USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=23 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 57 MET CE :methyl -171:sc= -3.07 (180deg=-2.87) USER MOD Set 1.2: A 81 MET CE :methyl -114:sc= -11.7! (180deg=-17!) USER MOD Set 1.3: A 96 CYS SG : rot -8:sc= -5.41! USER MOD Set 2.1: A 28 THR OG1 : rot -86:sc= 0.314 USER MOD Set 2.2: A 73 HIS : no HD1:sc= 0 X(o=0.31,f=0.081) USER MOD Set 3.1: A 58 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 148:sc= 0 (180deg=-1.03) USER MOD Single : A 40 MET CE :methyl -128:sc= -2.99 (180deg=-5.17!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -70:sc= 0.168 USER MOD Single : A 48 TYR OH : rot 152:sc= 0.72 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 145:sc= -0.335 (180deg=-2.36!) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -140:sc= -10.4! (180deg=-12.9!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0483 USER MOD Single : A 83 TYR OH : rot 30: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 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= -0.11 USER MOD Single : A 94 GLN : amide:sc= -0.434 K(o=-0.43,f=-3.6!) USER MOD Single : A 95 GLN : amide:sc= -0.0933 K(o=-0.093,f=0.72) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.465 K(o=-0.47,f=-3.5!) USER MOD Single : A 100 MET CE :methyl 149:sc=-0.00471 (180deg=-1.74!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -2.12 X(o=-2.1,f=-2.4!) 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 122 ASN : amide:sc= -0.0214 K(o=-0.021,f=-1.3!) USER MOD Single : A 126 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0343) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD ----------------------------------------------------------------- ATOM 355 N GLU A 19 129.912 -5.781 -6.633 1.00 0.00 N ATOM 356 CA GLU A 19 128.521 -6.292 -6.799 1.00 0.00 C ATOM 357 C GLU A 19 127.610 -5.714 -5.713 1.00 0.00 C ATOM 358 O GLU A 19 126.418 -5.950 -5.701 1.00 0.00 O ATOM 359 CB GLU A 19 128.639 -7.809 -6.651 1.00 0.00 C ATOM 360 CG GLU A 19 129.300 -8.394 -7.900 1.00 0.00 C ATOM 361 CD GLU A 19 128.260 -8.525 -9.014 1.00 0.00 C ATOM 362 OE1 GLU A 19 127.449 -9.433 -8.937 1.00 0.00 O ATOM 363 OE2 GLU A 19 128.293 -7.714 -9.925 1.00 0.00 O ATOM 0 HA GLU A 19 128.087 -6.008 -7.758 1.00 0.00 H new ATOM 0 HB2 GLU A 19 129.227 -8.054 -5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 19 127.652 -8.249 -6.509 1.00 0.00 H new ATOM 0 HG2 GLU A 19 130.118 -7.752 -8.226 1.00 0.00 H new ATOM 0 HG3 GLU A 19 129.731 -9.369 -7.674 1.00 0.00 H new ATOM 370 N ALA A 20 128.158 -4.960 -4.800 1.00 0.00 N ATOM 371 CA ALA A 20 127.318 -4.372 -3.718 1.00 0.00 C ATOM 372 C ALA A 20 126.209 -3.507 -4.323 1.00 0.00 C ATOM 373 O ALA A 20 125.048 -3.647 -3.992 1.00 0.00 O ATOM 374 CB ALA A 20 128.276 -3.515 -2.892 1.00 0.00 C ATOM 0 H ALA A 20 129.150 -4.726 -4.756 1.00 0.00 H new ATOM 0 HA ALA A 20 126.831 -5.136 -3.112 1.00 0.00 H new ATOM 0 HB1 ALA A 20 127.731 -3.047 -2.073 1.00 0.00 H new ATOM 0 HB2 ALA A 20 129.070 -4.143 -2.487 1.00 0.00 H new ATOM 0 HB3 ALA A 20 128.712 -2.743 -3.526 1.00 0.00 H new ATOM 380 N GLU A 21 126.558 -2.614 -5.208 1.00 0.00 N ATOM 381 CA GLU A 21 125.524 -1.741 -5.834 1.00 0.00 C ATOM 382 C GLU A 21 124.291 -2.570 -6.206 1.00 0.00 C ATOM 383 O GLU A 21 123.180 -2.076 -6.220 1.00 0.00 O ATOM 384 CB GLU A 21 126.188 -1.175 -7.088 1.00 0.00 C ATOM 385 CG GLU A 21 126.553 -2.318 -8.036 1.00 0.00 C ATOM 386 CD GLU A 21 127.762 -1.916 -8.882 1.00 0.00 C ATOM 387 OE1 GLU A 21 127.974 -0.726 -9.049 1.00 0.00 O ATOM 388 OE2 GLU A 21 128.456 -2.804 -9.348 1.00 0.00 O ATOM 0 H GLU A 21 127.514 -2.451 -5.525 1.00 0.00 H new ATOM 0 HA GLU A 21 125.187 -0.952 -5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 21 125.514 -0.478 -7.585 1.00 0.00 H new ATOM 0 HB3 GLU A 21 127.083 -0.615 -6.817 1.00 0.00 H new ATOM 0 HG2 GLU A 21 126.779 -3.219 -7.466 1.00 0.00 H new ATOM 0 HG3 GLU A 21 125.707 -2.553 -8.681 1.00 0.00 H new ATOM 395 N ILE A 22 124.477 -3.825 -6.508 1.00 0.00 N ATOM 396 CA ILE A 22 123.315 -4.683 -6.878 1.00 0.00 C ATOM 397 C ILE A 22 122.618 -5.196 -5.616 1.00 0.00 C ATOM 398 O ILE A 22 121.406 -5.208 -5.526 1.00 0.00 O ATOM 399 CB ILE A 22 123.914 -5.846 -7.668 1.00 0.00 C ATOM 400 CG1 ILE A 22 124.852 -5.301 -8.747 1.00 0.00 C ATOM 401 CG2 ILE A 22 122.790 -6.646 -8.329 1.00 0.00 C ATOM 402 CD1 ILE A 22 125.535 -6.466 -9.464 1.00 0.00 C ATOM 0 H ILE A 22 125.383 -4.294 -6.515 1.00 0.00 H new ATOM 0 HA ILE A 22 122.569 -4.140 -7.458 1.00 0.00 H new ATOM 0 HB ILE A 22 124.473 -6.493 -6.992 1.00 0.00 H new ATOM 0 HG12 ILE A 22 124.291 -4.699 -9.462 1.00 0.00 H new ATOM 0 HG13 ILE A 22 125.600 -4.648 -8.298 1.00 0.00 H new ATOM 0 HG21 ILE A 22 123.217 -7.476 -8.893 1.00 0.00 H new ATOM 0 HG22 ILE A 22 122.120 -7.035 -7.562 1.00 0.00 H new ATOM 0 HG23 ILE A 22 122.231 -5.998 -9.004 1.00 0.00 H new ATOM 0 HD11 ILE A 22 126.203 -6.078 -10.233 1.00 0.00 H new ATOM 0 HD12 ILE A 22 126.109 -7.050 -8.745 1.00 0.00 H new ATOM 0 HD13 ILE A 22 124.780 -7.102 -9.926 1.00 0.00 H new ATOM 414 N LYS A 23 123.374 -5.620 -4.642 1.00 0.00 N ATOM 415 CA LYS A 23 122.755 -6.131 -3.386 1.00 0.00 C ATOM 416 C LYS A 23 121.852 -5.060 -2.771 1.00 0.00 C ATOM 417 O LYS A 23 120.849 -5.359 -2.154 1.00 0.00 O ATOM 418 CB LYS A 23 123.932 -6.438 -2.461 1.00 0.00 C ATOM 419 CG LYS A 23 124.629 -7.717 -2.931 1.00 0.00 C ATOM 420 CD LYS A 23 123.986 -8.926 -2.251 1.00 0.00 C ATOM 421 CE LYS A 23 124.014 -10.125 -3.202 1.00 0.00 C ATOM 422 NZ LYS A 23 122.692 -10.098 -3.888 1.00 0.00 N ATOM 0 H LYS A 23 124.394 -5.635 -4.661 1.00 0.00 H new ATOM 0 HA LYS A 23 122.134 -7.010 -3.558 1.00 0.00 H new ATOM 0 HB2 LYS A 23 124.636 -5.606 -2.462 1.00 0.00 H new ATOM 0 HB3 LYS A 23 123.581 -6.558 -1.436 1.00 0.00 H new ATOM 0 HG2 LYS A 23 124.550 -7.810 -4.014 1.00 0.00 H new ATOM 0 HG3 LYS A 23 125.692 -7.674 -2.692 1.00 0.00 H new ATOM 0 HD2 LYS A 23 124.520 -9.166 -1.332 1.00 0.00 H new ATOM 0 HD3 LYS A 23 122.958 -8.695 -1.971 1.00 0.00 H new ATOM 0 HE2 LYS A 23 124.832 -10.043 -3.917 1.00 0.00 H new ATOM 0 HE3 LYS A 23 124.158 -11.058 -2.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 122.795 -10.469 -4.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 122.016 -10.687 -3.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 122.341 -9.120 -3.928 1.00 0.00 H new ATOM 436 N VAL A 24 122.197 -3.813 -2.937 1.00 0.00 N ATOM 437 CA VAL A 24 121.355 -2.726 -2.363 1.00 0.00 C ATOM 438 C VAL A 24 120.101 -2.528 -3.219 1.00 0.00 C ATOM 439 O VAL A 24 119.007 -2.380 -2.709 1.00 0.00 O ATOM 440 CB VAL A 24 122.234 -1.477 -2.401 1.00 0.00 C ATOM 441 CG1 VAL A 24 121.421 -0.265 -1.944 1.00 0.00 C ATOM 442 CG2 VAL A 24 123.431 -1.668 -1.466 1.00 0.00 C ATOM 0 H VAL A 24 123.024 -3.500 -3.445 1.00 0.00 H new ATOM 0 HA VAL A 24 121.019 -2.953 -1.351 1.00 0.00 H new ATOM 0 HB VAL A 24 122.588 -1.314 -3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 24 122.049 0.626 -1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 24 120.568 -0.128 -2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 24 121.066 -0.428 -0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 24 124.059 -0.777 -1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 24 123.076 -1.831 -0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 24 124.012 -2.531 -1.790 1.00 0.00 H new ATOM 452 N ARG A 25 120.251 -2.525 -4.515 1.00 0.00 N ATOM 453 CA ARG A 25 119.067 -2.339 -5.402 1.00 0.00 C ATOM 454 C ARG A 25 118.018 -3.414 -5.112 1.00 0.00 C ATOM 455 O ARG A 25 116.831 -3.154 -5.106 1.00 0.00 O ATOM 456 CB ARG A 25 119.610 -2.486 -6.824 1.00 0.00 C ATOM 457 CG ARG A 25 118.522 -2.099 -7.828 1.00 0.00 C ATOM 458 CD ARG A 25 118.965 -0.858 -8.606 1.00 0.00 C ATOM 459 NE ARG A 25 118.869 -1.248 -10.040 1.00 0.00 N ATOM 460 CZ ARG A 25 117.738 -1.118 -10.677 1.00 0.00 C ATOM 461 NH1 ARG A 25 117.425 0.026 -11.221 1.00 0.00 N ATOM 462 NH2 ARG A 25 116.920 -2.130 -10.770 1.00 0.00 N ATOM 0 H ARG A 25 121.141 -2.643 -4.998 1.00 0.00 H new ATOM 0 HA ARG A 25 118.583 -1.374 -5.250 1.00 0.00 H new ATOM 0 HB2 ARG A 25 120.486 -1.851 -6.958 1.00 0.00 H new ATOM 0 HB3 ARG A 25 119.931 -3.513 -6.998 1.00 0.00 H new ATOM 0 HG2 ARG A 25 118.335 -2.925 -8.515 1.00 0.00 H new ATOM 0 HG3 ARG A 25 117.585 -1.900 -7.307 1.00 0.00 H new ATOM 0 HD2 ARG A 25 118.324 -0.004 -8.385 1.00 0.00 H new ATOM 0 HD3 ARG A 25 119.983 -0.569 -8.343 1.00 0.00 H new ATOM 0 HE ARG A 25 119.688 -1.617 -10.524 1.00 0.00 H new ATOM 0 HH11 ARG A 25 118.064 0.817 -11.148 1.00 0.00 H new ATOM 0 HH12 ARG A 25 116.541 0.129 -11.719 1.00 0.00 H new ATOM 0 HH21 ARG A 25 117.164 -3.024 -10.344 1.00 0.00 H new ATOM 0 HH22 ARG A 25 116.036 -2.027 -11.268 1.00 0.00 H new ATOM 476 N GLU A 26 118.450 -4.619 -4.870 1.00 0.00 N ATOM 477 CA GLU A 26 117.483 -5.714 -4.578 1.00 0.00 C ATOM 478 C GLU A 26 117.085 -5.686 -3.100 1.00 0.00 C ATOM 479 O GLU A 26 115.992 -6.072 -2.735 1.00 0.00 O ATOM 480 CB GLU A 26 118.233 -7.005 -4.910 1.00 0.00 C ATOM 481 CG GLU A 26 117.230 -8.145 -5.098 1.00 0.00 C ATOM 482 CD GLU A 26 117.870 -9.466 -4.668 1.00 0.00 C ATOM 483 OE1 GLU A 26 119.062 -9.467 -4.409 1.00 0.00 O ATOM 484 OE2 GLU A 26 117.158 -10.454 -4.606 1.00 0.00 O ATOM 0 H GLU A 26 119.432 -4.894 -4.862 1.00 0.00 H new ATOM 0 HA GLU A 26 116.563 -5.619 -5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 26 118.823 -6.872 -5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 26 118.931 -7.249 -4.109 1.00 0.00 H new ATOM 0 HG2 GLU A 26 116.333 -7.955 -4.509 1.00 0.00 H new ATOM 0 HG3 GLU A 26 116.920 -8.202 -6.141 1.00 0.00 H new ATOM 491 N ALA A 27 117.961 -5.229 -2.249 1.00 0.00 N ATOM 492 CA ALA A 27 117.630 -5.174 -0.796 1.00 0.00 C ATOM 493 C ALA A 27 116.442 -4.240 -0.565 1.00 0.00 C ATOM 494 O ALA A 27 115.719 -4.365 0.403 1.00 0.00 O ATOM 495 CB ALA A 27 118.886 -4.623 -0.121 1.00 0.00 C ATOM 0 H ALA A 27 118.891 -4.891 -2.496 1.00 0.00 H new ATOM 0 HA ALA A 27 117.352 -6.150 -0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 27 118.720 -4.553 0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 27 119.726 -5.290 -0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 27 119.109 -3.633 -0.519 1.00 0.00 H new ATOM 501 N THR A 28 116.234 -3.303 -1.449 1.00 0.00 N ATOM 502 CA THR A 28 115.091 -2.363 -1.283 1.00 0.00 C ATOM 503 C THR A 28 113.929 -2.782 -2.188 1.00 0.00 C ATOM 504 O THR A 28 113.196 -1.958 -2.697 1.00 0.00 O ATOM 505 CB THR A 28 115.635 -0.996 -1.705 1.00 0.00 C ATOM 506 OG1 THR A 28 116.260 -1.110 -2.976 1.00 0.00 O ATOM 507 CG2 THR A 28 116.653 -0.507 -0.675 1.00 0.00 C ATOM 0 H THR A 28 116.806 -3.148 -2.279 1.00 0.00 H new ATOM 0 HA THR A 28 114.711 -2.351 -0.262 1.00 0.00 H new ATOM 0 HB THR A 28 114.814 -0.281 -1.765 1.00 0.00 H new ATOM 0 HG1 THR A 28 117.193 -1.384 -2.858 1.00 0.00 H