USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 752 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 75 TYR OH : rot 180:sc= -0.804 USER MOD Set 1.2: A 122 ASN : amide:sc= 0 K(o=-0.8,f=-0.075) USER MOD Set 2.1: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 62 LYS NZ :NH3+ 175:sc= 0.102 (180deg=0.0974) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -98:sc= 0.874 USER MOD Single : A 40 MET CE :methyl -159:sc= -1.68 (180deg=-2.01) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -70:sc= -1.62 USER MOD Single : A 48 TYR OH : rot 141:sc= 0.831 USER MOD Single : A 49 ASN : amide:sc= -0.423 K(o=-0.42,f=-3.9!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 160:sc= -2.54 (180deg=-2.9!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.785 X(o=-0.79,f=-0.33) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -147:sc= -9.66! (180deg=-11.4!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -138:sc= -5.77! (180deg=-8.64!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 90:sc= -0.147 USER MOD Single : A 93 SER OG : rot 140:sc= -0.679 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 95 GLN : amide:sc= -4.53! C(o=-4.5!,f=-6.8!) USER MOD Single : A 96 CYS SG : rot -37:sc= -3.75! USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -1.01 X(o=-1,f=-0.82) USER MOD Single : A 100 MET CE :methyl -150:sc= -0.541 (180deg=-2.56!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.8) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ -99:sc= -0.995 (180deg=-2.43!) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -3.68! C(o=-3.7!,f=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 355 N GLU A 19 129.622 -6.939 -5.810 1.00 0.00 N ATOM 356 CA GLU A 19 128.559 -6.133 -6.477 1.00 0.00 C ATOM 357 C GLU A 19 127.617 -5.534 -5.431 1.00 0.00 C ATOM 358 O GLU A 19 126.414 -5.685 -5.506 1.00 0.00 O ATOM 359 CB GLU A 19 127.810 -7.122 -7.370 1.00 0.00 C ATOM 360 CG GLU A 19 128.772 -7.710 -8.403 1.00 0.00 C ATOM 361 CD GLU A 19 128.047 -7.883 -9.738 1.00 0.00 C ATOM 362 OE1 GLU A 19 127.189 -7.067 -10.034 1.00 0.00 O ATOM 363 OE2 GLU A 19 128.361 -8.829 -10.443 1.00 0.00 O ATOM 0 HA GLU A 19 128.970 -5.301 -7.049 1.00 0.00 H new ATOM 0 HB2 GLU A 19 127.378 -7.919 -6.765 1.00 0.00 H new ATOM 0 HB3 GLU A 19 126.983 -6.620 -7.872 1.00 0.00 H new ATOM 0 HG2 GLU A 19 129.633 -7.054 -8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 19 129.151 -8.671 -8.056 1.00 0.00 H new ATOM 370 N ALA A 20 128.155 -4.853 -4.456 1.00 0.00 N ATOM 371 CA ALA A 20 127.288 -4.244 -3.407 1.00 0.00 C ATOM 372 C ALA A 20 126.204 -3.381 -4.056 1.00 0.00 C ATOM 373 O ALA A 20 125.036 -3.493 -3.740 1.00 0.00 O ATOM 374 CB ALA A 20 128.230 -3.381 -2.567 1.00 0.00 C ATOM 0 H ALA A 20 129.156 -4.692 -4.340 1.00 0.00 H new ATOM 0 HA ALA A 20 126.778 -4.995 -2.804 1.00 0.00 H new ATOM 0 HB1 ALA A 20 127.666 -2.897 -1.770 1.00 0.00 H new ATOM 0 HB2 ALA A 20 129.007 -4.009 -2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 20 128.689 -2.622 -3.200 1.00 0.00 H new ATOM 380 N GLU A 21 126.581 -2.521 -4.963 1.00 0.00 N ATOM 381 CA GLU A 21 125.569 -1.653 -5.631 1.00 0.00 C ATOM 382 C GLU A 21 124.340 -2.481 -6.013 1.00 0.00 C ATOM 383 O GLU A 21 123.218 -2.023 -5.921 1.00 0.00 O ATOM 384 CB GLU A 21 126.269 -1.122 -6.882 1.00 0.00 C ATOM 385 CG GLU A 21 126.489 -2.268 -7.872 1.00 0.00 C ATOM 386 CD GLU A 21 127.349 -1.778 -9.039 1.00 0.00 C ATOM 387 OE1 GLU A 21 126.841 -1.013 -9.842 1.00 0.00 O ATOM 388 OE2 GLU A 21 128.500 -2.176 -9.108 1.00 0.00 O ATOM 0 H GLU A 21 127.544 -2.382 -5.270 1.00 0.00 H new ATOM 0 HA GLU A 21 125.222 -0.846 -4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 21 125.667 -0.340 -7.344 1.00 0.00 H new ATOM 0 HB3 GLU A 21 127.225 -0.672 -6.613 1.00 0.00 H new ATOM 0 HG2 GLU A 21 126.978 -3.105 -7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 21 125.530 -2.633 -8.241 1.00 0.00 H new ATOM 395 N ILE A 22 124.543 -3.698 -6.436 1.00 0.00 N ATOM 396 CA ILE A 22 123.387 -4.556 -6.821 1.00 0.00 C ATOM 397 C ILE A 22 122.615 -4.990 -5.571 1.00 0.00 C ATOM 398 O ILE A 22 121.400 -4.983 -5.545 1.00 0.00 O ATOM 399 CB ILE A 22 124.008 -5.767 -7.517 1.00 0.00 C ATOM 400 CG1 ILE A 22 124.880 -5.291 -8.681 1.00 0.00 C ATOM 401 CG2 ILE A 22 122.899 -6.674 -8.051 1.00 0.00 C ATOM 402 CD1 ILE A 22 123.992 -4.687 -9.772 1.00 0.00 C ATOM 0 H ILE A 22 125.459 -4.136 -6.532 1.00 0.00 H new ATOM 0 HA ILE A 22 122.680 -4.035 -7.466 1.00 0.00 H new ATOM 0 HB ILE A 22 124.619 -6.322 -6.805 1.00 0.00 H new ATOM 0 HG12 ILE A 22 125.599 -4.550 -8.331 1.00 0.00 H new ATOM 0 HG13 ILE A 22 125.453 -6.126 -9.085 1.00 0.00 H new ATOM 0 HG21 ILE A 22 123.342 -7.537 -8.547 1.00 0.00 H new ATOM 0 HG22 ILE A 22 122.275 -7.012 -7.223 1.00 0.00 H new ATOM 0 HG23 ILE A 22 122.288 -6.120 -8.764 1.00 0.00 H new ATOM 0 HD11 ILE A 22 124.614 -4.348 -10.601 1.00 0.00 H new ATOM 0 HD12 ILE A 22 123.291 -5.441 -10.129 1.00 0.00 H new ATOM 0 HD13 ILE A 22 123.439 -3.841 -9.364 1.00 0.00 H new ATOM 414 N LYS A 23 123.311 -5.364 -4.532 1.00 0.00 N ATOM 415 CA LYS A 23 122.616 -5.794 -3.285 1.00 0.00 C ATOM 416 C LYS A 23 121.680 -4.687 -2.792 1.00 0.00 C ATOM 417 O LYS A 23 120.640 -4.949 -2.223 1.00 0.00 O ATOM 418 CB LYS A 23 123.734 -6.039 -2.272 1.00 0.00 C ATOM 419 CG LYS A 23 124.694 -7.099 -2.818 1.00 0.00 C ATOM 420 CD LYS A 23 124.282 -8.477 -2.299 1.00 0.00 C ATOM 421 CE LYS A 23 125.429 -9.467 -2.513 1.00 0.00 C ATOM 422 NZ LYS A 23 124.798 -10.813 -2.421 1.00 0.00 N ATOM 0 H LYS A 23 124.330 -5.390 -4.493 1.00 0.00 H new ATOM 0 HA LYS A 23 122.004 -6.682 -3.440 1.00 0.00 H new ATOM 0 HB2 LYS A 23 124.272 -5.111 -2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 23 123.313 -6.369 -1.322 1.00 0.00 H new ATOM 0 HG2 LYS A 23 124.680 -7.090 -3.908 1.00 0.00 H new ATOM 0 HG3 LYS A 23 125.715 -6.873 -2.510 1.00 0.00 H new ATOM 0 HD2 LYS A 23 124.031 -8.418 -1.240 1.00 0.00 H new ATOM 0 HD3 LYS A 23 123.388 -8.821 -2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 23 125.903 -9.319 -3.483 1.00 0.00 H new ATOM 0 HE3 LYS A 23 126.205 -9.342 -1.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 125.523 -11.546 -2.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 124.361 -10.928 -1.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 124.069 -10.906 -3.157 1.00 0.00 H new ATOM 436 N VAL A 24 122.042 -3.452 -3.008 1.00 0.00 N ATOM 437 CA VAL A 24 121.172 -2.329 -2.552 1.00 0.00 C ATOM 438 C VAL A 24 119.979 -2.167 -3.498 1.00 0.00 C ATOM 439 O VAL A 24 118.877 -1.870 -3.078 1.00 0.00 O ATOM 440 CB VAL A 24 122.065 -1.089 -2.600 1.00 0.00 C ATOM 441 CG1 VAL A 24 121.236 0.150 -2.260 1.00 0.00 C ATOM 442 CG2 VAL A 24 123.201 -1.236 -1.584 1.00 0.00 C ATOM 0 H VAL A 24 122.902 -3.171 -3.480 1.00 0.00 H new ATOM 0 HA VAL A 24 120.767 -2.500 -1.555 1.00 0.00 H new ATOM 0 HB VAL A 24 122.484 -0.983 -3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 24 121.872 1.034 -2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 24 120.428 0.257 -2.983 1.00 0.00 H new ATOM 0 HG13 VAL A 24 120.816 0.044 -1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 24 123.837 -0.352 -1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 24 122.783 -1.343 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 24 123.793 -2.119 -1.826 1.00 0.00 H new ATOM 452 N ARG A 25 120.188 -2.355 -4.772 1.00 0.00 N ATOM 453 CA ARG A 25 119.065 -2.208 -5.743 1.00 0.00 C ATOM 454 C ARG A 25 117.931 -3.171 -5.390 1.00 0.00 C ATOM 455 O ARG A 25 116.766 -2.847 -5.510 1.00 0.00 O ATOM 456 CB ARG A 25 119.667 -2.562 -7.103 1.00 0.00 C ATOM 457 CG ARG A 25 118.763 -2.025 -8.215 1.00 0.00 C ATOM 458 CD ARG A 25 119.599 -1.760 -9.470 1.00 0.00 C ATOM 459 NE ARG A 25 118.836 -2.396 -10.579 1.00 0.00 N ATOM 460 CZ ARG A 25 118.912 -3.686 -10.767 1.00 0.00 C ATOM 461 NH1 ARG A 25 120.079 -4.270 -10.820 1.00 0.00 N ATOM 462 NH2 ARG A 25 117.823 -4.390 -10.903 1.00 0.00 N ATOM 0 H ARG A 25 121.087 -2.604 -5.183 1.00 0.00 H new ATOM 0 HA ARG A 25 118.641 -1.204 -5.735 1.00 0.00 H new ATOM 0 HB2 ARG A 25 120.666 -2.135 -7.193 1.00 0.00 H new ATOM 0 HB3 ARG A 25 119.773 -3.643 -7.196 1.00 0.00 H new ATOM 0 HG2 ARG A 25 117.974 -2.744 -8.436 1.00 0.00 H new ATOM 0 HG3 ARG A 25 118.275 -1.106 -7.890 1.00 0.00 H new ATOM 0 HD2 ARG A 25 119.728 -0.691 -9.641 1.00 0.00 H new ATOM 0 HD3 ARG A 25 120.596 -2.190 -9.379 1.00 0.00 H new ATOM 0 HE ARG A 25 118.254 -1.824 -11.192 1.00 0.00 H new ATOM 0 HH11 ARG A 25 120.931 -3.718 -10.715 1.00 0.00 H new ATOM 0 HH12 ARG A 25 120.139 -5.278 -10.967 1.00 0.00 H new ATOM 0 HH21 ARG A 25 116.912 -3.933 -10.863 1.00 0.00 H new ATOM 0 HH22 ARG A 25 117.882 -5.398 -11.050 1.00 0.00 H new ATOM 476 N GLU A 26 118.264 -4.353 -4.955 1.00 0.00 N ATOM 477 CA GLU A 26 117.208 -5.340 -4.593 1.00 0.00 C ATOM 478 C GLU A 26 116.706 -5.078 -3.170 1.00 0.00 C ATOM 479 O GLU A 26 115.518 -5.012 -2.923 1.00 0.00 O ATOM 480 CB GLU A 26 117.893 -6.704 -4.678 1.00 0.00 C ATOM 481 CG GLU A 26 118.224 -7.020 -6.138 1.00 0.00 C ATOM 482 CD GLU A 26 118.491 -8.519 -6.288 1.00 0.00 C ATOM 483 OE1 GLU A 26 118.581 -9.190 -5.274 1.00 0.00 O ATOM 484 OE2 GLU A 26 118.599 -8.971 -7.416 1.00 0.00 O ATOM 0 H GLU A 26 119.223 -4.680 -4.834 1.00 0.00 H new ATOM 0 HA GLU A 26 116.342 -5.279 -5.252 1.00 0.00 H new ATOM 0 HB2 GLU A 26 118.804 -6.703 -4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 26 117.242 -7.476 -4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 26 117.397 -6.721 -6.782 1.00 0.00 H new ATOM 0 HG3 GLU A 26 119.098 -6.451 -6.455 1.00 0.00 H new ATOM 491 N ALA A 27 117.602 -4.927 -2.233 1.00 0.00 N ATOM 492 CA ALA A 27 117.177 -4.668 -0.827 1.00 0.00 C ATOM 493 C ALA A 27 116.064 -3.617 -0.797 1.00 0.00 C ATOM 494 O ALA A 27 115.051 -3.790 -0.148 1.00 0.00 O ATOM 495 CB ALA A 27 118.432 -4.144 -0.123 1.00 0.00 C ATOM 0 H ALA A 27 118.610 -4.972 -2.380 1.00 0.00 H new ATOM 0 HA ALA A 27 116.783 -5.561 -0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 27 118.201 -3.929 0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 27 119.218 -4.897 -0.173 1.00 0.00 H new ATOM 0 HB3 ALA A 27 118.771 -3.232 -0.615 1.00 0.00 H new ATOM 501 N THR A 28 116.244 -2.531 -1.498 1.00 0.00 N ATOM 502 CA THR A 28 115.196 -1.470 -1.512 1.00 0.00 C ATOM 503 C THR A 28 113.950 -1.968 -2.249 1.00 0.00 C ATOM 504 O THR A 28 112.855 -1.944 -1.724 1.00 0.00 O ATOM 505 CB THR A 28 115.829 -0.298 -2.262 1.00 0.00 C ATOM 506 OG1 THR A 28 116.551 -0.790 -3.382 1.00 0.00 O ATOM 507 CG2 THR A 28 116.781 0.454 -1.330 1.00 0.00 C ATOM 0 H THR A 28 117.071 -2.332 -2.061 1.00 0.00 H new ATOM 0 HA THR A 28 114.880 -1.188 -0.508 1.00 0.00 H new ATOM 0 HB THR A 28 115.047 0.381 -2.602 1.00 0.00 H new ATOM 0 HG1 THR A 28 117.501 -0.863 -3.152 1.00 0.00 H new ATOM 0 HG21 THR A 28 117.231 1.289 -1.867 1.00 0.00 H new ATOM 0 HG22 THR A 28 116.226 0.831 -0.471 1.00 0.00 H new ATOM 0 HG23 THR A 28 117.565 -0.222 -0.988 1.00 0.00 H new ATOM 644 N LEU A 39 120.623 -9.905 2.372 1.00 0.00 N ATOM 645 CA LEU A 39 120.606 -8.520 1.821 1.00 0.00 C ATOM 646 C LEU A 39 120.885 -7.505 2.932 1.00 0.00 C ATOM 647 O LEU A 39 121.282 -6.385 2.678 1.00 0.00 O ATOM 648 CB LEU A 39 119.193 -8.334 1.267 1.00 0.00 C ATOM 649 CG LEU A 39 119.261 -8.169 -0.252 1.00 0.00 C ATOM 650 CD1 LEU A 39 119.907 -6.824 -0.589 1.00 0.00 C ATOM 651 CD2 LEU A 39 120.098 -9.300 -0.851 1.00 0.00 C ATOM 0 HA LEU A 39 121.368 -8.370 1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 39 118.574 -9.194 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 39 118.726 -7.459 1.718 1.00 0.00 H new ATOM 0 HG LEU A 39 118.254 -8.204 -0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 39 119.956 -6.705 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 39 119.311 -6.017 -0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 39 120.914 -6.790 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 39 120.147 -9.183 -1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 39 121.106 -9.266 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 39 119.639 -10.259 -0.610 1.00 0.00 H new ATOM 663 N MET A 40 120.678 -7.888 4.163 1.00 0.00 N ATOM 664 CA MET A 40 120.933 -6.944 5.289 1.00 0.00 C ATOM 665 C MET A 40 122.378 -7.080 5.776 1.00 0.00 C ATOM 666 O MET A 40 123.141 -6.135 5.756 1.00 0.00 O ATOM 667 CB MET A 40 119.954 -7.363 6.386 1.00 0.00 C ATOM 668 CG MET A 40 118.893 -6.277 6.566 1.00 0.00 C ATOM 669 SD MET A 40 117.344 -7.031 7.118 1.00 0.00 S ATOM 670 CE MET A 40 116.386 -5.501 7.255 1.00 0.00 C ATOM 0 H MET A 40 120.344 -8.812 4.437 1.00 0.00 H new ATOM 0 HA MET A 40 120.794 -5.903 4.996 1.00 0.00 H new ATOM 0 HB2 MET A 40 119.480 -8.309 6.123 1.00 0.00 H new ATOM 0 HB3 MET A 40 120.488 -7.523 7.323 1.00 0.00 H new ATOM 0 HG2 MET A 40 119.231 -5.541 7.295 1.00 0.00 H new ATOM 0 HG3 MET A 40 118.737 -5.747 5.626 1.00 0.00 H new ATOM 0 HE1 MET A 40 115.537 -5.662 7.919 1.00 0.00 H new ATOM 0 HE2 MET A 40 117.018 -4.711 7.660 1.00 0.00 H new ATOM 0 HE3 MET A 40 116.025 -5.208 6.269 1.00 0.00 H new ATOM 680 N SER A 41 122.758 -8.248 6.212 1.00 0.00 N ATOM 681 CA SER A 41 124.154 -8.445 6.699 1.00 0.00 C ATOM 682 C SER A 41 125.132 -8.435 5.521 1.00 0.00 C ATOM 683 O SER A 41 126.331 -8.357 5.698 1.00 0.00 O ATOM 684 CB SER A 41 124.146 -9.814 7.377 1.00 0.00 C ATOM 685 OG SER A 41 125.089 -9.816 8.442 1.00 0.00 O ATOM 0 H SER A 41 122.163 -9.076 6.253 1.00 0.00 H new ATOM 0 HA SER A 41 124.470 -7.654 7.380 1.00 0.00 H new ATOM 0 HB2 SER A 41 123.150 -10.038 7.758 1.00 0.00 H new ATOM 0 HB3 SER A 41 124.394 -10.592 6.655 1.00 0.00 H new ATOM 0 HG SER A 41 125.086 -10.692 8.880 1.00 0.00 H new ATOM 691 N GLU A 42 124.628 -8.516 4.320 1.00 0.00 N ATOM 692 CA GLU A 42 125.529 -8.514 3.134 1.00 0.00 C ATOM 693 C GLU A 42 125.887 -7.078 2.740 1.00 0.00 C ATOM 694 O GLU A 42 127.026 -6.665 2.833 1.00 0.00 O ATOM 695 CB GLU A 42 124.724 -9.191 2.024 1.00 0.00 C ATOM 696 CG GLU A 42 125.103 -10.672 1.948 1.00 0.00 C ATOM 697 CD GLU A 42 126.409 -10.826 1.167 1.00 0.00 C ATOM 698 OE1 GLU A 42 127.279 -9.986 1.334 1.00 0.00 O ATOM 699 OE2 GLU A 42 126.519 -11.781 0.416 1.00 0.00 O ATOM 0 H GLU A 42 123.632 -8.583 4.109 1.00 0.00 H new ATOM 0 HA GLU A 42 126.469 -9.031 3.330 1.00 0.00 H new ATOM 0 HB2 GLU A 42 123.657 -9.088 2.220 1.00 0.00 H new ATOM 0 HB3 GLU A 42 124.922 -8.705 1.069 1.00 0.00 H new ATOM 0 HG2 GLU A 42 125.217 -11.081 2.952 1.00 0.00 H new ATOM 0 HG3 GLU A 42 124.308 -11.237 1.462 1.00 0.00 H new ATOM 706 N ILE A 43 124.924 -6.314 2.300 1.00 0.00 N ATOM 707 CA ILE A 43 125.215 -4.906 1.901 1.00 0.00 C ATOM 708 C ILE A 43 126.082 -4.226 2.965 1.00 0.00 C ATOM 709 O ILE A 43 126.974 -3.463 2.654 1.00 0.00 O ATOM 710 CB ILE A 43 123.846 -4.233 1.799 1.00 0.00 C ATOM 711 CG1 ILE A 43 123.051 -4.877 0.659 1.00 0.00 C ATOM 712 CG2 ILE A 43 124.029 -2.742 1.512 1.00 0.00 C ATOM 713 CD1 ILE A 43 121.647 -4.274 0.606 1.00 0.00 C ATOM 0 H ILE A 43 123.951 -6.602 2.200 1.00 0.00 H new ATOM 0 HA ILE A 43 125.765 -4.844 0.962 1.00 0.00 H new ATOM 0 HB ILE A 43 123.307 -4.357 2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 43 123.562 -4.716 -0.290 1.00 0.00 H new ATOM 0 HG13 ILE A 43 122.989 -5.955 0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 43 123.053 -2.263 1.439 1.00 0.00 H new ATOM 0 HG22 ILE A 43 124.599 -2.283 2.320 1.00 0.00 H new ATOM 0 HG23 ILE A 43 124.566 -2.616 0.572 1.00 0.00 H new ATOM 0 HD11 ILE A 43 121.084 -4.734 -0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 43 121.136 -4.457 1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 43 121.719 -3.200 0.435 1.00 0.00 H new ATOM 725 N ALA A 44 125.837 -4.505 4.216 1.00 0.00 N ATOM 726 CA ALA A 44 126.659 -3.880 5.292 1.00 0.00 C ATOM 727 C ALA A 44 128.087 -4.431 5.226 1.00 0.00 C ATOM 728 O ALA A 44 129.056 -3.693 5.169 1.00 0.00 O ATOM 729 CB ALA A 44 125.978 -4.286 6.599 1.00 0.00 C ATOM 0 H ALA A 44 125.105 -5.137 4.540 1.00 0.00 H new ATOM 0 HA ALA A 44 126.726 -2.796 5.198 1.00 0.00 H new ATOM 0 HB1 ALA A 44 126.526 -3.863 7.441 1.00 0.00 H new ATOM 0 HB2 ALA A 44 124.954 -3.912 6.607 1.00 0.00 H new ATOM 0 HB3 ALA A 44 125.968 -5.373 6.682 1.00 0.00 H new ATOM 735 N ASP A 45 128.227 -5.728 5.214 1.00 0.00 N ATOM 736 CA ASP A 45 129.589 -6.316 5.129 1.00 0.00 C ATOM 737 C ASP A 45 130.311 -5.721 3.920 1.00 0.00 C ATOM 738 O ASP A 45 131.522 -5.728 3.837 1.00 0.00 O ATOM 739 CB ASP A 45 129.367 -7.819 4.945 1.00 0.00 C ATOM 740 CG ASP A 45 130.657 -8.569 5.277 1.00 0.00 C ATOM 741 OD1 ASP A 45 131.309 -8.191 6.237 1.00 0.00 O ATOM 742 OD2 ASP A 45 130.972 -9.509 4.568 1.00 0.00 O ATOM 0 H ASP A 45 127.461 -6.400 5.259 1.00 0.00 H new ATOM 0 HA ASP A 45 130.197 -6.113 6.010 1.00 0.00 H new ATOM 0 HB2 ASP A 45 128.559 -8.160 5.592 1.00 0.00 H new ATOM 0 HB3 ASP A 45 129.065 -8.030 3.919 1.00 0.00 H new ATOM 747 N LEU A 46 129.564 -5.196 2.985 1.00 0.00 N ATOM 748 CA LEU A 46 130.190 -4.586 1.781 1.00 0.00 C ATOM 749 C LEU A 46 130.654 -3.163 2.095 1.00 0.00 C ATOM 750 O LEU A 46 131.679 -2.720 1.620 1.00 0.00 O ATOM 751 CB LEU A 46 129.088 -4.576 0.723 1.00 0.00 C ATOM 752 CG LEU A 46 129.105 -5.900 -0.040 1.00 0.00 C ATOM 753 CD1 LEU A 46 127.833 -6.023 -0.879 1.00 0.00 C ATOM 754 CD2 LEU A 46 130.328 -5.940 -0.958 1.00 0.00 C ATOM 0 H LEU A 46 128.545 -5.164 3.006 1.00 0.00 H new ATOM 0 HA LEU A 46 131.068 -5.138 1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 46 128.117 -4.428 1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 46 129.238 -3.745 0.034 1.00 0.00 H new ATOM 0 HG LEU A 46 129.153 -6.728 0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 46 127.846 -6.968 -1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 46 126.961 -5.993 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 46 127.784 -5.197 -1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 46 130.343 -6.884 -1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 46 130.279 -5.112 -1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 46 131.235 -5.853 -0.360 1.00 0.00 H new ATOM 766 N THR A 47 129.916 -2.443 2.895 1.00 0.00 N ATOM 767 CA THR A 47 130.344 -1.055 3.230 1.00 0.00 C ATOM 768 C THR A 47 131.786 -1.082 3.727 1.00 0.00 C ATOM 769 O THR A 47 132.589 -0.236 3.386 1.00 0.00 O ATOM 770 CB THR A 47 129.411 -0.578 4.347 1.00 0.00 C ATOM 771 OG1 THR A 47 129.521 -1.452 5.461 1.00 0.00 O ATOM 772 CG2 THR A 47 127.970 -0.558 3.845 1.00 0.00 C ATOM 0 H THR A 47 129.045 -2.751 3.327 1.00 0.00 H new ATOM 0 HA THR A 47 130.293 -0.392 2.366 1.00 0.00 H new ATOM 0 HB THR A 47 129.695 0.430 4.649 1.00 0.00 H new ATOM 0 HG1 THR A 47 129.115 -2.316 5.240 1.00 0.00 H new ATOM 0 HG21 THR A 47 127.311 -0.218 4.644 1.00 0.00 H new ATOM 0 HG22 THR A 47 127.890 0.120 2.995 1.00 0.00 H new ATOM 0 HG23 THR A 47 127.678 -1.562 3.537 1.00 0.00 H new ATOM 780 N TYR A 48 132.124 -2.059 4.525 1.00 0.00 N ATOM 781 CA TYR A 48 133.525 -2.143 5.034 1.00 0.00 C ATOM 782 C TYR A 48 134.499 -1.852 3.891 1.00 0.00 C ATOM 783 O TYR A 48 135.457 -1.121 4.042 1.00 0.00 O ATOM 784 CB TYR A 48 133.690 -3.582 5.520 1.00 0.00 C ATOM 785 CG TYR A 48 132.900 -3.781 6.788 1.00 0.00 C ATOM 786 CD1 TYR A 48 133.452 -3.423 8.024 1.00 0.00 C ATOM 787 CD2 TYR A 48 131.615 -4.327 6.729 1.00 0.00 C ATOM 788 CE1 TYR A 48 132.718 -3.612 9.201 1.00 0.00 C ATOM 789 CE2 TYR A 48 130.878 -4.516 7.905 1.00 0.00 C ATOM 790 CZ TYR A 48 131.431 -4.159 9.142 1.00 0.00 C ATOM 791 OH TYR A 48 130.708 -4.346 10.302 1.00 0.00 O ATOM 0 H TYR A 48 131.497 -2.797 4.845 1.00 0.00 H new ATOM 0 HA TYR A 48 133.725 -1.425 5.829 1.00 0.00 H new ATOM 0 HB2 TYR A 48 133.347 -4.277 4.753 1.00 0.00 H new ATOM 0 HB3 TYR A 48 134.743 -3.798 5.698 1.00 0.00 H new ATOM 0 HD1 TYR A 48 134.445 -3.001 8.069 1.00 0.00 H new ATOM 0 HD2 TYR A 48 131.190 -4.604 5.776 1.00 0.00 H new ATOM 0 HE1 TYR A 48 133.145 -3.336 10.154 1.00 0.00 H new ATOM 0 HE2 TYR A 48 129.884 -4.937 7.858 1.00 0.00 H new ATOM 0 HH TYR A 48 129.767 -4.124 10.140 1.00 0.00 H new ATOM 801 N ASN A 49 134.246 -2.419 2.745 1.00 0.00 N ATOM 802 CA ASN A 49 135.137 -2.181 1.571 1.00 0.00 C ATOM 803 C ASN A 49 134.919 -0.782 1.013 1.00 0.00 C ATOM 804 O ASN A 49 134.097 -0.566 0.148 1.00 0.00 O ATOM 805 CB ASN A 49 134.739 -3.239 0.544 1.00 0.00 C ATOM 806 CG ASN A 49 135.988 -3.983 0.066 1.00 0.00 C ATOM 807 OD1 ASN A 49 137.076 -3.743 0.552 1.00 0.00 O ATOM 808 ND2 ASN A 49 135.879 -4.883 -0.872 1.00 0.00 N ATOM 0 H ASN A 49 133.457 -3.041 2.568 1.00 0.00 H new ATOM 0 HA ASN A 49 136.192 -2.252 1.837 1.00 0.00 H new ATOM 0 HB2 ASN A 49 134.031 -3.941 0.985 1.00 0.00 H new ATOM 0 HB3 ASN A 49 134.237 -2.769 -0.302 1.00 0.00 H new ATOM 0 HD21 ASN A 49 136.706 -5.384 -1.197 1.00 0.00 H new ATOM 0 HD22 ASN A 49 134.967 -5.086 -1.281 1.00 0.00 H new ATOM 815 N VAL A 50 135.694 0.143 1.509 1.00 0.00 N ATOM 816 CA VAL A 50 135.653 1.566 1.056 1.00 0.00 C ATOM 817 C VAL A 50 134.825 1.757 -0.223 1.00 0.00 C ATOM 818 O VAL A 50 133.889 2.532 -0.252 1.00 0.00 O ATOM 819 CB VAL A 50 137.128 1.914 0.799 1.00 0.00 C ATOM 820 CG1 VAL A 50 137.774 2.360 2.111 1.00 0.00 C ATOM 821 CG2 VAL A 50 137.892 0.685 0.256 1.00 0.00 C ATOM 0 H VAL A 50 136.382 -0.036 2.240 1.00 0.00 H new ATOM 0 HA VAL A 50 135.176 2.207 1.798 1.00 0.00 H new ATOM 0 HB VAL A 50 137.175 2.714 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 50 138.821 2.608 1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 50 137.252 3.237 2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 50 137.710 1.553 2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 50 138.934 0.953 0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 50 