.00 0.00 C ATOM 919 CG1 ILE A 55 6.210 0.870 -2.324 1.00 0.00 C ATOM 920 CG2 ILE A 55 8.143 1.808 -3.623 1.00 0.00 C ATOM 921 CD1 ILE A 55 7.053 -0.162 -1.601 1.00 0.00 C ATOM 0 H ILE A 55 4.396 0.668 -4.526 1.00 0.00 H new ATOM 0 HA ILE A 55 5.705 3.129 -3.767 1.00 0.00 H new ATOM 0 HB ILE A 55 6.776 0.331 -4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.160 1.774 -1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.192 0.492 -2.417 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.800 1.083 -3.142 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.514 2.025 -4.625 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.124 2.726 -3.036 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.617 -0.367 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.083 -1.082 -2.185 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.066 0.220 -1.474 1.00 0.00 H new ATOM 933 N GLU A 56 6.064 1.825 -6.774 1.00 0.00 N ATOM 934 CA GLU A 56 6.534 2.101 -8.129 1.00 0.00 C ATOM 935 C GLU A 56 5.834 3.341 -8.689 1.00 0.00 C ATOM 936 O GLU A 56 6.302 3.962 -9.641 1.00 0.00 O ATOM 937 CB GLU A 56 6.289 0.888 -9.034 1.00 0.00 C ATOM 938 CG GLU A 56 6.945 0.998 -10.402 1.00 0.00 C ATOM 939 CD GLU A 56 6.761 -0.251 -11.237 1.00 0.00 C ATOM 940 OE1 GLU A 56 7.532 -1.213 -11.051 1.00 0.00 O ATOM 941 OE2 GLU A 56 5.845 -0.280 -12.082 1.00 0.00 O ATOM 0 H GLU A 56 5.520 0.967 -6.683 1.00 0.00 H new ATOM 0 HA GLU A 56 7.606 2.295 -8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.661 -0.007 -8.534 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.215 0.757 -9.166 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.526 1.852 -10.934 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.010 1.193 -10.276 1.00 0.00 H new ATOM 948 N ARG A 57 4.717 3.697 -8.064 1.00 0.00 N ATOM 949 CA ARG A 57 3.956 4.889 -8.420 1.00 0.00 C ATOM 950 C ARG A 57 4.842 6.136 -8.394 1.00 0.00 C ATOM 951 O ARG A 57 4.693 7.032 -9.225 1.00 0.00 O ATOM 952 CB ARG A 57 2.803 5.062 -7.433 1.00 0.00 C ATOM 953 CG ARG A 57 1.836 6.182 -7.778 1.00 0.00 C ATOM 954 CD ARG A 57 1.295 6.844 -6.517 1.00 0.00 C ATOM 955 NE ARG A 57 2.144 7.955 -6.079 1.00 0.00 N ATOM 956 CZ ARG A 57 3.221 7.834 -5.301 1.00 0.00 C ATOM 957 NH1 ARG A 57 3.572 6.655 -4.798 1.00 0.00 N ATOM 958 NH2 ARG A 57 3.956 8.903 -5.027 1.00 0.00 N ATOM 0 H ARG A 57 4.312 3.165 -7.293 1.00 0.00 H new ATOM 0 HA ARG A 57 3.570 4.765 -9.432 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.248 4.126 -7.376 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.216 5.249 -6.442 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.340 6.925 -8.396 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.010 5.785 -8.368 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.285 7.210 -6.703 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.224 6.104 -5.720 1.00 0.00 H new ATOM 0 HE ARG A 57 1.892 8.892 -6.393 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.015 5.826 -5.005 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.398 6.579 -4.205 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.697 9.812 -5.410 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.780 8.816 -4.433 1.00 0.00 H new ATOM 972 N ASP A 58 5.778 6.179 -7.447 1.00 0.00 N ATOM 973 CA ASP A 58 6.661 7.335 -7.291 1.00 0.00 C ATOM 974 C ASP A 58 7.566 7.519 -8.502 1.00 0.00 C ATOM 975 O ASP A 58 8.047 8.622 -8.761 1.00 0.00 O ATOM 976 CB ASP A 58 7.506 7.221 -6.019 1.00 0.00 C ATOM 977 CG ASP A 58 6.759 7.689 -4.787 1.00 0.00 C ATOM 978 OD1 ASP A 58 6.726 8.914 -4.535 1.00 0.00 O ATOM 979 OD2 ASP A 58 6.189 6.846 -4.066 1.00 0.00 O ATOM 0 H ASP A 58 5.945 5.428 -6.777 1.00 0.00 H new ATOM 0 HA ASP A 58 6.021 8.213 -7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.814 6.184 -5.882 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.415 7.811 -6.136 1.00 0.00 H new ATOM 984 N ASP A 59 7.778 6.449 -9.261 1.00 0.00 N ATOM 985 CA ASP A 59 8.590 6.528 -10.472 1.00 0.00 C ATOM 986 C ASP A 59 7.866 7.339 -11.538 1.00 0.00 C ATOM 987 O ASP A 59 8.486 7.885 -12.447 1.00 0.00 O ATOM 988 CB ASP A 59 8.914 5.130 -11.006 1.00 0.00 C ATOM 989 CG ASP A 59 9.706 5.170 -12.302 1.00 0.00 C ATOM 990 OD1 ASP A 59 10.898 5.554 -12.267 1.00 0.00 O ATOM 991 OD2 ASP A 59 9.140 4.825 -13.361 1.00 0.00 O ATOM 0 H ASP A 59 7.402 5.522 -9.062 1.00 0.00 H new ATOM 0 HA ASP A 59 9.527 7.025 -10.221 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.481 4.580 -10.255 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.985 4.583 -11.168 1.00 0.00 H new ATOM 996 N THR A 60 6.549 7.441 -11.400 1.00 0.00 N ATOM 997 CA THR A 60 5.738 8.204 -12.333 1.00 0.00 C ATOM 998 C THR A 60 5.854 9.700 -12.034 1.00 0.00 C ATOM 999 O THR A 60 5.728 10.537 -12.927 1.00 0.00 O ATOM 1000 CB THR A 60 4.264 7.758 -12.272 1.00 0.00 C ATOM 1001 OG1 THR A 60 4.194 6.327 -12.339 1.00 0.00 O ATOM 1002 CG2 THR A 60 3.460 8.354 -13.420 1.00 0.00 C ATOM 0 H THR A 60 6.021 7.001 -10.646 1.00 0.00 H new ATOM 0 HA THR A 60 6.108 8.017 -13.341 1.00 0.00 H new ATOM 0 HB THR A 60 3.839 8.112 -11.333 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.257 6.043 -12.298 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.424 8.021 -13.350 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.496 9.442 -13.363 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.883 8.026 -14.369 1.00 0.00 H new ATOM 1010 N GLU A 61 6.116 10.034 -10.773 1.00 0.00 N ATOM 1011 CA GLU A 61 6.364 11.420 -10.396 1.00 0.00 C ATOM 1012 C GLU A 61 7.829 11.760 -10.628 1.00 0.00 C ATOM 1013 O GLU A 61 8.173 12.881 -10.998 1.00 0.00 O ATOM 1014 CB GLU A 61 5.973 11.674 -8.940 1.00 0.00 C ATOM 1015 CG GLU A 61 4.481 11.547 -8.689 1.00 0.00 C ATOM 1016 CD GLU A 61 4.075 12.032 -7.315 1.00 0.00 C ATOM 1017 OE1 GLU A 61 3.881 13.255 -7.142 1.00 0.00 O ATOM 1018 OE2 GLU A 61 3.932 11.195 -6.401 1.00 0.00 O ATOM 0 H GLU A 61 6.162 9.369 -10.001 1.00 0.00 H new ATOM 0 HA GLU A 61 5.746 12.066 -11.019 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.504 10.969 -8.300 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.299 12.673 -8.652 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.940 12.116 -9.445 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.185 10.504 -8.803 1.00 0.00 H new ATOM 1025 N LEU A 62 8.693 10.772 -10.419 1.00 0.00 N ATOM 1026 CA LEU A 62 10.100 10.903 -10.772 1.00 0.00 C ATOM 1027 C LEU A 62 10.233 11.055 -12.284 1.00 0.00 C ATOM 1028 O LEU A 62 11.177 11.665 -12.782 1.00 0.00 O ATOM 1029 CB LEU A 62 10.886 9.678 -10.291 1.00 0.00 C ATOM 1030 CG LEU A 62 12.384 9.688 -10.609 1.00 0.00 C ATOM 1031 CD1 LEU A 62 13.078 10.847 -9.911 1.00 0.00 C ATOM 1032 CD2 LEU A 62 13.020 8.365 -10.213 1.00 0.00 C ATOM 0 H LEU A 62 8.443 9.873 -10.007 1.00 0.00 H new ATOM 0 HA LEU A 62 10.510 11.787 -10.285 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.762 9.590 -9.212 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.444 8.787 -10.736 1.00 0.00 H new ATOM 0 HG LEU A 62 12.504 9.821 -11.684 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.141 10.833 -10.152 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.642 11.788 -10.247 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.949 10.752 -8.833 1.00 0.00 H new ATOM 0 HD21 LEU A 62 14.085 8.389 -10.446 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.886 8.203 -9.144 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.546 7.554 -10.765 1.00 0.00 H new ATOM 1044 N ASP A 63 9.259 10.501 -13.002 1.00 0.00 N ATOM 1045 CA ASP A 63 9.203 10.586 -14.455 1.00 0.00 C ATOM 1046 C ASP A 63 9.062 12.036 -14.896 1.00 0.00 C ATOM 1047 O ASP A 63 9.580 12.433 -15.941 1.00 0.00 O ATOM 1048 CB ASP A 63 8.038 9.751 -14.984 1.00 0.00 C ATOM 1049 CG ASP A 63 7.998 9.681 -16.494 1.00 0.00 C ATOM 1050 OD1 ASP A 63 8.868 9.008 -17.083 1.00 0.00 O ATOM 1051 OD2 ASP A 63 7.074 10.263 -17.096 1.00 0.00 O ATOM 0 H ASP A 63 8.485 9.980 -12.589 1.00 0.00 H new ATOM 0 HA ASP A 63 10.132 10.191 -14.866 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.110 8.741 -14.581 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.101 10.173 -14.621 1.00 0.00 H new ATOM 1056 N GLU A 64 8.378 12.829 -14.080 1.00 0.00 N ATOM 1057 CA GLU A 64 8.276 14.259 -14.320 1.00 0.00 C ATOM 1058 C GLU A 64 9.664 14.883 -14.271 1.00 0.00 C ATOM 1059 O GLU A 64 10.061 15.613 -15.174 1.00 0.00 O ATOM 1060 CB GLU A 64 7.370 14.920 -13.277 1.00 0.00 C ATOM 1061 CG GLU A 64 5.949 14.381 -13.267 1.00 0.00 C ATOM 1062 CD GLU A 64 5.084 15.040 -12.211 1.00 0.00 C ATOM 1063 OE1 GLU A 64 4.492 16.101 -12.498 1.00 0.00 O ATOM 1064 OE2 GLU A 64 4.983 14.498 -11.093 1.00 0.00 O ATOM 0 H GLU A 64 7.887 12.504 -13.247 1.00 0.00 H new ATOM 0 HA GLU A 64 7.838 14.419 -15.305 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.808 14.781 -12.289 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.340 15.993 -13.464 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.499 14.535 -14.248 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.973 13.305 -13.092 1.00 0.00 H new ATOM 1071 N