new ATOM 0 HG21 THR A 28 117.039 0.466 -0.978 1.00 0.00 H new ATOM 0 HG22 THR A 28 116.172 -0.419 0.299 1.00 0.00 H new ATOM 0 HG23 THR A 28 117.476 -1.219 -0.610 1.00 0.00 H new ATOM 644 N LEU A 39 120.728 -10.669 2.253 1.00 0.00 N ATOM 645 CA LEU A 39 120.871 -9.443 1.415 1.00 0.00 C ATOM 646 C LEU A 39 121.361 -8.269 2.269 1.00 0.00 C ATOM 647 O LEU A 39 122.178 -7.478 1.842 1.00 0.00 O ATOM 648 CB LEU A 39 119.464 -9.166 0.882 1.00 0.00 C ATOM 649 CG LEU A 39 119.532 -8.842 -0.611 1.00 0.00 C ATOM 650 CD1 LEU A 39 120.261 -7.513 -0.816 1.00 0.00 C ATOM 651 CD2 LEU A 39 120.287 -9.955 -1.342 1.00 0.00 C ATOM 0 HA LEU A 39 121.596 -9.574 0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 39 118.825 -10.034 1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 39 119.017 -8.333 1.425 1.00 0.00 H new ATOM 0 HG LEU A 39 118.520 -8.765 -1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 39 120.308 -7.284 -1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 39 119.723 -6.719 -0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 39 121.272 -7.587 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 39 120.335 -9.724 -2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 39 121.298 -10.033 -0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 39 119.766 -10.902 -1.200 1.00 0.00 H new ATOM 663 N MET A 40 120.868 -8.150 3.472 1.00 0.00 N ATOM 664 CA MET A 40 121.306 -7.025 4.348 1.00 0.00 C ATOM 665 C MET A 40 122.705 -7.296 4.908 1.00 0.00 C ATOM 666 O MET A 40 123.634 -6.548 4.675 1.00 0.00 O ATOM 667 CB MET A 40 120.276 -6.980 5.477 1.00 0.00 C ATOM 668 CG MET A 40 118.868 -6.900 4.882 1.00 0.00 C ATOM 669 SD MET A 40 118.496 -5.185 4.442 1.00 0.00 S ATOM 670 CE MET A 40 117.273 -4.879 5.740 1.00 0.00 C ATOM 0 H MET A 40 120.182 -8.782 3.886 1.00 0.00 H new ATOM 0 HA MET A 40 121.362 -6.081 3.807 1.00 0.00 H new ATOM 0 HB2 MET A 40 120.368 -7.868 6.103 1.00 0.00 H new ATOM 0 HB3 MET A 40 120.461 -6.118 6.118 1.00 0.00 H new ATOM 0 HG2 MET A 40 118.798 -7.536 4.000 1.00 0.00 H new ATOM 0 HG3 MET A 40 118.136 -7.269 5.601 1.00 0.00 H new ATOM 0 HE1 MET A 40 116.361 -4.481 5.294 1.00 0.00 H new ATOM 0 HE2 MET A 40 117.048 -5.813 6.255 1.00 0.00 H new ATOM 0 HE3 MET A 40 117.672 -4.158 6.454 1.00 0.00 H new ATOM 680 N SER A 41 122.863 -8.359 5.649 1.00 0.00 N ATOM 681 CA SER A 41 124.201 -8.674 6.226 1.00 0.00 C ATOM 682 C SER A 41 125.281 -8.593 5.143 1.00 0.00 C ATOM 683 O SER A 41 126.425 -8.292 5.415 1.00 0.00 O ATOM 684 CB SER A 41 124.076 -10.104 6.754 1.00 0.00 C ATOM 685 OG SER A 41 123.931 -10.997 5.658 1.00 0.00 O ATOM 0 H SER A 41 122.124 -9.023 5.880 1.00 0.00 H new ATOM 0 HA SER A 41 124.488 -7.972 7.009 1.00 0.00 H new ATOM 0 HB2 SER A 41 124.958 -10.367 7.338 1.00 0.00 H new ATOM 0 HB3 SER A 41 123.217 -10.184 7.420 1.00 0.00 H new ATOM 0 HG SER A 41 123.852 -11.915 5.992 1.00 0.00 H new ATOM 691 N GLU A 42 124.925 -8.863 3.917 1.00 0.00 N ATOM 692 CA GLU A 42 125.933 -8.803 2.819 1.00 0.00 C ATOM 693 C GLU A 42 126.263 -7.347 2.476 1.00 0.00 C ATOM 694 O GLU A 42 127.411 -6.949 2.463 1.00 0.00 O ATOM 695 CB GLU A 42 125.264 -9.497 1.632 1.00 0.00 C ATOM 696 CG GLU A 42 125.584 -10.993 1.667 1.00 0.00 C ATOM 697 CD GLU A 42 125.725 -11.520 0.238 1.00 0.00 C ATOM 698 OE1 GLU A 42 126.074 -10.736 -0.629 1.00 0.00 O ATOM 699 OE2 GLU A 42 125.481 -12.698 0.035 1.00 0.00 O ATOM 0 H GLU A 42 123.982 -9.122 3.628 1.00 0.00 H new ATOM 0 HA GLU A 42 126.873 -9.281 3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 42 124.185 -9.344 1.669 1.00 0.00 H new ATOM 0 HB3 GLU A 42 125.616 -9.061 0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 42 126.506 -11.165 2.222 1.00 0.00 H new ATOM 0 HG3 GLU A 42 124.793 -11.532 2.188 1.00 0.00 H new ATOM 706 N ILE A 43 125.268 -6.551 2.195 1.00 0.00 N ATOM 707 CA ILE A 43 125.533 -5.125 1.852 1.00 0.00 C ATOM 708 C ILE A 43 126.377 -4.469 2.946 1.00 0.00 C ATOM 709 O ILE A 43 127.271 -3.694 2.672 1.00 0.00 O ATOM 710 CB ILE A 43 124.156 -4.474 1.766 1.00 0.00 C ATOM 711 CG1 ILE A 43 123.476 -4.905 0.465 1.00 0.00 C ATOM 712 CG2 ILE A 43 124.310 -2.953 1.783 1.00 0.00 C ATOM 713 CD1 ILE A 43 121.973 -4.651 0.564 1.00 0.00 C ATOM 0 H ILE A 43 124.286 -6.825 2.188 1.00 0.00 H new ATOM 0 HA ILE A 43 126.087 -5.019 0.920 1.00 0.00 H new ATOM 0 HB ILE A 43 123.549 -4.785 2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 43 123.894 -4.352 -0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 43 123.665 -5.962 0.277 1.00 0.00 H new ATOM 0 HG21 ILE A 43 123.327 -2.487 1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 43 124.799 -2.647 2.708 1.00 0.00 H new ATOM 0 HG23 ILE A 43 124.914 -2.639 0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 43 121.490 -4.959 -0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 43 121.561 -5.224 1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 43 121.794 -3.589 0.732 1.00 0.00 H new ATOM 725 N ALA A 44 126.109 -4.776 4.183 1.00 0.00 N ATOM 726 CA ALA A 44 126.912 -4.173 5.281 1.00 0.00 C ATOM 727 C ALA A 44 128.350 -4.691 5.195 1.00 0.00 C ATOM 728 O ALA A 44 129.301 -3.930 5.177 1.00 0.00 O ATOM 729 CB ALA A 44 126.234 -4.636 6.571 1.00 0.00 C ATOM 0 H ALA A 44 125.372 -5.415 4.481 1.00 0.00 H new ATOM 0 HA ALA A 44 126.957 -3.085 5.230 1.00 0.00 H new ATOM 0 HB1 ALA A 44 126.770 -4.231 7.429 1.00 0.00 H new ATOM 0 HB2 ALA A 44 125.203 -4.283 6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 44 126.245 -5.725 6.617 1.00 0.00 H new ATOM 735 N ASP A 45 128.519 -5.983 5.116 1.00 0.00 N ATOM 736 CA ASP A 45 129.895 -6.536 5.005 1.00 0.00 C ATOM 737 C ASP A 45 130.583 -5.910 3.791 1.00 0.00 C ATOM 738 O ASP A 45 131.792 -5.912 3.674 1.00 0.00 O ATOM 739 CB ASP A 45 129.707 -8.041 4.806 1.00 0.00 C ATOM 740 CG ASP A 45 130.577 -8.801 5.810 1.00 0.00 C ATOM 741 OD1 ASP A 45 130.231 -8.805 6.980 1.00 0.00 O ATOM 742 OD2 ASP A 45 131.573 -9.366 5.391 1.00 0.00 O ATOM 0 H ASP A 45 127.768 -6.674 5.124 1.00 0.00 H new ATOM 0 HA ASP A 45 130.511 -6.327 5.880 1.00 0.00 H new ATOM 0 HB2 ASP A 45 128.659 -8.308 4.941 1.00 0.00 H new ATOM 0 HB3 ASP A 45 129.979 -8.321 3.788 1.00 0.00 H new ATOM 747 N LEU A 46 129.809 -5.368 2.888 1.00 0.00 N ATOM 748 CA LEU A 46 130.400 -4.732 1.679 1.00 0.00 C ATOM 749 C LEU A 46 130.843 -3.304 2.000 1.00 0.00 C ATOM 750 O LEU A 46 131.868 -2.847 1.539 1.00 0.00 O ATOM 751 CB LEU A 46 129.277 -4.728 0.642 1.00 0.00 C ATOM 752 CG LEU A 46 129.296 -6.043 -0.135 1.00 0.00 C ATOM 753 CD1 LEU A 46 128.002 -6.179 -0.940 1.00 0.00 C ATOM 754 CD2 LEU A 46 130.492 -6.053 -1.089 1.00 0.00 C ATOM 0 H LEU A 46 128.791 -5.339 2.938 1.00 0.00 H new ATOM 0 HA LEU A 46 131.281 -5.264 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 46 128.313 -4.598 1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 46 129.401 -3.888 -0.041 1.00 0.00 H new ATOM 0 HG LEU A 46 129.379 -6.876 0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 46 128.015 -7.117 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 46 127.149 -6.171 -0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 46 127.919 -5.346 -1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 46 130.507 -6.991 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 46 130.408 -5.220 -1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 46 131.415 -5.955 -0.517 1.00 0.00 H new ATOM 766 N THR A 47 130.084 -2.594 2.789 1.00 0.00 N ATOM 767 CA THR A 47 130.487 -1.199 3.131 1.00 0.00 C ATOM 768 C THR A 47 131.925 -1.202 3.639 1.00 0.00 C ATOM 769 O THR A 47 132.728 -0.365 3.276 1.00 0.00 O ATOM 770 CB THR A 47 129.536 -0.744 4.239 1.00 0.00 C ATOM 771 OG1 THR A 47 129.612 -1.648 5.331 1.00 0.00 O ATOM 772 CG2 THR A 47 128.107 -0.699 3.707 1.00 0.00 C ATOM 0 H THR A 47 129.211 -2.914 3.208 1.00 0.00 H new ATOM 0 HA THR A 47 130.434 -0.534 2.269 1.00 0.00 H new ATOM 0 HB THR A 47 129.824 0.253 4.574 1.00 0.00 H new ATOM 0 HG1 THR A 47 129.201 -2.501 5.079 1.00 0.00 H new ATOM 0 HG21 THR A 47 127.434 -0.374 4.500 1.00 0.00 H new ATOM 0 HG22 THR A 47 128.051 0.002 2.874 1.00 0.00 H new ATOM 0 HG23 THR A 47 127.814 -1.692 3.366 1.00 0.00 H new ATOM 780 N TYR A 48 132.257 -2.147 4.473 1.00 0.00 N ATOM 781 CA TYR A 48 133.650 -2.212 5.004 1.00 0.00 C ATOM 782 C TYR A 48 134.642 -1.958 3.867 1.00 0.00 C ATOM 783 O TYR A 48 135.602 -1.226 4.014 1.00 0.00 O ATOM 784 CB TYR A 48 133.808 -3.634 5.542 1.00 0.00 C ATOM 785 CG TYR A 48 132.957 -3.802 6.777 1.00 0.00 C ATOM 786 CD1 TYR A 48 133.453 -3.412 8.028 1.00 0.00 C ATOM 787 CD2 TYR A 48 131.673 -4.348 6.672 1.00 0.00 C ATOM 788 CE1 TYR A 48 132.664 -3.569 9.173 1.00 0.00 C ATOM 789 CE2 TYR A 48 130.884 -4.505 7.818 1.00 0.00 C ATOM 790 CZ TYR A 48 131.379 -4.116 9.069 1.00 0.00 C ATOM 791 OH TYR A 48 130.602 -4.271 10.198 1.00 0.00 O ATOM 0 H TYR A 48 131.628 -2.876 4.810 1.00 0.00 H new ATOM 0 HA TYR A 48 133.838 -1.467 5.777 1.00 0.00 H new ATOM 0 HB2 TYR A 48 133.512 -4.357 4.782 1.00 0.00 H new ATOM 0 HB3 TYR A 48 134.854 -3.831 5.778 1.00 0.00 H new ATOM 0 HD1 TYR A 48 134.444 -2.990 8.109 1.00 0.00 H new ATOM 0 HD2 TYR A 48 131.291 -4.648 5.708 1.00 0.00 H new ATOM 0 HE1 TYR A 48 133.046 -3.268 10.137 1.00 0.00 H new ATOM 0 HE2 TYR A 48 129.893 -4.926 7.737 1.00 0.00 H new ATOM 0 HH TYR A 48 129.655 -4.224 9.952 1.00 0.00 H new ATOM 801 N ASN A 49 134.406 -2.554 2.732 1.00 0.00 N ATOM 802 CA ASN A 49 135.321 -2.349 1.571 1.00 0.00 C ATOM 803 C ASN A 49 135.128 -0.958 0.985 1.00 0.00 C ATOM 804 O ASN A 49 134.295 -0.739 0.131 1.00 0.00 O ATOM 805 CB ASN A 49 134.936 -3.426 0.556 1.00 0.00 C ATOM 806 CG ASN A 49 136.175 -3.846 -0.238 1.00 0.00 C ATOM 807 OD1 ASN A 49 136.768 -3.042 -0.928 1.00 0.00 O ATOM 808 ND2 ASN A 49 136.591 -5.080 -0.170 1.00 0.00 N ATOM 0 H ASN A 49 133.617 -3.176 2.556 1.00 0.00 H new ATOM 0 HA ASN A 49 136.370 -2.426 1.858 1.00 0.00 H new ATOM 0 HB2 ASN A 49 134.510 -4.288 1.069 1.00 0.00 H new ATOM 0 HB3 ASN A 49 134.169 -3.046 -0.120 1.00 0.00 H new ATOM 0 HD21 ASN A 49 137.415 -5.370 -0.697 1.00 0.00 H new ATOM 0 HD22 ASN A 49 136.092 -5.755 0.410 1.00 0.00 H new ATOM 815 N VAL A 50 135.934 -0.046 1.449 1.00 0.00 N ATOM 816 CA VAL A 50 135.927 1.372 0.975 1.00 0.00 C ATOM 817 C VAL A 50 135.052 1.582 -0.271 1.00 0.00 C ATOM 818 O VAL A 50 134.148 2.393 -0.269 1.00 0.00 O ATOM 819 CB VAL A 50 137.402 1.660 0.650 1.00 0.00 C ATOM 820 CG1 VAL A 50 138.113 2.142 1.916 1.00 0.00 C ATOM 821 CG2 VAL A 50 138.108 0.385 0.132 1.00 0.00 C ATOM 0 H VAL A 50 136.630 -0.233 2.171 1.00 0.00 H new ATOM 0 HA VAL A 50 135.506 2.039 1.728 1.00 0.00 H new ATOM 0 HB VAL A 50 137.444 2.426 -0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 50 139.159 2.347 1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 50 137.635 3.052 2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 50 138.052 1.370 