137.843 -0.125 0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 50 137.439 0.359 -0.680 1.00 0.00 H new ATOM 831 N VAL A 51 135.156 1.064 -1.278 1.00 0.00 N ATOM 832 CA VAL A 51 134.381 1.219 -2.543 1.00 0.00 C ATOM 833 C VAL A 51 132.944 0.754 -2.340 1.00 0.00 C ATOM 834 O VAL A 51 132.005 1.518 -2.440 1.00 0.00 O ATOM 835 CB VAL A 51 135.079 0.303 -3.557 1.00 0.00 C ATOM 836 CG1 VAL A 51 134.087 -0.135 -4.652 1.00 0.00 C ATOM 837 CG2 VAL A 51 136.245 1.058 -4.198 1.00 0.00 C ATOM 0 H VAL A 51 135.928 0.398 -1.320 1.00 0.00 H new ATOM 0 HA VAL A 51 134.348 2.257 -2.874 1.00 0.00 H new ATOM 0 HB VAL A 51 135.449 -0.583 -3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 51 134.595 -0.784 -5.365 1.00 0.00 H new ATOM 0 HG12 VAL A 51 133.257 -0.675 -4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 51 133.706 0.745 -5.171 1.00 0.00 H new ATOM 0 HG21 VAL A 51 136.744 0.411 -4.919 1.00 0.00 H new ATOM 0 HG22 VAL A 51 135.868 1.946 -4.706 1.00 0.00 H new ATOM 0 HG23 VAL A 51 136.954 1.356 -3.426 1.00 0.00 H new ATOM 847 N ALA A 52 132.781 -0.513 -2.100 1.00 0.00 N ATOM 848 CA ALA A 52 131.420 -1.076 -1.934 1.00 0.00 C ATOM 849 C ALA A 52 130.530 -0.112 -1.146 1.00 0.00 C ATOM 850 O ALA A 52 129.377 0.087 -1.469 1.00 0.00 O ATOM 851 CB ALA A 52 131.624 -2.373 -1.156 1.00 0.00 C ATOM 0 H ALA A 52 133.541 -1.188 -2.011 1.00 0.00 H new ATOM 0 HA ALA A 52 130.927 -1.244 -2.891 1.00 0.00 H new ATOM 0 HB1 ALA A 52 130.660 -2.854 -0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 52 132.270 -3.041 -1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 52 132.088 -2.152 -0.195 1.00 0.00 H new ATOM 857 N PHE A 53 131.059 0.481 -0.113 1.00 0.00 N ATOM 858 CA PHE A 53 130.252 1.429 0.704 1.00 0.00 C ATOM 859 C PHE A 53 129.806 2.627 -0.145 1.00 0.00 C ATOM 860 O PHE A 53 128.632 2.911 -0.265 1.00 0.00 O ATOM 861 CB PHE A 53 131.200 1.877 1.819 1.00 0.00 C ATOM 862 CG PHE A 53 130.701 3.162 2.424 1.00 0.00 C ATOM 863 CD1 PHE A 53 129.369 3.269 2.832 1.00 0.00 C ATOM 864 CD2 PHE A 53 131.571 4.246 2.573 1.00 0.00 C ATOM 865 CE1 PHE A 53 128.904 4.462 3.392 1.00 0.00 C ATOM 866 CE2 PHE A 53 131.108 5.442 3.134 1.00 0.00 C ATOM 867 CZ PHE A 53 129.773 5.550 3.543 1.00 0.00 C ATOM 0 H PHE A 53 132.020 0.349 0.202 1.00 0.00 H new ATOM 0 HA PHE A 53 129.342 0.973 1.094 1.00 0.00 H new ATOM 0 HB2 PHE A 53 131.266 1.105 2.585 1.00 0.00 H new ATOM 0 HB3 PHE A 53 132.205 2.018 1.421 1.00 0.00 H new ATOM 0 HD1 PHE A 53 128.699 2.430 2.715 1.00 0.00 H new ATOM 0 HD2 PHE A 53 132.600 4.161 2.255 1.00 0.00 H new ATOM 0 HE1 PHE A 53 127.875 4.545 3.708 1.00 0.00 H new ATOM 0 HE2 PHE A 53 131.779 6.280 3.251 1.00 0.00 H new ATOM 0 HZ PHE A 53 129.414 6.472 3.975 1.00 0.00 H new ATOM 877 N SER A 54 130.736 3.337 -0.723 1.00 0.00 N ATOM 878 CA SER A 54 130.361 4.521 -1.551 1.00 0.00 C ATOM 879 C SER A 54 129.368 4.116 -2.643 1.00 0.00 C ATOM 880 O SER A 54 128.606 4.926 -3.133 1.00 0.00 O ATOM 881 CB SER A 54 131.673 4.999 -2.172 1.00 0.00 C ATOM 882 OG SER A 54 131.657 6.417 -2.270 1.00 0.00 O ATOM 0 H SER A 54 131.737 3.150 -0.659 1.00 0.00 H new ATOM 0 HA SER A 54 129.879 5.300 -0.960 1.00 0.00 H new ATOM 0 HB2 SER A 54 132.517 4.675 -1.563 1.00 0.00 H new ATOM 0 HB3 SER A 54 131.804 4.556 -3.159 1.00 0.00 H new ATOM 0 HG SER A 54 132.498 6.727 -2.666 1.00 0.00 H new ATOM 888 N GLU A 55 129.372 2.871 -3.030 1.00 0.00 N ATOM 889 CA GLU A 55 128.430 2.418 -4.092 1.00 0.00 C ATOM 890 C GLU A 55 127.095 1.991 -3.471 1.00 0.00 C ATOM 891 O GLU A 55 126.062 2.018 -4.111 1.00 0.00 O ATOM 892 CB GLU A 55 129.128 1.225 -4.751 1.00 0.00 C ATOM 893 CG GLU A 55 130.586 1.585 -5.057 1.00 0.00 C ATOM 894 CD GLU A 55 130.800 1.607 -6.572 1.00 0.00 C ATOM 895 OE1 GLU A 55 130.300 0.713 -7.234 1.00 0.00 O ATOM 896 OE2 GLU A 55 131.462 2.516 -7.043 1.00 0.00 O ATOM 0 H GLU A 55 129.987 2.147 -2.657 1.00 0.00 H new ATOM 0 HA GLU A 55 128.203 3.206 -4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 55 129.088 0.358 -4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 55 128.610 0.951 -5.670 1.00 0.00 H new ATOM 0 HG2 GLU A 55 130.828 2.559 -4.631 1.00 0.00 H new ATOM 0 HG3 GLU A 55 131.255 0.859 -4.595 1.00 0.00 H new ATOM 903 N ILE A 56 127.113 1.599 -2.227 1.00 0.00 N ATOM 904 CA ILE A 56 125.851 1.168 -1.558 1.00 0.00 C ATOM 905 C ILE A 56 124.982 2.383 -1.223 1.00 0.00 C ATOM 906 O ILE A 56 123.945 2.600 -1.818 1.00 0.00 O ATOM 907 CB ILE A 56 126.307 0.464 -0.278 1.00 0.00 C ATOM 908 CG1 ILE A 56 126.844 -0.925 -0.626 1.00 0.00 C ATOM 909 CG2 ILE A 56 125.125 0.326 0.683 1.00 0.00 C ATOM 910 CD1 ILE A 56 127.854 -1.360 0.437 1.00 0.00 C ATOM 0 H ILE A 56 127.948 1.558 -1.643 1.00 0.00 H new ATOM 0 HA ILE A 56 125.249 0.517 -2.192 1.00 0.00 H new ATOM 0 HB ILE A 56 127.092 1.052 0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 56 126.024 -1.641 -0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 56 127.317 -0.909 -1.608 1.00 0.00 H new ATOM 0 HG21 ILE A 56 125.453 -0.176 1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 56 124.741 1.315 0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 56 124.337 -0.260 0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 56 128.238 -2.350 0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 56 128.679 -0.648 0.468 1.00 0.00 H new ATOM 0 HD13 ILE A 56 127.366 -1.392 1.411 1.00 0.00 H new ATOM 922 N MET A 57 125.397 3.178 -0.275 1.00 0.00 N ATOM 923 CA MET A 57 124.592 4.379 0.095 1.00 0.00 C ATOM 924 C MET A 57 124.146 5.121 -1.165 1.00 0.00 C ATOM 925 O MET A 57 123.046 5.629 -1.240 1.00 0.00 O ATOM 926 CB MET A 57 125.536 5.248 0.926 1.00 0.00 C ATOM 927 CG MET A 57 125.780 4.584 2.283 1.00 0.00 C ATOM 928 SD MET A 57 125.725 5.840 3.586 1.00 0.00 S ATOM 929 CE MET A 57 124.005 6.347 3.341 1.00 0.00 C ATOM 0 H MET A 57 126.257 3.049 0.259 1.00 0.00 H new ATOM 0 HA MET A 57 123.689 4.119 0.647 1.00 0.00 H new ATOM 0 HB2 MET A 57 126.481 5.383 0.400 1.00 0.00 H new ATOM 0 HB3 MET A 57 125.105 6.239 1.067 1.00 0.00 H new ATOM 0 HG2 MET A 57 125.025 3.820 2.467 1.00 0.00 H new ATOM 0 HG3 MET A 57 126.748 4.083 2.286 1.00 0.00 H new ATOM 0 HE1 MET A 57 123.641 6.846 4.239 1.00 0.00 H new ATOM 0 HE2 MET A 57 123.945 7.032 2.495 1.00 0.00 H new ATOM 0 HE3 MET A 57 123.392 5.468 3.141 1.00 0.00 H new ATOM 939 N SER A 58 124.990 5.186 -2.159 1.00 0.00 N ATOM 940 CA SER A 58 124.605 5.893 -3.413 1.00 0.00 C ATOM 941 C SER A 58 123.278 5.341 -3.934 1.00 0.00 C ATOM 942 O SER A 58 122.308 6.060 -4.074 1.00 0.00 O ATOM 943 CB SER A 58 125.735 5.600 -4.399 1.00 0.00 C ATOM 944 OG SER A 58 125.921 6.727 -5.247 1.00 0.00 O ATOM 0 H SER A 58 125.926 4.781 -2.157 1.00 0.00 H new ATOM 0 HA SER A 58 124.470 6.964 -3.262 1.00 0.00 H new ATOM 0 HB2 SER A 58 126.656 5.380 -3.860 1.00 0.00 H new ATOM 0 HB3 SER A 58 125.495 4.718 -4.993 1.00 0.00 H new ATOM 0 HG SER A 58 126.646 6.544 -5.880 1.00 0.00 H new ATOM 950 N MET A 59 123.221 4.068 -4.213 1.00 0.00 N ATOM 951 CA MET A 59 121.949 3.477 -4.715 1.00 0.00 C ATOM 952 C MET A 59 120.846 3.668 -3.669 1.00 0.00 C ATOM 953 O MET A 59 119.677 3.749 -3.989 1.00 0.00 O ATOM 954 CB MET A 59 122.251 1.992 -4.916 1.00 0.00 C ATOM 955 CG MET A 59 122.304 1.681 -6.413 1.00 0.00 C ATOM 956 SD MET A 59 123.769 2.456 -7.140 1.00 0.00 S ATOM 957 CE MET A 59 123.671 1.653 -8.759 1.00 0.00 C ATOM 0 H MET A 59 123.997 3.414 -4.116 1.00 0.00 H new ATOM 0 HA MET A 59 121.605 3.944 -5.638 1.00 0.00 H new ATOM 0 HB2 MET A 59 123.201 1.736 -4.447 1.00 0.00 H new ATOM 0 HB3 MET A 59 121.484 1.385 -4.434 1.00 0.00 H new ATOM 0 HG2 MET A 59 122.334 0.603 -6.570 1.00 0.00 H new ATOM 0 HG3 MET A 59 121.403 2.050 -6.904 1.00 0.00 H new ATOM 0 HE1 MET A 59 124.497 1.993 -9.384 1.00 0.00 H new ATOM 0 HE2 MET A 59 123.732 0.572 -8.633 1.00 0.00 H new ATOM 0 HE3 MET A 59 122.725 1.910 -9.236 1.00 0.00 H new ATOM 967 N ILE A 60 121.217 3.747 -2.419 1.00 0.00 N ATOM 968 CA ILE A 60 120.201 3.943 -1.348 1.00 0.00 C ATOM 969 C ILE A 60 119.598 5.350 -1.458 1.00 0.00 C ATOM 970 O ILE A 60 118.460 5.579 -1.099 1.00 0.00 O ATOM 971 CB ILE A 60 120.983 3.747 -0.034 1.00 0.00 C ATOM 972 CG1 ILE A 60 120.693 2.350 0.519 1.00 0.00 C ATOM 973 CG2 ILE A 60 120.571 4.791 1.008 1.00 0.00 C ATOM 974 CD1 ILE A 60 121.995 1.554 0.619 1.00 0.00 C ATOM 0 H ILE A 60 122.182 3.684 -2.094 1.00 0.00 H new ATOM 0 HA ILE A 60 119.362 3.250 -1.413 1.00 0.00 H new ATOM 0 HB ILE A 60 122.047 3.862 -0.243 1.00 0.00 H new ATOM 0 HG12 ILE A 60 120.226 2.427 1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 60 119.987 1.831 -0.130 1.00 0.00 H new ATOM 0 HG21 ILE A 60 121.137 4.632 1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 60 120.777 5.790 0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 60 119.506 4.696 1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 60 121.784 0.560 1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 60 122.444 1.464 -0.370 1.00 0.00 H new ATOM 0 HD13 ILE A 60 122.686 2.070 1.286 1.00 0.00 H new ATOM 986 N TRP A 61 120.352 6.292 -1.958 1.00 0.00 N ATOM 987 CA TRP A 61 119.822 7.678 -2.096 1.00 0.00 C ATOM 988 C TRP A 61 118.925 7.781 -3.332 1.00 0.00 C ATOM 989 O TRP A 61 117.920 8.464 -3.328 1.00 0.00 O ATOM 990 CB TRP A 61 121.061 8.561 -2.257 1.00 0.00 C ATOM 991 CG TRP A 61 121.820 8.590 -0.970 1.00 0.00 C ATOM 992 CD1 TRP A 61 123.141 8.326 -0.840 1.00 0.00 C ATOM 993 CD2 TRP A 61 121.330 8.893 0.367 1.00 0.00 C ATOM 994 NE1 TRP A 61 123.491 8.447 0.492 1.00 0.00 N ATOM 995 CE2 TRP A 61 122.409 8.795 1.276 1.00 0.00 C ATOM 996 CE3 TRP A 61 120.064 9.241 0.873 1.00 0.00 C ATOM 997 CZ2 TRP A 61 122.238 9.032 2.641 1.00 0.00 C ATOM 998 CZ3 TRP A 61 119.889 9.479 2.245 1.00 0.00 C ATOM 999 CH2 TRP A 61 120.975 9.375 3.128 1.00 0.00 C ATOM 0 H TRP A 61 121.312 6.161 -2.277 1.00 0.00 H new ATOM 0 HA TRP A 61 119.217 7.976 -1.240 1.00 0.00 H new ATOM 0 HB2 TRP A 61 121.694 8.176 -3.057 1.00 0.00 H new ATOM 0 HB3 TRP A 61 120.767 9.571 -2.541 1.00 0.00 H new ATOM 0 HD1 TRP A 61 123.812 8.064 -1.645 1.00 0.00 H new ATOM 0 HE1 TRP A 61 124.434 8.297 0.852 1.00 0.00 H new ATOM 0 HE3 TRP A 61 119.222 9.325 0.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 123.077 8.951 3.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 118.913 9.744 2.624 1.00 0.00 H new ATOM 0 HH2 TRP A 61 120.834 9.560 4.183 1.00 0.00 H new ATOM 1010 N LYS A 62 119.279 7.103 -4.390 1.00 0.00 N ATOM 1011 CA LYS A 62 118.447 7.159 -5.626 1.00 0.00 C ATOM 1012 C LYS A 62 117.054 6.587 -5.355 1.00 0.00 C ATOM 1013 O LYS A 62 116.052 7.243 -5.559 1.00 0.00 O ATOM 1014 CB LYS A 62 119.193 6.293 -6.642 1.00 0.00 C ATOM 1015 CG LYS A 62 120.571 6.898 -6.917 1.00 0.00 C ATOM 1016 CD LYS A 62 121.554 5.783 -7.285 1.00 0.00 C ATOM 1017 CE LYS A 62 122.338 6.186 -8.536 1.00 0.00 C ATOM 1018 NZ LYS A 62 123.768 5.965 -8.181 1.00 0.00 N ATOM 0 H LYS A 62 120.108 6.513 -4.452 1.00 0.00 H new ATOM 0 HA LYS A 62 118.306 8.179 -5.983 1.00 0.00 H new ATOM 0 HB2 LYS A 62 119.300 5.277 -6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 62 118.622 6.227 -7.568 1.00 0.00 H new ATOM 0 HG2 LYS A 62 120.506 7.623 -7.729 1.00 0.00 H new ATOM 0 HG3 LYS A 62 120.926 7.435 -6.038 1.00 0.00 H new ATOM 0 HD2 LYS A 62 122.239 5.600 -6.457 1.00 0.00 H new ATOM 0 HD3 LYS A 62 121.015 4.853 -7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 62 122.047 5.583 -9.396 1.00 0.00 H new ATOM 0 HE3 LYS A 62 122.153 7.227 -8.