LEU A 65 10.413 14.553 -13.226 1.00 0.00 N ATOM 1072 CA LEU A 65 11.772 15.063 -13.052 1.00 0.00 C ATOM 1073 C LEU A 65 12.684 14.590 -14.184 1.00 0.00 C ATOM 1074 O LEU A 65 13.712 15.207 -14.468 1.00 0.00 O ATOM 1075 CB LEU A 65 12.333 14.614 -11.698 1.00 0.00 C ATOM 1076 CG LEU A 65 11.573 15.131 -10.474 1.00 0.00 C ATOM 1077 CD1 LEU A 65 12.157 14.546 -9.198 1.00 0.00 C ATOM 1078 CD2 LEU A 65 11.610 16.650 -10.425 1.00 0.00 C ATOM 0 H LEU A 65 10.102 13.930 -12.480 1.00 0.00 H new ATOM 0 HA LEU A 65 11.734 16.152 -13.079 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.339 13.524 -11.669 1.00 0.00 H new ATOM 0 HB3 LEU A 65 13.370 14.941 -11.626 1.00 0.00 H new ATOM 0 HG LEU A 65 10.534 14.813 -10.557 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.604 14.924 -8.338 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.081 13.459 -9.228 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.205 14.834 -9.112 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.065 16.999 -9.548 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.645 16.987 -10.367 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.147 17.054 -11.325 1.00 0.00 H new ATOM 1267 N PRO A 75 17.033 19.624 -12.075 1.00 0.00 N ATOM 1268 CA PRO A 75 16.817 19.608 -10.629 1.00 0.00 C ATOM 1269 C PRO A 75 17.684 18.577 -9.925 1.00 0.00 C ATOM 1270 O PRO A 75 17.246 17.453 -9.679 1.00 0.00 O ATOM 1271 CB PRO A 75 15.342 19.224 -10.466 1.00 0.00 C ATOM 1272 CG PRO A 75 14.763 19.214 -11.847 1.00 0.00 C ATOM 1273 CD PRO A 75 15.914 19.005 -12.791 1.00 0.00 C ATOM 0 HA PRO A 75 17.073 20.572 -10.189 1.00 0.00 H new ATOM 0 HB2 PRO A 75 15.243 18.246 -9.994 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.821 19.939 -9.830 1.00 0.00 H new ATOM 0 HG2 PRO A 75 14.025 18.418 -11.953 1.00 0.00 H new ATOM 0 HG3 PRO A 75 14.252 20.153 -12.060 1.00 0.00 H new ATOM 0 HD2 PRO A 75 16.092 17.947 -12.984 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.738 19.480 -13.756 1.00 0.00 H new ATOM 1281 N SER A 76 18.912 18.957 -9.611 1.00 0.00 N ATOM 1282 CA SER A 76 19.825 18.078 -8.907 1.00 0.00 C ATOM 1283 C SER A 76 19.257 17.697 -7.541 1.00 0.00 C ATOM 1284 O SER A 76 19.040 16.521 -7.254 1.00 0.00 O ATOM 1285 CB SER A 76 21.185 18.764 -8.758 1.00 0.00 C ATOM 1286 OG SER A 76 21.026 20.112 -8.337 1.00 0.00 O ATOM 0 H SER A 76 19.299 19.874 -9.835 1.00 0.00 H new ATOM 0 HA SER A 76 19.954 17.162 -9.483 1.00 0.00 H new ATOM 0 HB2 SER A 76 21.794 18.222 -8.035 1.00 0.00 H new ATOM 0 HB3 SER A 76 21.718 18.735 -9.708 1.00 0.00 H new ATOM 0 HG SER A 76 21.907 20.532 -8.246 1.00 0.00 H new ATOM 1292 N ASN A 77 18.978 18.706 -6.724 1.00 0.00 N ATOM 1293 CA ASN A 77 18.481 18.490 -5.370 1.00 0.00 C ATOM 1294 C ASN A 77 17.118 17.802 -5.370 1.00 0.00 C ATOM 1295 O ASN A 77 16.889 16.872 -4.600 1.00 0.00 O ATOM 1296 CB ASN A 77 18.402 19.822 -4.618 1.00 0.00 C ATOM 1297 CG ASN A 77 17.835 19.680 -3.219 1.00 0.00 C ATOM 1298 OD1 ASN A 77 18.558 19.369 -2.273 1.00 0.00 O ATOM 1299 ND2 ASN A 77 16.545 19.941 -3.069 1.00 0.00 N ATOM 0 H ASN A 77 19.088 19.688 -6.978 1.00 0.00 H new ATOM 0 HA ASN A 77 19.183 17.830 -4.861 1.00 0.00 H new ATOM 0 HB2 ASN A 77 19.399 20.258 -4.557 1.00 0.00 H new ATOM 0 HB3 ASN A 77 17.784 20.517 -5.186 1.00 0.00 H new ATOM 0 HD21 ASN A 77 16.118 19.887 -2.144 1.00 0.00 H new ATOM 0 HD22 ASN A 77 15.979 20.196 -3.878 1.00 0.00 H new ATOM 1306 N ARG A 78 16.220 18.246 -6.246 1.00 0.00 N ATOM 1307 CA ARG A 78 14.863 17.701 -6.285 1.00 0.00 C ATOM 1308 C ARG A 78 14.859 16.224 -6.672 1.00 0.00 C ATOM 1309 O ARG A 78 14.115 15.431 -6.094 1.00 0.00 O ATOM 1310 CB ARG A 78 13.976 18.499 -7.242 1.00 0.00 C ATOM 1311 CG ARG A 78 13.656 19.900 -6.751 1.00 0.00 C ATOM 1312 CD ARG A 78 12.626 20.580 -7.640 1.00 0.00 C ATOM 1313 NE ARG A 78 12.201 21.873 -7.101 1.00 0.00 N ATOM 1314 CZ ARG A 78 11.001 22.098 -6.562 1.00 0.00 C ATOM 1315 NH1 ARG A 78 10.102 21.122 -6.507 1.00 0.00 N ATOM 1316 NH2 ARG A 78 10.695 23.299 -6.086 1.00 0.00 N ATOM 0 H ARG A 78 16.404 18.976 -6.934 1.00 0.00 H new ATOM 0 HA ARG A 78 14.455 17.787 -5.278 1.00 0.00 H new ATOM 0 HB2 ARG A 78 14.471 18.567 -8.211 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.044 17.956 -7.398 1.00 0.00 H new ATOM 0 HG2 ARG A 78 13.281 19.852 -5.729 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.568 20.496 -6.728 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.045 20.723 -8.636 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.758 19.931 -7.750 1.00 0.00 H new ATOM 0 HE ARG A 78 12.862 22.649 -7.140 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.328 20.199 -6.877 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.185 21.296 -6.095 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.378 24.055 -6.131 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.776 23.466 -5.675 1.00 0.00 H new ATOM 1330 N GLN A 79 15.689 15.856 -7.642 1.00 0.00 N ATOM 1331 CA GLN A 79 15.790 14.464 -8.066 1.00 0.00 C ATOM 1332 C GLN A 79 16.391 13.610 -6.954 1.00 0.00 C ATOM 1333 O GLN A 79 15.951 12.484 -6.710 1.00 0.00 O ATOM 1334 CB GLN A 79 16.630 14.352 -9.338 1.00 0.00 C ATOM 1335 CG GLN A 79 16.901 12.920 -9.767 1.00 0.00 C ATOM 1336 CD GLN A 79 17.641 12.834 -11.082 1.00 0.00 C ATOM 1337 OE1 GLN A 79 17.468 13.674 -11.967 1.00 0.00 O ATOM 1338 NE2 GLN A 79 18.488 11.828 -11.215 1.00 0.00 N ATOM 0 H GLN A 79 16.299 16.499 -8.147 1.00 0.00 H new ATOM 0 HA GLN A 79 14.787 14.096 -8.281 1.00 0.00 H new ATOM 0 HB2 GLN A 79 16.119 14.874 -10.147 1.00 0.00 H new ATOM 0 HB3 GLN A 79 17.581 14.861 -9.181 1.00 0.00 H new ATOM 0 HG2 GLN A 79 17.483 12.418 -8.994 1.00 0.00 H new ATOM 0 HG3 GLN A 79 15.955 12.385 -9.852 1.00 0.00 H new ATOM 0 HE21 GLN A 79 18.602 11.154 -10.458 1.00 0.00 H new ATOM 0 HE22 GLN A 79 19.028 11.726 -12.074 1.00 0.00 H new ATOM 1347 N VAL A 80 17.388 14.160 -6.273 1.00 0.00 N ATOM 1348 CA VAL A 80 18.016 13.463 -5.152 1.00 0.00 C ATOM 1349 C VAL A 80 17.015 13.270 -4.013 1.00 0.00 C ATOM 1350 O VAL A 80 16.968 12.211 -3.390 1.00 0.00 O ATOM 1351 CB VAL A 80 19.267 14.212 -4.629 1.00 0.00 C ATOM 1352 CG1 VAL A 80 19.808 13.557 -3.366 1.00 0.00 C ATOM 1353 CG2 VAL A 80 20.347 14.256 -5.698 1.00 0.00 C ATOM 0 H VAL A 80 17.779 15.081 -6.473 1.00 0.00 H new ATOM 0 HA VAL A 80 18.339 12.489 -5.521 1.00 0.00 H new ATOM 0 HB VAL A 80 18.969 15.232 -4.386 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.686 14.103 -3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 80 19.042 13.574 -2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 80 20.084 12.525 -3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 80 21.218 14.786 -5.313 1.00 0.00 H new ATOM 0 HG22 VAL A 80 20.631 13.240 -5.970 1.00 0.00 H new ATOM 0 HG23 VAL A 80 19.967 14.774 -6.578 1.00 0.00 H new ATOM 1363 N LEU A 81 16.205 14.293 -3.765 1.00 0.00 N ATOM 1364 CA LEU A 81 15.189 14.240 -2.718 1.00 0.00 C ATOM 1365 C LEU A 81 14.201 13.102 -2.978 1.00 0.00 C ATOM 1366 O LEU A 81 13.813 12.379 -2.057 1.00 0.00 O ATOM 1367 CB LEU A 81 14.449 15.580 -2.640 1.00 0.00 C ATOM 1368 CG LEU A 81 13.438 15.706 -1.499 1.00 0.00 C ATOM 1369 CD1 LEU A 81 14.133 15.600 -0.148 1.00 0.00 C ATOM 1370 CD2 LEU A 81 12.681 17.022 -1.607 1.00 0.00 C ATOM 0 H LEU A 81 16.232 15.174 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 81 15.682 14.050 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 81 15.186 16.377 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.929 15.744 -3.584 1.00 0.00 H new ATOM 0 HG LEU A 81 12.725 14.886 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 81 13.395 15.692 0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.632 14.634 -0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 81 14.870 16.398 -0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.965 17.098 -0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.385 17.852 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.150 17.059 -2.558 1.00 0.00 H new ATOM 1382 N LEU A 82 13.812 12.945 -4.241 1.00 0.00 N ATOM 1383 CA LEU A 82 12.913 11.867 -4.643 1.00 0.00 C ATOM 1384 C LEU A 82 13.568 10.520 -4.332 1.00 0.00 C ATOM 1385 O LEU A 82 12.950 9.631 -3.738 1.00 0.00 O ATOM 1386 CB LEU A 82 12.606 11.983 -6.149 1.00 0.00 C ATOM 1387 CG LEU A 82 11.289 11.354 -6.642 1.00 0.00 C ATOM 1388 CD1 LEU A 82 11.270 9.845 -6.441 1.00 0.00 C ATOM 1389 CD2 LEU A 82 10.098 11.999 -5.953 1.00 0.00 C ATOM 0 H LEU A 82 14.106 13.553 -5.005 1.00 0.00 H new ATOM 0 HA LEU A 82 11.976 11.941 -4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.597 13.041 -6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 82 13.428 11.525 -6.699 1.00 0.00 H new ATOM 0 HG LEU A 82 11.220 11.541 -7.714 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.324 9.442 -6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.092 9.394 -6.996 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.380 9.618 -5.381 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.177 11.541 -6.314 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.178 11.853 