2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 50 139.150 0.612 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 50 138.061 -0.392 0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 50 137.610 0.036 -0.773 1.00 0.00 H new ATOM 831 N VAL A 51 135.314 0.870 -1.331 1.00 0.00 N ATOM 832 CA VAL A 51 134.496 1.048 -2.567 1.00 0.00 C ATOM 833 C VAL A 51 133.061 0.594 -2.333 1.00 0.00 C ATOM 834 O VAL A 51 132.129 1.371 -2.392 1.00 0.00 O ATOM 835 CB VAL A 51 135.155 0.144 -3.617 1.00 0.00 C ATOM 836 CG1 VAL A 51 134.130 -0.246 -4.701 1.00 0.00 C ATOM 837 CG2 VAL A 51 136.321 0.891 -4.266 1.00 0.00 C ATOM 0 H VAL A 51 136.057 0.174 -1.397 1.00 0.00 H new ATOM 0 HA VAL A 51 134.459 2.093 -2.876 1.00 0.00 H new ATOM 0 HB VAL A 51 135.519 -0.761 -3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 51 134.609 -0.888 -5.441 1.00 0.00 H new ATOM 0 HG12 VAL A 51 133.299 -0.781 -4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 51 133.756 0.654 -5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 51 136.792 0.252 -5.013 1.00 0.00 H new ATOM 0 HG22 VAL A 51 135.951 1.797 -4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 51 137.052 1.157 -3.503 1.00 0.00 H new ATOM 847 N ALA A 52 132.888 -0.677 -2.117 1.00 0.00 N ATOM 848 CA ALA A 52 131.524 -1.230 -1.930 1.00 0.00 C ATOM 849 C ALA A 52 130.643 -0.262 -1.135 1.00 0.00 C ATOM 850 O ALA A 52 129.515 -0.005 -1.495 1.00 0.00 O ATOM 851 CB ALA A 52 131.724 -2.532 -1.160 1.00 0.00 C ATOM 0 H ALA A 52 133.642 -1.362 -2.062 1.00 0.00 H new ATOM 0 HA ALA A 52 131.020 -1.391 -2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 52 130.757 -3.002 -0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 52 132.353 -3.206 -1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 52 132.205 -2.320 -0.205 1.00 0.00 H new ATOM 857 N PHE A 53 131.150 0.275 -0.059 1.00 0.00 N ATOM 858 CA PHE A 53 130.336 1.225 0.753 1.00 0.00 C ATOM 859 C PHE A 53 129.859 2.390 -0.123 1.00 0.00 C ATOM 860 O PHE A 53 128.683 2.687 -0.191 1.00 0.00 O ATOM 861 CB PHE A 53 131.289 1.716 1.851 1.00 0.00 C ATOM 862 CG PHE A 53 130.845 3.068 2.354 1.00 0.00 C ATOM 863 CD1 PHE A 53 129.549 3.237 2.851 1.00 0.00 C ATOM 864 CD2 PHE A 53 131.729 4.151 2.316 1.00 0.00 C ATOM 865 CE1 PHE A 53 129.135 4.492 3.311 1.00 0.00 C ATOM 866 CE2 PHE A 53 131.317 5.408 2.776 1.00 0.00 C ATOM 867 CZ PHE A 53 130.019 5.577 3.273 1.00 0.00 C ATOM 0 H PHE A 53 132.091 0.098 0.293 1.00 0.00 H new ATOM 0 HA PHE A 53 129.442 0.763 1.171 1.00 0.00 H new ATOM 0 HB2 PHE A 53 131.308 1.001 2.674 1.00 0.00 H new ATOM 0 HB3 PHE A 53 132.305 1.780 1.461 1.00 0.00 H new ATOM 0 HD1 PHE A 53 128.868 2.399 2.880 1.00 0.00 H new ATOM 0 HD2 PHE A 53 132.730 4.018 1.932 1.00 0.00 H new ATOM 0 HE1 PHE A 53 128.134 4.624 3.695 1.00 0.00 H new ATOM 0 HE2 PHE A 53 131.999 6.245 2.747 1.00 0.00 H new ATOM 0 HZ PHE A 53 129.699 6.546 3.628 1.00 0.00 H new ATOM 877 N SER A 54 130.763 3.055 -0.790 1.00 0.00 N ATOM 878 CA SER A 54 130.357 4.200 -1.655 1.00 0.00 C ATOM 879 C SER A 54 129.335 3.735 -2.694 1.00 0.00 C ATOM 880 O SER A 54 128.585 4.520 -3.237 1.00 0.00 O ATOM 881 CB SER A 54 131.645 4.660 -2.336 1.00 0.00 C ATOM 882 OG SER A 54 132.412 5.429 -1.419 1.00 0.00 O ATOM 0 H SER A 54 131.763 2.856 -0.774 1.00 0.00 H new ATOM 0 HA SER A 54 129.890 5.004 -1.086 1.00 0.00 H new ATOM 0 HB2 SER A 54 132.219 3.797 -2.674 1.00 0.00 H new ATOM 0 HB3 SER A 54 131.411 5.254 -3.220 1.00 0.00 H new ATOM 0 HG SER A 54 133.240 5.724 -1.852 1.00 0.00 H new ATOM 888 N GLU A 55 129.305 2.461 -2.976 1.00 0.00 N ATOM 889 CA GLU A 55 128.336 1.940 -3.980 1.00 0.00 C ATOM 890 C GLU A 55 127.013 1.571 -3.297 1.00 0.00 C ATOM 891 O GLU A 55 125.966 1.552 -3.916 1.00 0.00 O ATOM 892 CB GLU A 55 129.006 0.693 -4.563 1.00 0.00 C ATOM 893 CG GLU A 55 130.426 1.035 -5.027 1.00 0.00 C ATOM 894 CD GLU A 55 130.417 1.323 -6.529 1.00 0.00 C ATOM 895 OE1 GLU A 55 129.355 1.231 -7.123 1.00 0.00 O ATOM 896 OE2 GLU A 55 131.470 1.632 -7.060 1.00 0.00 O ATOM 0 H GLU A 55 129.911 1.758 -2.553 1.00 0.00 H new ATOM 0 HA GLU A 55 128.101 2.675 -4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 55 129.039 -0.097 -3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 55 128.421 0.313 -5.401 1.00 0.00 H new ATOM 0 HG2 GLU A 55 130.799 1.902 -4.482 1.00 0.00 H new ATOM 0 HG3 GLU A 55 131.101 0.207 -4.809 1.00 0.00 H new ATOM 903 N ILE A 56 127.057 1.278 -2.026 1.00 0.00 N ATOM 904 CA ILE A 56 125.810 0.906 -1.296 1.00 0.00 C ATOM 905 C ILE A 56 125.007 2.163 -0.944 1.00 0.00 C ATOM 906 O ILE A 56 123.957 2.415 -1.501 1.00 0.00 O ATOM 907 CB ILE A 56 126.302 0.198 -0.030 1.00 0.00 C ATOM 908 CG1 ILE A 56 126.683 -1.244 -0.375 1.00 0.00 C ATOM 909 CG2 ILE A 56 125.199 0.192 1.030 1.00 0.00 C ATOM 910 CD1 ILE A 56 127.977 -1.618 0.350 1.00 0.00 C ATOM 0 H ILE A 56 127.905 1.280 -1.459 1.00 0.00 H new ATOM 0 HA ILE A 56 125.149 0.272 -1.888 1.00 0.00 H new ATOM 0 HB ILE A 56 127.170 0.727 0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 56 125.881 -1.923 -0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 56 126.814 -1.349 -1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 56 125.558 -0.314 1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 56 124.926 1.218 1.277 1.00 0.00 H new ATOM 0 HG23 ILE A 56 124.325 -0.333 0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 56 128.248 -2.645 0.104 1.00 0.00 H new ATOM 0 HD12 ILE A 56 128.777 -0.947 0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 56 127.830 -1.529 1.426 1.00 0.00 H new ATOM 922 N MET A 57 125.494 2.955 -0.028 1.00 0.00 N ATOM 923 CA MET A 57 124.758 4.196 0.349 1.00 0.00 C ATOM 924 C MET A 57 124.307 4.933 -0.912 1.00 0.00 C ATOM 925 O MET A 57 123.226 5.485 -0.967 1.00 0.00 O ATOM 926 CB MET A 57 125.772 5.036 1.125 1.00 0.00 C ATOM 927 CG MET A 57 125.766 4.615 2.596 1.00 0.00 C ATOM 928 SD MET A 57 125.962 6.079 3.643 1.00 0.00 S ATOM 929 CE MET A 57 124.229 6.602 3.631 1.00 0.00 C ATOM 0 H MET A 57 126.367 2.797 0.475 1.00 0.00 H new ATOM 0 HA MET A 57 123.865 3.989 0.939 1.00 0.00 H new ATOM 0 HB2 MET A 57 126.768 4.905 0.702 1.00 0.00 H new ATOM 0 HB3 MET A 57 125.526 6.094 1.038 1.00 0.00 H new ATOM 0 HG2 MET A 57 124.833 4.105 2.836 1.00 0.00 H new ATOM 0 HG3 MET A 57 126.573 3.908 2.786 1.00 0.00 H new ATOM 0 HE1 MET A 57 124.143 7.587 4.090 1.00 0.00 H new ATOM 0 HE2 MET A 57 123.870 6.649 2.603 1.00 0.00 H new ATOM 0 HE3 MET A 57 123.629 5.886 4.193 1.00 0.00 H new ATOM 939 N SER A 58 125.127 4.944 -1.926 1.00 0.00 N ATOM 940 CA SER A 58 124.744 5.642 -3.187 1.00 0.00 C ATOM 941 C SER A 58 123.399 5.113 -3.692 1.00 0.00 C ATOM 942 O SER A 58 122.432 5.841 -3.787 1.00 0.00 O ATOM 943 CB SER A 58 125.858 5.309 -4.178 1.00 0.00 C ATOM 944 OG SER A 58 125.370 5.466 -5.503 1.00 0.00 O ATOM 0 H SER A 58 126.045 4.500 -1.937 1.00 0.00 H new ATOM 0 HA SER A 58 124.632 6.717 -3.048 1.00 0.00 H new ATOM 0 HB2 SER A 58 126.714 5.963 -4.014 1.00 0.00 H new ATOM 0 HB3 SER A 58 126.204 4.287 -4.024 1.00 0.00 H new ATOM 0 HG SER A 58 126.083 5.255 -6.141 1.00 0.00 H new ATOM 950 N MET A 59 123.330 3.848 -4.013 1.00 0.00 N ATOM 951 CA MET A 59 122.044 3.278 -4.506 1.00 0.00 C ATOM 952 C MET A 59 120.948 3.473 -3.454 1.00 0.00 C ATOM 953 O MET A 59 119.772 3.485 -3.760 1.00 0.00 O ATOM 954 CB MET A 59 122.324 1.790 -4.718 1.00 0.00 C ATOM 955 CG MET A 59 122.657 1.539 -6.190 1.00 0.00 C ATOM 956 SD MET A 59 124.389 1.962 -6.499 1.00 0.00 S ATOM 957 CE MET A 59 124.086 3.346 -7.627 1.00 0.00 C ATOM 0 H MET A 59 124.106 3.188 -3.955 1.00 0.00 H new ATOM 0 HA MET A 59 121.700 3.761 -5.421 1.00 0.00 H new ATOM 0 HB2 MET A 59 123.154 1.472 -4.087 1.00 0.00 H new ATOM 0 HB3 MET A 59 121.456 1.200 -4.425 1.00 0.00 H new ATOM 0 HG2 MET A 59 122.477 0.494 -6.441 1.00 0.00 H new ATOM 0 HG3 MET A 59 122.006 2.137 -6.828 1.00 0.00 H new ATOM 0 HE1 MET A 59 125.038 3.767 -7.950 1.00 0.00 H new ATOM 0 HE2 MET A 59 123.532 2.992 -8.497 1.00 0.00 H new ATOM 0 HE3 MET A 59 123.505 4.113 -7.114 1.00 0.00 H new ATOM 967 N ILE A 60 121.328 3.631 -2.215 1.00 0.00 N ATOM 968 CA ILE A 60 120.314 3.832 -1.141 1.00 0.00 C ATOM 969 C ILE A 60 119.733 5.250 -1.232 1.00 0.00 C ATOM 970 O ILE A 60 118.585 5.483 -0.912 1.00 0.00 O ATOM 971 CB ILE A 60 121.092 3.603 0.170 1.00 0.00 C ATOM 972 CG1 ILE A 60 120.812 2.187 0.680 1.00 0.00 C ATOM 973 CG2 ILE A 60 120.670 4.615 1.242 1.00 0.00 C ATOM 974 CD1 ILE A 60 122.117 1.539 1.147 1.00 0.00 C ATOM 0 H ILE A 60 122.298 3.630 -1.900 1.00 0.00 H new ATOM 0 HA ILE A 60 119.462 3.156 -1.216 1.00 0.00 H new ATOM 0 HB ILE A 60 122.156 3.732 -0.031 1.00 0.00 H new ATOM 0 HG12 ILE A 60 120.097 2.221 1.502 1.00 0.00 H new ATOM 0 HG13 ILE A 60 120.360 1.588 -0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 60 121.233 4.432 2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 60 120.872 5.626 0.888 1.00 0.00 H new ATOM 0 HG23 ILE A 60 119.604 4.507 1.444 1.00 0.00 H new ATOM 0 HD11 ILE A 60 121.914 0.531 1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 60 122.818 1.490 0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 60 122.551 2.133 1.951 1.00 0.00 H new ATOM 986 N TRP A 61 120.518 6.198 -1.669 1.00 0.00 N ATOM 987 CA TRP A 61 120.010 7.597 -1.781 1.00 0.00 C ATOM 988 C TRP A 61 119.108 7.737 -3.011 1.00 0.00 C ATOM 989 O TRP A 61 117.932 8.020 -2.902 1.00 0.00 O ATOM 990 CB TRP A 61 121.261 8.461 -1.936 1.00 0.00 C ATOM 991 CG TRP A 61 121.983 8.536 -0.630 1.00 0.00 C ATOM 992 CD1 TRP A 61 123.304 8.295 -0.459 1.00 0.00 C ATOM 993 CD2 TRP A 61 121.455 8.871 0.686 1.00 0.00 C ATOM 994 NE1 TRP A 61 123.619 8.459 0.878 1.00 0.00 N ATOM 995 CE2 TRP A 61 122.512 8.815 1.624 1.00 0.00 C ATOM 996 CE3 TRP A 61 120.172 9.214 1.153 1.00 0.00 C ATOM 997 CZ2 TRP A 61 122.306 9.089 2.977 1.00 0.00 C ATOM 998 CZ3 TRP A 61 119.961 9.490 2.514 1.00 0.00 C ATOM 999 CH2 TRP A 61 121.026 9.428 3.423 1.00 0.00 C ATOM 0 H TRP A 61 121.489 6.065 -1.953 1.00 0.00 H new ATOM 0 HA TRP A 61 119.415 7.890 -0.916 1.00 0.00 H new ATOM 0 HB2 TRP A 61 121.914 8.040 -2.700 1.00 0.00 H new ATOM 0 HB3 TRP A 61 120.985 9.462 -2.269 1.00 0.00 H new ATOM 0 HD1 TRP A 61 123.999 8.020 -1.239 1.00 0.00 H new ATOM 0 HE1 TRP A 61 124.554 8.333 1.266 1.00 0.00 H new ATOM 0 HE3 TRP A 61 119.345 9.265 0.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 123.130 9.039 3.