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 124.364 6.138 -9.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 124.041 6.618 -7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 123.898 4.984 -7.860 1.00 0.00 H new ATOM 1032 N ARG A 63 116.982 5.366 -4.896 1.00 0.00 N ATOM 1033 CA ARG A 63 115.653 4.753 -4.613 1.00 0.00 C ATOM 1034 C ARG A 63 114.950 5.510 -3.483 1.00 0.00 C ATOM 1035 O ARG A 63 113.739 5.521 -3.390 1.00 0.00 O ATOM 1036 CB ARG A 63 115.963 3.318 -4.183 1.00 0.00 C ATOM 1037 CG ARG A 63 116.723 2.603 -5.302 1.00 0.00 C ATOM 1038 CD ARG A 63 115.899 1.413 -5.799 1.00 0.00 C ATOM 1039 NE ARG A 63 116.752 0.756 -6.827 1.00 0.00 N ATOM 1040 CZ ARG A 63 117.047 1.389 -7.930 1.00 0.00 C ATOM 1041 NH1 ARG A 63 116.095 1.827 -8.707 1.00 0.00 N ATOM 1042 NH2 ARG A 63 118.297 1.582 -8.257 1.00 0.00 N ATOM 0 H ARG A 63 117.786 4.768 -4.705 1.00 0.00 H new ATOM 0 HA ARG A 63 114.991 4.787 -5.478 1.00 0.00 H new ATOM 0 HB2 ARG A 63 116.558 3.321 -3.269 1.00 0.00 H new ATOM 0 HB3 ARG A 63 115.038 2.786 -3.960 1.00 0.00 H new ATOM 0 HG2 ARG A 63 116.917 3.293 -6.123 1.00 0.00 H new ATOM 0 HG3 ARG A 63 117.692 2.261 -4.937 1.00 0.00 H new ATOM 0 HD2 ARG A 63 115.664 0.728 -4.984 1.00 0.00 H new ATOM 0 HD3 ARG A 63 114.950 1.740 -6.224 1.00 0.00 H new ATOM 0 HE ARG A 63 117.106 -0.188 -6.670 1.00 0.00 H new ATOM 0 HH11 ARG A 63 115.119 1.675 -8.453 1.00 0.00 H new ATOM 0 HH12 ARG A 63 116.327 2.321 -9.569 1.00 0.00 H new ATOM 0 HH21 ARG A 63 119.042 1.238 -7.651 1.00 0.00 H new ATOM 0 HH22 ARG A 63 118.528 2.076 -9.119 1.00 0.00 H new ATOM 1056 N LEU A 64 115.701 6.140 -2.623 1.00 0.00 N ATOM 1057 CA LEU A 64 115.077 6.895 -1.498 1.00 0.00 C ATOM 1058 C LEU A 64 114.250 8.061 -2.035 1.00 0.00 C ATOM 1059 O LEU A 64 113.451 8.643 -1.330 1.00 0.00 O ATOM 1060 CB LEU A 64 116.250 7.425 -0.680 1.00 0.00 C ATOM 1061 CG LEU A 64 116.538 6.477 0.481 1.00 0.00 C ATOM 1062 CD1 LEU A 64 117.778 6.961 1.235 1.00 0.00 C ATOM 1063 CD2 LEU A 64 115.338 6.453 1.431 1.00 0.00 C ATOM 0 H LEU A 64 116.720 6.165 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 64 114.408 6.268 -0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 64 117.133 7.520 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 64 116.021 8.421 -0.301 1.00 0.00 H new ATOM 0 HG LEU A 64 116.715 5.472 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 64 117.986 6.286 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 64 118.632 6.978 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.601 7.965 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 64 115.544 5.776 2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 64 115.160 7.456 1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 64 114.455 6.109 0.893 1.00 0.00 H new ATOM 1075 N ASN A 65 114.444 8.417 -3.272 1.00 0.00 N ATOM 1076 CA ASN A 65 113.677 9.552 -3.840 1.00 0.00 C ATOM 1077 C ASN A 65 112.680 9.050 -4.886 1.00 0.00 C ATOM 1078 O ASN A 65 112.503 9.650 -5.926 1.00 0.00 O ATOM 1079 CB ASN A 65 114.727 10.457 -4.485 1.00 0.00 C ATOM 1080 CG ASN A 65 115.068 11.605 -3.533 1.00 0.00 C ATOM 1081 OD1 ASN A 65 116.030 11.532 -2.794 1.00 0.00 O ATOM 1082 ND2 ASN A 65 114.315 12.671 -3.520 1.00 0.00 N ATOM 0 H ASN A 65 115.100 7.970 -3.912 1.00 0.00 H new ATOM 0 HA ASN A 65 113.097 10.078 -3.082 1.00 0.00 H new ATOM 0 HB2 ASN A 65 115.625 9.883 -4.715 1.00 0.00 H new ATOM 0 HB3 ASN A 65 114.351 10.853 -5.428 1.00 0.00 H new ATOM 0 HD21 ASN A 65 114.534 13.442 -2.890 1.00 0.00 H new ATOM 0 HD22 ASN A 65 113.508 12.733 -4.140 1.00 0.00 H new ATOM 1161 N TRP A 71 106.332 4.774 -3.375 1.00 0.00 N ATOM 1162 CA TRP A 71 107.229 5.115 -2.233 1.00 0.00 C ATOM 1163 C TRP A 71 107.692 3.837 -1.529 1.00 0.00 C ATOM 1164 O TRP A 71 108.637 3.844 -0.766 1.00 0.00 O ATOM 1165 CB TRP A 71 106.372 5.965 -1.295 1.00 0.00 C ATOM 1166 CG TRP A 71 105.118 5.226 -0.956 1.00 0.00 C ATOM 1167 CD1 TRP A 71 103.887 5.526 -1.431 1.00 0.00 C ATOM 1168 CD2 TRP A 71 104.949 4.073 -0.082 1.00 0.00 C ATOM 1169 NE1 TRP A 71 102.974 4.630 -0.904 1.00 0.00 N ATOM 1170 CE2 TRP A 71 103.580 3.716 -0.066 1.00 0.00 C ATOM 1171 CE3 TRP A 71 105.842 3.310 0.692 1.00 0.00 C ATOM 1172 CZ2 TRP A 71 103.114 2.640 0.690 1.00 0.00 C ATOM 1173 CZ3 TRP A 71 105.376 2.226 1.454 1.00 0.00 C ATOM 1174 CH2 TRP A 71 104.015 1.892 1.453 1.00 0.00 C ATOM 0 HA TRP A 71 108.126 5.645 -2.554 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.928 6.195 -0.386 1.00 0.00 H new ATOM 0 HB3 TRP A 71 106.129 6.916 -1.769 1.00 0.00 H new ATOM 0 HD1 TRP A 71 103.655 6.333 -2.110 1.00 0.00 H new ATOM 0 HE1 TRP A 71 101.975 4.643 -1.110 1.00 0.00 H new ATOM 0 HE3 TRP A 71 106.893 3.559 0.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 102.064 2.387 0.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 106.071 1.647 2.044 1.00 0.00 H new ATOM 0 HH2 TRP A 71 103.663 1.058 2.041 1.00 0.00 H new ATOM 1185 N ARG A 72 107.033 2.738 -1.782 1.00 0.00 N ATOM 1186 CA ARG A 72 107.437 1.459 -1.129 1.00 0.00 C ATOM 1187 C ARG A 72 108.960 1.313 -1.156 1.00 0.00 C ATOM 1188 O ARG A 72 109.574 0.927 -0.181 1.00 0.00 O ATOM 1189 CB ARG A 72 106.777 0.362 -1.964 1.00 0.00 C ATOM 1190 CG ARG A 72 106.747 -0.942 -1.164 1.00 0.00 C ATOM 1191 CD ARG A 72 106.076 -0.696 0.190 1.00 0.00 C ATOM 1192 NE ARG A 72 105.751 -2.053 0.709 1.00 0.00 N ATOM 1193 CZ ARG A 72 104.511 -2.380 0.950 1.00 0.00 C ATOM 1194 NH1 ARG A 72 103.588 -2.142 0.058 1.00 0.00 N ATOM 1195 NH2 ARG A 72 104.193 -2.940 2.084 1.00 0.00 N ATOM 0 H ARG A 72 106.233 2.670 -2.412 1.00 0.00 H new ATOM 0 HA ARG A 72 107.132 1.413 -0.084 1.00 0.00 H new ATOM 0 HB2 ARG A 72 105.764 0.657 -2.236 1.00 0.00 H new ATOM 0 HB3 ARG A 72 107.327 0.218 -2.894 1.00 0.00 H new ATOM 0 HG2 ARG A 72 106.203 -1.708 -1.717 1.00 0.00 H new ATOM 0 HG3 ARG A 72 107.761 -1.314 -1.017 1.00 0.00 H new ATOM 0 HD2 ARG A 72 106.741 -0.162 0.869 1.00 0.00 H new ATOM 0 HD3 ARG A 72 105.177 -0.089 0.081 1.00 0.00 H new ATOM 0 HE ARG A 72 106.498 -2.727 0.876 1.00 0.00 H new ATOM 0 HH11 ARG A 72 103.836 -1.700 -0.827 1.00 0.00 H new ATOM 0 HH12 ARG A 72 102.619 -2.398 0.246 1.00 0.00 H new ATOM 0 HH21 ARG A 72 104.914 -3.122 2.783 1.00 0.00 H new ATOM 0 HH22 ARG A 72 103.224 -3.196 2.272 1.00 0.00 H new ATOM 1209 N HIS A 73 109.575 1.621 -2.265 1.00 0.00 N ATOM 1210 CA HIS A 73 111.058 1.501 -2.353 1.00 0.00 C ATOM 1211 C HIS A 73 111.719 2.345 -1.260 1.00 0.00 C ATOM 1212 O HIS A 73 112.605 1.891 -0.563 1.00 0.00 O ATOM 1213 CB HIS A 73 111.417 2.037 -3.740 1.00 0.00 C ATOM 1214 CG HIS A 73 110.757 1.188 -4.791 1.00 0.00 C ATOM 1215 ND1 HIS A 73 110.913 1.435 -6.146 1.00 0.00 N ATOM 1216 CD2 HIS A 73 109.935 0.092 -4.702 1.00 0.00 C ATOM 1217 CE1 HIS A 73 110.201 0.508 -6.811 1.00 0.00 C ATOM 1218 NE2 HIS A 73 109.586 -0.337 -5.978 1.00 0.00 N ATOM 0 H HIS A 73 109.115 1.950 -3.114 1.00 0.00 H new ATOM 0 HA HIS A 73 111.401 0.476 -2.213 1.00 0.00 H new ATOM 0 HB2 HIS A 73 111.092 3.073 -3.837 1.00 0.00 H new ATOM 0 HB3 HIS A 73 112.498 2.028 -3.876 1.00 0.00 H new ATOM 0 HD2 HIS A 73 109.609 -0.367 -3.781 1.00 0.00 H new ATOM 0 HE1 HIS A 73 110.134 0.453 -7.888 1.00 0.00 H new ATOM 0 HE2 HIS A 73 108.989 -1.126 -6.225 1.00 0.00 H new ATOM 1226 N VAL A 74 111.294 3.568 -1.104 1.00 0.00 N ATOM 1227 CA VAL A 74 111.897 4.437 -0.052 1.00 0.00 C ATOM 1228 C VAL A 74 111.876 3.714 1.297 1.00 0.00 C ATOM 1229 O VAL A 74 112.874 3.640 1.988 1.00 0.00 O ATOM 1230 CB VAL A 74 111.012 5.684 -0.010 1.00 0.00 C ATOM 1231 CG1 VAL A 74 111.402 6.551 1.190 1.00 0.00 C ATOM 1232 CG2 VAL A 74 111.198 6.487 -1.301 1.00 0.00 C ATOM 0 H VAL A 74 110.557 4.004 -1.658 1.00 0.00 H new ATOM 0 HA VAL A 74 112.936 4.687 -0.264 1.00 0.00 H new ATOM 0 HB VAL A 74 109.969 5.383 0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 74 110.770 7.439 1.218 1.00 0.00 H new ATOM 0 HG12 VAL A 74 111.268 5.981 2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 74 112.446 6.851 1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 74 110.567 7.375 -1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 74 112.242 6.786 -1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 74 110.917 5.872 -2.156 1.00 0.00 H new ATOM 1242 N TYR A 75 110.749 3.178 1.678 1.00 0.00 N ATOM 1243 CA TYR A 75 110.669 2.458 2.981 1.00 0.00 C ATOM 1244 C TYR A 75 111.791 1.422 3.074 1.00 0.00 C ATOM 1245 O TYR A 75 112.626 1.472 3.955 1.00 0.00 O ATOM 1246 CB TYR A 75 109.302 1.774 2.976 1.00 0.00 C ATOM 1247 CG TYR A 75 108.936 1.372 4.384 1.00 0.00 C ATOM 1248 CD1 TYR A 75 108.972 2.318 5.416 1.00 0.00 C ATOM 1249 CD2 TYR A 75 108.560 0.052 4.659 1.00 0.00 C ATOM 1250 CE1 TYR A 75 108.633 1.945 6.722 1.00 0.00 C ATOM 1251 CE2 TYR A 75 108.221 -0.323 5.965 1.00 0.00 C ATOM 1252 CZ TYR A 75 108.257 0.624 6.996 1.00 0.00 C ATOM 1253 OH TYR A 75 107.922 0.255 8.283 1.00 0.00 O ATOM 0 H TYR A 75 109.880 3.207 1.144 1.00 0.00 H new ATOM 0 HA TYR A 75 110.781 3.128 3.833 1.00 0.00 H new ATOM 0 HB2 TYR A 75 108.547 2.448 2.571 1.00 0.00 H new ATOM 0 HB3 TYR A 75 109.325 0.896 2.330 1.00 0.00 H new ATOM 0 HD1 TYR A 75 109.262 3.337 5.204 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.531 -0.678 3.863 1.00 0.00 H new ATOM 0 HE1 TYR A 75 108.661 2.675 7.517 1.00 0.00 H new ATOM 0 HE2 TYR A 75 107.932 -1.342 6.177 1.00 0.00 H new ATOM 0 HH TYR A 75 107.685 -0.696 8.299 1.00 0.00 H new ATOM 1263 N LYS A 76 111.820 0.485 2.166 1.00 0.00 N ATOM 1264 CA LYS A 76 112.893 -0.549 2.197 1.00 0.00 C ATOM 1265 C LYS A 76 114.264 0.129 2.271 1.00 0.00 C ATOM 1266 O LYS A 76 115.218 -0.427 2.778 1.00 0.00 O ATOM 1267 CB LYS A 76 112.744 -1.318 0.884 1.00 0.00 C ATOM 1268 CG LYS A 76 111.541 -2.258 0.975 1.00 0.00 C ATOM 1269 CD LYS A 76 111.905 -3.472 1.834 1.00 0.00 C ATOM 1270 CE LYS A 76 110.917 -4.609 1.556 1.00 0.00 C ATOM 1271 NZ LYS A 76 111.770 -5.791 1.246 1.00 0.00 N ATOM 0 H LYS A 76 111.148 0.391 1.405 1.00 0.00 H new ATOM 0 HA LYS A 76 112.812 -1.208 3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 76 112.613 -0.622 0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 76 113.650 -1.889 0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 76 110.689 -1.735 1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 76 111.242 -2.581 -0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 76 112.921 -3.797 1.612 1.00 0.00 H new ATOM 0 HD3 LYS A 76 111.880 -3.204 2.890 1.00 0.00 H new ATOM 0 HE2 LYS A 76 110.279 -4.798 2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 76 110.260 -4.366 0.