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.084 13.066 -6.174 1.00 0.00 H new ATOM 1401 N GLN A 83 14.832 10.397 -4.725 1.00 0.00 N ATOM 1402 CA GLN A 83 15.611 9.185 -4.496 1.00 0.00 C ATOM 1403 C GLN A 83 15.674 8.836 -3.008 1.00 0.00 C ATOM 1404 O GLN A 83 15.390 7.702 -2.618 1.00 0.00 O ATOM 1405 CB GLN A 83 17.029 9.370 -5.047 1.00 0.00 C ATOM 1406 CG GLN A 83 17.967 8.223 -4.716 1.00 0.00 C ATOM 1407 CD GLN A 83 19.401 8.501 -5.117 1.00 0.00 C ATOM 1408 OE1 GLN A 83 19.842 9.652 -5.149 1.00 0.00 O ATOM 1409 NE2 GLN A 83 20.142 7.451 -5.416 1.00 0.00 N ATOM 0 H GLN A 83 15.344 11.133 -5.210 1.00 0.00 H new ATOM 0 HA GLN A 83 15.119 8.362 -5.015 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.977 9.484 -6.130 1.00 0.00 H new ATOM 0 HB3 GLN A 83 17.446 10.295 -4.649 1.00 0.00 H new ATOM 0 HG2 GLN A 83 17.926 8.024 -3.645 1.00 0.00 H new ATOM 0 HG3 GLN A 83 17.622 7.321 -5.221 1.00 0.00 H new ATOM 0 HE21 GLN A 83 19.739 6.515 -5.377 1.00 0.00 H new ATOM 0 HE22 GLN A 83 21.118 7.576 -5.686 1.00 0.00 H new ATOM 1418 N GLN A 84 16.026 9.825 -2.188 1.00 0.00 N ATOM 1419 CA GLN A 84 16.211 9.623 -0.752 1.00 0.00 C ATOM 1420 C GLN A 84 14.976 9.010 -0.101 1.00 0.00 C ATOM 1421 O GLN A 84 15.084 8.060 0.677 1.00 0.00 O ATOM 1422 CB GLN A 84 16.553 10.947 -0.064 1.00 0.00 C ATOM 1423 CG GLN A 84 17.880 11.544 -0.509 1.00 0.00 C ATOM 1424 CD GLN A 84 19.068 10.667 -0.161 1.00 0.00 C ATOM 1425 OE1 GLN A 84 19.062 9.952 0.843 1.00 0.00 O ATOM 1426 NE2 GLN A 84 20.095 10.710 -0.993 1.00 0.00 N ATOM 0 H GLN A 84 16.190 10.783 -2.498 1.00 0.00 H new ATOM 0 HA GLN A 84 17.039 8.925 -0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 84 15.757 11.665 -0.262 1.00 0.00 H new ATOM 0 HB3 GLN A 84 16.579 10.790 1.014 1.00 0.00 H new ATOM 0 HG2 GLN A 84 17.857 11.705 -1.587 1.00 0.00 H new ATOM 0 HG3 GLN A 84 18.007 12.521 -0.043 1.00 0.00 H new ATOM 0 HE21 GLN A 84 20.062 11.315 -1.814 1.00 0.00 H new ATOM 0 HE22 GLN A 84 20.921 10.138 -0.814 1.00 0.00 H new ATOM 1435 N ARG A 85 13.801 9.545 -0.425 1.00 0.00 N ATOM 1436 CA ARG A 85 12.566 9.053 0.174 1.00 0.00 C ATOM 1437 C ARG A 85 12.282 7.630 -0.296 1.00 0.00 C ATOM 1438 O ARG A 85 11.903 6.769 0.498 1.00 0.00 O ATOM 1439 CB ARG A 85 11.379 9.952 -0.179 1.00 0.00 C ATOM 1440 CG ARG A 85 10.317 10.005 0.912 1.00 0.00 C ATOM 1441 CD ARG A 85 8.924 10.204 0.339 1.00 0.00 C ATOM 1442 NE ARG A 85 8.353 8.943 -0.131 1.00 0.00 N ATOM 1443 CZ ARG A 85 7.819 8.752 -1.337 1.00 0.00 C ATOM 1444 NH1 ARG A 85 7.708 9.761 -2.190 1.00 0.00 N ATOM 1445 NH2 ARG A 85 7.370 7.548 -1.674 1.00 0.00 N ATOM 0 H ARG A 85 13.680 10.309 -1.090 1.00 0.00 H new ATOM 0 HA ARG A 85 12.697 9.062 1.256 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.742 10.961 -0.372 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.924 9.595 -1.103 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.343 9.081 1.489 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.545 10.818 1.601 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.275 10.637 1.100 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.967 10.915 -0.486 1.00 0.00 H new ATOM 0 HE ARG A 85 8.364 8.151 0.512 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.032 10.691 -1.925 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.298 9.607 -3.111 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.435 6.776 -1.011 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.960 7.396 -2.596 1.00 0.00 H new ATOM 1459 N ARG A 86 12.484 7.386 -1.590 1.00 0.00 N ATOM 1460 CA ARG A 86 12.210 6.078 -2.172 1.00 0.00 C ATOM 1461 C ARG A 86 13.111 5.011 -1.557 1.00 0.00 C ATOM 1462 O ARG A 86 12.638 3.947 -1.161 1.00 0.00 O ATOM 1463 CB ARG A 86 12.390 6.110 -3.696 1.00 0.00 C ATOM 1464 CG ARG A 86 12.083 4.779 -4.370 1.00 0.00 C ATOM 1465 CD ARG A 86 12.118 4.886 -5.888 1.00 0.00 C ATOM 1466 NE ARG A 86 13.446 5.234 -6.396 1.00 0.00 N ATOM 1467 CZ ARG A 86 13.766 5.260 -7.692 1.00 0.00 C ATOM 1468 NH1 ARG A 86 12.872 4.914 -8.613 1.00 0.00 N ATOM 1469 NH2 ARG A 86 14.992 5.613 -8.061 1.00 0.00 N ATOM 0 H ARG A 86 12.836 8.077 -2.252 1.00 0.00 H new ATOM 0 HA ARG A 86 11.173 5.825 -1.951 1.00 0.00 H new ATOM 0 HB2 ARG A 86 11.741 6.879 -4.115 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.416 6.398 -3.927 1.00 0.00 H new ATOM 0 HG2 ARG A 86 12.806 4.032 -4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 86 11.100 4.431 -4.054 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.803 3.937 -6.323 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.400 5.639 -6.212 1.00 0.00 H new ATOM 0 HE ARG A 86 14.171 5.471 -5.719 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.935 4.626 -8.331 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.123 4.936 -9.601 1.00 0.00 H new ATOM 0 HH21 ARG A 86 15.685 5.863 -7.355 1.00 0.00 H new ATOM 0 HH22 ARG A 86 15.241 5.634 -9.050 1.00 0.00 H new ATOM 1483 N ASP A 87 14.403 5.308 -1.458 1.00 0.00 N ATOM 1484 CA ASP A 87 15.366 4.357 -0.908 1.00 0.00 C ATOM 1485 C ASP A 87 15.045 4.009 0.541 1.00 0.00 C ATOM 1486 O ASP A 87 15.220 2.862 0.960 1.00 0.00 O ATOM 1487 CB ASP A 87 16.796 4.891 -1.013 1.00 0.00 C ATOM 1488 CG ASP A 87 17.483 4.451 -2.292 1.00 0.00 C ATOM 1489 OD1 ASP A 87 17.836 3.257 -2.395 1.00 0.00 O ATOM 1490 OD2 ASP A 87 17.682 5.293 -3.192 1.00 0.00 O ATOM 0 H ASP A 87 14.808 6.197 -1.750 1.00 0.00 H new ATOM 0 HA ASP A 87 15.290 3.447 -1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.779 5.980 -0.969 1.00 0.00 H new ATOM 0 HB3 ASP A 87 17.374 4.546 -0.156 1.00 0.00 H new ATOM 1495 N GLN A 88 14.564 4.990 1.298 1.00 0.00 N ATOM 1496 CA GLN A 88 14.179 4.756 2.686 1.00 0.00 C ATOM 1497 C GLN A 88 13.011 3.778 2.757 1.00 0.00 C ATOM 1498 O GLN A 88 13.009 2.847 3.564 1.00 0.00 O ATOM 1499 CB GLN A 88 13.789 6.064 3.381 1.00 0.00 C ATOM 1500 CG GLN A 88 13.475 5.878 4.859 1.00 0.00 C ATOM 1501 CD GLN A 88 12.863 7.104 5.506 1.00 0.00 C ATOM 1502 OE1 GLN A 88 13.121 8.237 5.102 1.00 0.00 O ATOM 1503 NE2 GLN A 88 12.049 6.876 6.525 1.00 0.00 N ATOM 0 H GLN A 88 14.432 5.949 0.977 1.00 0.00 H new ATOM 0 HA GLN A 88 15.041 4.331 3.200 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.602 6.782 3.275 1.00 0.00 H new ATOM 0 HB3 GLN A 88 12.919 6.490 2.881 1.00 0.00 H new ATOM 0 HG2 GLN A 88 12.791 5.037 4.974 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.392 5.618 5.387 1.00 0.00 H new ATOM 0 HE21 GLN A 88 11.864 5.919 6.826 1.00 0.00 H new ATOM 0 HE22 GLN A 88 11.607 7.657 7.009 1.00 0.00 H new ATOM 1512 N GLU A 89 12.030 3.983 1.892 1.00 0.00 N ATOM 1513 CA GLU A 89 10.832 3.157 1.892 1.00 0.00 C ATOM 1514 C GLU A 89 11.116 1.779 1.308 1.00 0.00 C ATOM 1515 O GLU A 89 10.442 0.806 1.638 1.00 0.00 O ATOM 1516 CB GLU A 89 9.713 3.860 1.132 1.00 0.00 C ATOM 1517 CG GLU A 89 9.398 5.228 1.710 1.00 0.00 C ATOM 1518 CD GLU A 89 8.239 5.917 1.028 1.00 0.00 C ATOM 1519 OE1 GLU A 89 7.774 5.426 -0.024 1.00 0.00 O ATOM 1520 OE2 GLU A 89 7.778 6.949 1.550 1.00 0.00 O ATOM 0 H GLU A 89 12.039 4.714 1.181 1.00 0.00 H new ATOM 0 HA GLU A 89 10.510 3.012 2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.998 3.967 0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.816 3.242 1.156 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.174 5.123 2.772 1.00 0.00 H new ATOM 0 HG3 GLU A 89 10.283 5.859 1.632 1.00 0.00 H new ATOM 1527 N LEU A 90 12.126 1.694 0.448 1.00 0.00 N ATOM 1528 CA LEU A 90 12.595 0.403 -0.040 1.00 0.00 C ATOM 1529 C LEU A 90 13.204 -0.391 1.109 1.00 0.00 C ATOM 1530 O LEU A 90 13.136 -1.618 1.145 1.00 0.00 O ATOM 1531 CB LEU A 90 13.622 0.579 -1.163 1.00 0.00 C ATOM 1532 CG LEU A 90 13.078 1.185 -2.459 1.00 0.00 C ATOM 1533 CD1 LEU A 90 14.198 1.370 -3.470 1.00 0.00 C ATOM 1534 CD2 LEU A 90 11.979 0.306 -3.037 1.00 0.00 C ATOM 0 H LEU A 90 12.632 2.498 0.077 1.00 0.00 H new ATOM 0 HA LEU A 90 11.743 -0.143 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 90 14.431 1.212 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 90 14.057 -0.394 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 90 12.654 2.163 -2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 90 13.794 1.802 -4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 90 14.954 2.037 -3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 90 14.650 0.404 -3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.603 0.752 -3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.380 -0.685 -3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.165 0.221 -2.317 1.00 0.00 H new ATOM 1546 N LYS A 91 13.788 0.325 2.060 1.00 0.00 N ATOM 1547 CA LYS A 91 14.329 -0.296 3.255 1.00 0.00 C ATOM 1548 C LYS A 91 13.186 -0.783 4.148 1.00 0.00 C ATOM 1549 O LYS A 91 13.257 -1.869 4.726 1.00 0.00 O ATOM 1550 CB LYS A 91 15.245 0.692 3.994 1.00 0.00 C ATOM 1551 CG LYS A 91 15.913 0.116 5.231 1.00 0.00 C ATOM 1552 CD LYS A 91 14.996 0.159 6.440 1.00 0.00 C ATOM 1553 CE LYS A 91 15.417 -0.846 7.493 1.00 0.00 C ATOM 1554 NZ LYS A 91 15.310 -2.252 7.010 1.00 0.00 N ATOM 0 H LYS A 91 13.898 1.338 2.024 1.00 0.00 H new ATOM 0 HA LYS A 91 14.931 -1.161 2.978 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.016 1.039 3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.660 1.565 4.284 1.00 0.00 H new ATOM 0 HG2 LYS A 91 16.210 -0.915 5.037 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.824 0.675 5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 91 15.004 1.161 6.868 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.972 -0.046 6.129 1.00 0.00 H new ATOM 0 HE2 LYS A 91 16.445 -0.645 7.793 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.796 -0.721 8.