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 118.973 9.751 2.862 1.00 0.00 H new ATOM 0 HH2 TRP A 61 120.857 9.642 4.468 1.00 0.00 H new ATOM 1010 N LYS A 62 119.653 7.545 -4.180 1.00 0.00 N ATOM 1011 CA LYS A 62 118.828 7.671 -5.417 1.00 0.00 C ATOM 1012 C LYS A 62 117.486 6.955 -5.239 1.00 0.00 C ATOM 1013 O LYS A 62 116.444 7.478 -5.580 1.00 0.00 O ATOM 1014 CB LYS A 62 119.655 6.996 -6.512 1.00 0.00 C ATOM 1015 CG LYS A 62 120.722 7.968 -7.018 1.00 0.00 C ATOM 1016 CD LYS A 62 122.042 7.222 -7.216 1.00 0.00 C ATOM 1017 CE LYS A 62 122.635 7.585 -8.579 1.00 0.00 C ATOM 1018 NZ LYS A 62 122.536 9.070 -8.654 1.00 0.00 N ATOM 0 H LYS A 62 120.633 7.307 -4.334 1.00 0.00 H new ATOM 0 HA LYS A 62 118.601 8.710 -5.657 1.00 0.00 H new ATOM 0 HB2 LYS A 62 120.126 6.093 -6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 62 119.008 6.689 -7.334 1.00 0.00 H new ATOM 0 HG2 LYS A 62 120.402 8.418 -7.958 1.00 0.00 H new ATOM 0 HG3 LYS A 62 120.856 8.781 -6.305 1.00 0.00 H new ATOM 0 HD2 LYS A 62 122.742 7.483 -6.422 1.00 0.00 H new ATOM 0 HD3 LYS A 62 121.877 6.146 -7.154 1.00 0.00 H new ATOM 0 HE2 LYS A 62 123.670 7.253 -8.661 1.00 0.00 H new ATOM 0 HE3 LYS A 62 122.083 7.110 -9.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 123.358 9.447 -9.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 121.664 9.335 -9.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 122.517 9.466 -7.692 1.00 0.00 H new ATOM 1032 N ARG A 63 117.504 5.763 -4.708 1.00 0.00 N ATOM 1033 CA ARG A 63 116.228 5.014 -4.511 1.00 0.00 C ATOM 1034 C ARG A 63 115.388 5.671 -3.412 1.00 0.00 C ATOM 1035 O ARG A 63 114.174 5.677 -3.465 1.00 0.00 O ATOM 1036 CB ARG A 63 116.655 3.609 -4.088 1.00 0.00 C ATOM 1037 CG ARG A 63 117.487 2.970 -5.202 1.00 0.00 C ATOM 1038 CD ARG A 63 116.581 2.638 -6.389 1.00 0.00 C ATOM 1039 NE ARG A 63 117.513 2.341 -7.512 1.00 0.00 N ATOM 1040 CZ ARG A 63 117.080 2.362 -8.742 1.00 0.00 C ATOM 1041 NH1 ARG A 63 115.844 2.036 -9.004 1.00 0.00 N ATOM 1042 NH2 ARG A 63 117.882 2.709 -9.711 1.00 0.00 N ATOM 0 H ARG A 63 118.346 5.275 -4.402 1.00 0.00 H new ATOM 0 HA ARG A 63 115.616 5.002 -5.413 1.00 0.00 H new ATOM 0 HB2 ARG A 63 117.236 3.656 -3.167 1.00 0.00 H new ATOM 0 HB3 ARG A 63 115.777 2.998 -3.880 1.00 0.00 H new ATOM 0 HG2 ARG A 63 118.279 3.650 -5.515 1.00 0.00 H new ATOM 0 HG3 ARG A 63 117.971 2.065 -4.836 1.00 0.00 H new ATOM 0 HD2 ARG A 63 115.941 1.783 -6.170 1.00 0.00 H new ATOM 0 HD3 ARG A 63 115.925 3.474 -6.631 1.00 0.00 H new ATOM 0 HE ARG A 63 118.490 2.121 -7.319 1.00 0.00 H new ATOM 0 HH11 ARG A 63 115.217 1.765 -8.247 1.00 0.00 H new ATOM 0 HH12 ARG A 63 115.505 2.052 -9.966 1.00 0.00 H new ATOM 0 HH21 ARG A 63 118.848 2.964 -9.507 1.00 0.00 H new ATOM 0 HH22 ARG A 63 117.543 2.725 -10.673 1.00 0.00 H new ATOM 1056 N LEU A 64 116.024 6.220 -2.414 1.00 0.00 N ATOM 1057 CA LEU A 64 115.262 6.873 -1.310 1.00 0.00 C ATOM 1058 C LEU A 64 114.361 7.977 -1.864 1.00 0.00 C ATOM 1059 O LEU A 64 113.407 8.387 -1.235 1.00 0.00 O ATOM 1060 CB LEU A 64 116.325 7.474 -0.395 1.00 0.00 C ATOM 1061 CG LEU A 64 116.608 6.512 0.759 1.00 0.00 C ATOM 1062 CD1 LEU A 64 117.817 7.009 1.554 1.00 0.00 C ATOM 1063 CD2 LEU A 64 115.384 6.444 1.675 1.00 0.00 C ATOM 0 H LEU A 64 117.039 6.245 -2.314 1.00 0.00 H new ATOM 0 HA LEU A 64 114.618 6.166 -0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 64 117.239 7.663 -0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 64 115.985 8.434 -0.007 1.00 0.00 H new ATOM 0 HG LEU A 64 116.821 5.519 0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 64 118.018 6.323 2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 64 118.688 7.057 0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.607 8.002 1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 64 115.584 5.759 2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 64 115.171 7.436 2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 64 114.524 6.088 1.107 1.00 0.00 H new ATOM 1075 N ASN A 65 114.659 8.465 -3.035 1.00 0.00 N ATOM 1076 CA ASN A 65 113.825 9.543 -3.622 1.00 0.00 C ATOM 1077 C ASN A 65 112.984 8.990 -4.774 1.00 0.00 C ATOM 1078 O ASN A 65 112.814 9.627 -5.794 1.00 0.00 O ATOM 1079 CB ASN A 65 114.822 10.585 -4.136 1.00 0.00 C ATOM 1080 CG ASN A 65 115.077 11.630 -3.048 1.00 0.00 C ATOM 1081 OD1 ASN A 65 116.099 11.603 -2.392 1.00 0.00 O ATOM 1082 ND2 ASN A 65 114.185 12.556 -2.828 1.00 0.00 N ATOM 0 H ASN A 65 115.445 8.162 -3.610 1.00 0.00 H new ATOM 0 HA ASN A 65 113.131 9.969 -2.897 1.00 0.00 H new ATOM 0 HB2 ASN A 65 115.758 10.101 -4.416 1.00 0.00 H new ATOM 0 HB3 ASN A 65 114.431 11.066 -5.032 1.00 0.00 H new ATOM 0 HD21 ASN A 65 114.346 13.257 -2.105 1.00 0.00 H new ATOM 0 HD22 ASN A 65 113.327 12.579 -3.379 1.00 0.00 H new ATOM 1161 N TRP A 71 106.609 4.687 -3.652 1.00 0.00 N ATOM 1162 CA TRP A 71 107.343 4.919 -2.376 1.00 0.00 C ATOM 1163 C TRP A 71 107.811 3.587 -1.785 1.00 0.00 C ATOM 1164 O TRP A 71 108.595 3.550 -0.858 1.00 0.00 O ATOM 1165 CB TRP A 71 106.328 5.593 -1.450 1.00 0.00 C ATOM 1166 CG TRP A 71 105.306 4.593 -1.011 1.00 0.00 C ATOM 1167 CD1 TRP A 71 104.141 4.343 -1.651 1.00 0.00 C ATOM 1168 CD2 TRP A 71 105.334 3.711 0.149 1.00 0.00 C ATOM 1169 NE1 TRP A 71 103.452 3.363 -0.958 1.00 0.00 N ATOM 1170 CE2 TRP A 71 104.146 2.942 0.158 1.00 0.00 C ATOM 1171 CE3 TRP A 71 106.265 3.505 1.183 1.00 0.00 C ATOM 1172 CZ2 TRP A 71 103.891 2.002 1.158 1.00 0.00 C ATOM 1173 CZ3 TRP A 71 106.012 2.561 2.191 1.00 0.00 C ATOM 1174 CH2 TRP A 71 104.826 1.811 2.178 1.00 0.00 C ATOM 0 HA TRP A 71 108.233 5.532 -2.517 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.836 6.013 -0.582 1.00 0.00 H new ATOM 0 HB3 TRP A 71 105.843 6.421 -1.967 1.00 0.00 H new ATOM 0 HD1 TRP A 71 103.804 4.829 -2.555 1.00 0.00 H new ATOM 0 HE1 TRP A 71 102.542 2.997 -1.238 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.181 4.077 1.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 102.977 1.426 1.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 106.734 2.411 2.980 1.00 0.00 H new ATOM 0 HH2 TRP A 71 104.636 1.087 2.956 1.00 0.00 H new ATOM 1185 N ARG A 72 107.337 2.493 -2.315 1.00 0.00 N ATOM 1186 CA ARG A 72 107.757 1.166 -1.782 1.00 0.00 C ATOM 1187 C ARG A 72 109.285 1.075 -1.747 1.00 0.00 C ATOM 1188 O ARG A 72 109.857 0.380 -0.930 1.00 0.00 O ATOM 1189 CB ARG A 72 107.175 0.143 -2.758 1.00 0.00 C ATOM 1190 CG ARG A 72 107.597 0.493 -4.187 1.00 0.00 C ATOM 1191 CD ARG A 72 108.514 -0.605 -4.731 1.00 0.00 C ATOM 1192 NE ARG A 72 107.627 -1.787 -4.915 1.00 0.00 N ATOM 1193 CZ ARG A 72 107.512 -2.339 -6.092 1.00 0.00 C ATOM 1194 NH1 ARG A 72 107.188 -1.611 -7.126 1.00 0.00 N ATOM 1195 NH2 ARG A 72 107.720 -3.619 -6.235 1.00 0.00 N ATOM 0 H ARG A 72 106.678 2.460 -3.093 1.00 0.00 H new ATOM 0 HA ARG A 72 107.406 0.997 -0.764 1.00 0.00 H new ATOM 0 HB2 ARG A 72 107.523 -0.858 -2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 72 106.088 0.132 -2.682 1.00 0.00 H new ATOM 0 HG2 ARG A 72 106.717 0.595 -4.823 1.00 0.00 H new ATOM 0 HG3 ARG A 72 108.113 1.453 -4.200 1.00 0.00 H new ATOM 0 HD2 ARG A 72 108.974 -0.305 -5.673 1.00 0.00 H new ATOM 0 HD3 ARG A 72 109.325 -0.823 -4.036 1.00 0.00 H new ATOM 0 HE ARG A 72 107.110 -2.165 -4.121 1.00 0.00 H new ATOM 0 HH11 ARG A 72 107.025 -0.610 -7.014 1.00 0.00 H new ATOM 0 HH12 ARG A 72 107.098 -2.043 -8.046 1.00 0.00 H new ATOM 0 HH21 ARG A 72 107.972 -4.188 -5.427 1.00 0.00 H new ATOM 0 HH22 ARG A 72 107.630 -4.051 -7.155 1.00 0.00 H new ATOM 1209 N HIS A 73 109.950 1.775 -2.625 1.00 0.00 N ATOM 1210 CA HIS A 73 111.439 1.731 -2.640 1.00 0.00 C ATOM 1211 C HIS A 73 112.001 2.612 -1.520 1.00 0.00 C ATOM 1212 O HIS A 73 113.009 2.299 -0.921 1.00 0.00 O ATOM 1213 CB HIS A 73 111.839 2.279 -4.010 1.00 0.00 C ATOM 1214 CG HIS A 73 112.499 1.191 -4.811 1.00 0.00 C ATOM 1215 ND1 HIS A 73 113.736 0.667 -4.470 1.00 0.00 N ATOM 1216 CD2 HIS A 73 112.105 0.514 -5.939 1.00 0.00 C ATOM 1217 CE1 HIS A 73 114.040 -0.280 -5.375 1.00 0.00 C ATOM 1218 NE2 HIS A 73 113.079 -0.414 -6.293 1.00 0.00 N ATOM 0 H HIS A 73 109.526 2.375 -3.332 1.00 0.00 H new ATOM 0 HA HIS A 73 111.826 0.725 -2.478 1.00 0.00 H new ATOM 0 HB2 HIS A 73 110.960 2.650 -4.536 1.00 0.00 H new ATOM 0 HB3 HIS A 73 112.519 3.122 -3.892 1.00 0.00 H new ATOM 0 HD2 HIS A 73 111.179 0.677 -6.471 1.00 0.00 H new ATOM 0 HE1 HIS A 73 114.950 -0.861 -5.361 1.00 0.00 H new ATOM 0 HE2 HIS A 73 113.063 -1.058 -7.084 1.00 0.00 H new ATOM 1226 N VAL A 74 111.353 3.707 -1.232 1.00 0.00 N ATOM 1227 CA VAL A 74 111.845 4.604 -0.146 1.00 0.00 C ATOM 1228 C VAL A 74 111.862 3.846 1.183 1.00 0.00 C ATOM 1229 O VAL A 74 112.874 3.763 1.848 1.00 0.00 O ATOM 1230 CB VAL A 74 110.836 5.753 -0.101 1.00 0.00 C ATOM 1231 CG1 VAL A 74 110.942 6.486 1.241 1.00 0.00 C ATOM 1232 CG2 VAL A 74 111.131 6.731 -1.241 1.00 0.00 C ATOM 0 H VAL A 74 110.503 4.020 -1.702 1.00 0.00 H new ATOM 0 HA VAL A 74 112.859 4.962 -0.322 1.00 0.00 H new ATOM 0 HB VAL A 74 109.828 5.353 -0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 74 110.221 7.303 1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 74 110.732 5.790 2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 74 111.949 6.887 1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 74 110.414 7.551 -1.212 1.00 0.00 H new ATOM 0 HG22 VAL A 74 112.140 7.127 -1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 74 111.050 6.212 -2.196 1.00 0.00 H new ATOM 1242 N TYR A 75 110.747 3.292 1.572 1.00 0.00 N ATOM 1243 CA TYR A 75 110.699 2.537 2.855 1.00 0.00 C ATOM 1244 C TYR A 75 111.813 1.490 2.884 1.00 0.00 C ATOM 1245 O TYR A 75 112.602 1.431 3.808 1.00 0.00 O ATOM 1246 CB TYR A 75 109.328 1.861 2.863 1.00 0.00 C ATOM 1247 CG TYR A 75 108.901 1.608 4.287 1.00 0.00 C ATOM 1248 CD1 TYR A 75 108.985 2.632 5.238 1.00 0.00 C ATOM 1249 CD2 TYR A 75 108.418 0.346 4.658 1.00 0.00 C ATOM 1250 CE1 TYR A 75 108.586 2.394 6.558 1.00 0.00 C ATOM 1251 CE2 TYR A 75 108.018 0.109 5.978 1.00 0.00 C ATOM 1252 CZ TYR A 75 108.104 1.133 6.928 1.00 0.00 C ATOM 1253 OH TYR A 75 107.710 0.900 8.230 1.00 0.00 O ATOM 0 H TYR A 75 109.867 3.330 1.057 1.00 0.00 H new ATOM 0 HA TYR A 75 110.840 3.180 3.724 1.00 0.00 H new ATOM 0 HB2 TYR A 75 108.596 2.493 2.359 1.00 0.00 H new ATOM 0 HB3 TYR A 75 109.371 0.921 2.312 1.00 0.00 H new ATOM 0 HD1 TYR A 75 109.357 3.605 4.953 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.354 -0.444 3.925 1.00 0.00 H new ATOM 0 HE1 TYR A 75 108.650 3.184 7.292 1.00 0.00 H new ATOM 0 HE2 TYR A 75 107.643 -0.863 6.263 1.00 0.00 H new ATOM 0 HH TYR A 75 107.400 -0.026 8.317 1.00 0.00 H new ATOM 1263 N LYS A 76 111.888 0.667 1.875 1.00 0.00 N ATOM 1264 CA LYS A 76 112.954 -0.373 1.838 1.00 0.00 C ATOM 1265 C LYS A 76 114.333 0.291 1.837 1.00 0.00 C ATOM 1266 O LYS A 76 115.317 -0.293 2.250 1.00 0.00 O ATOM 1267 CB LYS A 76 112.722 -1.128 0.529 1.00 0.00 C ATOM 1268 CG LYS A 76 112.616 -2.628 0.815 1.00 0.00 C ATOM 1269 CD LYS A 76 111.183 -2.968 1.228 1.00 0.00 C ATOM 1270 CE LYS A 76 111.196 -4.146 2.205 1.00 0.00 C ATOM 1271 NZ LYS A 76 110.290 -3.736 3.313 1.00 0.00 N ATOM 0 H LYS A 76 111.257 0.670 1.074 1.00 0.00 H new ATOM 0 HA LYS A 76 112.919 -1.036 2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 76 111.810 -0.773 0.049 1.00 0.00 H new ATOM 0 HB3 LYS A 76 113.542 -0.936 -0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 76 112.896 -3.199 -0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 76 113.310 -2.908 1.607 1.00 0.00 H new ATOM 0 HD2 LYS A 76 110.713 -2.102 1.693 1.00 0.00 H new ATOM 0 HD3 LYS A 76 110.590 -3.219 0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 76 110.845 -5.060 1.726 1.00 0.00 H new ATOM 0 HE3 LYS A 76 112.203 -4.344 2.