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 111.165 -6.612 1.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 112.361 -5.584 0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 112.380 -6.003 2.061 1.00 0.00 H new ATOM 1285 N ALA A 77 114.365 1.329 1.769 1.00 0.00 N ATOM 1286 CA ALA A 77 115.669 2.051 1.809 1.00 0.00 C ATOM 1287 C ALA A 77 116.028 2.414 3.249 1.00 0.00 C ATOM 1288 O ALA A 77 117.092 2.091 3.738 1.00 0.00 O ATOM 1289 CB ALA A 77 115.448 3.315 0.976 1.00 0.00 C ATOM 0 H ALA A 77 113.599 1.842 1.332 1.00 0.00 H new ATOM 0 HA ALA A 77 116.488 1.445 1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 77 116.366 3.903 0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 77 115.174 3.037 -0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 77 114.647 3.907 1.419 1.00 0.00 H new ATOM 1295 N MET A 78 115.145 3.087 3.930 1.00 0.00 N ATOM 1296 CA MET A 78 115.427 3.478 5.341 1.00 0.00 C ATOM 1297 C MET A 78 115.973 2.283 6.125 1.00 0.00 C ATOM 1298 O MET A 78 116.850 2.422 6.953 1.00 0.00 O ATOM 1299 CB MET A 78 114.077 3.918 5.908 1.00 0.00 C ATOM 1300 CG MET A 78 113.895 5.419 5.686 1.00 0.00 C ATOM 1301 SD MET A 78 113.320 5.713 3.996 1.00 0.00 S ATOM 1302 CE MET A 78 111.558 5.865 4.379 1.00 0.00 C ATOM 0 H MET A 78 114.238 3.385 3.571 1.00 0.00 H new ATOM 0 HA MET A 78 116.175 4.268 5.407 1.00 0.00 H new ATOM 0 HB2 MET A 78 113.270 3.368 5.424 1.00 0.00 H new ATOM 0 HB3 MET A 78 114.025 3.688 6.972 1.00 0.00 H new ATOM 0 HG2 MET A 78 113.176 5.819 6.401 1.00 0.00 H new ATOM 0 HG3 MET A 78 114.837 5.940 5.857 1.00 0.00 H new ATOM 0 HE1 MET A 78 110.970 5.476 3.547 1.00 0.00 H new ATOM 0 HE2 MET A 78 111.331 5.296 5.281 1.00 0.00 H new ATOM 0 HE3 MET A 78 111.310 6.914 4.540 1.00 0.00 H new ATOM 1312 N THR A 79 115.461 1.109 5.874 1.00 0.00 N ATOM 1313 CA THR A 79 115.956 -0.087 6.613 1.00 0.00 C ATOM 1314 C THR A 79 117.400 -0.388 6.222 1.00 0.00 C ATOM 1315 O THR A 79 118.212 -0.750 7.048 1.00 0.00 O ATOM 1316 CB THR A 79 115.029 -1.231 6.201 1.00 0.00 C ATOM 1317 OG1 THR A 79 113.764 -1.060 6.826 1.00 0.00 O ATOM 1318 CG2 THR A 79 115.637 -2.566 6.630 1.00 0.00 C ATOM 0 H THR A 79 114.725 0.927 5.192 1.00 0.00 H new ATOM 0 HA THR A 79 115.948 0.064 7.692 1.00 0.00 H new ATOM 0 HB THR A 79 114.904 -1.226 5.118 1.00 0.00 H new ATOM 0 HG1 THR A 79 113.167 -1.791 6.562 1.00 0.00 H new ATOM 0 HG21 THR A 79 114.974 -3.379 6.335 1.00 0.00 H new ATOM 0 HG22 THR A 79 116.607 -2.696 6.149 1.00 0.00 H new ATOM 0 HG23 THR A 79 115.765 -2.577 7.712 1.00 0.00 H new ATOM 1326 N LEU A 80 117.732 -0.230 4.974 1.00 0.00 N ATOM 1327 CA LEU A 80 119.134 -0.492 4.547 1.00 0.00 C ATOM 1328 C LEU A 80 120.057 0.536 5.200 1.00 0.00 C ATOM 1329 O LEU A 80 120.895 0.204 6.010 1.00 0.00 O ATOM 1330 CB LEU A 80 119.131 -0.329 3.027 1.00 0.00 C ATOM 1331 CG LEU A 80 120.490 -0.752 2.468 1.00 0.00 C ATOM 1332 CD1 LEU A 80 120.884 -2.107 3.058 1.00 0.00 C ATOM 1333 CD2 LEU A 80 120.400 -0.864 0.944 1.00 0.00 C ATOM 0 H LEU A 80 117.098 0.068 4.233 1.00 0.00 H new ATOM 0 HA LEU A 80 119.486 -1.482 4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 80 118.340 -0.936 2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 80 118.923 0.708 2.762 1.00 0.00 H new ATOM 0 HG LEU A 80 121.241 -0.009 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 80 121.853 -2.409 2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 80 120.947 -2.027 4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 80 120.134 -2.852 2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 80 121.368 -1.165 0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 80 119.649 -1.608 0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 80 120.119 0.102 0.524 1.00 0.00 H new ATOM 1345 N MET A 81 119.899 1.786 4.863 1.00 0.00 N ATOM 1346 CA MET A 81 120.764 2.832 5.476 1.00 0.00 C ATOM 1347 C MET A 81 120.742 2.713 7.004 1.00 0.00 C ATOM 1348 O MET A 81 121.684 3.082 7.675 1.00 0.00 O ATOM 1349 CB MET A 81 120.170 4.170 5.024 1.00 0.00 C ATOM 1350 CG MET A 81 118.647 4.154 5.178 1.00 0.00 C ATOM 1351 SD MET A 81 117.884 4.713 3.636 1.00 0.00 S ATOM 1352 CE MET A 81 117.712 6.456 4.092 1.00 0.00 C ATOM 0 H MET A 81 119.211 2.127 4.192 1.00 0.00 H new ATOM 0 HA MET A 81 121.805 2.733 5.169 1.00 0.00 H new ATOM 0 HB2 MET A 81 120.594 4.982 5.615 1.00 0.00 H new ATOM 0 HB3 MET A 81 120.435 4.361 3.984 1.00 0.00 H new ATOM 0 HG2 MET A 81 118.305 3.148 5.422 1.00 0.00 H new ATOM 0 HG3 MET A 81 118.346 4.802 6.002 1.00 0.00 H new ATOM 0 HE1 MET A 81 116.739 6.823 3.765 1.00 0.00 H new ATOM 0 HE2 MET A 81 117.794 6.559 5.174 1.00 0.00 H new ATOM 0 HE3 MET A 81 118.499 7.037 3.612 1.00 0.00 H new ATOM 1362 N GLU A 82 119.678 2.194 7.563 1.00 0.00 N ATOM 1363 CA GLU A 82 119.616 2.051 9.046 1.00 0.00 C ATOM 1364 C GLU A 82 120.483 0.872 9.496 1.00 0.00 C ATOM 1365 O GLU A 82 121.099 0.901 10.543 1.00 0.00 O ATOM 1366 CB GLU A 82 118.143 1.777 9.356 1.00 0.00 C ATOM 1367 CG GLU A 82 117.981 1.466 10.844 1.00 0.00 C ATOM 1368 CD GLU A 82 117.810 -0.042 11.036 1.00 0.00 C ATOM 1369 OE1 GLU A 82 118.732 -0.770 10.704 1.00 0.00 O ATOM 1370 OE2 GLU A 82 116.762 -0.444 11.513 1.00 0.00 O ATOM 0 H GLU A 82 118.855 1.865 7.058 1.00 0.00 H new ATOM 0 HA GLU A 82 119.985 2.937 9.563 1.00 0.00 H new ATOM 0 HB2 GLU A 82 117.537 2.642 9.087 1.00 0.00 H new ATOM 0 HB3 GLU A 82 117.785 0.939 8.758 1.00 0.00 H new ATOM 0 HG2 GLU A 82 118.853 1.817 11.396 1.00 0.00 H new ATOM 0 HG3 GLU A 82 117.116 1.994 11.244 1.00 0.00 H new ATOM 1377 N TYR A 83 120.528 -0.167 8.710 1.00 0.00 N ATOM 1378 CA TYR A 83 121.343 -1.358 9.076 1.00 0.00 C ATOM 1379 C TYR A 83 122.831 -1.083 8.846 1.00 0.00 C ATOM 1380 O TYR A 83 123.637 -1.179 9.751 1.00 0.00 O ATOM 1381 CB TYR A 83 120.852 -2.459 8.138 1.00 0.00 C ATOM 1382 CG TYR A 83 121.308 -3.797 8.657 1.00 0.00 C ATOM 1383 CD1 TYR A 83 120.590 -4.430 9.676 1.00 0.00 C ATOM 1384 CD2 TYR A 83 122.449 -4.403 8.121 1.00 0.00 C ATOM 1385 CE1 TYR A 83 121.012 -5.674 10.160 1.00 0.00 C ATOM 1386 CE2 TYR A 83 122.873 -5.645 8.604 1.00 0.00 C ATOM 1387 CZ TYR A 83 122.155 -6.282 9.624 1.00 0.00 C ATOM 1388 OH TYR A 83 122.572 -7.508 10.100 1.00 0.00 O ATOM 0 H TYR A 83 120.031 -0.242 7.823 1.00 0.00 H new ATOM 0 HA TYR A 83 121.236 -1.627 10.127 1.00 0.00 H new ATOM 0 HB2 TYR A 83 119.764 -2.435 8.068 1.00 0.00 H new ATOM 0 HB3 TYR A 83 121.239 -2.295 7.132 1.00 0.00 H new ATOM 0 HD1 TYR A 83 119.710 -3.960 10.090 1.00 0.00 H new ATOM 0 HD2 TYR A 83 123.002 -3.912 7.334 1.00 0.00 H new ATOM 0 HE1 TYR A 83 120.457 -6.165 10.946 1.00 0.00 H new ATOM 0 HE2 TYR A 83 123.754 -6.113 8.190 1.00 0.00 H new ATOM 0 HH TYR A 83 123.379 -7.788 9.620 1.00 0.00 H new ATOM 1398 N LEU A 84 123.205 -0.750 7.641 1.00 0.00 N ATOM 1399 CA LEU A 84 124.644 -0.477 7.360 1.00 0.00 C ATOM 1400 C LEU A 84 125.219 0.443 8.441 1.00 0.00 C ATOM 1401 O LEU A 84 126.268 0.187 8.998 1.00 0.00 O ATOM 1402 CB LEU A 84 124.680 0.219 5.991 1.00 0.00 C ATOM 1403 CG LEU A 84 123.765 -0.498 4.987 1.00 0.00 C ATOM 1404 CD1 LEU A 84 124.188 -0.135 3.562 1.00 0.00 C ATOM 1405 CD2 LEU A 84 123.859 -2.016 5.170 1.00 0.00 C ATOM 0 H LEU A 84 122.579 -0.655 6.841 1.00 0.00 H new ATOM 0 HA LEU A 84 125.238 -1.391 7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 84 124.366 1.257 6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 84 125.702 0.233 5.612 1.00 0.00 H new ATOM 0 HG LEU A 84 122.737 -0.182 5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 84 123.539 -0.644 2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 84 124.107 0.943 3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 84 125.220 -0.445 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 84 123.205 -2.510 4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 84 124.887 -2.339 5.007 1.00 0.00 H new ATOM 0 HD23 LEU A 84 123.552 -2.280 6.182 1.00 0.00 H new ATOM 1417 N ILE A 85 124.539 1.514 8.744 1.00 0.00 N ATOM 1418 CA ILE A 85 125.048 2.450 9.790 1.00 0.00 C ATOM 1419 C ILE A 85 125.462 1.673 11.043 1.00 0.00 C ATOM 1420 O ILE A 85 126.486 1.939 11.638 1.00 0.00 O ATOM 1421 CB ILE A 85 123.871 3.375 10.102 1.00 0.00 C ATOM 1422 CG1 ILE A 85 123.667 4.351 8.941 1.00 0.00 C ATOM 1423 CG2 ILE A 85 124.165 4.160 11.380 1.00 0.00 C ATOM 1424 CD1 ILE A 85 122.346 5.099 9.130 1.00 0.00 C ATOM 0 H ILE A 85 123.654 1.783 8.314 1.00 0.00 H new ATOM 0 HA ILE A 85 125.925 3.003 9.454 1.00 0.00 H new ATOM 0 HB ILE A 85 122.968 2.780 10.240 1.00 0.00 H new ATOM 0 HG12 ILE A 85 124.495 5.059 8.897 1.00 0.00 H new ATOM 0 HG13 ILE A 85 123.659 3.810 7.995 1.00 0.00 H new ATOM 0 HG21 ILE A 85 123.326 4.820 11.603 1.00 0.00 H new ATOM 0 HG22 ILE A 85 124.311 3.466 12.208 1.00 0.00 H new ATOM 0 HG23 ILE A 85 125.068 4.755 11.242 1.00 0.00 H new ATOM 0 HD11 ILE A 85 122.200 5.794 8.303 1.00 0.00 H new ATOM 0 HD12 ILE A 85 121.523 4.384 9.153 1.00 0.00 H new ATOM 0 HD13 ILE A 85 122.372 5.652 10.069 1.00 0.00 H new ATOM 1436 N LYS A 86 124.671 0.718 11.450 1.00 0.00 N ATOM 1437 CA LYS A 86 125.018 -0.069 12.668 1.00 0.00 C ATOM 1438 C LYS A 86 126.137 -1.072 12.365 1.00 0.00 C ATOM 1439 O LYS A 86 127.283 -0.856 12.708 1.00 0.00 O ATOM 1440 CB LYS A 86 123.730 -0.802 13.044 1.00 0.00 C ATOM 1441 CG LYS A 86 124.043 -1.894 14.068 1.00 0.00 C ATOM 1442 CD LYS A 86 122.794 -2.179 14.905 1.00 0.00 C ATOM 1443 CE LYS A 86 122.642 -3.689 15.100 1.00 0.00 C ATOM 1444 NZ LYS A 86 122.873 -3.912 16.554 1.00 0.00 N ATOM 0 H LYS A 86 123.800 0.449 10.992 1.00 0.00 H new ATOM 0 HA LYS A 86 125.381 0.567 13.475 1.00 0.00 H new ATOM 0 HB2 LYS A 86 123.006 -0.099 13.456 1.00 0.00 H new ATOM 0 HB3 LYS A 86 123.277 -1.241 12.155 1.00 0.00 H new ATOM 0 HG2 LYS A 86 124.369 -2.802 13.560 1.00 0.00 H new ATOM 0 HG3 LYS A 86 124.863 -1.578 14.714 1.00 0.00 H new ATOM 0 HD2 LYS A 86 122.871 -1.683 15.872 1.00 0.00 H new ATOM 0 HD3 LYS A 86 121.911 -1.775 14.409 1.00 0.00 H new ATOM 0 HE2 LYS A 86 121.650 -4.028 14.801 1.00 0.00 H new ATOM 0 HE3 LYS A 86 123.363 -4.240 14.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 122.786 -4.926 16.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 123.827 -3.585 16.