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.104 -2.880 7.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.544 -2.321 6.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 16.208 -2.537 6.569 1.00 0.00 H new ATOM 1568 N GLU A 92 12.135 0.028 4.253 1.00 0.00 N ATOM 1569 CA GLU A 92 10.931 -0.355 4.989 1.00 0.00 C ATOM 1570 C GLU A 92 10.313 -1.599 4.350 1.00 0.00 C ATOM 1571 O GLU A 92 9.793 -2.481 5.034 1.00 0.00 O ATOM 1572 CB GLU A 92 9.928 0.810 4.995 1.00 0.00 C ATOM 1573 CG GLU A 92 8.622 0.504 5.712 1.00 0.00 C ATOM 1574 CD GLU A 92 7.726 1.723 5.839 1.00 0.00 C ATOM 1575 OE1 GLU A 92 7.015 2.054 4.869 1.00 0.00 O ATOM 1576 OE2 GLU A 92 7.736 2.356 6.915 1.00 0.00 O ATOM 0 H GLU A 92 12.093 0.958 3.836 1.00 0.00 H new ATOM 0 HA GLU A 92 11.193 -0.587 6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.395 1.674 5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.707 1.090 3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.090 -0.279 5.171 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.840 0.113 6.706 1.00 0.00 H new ATOM 1583 N PHE A 93 10.414 -1.659 3.031 1.00 0.00 N ATOM 1584 CA PHE A 93 9.951 -2.794 2.246 1.00 0.00 C ATOM 1585 C PHE A 93 10.691 -4.073 2.660 1.00 0.00 C ATOM 1586 O PHE A 93 10.093 -5.147 2.753 1.00 0.00 O ATOM 1587 CB PHE A 93 10.189 -2.482 0.766 1.00 0.00 C ATOM 1588 CG PHE A 93 9.456 -3.360 -0.201 1.00 0.00 C ATOM 1589 CD1 PHE A 93 8.074 -3.320 -0.279 1.00 0.00 C ATOM 1590 CD2 PHE A 93 10.150 -4.206 -1.051 1.00 0.00 C ATOM 1591 CE1 PHE A 93 7.397 -4.111 -1.185 1.00 0.00 C ATOM 1592 CE2 PHE A 93 9.478 -4.995 -1.962 1.00 0.00 C ATOM 1593 CZ PHE A 93 8.099 -4.947 -2.029 1.00 0.00 C ATOM 0 H PHE A 93 10.824 -0.913 2.469 1.00 0.00 H new ATOM 0 HA PHE A 93 8.888 -2.961 2.421 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.903 -1.447 0.580 1.00 0.00 H new ATOM 0 HB3 PHE A 93 11.257 -2.559 0.563 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.520 -2.663 0.376 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.228 -4.248 -1.000 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.319 -4.076 -1.233 1.00 0.00 H new ATOM 0 HE2 PHE A 93 10.029 -5.649 -2.622 1.00 0.00 H new ATOM 0 HZ PHE A 93 7.571 -5.563 -2.741 1.00 0.00 H new ATOM 1603 N LYS A 94 11.993 -3.943 2.923 1.00 0.00 N ATOM 1604 CA LYS A 94 12.817 -5.080 3.345 1.00 0.00 C ATOM 1605 C LYS A 94 12.483 -5.515 4.770 1.00 0.00 C ATOM 1606 O LYS A 94 12.616 -6.685 5.120 1.00 0.00 O ATOM 1607 CB LYS A 94 14.306 -4.731 3.308 1.00 0.00 C ATOM 1608 CG LYS A 94 14.811 -4.175 1.992 1.00 0.00 C ATOM 1609 CD LYS A 94 16.304 -3.905 2.078 1.00 0.00 C ATOM 1610 CE LYS A 94 16.804 -3.052 0.929 1.00 0.00 C ATOM 1611 NZ LYS A 94 18.248 -2.730 1.082 1.00 0.00 N ATOM 0 H LYS A 94 12.501 -3.061 2.851 1.00 0.00 H new ATOM 0 HA LYS A 94 12.600 -5.888 2.646 1.00 0.00 H new ATOM 0 HB2 LYS A 94 14.511 -4.003 4.093 1.00 0.00 H new ATOM 0 HB3 LYS A 94 14.878 -5.627 3.548 1.00 0.00 H new ATOM 0 HG2 LYS A 94 14.607 -4.882 1.188 1.00 0.00 H new ATOM 0 HG3 LYS A 94 14.280 -3.254 1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 94 16.526 -3.406 3.021 1.00 0.00 H new ATOM 0 HD3 LYS A 94 16.842 -4.853 2.084 1.00 0.00 H new ATOM 0 HE2 LYS A 94 16.644 -3.577 -0.013 1.00 0.00 H new ATOM 0 HE3 LYS A 94 16.227 -2.129 0.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 18.560 -2.145 0.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 18.395 -2.208 1.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 18.800 -3.611 1.103 1.00 0.00 H new ATOM 1625 N ALA A 95 12.067 -4.563 5.593 1.00 0.00 N ATOM 1626 CA ALA A 95 11.871 -4.812 7.021 1.00 0.00 C ATOM 1627 C ALA A 95 10.512 -5.438 7.305 1.00 0.00 C ATOM 1628 O ALA A 95 10.089 -5.536 8.460 1.00 0.00 O ATOM 1629 CB ALA A 95 12.019 -3.515 7.798 1.00 0.00 C ATOM 0 H ALA A 95 11.857 -3.609 5.300 1.00 0.00 H new ATOM 0 HA ALA A 95 12.635 -5.520 7.343 1.00 0.00 H new ATOM 0 HB1 ALA A 95 11.872 -3.709 8.861 1.00 0.00 H new ATOM 0 HB2 ALA A 95 13.017 -3.107 7.638 1.00 0.00 H new ATOM 0 HB3 ALA A 95 11.274 -2.797 7.453 1.00 0.00 H new ATOM 1635 N GLY A 96 9.841 -5.884 6.259 1.00 0.00 N ATOM 1636 CA GLY A 96 8.501 -6.392 6.416 1.00 0.00 C ATOM 1637 C GLY A 96 7.498 -5.268 6.401 1.00 0.00 C ATOM 1638 O GLY A 96 7.059 -4.801 7.454 1.00 0.00 O ATOM 0 H GLY A 96 10.201 -5.903 5.305 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.278 -7.096 5.614 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.423 -6.942 7.354 1.00 0.00 H new ATOM 1642 N PHE A 97 7.156 -4.827 5.200 1.00 0.00 N ATOM 1643 CA PHE A 97 6.256 -3.704 5.002 1.00 0.00 C ATOM 1644 C PHE A 97 4.932 -3.949 5.723 1.00 0.00 C ATOM 1645 O PHE A 97 4.324 -5.012 5.572 1.00 0.00 O ATOM 1646 CB PHE A 97 6.026 -3.502 3.503 1.00 0.00 C ATOM 1647 CG PHE A 97 5.463 -2.159 3.144 1.00 0.00 C ATOM 1648 CD1 PHE A 97 6.303 -1.079 2.938 1.00 0.00 C ATOM 1649 CD2 PHE A 97 4.099 -1.979 3.001 1.00 0.00 C ATOM 1650 CE1 PHE A 97 5.792 0.156 2.596 1.00 0.00 C ATOM 1651 CE2 PHE A 97 3.582 -0.747 2.662 1.00 0.00 C ATOM 1652 CZ PHE A 97 4.429 0.323 2.458 1.00 0.00 C ATOM 0 H PHE A 97 7.497 -5.241 4.332 1.00 0.00 H new ATOM 0 HA PHE A 97 6.703 -2.802 5.420 1.00 0.00 H new ATOM 0 HB2 PHE A 97 6.972 -3.639 2.980 1.00 0.00 H new ATOM 0 HB3 PHE A 97 5.348 -4.276 3.143 1.00 0.00 H new ATOM 0 HD1 PHE A 97 7.370 -1.204 3.046 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.431 -2.813 3.157 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.458 0.991 2.436 1.00 0.00 H new ATOM 0 HE2 PHE A 97 2.515 -0.619 2.556 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.026 1.289 2.191 1.00 0.00 H new ATOM 1662 N LEU A 98 4.505 -2.971 6.511 1.00 0.00 N ATOM 1663 CA LEU A 98 3.291 -3.098 7.311 1.00 0.00 C ATOM 1664 C LEU A 98 2.063 -3.165 6.410 1.00 0.00 C ATOM 1665 O LEU A 98 1.635 -2.164 5.845 1.00 0.00 O ATOM 1666 CB LEU A 98 3.173 -1.924 8.288 1.00 0.00 C ATOM 1667 CG LEU A 98 2.060 -2.046 9.330 1.00 0.00 C ATOM 1668 CD1 LEU A 98 2.306 -3.240 10.238 1.00 0.00 C ATOM 1669 CD2 LEU A 98 1.958 -0.772 10.150 1.00 0.00 C ATOM 0 H LEU A 98 4.983 -2.076 6.614 1.00 0.00 H new ATOM 0 HA LEU A 98 3.349 -4.023 7.884 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.124 -1.810 8.809 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.012 -1.011 7.715 1.00 0.00 H new ATOM 0 HG LEU A 98 1.116 -2.199 8.807 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.504 -3.310 10.972 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.332 -4.152 9.641 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.259 -3.116 10.752 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.161 -0.876 10.886 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.904 -0.592 10.661 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.736 0.068 9.491 1.00 0.00 H new ATOM 1681 N CYS A 99 1.527 -4.362 6.245 1.00 0.00 N ATOM 1682 CA CYS A 99 0.366 -4.563 5.394 1.00 0.00 C ATOM 1683 C CYS A 99 -0.725 -5.325 6.138 1.00 0.00 C ATOM 1684 O CYS A 99 -0.442 -6.059 7.087 1.00 0.00 O ATOM 1685 CB CYS A 99 0.764 -5.341 4.137 1.00 0.00 C ATOM 1686 SG CYS A 99 2.191 -4.660 3.265 1.00 0.00 S ATOM 0 H CYS A 99 1.877 -5.211 6.689 1.00 0.00 H new ATOM 0 HA CYS A 99 -0.020 -3.584 5.110 1.00 0.00 H new ATOM 0 HB2 CYS A 99 0.981 -6.372 4.415 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -0.086 -5.367 3.455 1.00 0.00 H new ATOM 0 HG CYS A 99 3.261 -4.832 3.983 1.00 0.00 H new ATOM 1692 N PRO A 100 -1.989 -5.140 5.733 1.00 0.00 N ATOM 1693 CA PRO A 100 -3.076 -6.007 6.168 1.00 0.00 C ATOM 1694 C PRO A 100 -2.942 -7.370 5.500 1.00 0.00 C ATOM 1695 O PRO A 100 -2.423 -7.456 4.385 1.00 0.00 O ATOM 1696 CB PRO A 100 -4.351 -5.289 5.682 1.00 0.00 C ATOM 1697 CG PRO A 100 -3.905 -3.937 5.226 1.00 0.00 C ATOM 1698 CD PRO A 100 -2.462 -4.080 4.837 1.00 0.00 C ATOM 0 HA PRO A 100 -3.083 -6.177 7.245 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.825 -5.840 4.869 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.085 -5.209 6.484 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -4.503 -3.594 4.382 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -4.023 -3.200 6.020 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.351 -4.357 3.789 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.910 -3.151 4.982 1.00 0.00 H new ATOM 1706 N ASP A 101 -3.383 -8.428 6.173 1.00 0.00 N ATOM 1707 CA ASP A 101 -3.313 -9.772 5.598 1.00 0.00 C ATOM 1708 C ASP A 101 -4.031 -9.810 4.252 1.00 0.00 C ATOM 1709 O ASP A 101 -3.609 -10.506 3.327 1.00 0.00 O ATOM 1710 CB ASP A 101 -3.919 -10.808 6.545 1.00 0.00 C ATOM 1711 