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 110.247 -4.493 4.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 110.653 -2.867 3.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 109.337 -3.561 2.935 1.00 0.00 H new ATOM 1285 N ALA A 77 114.411 1.511 1.377 1.00 0.00 N ATOM 1286 CA ALA A 77 115.725 2.214 1.352 1.00 0.00 C ATOM 1287 C ALA A 77 116.112 2.648 2.764 1.00 0.00 C ATOM 1288 O ALA A 77 117.270 2.655 3.129 1.00 0.00 O ATOM 1289 CB ALA A 77 115.508 3.430 0.451 1.00 0.00 C ATOM 0 H ALA A 77 113.623 2.050 1.018 1.00 0.00 H new ATOM 0 HA ALA A 77 116.530 1.578 0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 77 116.434 4.001 0.382 1.00 0.00 H new ATOM 0 HB2 ALA A 77 115.211 3.097 -0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 77 114.724 4.059 0.872 1.00 0.00 H new ATOM 1295 N MET A 78 115.146 3.000 3.565 1.00 0.00 N ATOM 1296 CA MET A 78 115.452 3.424 4.960 1.00 0.00 C ATOM 1297 C MET A 78 115.989 2.230 5.749 1.00 0.00 C ATOM 1298 O MET A 78 116.792 2.376 6.649 1.00 0.00 O ATOM 1299 CB MET A 78 114.117 3.890 5.538 1.00 0.00 C ATOM 1300 CG MET A 78 113.406 4.788 4.524 1.00 0.00 C ATOM 1301 SD MET A 78 112.961 6.354 5.315 1.00 0.00 S ATOM 1302 CE MET A 78 111.229 6.392 4.791 1.00 0.00 C ATOM 0 H MET A 78 114.157 3.013 3.314 1.00 0.00 H new ATOM 0 HA MET A 78 116.205 4.211 5.003 1.00 0.00 H new ATOM 0 HB2 MET A 78 113.493 3.029 5.778 1.00 0.00 H new ATOM 0 HB3 MET A 78 114.282 4.434 6.468 1.00 0.00 H new ATOM 0 HG2 MET A 78 114.054 4.972 3.667 1.00 0.00 H new ATOM 0 HG3 MET A 78 112.512 4.292 4.146 1.00 0.00 H new ATOM 0 HE1 MET A 78 110.955 7.410 4.514 1.00 0.00 H new ATOM 0 HE2 MET A 78 111.094 5.733 3.933 1.00 0.00 H new ATOM 0 HE3 MET A 78 110.594 6.056 5.610 1.00 0.00 H new ATOM 1312 N THR A 79 115.550 1.050 5.413 1.00 0.00 N ATOM 1313 CA THR A 79 116.032 -0.158 6.136 1.00 0.00 C ATOM 1314 C THR A 79 117.517 -0.376 5.854 1.00 0.00 C ATOM 1315 O THR A 79 118.344 -0.302 6.738 1.00 0.00 O ATOM 1316 CB THR A 79 115.201 -1.313 5.578 1.00 0.00 C ATOM 1317 OG1 THR A 79 113.856 -0.887 5.410 1.00 0.00 O ATOM 1318 CG2 THR A 79 115.248 -2.495 6.547 1.00 0.00 C ATOM 0 H THR A 79 114.877 0.870 4.668 1.00 0.00 H new ATOM 0 HA THR A 79 115.923 -0.068 7.217 1.00 0.00 H new ATOM 0 HB THR A 79 115.608 -1.622 4.615 1.00 0.00 H new ATOM 0 HG1 THR A 79 113.321 -1.626 5.051 1.00 0.00 H new ATOM 0 HG21 THR A 79 114.655 -3.317 6.147 1.00 0.00 H new ATOM 0 HG22 THR A 79 116.280 -2.821 6.674 1.00 0.00 H new ATOM 0 HG23 THR A 79 114.842 -2.191 7.512 1.00 0.00 H new ATOM 1326 N LEU A 80 117.860 -0.639 4.628 1.00 0.00 N ATOM 1327 CA LEU A 80 119.296 -0.857 4.290 1.00 0.00 C ATOM 1328 C LEU A 80 120.158 0.238 4.922 1.00 0.00 C ATOM 1329 O LEU A 80 121.178 -0.033 5.525 1.00 0.00 O ATOM 1330 CB LEU A 80 119.366 -0.780 2.768 1.00 0.00 C ATOM 1331 CG LEU A 80 120.775 -1.156 2.316 1.00 0.00 C ATOM 1332 CD1 LEU A 80 121.141 -2.530 2.879 1.00 0.00 C ATOM 1333 CD2 LEU A 80 120.828 -1.199 0.787 1.00 0.00 C ATOM 0 H LEU A 80 117.212 -0.713 3.844 1.00 0.00 H new ATOM 0 HA LEU A 80 119.666 -1.811 4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 80 118.635 -1.455 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 80 119.118 0.226 2.430 1.00 0.00 H new ATOM 0 HG LEU A 80 121.484 -0.413 2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 80 122.147 -2.799 2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 80 121.105 -2.498 3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 80 120.432 -3.273 2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 80 121.834 -1.467 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 80 120.119 -1.941 0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 80 120.568 -0.219 0.386 1.00 0.00 H new ATOM 1345 N MET A 81 119.761 1.472 4.791 1.00 0.00 N ATOM 1346 CA MET A 81 120.566 2.577 5.387 1.00 0.00 C ATOM 1347 C MET A 81 120.749 2.347 6.889 1.00 0.00 C ATOM 1348 O MET A 81 121.823 2.527 7.426 1.00 0.00 O ATOM 1349 CB MET A 81 119.754 3.847 5.126 1.00 0.00 C ATOM 1350 CG MET A 81 120.301 4.988 5.985 1.00 0.00 C ATOM 1351 SD MET A 81 119.821 6.574 5.258 1.00 0.00 S ATOM 1352 CE MET A 81 120.886 6.485 3.799 1.00 0.00 C ATOM 0 H MET A 81 118.917 1.764 4.299 1.00 0.00 H new ATOM 0 HA MET A 81 121.565 2.641 4.955 1.00 0.00 H new ATOM 0 HB2 MET A 81 119.807 4.115 4.071 1.00 0.00 H new ATOM 0 HB3 MET A 81 118.703 3.674 5.359 1.00 0.00 H new ATOM 0 HG2 MET A 81 119.915 4.910 7.001 1.00 0.00 H new ATOM 0 HG3 MET A 81 121.387 4.920 6.051 1.00 0.00 H new ATOM 0 HE1 MET A 81 121.645 7.265 3.855 1.00 0.00 H new ATOM 0 HE2 MET A 81 121.370 5.509 3.761 1.00 0.00 H new ATOM 0 HE3 MET A 81 120.285 6.627 2.901 1.00 0.00 H new ATOM 1362 N GLU A 82 119.712 1.947 7.569 1.00 0.00 N ATOM 1363 CA GLU A 82 119.832 1.704 9.037 1.00 0.00 C ATOM 1364 C GLU A 82 120.718 0.482 9.304 1.00 0.00 C ATOM 1365 O GLU A 82 121.790 0.595 9.866 1.00 0.00 O ATOM 1366 CB GLU A 82 118.403 1.441 9.515 1.00 0.00 C ATOM 1367 CG GLU A 82 118.436 0.926 10.956 1.00 0.00 C ATOM 1368 CD GLU A 82 117.033 0.485 11.375 1.00 0.00 C ATOM 1369 OE1 GLU A 82 116.113 0.691 10.599 1.00 0.00 O ATOM 1370 OE2 GLU A 82 116.900 -0.052 12.461 1.00 0.00 O ATOM 0 H GLU A 82 118.787 1.777 7.175 1.00 0.00 H new ATOM 0 HA GLU A 82 120.288 2.547 9.556 1.00 0.00 H new ATOM 0 HB2 GLU A 82 117.814 2.357 9.458 1.00 0.00 H new ATOM 0 HB3 GLU A 82 117.920 0.710 8.867 1.00 0.00 H new ATOM 0 HG2 GLU A 82 119.131 0.090 11.038 1.00 0.00 H new ATOM 0 HG3 GLU A 82 118.797 1.708 11.624 1.00 0.00 H new ATOM 1377 N TYR A 83 120.274 -0.683 8.909 1.00 0.00 N ATOM 1378 CA TYR A 83 121.076 -1.922 9.136 1.00 0.00 C ATOM 1379 C TYR A 83 122.571 -1.644 8.949 1.00 0.00 C ATOM 1380 O TYR A 83 123.388 -2.024 9.763 1.00 0.00 O ATOM 1381 CB TYR A 83 120.585 -2.905 8.074 1.00 0.00 C ATOM 1382 CG TYR A 83 121.182 -4.266 8.337 1.00 0.00 C ATOM 1383 CD1 TYR A 83 120.561 -5.138 9.236 1.00 0.00 C ATOM 1384 CD2 TYR A 83 122.357 -4.653 7.682 1.00 0.00 C ATOM 1385 CE1 TYR A 83 121.116 -6.399 9.484 1.00 0.00 C ATOM 1386 CE2 TYR A 83 122.912 -5.915 7.928 1.00 0.00 C ATOM 1387 CZ TYR A 83 122.291 -6.788 8.829 1.00 0.00 C ATOM 1388 OH TYR A 83 122.837 -8.032 9.074 1.00 0.00 O ATOM 0 H TYR A 83 119.383 -0.830 8.435 1.00 0.00 H new ATOM 0 HA TYR A 83 120.953 -2.306 10.149 1.00 0.00 H new ATOM 0 HB2 TYR A 83 119.497 -2.963 8.092 1.00 0.00 H new ATOM 0 HB3 TYR A 83 120.869 -2.557 7.081 1.00 0.00 H new ATOM 0 HD1 TYR A 83 119.653 -4.839 9.739 1.00 0.00 H new ATOM 0 HD2 TYR A 83 122.835 -3.979 6.987 1.00 0.00 H new ATOM 0 HE1 TYR A 83 120.638 -7.072 10.181 1.00 0.00 H new ATOM 0 HE2 TYR A 83 123.818 -6.214 7.423 1.00 0.00 H new ATOM 0 HH TYR A 83 122.123 -8.663 9.302 1.00 0.00 H new ATOM 1398 N LEU A 84 122.931 -0.988 7.883 1.00 0.00 N ATOM 1399 CA LEU A 84 124.371 -0.692 7.645 1.00 0.00 C ATOM 1400 C LEU A 84 124.884 0.311 8.683 1.00 0.00 C ATOM 1401 O LEU A 84 125.956 0.154 9.235 1.00 0.00 O ATOM 1402 CB LEU A 84 124.421 -0.100 6.235 1.00 0.00 C ATOM 1403 CG LEU A 84 123.793 -1.091 5.251 1.00 0.00 C ATOM 1404 CD1 LEU A 84 123.701 -0.456 3.862 1.00 0.00 C ATOM 1405 CD2 LEU A 84 124.657 -2.353 5.180 1.00 0.00 C ATOM 0 H LEU A 84 122.292 -0.644 7.166 1.00 0.00 H new ATOM 0 HA LEU A 84 125.001 -1.577 7.733 1.00 0.00 H new ATOM 0 HB2 LEU A 84 123.885 0.849 6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 84 125.453 0.108 5.951 1.00 0.00 H new ATOM 0 HG LEU A 84 122.791 -1.352 5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 84 123.253 -1.166 3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 84 123.084 0.441 3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 84 124.700 -0.190 3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 84 124.212 -3.060 4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 84 125.659 -2.089 4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 84 124.716 -2.809 6.168 1.00 0.00 H new ATOM 1417 N ILE A 85 124.129 1.338 8.960 1.00 0.00 N ATOM 1418 CA ILE A 85 124.580 2.340 9.969 1.00 0.00 C ATOM 1419 C ILE A 85 125.068 1.621 11.230 1.00 0.00 C ATOM 1420 O ILE A 85 125.932 2.104 11.937 1.00 0.00 O ATOM 1421 CB ILE A 85 123.339 3.185 10.273 1.00 0.00 C ATOM 1422 CG1 ILE A 85 123.135 4.208 9.153 1.00 0.00 C ATOM 1423 CG2 ILE A 85 123.526 3.921 11.602 1.00 0.00 C ATOM 1424 CD1 ILE A 85 121.689 4.708 9.176 1.00 0.00 C ATOM 0 H ILE A 85 123.222 1.527 8.533 1.00 0.00 H new ATOM 0 HA ILE A 85 125.406 2.954 9.609 1.00 0.00 H new ATOM 0 HB ILE A 85 122.468 2.533 10.341 1.00 0.00 H new ATOM 0 HG12 ILE A 85 123.822 5.044 9.280 1.00 0.00 H new ATOM 0 HG13 ILE A 85 123.359 3.755 8.187 1.00 0.00 H new ATOM 0 HG21 ILE A 85 122.641 4.521 11.814 1.00 0.00 H new ATOM 0 HG22 ILE A 85 123.673 3.196 12.402 1.00 0.00 H new ATOM 0 HG23 ILE A 85 124.398 4.572 11.538 1.00 0.00 H new ATOM 0 HD11 ILE A 85 121.543 5.437 8.379 1.00 0.00 H new ATOM 0 HD12 ILE A 85 121.011 3.867 9.028 1.00 0.00 H new ATOM 0 HD13 ILE A 85 121.481 5.177 10.138 1.00 0.00 H new ATOM 1436 N LYS A 86 124.523 0.470 11.515 1.00 0.00 N ATOM 1437 CA LYS A 86 124.955 -0.283 12.728 1.00 0.00 C ATOM 1438 C LYS A 86 126.038 -1.301 12.358 1.00 0.00 C ATOM 1439 O LYS A 86 127.198 -1.130 12.675 1.00 0.00 O ATOM 1440 CB LYS A 86 123.695 -0.996 13.219 1.00 0.00 C ATOM 1441 CG LYS A 86 123.550 -0.798 14.730 1.00 0.00 C ATOM 1442 CD LYS A 86 122.955 -2.061 15.356 1.00 0.00 C ATOM 1443 CE LYS A 86 123.903 -3.241 15.122 1.00 0.00 C ATOM 1444 NZ LYS A 86 124.383 -3.624 16.480 1.00 0.00 N ATOM 0 H LYS A 86 123.796 0.018 10.960 1.00 0.00 H new ATOM 0 HA LYS A 86 125.379 0.369 13.492 1.00 0.00 H new ATOM 0 HB2 LYS A 86 122.818 -0.603 12.705 1.00 0.00 H new ATOM 0 HB3 LYS A 86 123.752 -2.059 12.985 1.00 0.00 H new ATOM 0 HG2 LYS A 86 124.522 -0.582 15.174 1.00 0.00 H new ATOM 0 HG3 LYS A 86 122.909 0.059 14.935 1.00 0.00 H new ATOM 0 HD2 LYS A 86 122.799 -1.912 16.424 1.00 0.00 H new ATOM 0 HD3 LYS A 86 121.979 -2.272 14.918 1.00 0.00 H new ATOM 0 HE2 LYS A 86 123.389 -4.070 14.637 1.00 0.00 H new ATOM 0 HE3 LYS A 86 124.733 -2.958 14.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 125.039 -4.428 16.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 124.874 -2.817 16.