USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=24 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 100 MET CE :methyl -107:sc= -0.613 (180deg=-4.25!) USER MOD Set 1.2: A 101 TYR OH : rot 180:sc= -0.0362 USER MOD Set 2.1: A 58 SER OG : rot 180:sc= 0.0551 USER MOD Set 2.2: A 62 LYS NZ :NH3+ 170:sc= 0.0407 (180deg=0) USER MOD Set 3.1: A 57 MET CE :methyl 166:sc= -3.7 (180deg=-2.92) USER MOD Set 3.2: A 96 CYS SG : rot 94:sc= -2.36! USER MOD Single : A 23 LYS NZ :NH3+ -164:sc= -0.0673 (180deg=-0.418) USER MOD Single : A 28 THR OG1 : rot -84:sc= 0.465 USER MOD Single : A 40 MET CE :methyl 151:sc= -0.498 (180deg=-2.68!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -75:sc= -2.95! USER MOD Single : A 48 TYR OH : rot 174:sc= 0.707 USER MOD Single : A 49 ASN : amide:sc=-0.00324 X(o=-0.0032,f=-0.11) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.961 X(o=-0.96,f=-0.55) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -1.18 F(o=-2.7!,f=-1.2) 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 -116:sc= -14.6! (180deg=-17.3!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00472 USER MOD Single : A 81 MET CE :methyl -162:sc= -4.14! (180deg=-5.73!) USER MOD Single : A 83 TYR OH : rot 30:sc= -0.0217 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -29:sc= 0.124 USER MOD Single : A 89 SER OG : rot 180:sc= 0.143 USER MOD Single : A 93 SER OG : rot -61:sc= 0.941 USER MOD Single : A 94 GLN : amide:sc= -0.594 X(o=-0.59,f=-0.45!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.43 K(o=-0.43,f=-4.3!) USER MOD Single : A 104 GLN : amide:sc= -5.39! C(o=-5.4!,f=-8.7!) 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 :FLIP amide:sc= 0.691 F(o=0,f=0.69) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.554 K(o=-0.55,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 355 N GLU A 19 130.274 -5.989 -6.287 1.00 0.00 N ATOM 356 CA GLU A 19 128.866 -6.229 -6.717 1.00 0.00 C ATOM 357 C GLU A 19 127.889 -5.682 -5.673 1.00 0.00 C ATOM 358 O GLU A 19 126.723 -6.021 -5.663 1.00 0.00 O ATOM 359 CB GLU A 19 128.737 -7.750 -6.821 1.00 0.00 C ATOM 360 CG GLU A 19 129.778 -8.283 -7.807 1.00 0.00 C ATOM 361 CD GLU A 19 129.389 -9.698 -8.242 1.00 0.00 C ATOM 362 OE1 GLU A 19 128.557 -10.293 -7.578 1.00 0.00 O ATOM 363 OE2 GLU A 19 129.930 -10.161 -9.233 1.00 0.00 O ATOM 0 HA GLU A 19 128.635 -5.732 -7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 19 128.881 -8.206 -5.841 1.00 0.00 H new ATOM 0 HB3 GLU A 19 127.734 -8.019 -7.153 1.00 0.00 H new ATOM 0 HG2 GLU A 19 129.841 -7.628 -8.676 1.00 0.00 H new ATOM 0 HG3 GLU A 19 130.764 -8.292 -7.342 1.00 0.00 H new ATOM 370 N ALA A 20 128.357 -4.838 -4.795 1.00 0.00 N ATOM 371 CA ALA A 20 127.455 -4.271 -3.754 1.00 0.00 C ATOM 372 C ALA A 20 126.290 -3.526 -4.413 1.00 0.00 C ATOM 373 O ALA A 20 125.144 -3.705 -4.054 1.00 0.00 O ATOM 374 CB ALA A 20 128.329 -3.302 -2.959 1.00 0.00 C ATOM 0 H ALA A 20 129.324 -4.517 -4.754 1.00 0.00 H new ATOM 0 HA ALA A 20 127.020 -5.043 -3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 20 127.736 -2.841 -2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 20 129.164 -3.845 -2.516 1.00 0.00 H new ATOM 0 HB3 ALA A 20 128.712 -2.528 -3.624 1.00 0.00 H new ATOM 380 N GLU A 21 126.576 -2.694 -5.378 1.00 0.00 N ATOM 381 CA GLU A 21 125.485 -1.942 -6.059 1.00 0.00 C ATOM 382 C GLU A 21 124.322 -2.884 -6.381 1.00 0.00 C ATOM 383 O GLU A 21 123.174 -2.485 -6.403 1.00 0.00 O ATOM 384 CB GLU A 21 126.114 -1.408 -7.347 1.00 0.00 C ATOM 385 CG GLU A 21 126.696 -2.572 -8.150 1.00 0.00 C ATOM 386 CD GLU A 21 127.517 -2.025 -9.320 1.00 0.00 C ATOM 387 OE1 GLU A 21 128.469 -1.307 -9.065 1.00 0.00 O ATOM 388 OE2 GLU A 21 127.180 -2.336 -10.451 1.00 0.00 O ATOM 0 H GLU A 21 127.517 -2.503 -5.723 1.00 0.00 H new ATOM 0 HA GLU A 21 125.085 -1.139 -5.439 1.00 0.00 H new ATOM 0 HB2 GLU A 21 125.365 -0.882 -7.939 1.00 0.00 H new ATOM 0 HB3 GLU A 21 126.897 -0.688 -7.111 1.00 0.00 H new ATOM 0 HG2 GLU A 21 127.324 -3.192 -7.510 1.00 0.00 H new ATOM 0 HG3 GLU A 21 125.893 -3.209 -8.522 1.00 0.00 H new ATOM 395 N ILE A 22 124.612 -4.133 -6.629 1.00 0.00 N ATOM 396 CA ILE A 22 123.523 -5.101 -6.945 1.00 0.00 C ATOM 397 C ILE A 22 122.769 -5.477 -5.668 1.00 0.00 C ATOM 398 O ILE A 22 121.554 -5.516 -5.641 1.00 0.00 O ATOM 399 CB ILE A 22 124.234 -6.323 -7.527 1.00 0.00 C ATOM 400 CG1 ILE A 22 125.146 -5.883 -8.675 1.00 0.00 C ATOM 401 CG2 ILE A 22 123.195 -7.315 -8.053 1.00 0.00 C ATOM 402 CD1 ILE A 22 124.293 -5.369 -9.837 1.00 0.00 C ATOM 0 H ILE A 22 125.554 -4.524 -6.626 1.00 0.00 H new ATOM 0 HA ILE A 22 122.791 -4.689 -7.639 1.00 0.00 H new ATOM 0 HB ILE A 22 124.831 -6.800 -6.750 1.00 0.00 H new ATOM 0 HG12 ILE A 22 125.825 -5.101 -8.335 1.00 0.00 H new ATOM 0 HG13 ILE A 22 125.762 -6.719 -9.005 1.00 0.00 H new ATOM 0 HG21 ILE A 22 123.701 -8.186 -8.468 1.00 0.00 H new ATOM 0 HG22 ILE A 22 122.545 -7.628 -7.236 1.00 0.00 H new ATOM 0 HG23 ILE A 22 122.598 -6.838 -8.830 1.00 0.00 H new ATOM 0 HD11 ILE A 22 124.942 -5.056 -10.654 1.00 0.00 H new ATOM 0 HD12 ILE A 22 123.632 -6.164 -10.183 1.00 0.00 H new ATOM 0 HD13 ILE A 22 123.696 -4.521 -9.503 1.00 0.00 H new ATOM 414 N LYS A 23 123.479 -5.750 -4.607 1.00 0.00 N ATOM 415 CA LYS A 23 122.804 -6.118 -3.330 1.00 0.00 C ATOM 416 C LYS A 23 121.812 -5.024 -2.928 1.00 0.00 C ATOM 417 O LYS A 23 120.656 -5.288 -2.661 1.00 0.00 O ATOM 418 CB LYS A 23 123.930 -6.227 -2.302 1.00 0.00 C ATOM 419 CG LYS A 23 124.874 -7.365 -2.695 1.00 0.00 C ATOM 420 CD LYS A 23 124.351 -8.684 -2.124 1.00 0.00 C ATOM 421 CE LYS A 23 124.524 -9.796 -3.162 1.00 0.00 C ATOM 422 NZ LYS A 23 125.519 -10.728 -2.561 1.00 0.00 N ATOM 0 H LYS A 23 124.498 -5.734 -4.570 1.00 0.00 H new ATOM 0 HA LYS A 23 122.239 -7.047 -3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 23 124.479 -5.287 -2.248 1.00 0.00 H new ATOM 0 HB3 LYS A 23 123.515 -6.411 -1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 23 124.949 -7.431 -3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 23 125.877 -7.166 -2.318 1.00 0.00 H new ATOM 0 HD2 LYS A 23 124.891 -8.937 -1.212 1.00 0.00 H new ATOM 0 HD3 LYS A 23 123.300 -8.584 -1.855 1.00 0.00 H new ATOM 0 HE2 LYS A 23 123.579 -10.301 -3.361 1.00 0.00 H new ATOM 0 HE3 LYS A 23 124.879 -9.398 -4.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 125.895 -11.358 -3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 126.298 -10.181 -2.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 125.059 -11.297 -1.822 1.00 0.00 H new ATOM 436 N VAL A 24 122.253 -3.797 -2.884 1.00 0.00 N ATOM 437 CA VAL A 24 121.334 -2.688 -2.502 1.00 0.00 C ATOM 438 C VAL A 24 120.144 -2.637 -3.464 1.00 0.00 C ATOM 439 O VAL A 24 119.026 -2.372 -3.071 1.00 0.00 O ATOM 440 CB VAL A 24 122.175 -1.416 -2.619 1.00 0.00 C ATOM 441 CG1 VAL A 24 121.297 -0.196 -2.333 1.00 0.00 C ATOM 442 CG2 VAL A 24 123.320 -1.467 -1.604 1.00 0.00 C ATOM 0 H VAL A 24 123.210 -3.514 -3.096 1.00 0.00 H new ATOM 0 HA VAL A 24 120.927 -2.814 -1.499 1.00 0.00 H new ATOM 0 HB VAL A 24 122.584 -1.342 -3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 24 121.896 0.711 -2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 24 120.480 -0.159 -3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 24 120.889 -0.270 -1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 24 123.920 -0.561 -1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 24 122.910 -1.540 -0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 24 123.946 -2.336 -1.805 1.00 0.00 H new ATOM 452 N ARG A 25 120.377 -2.891 -4.724 1.00 0.00 N ATOM 453 CA ARG A 25 119.258 -2.861 -5.709 1.00 0.00 C