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 122.168 -3.380 17.103 1.00 0.00 H new ATOM 1458 N THR A 87 125.816 -2.169 11.736 1.00 0.00 N ATOM 1459 CA THR A 87 126.864 -3.185 11.426 1.00 0.00 C ATOM 1460 C THR A 87 127.568 -2.854 10.105 1.00 0.00 C ATOM 1461 O THR A 87 128.699 -3.236 9.885 1.00 0.00 O ATOM 1462 CB THR A 87 126.110 -4.511 11.314 1.00 0.00 C ATOM 1463 OG1 THR A 87 127.041 -5.585 11.330 1.00 0.00 O ATOM 1464 CG2 THR A 87 125.314 -4.542 10.009 1.00 0.00 C ATOM 0 H THR A 87 124.875 -2.407 11.423 1.00 0.00 H new ATOM 0 HA THR A 87 127.639 -3.216 12.192 1.00 0.00 H new ATOM 0 HB THR A 87 125.424 -4.611 12.155 1.00 0.00 H new ATOM 0 HG1 THR A 87 126.560 -6.436 11.260 1.00 0.00 H new ATOM 0 HG21 THR A 87 124.778 -5.488 9.932 1.00 0.00 H new ATOM 0 HG22 THR A 87 124.600 -3.718 9.999 1.00 0.00 H new ATOM 0 HG23 THR A 87 125.996 -4.442 9.164 1.00 0.00 H new ATOM 1472 N GLY A 88 126.910 -2.151 9.223 1.00 0.00 N ATOM 1473 CA GLY A 88 127.550 -1.804 7.920 1.00 0.00 C ATOM 1474 C GLY A 88 128.993 -1.360 8.159 1.00 0.00 C ATOM 1475 O GLY A 88 129.924 -2.119 7.978 1.00 0.00 O ATOM 0 H GLY A 88 125.959 -1.802 9.347 1.00 0.00 H new ATOM 0 HA2 GLY A 88 127.530 -2.666 7.253 1.00 0.00 H new ATOM 0 HA3 GLY A 88 126.990 -1.008 7.429 1.00 0.00 H new ATOM 1479 N SER A 89 129.189 -0.135 8.563 1.00 0.00 N ATOM 1480 CA SER A 89 130.575 0.355 8.812 1.00 0.00 C ATOM 1481 C SER A 89 130.537 1.743 9.456 1.00 0.00 C ATOM 1482 O SER A 89 129.541 2.437 9.402 1.00 0.00 O ATOM 1483 CB SER A 89 131.224 0.420 7.430 1.00 0.00 C ATOM 1484 OG SER A 89 132.618 0.656 7.578 1.00 0.00 O ATOM 0 H SER A 89 128.450 0.548 8.731 1.00 0.00 H new ATOM 0 HA SER A 89 131.128 -0.293 9.491 1.00 0.00 H new ATOM 0 HB2 SER A 89 131.056 -0.513 6.892 1.00 0.00 H new ATOM 0 HB3 SER A 89 130.769 1.215 6.839 1.00 0.00 H new ATOM 0 HG SER A 89 133.090 -0.201 7.642 1.00 0.00 H new ATOM 1490 N GLU A 90 131.616 2.154 10.067 1.00 0.00 N ATOM 1491 CA GLU A 90 131.639 3.496 10.715 1.00 0.00 C ATOM 1492 C GLU A 90 131.511 4.595 9.658 1.00 0.00 C ATOM 1493 O GLU A 90 131.027 5.677 9.929 1.00 0.00 O ATOM 1494 CB GLU A 90 132.996 3.577 11.413 1.00 0.00 C ATOM 1495 CG GLU A 90 132.983 2.692 12.661 1.00 0.00 C ATOM 1496 CD GLU A 90 134.028 3.198 13.658 1.00 0.00 C ATOM 1497 OE1 GLU A 90 134.427 4.344 13.536 1.00 0.00 O ATOM 1498 OE2 GLU A 90 134.409 2.430 14.527 1.00 0.00 O ATOM 0 H GLU A 90 132.481 1.619 10.145 1.00 0.00 H new ATOM 0 HA GLU A 90 130.814 3.631 11.414 1.00 0.00 H new ATOM 0 HB2 GLU A 90 133.786 3.255 10.734 1.00 0.00 H new ATOM 0 HB3 GLU A 90 133.214 4.609 11.688 1.00 0.00 H new ATOM 0 HG2 GLU A 90 131.993 2.704 13.118 1.00 0.00 H new ATOM 0 HG3 GLU A 90 133.196 1.658 12.389 1.00 0.00 H new ATOM 1505 N ARG A 91 131.935 4.327 8.454 1.00 0.00 N ATOM 1506 CA ARG A 91 131.830 5.360 7.384 1.00 0.00 C ATOM 1507 C ARG A 91 130.370 5.518 6.956 1.00 0.00 C ATOM 1508 O ARG A 91 129.922 6.600 6.631 1.00 0.00 O ATOM 1509 CB ARG A 91 132.677 4.830 6.228 1.00 0.00 C ATOM 1510 CG ARG A 91 132.107 3.496 5.742 1.00 0.00 C ATOM 1511 CD ARG A 91 133.238 2.641 5.166 1.00 0.00 C ATOM 1512 NE ARG A 91 134.230 2.521 6.271 1.00 0.00 N ATOM 1513 CZ ARG A 91 135.507 2.498 6.004 1.00 0.00 C ATOM 1514 NH1 ARG A 91 136.061 1.403 5.562 1.00 0.00 N ATOM 1515 NH2 ARG A 91 136.230 3.570 6.179 1.00 0.00 N ATOM 0 H ARG A 91 132.348 3.441 8.165 1.00 0.00 H new ATOM 0 HA ARG A 91 132.175 6.339 7.717 1.00 0.00 H new ATOM 0 HB2 ARG A 91 132.687 5.552 5.411 1.00 0.00 H new ATOM 0 HB3 ARG A 91 133.710 4.699 6.551 1.00 0.00 H new ATOM 0 HG2 ARG A 91 131.624 2.972 6.567 1.00 0.00 H new ATOM 0 HG3 ARG A 91 131.344 3.669 4.983 1.00 0.00 H new ATOM 0 HD2 ARG A 91 132.874 1.662 4.854 1.00 0.00 H new ATOM 0 HD3 ARG A 91 133.680 3.111 4.288 1.00 0.00 H new ATOM 0 HE ARG A 91 133.911 2.457 7.238 1.00 0.00 H new ATOM 0 HH11 ARG A 91 135.496 0.565 5.425 1.00 0.00 H new ATOM 0 HH12 ARG A 91 137.059 1.385 5.353 1.00 0.00 H new ATOM 0 HH21 ARG A 91 135.797 4.426 6.525 1.00 0.00 H new ATOM 0 HH22 ARG A 91 137.228 3.552 5.970 1.00 0.00 H new ATOM 1529 N VAL A 92 129.622 4.448 6.960 1.00 0.00 N ATOM 1530 CA VAL A 92 128.190 4.540 6.560 1.00 0.00 C ATOM 1531 C VAL A 92 127.458 5.534 7.465 1.00 0.00 C ATOM 1532 O VAL A 92 126.799 6.441 6.998 1.00 0.00 O ATOM 1533 CB VAL A 92 127.632 3.127 6.742 1.00 0.00 C ATOM 1534 CG1 VAL A 92 126.111 3.158 6.594 1.00 0.00 C ATOM 1535 CG2 VAL A 92 128.225 2.203 5.674 1.00 0.00 C ATOM 0 H VAL A 92 129.941 3.515 7.223 1.00 0.00 H new ATOM 0 HA VAL A 92 128.066 4.892 5.536 1.00 0.00 H new ATOM 0 HB VAL A 92 127.896 2.757 7.733 1.00 0.00 H new ATOM 0 HG11 VAL A 92 125.712 2.152 6.723 1.00 0.00 H new ATOM 0 HG12 VAL A 92 125.685 3.817 7.350 1.00 0.00 H new ATOM 0 HG13 VAL A 92 125.849 3.527 5.602 1.00 0.00 H new ATOM 0 HG21 VAL A 92 127.828 1.196 5.803 1.00 0.00 H new ATOM 0 HG22 VAL A 92 127.959 2.574 4.684 1.00 0.00 H new ATOM 0 HG23 VAL A 92 129.310 2.181 5.774 1.00 0.00 H new ATOM 1545 N SER A 93 127.574 5.378 8.756 1.00 0.00 N ATOM 1546 CA SER A 93 126.890 6.325 9.680 1.00 0.00 C ATOM 1547 C SER A 93 127.372 7.751 9.407 1.00 0.00 C ATOM 1548 O SER A 93 126.599 8.688 9.394 1.00 0.00 O ATOM 1549 CB SER A 93 127.296 5.879 11.084 1.00 0.00 C ATOM 1550 OG SER A 93 126.377 6.409 12.029 1.00 0.00 O ATOM 0 H SER A 93 128.111 4.638 9.209 1.00 0.00 H new ATOM 0 HA SER A 93 125.807 6.320 9.555 1.00 0.00 H new ATOM 0 HB2 SER A 93 127.309 4.791 11.143 1.00 0.00 H new ATOM 0 HB3 SER A 93 128.306 6.222 11.309 1.00 0.00 H new ATOM 0 HG SER A 93 126.186 5.734 12.713 1.00 0.00 H new ATOM 1556 N GLN A 94 128.647 7.922 9.182 1.00 0.00 N ATOM 1557 CA GLN A 94 129.175 9.286 8.902 1.00 0.00 C ATOM 1558 C GLN A 94 128.468 9.874 7.683 1.00 0.00 C ATOM 1559 O GLN A 94 128.131 11.041 7.648 1.00 0.00 O ATOM 1560 CB GLN A 94 130.665 9.089 8.619 1.00 0.00 C ATOM 1561 CG GLN A 94 131.405 8.822 9.931 1.00 0.00 C ATOM 1562 CD GLN A 94 131.766 10.153 10.593 1.00 0.00 C ATOM 1563 OE1 GLN A 94 130.972 10.720 11.316 1.00 0.00 O ATOM 1564 NE2 GLN A 94 132.941 10.678 10.375 1.00 0.00 N ATOM 0 H GLN A 94 129.344 7.177 9.180 1.00 0.00 H new ATOM 0 HA GLN A 94 129.012 9.974 9.731 1.00 0.00 H new ATOM 0 HB2 GLN A 94 130.808 8.254 7.933 1.00 0.00 H new ATOM 0 HB3 GLN A 94 131.074 9.975 8.133 1.00 0.00 H new ATOM 0 HG2 GLN A 94 130.780 8.229 10.599 1.00 0.00 H new ATOM 0 HG3 GLN A 94 132.308 8.242 9.740 1.00 0.00 H new ATOM 0 HE21 GLN A 94 133.608 10.202 9.768 1.00 0.00 H new ATOM 0 HE22 GLN A 94 133.192 11.565 10.812 1.00 0.00 H new ATOM 1573 N GLN A 95 128.232 9.071 6.685 1.00 0.00 N ATOM 1574 CA GLN A 95 127.535 9.583 5.473 1.00 0.00 C ATOM 1575 C GLN A 95 126.091 9.933 5.828 1.00 0.00 C ATOM 1576 O GLN A 95 125.556 10.927 5.384 1.00 0.00 O ATOM 1577 CB GLN A 95 127.581 8.433 4.465 1.00 0.00 C ATOM 1578 CG GLN A 95 126.929 8.878 3.154 1.00 0.00 C ATOM 1579 CD GLN A 95 127.931 9.696 2.336 1.00 0.00 C ATOM 1580 OE1 GLN A 95 127.604 10.755 1.837 1.00 0.00 O ATOM 1581 NE2 GLN A 95 129.145 9.246 2.176 1.00 0.00 N ATOM 0 H GLN A 95 128.491 8.085 6.655 1.00 0.00 H new ATOM 0 HA GLN A 95 127.999 10.483 5.070 1.00 0.00 H new ATOM 0 HB2 GLN A 95 128.613 8.133 4.287 1.00 0.00 H new ATOM 0 HB3 GLN A 95 127.061 7.563 4.866 1.00 0.00 H new ATOM 0 HG2 GLN A 95 126.603 8.008 2.584 1.00 0.00 H new ATOM 0 HG3 GLN A 95 126.040 9.474 3.362 1.00 0.00 H new ATOM 0 HE21 GLN A 95 129.419 8.357 2.595 1.00 0.00 H new ATOM 0 HE22 GLN A 95 129.820 9.783 1.632 1.00 0.00 H new ATOM 1590 N CYS A 96 125.461 9.133 6.644 1.00 0.00 N ATOM 1591 CA CYS A 96 124.061 9.442 7.037 1.00 0.00 C ATOM 1592 C CYS A 96 124.019 10.838 7.654 1.00 0.00 C ATOM 1593 O CYS A 96 123.049 11.559 7.532 1.00 0.00 O ATOM 1594 CB CYS A 96 123.690 8.379 8.072 1.00 0.00 C ATOM 1595 SG CYS A 96 121.900 8.109 8.045 1.00 0.00 S ATOM 0 H CYS A 96 125.854 8.285 7.052 1.00 0.00 H new ATOM 0 HA CYS A 96 123.369 9.430 6.195 1.00 0.00 H new ATOM 0 HB2 CYS A 96 124.212 7.447 7.855 1.00 0.00 H new ATOM 0 HB3 CYS A 96 124.006 8.698 9.065 1.00 0.00 H new ATOM 0 HG CYS A 96 121.294 9.240 7.840 1.00 0.00 H new ATOM 1601 N LYS A 97 125.080 11.226 8.310 1.00 0.00 N ATOM 1602 CA LYS A 97 125.123 12.579 8.928 1.00 0.00 C ATOM 1603 C LYS A 97 125.489 13.622 7.867 1.00 0.00 C ATOM 1604 O LYS A 97 125.160 14.786 7.988 1.00 0.00 O ATOM 1605 CB LYS A 97 126.211 12.490 9.998 1.00 0.00 C ATOM 1606 CG LYS A 97 126.065 13.659 10.976 1.00 0.00 C ATOM 1607 CD LYS A 97 126.989 14.799 10.548 1.00 0.00 C ATOM 1608 CE LYS A 97 127.560 15.486 11.790 1.00 0.00 C ATOM 1609 NZ LYS A 97 127.756 16.906 11.388 1.00 0.00 N ATOM 0 H LYS A 97 125.919 10.662 8.444 1.00 0.00 H new ATOM 0 HA LYS A 97 124.164 12.877 9.352 1.00 0.00 H new ATOM 0 HB2 LYS A 97 126.133 11.543 10.533 1.00 0.00 H new ATOM 0 HB3 LYS A 97 127.196 12.513 9.532 1.00 0.00 H new ATOM 0 HG2 LYS A 97 125.031 14.003 10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 97 126.313 13.335 11.987 1.00 0.00 H new ATOM 0 HD2 LYS A 97 127.798 14.412 9.929 1.00 0.00 H new ATOM 0 HD3 LYS A 97 126.439 15.519 9.941 1.00 0.00 H new ATOM 0 HE2 LYS A 97 126.876 15.406 12.635 1.00 0.00 H new ATOM 0 HE3 LYS A 97 128.501 15.029 12.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 128.146 17.443 12.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 128.417 16.952 10.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 126.843 17.317 11.108 1.00 0.00 H new ATOM 1623 N GLU A 98 126.165 13.213 6.825 1.00 0.00 N ATOM 1624 CA GLU A 98 126.546 14.177 5.756 1.00 0.00 C ATOM 1625 C GLU A 98 125.334 14.462 4.859 1.00 0.00 C ATOM 1626 O GLU A 98 125.257 15.480 4.201 1.00 0.00 O ATOM 1627 CB GLU A 98 127.679 13.484 4.978 1.00 0.00 C ATOM 1628 CG GLU A 98 127.111 12.630 3.838 1.00 0.00 C ATOM 1629 CD GLU A 98 127.242 13.390 2.516 1.00 0.00 C ATOM 1630 OE1 GLU A 98 128.348 13.795 2.197 1.00 0.00 O ATOM 1631 OE2 GLU A 98 126.236 13.552 1.846 1.00 0.00 O ATOM 0 H GLU A 98 126.469 12.252 6.670 1.00 0.00 H new ATOM 0 HA GLU A 98 126.873 15.140 6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 98 128.360 14.233 4.573 1.00 0.00 H new ATOM 0 HB3 GLU A 98 128.260 12.857 5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 98 127.645 11.682 3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 98 126.065 12.395 4.032 1.00 0.00 H new ATOM 1638 N ASN A 99 124.390 13.563 4.838 1.00 0.00 N ATOM 1639 CA ASN A 99 123.180 13.762 3.997 1.00 0.00 C ATOM 1640 C ASN A 99 121.924 13.473 4.820 1.00 0.00 C ATOM 1641 O ASN A 99 120.968 12.905 4.333 1.00 0.00 O ATOM 1642 CB ASN A 99 123.321 12.756 2.853 1.00 0.00 C ATOM 1643 CG ASN A 99 122.809 13.384 1.555 1.00 0.00 C ATOM 1644 OD1 ASN A 99 123.112 14.522 1.256 1.00 0.00 O ATOM 1645 ND2 ASN A 99 122.043 12.684 0.763 1.00 0.00 N ATOM 0 H ASN A 99 124.406 12.694 5.371 1.00 0.00 H new ATOM 0 HA ASN A 99 123.092 14.783 3.626 1.00 0.00 H new ATOM 0 HB2 ASN A 99 124.364 12.462 2.740 1.00 0.00 H new ATOM 0 HB3 ASN A 99 122.757 11.851 3.079 1.00 0.00 H new ATOM 0 HD21 ASN A 99 121.699 13.092 -0.106 1.00 0.00 H new ATOM 0 HD22 ASN A 99 121.788 11.729 1.013 1.00 0.00 H new ATOM 1652 N MET A 100 121.921 13.862 6.067 1.00 0.00 N ATOM 1653 CA MET A 100 120.726 13.610 6.922 1.00 0.00 C ATOM 1654 C MET A 100 119.505 14.313 