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 123.572 -3.895 17.071 1.00 0.00 H new ATOM 1458 N THR A 87 125.667 -2.359 11.688 1.00 0.00 N ATOM 1459 CA THR A 87 126.676 -3.386 11.299 1.00 0.00 C ATOM 1460 C THR A 87 127.378 -2.970 10.003 1.00 0.00 C ATOM 1461 O THR A 87 128.510 -3.334 9.753 1.00 0.00 O ATOM 1462 CB THR A 87 125.874 -4.672 11.089 1.00 0.00 C ATOM 1463 OG1 THR A 87 126.764 -5.777 11.019 1.00 0.00 O ATOM 1464 CG2 THR A 87 125.076 -4.572 9.787 1.00 0.00 C ATOM 0 H THR A 87 124.711 -2.556 11.394 1.00 0.00 H new ATOM 0 HA THR A 87 127.452 -3.511 12.054 1.00 0.00 H new ATOM 0 HB THR A 87 125.186 -4.812 11.923 1.00 0.00 H new ATOM 0 HG1 THR A 87 126.252 -6.602 10.886 1.00 0.00 H new ATOM 0 HG21 THR A 87 124.505 -5.489 9.639 1.00 0.00 H new ATOM 0 HG22 THR A 87 124.393 -3.724 9.843 1.00 0.00 H new ATOM 0 HG23 THR A 87 125.761 -4.432 8.951 1.00 0.00 H new ATOM 1472 N GLY A 88 126.715 -2.209 9.178 1.00 0.00 N ATOM 1473 CA GLY A 88 127.343 -1.768 7.900 1.00 0.00 C ATOM 1474 C GLY A 88 128.782 -1.322 8.166 1.00 0.00 C ATOM 1475 O GLY A 88 129.715 -2.090 8.032 1.00 0.00 O ATOM 0 H GLY A 88 125.765 -1.873 9.333 1.00 0.00 H new ATOM 0 HA2 GLY A 88 127.332 -2.583 7.177 1.00 0.00 H new ATOM 0 HA3 GLY A 88 126.771 -0.948 7.465 1.00 0.00 H new ATOM 1479 N SER A 89 128.972 -0.087 8.543 1.00 0.00 N ATOM 1480 CA SER A 89 130.354 0.403 8.816 1.00 0.00 C ATOM 1481 C SER A 89 130.316 1.841 9.341 1.00 0.00 C ATOM 1482 O SER A 89 129.397 2.588 9.076 1.00 0.00 O ATOM 1483 CB SER A 89 131.068 0.343 7.467 1.00 0.00 C ATOM 1484 OG SER A 89 132.060 1.361 7.416 1.00 0.00 O ATOM 0 H SER A 89 128.232 0.603 8.674 1.00 0.00 H new ATOM 0 HA SER A 89 130.861 -0.195 9.573 1.00 0.00 H new ATOM 0 HB2 SER A 89 131.527 -0.636 7.329 1.00 0.00 H new ATOM 0 HB3 SER A 89 130.351 0.476 6.657 1.00 0.00 H new ATOM 0 HG SER A 89 132.522 1.325 6.552 1.00 0.00 H new ATOM 1490 N GLU A 90 131.312 2.232 10.085 1.00 0.00 N ATOM 1491 CA GLU A 90 131.342 3.619 10.633 1.00 0.00 C ATOM 1492 C GLU A 90 131.027 4.637 9.538 1.00 0.00 C ATOM 1493 O GLU A 90 130.261 5.560 9.731 1.00 0.00 O ATOM 1494 CB GLU A 90 132.771 3.812 11.135 1.00 0.00 C ATOM 1495 CG GLU A 90 133.760 3.469 10.018 1.00 0.00 C ATOM 1496 CD GLU A 90 135.165 3.326 10.605 1.00 0.00 C ATOM 1497 OE1 GLU A 90 135.712 4.329 11.031 1.00 0.00 O ATOM 1498 OE2 GLU A 90 135.668 2.214 10.619 1.00 0.00 O ATOM 0 H GLU A 90 132.110 1.650 10.339 1.00 0.00 H new ATOM 0 HA GLU A 90 130.602 3.762 11.420 1.00 0.00 H new ATOM 0 HB2 GLU A 90 132.917 4.842 11.460 1.00 0.00 H new ATOM 0 HB3 GLU A 90 132.951 3.176 12.002 1.00 0.00 H new ATOM 0 HG2 GLU A 90 133.463 2.542 9.528 1.00 0.00 H new ATOM 0 HG3 GLU A 90 133.750 4.249 9.257 1.00 0.00 H new ATOM 1505 N ARG A 91 131.620 4.477 8.393 1.00 0.00 N ATOM 1506 CA ARG A 91 131.368 5.436 7.278 1.00 0.00 C ATOM 1507 C ARG A 91 129.884 5.451 6.921 1.00 0.00 C ATOM 1508 O ARG A 91 129.293 6.492 6.714 1.00 0.00 O ATOM 1509 CB ARG A 91 132.193 4.908 6.105 1.00 0.00 C ATOM 1510 CG ARG A 91 133.614 4.599 6.576 1.00 0.00 C ATOM 1511 CD ARG A 91 134.599 4.876 5.438 1.00 0.00 C ATOM 1512 NE ARG A 91 135.790 5.476 6.099 1.00 0.00 N ATOM 1513 CZ ARG A 91 136.849 5.764 5.394 1.00 0.00 C ATOM 1514 NH1 ARG A 91 137.449 4.831 4.706 1.00 0.00 N ATOM 1515 NH2 ARG A 91 137.311 6.984 5.379 1.00 0.00 N ATOM 0 H ARG A 91 132.271 3.722 8.176 1.00 0.00 H new ATOM 0 HA ARG A 91 131.643 6.457 7.543 1.00 0.00 H new ATOM 0 HB2 ARG A 91 131.731 4.009 5.697 1.00 0.00 H new ATOM 0 HB3 ARG A 91 132.217 5.646 5.303 1.00 0.00 H new ATOM 0 HG2 ARG A 91 133.862 5.211 7.443 1.00 0.00 H new ATOM 0 HG3 ARG A 91 133.687 3.557 6.889 1.00 0.00 H new ATOM 0 HD2 ARG A 91 134.860 3.959 4.910 1.00 0.00 H new ATOM 0 HD3 ARG A 91 134.171 5.557 4.702 1.00 0.00 H new ATOM 0 HE ARG A 91 135.778 5.662 7.102 1.00 0.00 H new ATOM 0 HH11 ARG A 91 137.090 3.876 4.720 1.00 0.00 H new ATOM 0 HH12 ARG A 91 138.277 5.056 4.155 1.00 0.00 H new ATOM 0 HH21 ARG A 91 136.844 7.713 5.919 1.00 0.00 H new ATOM 0 HH22 ARG A 91 138.139 7.209 4.828 1.00 0.00 H new ATOM 1529 N VAL A 92 129.276 4.302 6.850 1.00 0.00 N ATOM 1530 CA VAL A 92 127.829 4.246 6.509 1.00 0.00 C ATOM 1531 C VAL A 92 127.038 5.160 7.448 1.00 0.00 C ATOM 1532 O VAL A 92 125.975 5.643 7.112 1.00 0.00 O ATOM 1533 CB VAL A 92 127.439 2.783 6.713 1.00 0.00 C ATOM 1534 CG1 VAL A 92 125.918 2.668 6.821 1.00 0.00 C ATOM 1535 CG2 VAL A 92 127.929 1.955 5.521 1.00 0.00 C ATOM 0 H VAL A 92 129.719 3.398 7.014 1.00 0.00 H new ATOM 0 HA VAL A 92 127.620 4.582 5.493 1.00 0.00 H new ATOM 0 HB VAL A 92 127.896 2.410 7.630 1.00 0.00 H new ATOM 0 HG11 VAL A 92 125.641 1.624 6.966 1.00 0.00 H new ATOM 0 HG12 VAL A 92 125.568 3.258 7.668 1.00 0.00 H new ATOM 0 HG13 VAL A 92 125.459 3.041 5.905 1.00 0.00 H new ATOM 0 HG21 VAL A 92 127.652 0.911 5.665 1.00 0.00 H new ATOM 0 HG22 VAL A 92 127.471 2.329 4.605 1.00 0.00 H new ATOM 0 HG23 VAL A 92 129.013 2.035 5.444 1.00 0.00 H new ATOM 1545 N SER A 93 127.554 5.405 8.621 1.00 0.00 N ATOM 1546 CA SER A 93 126.839 6.294 9.582 1.00 0.00 C ATOM 1547 C SER A 93 127.299 7.743 9.399 1.00 0.00 C ATOM 1548 O SER A 93 126.527 8.671 9.538 1.00 0.00 O ATOM 1549 CB SER A 93 127.230 5.778 10.966 1.00 0.00 C ATOM 1550 OG SER A 93 126.713 6.654 11.958 1.00 0.00 O ATOM 0 H SER A 93 128.440 5.028 8.956 1.00 0.00 H new ATOM 0 HA SER A 93 125.759 6.281 9.434 1.00 0.00 H new ATOM 0 HB2 SER A 93 126.840 4.771 11.115 1.00 0.00 H new ATOM 0 HB3 SER A 93 128.315 5.715 11.050 1.00 0.00 H new ATOM 0 HG SER A 93 126.961 6.324 12.847 1.00 0.00 H new ATOM 1556 N GLN A 94 128.550 7.943 9.085 1.00 0.00 N ATOM 1557 CA GLN A 94 129.055 9.334 8.892 1.00 0.00 C ATOM 1558 C GLN A 94 128.313 10.004 7.738 1.00 0.00 C ATOM 1559 O GLN A 94 127.764 11.078 7.880 1.00 0.00 O ATOM 1560 CB GLN A 94 130.540 9.180 8.562 1.00 0.00 C ATOM 1561 CG GLN A 94 131.250 8.462 9.711 1.00 0.00 C ATOM 1562 CD GLN A 94 132.028 9.481 10.546 1.00 0.00 C ATOM 1563 OE1 GLN A 94 132.085 10.646 10.206 1.00 0.00 O ATOM 1564 NE2 GLN A 94 132.636 9.089 11.632 1.00 0.00 N ATOM 0 H GLN A 94 129.243 7.206 8.954 1.00 0.00 H new ATOM 0 HA GLN A 94 128.901 9.956 9.774 1.00 0.00 H new ATOM 0 HB2 GLN A 94 130.661 8.615 7.637 1.00 0.00 H new ATOM 0 HB3 GLN A 94 130.990 10.159 8.399 1.00 0.00 H new ATOM 0 HG2 GLN A 94 130.522 7.944 10.335 1.00 0.00 H new ATOM 0 HG3 GLN A 94 131.928 7.705 9.317 1.00 0.00 H new ATOM 0 HE21 GLN A 94 132.589 8.111 11.918 1.00 0.00 H new ATOM 0 HE22 GLN A 94 133.159 9.760 12.195 1.00 0.00 H new ATOM 1573 N GLN A 95 128.285 9.375 6.599 1.00 0.00 N ATOM 1574 CA GLN A 95 127.565 9.976 5.442 1.00 0.00 C ATOM 1575 C GLN A 95 126.093 10.157 5.804 1.00 0.00 C ATOM 1576 O GLN A 95 125.472 11.142 5.461 1.00 0.00 O ATOM 1577 CB GLN A 95 127.721 8.970 4.302 1.00 0.00 C ATOM 1578 CG GLN A 95 126.745 9.322 3.178 1.00 0.00 C ATOM 1579 CD GLN A 95 127.319 8.860 1.838 1.00 0.00 C ATOM 1580 OE1 GLN A 95 127.715 7.721 1.694 1.00 0.00 O ATOM 1581 NE2 GLN A 95 127.379 9.702 0.843 1.00 0.00 N ATOM 0 H GLN A 95 128.727 8.474 6.418 1.00 0.00 H new ATOM 0 HA GLN A 95 127.958 10.954 5.164 1.00 0.00 H new ATOM 0 HB2 GLN A 95 128.745 8.984 3.928 1.00 0.00 H new ATOM 0 HB3 GLN A 95 127.527 7.960 4.664 1.00 0.00 H new ATOM 0 HG2 GLN A 95 125.781 8.845 3.356 1.00 0.00 H new ATOM 0 HG3 GLN A 95 126.569 10.398 3.159 1.00 0.00 H new ATOM 0 HE21 GLN A 95 127.046 10.659 0.964 1.00 0.00 H new ATOM 0 HE22 GLN A 95 127.758 9.403 -0.056 1.00 0.00 H new ATOM 1590 N CYS A 96 125.530 9.219 6.513 1.00 0.00 N ATOM 1591 CA CYS A 96 124.104 9.355 6.909 1.00 0.00 C ATOM 1592 C CYS A 96 123.919 10.674 7.659 1.00 0.00 C ATOM 1593 O CYS A 96 122.872 11.287 7.616 1.00 0.00 O ATOM 1594 CB CYS A 96 123.830 8.166 7.829 1.00 0.00 C ATOM 1595 SG CYS A 96 122.423 7.223 7.191 1.00 0.00 S ATOM 0 H CYS A 96 125.994 8.369 6.833 1.00 0.00 H new ATOM 0 HA CYS A 96 123.424 9.362 6.057 1.00 0.00 H new ATOM 0 HB2 CYS A 96 124.712 7.528 7.889 1.00 0.00 H new ATOM 0 HB3 CYS A 96 123.619 8.515 8.840 1.00 0.00 H new ATOM 0 HG CYS A 96 121.873 7.875 6.210 1.00 0.00 H new ATOM 1601 N LYS A 97 124.941 11.117 8.343 1.00 0.00 N ATOM 1602 CA LYS A 97 124.842 12.398 9.093 1.00 0.00 C ATOM 1603 C LYS A 97 125.165 13.579 8.171 1.00 0.00 C ATOM 1604 O LYS A 97 124.753 14.695 8.413 1.00 0.00 O ATOM 1605 CB LYS A 97 125.882 12.289 10.209 1.00 0.00 C ATOM 1606 CG LYS A 97 125.389 13.050 11.443 1.00 0.00 C ATOM 1607 CD LYS A 97 126.496 13.977 11.949 1.00 0.00 C ATOM 1608 CE LYS A 97 126.507 13.974 13.480 1.00 0.00 C ATOM 1609 NZ LYS A 97 127.837 13.416 13.855 1.00 0.00 N ATOM 0 H LYS A 97 125.842 10.643 8.413 1.00 0.00 H new ATOM 0 HA LYS A 97 123.840 12.567 9.487 1.00 0.00 H new ATOM 0 HB2 LYS A 97 126.054 11.242 10.459 1.00 0.00 H new ATOM 0 HB3 LYS A 97 126.835 12.698 9.873 1.00 0.00 H new ATOM 0 HG2 LYS A 97 124.500 13.630 11.194 1.00 0.00 H new ATOM 0 HG3 LYS A 97 125.103 12.348 12.226 1.00 0.00 H new ATOM 0 HD2 LYS A 97 127.463 13.648 11.567 1.00 0.00 H new ATOM 0 HD3 LYS A 97 126.335 14.989 11.578 1.00 0.00 H new ATOM 0 HE2 LYS A 97 126.375 14.980 13.878 1.00 0.00 H new ATOM 0 HE3 LYS A 97 125.696 13.364 13.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 127.920 13.382 14.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 127.932 12.455 13.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 128.589 14.021 13.467 1.00 0.00 H new ATOM 1623 N GLU A 98 125.898 13.342 7.114 1.00 0.00 N ATOM 1624 CA GLU A 98 126.240 14.454 6.185 1.00 0.00 C ATOM 1625 C GLU A 98 125.057 14.723 5.245 1.00 0.00 C ATOM 1626 O GLU A 98 124.925 15.791 4.682 1.00 0.00 O ATOM 1627 CB GLU A 98 127.485 13.965 5.422 1.00 0.00 C ATOM 1628 CG GLU A 98 127.088 13.313 4.093 1.00 0.00 C ATOM 1629 CD GLU A 98 128.288 12.564 3.512 1.00 0.00 C ATOM 1630 OE1 GLU A 98 129.311 12.520 4.174 1.00 0.00 O ATOM 1631 OE2 GLU A 98 128.164 12.045 2.415 1.00 0.00 O ATOM 0 H GLU A 98 126.272 12.429 6.857 1.00 0.00 H new ATOM 0 HA GLU A 98 126.443 15.395 6.697 1.00 0.00 H new ATOM 0 HB2 GLU A 98 128.155 14.804 5.235 1.00 0.00 H new ATOM 0 HB3 GLU A 98 128.034 13.249 6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 98 126.257 12.625 4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 98 126.746 14.073 3.391 1.00 0.00 H new ATOM 1638 N ASN A 99 124.196 13.756 5.083 1.00 0.00 N ATOM 1639 CA ASN A 99 123.017 13.940 4.194 1.00 0.00 C ATOM 1640 C ASN A 99 121.728 13.822 5.010 1.00 0.00 C ATOM 1641 O ASN A 99 120.762 13.223 4.582 1.00 0.00 O ATOM 1642 CB ASN A 99 123.113 12.808 3.170 1.00 0.00 C ATOM 1643 CG ASN A 99 123.141 13.399 1.758 1.00 0.00 C ATOM 1644 OD1 ASN A 99 123.238 14.599 1.591 1.00 0.00 O ATOM 1645 ND2 ASN A 99 123.058 12.603 0.728 1.00 0.00 N ATOM 0 H ASN A 99 124.260 12.842 5.531 1.00 0.00 H new ATOM 0 HA ASN A 99 123.004 14.919 3.714 1.00 0.00 H new ATOM 0 HB2 ASN A 99 124.012 12.218 3.347 1.00 0.00 H new ATOM 0 HB3 ASN A 99 122.263 12.133 3.277 1.00 0.00 H new ATOM 0 HD21 ASN A 99 123.075 12.988 -0.217 1.00 0.00 H new ATOM 0 HD22 ASN A 99 122.977 11.596 0.867 1.00 0.00 H new ATOM 1652 N MET A 100 121.710 14.388 6.187 1.00 0.00 N ATOM 1653 CA MET A 100 120.487 14.310 7.036 1.00 0.00 C