ATOM 454 C ARG A 25 118.128 -3.780 -5.244 1.00 0.00 C ATOM 455 O ARG A 25 117.060 -3.334 -4.872 1.00 0.00 O ATOM 456 CB ARG A 25 119.865 -3.374 -7.014 1.00 0.00 C ATOM 457 CG ARG A 25 119.411 -2.486 -8.175 1.00 0.00 C ATOM 458 CD ARG A 25 119.624 -3.226 -9.498 1.00 0.00 C ATOM 459 NE ARG A 25 118.254 -3.541 -9.988 1.00 0.00 N ATOM 460 CZ ARG A 25 118.021 -4.670 -10.598 1.00 0.00 C ATOM 461 NH1 ARG A 25 118.710 -4.994 -11.659 1.00 0.00 N ATOM 462 NH2 ARG A 25 117.100 -5.478 -10.147 1.00 0.00 N ATOM 0 H ARG A 25 121.292 -3.118 -5.113 1.00 0.00 H new ATOM 0 HA ARG A 25 118.832 -1.864 -5.824 1.00 0.00 H new ATOM 0 HB2 ARG A 25 120.953 -3.373 -6.946 1.00 0.00 H new ATOM 0 HB3 ARG A 25 119.557 -4.405 -7.189 1.00 0.00 H new ATOM 0 HG2 ARG A 25 118.359 -2.225 -8.057 1.00 0.00 H new ATOM 0 HG3 ARG A 25 119.973 -1.552 -8.174 1.00 0.00 H new ATOM 0 HD2 ARG A 25 120.167 -2.608 -10.213 1.00 0.00 H new ATOM 0 HD3 ARG A 25 120.210 -4.134 -9.353 1.00 0.00 H new ATOM 0 HE ARG A 25 117.496 -2.873 -9.846 1.00 0.00 H new ATOM 0 HH11 ARG A 25 119.431 -4.364 -12.011 1.00 0.00 H new ATOM 0 HH12 ARG A 25 118.527 -5.877 -12.136 1.00 0.00 H new ATOM 0 HH21 ARG A 25 116.562 -5.226 -9.317 1.00 0.00 H new ATOM 0 HH22 ARG A 25 116.918 -6.361 -10.624 1.00 0.00 H new ATOM 476 N GLU A 26 118.359 -5.061 -5.263 1.00 0.00 N ATOM 477 CA GLU A 26 117.304 -6.019 -4.822 1.00 0.00 C ATOM 478 C GLU A 26 116.992 -5.815 -3.337 1.00 0.00 C ATOM 479 O GLU A 26 116.005 -6.307 -2.827 1.00 0.00 O ATOM 480 CB GLU A 26 117.907 -7.404 -5.058 1.00 0.00 C ATOM 481 CG GLU A 26 116.795 -8.391 -5.416 1.00 0.00 C ATOM 482 CD GLU A 26 117.327 -9.421 -6.416 1.00 0.00 C ATOM 483 OE1 GLU A 26 118.243 -10.143 -6.061 1.00 0.00 O ATOM 484 OE2 GLU A 26 116.809 -9.468 -7.519 1.00 0.00 O ATOM 0 H GLU A 26 119.234 -5.489 -5.565 1.00 0.00 H new ATOM 0 HA GLU A 26 116.368 -5.883 -5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 26 118.642 -7.360 -5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 26 118.433 -7.741 -4.164 1.00 0.00 H new ATOM 0 HG2 GLU A 26 116.437 -8.893 -4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 26 115.946 -7.858 -5.844 1.00 0.00 H new ATOM 491 N ALA A 27 117.825 -5.092 -2.640 1.00 0.00 N ATOM 492 CA ALA A 27 117.576 -4.856 -1.188 1.00 0.00 C ATOM 493 C ALA A 27 116.482 -3.800 -1.007 1.00 0.00 C ATOM 494 O ALA A 27 115.743 -3.818 -0.043 1.00 0.00 O ATOM 495 CB ALA A 27 118.908 -4.351 -0.635 1.00 0.00 C ATOM 0 H ALA A 27 118.668 -4.654 -3.012 1.00 0.00 H new ATOM 0 HA ALA A 27 117.238 -5.755 -0.673 1.00 0.00 H new ATOM 0 HB1 ALA A 27 118.807 -4.154 0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 27 119.678 -5.107 -0.793 1.00 0.00 H new ATOM 0 HB3 ALA A 27 119.190 -3.432 -1.149 1.00 0.00 H new ATOM 501 N THR A 28 116.374 -2.881 -1.927 1.00 0.00 N ATOM 502 CA THR A 28 115.327 -1.827 -1.807 1.00 0.00 C ATOM 503 C THR A 28 114.125 -2.179 -2.688 1.00 0.00 C ATOM 504 O THR A 28 113.474 -1.317 -3.244 1.00 0.00 O ATOM 505 CB THR A 28 115.995 -0.542 -2.298 1.00 0.00 C ATOM 506 OG1 THR A 28 116.582 -0.772 -3.572 1.00 0.00 O ATOM 507 CG2 THR A 28 117.076 -0.115 -1.304 1.00 0.00 C ATOM 0 H THR A 28 116.965 -2.814 -2.756 1.00 0.00 H new ATOM 0 HA THR A 28 114.957 -1.726 -0.787 1.00 0.00 H new ATOM 0 HB THR A 28 115.249 0.248 -2.380 1.00 0.00 H new ATOM 0 HG1 THR A 28 117.469 -1.172 -3.456 1.00 0.00 H new ATOM 0 HG21 THR A 28 117.552 0.801 -1.655 1.00 0.00 H new ATOM 0 HG22 THR A 28 116.624 0.062 -0.328 1.00 0.00 H new ATOM 0 HG23 THR A 28 117.824 -0.903 -1.220 1.00 0.00 H new ATOM 644 N LEU A 39 120.851 -10.403 2.031 1.00 0.00 N ATOM 645 CA LEU A 39 120.914 -9.120 1.272 1.00 0.00 C ATOM 646 C LEU A 39 121.375 -7.984 2.189 1.00 0.00 C ATOM 647 O LEU A 39 122.251 -7.216 1.848 1.00 0.00 O ATOM 648 CB LEU A 39 119.482 -8.876 0.790 1.00 0.00 C ATOM 649 CG LEU A 