6.330 1.00 0.00 C ATOM 1655 O MET A 100 118.396 13.822 6.402 1.00 0.00 O ATOM 1656 CB MET A 100 121.083 14.204 8.286 1.00 0.00 C ATOM 1657 CG MET A 100 120.780 13.181 9.382 1.00 0.00 C ATOM 1658 SD MET A 100 122.054 13.274 10.665 1.00 0.00 S ATOM 1659 CE MET A 100 120.975 13.808 12.016 1.00 0.00 C ATOM 0 H MET A 100 122.693 14.342 6.529 1.00 0.00 H new ATOM 0 HA MET A 100 120.480 12.551 6.994 1.00 0.00 H new ATOM 0 HB2 MET A 100 122.138 14.478 8.311 1.00 0.00 H new ATOM 0 HB3 MET A 100 120.513 15.117 8.458 1.00 0.00 H new ATOM 0 HG2 MET A 100 119.799 13.376 9.814 1.00 0.00 H new ATOM 0 HG3 MET A 100 120.748 12.177 8.958 1.00 0.00 H new ATOM 0 HE1 MET A 100 121.544 14.419 12.716 1.00 0.00 H new ATOM 0 HE2 MET A 100 120.149 14.393 11.612 1.00 0.00 H new ATOM 0 HE3 MET A 100 120.581 12.934 12.534 1.00 0.00 H new ATOM 1669 N TYR A 101 119.702 15.458 5.737 1.00 0.00 N ATOM 1670 CA TYR A 101 118.554 16.190 5.130 1.00 0.00 C ATOM 1671 C TYR A 101 117.860 15.297 4.100 1.00 0.00 C ATOM 1672 O TYR A 101 116.680 15.422 3.847 1.00 0.00 O ATOM 1673 CB TYR A 101 119.177 17.411 4.453 1.00 0.00 C ATOM 1674 CG TYR A 101 119.696 18.360 5.506 1.00 0.00 C ATOM 1675 CD1 TYR A 101 118.799 19.049 6.332 1.00 0.00 C ATOM 1676 CD2 TYR A 101 121.075 18.553 5.658 1.00 0.00 C ATOM 1677 CE1 TYR A 101 119.280 19.929 7.308 1.00 0.00 C ATOM 1678 CE2 TYR A 101 121.556 19.433 6.634 1.00 0.00 C ATOM 1679 CZ TYR A 101 120.658 20.122 7.459 1.00 0.00 C ATOM 1680 OH TYR A 101 121.133 20.991 8.420 1.00 0.00 O ATOM 0 H TYR A 101 120.608 15.919 5.646 1.00 0.00 H new ATOM 0 HA TYR A 101 117.803 16.477 5.866 1.00 0.00 H new ATOM 0 HB2 TYR A 101 119.989 17.101 3.796 1.00 0.00 H new ATOM 0 HB3 TYR A 101 118.436 17.912 3.830 1.00 0.00 H new ATOM 0 HD1 TYR A 101 117.736 18.901 6.216 1.00 0.00 H new ATOM 0 HD2 TYR A 101 121.768 18.022 5.022 1.00 0.00 H new ATOM 0 HE1 TYR A 101 118.588 20.459 7.945 1.00 0.00 H new ATOM 0 HE2 TYR A 101 122.619 19.581 6.751 1.00 0.00 H new ATOM 0 HH TYR A 101 122.112 21.007 8.391 1.00 0.00 H new ATOM 1690 N ALA A 102 118.592 14.393 3.507 1.00 0.00 N ATOM 1691 CA ALA A 102 117.986 13.481 2.496 1.00 0.00 C ATOM 1692 C ALA A 102 117.075 12.465 3.185 1.00 0.00 C ATOM 1693 O ALA A 102 115.988 12.176 2.727 1.00 0.00 O ATOM 1694 CB ALA A 102 119.176 12.778 1.841 1.00 0.00 C ATOM 0 H ALA A 102 119.587 14.247 3.680 1.00 0.00 H new ATOM 0 HA ALA A 102 117.374 14.013 1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 102 118.816 12.085 1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 102 119.827 13.520 1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 102 119.735 12.228 2.598 1.00 0.00 H new ATOM 1700 N VAL A 103 117.512 11.923 4.286 1.00 0.00 N ATOM 1701 CA VAL A 103 116.676 10.926 5.014 1.00 0.00 C ATOM 1702 C VAL A 103 115.448 11.608 5.621 1.00 0.00 C ATOM 1703 O VAL A 103 114.413 10.997 5.805 1.00 0.00 O ATOM 1704 CB VAL A 103 117.581 10.376 6.116 1.00 0.00 C ATOM 1705 CG1 VAL A 103 116.956 9.110 6.705 1.00 0.00 C ATOM 1706 CG2 VAL A 103 118.954 10.040 5.530 1.00 0.00 C ATOM 0 H VAL A 103 118.414 12.127 4.715 1.00 0.00 H new ATOM 0 HA VAL A 103 116.310 10.138 4.356 1.00 0.00 H new ATOM 0 HB VAL A 103 117.694 11.125 6.900 1.00 0.00 H new ATOM 0 HG11 VAL A 103 117.601 8.717 7.491 1.00 0.00 H new ATOM 0 HG12 VAL A 103 115.978 9.348 7.123 1.00 0.00 H new ATOM 0 HG13 VAL A 103 116.843 8.361 5.921 1.00 0.00 H new ATOM 0 HG21 VAL A 103 119.599 9.648 6.316 1.00 0.00 H new ATOM 0 HG22 VAL A 103 118.842 9.291 4.746 1.00 0.00 H new ATOM 0 HG23 VAL A 103 119.401 10.941 5.110 1.00 0.00 H new ATOM 1716 N GLN A 104 115.554 12.870 5.936 1.00 0.00 N ATOM 1717 CA GLN A 104 114.395 13.591 6.535 1.00 0.00 C ATOM 1718 C GLN A 104 113.533 14.223 5.438 1.00 0.00 C ATOM 1719 O GLN A 104 112.376 14.530 5.647 1.00 0.00 O ATOM 1720 CB GLN A 104 115.018 14.672 7.417 1.00 0.00 C ATOM 1721 CG GLN A 104 115.792 14.014 8.561 1.00 0.00 C ATOM 1722 CD GLN A 104 114.944 14.036 9.833 1.00 0.00 C ATOM 1723 OE1 GLN A 104 114.790 13.028 10.493 1.00 0.00 O ATOM 1724 NE2 GLN A 104 114.381 15.153 10.207 1.00 0.00 N ATOM 0 H GLN A 104 116.394 13.433 5.804 1.00 0.00 H new ATOM 0 HA GLN A 104 113.744 12.925 7.101 1.00 0.00 H new ATOM 0 HB2 GLN A 104 115.685 15.299 6.826 1.00 0.00 H new ATOM 0 HB3 GLN A 104 114.240 15.323 7.817 1.00 0.00 H new ATOM 0 HG2 GLN A 104 116.046 12.987 8.299 1.00 0.00 H new ATOM 0 HG3 GLN A 104 116.731 14.541 8.729 1.00 0.00 H new ATOM 0 HE21 GLN A 104 114.510 16.000 9.653 1.00 0.00 H new ATOM 0 HE22 GLN A 104 113.812 15.179 11.053 1.00 0.00 H new ATOM 1733 N THR A 105 114.085 14.422 4.273 1.00 0.00 N ATOM 1734 CA THR A 105 113.294 15.038 3.169 1.00 0.00 C ATOM 1735 C THR A 105 112.092 14.154 2.821 1.00 0.00 C ATOM 1736 O THR A 105 111.112 14.613 2.268 1.00 0.00 O ATOM 1737 CB THR A 105 114.261 15.125 1.986 1.00 0.00 C ATOM 1738 OG1 THR A 105 113.731 16.007 1.008 1.00 0.00 O ATOM 1739 CG2 THR A 105 114.453 13.736 1.373 1.00 0.00 C ATOM 0 H THR A 105 115.049 14.185 4.037 1.00 0.00 H new ATOM 0 HA THR A 105 112.898 16.016 3.441 1.00 0.00 H new ATOM 0 HB THR A 105 115.224 15.501 2.332 1.00 0.00 H new ATOM 0 HG1 THR A 105 114.350 16.065 0.250 1.00 0.00 H new ATOM 0 HG21 THR A 105 115.142 13.802 0.531 1.00 0.00 H new ATOM 0 HG22 THR A 105 114.862 13.060 2.124 1.00 0.00 H new ATOM 0 HG23 THR A 105 113.492 13.355 1.027 1.00 0.00 H new ATOM 1747 N LEU A 106 112.158 12.891 3.141 1.00 0.00 N ATOM 1748 CA LEU A 106 111.018 11.983 2.826 1.00 0.00 C ATOM 1749 C LEU A 106 109.756 12.445 3.559 1.00 0.00 C ATOM 1750 O LEU A 106 108.666 12.403 3.025 1.00 0.00 O ATOM 1751 CB LEU A 106 111.458 10.606 3.324 1.00 0.00 C ATOM 1752 CG LEU A 106 112.412 9.981 2.306 1.00 0.00 C ATOM 1753 CD1 LEU A 106 112.996 8.686 2.875 1.00 0.00 C ATOM 1754 CD2 LEU A 106 111.647 9.671 1.018 1.00 0.00 C ATOM 0 H LEU A 106 112.951 12.448 3.606 1.00 0.00 H new ATOM 0 HA LEU A 106 110.779 11.972 1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 106 111.950 10.697 4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 106 110.589 9.964 3.467 1.00 0.00 H new ATOM 0 HG LEU A 106 113.222 10.679 2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 106 113.676 8.243 2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 106 113.541 8.905 3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 106 112.188 7.986 3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 106 112.325 9.225 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 106 110.838 8.974 1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 106 111.232 10.593 0.610 1.00 0.00 H new ATOM 1766 N LYS A 107 109.895 12.889 4.778 1.00 0.00 N ATOM 1767 CA LYS A 107 108.702 13.355 5.541 1.00 0.00 C ATOM 1768 C LYS A 107 107.814 14.227 4.650 1.00 0.00 C ATOM 1769 O LYS A 107 106.608 14.263 4.799 1.00 0.00 O ATOM 1770 CB LYS A 107 109.269 14.176 6.701 1.00 0.00 C ATOM 1771 CG LYS A 107 108.139 14.957 7.376 1.00 0.00 C ATOM 1772 CD LYS A 107 108.344 16.456 7.142 1.00 0.00 C ATOM 1773 CE LYS A 107 109.511 16.952 7.998 1.00 0.00 C ATOM 1774 NZ LYS A 107 110.086 18.096 7.237 1.00 0.00 N ATOM 0 H LYS A 107 110.782 12.949 5.278 1.00 0.00 H new ATOM 0 HA LYS A 107 108.086 12.527 5.891 1.00 0.00 H new ATOM 0 HB2 LYS A 107 109.752 13.518 7.423 1.00 0.00 H new ATOM 0 HB3 LYS A 107 110.032 14.863 6.335 1.00 0.00 H new ATOM 0 HG2 LYS A 107 107.175 14.644 6.974 1.00 0.00 H new ATOM 0 HG3 LYS A 107 108.123 14.744 8.445 1.00 0.00 H new ATOM 0 HD2 LYS A 107 108.546 16.646 6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 107 107.435 17.002 7.396 1.00 0.00 H new ATOM 0 HE2 LYS A 107 109.172 17.265 8.985 1.00 0.00 H new ATOM 0 HE3 LYS A 107 110.251 16.167 8.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 110.893 18.491 7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 110.407 17.766 6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 109.360 18.831 7.114 1.00 0.00 H new ATOM 1987 N VAL A 121 102.789 7.311 4.888 1.00 0.00 N ATOM 1988 CA VAL A 121 103.452 7.717 6.159 1.00 0.00 C ATOM 1989 C VAL A 121 104.599 6.761 6.483 1.00 0.00 C ATOM 1990 O VAL A 121 105.660 7.168 6.908 1.00 0.00 O ATOM 1991 CB VAL A 121 102.357 7.622 7.223 1.00 0.00 C ATOM 1992 CG1 VAL A 121 102.144 6.160 7.627 1.00 0.00 C ATOM 1993 CG2 VAL A 121 102.770 8.436 8.450 1.00 0.00 C ATOM 0 HA VAL A 121 103.880 8.718 6.102 1.00 0.00 H new ATOM 0 HB VAL A 121 101.427 8.018 6.816 1.00 0.00 H new ATOM 0 HG11 VAL A 121 101.363 6.102 8.385 1.00 0.00 H new ATOM 0 HG12 VAL A 121 101.846 5.581 6.753 1.00 0.00 H new ATOM 0 HG13 VAL A 121 103.072 5.755 8.031 1.00 0.00 H new ATOM 0 HG21 VAL A 121 101.991 8.370 9.210 1.00 0.00 H new ATOM 0 HG22 VAL A 121 103.703 8.041 8.852 1.00 0.00 H new ATOM 0 HG23 VAL A 121 102.911 9.479 8.165 1.00 0.00 H new ATOM 2003 N ASN A 122 104.378 5.491 6.289 1.00 0.00 N ATOM 2004 CA ASN A 122 105.438 4.481 6.583 1.00 0.00 C ATOM 2005 C ASN A 122 106.822 5.016 6.197 1.00 0.00 C ATOM 2006 O ASN A 122 107.824 4.639 6.770 1.00 0.00 O ATOM 2007 CB ASN A 122 105.075 3.269 5.724 1.00 0.00 C ATOM 2008 CG ASN A 122 104.397 2.211 6.595 1.00 0.00 C ATOM 2009 OD1 ASN A 122 105.055 1.365 7.168 1.00 0.00 O ATOM 2010 ND2 ASN A 122 103.097 2.220 6.719 1.00 0.00 N ATOM 0 H ASN A 122 103.502 5.104 5.937 1.00 0.00 H new ATOM 0 HA ASN A 122 105.485 4.237 7.644 1.00 0.00 H new ATOM 0 HB2 ASN A 122 104.410 3.570 4.915 1.00 0.00 H new ATOM 0 HB3 ASN A 122 105.972 2.855 5.263 1.00 0.00 H new ATOM 0 HD21 ASN A 122 102.635 1.517 7.296 1.00 0.00 H new ATOM 0 HD22 ASN A 122 102.544 2.930 6.239 1.00 0.00 H new ATOM 2017 N VAL A 123 106.885 5.890 5.229 1.00 0.00 N ATOM 2018 CA VAL A 123 108.207 6.443 4.811 1.00 0.00 C ATOM 2019 C VAL A 123 108.631 7.581 5.749 1.00 0.00 C ATOM 2020 O VAL A 123 109.674 7.530 6.366 1.00 0.00 O ATOM 2021 CB VAL A 123 107.979 6.962 3.387 1.00 0.00 C ATOM 2022 CG1 VAL A 123 109.022 8.030 3.045 1.00 0.00 C ATOM 2023 CG2 VAL A 123 108.106 5.800 2.400 1.00 0.00 C ATOM 0 H VAL A 123 106.081 6.245 4.710 1.00 0.00 H new ATOM 0 HA VAL A 123 109.002 5.699 4.851 1.00 0.00 H new ATOM 0 HB VAL A 123 106.983 7.399 3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 123 108.852 8.393 2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 123 108.937 8.860 3.747 1.00 0.00 H new ATOM 0 HG13 VAL A 123 110.021 7.598 3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 123 107.944 6.165 1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 123 109.103 5.366 2.475 1.00 0.00 H new ATOM 0 HG23 VAL A 123 107.361 5.040 2.635 1.00 0.00 H new ATOM 2033 N ARG A 124 107.835 8.610 5.850 1.00 0.00 N ATOM 2034 CA ARG A 124 108.201 9.752 6.738 1.00 0.00 C ATOM 2035 C ARG A 124 108.579 9.254 8.137 1.00 0.00 C ATOM 2036 O ARG A 124 109.387 9.852 8.820 1.00 0.00 O ATOM 2037 CB ARG A 124 106.944 10.623 6.798 1.00 0.00 C ATOM 2038 CG ARG A 124 107.052 11.603 7.970 1.00 0.00 C ATOM 2039 CD ARG A 