ATOM 1654 C MET A 100 119.306 14.975 6.326 1.00 0.00 C ATOM 1655 O MET A 100 118.160 14.660 6.580 1.00 0.00 O ATOM 1656 CB MET A 100 120.844 15.067 8.317 1.00 0.00 C ATOM 1657 CG MET A 100 121.048 16.548 7.994 1.00 0.00 C ATOM 1658 SD MET A 100 119.661 17.506 8.657 1.00 0.00 S ATOM 1659 CE MET A 100 120.602 18.986 9.100 1.00 0.00 C ATOM 0 H MET A 100 122.490 14.901 6.597 1.00 0.00 H new ATOM 0 HA MET A 100 120.192 13.281 7.242 1.00 0.00 H new ATOM 0 HB2 MET A 100 120.050 14.951 9.054 1.00 0.00 H new ATOM 0 HB3 MET A 100 121.751 14.652 8.757 1.00 0.00 H new ATOM 0 HG2 MET A 100 121.986 16.899 8.425 1.00 0.00 H new ATOM 0 HG3 MET A 100 121.120 16.690 6.916 1.00 0.00 H new ATOM 0 HE1 MET A 100 119.964 19.865 9.006 1.00 0.00 H new ATOM 0 HE2 MET A 100 120.952 18.900 10.129 1.00 0.00 H new ATOM 0 HE3 MET A 100 121.458 19.086 8.432 1.00 0.00 H new ATOM 1669 N TYR A 101 119.575 15.889 5.435 1.00 0.00 N ATOM 1670 CA TYR A 101 118.463 16.566 4.706 1.00 0.00 C ATOM 1671 C TYR A 101 117.781 15.570 3.768 1.00 0.00 C ATOM 1672 O TYR A 101 116.611 15.687 3.459 1.00 0.00 O ATOM 1673 CB TYR A 101 119.134 17.684 3.907 1.00 0.00 C ATOM 1674 CG TYR A 101 119.289 18.906 4.780 1.00 0.00 C ATOM 1675 CD1 TYR A 101 118.156 19.611 5.205 1.00 0.00 C ATOM 1676 CD2 TYR A 101 120.565 19.334 5.162 1.00 0.00 C ATOM 1677 CE1 TYR A 101 118.301 20.744 6.015 1.00 0.00 C ATOM 1678 CE2 TYR A 101 120.709 20.468 5.972 1.00 0.00 C ATOM 1679 CZ TYR A 101 119.577 21.173 6.398 1.00 0.00 C ATOM 1680 OH TYR A 101 119.719 22.290 7.195 1.00 0.00 O ATOM 0 H TYR A 101 120.514 16.196 5.180 1.00 0.00 H new ATOM 0 HA TYR A 101 117.697 16.954 5.378 1.00 0.00 H new ATOM 0 HB2 TYR A 101 120.109 17.354 3.549 1.00 0.00 H new ATOM 0 HB3 TYR A 101 118.537 17.926 3.028 1.00 0.00 H new ATOM 0 HD1 TYR A 101 117.171 19.281 4.908 1.00 0.00 H new ATOM 0 HD2 TYR A 101 121.438 18.791 4.833 1.00 0.00 H new ATOM 0 HE1 TYR A 101 117.428 21.287 6.344 1.00 0.00 H new ATOM 0 HE2 TYR A 101 121.694 20.798 6.268 1.00 0.00 H new ATOM 0 HH TYR A 101 120.670 22.449 7.369 1.00 0.00 H new ATOM 1690 N ALA A 102 118.509 14.588 3.315 1.00 0.00 N ATOM 1691 CA ALA A 102 117.916 13.573 2.398 1.00 0.00 C ATOM 1692 C ALA A 102 117.029 12.609 3.186 1.00 0.00 C ATOM 1693 O ALA A 102 115.941 12.265 2.771 1.00 0.00 O ATOM 1694 CB ALA A 102 119.116 12.836 1.806 1.00 0.00 C ATOM 0 H ALA A 102 119.493 14.444 3.541 1.00 0.00 H new ATOM 0 HA ALA A 102 117.290 14.022 1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 102 118.767 12.068 1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 102 119.750 13.543 1.271 1.00 0.00 H new ATOM 0 HB3 ALA A 102 119.689 12.371 2.608 1.00 0.00 H new ATOM 1700 N VAL A 103 117.491 12.172 4.321 1.00 0.00 N ATOM 1701 CA VAL A 103 116.681 11.229 5.145 1.00 0.00 C ATOM 1702 C VAL A 103 115.487 11.962 5.759 1.00 0.00 C ATOM 1703 O VAL A 103 114.450 11.384 6.012 1.00 0.00 O ATOM 1704 CB VAL A 103 117.624 10.736 6.243 1.00 0.00 C ATOM 1705 CG1 VAL A 103 117.065 9.449 6.853 1.00 0.00 C ATOM 1706 CG2 VAL A 103 119.007 10.454 5.651 1.00 0.00 C ATOM 0 H VAL A 103 118.396 12.426 4.717 1.00 0.00 H new ATOM 0 HA VAL A 103 116.285 10.404 4.552 1.00 0.00 H new ATOM 0 HB VAL A 103 117.710 11.503 7.013 1.00 0.00 H new ATOM 0 HG11 VAL A 103 117.736 9.096 7.636 1.00 0.00 H new ATOM 0 HG12 VAL A 103 116.081 9.646 7.280 1.00 0.00 H new ATOM 0 HG13 VAL A 103 116.979 8.687 6.079 1.00 0.00 H new ATOM 0 HG21 VAL A 103 119.675 10.103 6.438 1.00 0.00 H new ATOM 0 HG22 VAL A 103 118.923 9.690 4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 103 119.409 11.368 5.215 1.00 0.00 H new ATOM 1716 N GLN A 104 115.628 13.237 6.003 1.00 0.00 N ATOM 1717 CA GLN A 104 114.508 14.012 6.603 1.00 0.00 C ATOM 1718 C GLN A 104 113.528 14.460 5.516 1.00 0.00 C ATOM 1719 O GLN A 104 112.350 14.630 5.761 1.00 0.00 O ATOM 1720 CB GLN A 104 115.173 15.220 7.262 1.00 0.00 C ATOM 1721 CG GLN A 104 116.099 14.745 8.385 1.00 0.00 C ATOM 1722 CD GLN A 104 115.392 14.903 9.732 1.00 0.00 C ATOM 1723 OE1 GLN A 104 115.992 15.330 10.699 1.00 0.00 O ATOM 1724 NE2 GLN A 104 114.135 14.574 9.838 1.00 0.00 N ATOM 0 H GLN A 104 116.473 13.775 5.812 1.00 0.00 H new ATOM 0 HA GLN A 104 113.934 13.422 7.318 1.00 0.00 H new ATOM 0 HB2 GLN A 104 115.741 15.784 6.522 1.00 0.00 H new ATOM 0 HB3 GLN A 104 114.414 15.893 7.662 1.00 0.00 H new ATOM 0 HG2 GLN A 104 116.374 13.702 8.227 1.00 0.00 H new ATOM 0 HG3 GLN A 104 117.023 15.323 8.378 1.00 0.00 H new ATOM 0 HE21 GLN A 104 113.631 14.216 9.027 1.00 0.00 H new ATOM 0 HE22 GLN A 104 113.655 14.675 10.732 1.00 0.00 H new ATOM 1733 N THR A 105 114.003 14.651 4.316 1.00 0.00 N ATOM 1734 CA THR A 105 113.094 15.086 3.216 1.00 0.00 C ATOM 1735 C THR A 105 112.001 14.038 2.991 1.00 0.00 C ATOM 1736 O THR A 105 110.937 14.335 2.482 1.00 0.00 O ATOM 1737 CB THR A 105 113.990 15.207 1.981 1.00 0.00 C ATOM 1738 OG1 THR A 105 113.299 15.921 0.966 1.00 0.00 O ATOM 1739 CG2 THR A 105 114.353 13.812 1.467 1.00 0.00 C ATOM 0 H THR A 105 114.979 14.525 4.049 1.00 0.00 H new ATOM 0 HA THR A 105 112.590 16.026 3.443 1.00 0.00 H new ATOM 0 HB THR A 105 114.903 15.740 2.247 1.00 0.00 H new ATOM 0 HG1 THR A 105 113.872 16.001 0.175 1.00 0.00 H new ATOM 0 HG21 THR A 105 114.991 13.903 0.588 1.00 0.00 H new ATOM 0 HG22 THR A 105 114.884 13.264 2.246 1.00 0.00 H new ATOM 0 HG23 THR A 105 113.443 13.274 1.201 1.00 0.00 H new ATOM 1747 N LEU A 106 112.251 12.816 3.371 1.00 0.00 N ATOM 1748 CA LEU A 106 111.226 11.749 3.185 1.00 0.00 C ATOM 1749 C LEU A 106 110.000 12.047 4.050 1.00 0.00 C ATOM 1750 O LEU A 106 108.873 11.889 3.624 1.00 0.00 O ATOM 1751 CB LEU A 106 111.906 10.461 3.647 1.00 0.00 C ATOM 1752 CG LEU A 106 112.734 9.877 2.500 1.00 0.00 C ATOM 1753 CD1 LEU A 106 113.557 8.696 3.016 1.00 0.00 C ATOM 1754 CD2 LEU A 106 111.796 9.399 1.388 1.00 0.00 C ATOM 0 H LEU A 106 113.122 12.509 3.803 1.00 0.00 H new ATOM 0 HA LEU A 106 110.882 11.679 2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 106 112.547 10.664 4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 106 111.157 9.739 3.972 1.00 0.00 H new ATOM 0 HG LEU A 106 113.404 10.642 2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 106 114.147 8.279 2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 106 114.223 9.036 3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 106 112.888 7.930 3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 106 112.384 8.983 0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 106 111.127 8.633 1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 106 111.208 10.240 1.021 1.00 0.00 H new ATOM 1766 N LYS A 107 110.212 12.478 5.263 1.00 0.00 N ATOM 1767 CA LYS A 107 109.063 12.788 6.158 1.00 0.00 C ATOM 1768 C LYS A 107 108.038 13.656 5.421 1.00 0.00 C ATOM 1769 O LYS A 107 106.859 13.622 5.710 1.00 0.00 O ATOM 1770 CB LYS A 107 109.673 13.556 7.331 1.00 0.00 C ATOM 1771 CG LYS A 107 108.556 14.151 8.191 1.00 0.00 C ATOM 1772 CD LYS A 107 109.170 14.895 9.378 1.00 0.00 C ATOM 1773 CE LYS A 107 109.761 16.222 8.898 1.00 0.00 C ATOM 1774 NZ LYS A 107 110.637 16.679 10.012 1.00 0.00 N ATOM 0 H LYS A 107 111.134 12.629 5.673 1.00 0.00 H new ATOM 0 HA LYS A 107 108.540 11.890 6.487 1.00 0.00 H new ATOM 0 HB2 LYS A 107 110.293 12.890 7.932 1.00 0.00 H new ATOM 0 HB3 LYS A 107 110.323 14.349 6.961 1.00 0.00 H new ATOM 0 HG2 LYS A 107 107.948 14.832 7.596 1.00 0.00 H new ATOM 0 HG3 LYS A 107 107.895 13.360 8.546 1.00 0.00 H new ATOM 0 HD2 LYS A 107 108.411 15.077 10.139 1.00 0.00 H new ATOM 0 HD3 LYS A 107 109.946 14.285 9.841 1.00 0.00 H new ATOM 0 HE2 LYS A 107 110.329 16.091 7.977 1.00 0.00 H new ATOM 0 HE3 LYS A 107 108.977 16.950 8.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 111.079 17.585 9.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 110.067 16.802 10.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 111.377 15.969 10.185 1.00 0.00 H new ATOM 1987 N VAL A 121 102.654 7.872 5.980 1.00 0.00 N ATOM 1988 CA VAL A 121 103.110 7.823 7.399 1.00 0.00 C ATOM 1989 C VAL A 121 104.318 6.895 7.567 1.00 0.00 C ATOM 1990 O VAL A 121 105.434 7.338 7.724 1.00 0.00 O ATOM 1991 CB VAL A 121 101.916 7.262 8.157 1.00 0.00 C ATOM 1992 CG1 VAL A 121 102.367 6.815 9.548 1.00 0.00 C ATOM 1993 CG2 VAL A 121 100.842 8.340 8.273 1.00 0.00 C ATOM 0 HA VAL A 121 103.425 8.803 7.757 1.00 0.00 H new ATOM 0 HB VAL A 121 101.504 6.405 7.623 1.00 0.00 H new ATOM 0 HG11 VAL A 121 101.515 6.412 10.095 1.00 0.00 H new ATOM 0 HG12 VAL A 121 103.133 6.046 9.452 1.00 0.00 H new ATOM 0 HG13 VAL A 121 102.775 7.668 10.090 1.00 0.00 H new ATOM 0 HG21 VAL A 121 99.984 7.942 8.816 1.00 0.00 H new ATOM 0 HG22 VAL A 121 101.245 9.199 8.810 1.00 0.00 H new ATOM 0 HG23 VAL A 121 100.529 8.650 7.276 1.00 0.00 H new ATOM 2003 N ASN A 122 104.082 5.608 7.568 1.00 0.00 N ATOM 2004 CA ASN A 122 105.192 4.622 7.758 1.00 0.00 C ATOM 2005 C ASN A 122 106.504 5.132 7.150 1.00 0.00 C ATOM 2006 O ASN A 122 107.510 5.222 7.825 1.00 0.00 O ATOM 2007 CB ASN A 122 104.722 3.364 7.026 1.00 0.00 C ATOM 2008 CG ASN A 122 103.346 2.950 7.554 1.00 0.00 C ATOM 2009 OD1 ASN A 122 102.332 3.345 7.013 1.00 0.00 O ATOM 2010 ND2 ASN A 122 103.269 2.166 8.593 1.00 0.00 N ATOM 0 H ASN A 122 103.159 5.193 7.444 1.00 0.00 H new ATOM 0 HA ASN A 122 105.396 4.444 8.814 1.00 0.00 H new ATOM 0 HB2 ASN A 122 104.670 3.552 5.954 1.00 0.00 H new ATOM 0 HB3 ASN A 122 105.438 2.556 7.173 1.00 0.00 H new ATOM 0 HD21 ASN A 122 102.357 1.884 8.952 1.00 0.00 H new ATOM 0 HD22 ASN A 122 104.121 1.835 9.046 1.00 0.00 H new ATOM 2017 N VAL A 123 106.511 5.471 5.891 1.00 0.00 N ATOM 2018 CA VAL A 123 107.772 5.976 5.274 1.00 0.00 C ATOM 2019 C VAL A 123 108.148 7.327 5.888 1.00 0.00 C ATOM 2020 O VAL A 123 109.302 7.607 6.143 1.00 0.00 O ATOM 2021 CB VAL A 123 107.463 6.128 3.785 1.00 0.00 C ATOM 2022 CG1 VAL A 123 106.522 7.316 3.574 1.00 0.00 C ATOM 2023 CG2 VAL A 123 108.767 6.368 3.018 1.00 0.00 C ATOM 0 H VAL A 123 105.706 5.422 5.266 1.00 0.00 H new ATOM 0 HA VAL A 123 108.612 5.302 5.441 1.00 0.00 H new ATOM 0 HB VAL A 123 106.985 5.219 3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 123 106.303 7.423 2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 123 105.594 7.147 4.121 1.00 0.00 H new ATOM 0 HG13 VAL A 123 106.998 8.226 3.939 1.00 0.00 H new ATOM 0 HG21 VAL A 123 108.549 6.477 1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 123 109.243 7.277 3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 123 109.437 5.521 3.166 1.00 0.00 H new ATOM 2033 N ARG A 124 107.180 8.168 6.129 1.00 0.00 N ATOM 2034 CA ARG A 124 107.478 9.502 6.726 1.00 0.00 C ATOM 2035 C ARG A 124 108.105 9.344 8.115 1.00 0.00 C ATOM 2036 O ARG A 124 109.276 9.603 8.309 1.00 0.00 O ATOM 2037 CB ARG A 124 106.119 10.198 6.827 1.00 0.00 C ATOM 2038 CG ARG A 124 106.220 11.393 7.778 1.00 0.00 C ATOM 2039 