39 119.475 -8.701 -0.728 1.00 0.00 C ATOM 650 CD1 LEU A 39 120.162 -7.385 -1.095 1.00 0.00 C ATOM 651 CD2 LEU A 39 120.226 -9.865 -1.379 1.00 0.00 C ATOM 0 HA LEU A 39 121.621 -9.163 0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 39 118.845 -9.714 1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 39 119.072 -7.988 1.271 1.00 0.00 H new ATOM 0 HG LEU A 39 118.445 -8.685 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 39 120.156 -7.261 -2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 39 119.629 -6.555 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 39 121.191 -7.400 -0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 39 120.221 -9.741 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 39 121.255 -9.880 -1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 39 119.737 -10.804 -1.119 1.00 0.00 H new ATOM 663 N MET A 40 120.790 -7.872 3.351 1.00 0.00 N ATOM 664 CA MET A 40 121.195 -6.785 4.288 1.00 0.00 C ATOM 665 C MET A 40 122.550 -7.110 4.922 1.00 0.00 C ATOM 666 O MET A 40 123.475 -6.324 4.873 1.00 0.00 O ATOM 667 CB MET A 40 120.099 -6.750 5.354 1.00 0.00 C ATOM 668 CG MET A 40 119.100 -5.639 5.027 1.00 0.00 C ATOM 669 SD MET A 40 117.414 -6.267 5.227 1.00 0.00 S ATOM 670 CE MET A 40 117.081 -5.518 6.839 1.00 0.00 C ATOM 0 H MET A 40 120.050 -8.486 3.692 1.00 0.00 H new ATOM 0 HA MET A 40 121.303 -5.825 3.783 1.00 0.00 H new ATOM 0 HB2 MET A 40 119.588 -7.712 5.396 1.00 0.00 H new ATOM 0 HB3 MET A 40 120.539 -6.580 6.337 1.00 0.00 H new ATOM 0 HG2 MET A 40 119.262 -4.785 5.684 1.00 0.00 H new ATOM 0 HG3 MET A 40 119.250 -5.289 4.006 1.00 0.00 H new ATOM 0 HE1 MET A 40 116.013 -5.322 6.936 1.00 0.00 H new ATOM 0 HE2 MET A 40 117.398 -6.199 7.629 1.00 0.00 H new ATOM 0 HE3 MET A 40 117.631 -4.581 6.925 1.00 0.00 H new ATOM 680 N SER A 41 122.675 -8.265 5.517 1.00 0.00 N ATOM 681 CA SER A 41 123.970 -8.642 6.155 1.00 0.00 C ATOM 682 C SER A 41 125.104 -8.578 5.128 1.00 0.00 C ATOM 683 O SER A 41 126.249 -8.357 5.466 1.00 0.00 O ATOM 684 CB SER A 41 123.768 -10.076 6.641 1.00 0.00 C ATOM 685 OG SER A 41 125.031 -10.648 6.952 1.00 0.00 O ATOM 0 H SER A 41 121.936 -8.965 5.589 1.00 0.00 H new ATOM 0 HA SER A 41 124.241 -7.970 6.969 1.00 0.00 H new ATOM 0 HB2 SER A 41 123.124 -10.087 7.521 1.00 0.00 H new ATOM 0 HB3 SER A 41 123.268 -10.666 5.873 1.00 0.00 H new ATOM 0 HG SER A 41 124.905 -11.568 7.266 1.00 0.00 H new ATOM 691 N GLU A 42 124.792 -8.772 3.875 1.00 0.00 N ATOM 692 CA GLU A 42 125.852 -8.725 2.828 1.00 0.00 C ATOM 693 C GLU A 42 126.212 -7.273 2.504 1.00 0.00 C ATOM 694 O GLU A 42 127.367 -6.898 2.493 1.00 0.00 O ATOM 695 CB GLU A 42 125.232 -9.409 1.609 1.00 0.00 C ATOM 696 CG GLU A 42 126.183 -10.490 1.091 1.00 0.00 C ATOM 697 CD GLU A 42 125.984 -11.774 1.898 1.00 0.00 C ATOM 698 OE1 GLU A 42 125.701 -11.670 3.080 1.00 0.00 O ATOM 699 OE2 GLU A 42 126.117 -12.841 1.319 1.00 0.00 O ATOM 0 H GLU A 42 123.850 -8.961 3.532 1.00 0.00 H new ATOM 0 HA GLU A 42 126.772 -9.215 3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 42 124.272 -9.852 1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 42 125.038 -8.675 0.827 1.00 0.00 H new ATOM 0 HG2 GLU A 42 125.994 -10.679 0.034 1.00 0.00 H new ATOM 0 HG3 GLU A 42 127.216 -10.151 1.175 1.00 0.00 H new ATOM 706 N ILE A 43 125.232 -6.452 2.241 1.00 0.00 N ATOM 707 CA ILE A 43 125.523 -5.027 1.919 1.00 0.00 C ATOM 708 C ILE A 43 126.328 -4.387 3.054 1.00 0.00 C ATOM 709 O ILE A 43 127.204 -3.577 2.824 1.00 0.00 O ATOM 710 CB ILE A 43 124.154 -4.363 1.783 1.00 0.00 C ATOM 711 CG1 ILE A 43 123.452 -4.904 0.536 1.00 0.00 C ATOM 712 CG2 ILE A 43 124.330 -2.849 1.652 1.00 0.00 C ATOM 713 CD1 ILE A 43 121.965 -4.550 0.589 1.00 0.00 C ATOM 0 H ILE A 43 124.244 -6.706 2.235 1.00 0.00 H new ATOM 0 HA ILE A 43 126.115 -4.918 1.010 1.00 