124 105.981 11.272 9.012 1.00 0.00 C ATOM 2040 NE ARG A 124 106.203 12.248 10.115 1.00 0.00 N ATOM 2041 CZ ARG A 124 105.218 12.996 10.532 1.00 0.00 C ATOM 2042 NH1 ARG A 124 104.021 12.490 10.650 1.00 0.00 N ATOM 2043 NH2 ARG A 124 105.430 14.248 10.831 1.00 0.00 N ATOM 0 H ARG A 124 106.948 8.710 5.357 1.00 0.00 H new ATOM 0 HA ARG A 124 109.064 10.301 6.362 1.00 0.00 H new ATOM 0 HB2 ARG A 124 106.824 11.171 5.863 1.00 0.00 H new ATOM 0 HB3 ARG A 124 106.060 9.996 6.916 1.00 0.00 H new ATOM 0 HG2 ARG A 124 108.043 11.541 8.419 1.00 0.00 H new ATOM 0 HG3 ARG A 124 106.926 12.626 7.615 1.00 0.00 H new ATOM 0 HD2 ARG A 124 104.979 11.370 8.594 1.00 0.00 H new ATOM 0 HD3 ARG A 124 106.079 10.246 9.367 1.00 0.00 H new ATOM 0 HE ARG A 124 107.124 12.332 10.544 1.00 0.00 H new ATOM 0 HH11 ARG A 124 103.856 11.511 10.416 1.00 0.00 H new ATOM 0 HH12 ARG A 124 103.250 13.074 10.976 1.00 0.00 H new ATOM 0 HH21 ARG A 124 106.366 14.643 10.739 1.00 0.00 H new ATOM 0 HH22 ARG A 124 104.660 14.832 11.157 1.00 0.00 H new ATOM 2057 N GLU A 125 107.995 8.175 8.572 1.00 0.00 N ATOM 2058 CA GLU A 125 108.314 7.651 9.932 1.00 0.00 C ATOM 2059 C GLU A 125 109.610 6.833 9.920 1.00 0.00 C ATOM 2060 O GLU A 125 110.514 7.082 10.688 1.00 0.00 O ATOM 2061 CB GLU A 125 107.126 6.763 10.297 1.00 0.00 C ATOM 2062 CG GLU A 125 105.912 7.640 10.608 1.00 0.00 C ATOM 2063 CD GLU A 125 105.230 7.134 11.880 1.00 0.00 C ATOM 2064 OE1 GLU A 125 105.686 7.491 12.955 1.00 0.00 O ATOM 2065 OE2 GLU A 125 104.264 6.400 11.760 1.00 0.00 O ATOM 0 H GLU A 125 107.310 7.631 8.047 1.00 0.00 H new ATOM 0 HA GLU A 125 108.468 8.457 10.650 1.00 0.00 H new ATOM 0 HB2 GLU A 125 106.898 6.086 9.474 1.00 0.00 H new ATOM 0 HB3 GLU A 125 107.372 6.144 11.160 1.00 0.00 H new ATOM 0 HG2 GLU A 125 106.222 8.677 10.737 1.00 0.00 H new ATOM 0 HG3 GLU A 125 105.211 7.618 9.774 1.00 0.00 H new ATOM 2072 N LYS A 126 109.704 5.854 9.065 1.00 0.00 N ATOM 2073 CA LYS A 126 110.941 5.020 9.022 1.00 0.00 C ATOM 2074 C LYS A 126 112.184 5.906 8.910 1.00 0.00 C ATOM 2075 O LYS A 126 113.157 5.722 9.614 1.00 0.00 O ATOM 2076 CB LYS A 126 110.791 4.153 7.773 1.00 0.00 C ATOM 2077 CG LYS A 126 111.154 2.705 8.108 1.00 0.00 C ATOM 2078 CD LYS A 126 110.309 2.226 9.290 1.00 0.00 C ATOM 2079 CE LYS A 126 111.227 1.828 10.447 1.00 0.00 C ATOM 2080 NZ LYS A 126 110.813 2.697 11.584 1.00 0.00 N ATOM 0 H LYS A 126 108.981 5.594 8.395 1.00 0.00 H new ATOM 0 HA LYS A 126 111.061 4.422 9.926 1.00 0.00 H new ATOM 0 HB2 LYS A 126 109.767 4.206 7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 126 111.437 4.526 6.979 1.00 0.00 H new ATOM 0 HG2 LYS A 126 110.982 2.066 7.242 1.00 0.00 H new ATOM 0 HG3 LYS A 126 112.214 2.632 8.352 1.00 0.00 H new ATOM 0 HD2 LYS A 126 109.628 3.016 9.607 1.00 0.00 H new ATOM 0 HD3 LYS A 126 109.695 1.377 8.991 1.00 0.00 H new ATOM 0 HE2 LYS A 126 111.114 0.773 10.695 1.00 0.00 H new ATOM 0 HE3 LYS A 126 112.275 1.985 10.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 111.465 3.504 11.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 109.847 3.046 11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 110.838 2.148 12.467 1.00 0.00 H new ATOM 2094 N ALA A 127 112.161 6.860 8.023 1.00 0.00 N ATOM 2095 CA ALA A 127 113.344 7.753 7.851 1.00 0.00 C ATOM 2096 C ALA A 127 113.547 8.640 9.085 1.00 0.00 C ATOM 2097 O ALA A 127 114.657 8.858 9.527 1.00 0.00 O ATOM 2098 CB ALA A 127 113.008 8.609 6.631 1.00 0.00 C ATOM 0 H ALA A 127 111.373 7.062 7.407 1.00 0.00 H new ATOM 0 HA ALA A 127 114.267 7.187 7.724 1.00 0.00 H new ATOM 0 HB1 ALA A 127 113.829 9.298 6.433 1.00 0.00 H new ATOM 0 HB2 ALA A 127 112.858 7.965 5.765 1.00 0.00 H new ATOM 0 HB3 ALA A 127 112.097 9.176 6.824 1.00 0.00 H new ATOM 2104 N LYS A 128 112.488 9.165 9.636 1.00 0.00 N ATOM 2105 CA LYS A 128 112.627 10.049 10.830 1.00 0.00 C ATOM 2106 C LYS A 128 113.318 9.309 11.980 1.00 0.00 C ATOM 2107 O LYS A 128 114.182 9.844 12.646 1.00 0.00 O ATOM 2108 CB LYS A 128 111.195 10.414 11.217 1.00 0.00 C ATOM 2109 CG LYS A 128 110.949 11.895 10.923 1.00 0.00 C ATOM 2110 CD LYS A 128 111.031 12.694 12.225 1.00 0.00 C ATOM 2111 CE LYS A 128 109.836 12.343 13.114 1.00 0.00 C ATOM 2112 NZ LYS A 128 110.255 12.728 14.491 1.00 0.00 N ATOM 0 H LYS A 128 111.532 9.021 9.312 1.00 0.00 H new ATOM 0 HA LYS A 128 113.236 10.928 10.616 1.00 0.00 H new ATOM 0 HB2 LYS A 128 110.488 9.799 10.659 1.00 0.00 H new ATOM 0 HB3 LYS A 128 111.030 10.210 12.275 1.00 0.00 H new ATOM 0 HG2 LYS A 128 111.688 12.263 10.211 1.00 0.00 H new ATOM 0 HG3 LYS A 128 109.970 12.028 10.463 1.00 0.00 H new ATOM 0 HD2 LYS A 128 111.963 12.469 12.744 1.00 0.00 H new ATOM 0 HD3 LYS A 128 111.036 13.762 12.009 1.00 0.00 H new ATOM 0 HE2 LYS A 128 108.942 12.886 12.807 1.00 0.00 H new ATOM 0 HE3 LYS A 128 109.599 11.281 13.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 109.487 12.517 15.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 111.104 12.190 14.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 110.467 13.746 14.517 1.00 0.00 H new ATOM 2126 N GLN A 129 112.939 8.086 12.226 1.00 0.00 N ATOM 2127 CA GLN A 129 113.566 7.317 13.339 1.00 0.00 C ATOM 2128 C GLN A 129 115.052 7.068 13.059 1.00 0.00 C ATOM 2129 O GLN A 129 115.897 7.310 13.897 1.00 0.00 O ATOM 2130 CB GLN A 129 112.797 5.996 13.385 1.00 0.00 C ATOM 2131 CG GLN A 129 111.578 6.150 14.297 1.00 0.00 C ATOM 2132 CD GLN A 129 110.598 7.145 13.672 1.00 0.00 C ATOM 2133 OE1 GLN A 129 110.874 8.326 13.605 1.00 0.00 O ATOM 2134 NE2 GLN A 129 109.457 6.713 13.209 1.00 0.00 N ATOM 0 H GLN A 129 112.221 7.584 11.704 1.00 0.00 H new ATOM 0 HA GLN A 129 113.517 7.855 14.286 1.00 0.00 H new ATOM 0 HB2 GLN A 129 112.481 5.711 12.381 1.00 0.00 H new ATOM 0 HB3 GLN A 129 113.443 5.199 13.754 1.00 0.00 H new ATOM 0 HG2 GLN A 129 111.092 5.185 14.439 1.00 0.00 H new ATOM 0 HG3 GLN A 129 111.889 6.499 15.282 1.00 0.00 H new ATOM 0 HE21 GLN A 129 109.226 5.721 13.266 1.00 0.00 H new ATOM 0 HE22 GLN A 129 108.796 7.367 12.790 1.00 0.00 H new ATOM 2143 N LEU A 130 115.380 6.586 11.892 1.00 0.00 N ATOM 2144 CA LEU A 130 116.814 6.324 11.577 1.00 0.00 C ATOM 2145 C LEU A 130 117.658 7.563 11.881 1.00 0.00 C ATOM 2146 O LEU A 130 118.741 7.472 12.423 1.00 0.00 O ATOM 2147 CB LEU A 130 116.848 6.001 10.082 1.00 0.00 C ATOM 2148 CG LEU A 130 118.294 5.758 9.640 1.00 0.00 C ATOM 2149 CD1 LEU A 130 119.002 4.855 10.653 1.00 0.00 C ATOM 2150 CD2 LEU A 130 118.296 5.078 8.271 1.00 0.00 C ATOM 0 H LEU A 130 114.721 6.363 11.146 1.00 0.00 H new ATOM 0 HA LEU A 130 117.222 5.509 12.174 1.00 0.00 H new ATOM 0 HB2 LEU A 130 116.242 5.119 9.877 1.00 0.00 H new ATOM 0 HB3 LEU A 130 116.417 6.824 9.512 1.00 0.00 H new ATOM 0 HG LEU A 130 118.817 6.712 9.580 1.00 0.00 H new ATOM 0 HD11 LEU A 130 120.030 4.686 10.333 1.00 0.00 H new ATOM 0 HD12 LEU A 130 119.001 5.335 11.632 1.00 0.00 H new ATOM 0 HD13 LEU A 130 118.480 3.900 10.717 1.00 0.00 H new ATOM 0 HD21 LEU A 130 119.324 4.903 7.953 1.00 0.00 H new ATOM 0 HD22 LEU A 130 117.770 4.126 8.337 1.00 0.00 H new ATOM 0 HD23 LEU A 130 117.796 5.719 7.545 1.00 0.00 H new ATOM 2162 N VAL A 131 117.168 8.721 11.540 1.00 0.00 N ATOM 2163 CA VAL A 131 117.941 9.966 11.817 1.00 0.00 C ATOM 2164 C VAL A 131 118.051 10.185 13.328 1.00 0.00 C ATOM 2165 O VAL A 131 119.031 10.706 13.822 1.00 0.00 O ATOM 2166 CB VAL A 131 117.134 11.091 11.169 1.00 0.00 C ATOM 2167 CG1 VAL A 131 117.609 12.440 11.711 1.00 0.00 C ATOM 2168 CG2 VAL A 131 117.335 11.055 9.653 1.00 0.00 C ATOM 0 H VAL A 131 116.267 8.861 11.082 1.00 0.00 H new ATOM 0 HA VAL A 131 118.956 9.920 11.424 1.00 0.00 H new ATOM 0 HB VAL A 131 116.077 10.957 11.401 1.00 0.00 H new ATOM 0 HG11 VAL A 131 117.033 13.241 11.248 1.00 0.00 H new ATOM 0 HG12 VAL A 131 117.467 12.468 12.791 1.00 0.00 H new ATOM 0 HG13 VAL A 131 118.666 12.573 11.480 1.00 0.00 H new ATOM 0 HG21 VAL A 131 116.760 11.857 9.191 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.392 11.187 9.423 1.00 0.00 H new ATOM 0 HG23 VAL A 131 116.997 10.095 9.264 1.00 0.00 H new ATOM 2178 N ALA A 132 117.049 9.788 14.066 1.00 0.00 N ATOM 2179 CA ALA A 132 117.090 9.970 15.545 1.00 0.00 C ATOM 2180 C ALA A 132 118.198 9.103 16.153 1.00 0.00 C ATOM 2181 O ALA A 132 119.030 9.576 16.900 1.00 0.00 O ATOM 2182 CB ALA A 132 115.718 9.509 16.038 1.00 0.00 C ATOM 0 H ALA A 132 116.203 9.345 13.707 1.00 0.00 H new ATOM 0 HA ALA A 132 117.300 11.001 15.830 1.00 0.00 H new ATOM 0 HB1 ALA A 132 115.667 9.612 17.122 1.00 0.00 H new ATOM 0 HB2 ALA A 132 114.942 10.121 15.579 1.00 0.00 H new ATOM 0 HB3 ALA A 132 115.565 8.465 15.765 1.00 0.00 H new ATOM 2188 N LEU A 133 118.211 7.838 15.838 1.00 0.00 N ATOM 2189 CA LEU A 133 119.262 6.939 16.396 1.00 0.00 C ATOM 2190 C LEU A 133 120.652 7.396 15.944 1.00 0.00 C ATOM 2191 O LEU A 133 121.592 7.407 16.713 1.00 0.00 O ATOM 2192 CB LEU A 133 118.941 5.558 15.824 1.00 0.00 C ATOM 2193 CG LEU A 133 118.784 4.554 16.968 1.00 0.00 C ATOM 2194 CD1 LEU A 133 118.291 3.218 16.409 1.00 0.00 C ATOM 2195 CD2 LEU A 133 120.136 4.352 17.655 1.00 0.00 C ATOM 0 H LEU A 133 117.539 7.386 15.218 1.00 0.00 H new ATOM 0 HA LEU A 133 119.269 6.941 17.486 1.00 0.00 H new ATOM 0 HB2 LEU A 133 118.024 5.601 15.236 1.00 0.00 H new ATOM 0 HB3 LEU A 133 119.737 5.237 15.152 1.00 0.00 H new ATOM 0 HG LEU A 133 118.062 4.934 17.690 1.00 0.00 H new ATOM 0 HD11 LEU A 133 118.179 2.502 17.223 1.00 0.00 H new ATOM 0 HD12 LEU A 133 117.329 3.362 15.917 1.00 0.00 H new ATOM 0 HD13 LEU A 133 119.014 2.837 15.687 1.00 0.00 H new ATOM 0 HD21 LEU A 133 120.027 3.637 18.470 1.00 0.00 H new ATOM 0 HD22 LEU A 133 120.858 3.971 16.933 1.00 0.00 H new ATOM 0 HD23 LEU A 133 120.488 5.304 18.052 1.00 0.00 H new ATOM 2207 N LEU A 134 120.788 7.771 14.701 1.00 0.00 N ATOM 2208 CA LEU A 134 122.117 8.225 14.199 1.00 0.00 C ATOM 2209 C LEU A 134 122.793 9.133 15.231 1.00 0.00 C ATOM 2210 O LEU A 134 123.828 8.804 15.776 1.00 0.00 O ATOM 2211 CB LEU A 134 121.811 9.001 12.917 1.00 0.00 C ATOM 2212 CG LEU A 134 122.221 8.165 11.704 1.00 0.00 C ATOM 2213 CD1 LEU A 134 123.736 7.955 11.716 1.00 0.00 C ATOM 2214 CD2 LEU A 134 121.520 6.806 11.761 1.00 0.00 C ATOM 0 H LEU A 134 120.037 7.783 14.011 1.00 0.00 H new ATOM 0 HA LEU A 134 122.797 7.392 14.019 1.00 0.00 H new ATOM 0 HB2 LEU A 134 120.748 9.237 12.867 1.00 0.00 H new ATOM 0 HB3 LEU A 134 122.348 9.949 12.917 1.00 0.00 H new ATOM 0 HG LEU A 134 121.933 8.686 10.791 1.00 0.00 H new ATOM 0 HD11 LEU A 134 124.028 7.359 10.851 1.00 0.00 H new ATOM 0 HD12 LEU A 134 124.238 8.922 11.676 1.00 0.00 H new ATOM 0 HD13 LEU A 134 124.024 7.434 12.629 1.00 0.00 H new ATOM 0 HD21 LEU A 134 121.812 6.210 10.897 1.00 0.00 H new ATOM 0 HD22 LEU A 134 121.808 6.286 12.675 1.00 0.00 H new ATOM 0 HD23 LEU A 134 120.440 6.953 11.752 1.00 0.00 H new