CG ASP A 101 -3.955 -12.192 5.922 1.00 0.00 C ATOM 1712 OD1 ASP A 101 -2.913 -12.881 5.919 1.00 0.00 O ATOM 1713 OD2 ASP A 101 -5.019 -12.586 5.412 1.00 0.00 O ATOM 0 H ASP A 101 -3.789 -8.385 7.108 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.262 -10.020 5.448 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.339 -10.840 7.467 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.931 -10.505 6.815 1.00 0.00 H new ATOM 1718 N LEU A 102 -5.131 -9.057 4.175 1.00 0.00 N ATOM 1719 CA LEU A 102 -5.866 -8.814 2.928 1.00 0.00 C ATOM 1720 C LEU A 102 -6.702 -10.023 2.501 1.00 0.00 C ATOM 1721 O LEU A 102 -7.764 -9.861 1.900 1.00 0.00 O ATOM 1722 CB LEU A 102 -4.908 -8.391 1.805 1.00 0.00 C ATOM 1723 CG LEU A 102 -5.565 -7.686 0.617 1.00 0.00 C ATOM 1724 CD1 LEU A 102 -6.245 -6.401 1.068 1.00 0.00 C ATOM 1725 CD2 LEU A 102 -4.533 -7.391 -0.461 1.00 0.00 C ATOM 0 H LEU A 102 -5.542 -8.593 4.985 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.561 -7.997 3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.151 -7.729 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.389 -9.277 1.439 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.323 -8.348 0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.707 -5.913 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.011 -6.635 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.505 -5.734 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.016 -6.889 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -3.754 -6.747 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.088 -8.325 -0.804 1.00 0.00 H new ATOM 1737 N SER A 103 -6.230 -11.227 2.799 1.00 0.00 N ATOM 1738 CA SER A 103 -7.003 -12.431 2.524 1.00 0.00 C ATOM 1739 C SER A 103 -7.930 -12.751 3.696 1.00 0.00 C ATOM 1740 O SER A 103 -8.896 -13.506 3.553 1.00 0.00 O ATOM 1741 CB SER A 103 -6.073 -13.610 2.210 1.00 0.00 C ATOM 1742 OG SER A 103 -4.971 -13.669 3.103 1.00 0.00 O ATOM 0 H SER A 103 -5.320 -11.395 3.229 1.00 0.00 H new ATOM 0 HA SER A 103 -7.623 -12.254 1.645 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.636 -14.541 2.267 1.00 0.00 H new ATOM 0 HB3 SER A 103 -5.707 -13.521 1.187 1.00 0.00 H new ATOM 0 HG SER A 103 -5.271 -13.442 4.008 1.00 0.00 H new ATOM 1748 N ASP A 104 -7.625 -12.166 4.846 1.00 0.00 N ATOM 1749 CA ASP A 104 -8.475 -12.275 6.023 1.00 0.00 C ATOM 1750 C ASP A 104 -9.699 -11.378 5.879 1.00 0.00 C ATOM 1751 O ASP A 104 -9.580 -10.164 5.685 1.00 0.00 O ATOM 1752 CB ASP A 104 -7.686 -11.898 7.280 1.00 0.00 C ATOM 1753 CG ASP A 104 -8.541 -11.890 8.530 1.00 0.00 C ATOM 1754 OD1 ASP A 104 -8.795 -12.971 9.094 1.00 0.00 O ATOM 1755 OD2 ASP A 104 -8.958 -10.796 8.962 1.00 0.00 O ATOM 0 H ASP A 104 -6.785 -11.605 4.989 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.811 -13.308 6.116 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -6.864 -12.602 7.412 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -7.242 -10.912 7.143 1.00 0.00 H new ATOM 1760 N ALA A 105 -10.873 -11.986 5.969 1.00 0.00 N ATOM 1761 CA ALA A 105 -12.133 -11.281 5.757 1.00 0.00 C ATOM 1762 C ALA A 105 -12.383 -10.212 6.813 1.00 0.00 C ATOM 1763 O ALA A 105 -12.913 -9.146 6.506 1.00 0.00 O ATOM 1764 CB ALA A 105 -13.289 -12.269 5.729 1.00 0.00 C ATOM 0 H ALA A 105 -10.981 -12.976 6.190 1.00 0.00 H new ATOM 0 HA ALA A 105 -12.062 -10.775 4.794 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -14.224 -11.731 5.570 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -13.139 -12.982 4.918 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -13.334 -12.803 6.678 1.00 0.00 H new ATOM 1770 N LYS A 106 -11.996 -10.489 8.051 1.00 0.00 N ATOM 1771 CA LYS A 106 -12.238 -9.556 9.144 1.00 0.00 C ATOM 1772 C LYS A 106 -11.445 -8.269 8.927 1.00 0.00 C ATOM 1773 O LYS A 106 -11.945 -7.168 9.170 1.00 0.00 O ATOM 1774 CB LYS A 106 -11.870 -10.196 10.483 1.00 0.00 C ATOM 1775 CG LYS A 106 -12.367 -9.418 11.692 1.00 0.00 C ATOM 1776 CD LYS A 106 -13.885 -9.324 11.697 1.00 0.00 C ATOM 1777 CE LYS A 106 -14.400 -8.601 12.930 1.00 0.00 C ATOM 1778 NZ LYS A 106 -15.880 -8.480 12.921 1.00 0.00 N ATOM 0 H LYS A 106 -11.516 -11.347 8.323 1.00 0.00 H new ATOM 0 HA LYS A 106 -13.299 -9.308 9.163 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.281 -11.205 10.518 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.786 -10.291 10.544 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.027 -9.904 12.606 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.938 -8.416 11.685 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -14.220 -8.800 10.802 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -14.312 -10.326 11.658 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -14.085 -9.138 13.824 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.954 -7.608 12.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -16.221 -8.319 13.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -16.159 -7.680 12.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -16.298 -9.356 12.548 1.00 0.00 H new ATOM 1792 N ASN A 107 -10.210 -8.415 8.458 1.00 0.00 N ATOM 1793 CA ASN A 107 -9.393 -7.267 8.077 1.00 0.00 C ATOM 1794 C ASN A 107 -10.089 -6.453 6.995 1.00 0.00 C ATOM 1795 O ASN A 107 -10.170 -5.231 7.081 1.00 0.00 O ATOM 1796 CB ASN A 107 -8.016 -7.711 7.571 1.00 0.00 C ATOM 1797 CG ASN A 107 -6.997 -7.885 8.680 1.00 0.00 C ATOM 1798 OD1 ASN A 107 -6.321 -6.935 9.063 1.00 0.00 O ATOM 1799 ND2 ASN A 107 -6.875 -9.095 9.200 1.00 0.00 N ATOM 0 H ASN A 107 -9.752 -9.318 8.332 1.00 0.00 H new ATOM 0 HA ASN A 107 -9.258 -6.650 8.965 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -8.121 -8.653 7.032 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.644 -6.975 6.858 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.201 -9.264 9.946 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -7.455 -9.859 8.855 1.00 0.00 H new ATOM 1806 N MET A 108 -10.607 -7.146 5.987 1.00 0.00 N ATOM 1807 CA MET A 108 -11.278 -6.495 4.866 1.00 0.00 C ATOM 1808 C MET A 108 -12.566 -5.810 5.319 1.00 0.00 C ATOM 1809 O MET A 108 -12.995 -4.817 4.729 1.00 0.00 O ATOM 1810 CB MET A 108 -11.569 -7.515 3.758 1.00 0.00 C ATOM 1811 CG MET A 108 -12.296 -6.932 2.554 1.00 0.00 C ATOM 1812 SD MET A 108 -11.481 -5.471 1.884 1.00 0.00 S ATOM 1813 CE MET A 108 -9.855 -6.121 1.513 1.00 0.00 C ATOM 0 H MET A 108 -10.575 -8.163 5.923 1.00 0.00 H new ATOM 0 HA MET A 108 -10.614 -5.727 4.469 1.00 0.00 H new ATOM 0 HB2 MET A 108 -10.628 -7.952 3.424 1.00 0.00 H new ATOM 0 HB3 MET A 108 -12.167 -8.326 4.173 1.00 0.00 H new ATOM 0 HG2 MET A 108 -12.367 -7.692 1.776 1.00 0.00 H new ATOM 0 HG3 MET A 108 -13.315 -6.674 2.841 1.00 0.00 H new ATOM 0 HE1 MET A 108 -9.411 -5.547 0.700 1.00 0.00 H new ATOM 0 HE2 MET A 108 -9.223 -6.046 2.398 1.00 0.00 H new ATOM 0 HE3 MET A 108 -9.940 -7.166 1.215 1.00 0.00 H new ATOM 1823 N GLU A 109 -13.178 -6.334 6.371 1.00 0.00 N ATOM 1824 CA GLU A 109 -14.380 -5.736 6.927 1.00 0.00 C ATOM 1825 C GLU A 109 -14.081 -4.331 7.449 1.00 0.00 C ATOM 1826 O GLU A 109 -14.740 -3.364 7.065 1.00 0.00 O ATOM 1827 CB GLU A 109 -14.949 -6.617 8.039 1.00 0.00 C ATOM 1828 CG GLU A 109 -16.255 -6.099 8.614 1.00 0.00 C ATOM 1829 CD GLU A 109 -16.847 -7.029 9.650 1.00 0.00 C ATOM 1830 OE1 GLU A 109 -16.493 -6.907 10.841 1.00 0.00 O ATOM 1831 OE2 GLU A 109 -17.689 -7.875 9.284 1.00 0.00 O ATOM 0 H GLU A 109 -12.860 -7.173 6.856 1.00 0.00 H new ATOM 0 HA GLU A 109 -15.128 -5.657 6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -15.106 -7.623 7.650 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -14.215 -6.696 8.840 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -16.086 -5.121 9.064 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -16.973 -5.958 7.806 1.00 0.00 H new ATOM 1838 N PHE A 110 -13.067 -4.216 8.301 1.00 0.00 N ATOM 1839 CA PHE A 110 -12.676 -2.917 8.842 1.00 0.00 C ATOM 1840 C PHE A 110 -12.090 -2.035 7.745 1.00 0.00 C ATOM 1841 O PHE A 110 -12.271 -0.821 7.751 1.00 0.00 O ATOM 1842 CB PHE A 110 -11.652 -3.069 9.970 1.00 0.00 C ATOM 1843 CG PHE A 110 -12.138 -3.869 11.142 1.00 0.00 C ATOM 1844 CD1 PHE A 110 -13.253 -3.468 11.858 1.00 0.00 C ATOM 1845 CD2 PHE A 110 -11.473 -5.020 11.527 1.00 0.00 C ATOM 1846 CE1 PHE A 110 -13.696 -4.204 12.940 1.00 0.00 C ATOM 1847 CE2 PHE A 110 -11.910 -5.759 12.610 1.00 0.00 C ATOM 1848 CZ PHE A 110 -13.024 -5.349 13.317 1.00 0.00 C ATOM 0 H PHE A 110 -12.504 -5.000 8.630 1.00 0.00 H new ATOM 0 HA PHE A 110 -13.573 -2.448 9.246 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -10.755 -3.542 9.569 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -11.362 -2.077 10.317 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -13.781 -2.572 11.568 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -10.603 -5.344 10.975 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -14.568 -3.883 13.491 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -11.382 -6.655 12.903 1.00 0.00 H new ATOM 0 HZ PHE A 110 -13.369 -5.924 14.164 1.00 0.00 H new ATOM 1858 N LEU A 111 -11.396 -2.665 6.806 1.00 0.00 N ATOM 1859 