0.00 H new ATOM 0 HB ILE A 43 123.553 -4.582 2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 43 123.905 -4.481 -0.361 1.00 0.00 H new ATOM 0 HG13 ILE A 43 123.577 -5.985 0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 43 123.353 -2.376 1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 43 124.833 -2.463 2.538 1.00 0.00 H new ATOM 0 HG23 ILE A 43 124.929 -2.627 0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 43 121.467 -4.936 -0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 43 121.517 -4.994 1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 43 121.850 -3.467 0.627 1.00 0.00 H new ATOM 725 N ALA A 44 126.045 -4.751 4.274 1.00 0.00 N ATOM 726 CA ALA A 44 126.803 -4.169 5.419 1.00 0.00 C ATOM 727 C ALA A 44 128.253 -4.656 5.377 1.00 0.00 C ATOM 728 O ALA A 44 129.186 -3.878 5.448 1.00 0.00 O ATOM 729 CB ALA A 44 126.093 -4.687 6.669 1.00 0.00 C ATOM 0 H ALA A 44 125.323 -5.425 4.528 1.00 0.00 H new ATOM 0 HA ALA A 44 126.829 -3.080 5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 44 126.593 -4.302 7.558 1.00 0.00 H new ATOM 0 HB2 ALA A 44 125.055 -4.353 6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 44 126.123 -5.777 6.680 1.00 0.00 H new ATOM 735 N ASP A 45 128.453 -5.939 5.244 1.00 0.00 N ATOM 736 CA ASP A 45 129.843 -6.463 5.178 1.00 0.00 C ATOM 737 C ASP A 45 130.593 -5.754 4.050 1.00 0.00 C ATOM 738 O ASP A 45 131.807 -5.742 4.005 1.00 0.00 O ATOM 739 CB ASP A 45 129.694 -7.955 4.874 1.00 0.00 C ATOM 740 CG ASP A 45 131.033 -8.660 5.099 1.00 0.00 C ATOM 741 OD1 ASP A 45 131.643 -8.415 6.127 1.00 0.00 O ATOM 742 OD2 ASP A 45 131.424 -9.432 4.240 1.00 0.00 O ATOM 0 H ASP A 45 127.717 -6.642 5.179 1.00 0.00 H new ATOM 0 HA ASP A 45 130.402 -6.299 6.099 1.00 0.00 H new ATOM 0 HB2 ASP A 45 128.929 -8.393 5.515 1.00 0.00 H new ATOM 0 HB3 ASP A 45 129.366 -8.096 3.844 1.00 0.00 H new ATOM 747 N LEU A 46 129.870 -5.157 3.141 1.00 0.00 N ATOM 748 CA LEU A 46 130.525 -4.440 2.014 1.00 0.00 C ATOM 749 C LEU A 46 130.880 -3.012 2.434 1.00 0.00 C ATOM 750 O LEU A 46 131.880 -2.464 2.017 1.00 0.00 O ATOM 751 CB LEU A 46 129.483 -4.427 0.895 1.00 0.00 C ATOM 752 CG LEU A 46 129.551 -5.742 0.120 1.00 0.00 C ATOM 753 CD1 LEU A 46 128.208 -6.002 -0.565 1.00 0.00 C ATOM 754 CD2 LEU A 46 130.654 -5.653 -0.938 1.00 0.00 C ATOM 0 H LEU A 46 128.850 -5.136 3.132 1.00 0.00 H new ATOM 0 HA LEU A 46 131.453 -4.919 1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 46 128.486 -4.290 1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 46 129.665 -3.587 0.224 1.00 0.00 H new ATOM 0 HG LEU A 46 129.771 -6.558 0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 46 128.257 -6.940 -1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 46 127.422 -6.065 0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 46 127.987 -5.186 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 46 130.704 -6.591 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 46 130.433 -4.837 -1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 46 131.611 -5.468 -0.451 1.00 0.00 H new ATOM 766 N THR A 47 130.072 -2.405 3.261 1.00 0.00 N ATOM 767 CA THR A 47 130.382 -1.014 3.702 1.00 0.00 C ATOM 768 C THR A 47 131.773 -0.976 4.330 1.00 0.00 C ATOM 769 O THR A 47 132.543 -0.064 4.103 1.00 0.00 O ATOM 770 CB THR A 47 129.316 -0.662 4.739 1.00 0.00 C ATOM 771 OG1 THR A 47 129.370 -1.595 5.808 1.00 0.00 O ATOM 772 CG2 THR A 47 127.938 -0.705 4.086 1.00 0.00 C ATOM 0 H THR A 47 129.218 -2.807 3.648 1.00 0.00 H new ATOM 0 HA THR A 47 130.376 -0.307 2.873 1.00 0.00 H new ATOM 0 HB THR A 47 129.500 0.340 5.126 1.00 0.00 H new ATOM 0 HG1 THR A 47 128.981 -2.447 5.519 1.00 0.00 H new ATOM 0 HG21 THR A 47 127.177 -0.454 4.825 1.00 0.00 H new ATOM 0 HG22 THR A 47 127.900 0.014 3.268 1.00 0.00 H new ATOM 0 HG23 THR A 47 127.750 -1.706 3.698 1.00 0.00 H new ATOM 780 N TYR A 48 132.102 -1.968 5.112 1.00 0.00 N ATOM 781 CA TYR A 48 133.453 -1.995 5.747 1.00 0.00 C ATOM 782 C TYR A 48 134.503 -1.591 4.712 1.00 0.00 C ATOM 783 O TYR A 48 135.394 -0.810 4.981 1.00 0.00 O ATOM 784 CB TYR A 48 133.663 -3.444 6.185 1.00 0.00 C ATOM 785 CG TYR A 48 132.747 -3.760 7.341 1.00 0.00 C ATOM 786 CD1 TYR A 48 133.125 -3.421 8.646 1.00 0.00 C ATOM 787 CD2 TYR A 48 131.521 -4.393 7.109 1.00 0.00 C ATOM 788 CE1 TYR A 48 132.275 -3.715 9.719 1.00 0.00 C ATOM 789 CE2 TYR A 48 130.671 -4.687 8.182 1.00 0.00 C ATOM 790 CZ TYR A 48 131.048 -4.348 9.487 1.00 0.00 C ATOM 791 OH TYR A 48 130.211 -4.639 10.545 1.00 0.00 O ATOM 0 H TYR A 48 131.498 -2.758 5.339 1.00 0.00 H new ATOM 0 HA TYR A 48 133.536 -1.308 6.589 1.00 0.00 H new ATOM 0 HB2 TYR A 48 133.462 -4.119 5.353 1.00 0.00 H new ATOM 0 HB3 TYR A 48 134.701 -3.599 6.477 1.00 0.00 H new ATOM 0 HD1 TYR A 48 134.072 -2.933 8.825 1.00 0.00 H new ATOM 0 HD2 TYR A 48 131.230 -4.655 6.102 1.00 0.00 H new ATOM 0 HE1 TYR A 48 132.566 -3.453 10.726 1.00 0.00 H new ATOM 0 HE2 TYR A 48 129.724 -5.175 8.003 1.00 0.00 H new ATOM 0 HH TYR A 48 129.361 -4.988 10.204 1.00 0.00 H new ATOM 801 N ASN A 49 134.387 -2.112 3.523 1.00 0.00 N ATOM 802 CA ASN A 49 135.355 -1.756 2.447 1.00 0.00 C ATOM 803 C ASN A 49 135.333 -0.259 2.202 1.00 0.00 C ATOM 804 O ASN A 49 134.926 0.518 3.041 1.00 0.00 O ATOM 805 CB ASN A 49 134.871 -2.520 1.211 1.00 0.00 C ATOM 806 CG ASN A 49 135.709 -3.787 1.034 1.00 0.00 C ATOM 807 OD1 ASN A 49 136.920 -3.722 0.945 1.00 0.00 O ATOM 808 ND2 ASN A 49 135.114 -4.948 0.979 1.00 0.00 N ATOM 0 H ASN A 49 133.660 -2.772 3.248 1.00 0.00 H new ATOM 0 HA ASN A 49 136.381 -2.017 2.705 1.00 0.00 H new ATOM 0 HB2 ASN A 49 133.818 -2.780 1.320 1.00 0.00 H new ATOM 0 HB3 ASN A 49 134.954 -1.890 0.325 1.00 0.00 H new ATOM 0 HD21 ASN A 49 135.665 -5.798 0.862 1.00 0.00 H new ATOM 0 HD22 ASN A 49 134.098 -5.005 1.053 1.00 0.00 H new ATOM 815 N VAL A 50 135.802 0.148 1.071 1.00 0.00 N ATOM 816 CA VAL A 50 135.856 1.589 0.767 1.00 0.00 C ATOM 817 C VAL A 50 135.058 1.859 -0.507 1.00 0.00 C ATOM 818 O VAL A 50 134.443 2.896 -0.663 1.00 0.00 O ATOM 819 CB VAL A 50 137.349 1.860 0.583 1.00 0.00 C ATOM 820 CG1 VAL A 50 138.142 1.160 1.707 1.00 0.00 C ATOM 821 CG2 VAL A 50 137.802 1.311 -0.771 1.00 0.00 C ATOM 0 H VAL A 50 136.155 -0.463 0.335 1.00 0.00 H new ATOM 0 HA VAL A 50 135.426 2.230 1.536 1.00 0.00 H new ATOM 0 HB VAL A 50 137.530 2.934 0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 50 139.207 1.353 1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 50 137.820 1.546 2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 50 137.960 0.086 1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 50 138.867 1.503 -0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 50 137.620 0.237 -0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 50 137.243 1.801 -1.568 1.00 0.00 H new ATOM 831 N VAL A 51 135.048 0.917 -1.406 1.00 0.00 N ATOM 832 CA VAL A 51 134.274 1.091 -2.663 1.00 0.00 C ATOM 833 C VAL A 51 132.830 0.667 -2.442 1.00 0.00 C ATOM 834 O VAL A 51 131.917 1.469 -2.443 1.00 0.00 O ATOM 835 CB VAL A 51 134.919 0.133 -3.663 1.00 0.00 C ATOM 836 CG1 VAL A 51 133.943 -0.149 -4.820 1.00 0.00 C ATOM 837 CG2 VAL A 51 136.203 0.760 -4.200 1.00 0.00 C ATOM 0 H VAL A 51 135.545 0.030 -1.323 1.00 0.00 H new ATOM 0 HA VAL A 51 134.280 2.126 -3.003 1.00 0.00 H new ATOM 0 HB VAL A 51 135.156 -0.809 -3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 51 134.408 -0.833 -5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 51 133.032 -0.600 -4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 51 133.697 0.785 -5.324 1.00 0.00 H new ATOM 0 HG21 VAL A 51 136.668 0.081 -4.914 1.00 0.00 H new ATOM 0 HG22 VAL A 51 135.968 