CD ARG A 124 104.870 12.109 7.845 1.00 0.00 C ATOM 2040 NE ARG A 124 104.269 11.675 9.137 1.00 0.00 N ATOM 2041 CZ ARG A 124 103.097 12.125 9.496 1.00 0.00 C ATOM 2042 NH1 ARG A 124 102.347 12.753 8.632 1.00 0.00 N ATOM 2043 NH2 ARG A 124 102.677 11.945 10.717 1.00 0.00 N ATOM 0 H ARG A 124 106.194 7.989 5.938 1.00 0.00 H new ATOM 0 HA ARG A 124 108.189 10.070 6.126 1.00 0.00 H new ATOM 0 HB2 ARG A 124 105.797 10.532 5.841 1.00 0.00 H new ATOM 0 HB3 ARG A 124 105.366 9.497 7.188 1.00 0.00 H new ATOM 0 HG2 ARG A 124 106.514 11.056 8.772 1.00 0.00 H new ATOM 0 HG3 ARG A 124 106.992 12.081 7.433 1.00 0.00 H new ATOM 0 HD2 ARG A 124 104.995 13.191 7.811 1.00 0.00 H new ATOM 0 HD3 ARG A 124 104.235 11.835 7.002 1.00 0.00 H new ATOM 0 HE ARG A 124 104.773 11.026 9.741 1.00 0.00 H new ATOM 0 HH11 ARG A 124 102.676 12.892 7.677 1.00 0.00 H new ATOM 0 HH12 ARG A 124 101.431 13.105 8.912 1.00 0.00 H new ATOM 0 HH21 ARG A 124 103.264 11.453 11.391 1.00 0.00 H new ATOM 0 HH22 ARG A 124 101.762 12.296 10.998 1.00 0.00 H new ATOM 2057 N GLU A 125 107.336 8.926 9.081 1.00 0.00 N ATOM 2058 CA GLU A 125 107.891 8.757 10.456 1.00 0.00 C ATOM 2059 C GLU A 125 109.111 7.833 10.436 1.00 0.00 C ATOM 2060 O GLU A 125 109.998 7.949 11.257 1.00 0.00 O ATOM 2061 CB GLU A 125 106.756 8.131 11.269 1.00 0.00 C ATOM 2062 CG GLU A 125 105.545 9.065 11.263 1.00 0.00 C ATOM 2063 CD GLU A 125 104.659 8.758 12.472 1.00 0.00 C ATOM 2064 OE1 GLU A 125 105.039 9.128 13.570 1.00 0.00 O ATOM 2065 OE2 GLU A 125 103.615 8.159 12.278 1.00 0.00 O ATOM 0 H GLU A 125 106.348 8.694 8.980 1.00 0.00 H new ATOM 0 HA GLU A 125 108.224 9.704 10.880 1.00 0.00 H new ATOM 0 HB2 GLU A 125 106.484 7.163 10.847 1.00 0.00 H new ATOM 0 HB3 GLU A 125 107.084 7.952 12.293 1.00 0.00 H new ATOM 0 HG2 GLU A 125 105.873 10.104 11.294 1.00 0.00 H new ATOM 0 HG3 GLU A 125 104.978 8.937 10.341 1.00 0.00 H new ATOM 2072 N LYS A 126 109.169 6.920 9.506 1.00 0.00 N ATOM 2073 CA LYS A 126 110.342 6.002 9.447 1.00 0.00 C ATOM 2074 C LYS A 126 111.613 6.811 9.192 1.00 0.00 C ATOM 2075 O LYS A 126 112.514 6.842 10.006 1.00 0.00 O ATOM 2076 CB LYS A 126 110.053 5.061 8.278 1.00 0.00 C ATOM 2077 CG LYS A 126 111.325 4.296 7.910 1.00 0.00 C ATOM 2078 CD LYS A 126 111.641 3.272 9.003 1.00 0.00 C ATOM 2079 CE LYS A 126 112.244 2.019 8.368 1.00 0.00 C ATOM 2080 NZ LYS A 126 113.716 2.176 8.535 1.00 0.00 N ATOM 0 H LYS A 126 108.460 6.770 8.788 1.00 0.00 H new ATOM 0 HA LYS A 126 110.492 5.451 10.375 1.00 0.00 H new ATOM 0 HB2 LYS A 126 109.261 4.362 8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 126 109.697 5.630 7.419 1.00 0.00 H new ATOM 0 HG2 LYS A 126 111.195 3.792 6.952 1.00 0.00 H new ATOM 0 HG3 LYS A 126 112.158 4.989 7.795 1.00 0.00 H new ATOM 0 HD2 LYS A 126 112.338 3.698 9.725 1.00 0.00 H new ATOM 0 HD3 LYS A 126 110.733 3.015 9.549 1.00 0.00 H new ATOM 0 HE2 LYS A 126 111.885 1.115 8.859 1.00 0.00 H new ATOM 0 HE3 LYS A 126 111.972 1.939 7.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 114.205 1.397 8.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 114.017 3.083 8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 113.954 2.157 9.547 1.00 0.00 H new ATOM 2094 N ALA A 127 111.688 7.472 8.073 1.00 0.00 N ATOM 2095 CA ALA A 127 112.899 8.289 7.773 1.00 0.00 C ATOM 2096 C ALA A 127 113.259 9.156 8.983 1.00 0.00 C ATOM 2097 O ALA A 127 114.413 9.311 9.327 1.00 0.00 O ATOM 2098 CB ALA A 127 112.498 9.166 6.587 1.00 0.00 C ATOM 0 H ALA A 127 110.966 7.483 7.353 1.00 0.00 H new ATOM 0 HA ALA A 127 113.771 7.674 7.549 1.00 0.00 H new ATOM 0 HB1 ALA A 127 113.338 9.800 6.303 1.00 0.00 H new ATOM 0 HB2 ALA A 127 112.220 8.533 5.744 1.00 0.00 H new ATOM 0 HB3 ALA A 127 111.650 9.791 6.867 1.00 0.00 H new ATOM 2104 N LYS A 128 112.277 9.723 9.632 1.00 0.00 N ATOM 2105 CA LYS A 128 112.562 10.581 10.818 1.00 0.00 C ATOM 2106 C LYS A 128 113.276 9.770 11.904 1.00 0.00 C ATOM 2107 O LYS A 128 114.187 10.250 12.551 1.00 0.00 O ATOM 2108 CB LYS A 128 111.191 11.043 11.312 1.00 0.00 C ATOM 2109 CG LYS A 128 111.222 12.550 11.574 1.00 0.00 C ATOM 2110 CD LYS A 128 111.391 12.805 13.072 1.00 0.00 C ATOM 2111 CE LYS A 128 110.027 12.731 13.761 1.00 0.00 C ATOM 2112 NZ LYS A 128 110.046 13.827 14.770 1.00 0.00 N ATOM 0 H LYS A 128 111.290 9.629 9.392 1.00 0.00 H new ATOM 0 HA LYS A 128 113.212 11.420 10.570 1.00 0.00 H new ATOM 0 HB2 LYS A 128 110.428 10.808 10.570 1.00 0.00 H new ATOM 0 HB3 LYS A 128 110.923 10.510 12.225 1.00 0.00 H new ATOM 0 HG2 LYS A 128 112.042 13.009 11.022 1.00 0.00 H new ATOM 0 HG3 LYS A 128 110.301 13.011 11.218 1.00 0.00 H new ATOM 0 HD2 LYS A 128 112.068 12.067 13.503 1.00 0.00 H new ATOM 0 HD3 LYS A 128 111.840 13.784 13.236 1.00 0.00 H new ATOM 0 HE2 LYS A 128 109.216 12.867 13.046 1.00 0.00 H new ATOM 0 HE3 LYS A 128 109.876 11.761 14.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 109.142 13.841 15.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 110.824 13.668 15.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 110.184 14.739 14.289 1.00 0.00 H new ATOM 2126 N GLN A 129 112.870 8.548 12.112 1.00 0.00 N ATOM 2127 CA GLN A 129 113.524 7.711 13.159 1.00 0.00 C ATOM 2128 C GLN A 129 114.974 7.405 12.772 1.00 0.00 C ATOM 2129 O GLN A 129 115.892 7.658 13.525 1.00 0.00 O ATOM 2130 CB GLN A 129 112.700 6.424 13.209 1.00 0.00 C ATOM 2131 CG GLN A 129 111.976 6.331 14.554 1.00 0.00 C ATOM 2132 CD GLN A 129 110.549 5.824 14.332 1.00 0.00 C ATOM 2133 OE1 GLN A 129 110.239 4.691 14.642 1.00 0.00 O ATOM 2134 NE2 GLN A 129 109.660 6.623 13.806 1.00 0.00 N ATOM 0 H GLN A 129 112.113 8.092 11.602 1.00 0.00 H new ATOM 0 HA GLN A 129 113.556 8.214 14.125 1.00 0.00 H new ATOM 0 HB2 GLN A 129 111.977 6.411 12.393 1.00 0.00 H new ATOM 0 HB3 GLN A 129 113.349 5.559 13.073 1.00 0.00 H new ATOM 0 HG2 GLN A 129 112.513 5.657 15.222 1.00 0.00 H new ATOM 0 HG3 GLN A 129 111.955 7.308 15.036 1.00 0.00 H new ATOM 0 HE21 GLN A 129 109.920 7.574 13.546 1.00 0.00 H new ATOM 0 HE22 GLN A 129 108.706 6.296 13.656 1.00 0.00 H new ATOM 2143 N LEU A 130 115.188 6.862 11.604 1.00 0.00 N ATOM 2144 CA LEU A 130 116.582 6.544 11.179 1.00 0.00 C ATOM 2145 C LEU A 130 117.497 7.740 11.454 1.00 0.00 C ATOM 2146 O LEU A 130 118.678 7.588 11.698 1.00 0.00 O ATOM 2147 CB LEU A 130 116.491 6.263 9.677 1.00 0.00 C ATOM 2148 CG LEU A 130 117.865 5.848 9.141 1.00 0.00 C ATOM 2149 CD1 LEU A 130 118.517 4.847 10.099 1.00 0.00 C ATOM 2150 CD2 LEU A 130 117.699 5.196 7.767 1.00 0.00 C ATOM 0 H LEU A 130 114.462 6.626 10.928 1.00 0.00 H new ATOM 0 HA LEU A 130 116.997 5.694 11.720 1.00 0.00 H new ATOM 0 HB2 LEU A 130 115.764 5.473 9.489 1.00 0.00 H new ATOM 0 HB3 LEU A 130 116.139 7.151 9.152 1.00 0.00 H new ATOM 0 HG LEU A 130 118.498 6.731 9.057 1.00 0.00 H new ATOM 0 HD11 LEU A 130 119.494 4.556 9.712 1.00 0.00 H new ATOM 0 HD12 LEU A 130 118.638 5.307 11.080 1.00 0.00 H new ATOM 0 HD13 LEU A 130 117.884 3.964 10.188 1.00 0.00 H new ATOM 0 HD21 LEU A 130 118.676 4.900 7.384 1.00 0.00 H new ATOM 0 HD22 LEU A 130 117.063 4.316 7.857 1.00 0.00 H new ATOM 0 HD23 LEU A 130 117.240 5.907 7.080 1.00 0.00 H new ATOM 2162 N VAL A 131 116.958 8.927 11.423 1.00 0.00 N ATOM 2163 CA VAL A 131 117.792 10.133 11.691 1.00 0.00 C ATOM 2164 C VAL A 131 117.983 10.306 13.200 1.00 0.00 C ATOM 2165 O VAL A 131 119.044 10.673 13.666 1.00 0.00 O ATOM 2166 CB VAL A 131 116.997 11.304 11.115 1.00 0.00 C ATOM 2167 CG1 VAL A 131 117.559 12.619 11.656 1.00 0.00 C ATOM 2168 CG2 VAL A 131 117.106 11.295 9.590 1.00 0.00 C ATOM 0 H VAL A 131 115.975 9.115 11.224 1.00 0.00 H new ATOM 0 HA VAL A 131 118.784 10.060 11.245 1.00 0.00 H new ATOM 0 HB VAL A 131 115.951 11.208 11.406 1.00 0.00 H new ATOM 0 HG11 VAL A 131 116.991 13.454 11.245 1.00 0.00 H new ATOM 0 HG12 VAL A 131 117.481 12.628 12.743 1.00 0.00 H new ATOM 0 HG13 VAL A 131 118.605 12.714 11.366 1.00 0.00 H new ATOM 0 HG21 VAL A 131 116.539 12.130 9.180 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.152 11.389 9.299 1.00 0.00 H new ATOM 0 HG23 VAL A 131 116.705 10.359 9.202 1.00 0.00 H new ATOM 2178 N ALA A 132 116.960 10.041 13.967 1.00 0.00 N ATOM 2179 CA ALA A 132 117.073 10.186 15.446 1.00 0.00 C ATOM 2180 C ALA A 132 118.205 9.304 15.980 1.00 0.00 C ATOM 2181 O ALA A 132 119.033 9.740 16.755 1.00 0.00 O ATOM 2182 CB ALA A 132 115.725 9.715 15.992 1.00 0.00 C ATOM 0 H ALA A 132 116.049 9.729 13.632 1.00 0.00 H new ATOM 0 HA ALA A 132 117.301 11.209 15.745 1.00 0.00 H new ATOM 0 HB1 ALA A 132 115.726 9.791 17.079 1.00 0.00 H new ATOM 0 HB2 ALA A 132 114.930 10.340 15.586 1.00 0.00 H new ATOM 0 HB3 ALA A 132 115.557 8.678 15.701 1.00 0.00 H new ATOM 2188 N LEU A 133 118.243 8.063 15.574 1.00 0.00 N ATOM 2189 CA LEU A 133 119.320 7.152 16.061 1.00 0.00 C ATOM 2190 C LEU A 133 120.697 7.763 15.793 1.00 0.00 C ATOM 2191 O LEU A 133 121.549 7.798 16.658 1.00 0.00 O ATOM 2192 CB LEU A 133 119.141 5.863 15.257 1.00 0.00 C ATOM 2193 CG LEU A 133 120.291 4.905 15.567 1.00 0.00 C ATOM 2194 CD1 LEU A 133 120.100 4.308 16.962 1.00 0.00 C ATOM 2195 CD2 LEU A 133 120.310 3.779 14.531 1.00 0.00 C ATOM 0 H LEU A 133 117.576 7.641 14.927 1.00 0.00 H new ATOM 0 HA LEU A 133 119.256 6.977 17.135 1.00 0.00 H new ATOM 0 HB2 LEU A 133 118.188 5.396 15.505 1.00 0.00 H new ATOM 0 HB3 LEU A 133 119.118 6.087 14.191 1.00 0.00 H new ATOM 0 HG LEU A 133 121.234 5.450 15.532 1.00 0.00 H new ATOM 0 HD11 LEU A 133 120.921 3.625 17.181 1.00 0.00 H new ATOM 0 HD12 LEU A 133 120.087 5.109 17.702 1.00 0.00 H new ATOM 0 HD13 LEU A 133 119.156 3.764 16.999 1.00 0.00 H new ATOM 0 HD21 LEU A 133 121.130 3.095 14.752 1.00 0.00 H new ATOM 0 HD22 LEU A 133 119.365 3.236 14.566 1.00 0.00 H new ATOM 0 HD23 LEU A 133 120.448 4.202 13.536 1.00 0.00 H new ATOM 2207 N LEU A 134 120.925 8.242 14.601 1.00 0.00 N ATOM 2208 CA LEU A 134 122.250 8.846 14.280 1.00 0.00 C ATOM 2209 C LEU A 134 122.337 10.266 14.849 1.00 0.00 C ATOM 2210 O LEU A 134 123.392 10.867 14.882 1.00 0.00 O ATOM 2211 CB LEU A 134 122.314 8.874 12.753 1.00 0.00 C ATOM 2212 CG LEU A 134 122.296 7.443 12.214 1.00 0.00 C ATOM 2213 CD1 LEU A 134 121.628 7.425 10.838 1.00 0.00 C ATOM 2214 CD2 LEU A 134 123.731 6.928 12.090 1.00 0.00 C ATOM 0 H LEU A 134 120.251 8.241 13.835 1.00 0.00 H new ATOM 0 HA LEU A 134 123.076 8.281 14.711 1.00 0.00 H new ATOM 0 HB2 LEU A 134 121.469 9.435 12.353 1.00 0.00 H new ATOM 0 HB3 LEU A 134 123.219 9.385 12.426 1.00 0.00 H new ATOM 0 HG LEU A 134 121.737 6.804 12.898 1.00 0.00 H new ATOM 0 HD11 LEU A 134 121.615 6.405 10.453 1.00 0.00 H new ATOM 0 HD12 LEU A 134 120.606 7.793 10.925 1.00 0.00 H new ATOM 0 HD13 LEU A 134 122.187 8.064 10.154 1.00 0.00 H new ATOM 0 HD21 LEU A 134 123.720 5.908 11.706 1.00 0.00 H new ATOM 0 HD22 LEU A 134 124.289 7.567 11.406 1.00 0.00 H new ATOM 0 HD23 LEU A 134 124.208 6.941 13.070 1.00 0.00 H new