CA LEU A 111 -10.749 -1.959 5.707 1.00 0.00 C ATOM 1860 C LEU A 111 -11.781 -1.277 4.809 1.00 0.00 C ATOM 1861 O LEU A 111 -11.561 -0.170 4.325 1.00 0.00 O ATOM 1862 CB LEU A 111 -9.884 -2.949 4.911 1.00 0.00 C ATOM 1863 CG LEU A 111 -9.028 -2.356 3.789 1.00 0.00 C ATOM 1864 CD1 LEU A 111 -7.682 -3.058 3.730 1.00 0.00 C ATOM 1865 CD2 LEU A 111 -9.734 -2.483 2.454 1.00 0.00 C ATOM 0 H LEU A 111 -11.266 -3.676 6.784 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.109 -1.174 6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.224 -3.463 5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.540 -3.704 4.478 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.870 -1.298 4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.082 -2.628 2.928 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.163 -2.930 4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.834 -4.120 3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.109 -2.056 1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -9.918 -3.536 2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.684 -1.949 2.492 1.00 0.00 H new ATOM 1877 N ARG A 112 -12.916 -1.933 4.604 1.00 0.00 N ATOM 1878 CA ARG A 112 -13.982 -1.370 3.781 1.00 0.00 C ATOM 1879 C ARG A 112 -14.809 -0.364 4.580 1.00 0.00 C ATOM 1880 O ARG A 112 -15.427 0.542 4.018 1.00 0.00 O ATOM 1881 CB ARG A 112 -14.882 -2.483 3.247 1.00 0.00 C ATOM 1882 CG ARG A 112 -15.959 -1.996 2.294 1.00 0.00 C ATOM 1883 CD ARG A 112 -16.823 -3.145 1.809 1.00 0.00 C ATOM 1884 NE ARG A 112 -17.821 -2.713 0.835 1.00 0.00 N ATOM 1885 CZ ARG A 112 -18.098 -3.386 -0.281 1.00 0.00 C ATOM 1886 NH1 ARG A 112 -17.445 -4.508 -0.555 1.00 0.00 N ATOM 1887 NH2 ARG A 112 -19.018 -2.937 -1.124 1.00 0.00 N ATOM 0 H ARG A 112 -13.123 -2.852 4.994 1.00 0.00 H new ATOM 0 HA ARG A 112 -13.525 -0.850 2.939 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -14.265 -3.223 2.736 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -15.356 -2.989 4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -16.582 -1.255 2.794 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -15.496 -1.500 1.441 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -16.189 -3.910 1.361 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -17.324 -3.605 2.661 1.00 0.00 H new ATOM 0 HE ARG A 112 -18.333 -1.850 1.019 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -16.733 -4.854 0.088 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -17.655 -5.025 -1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -19.518 -2.072 -0.920 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -19.225 -3.457 -1.977 1.00 0.00 H new ATOM 1901 N ASN A 113 -14.816 -0.527 5.894 1.00 0.00 N ATOM 1902 CA ASN A 113 -15.550 0.375 6.776 1.00 0.00 C ATOM 1903 C ASN A 113 -14.625 1.457 7.313 1.00 0.00 C ATOM 1904 O ASN A 113 -14.931 2.115 8.310 1.00 0.00 O ATOM 1905 CB ASN A 113 -16.177 -0.394 7.948 1.00 0.00 C ATOM 1906 CG ASN A 113 -17.262 -1.365 7.518 1.00 0.00 C ATOM 1907 OD1 ASN A 113 -17.944 -1.157 6.512 1.00 0.00 O ATOM 1908 ND2 ASN A 113 -17.438 -2.431 8.283 1.00 0.00 N ATOM 0 H ASN A 113 -14.321 -1.277 6.377 1.00 0.00 H new ATOM 0 HA ASN A 113 -16.348 0.838 6.195 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -15.395 -0.943 8.473 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -16.597 0.319 8.658 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -18.158 -3.114 8.048 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -16.854 -2.569 9.108 1.00 0.00 H new ATOM 1915 N TRP A 114 -13.501 1.651 6.639 1.00 0.00 N ATOM 1916 CA TRP A 114 -12.492 2.588 7.101 1.00 0.00 C ATOM 1917 C TRP A 114 -12.894 4.022 6.771 1.00 0.00 C ATOM 1918 O TRP A 114 -13.402 4.305 5.686 1.00 0.00 O ATOM 1919 CB TRP A 114 -11.129 2.260 6.487 1.00 0.00 C ATOM 1920 CG TRP A 114 -9.991 2.927 7.198 1.00 0.00 C ATOM 1921 CD1 TRP A 114 -9.415 2.523 8.366 1.00 0.00 C ATOM 1922 CD2 TRP A 114 -9.293 4.108 6.793 1.00 0.00 C ATOM 1923 NE1 TRP A 114 -8.411 3.388 8.722 1.00 0.00 N ATOM 1924 CE2 TRP A 114 -8.313 4.367 7.768 1.00 0.00 C ATOM 1925 CE3 TRP A 114 -9.402 4.973 5.702 1.00 0.00 C ATOM 1926 CZ2 TRP A 114 -7.451 5.456 7.686 1.00 0.00 C ATOM 1927 CZ3 TRP A 114 -8.544 6.052 5.620 1.00 0.00 C ATOM 1928 CH2 TRP A 114 -7.577 6.284 6.605 1.00 0.00 C ATOM 0 H TRP A 114 -13.266 1.171 5.770 1.00 0.00 H new ATOM 0 HA TRP A 114 -12.414 2.495 8.184 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -10.979 1.181 6.505 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -11.125 2.565 5.441 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -9.707 1.649 8.929 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -7.833 3.314 9.559 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -10.144 4.801 4.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -6.709 5.641 8.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -8.620 6.728 4.782 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -6.917 7.134 6.509 1.00 0.00 H new ATOM 1939 N ASN A 115 -12.686 4.911 7.729 1.00 0.00 N ATOM 1940 CA ASN A 115 -12.999 6.327 7.568 1.00 0.00 C ATOM 1941 C ASN A 115 -11.967 7.154 8.316 1.00 0.00 C ATOM 1942 O ASN A 115 -10.858 6.682 8.569 1.00 0.00 O ATOM 1943 CB ASN A 115 -14.400 6.650 8.113 1.00 0.00 C ATOM 1944 CG ASN A 115 -15.518 6.027 7.302 1.00 0.00 C ATOM 1945 OD1 ASN A 115 -15.968 6.595 6.304 1.00 0.00 O ATOM 1946 ND2 ASN A 115 -15.989 4.863 7.730 1.00 0.00 N ATOM 0 H ASN A 115 -12.296 4.674 8.641 1.00 0.00 H new ATOM 0 HA ASN A 115 -12.980 6.567 6.505 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -14.470 6.301 9.143 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -14.534 7.732 8.132 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -16.751 4.406 7.229 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -15.589 4.425 8.560 1.00 0.00 H new ATOM 1953 N GLY A 116 -12.330 8.382 8.675 1.00 0.00 N ATOM 1954 CA GLY A 116 -11.476 9.190 9.525 1.00 0.00 C ATOM 1955 C GLY A 116 -11.500 8.687 10.956 1.00 0.00 C ATOM 1956 O GLY A 116 -11.928 9.392 11.872 1.00 0.00 O ATOM 0 H GLY A 116 -13.201 8.831 8.392 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -10.454 9.169 9.145 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -11.805 10.229 9.495 1.00 0.00 H new ATOM 1960 N THR A 117 -11.052 7.456 11.133 1.00 0.00 N ATOM 1961 CA THR A 117 -11.109 6.783 12.411 1.00 0.00 C ATOM 1962 C THR A 117 -9.758 6.141 12.722 1.00 0.00 C ATOM 1963 O THR A 117 -9.408 5.104 12.155 1.00 0.00 O ATOM 1964 CB THR A 117 -12.210 5.702 12.391 1.00 0.00 C ATOM 1965 OG1 THR A 117 -13.418 6.248 11.842 1.00 0.00 O ATOM 1966 CG2 THR A 117 -12.485 5.162 13.785 1.00 0.00 C ATOM 0 H THR A 117 -10.637 6.896 10.388 1.00 0.00 H new ATOM 0 HA THR A 117 -11.344 7.514 13.185 1.00 0.00 H new ATOM 0 HB THR A 117 -11.859 4.878 11.770 1.00 0.00 H new ATOM 0 HG1 THR A 117 -14.113 5.557 11.830 1.00 0.00 H new ATOM 0 HG21 THR A 117 -13.266 4.403 13.734 1.00 0.00 H new ATOM 0 HG22 THR A 117 -11.575 4.720 14.190 1.00 0.00 H new ATOM 0 HG23 THR A 117 -12.812 5.976 14.432 1.00 0.00 H new ATOM 1974 N PHE A 118 -8.998 6.761 13.615 1.00 0.00 N ATOM 1975 CA PHE A 118 -7.661 6.278 13.941 1.00 0.00 C ATOM 1976 C PHE A 118 -7.733 5.018 14.793 1.00 0.00 C ATOM 1977 O PHE A 118 -6.780 4.244 14.858 1.00 0.00 O ATOM 1978 CB PHE A 118 -6.855 7.363 14.658 1.00 0.00 C ATOM 1979 CG PHE A 118 -6.557 8.559 13.795 1.00 0.00 C ATOM 1980 CD1 PHE A 118 -7.431 9.635 13.748 1.00 0.00 C ATOM 1981 CD2 PHE A 118 -5.403 8.604 13.030 1.00 0.00 C ATOM 1982 CE1 PHE A 118 -7.157 10.733 12.955 1.00 0.00 C ATOM 1983 CE2 PHE A 118 -5.124 9.699 12.235 1.00 0.00 C ATOM 1984 CZ PHE A 118 -6.001 10.766 12.197 1.00 0.00 C ATOM 0 H PHE A 118 -9.282 7.597 14.126 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.154 6.031 13.008 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.405 7.690 15.540 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.916 6.935 15.008 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -8.336 9.614 14.338 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -4.713 7.773 13.055 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -7.845 11.565 12.927 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -4.221 9.721 11.643 1.00 0.00 H new ATOM 0 HZ PHE A 118 -5.784 11.623 11.577 1.00 0.00 H new ATOM 1994 N GLY A 119 -8.881 4.807 15.427 1.00 0.00 N ATOM 1995 CA GLY A 119 -9.085 3.604 16.209 1.00 0.00 C ATOM 1996 C GLY A 119 -9.142 2.364 15.338 1.00 0.00 C ATOM 1997 O GLY A 119 -8.970 1.247 15.820 1.00 0.00 O ATOM 0 H GLY A 119 -9.674 5.449 15.413 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -8.277 3.501 16.934 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -10.012 3.692 16.775 1.00 0.00 H new ATOM 2001 N LEU A 120 -9.360 2.562 14.042 1.00 0.00 N ATOM 2002 CA LEU A 120 -9.434 1.454 13.102 1.00 0.00 C ATOM 2003 C LEU A 120 -8.057 0.869 12.828 1.00 0.00 C ATOM 2004 O LEU A 120 -7.935 -0.221 12.279 1.00 0.00 O ATOM 2005 CB LEU A 120 -10.096 1.895 11.800 1.00 0.00 C ATOM 2006 CG LEU A 120 -11.613 2.046 11.881 1.00 0.00 C ATOM 2007 CD1 LEU A 120 -12.170 2.591 10.577 1.00 