1.702 -4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 51 136.890 0.945 -3.375 1.00 0.00 H new ATOM 847 N ALA A 52 132.633 -0.611 -2.296 1.00 0.00 N ATOM 848 CA ALA A 52 131.267 -1.149 -2.120 1.00 0.00 C ATOM 849 C ALA A 52 130.426 -0.219 -1.244 1.00 0.00 C ATOM 850 O ALA A 52 129.260 0.003 -1.503 1.00 0.00 O ATOM 851 CB ALA A 52 131.460 -2.498 -1.433 1.00 0.00 C ATOM 0 H ALA A 52 133.374 -1.312 -2.292 1.00 0.00 H new ATOM 0 HA ALA A 52 130.741 -1.241 -3.070 1.00 0.00 H new ATOM 0 HB1 ALA A 52 130.489 -2.964 -1.266 1.00 0.00 H new ATOM 0 HB2 ALA A 52 132.069 -3.144 -2.065 1.00 0.00 H new ATOM 0 HB3 ALA A 52 131.961 -2.351 -0.476 1.00 0.00 H new ATOM 857 N PHE A 53 131.004 0.323 -0.209 1.00 0.00 N ATOM 858 CA PHE A 53 130.236 1.236 0.681 1.00 0.00 C ATOM 859 C PHE A 53 129.626 2.381 -0.132 1.00 0.00 C ATOM 860 O PHE A 53 128.428 2.576 -0.147 1.00 0.00 O ATOM 861 CB PHE A 53 131.267 1.774 1.673 1.00 0.00 C ATOM 862 CG PHE A 53 130.695 2.980 2.368 1.00 0.00 C ATOM 863 CD1 PHE A 53 129.419 2.916 2.932 1.00 0.00 C ATOM 864 CD2 PHE A 53 131.436 4.162 2.437 1.00 0.00 C ATOM 865 CE1 PHE A 53 128.880 4.036 3.570 1.00 0.00 C ATOM 866 CE2 PHE A 53 130.899 5.287 3.076 1.00 0.00 C ATOM 867 CZ PHE A 53 129.619 5.224 3.642 1.00 0.00 C ATOM 0 H PHE A 53 131.977 0.173 0.059 1.00 0.00 H new ATOM 0 HA PHE A 53 129.411 0.729 1.181 1.00 0.00 H new ATOM 0 HB2 PHE A 53 131.524 1.006 2.402 1.00 0.00 H new ATOM 0 HB3 PHE A 53 132.187 2.040 1.153 1.00 0.00 H new ATOM 0 HD1 PHE A 53 128.849 2.001 2.875 1.00 0.00 H new ATOM 0 HD2 PHE A 53 132.422 4.209 1.998 1.00 0.00 H new ATOM 0 HE1 PHE A 53 127.894 3.986 4.008 1.00 0.00 H new ATOM 0 HE2 PHE A 53 131.471 6.201 3.132 1.00 0.00 H new ATOM 0 HZ PHE A 53 129.202 6.091 4.133 1.00 0.00 H new ATOM 877 N SER A 54 130.444 3.147 -0.802 1.00 0.00 N ATOM 878 CA SER A 54 129.909 4.279 -1.611 1.00 0.00 C ATOM 879 C SER A 54 128.868 3.766 -2.609 1.00 0.00 C ATOM 880 O SER A 54 127.840 4.379 -2.818 1.00 0.00 O ATOM 881 CB SER A 54 131.122 4.848 -2.347 1.00 0.00 C ATOM 882 OG SER A 54 132.008 5.439 -1.405 1.00 0.00 O ATOM 0 H SER A 54 131.458 3.038 -0.824 1.00 0.00 H new ATOM 0 HA SER A 54 129.417 5.032 -0.995 1.00 0.00 H new ATOM 0 HB2 SER A 54 131.632 4.057 -2.897 1.00 0.00 H new ATOM 0 HB3 SER A 54 130.803 5.590 -3.079 1.00 0.00 H new ATOM 0 HG SER A 54 132.788 5.803 -1.873 1.00 0.00 H new ATOM 888 N GLU A 55 129.125 2.641 -3.221 1.00 0.00 N ATOM 889 CA GLU A 55 128.147 2.087 -4.201 1.00 0.00 C ATOM 890 C GLU A 55 126.851 1.696 -3.483 1.00 0.00 C ATOM 891 O GLU A 55 125.789 1.656 -4.070 1.00 0.00 O ATOM 892 CB GLU A 55 128.829 0.848 -4.786 1.00 0.00 C ATOM 893 CG GLU A 55 130.286 1.172 -5.127 1.00 0.00 C ATOM 894 CD GLU A 55 130.556 0.831 -6.593 1.00 0.00 C ATOM 895 OE1 GLU A 55 130.927 -0.300 -6.860 1.00 0.00 O ATOM 896 OE2 GLU A 55 130.388 1.708 -7.425 1.00 0.00 O ATOM 0 H GLU A 55 129.968 2.083 -3.085 1.00 0.00 H new ATOM 0 HA GLU A 55 127.881 2.808 -4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 55 128.787 0.026 -4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 55 128.301 0.519 -5.681 1.00 0.00 H new ATOM 0 HG2 GLU A 55 130.487 2.228 -4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 55 130.956 0.605 -4.481 1.00 0.00 H new ATOM 903 N ILE A 56 126.937 1.410 -2.212 1.00 0.00 N ATOM 904 CA ILE A 56 125.719 1.020 -1.445 1.00 0.00 C ATOM 905 C ILE A 56 124.909 2.265 -1.073 1.00 0.00 C ATOM 906 O ILE A 56 123.842 2.502 -1.604 1.00 0.00 O ATOM 907 CB ILE A 56 126.253 0.327 -0.190 1.00 0.00 C ATOM 908 CG1 ILE A 56 126.712 -1.087 -0.552 1.00 0.00 C ATOM 909 CG2 ILE A 56 125.148 0.246 0.864 1.00 0.00 C ATOM 910 CD1 ILE A 56 127.869 -1.502 0.360 1.00 0.00 C ATOM 0 H ILE A 56 127.801 1.430 -1.670 1.00 0.00 H new ATOM 0 HA ILE A 56 125.055 0.372 -2.017 1.00 0.00 H new ATOM 0 HB ILE A 56 