0.00 C ATOM 2008 CD2 LEU A 120 -12.252 0.708 12.212 1.00 0.00 C ATOM 0 H LEU A 120 -9.488 3.482 13.620 1.00 0.00 H new ATOM 0 HA LEU A 120 -10.046 0.674 13.556 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -9.665 2.848 11.492 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.857 1.170 11.022 1.00 0.00 H new ATOM 0 HG LEU A 120 -11.849 2.756 12.674 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -13.252 2.691 10.657 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -11.730 3.567 10.373 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -11.928 1.907 9.764 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -13.334 0.825 12.268 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -12.005 -0.015 11.435 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -11.876 0.353 13.171 1.00 0.00 H new ATOM 2020 N LEU A 121 -7.019 1.584 13.230 1.00 0.00 N ATOM 2021 CA LEU A 121 -5.663 1.070 13.108 1.00 0.00 C ATOM 2022 C LEU A 121 -5.391 0.083 14.235 1.00 0.00 C ATOM 2023 O LEU A 121 -4.416 -0.670 14.207 1.00 0.00 O ATOM 2024 CB LEU A 121 -4.631 2.208 13.122 1.00 0.00 C ATOM 2025 CG LEU A 121 -4.548 3.047 11.836 1.00 0.00 C ATOM 2026 CD1 LEU A 121 -4.354 2.149 10.623 1.00 0.00 C ATOM 2027 CD2 LEU A 121 -5.782 3.922 11.666 1.00 0.00 C ATOM 0 H LEU A 121 -7.087 2.515 13.641 1.00 0.00 H new ATOM 0 HA LEU A 121 -5.569 0.558 12.150 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.862 2.873 13.954 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.648 1.780 13.319 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.683 3.705 11.921 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -4.298 2.761 9.723 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -3.430 1.581 10.735 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -5.195 1.461 10.542 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -5.693 4.503 10.748 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -6.670 3.292 11.612 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.868 4.599 12.516 1.00 0.00 H new ATOM 2039 N ASN A 122 -6.271 0.092 15.228 1.00 0.00 N ATOM 2040 CA ASN A 122 -6.194 -0.846 16.339 1.00 0.00 C ATOM 2041 C ASN A 122 -7.026 -2.086 16.027 1.00 0.00 C ATOM 2042 O ASN A 122 -6.726 -3.190 16.492 1.00 0.00 O ATOM 2043 CB ASN A 122 -6.700 -0.199 17.635 1.00 0.00 C ATOM 2044 CG ASN A 122 -5.912 1.034 18.051 1.00 0.00 C ATOM 2045 OD1 ASN A 122 -6.466 1.961 18.642 1.00 0.00 O ATOM 2046 ND2 ASN A 122 -4.617 1.057 17.767 1.00 0.00 N ATOM 0 H ASN A 122 -7.053 0.745 15.286 1.00 0.00 H new ATOM 0 HA ASN A 122 -5.151 -1.130 16.477 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -7.747 0.075 17.509 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -6.658 -0.934 18.438 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -4.049 1.859 18.040 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -4.189 0.272 17.276 1.00 0.00 H new ATOM 2053 N THR A 123 -8.076 -1.898 15.234 1.00 0.00 N ATOM 2054 CA THR A 123 -8.956 -2.993 14.858 1.00 0.00 C ATOM 2055 C THR A 123 -8.360 -3.804 13.710 1.00 0.00 C ATOM 2056 O THR A 123 -8.479 -5.030 13.674 1.00 0.00 O ATOM 2057 CB THR A 123 -10.355 -2.478 14.467 1.00 0.00 C ATOM 2058 OG1 THR A 123 -10.245 -1.506 13.423 1.00 0.00 O ATOM 2059 CG2 THR A 123 -11.057 -1.855 15.664 1.00 0.00 C ATOM 0 H THR A 123 -8.337 -0.994 14.840 1.00 0.00 H new ATOM 0 HA THR A 123 -9.058 -3.641 15.729 1.00 0.00 H new ATOM 0 HB THR A 123 -10.943 -3.327 14.117 1.00 0.00 H new ATOM 0 HG1 THR A 123 -9.300 -1.305 13.262 1.00 0.00 H new ATOM 0 HG21 THR A 123 -12.042 -1.499 15.363 1.00 0.00 H new ATOM 0 HG22 THR A 123 -11.166 -2.601 16.451 1.00 0.00 H new ATOM 0 HG23 THR A 123 -10.467 -1.018 16.037 1.00 0.00 H new ATOM 2067 N LEU A 124 -7.716 -3.108 12.778 1.00 0.00 N ATOM 2068 CA LEU A 124 -7.041 -3.754 11.659 1.00 0.00 C ATOM 2069 C LEU A 124 -5.862 -4.586 12.139 1.00 0.00 C ATOM 2070 O LEU A 124 -5.078 -4.144 12.983 1.00 0.00 O ATOM 2071 CB LEU A 124 -6.564 -2.713 10.643 1.00 0.00 C ATOM 2072 CG LEU A 124 -7.665 -2.092 9.783 1.00 0.00 C ATOM 2073 CD1 LEU A 124 -7.106 -0.964 8.934 1.00 0.00 C ATOM 2074 CD2 LEU A 124 -8.304 -3.153 8.901 1.00 0.00 C ATOM 0 H LEU A 124 -7.648 -2.090 12.777 1.00 0.00 H new ATOM 0 HA LEU A 124 -7.759 -4.417 11.176 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.050 -1.915 11.178 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -5.831 -3.180 9.985 1.00 0.00 H new ATOM 0 HG LEU A 124 -8.429 -1.679 10.442 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.904 -0.534 8.329 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.687 -0.194 9.582 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.325 -1.353 8.281 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -9.086 -2.698 8.294 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -7.547 -3.589 8.250 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -8.738 -3.933 9.527 1.00 0.00 H new ATOM 2086 N ARG A 125 -5.737 -5.789 11.600 1.00 0.00 N ATOM 2087 CA ARG A 125 -4.628 -6.659 11.947 1.00 0.00 C ATOM 2088 C ARG A 125 -3.489 -6.446 10.969 1.00 0.00 C ATOM 2089 O ARG A 125 -3.288 -7.221 10.033 1.00 0.00 O ATOM 2090 CB ARG A 125 -5.048 -8.133 11.978 1.00 0.00 C ATOM 2091 CG ARG A 125 -6.021 -8.464 13.099 1.00 0.00 C ATOM 2092 CD ARG A 125 -7.466 -8.192 12.708 1.00 0.00 C ATOM 2093 NE ARG A 125 -8.030 -9.285 11.918 1.00 0.00 N ATOM 2094 CZ ARG A 125 -8.716 -10.296 12.446 1.00 0.00 C ATOM 2095 NH1 ARG A 125 -8.958 -10.326 13.752 1.00 0.00 N ATOM 2096 NH2 ARG A 125 -9.166 -11.272 11.670 1.00 0.00 N ATOM 0 H ARG A 125 -6.389 -6.183 10.922 1.00 0.00 H new ATOM 0 HA ARG A 125 -4.294 -6.401 12.952 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -5.505 -8.392 11.023 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -4.158 -8.754 12.085 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -5.912 -9.513 13.373 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -5.769 -7.876 13.982 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -8.065 -8.047 13.607 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -7.520 -7.265 12.137 1.00 0.00 H new ATOM 0 HE ARG A 125 -7.890 -9.272 10.908 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -8.618 -9.574 14.351 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -9.484 -11.101 14.156 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -8.987 -11.249 10.666 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -9.691 -12.046 12.077 1.00 0.00 H new ATOM 2110 N LEU A 126 -2.779 -5.353 11.175 1.00 0.00 N ATOM 2111 CA LEU A 126 -1.664 -4.984 10.329 1.00 0.00 C ATOM 2112 C LEU A 126 -0.417 -5.740 10.760 1.00 0.00 C ATOM 2113 O LEU A 126 -0.009 -5.683 11.921 1.00 0.00 O ATOM 2114 CB LEU A 126 -1.451 -3.473 10.408 1.00 0.00 C ATOM 2115 CG LEU A 126 -2.645 -2.645 9.926 1.00 0.00 C ATOM 2116 CD1 LEU A 126 -2.641 -1.266 10.560 1.00 0.00 C ATOM 2117 CD2 LEU A 126 -2.635 -2.532 8.410 1.00 0.00 C ATOM 0 H LEU A 126 -2.960 -4.697 11.934 1.00 0.00 H new ATOM 0 HA LEU A 126 -1.877 -5.251 9.294 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -1.228 -3.202 11.440 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.576 -3.209 9.813 1.00 0.00 H new ATOM 0 HG LEU A 126 -3.558 -3.156 10.232 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.499 -0.698 10.201 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.698 -1.364 11.644 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -1.723 -0.744 10.291 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -3.490 -1.940 8.084 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -1.714 -2.047 8.087 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -2.694 -3.528 7.971 1.00 0.00 H new ATOM 2129 N ILE A 127 0.168 -6.464 9.824 1.00 0.00 N ATOM 2130 CA ILE A 127 1.308 -7.319 10.110 1.00 0.00 C ATOM 2131 C ILE A 127 2.490 -6.950 9.224 1.00 0.00 C ATOM 2132 O ILE A 127 2.421 -5.992 8.456 1.00 0.00 O ATOM 2133 CB ILE A 127 0.953 -8.807 9.898 1.00 0.00 C ATOM 2134 CG1 ILE A 127 0.379 -9.022 8.491 1.00 0.00 C ATOM 2135 CG2 ILE A 127 -0.032 -9.274 10.963 1.00 0.00 C ATOM 2136 CD1 ILE A 127 -0.045 -10.448 8.211 1.00 0.00 C ATOM 0 H ILE A 127 -0.131 -6.477 8.849 1.00 0.00 H new ATOM 0 HA ILE A 127 1.579 -7.167 11.155 1.00 0.00 H new ATOM 0 HB ILE A 127 1.862 -9.401 9.991 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -0.480 -8.365 8.356 1.00 0.00 H new ATOM 0 HG13 ILE A 127 1.126 -8.725 7.755 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.273 -10.325 10.800 1.00 0.00 H new ATOM 0 HG22 ILE A 127 0.415 -9.153 11.950 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.943 -8.679 10.902 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -0.440 -10.518 7.197 1.00 0.00 H new ATOM 0 HD12 ILE A 127 0.815 -11.110 8.312 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -0.816 -10.744 8.922 1.00 0.00 H new ATOM 2148 N ARG A 128 3.565 -7.715 9.322 1.00 0.00 N ATOM 2149 CA ARG A 128 4.740 -7.459 8.507 1.00 0.00 C ATOM 2150 C ARG A 128 4.717 -8.344 7.277 1.00 0.00 C ATOM 2151 O ARG A 128 4.616 -9.564 7.386 1.00 0.00 O ATOM 2152 CB ARG A 128 6.033 -7.718 9.288 1.00 0.00 C ATOM 2153 CG ARG A 128 6.367 -6.671 10.335 1.00 0.00 C ATOM 2154 CD ARG A 128 7.739 -6.938 10.942 1.00 0.00 C ATOM 2155 NE ARG A 128 8.134 -5.915 11.912 1.00 0.00 N ATOM 2156 CZ ARG A 128 9.315 -5.891 12.534 1.00 0.00 C ATOM 2157 NH1 ARG A 128 10.241 -6.798 12.255 1.00 0.00 N ATOM 2158 NH2 ARG A 128 9.570 -4.938 13.422 1.00 0.00 N ATOM 0 H ARG A 128 3.648 -8.512 9.953 1.00 0.00 H new ATOM 0 HA ARG A 128 4.718 -6.409 8.214 1.00 0.00 H new ATOM 0 HB2 ARG A 128 5.956 -8.689 9.777 1.00 0.00 H new ATOM 0 HB3 ARG A 128 6.861 -7.781 8.582 1.00 0.00 H new ATOM 0 HG2 ARG A 128 6.350 -5.679 9.883 1.00 0.00 H new ATOM 0 HG3 ARG A 128 5.609 -6.678 11.118 1.00 0.00 H new ATOM 0 HD2 ARG A 128 7.733 -7.913 11.430 1.00 0.00 H new ATOM 0 HD3 ARG A 128 8.482 -6.984 10.146 1.00 0.00 H new ATOM 0 HE ARG A 128 7.466 -5.175 12.126 1.00 0.00 H new ATOM 0 HH11 ARG A 128 10.054 -7.521 11.561 1.00 0.00 H new ATOM 0 HH12 ARG A 128 11.141 -6.773 12.735 1.00 0.00 H new ATOM 0 HH21 ARG A 128 8.865 -4.229 13.626 1.00 0.00 H new ATOM 0 HH22 ARG A 128 10.471 -4.914 13.900 1.00 0.00 H new ATOM 2172 N ILE A 129 4.787 -7.733 6.112 1.00 0.00 N ATOM 2173 CA ILE A 129 4.854 -8.477 4.870 1.00 0.00 C ATOM 2174 C ILE A 129 6.130 -8.123 4.119 1.00 0.00 C ATOM 2175 O ILE A 129 6.318 -6.993 3.670 1.00 0.00 O ATOM 2176 CB ILE A 129 3.610 -8.231 3.995 1.00 0.00 C ATOM 2177 CG1 ILE A 129 2.377 -8.837 4.677 1.00 0.00 C ATOM 2178 CG2 ILE A 129 3.799 -8.807 2.601 1.00 0.00 C ATOM 2179 CD1 ILE A 129 1.126 -8.814 3.830 1.00 0.00 C ATOM 0 H ILE A 129 4.799 -6.719 5.999 1.00 0.00 H new ATOM 0 HA ILE A 129 4.872 -9.540 5.110 1.00 0.00 H new ATOM 0 HB ILE A 129 3.463 -7.157 3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 129 2.598 -9.869 4.951 1.00 0.00 H new ATOM 0 HG13 ILE A 129 2.185 -8.295 5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 129 2.906 -8.619 2.005 1.00 0.00 H new ATOM 0 HG22 ILE A 129 4.658 -8.334 2.125 1.00 0.00 H new ATOM 0 HG23 ILE A 129 3.969 -9.881 2.671 1.00 0.00 H new ATOM 0 HD11 ILE A 129 0.302 -9.261 4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 129 0.877 -7.783 3.577 1.00 0.00 H new ATOM 0 HD13 ILE A 129 1.296 -9.381 2.915 1.00 0.00 H new ATOM 2191 N ASN A 130 7.004 -9.104 4.000 1.00 0.00 N ATOM 2192 CA ASN A 130 8.341 -8.887 3.471 1.00 0.00 C ATOM 2193 C ASN A 130 8.430 -9.288 2.008 1.00 0.00 C ATOM 2194 O ASN A 130 7.753 -10.224 1.564 1.00 0.00 O ATOM 2195 CB ASN A 130 9.369 -9.671 4.299 1.00 0.00 C ATOM 2196 CG ASN A 130 10.803 -9.484 3.825 1.00 0.00 C ATOM 2197 OD1 ASN A 130 11.164 -8.447 3.272 1.00 0.00 O ATOM 2198 ND2 ASN A 130 11.635 -10.488 4.062 1.00 0.00 N ATOM 0 H ASN A 130 6.811 -10.070 4.265 1.00 0.00 H new ATOM 0 HA ASN A 130 8.562 -7.822 3.540 1.00 0.00 H new ATOM 0 HB2 ASN A 130 9.296 -9.361 5.341 1.00 0.00 H new ATOM 0 HB3 ASN A 130 9.119 -10.731 4.264 1.00 0.00 H new ATOM 0 HD21 ASN A 130 12.613 -10.416 3.783 1.00 0.00 H new ATOM 0 HD22 ASN A 130 11.297 -11.332 4.523 1.00 0.00 H new ATOM 2205 N ASP A 131 9.255 -8.540 1.283 1.00 0.00 N ATOM 2206 CA ASP A 131 9.597 -8.803 -0.111 1.00 0.00 C ATOM 2207 C ASP A 131 8.366 -8.827 -1.012 1.00 0.00 C ATOM 2208 O ASP A 131 7.989 -7.803 -1.565 1.00 0.00 O ATOM 2209 CB ASP A 131 10.404 -10.100 -0.246 1.00 0.00 C ATOM 2210 CG ASP A 131 11.145 -10.172 -1.566 1.00 0.00 C ATOM 2211 OD1 ASP A 131 12.223 -9.548 -1.681 1.00 0.00 O ATOM 2212 OD2 ASP A 131 10.661 -10.848 -2.492 1.00 0.00 O ATOM 0 H ASP A 131 9.717 -7.712 1.659 1.00 0.00 H new ATOM 0 HA ASP A 131 10.222 -7.976 -0.447 1.00 0.00 H new ATOM 0 HB2 ASP A 131 11.118 -10.170 0.575 1.00 0.00 H new ATOM 0 HB3 ASP A 131 9.734 -10.955 -0.159 1.00 0.00 H new ATOM 2217 N LYS A 132 7.726 -9.977 -1.152 1.00 0.00 N ATOM 2218 CA LYS A 132 6.593 -10.093 -2.058 1.00 0.00 C ATOM 2219 C LYS A 132 5.471 -10.925 -1.453 1.00 0.00 C ATOM 2220 O LYS A 132 5.328 -12.109 -1.746 1.00 0.00 O ATOM 2221 CB LYS A 132 7.040 -10.683 -3.400 1.00 0.00 C ATOM 2222 CG LYS A 132 8.019 -9.797 -4.151 1.00 0.00 C ATOM 2223 CD LYS A 132 8.642 -10.513 -5.335 1.00 0.00 C ATOM 2224 CE LYS A 132 9.742 -9.674 -5.961 1.00 0.00 C ATOM 2225 NZ LYS A 132 10.494 -10.422 -7.001 1.00 0.00 N ATOM 0 H LYS A 132 7.968 -10.835 -0.656 1.00 0.00 H new ATOM 0 HA LYS A 132 6.201 -9.090 -2.228 1.00 0.00 H new ATOM 0 HB2 LYS A 132 7.501 -11.655 -3.226 1.00 0.00 H new ATOM 0 HB3 LYS A 132 6.163 -10.853 -4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 132 7.504 -8.902 -4.499 1.00 0.00 H new ATOM 0 HG3 LYS A 132 8.805 -9.469 -3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 132 9.050 -11.471 -5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 132 7.875 -10.728 -6.079 1.00 0.00 H new ATOM 0 HE2 LYS A 132 9.306 -8.778 -6.404 1.00 0.00 H new ATOM 0 HE3 LYS A 132 10.431 -9.343 -5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 11.234 -9.811 -7.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 10.932 -11.263 -6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 9.842 -10.716 -7.756 1.00 0.00 H new ATOM 2239 N GLY A 133 4.692 -10.291 -0.586 1.00 0.00 N ATOM 2240 CA GLY A 133 3.506 -10.927 -0.041 1.00 0.00 C ATOM 2241 C GLY A 133 3.817 -11.979 1.005 1.00 0.00 C ATOM 2242 O GLY A 133 2.937 -12.756 1.384 1.00 0.00 O ATOM 0 H GLY A 133 4.861 -9.343 -0.249 1.00 0.00 H new ATOM 0 HA2 GLY A 133 2.864 -10.165 0.400 1.00 0.00 H new ATOM 0 HA3 GLY A 133 2.943 -11.387 -0.853 1.00 0.00 H new ATOM 2246 N GLU A 134 5.051 -11.993 1.495 1.00 0.00 N ATOM 2247 CA GLU A 134 5.464 -12.997 2.459 1.00 0.00 C ATOM 2248 C GLU A 134 5.204 -12.500 3.870 1.00 0.00 C ATOM 2249 O GLU A 134 5.509 -11.355 4.192 1.00 0.00 O ATOM 2250 CB GLU A 134 6.942 -13.333 2.277 1.00 0.00 C ATOM 2251 CG GLU A 134 7.272 -13.862 0.892 1.00 0.00 C ATOM 2252 CD GLU A 134 8.695 -14.361 0.788 1.00 0.00 C ATOM 2253 OE1 GLU A 134 8.951 -15.512 1.204 1.00 0.00 O ATOM 2254 OE2 GLU A 134 9.562 -13.610 0.296 1.00 0.00 O ATOM 0 H GLU A 134 5.777 -11.323 1.240 1.00 0.00 H new ATOM 0 HA GLU A 134 4.882 -13.904 2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 134 7.537 -12.440 2.468 1.00 0.00 H new ATOM 0 HB3 GLU A 134 7.233 -14.075 3.021 1.00 0.00 H new ATOM 0 HG2 GLU A 134 6.587 -14.672 0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 134 7.112 -13.073 0.157 1.00 0.00 H new ATOM 2261 N GLN A 135 4.641 -13.351 4.709 1.00 0.00 N ATOM 2262 CA GLN A 135 4.253 -12.926 6.042 1.00 0.00 C ATOM 2263 C GLN A 135 5.410 -13.072 7.017 1.00 0.00 C ATOM 2264 O GLN A 135 6.047 -14.123 7.103 1.00 0.00 O ATOM 2265 CB GLN A 135 3.044 -13.713 6.549 1.00 0.00 C ATOM 2266 CG GLN A 135 2.466 -13.134 7.832 1.00 0.00 C ATOM 2267 CD GLN A 135 1.292 -13.923 8.369 1.00 0.00 C ATOM 2268 OE1 GLN A 135 0.554 -14.558 7.617 1.00 0.00 O ATOM 2269 NE2 GLN A 135 1.100 -13.867 9.676 1.00 0.00 N ATOM 0 H GLN A 135 4.444 -14.329 4.495 1.00 0.00 H new ATOM 0 HA GLN A 135 3.976 -11.874 5.978 1.00 0.00 H new ATOM 0 HB2 GLN A 135 2.272 -13.723 5.779 1.00 0.00 H new ATOM 0 HB3 GLN A 135 3.336 -14.749 6.721 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.248 -13.098 8.591 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.151 -12.107 7.649 1.00 0.00 H new ATOM 0 HE21 GLN A 135 1.737 -13.328 10.262 1.00 0.00 H new ATOM 0 HE22 GLN A 135 0.315 -14.363 10.098 1.00 0.00 H new ATOM 2278 N VAL A 136 5.676 -12.005 7.744 1.00 0.00 N ATOM 2279 CA VAL A 136 6.716 -12.002 8.749 1.00 0.00 C ATOM 2280 C VAL A 136 6.085 -12.098 10.129 1.00 0.00 C ATOM 2281 O VAL A 136 5.084 -11.432 10.402 1.00 0.00 O ATOM 2282 CB VAL A 136 7.574 -10.724 8.666 1.00 0.00 C ATOM 2283 CG1 VAL A 136 8.833 -10.857 9.510 1.00 0.00 C ATOM 2284 CG2 VAL A 136 7.917 -10.400 7.222 1.00 0.00 C ATOM 0 H VAL A 136 5.178 -11.119 7.654 1.00 0.00 H new ATOM 0 HA VAL A 136 7.365 -12.860 8.571 1.00 0.00 H new ATOM 0 HB VAL A 136 6.990 -9.897 9.068 1.00 0.00 H new ATOM 0 HG11 VAL A 136 9.420 -9.942 9.434 1.00 0.00 H new ATOM 0 HG12 VAL A 136 8.557 -11.026 10.551 1.00 0.00 H new ATOM 0 HG13 VAL A 136 9.425 -11.699 9.151 1.00 0.00 H new ATOM 0 HG21 VAL A 136 8.523 -9.495 7.186 1.00 0.00 H new ATOM 0 HG22 VAL A 136 8.476 -11.228 6.786 1.00 0.00 H new ATOM 0 HG23 VAL A 136 6.999 -10.245 6.656 1.00 0.00 H new ATOM 2294 N VAL A 137 6.659 -12.940 10.982 1.00 0.00 N ATOM 2295 CA VAL A 137 6.166 -13.116 12.346 1.00 0.00 C ATOM 2296 C VAL A 137 6.128 -11.780 13.085 1.00 0.00 C ATOM 2297 O VAL A 137 5.196 -11.490 13.834 1.00 0.00 O ATOM 2298 CB VAL A 137 7.040 -14.117 13.134 1.00 0.00 C ATOM 2299 CG1 VAL A 137 6.493 -14.339 14.536 1.00 0.00 C ATOM 2300 CG2 VAL A 137 7.144 -15.438 12.388 1.00 0.00 C ATOM 0 H VAL A 137 7.470 -13.514 10.752 1.00 0.00 H new ATOM 0 HA VAL A 137 5.154 -13.516 12.277 1.00 0.00 H new ATOM 0 HB VAL A 137 8.039 -13.690 13.226 1.00 0.00 H new ATOM 0 HG11 VAL A 137 7.129 -15.048 15.067 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.478 -13.392 15.075 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.480 -14.737 14.473 1.00 0.00 H new ATOM 0 HG21 VAL A 137 7.763 -16.130 12.958 1.00 0.00 H new ATOM 0 HG22 VAL A 137 6.148 -15.863 12.260 1.00 0.00 H new ATOM 0 HG23 VAL A 137 7.595 -15.269 11.410 1.00 0.00 H new