127.092 0.897 0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 56 125.883 -1.787 -0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 56 127.027 -1.122 -1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 56 125.532 -0.248 1.756 1.00 0.00 H new ATOM 0 HG22 ILE A 56 124.816 1.252 1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 56 124.308 -0.324 0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 56 128.194 -2.509 0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 56 128.700 -0.808 0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 56 127.538 -1.484 1.398 1.00 0.00 H new ATOM 922 N MET A 57 125.409 3.067 -0.173 1.00 0.00 N ATOM 923 CA MET A 57 124.664 4.299 0.220 1.00 0.00 C ATOM 924 C MET A 57 124.208 5.045 -1.035 1.00 0.00 C ATOM 925 O MET A 57 123.113 5.562 -1.097 1.00 0.00 O ATOM 926 CB MET A 57 125.669 5.140 1.007 1.00 0.00 C ATOM 927 CG MET A 57 125.603 4.765 2.489 1.00 0.00 C ATOM 928 SD MET A 57 126.297 6.111 3.482 1.00 0.00 S ATOM 929 CE MET A 57 124.748 6.999 3.774 1.00 0.00 C ATOM 0 H MET A 57 126.298 2.924 0.306 1.00 0.00 H new ATOM 0 HA MET A 57 123.774 4.079 0.810 1.00 0.00 H new ATOM 0 HB2 MET A 57 126.676 4.974 0.624 1.00 0.00 H new ATOM 0 HB3 MET A 57 125.450 6.200 0.880 1.00 0.00 H new ATOM 0 HG2 MET A 57 124.570 4.577 2.782 1.00 0.00 H new ATOM 0 HG3 MET A 57 126.157 3.844 2.667 1.00 0.00 H new ATOM 0 HE1 MET A 57 124.892 7.730 4.570 1.00 0.00 H new ATOM 0 HE2 MET A 57 124.445 7.512 2.861 1.00 0.00 H new ATOM 0 HE3 MET A 57 123.973 6.291 4.067 1.00 0.00 H new ATOM 939 N SER A 58 125.041 5.097 -2.039 1.00 0.00 N ATOM 940 CA SER A 58 124.650 5.802 -3.293 1.00 0.00 C ATOM 941 C SER A 58 123.314 5.256 -3.798 1.00 0.00 C ATOM 942 O SER A 58 122.356 5.985 -3.961 1.00 0.00 O ATOM 943 CB SER A 58 125.770 5.495 -4.287 1.00 0.00 C ATOM 944 OG SER A 58 125.505 6.166 -5.512 1.00 0.00 O ATOM 0 H SER A 58 125.973 4.683 -2.045 1.00 0.00 H new ATOM 0 HA SER A 58 124.524 6.875 -3.148 1.00 0.00 H new ATOM 0 HB2 SER A 58 126.730 5.817 -3.883 1.00 0.00 H new ATOM 0 HB3 SER A 58 125.839 4.420 -4.455 1.00 0.00 H new ATOM 0 HG SER A 58 126.222 5.973 -6.152 1.00 0.00 H new ATOM 950 N MET A 59 123.238 3.974 -4.037 1.00 0.00 N ATOM 951 CA MET A 59 121.958 3.384 -4.520 1.00 0.00 C ATOM 952 C MET A 59 120.869 3.586 -3.464 1.00 0.00 C ATOM 953 O MET A 59 119.691 3.589 -3.761 1.00 0.00 O ATOM 954 CB MET A 59 122.253 1.896 -4.717 1.00 0.00 C ATOM 955 CG MET A 59 123.051 1.701 -6.008 1.00 0.00 C ATOM 956 SD MET A 59 122.070 2.278 -7.416 1.00 0.00 S ATOM 957 CE MET A 59 122.914 1.311 -8.691 1.00 0.00 C ATOM 0 H MET A 59 124.005 3.312 -3.919 1.00 0.00 H new ATOM 0 HA MET A 59 121.604 3.847 -5.441 1.00 0.00 H new ATOM 0 HB2 MET A 59 122.816 1.510 -3.867 1.00 0.00 H new ATOM 0 HB3 MET A 59 121.321 1.333 -4.764 1.00 0.00 H new ATOM 0 HG2 MET A 59 123.990 2.252 -5.955 1.00 0.00 H new ATOM 0 HG3 MET A 59 123.306 0.649 -6.135 1.00 0.00 H new ATOM 0 HE1 MET A 59 122.462 1.516 -9.662 1.00 0.00 H new ATOM 0 HE2 MET A 59 123.969 1.585 -8.717 1.00 0.00 H new ATOM 0 HE3 MET A 59 122.820 0.249 -8.464 1.00 0.00 H new ATOM 967 N ILE A 60 121.260 3.764 -2.232 1.00 0.00 N ATOM 968 CA ILE A 60 120.258 3.978 -1.149 1.00 0.00 C ATOM 969 C ILE A 60 119.652 5.381 -1.289 1.00 0.00 C ATOM 970 O ILE A 60 118.502 5.604 -0.968 1.00 0.00 O ATOM 971 CB ILE A 60 121.058 3.813 0.156 1.00 0.00 C ATOM 972 CG1 ILE A 60 120.796 2.418 0.730 1.00 0.00 C ATOM 973 CG2 ILE A 60 120.645 4.865 1.193 1.00 0.00 C ATOM 974 CD1 ILE A 60 122.102 1.622 0.762 1.00 0.00 C ATOM 0 H ILE A 60 122.233 3.771 -1.928 1.00 0.00 H new ATOM 0 HA ILE A 60 119.421 3.281 -1.181 1.00 0.00 H new ATOM 0 HB ILE A 60 122.117 3.943 -0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 60 120.383 2.499 1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 60 120.056 1.897 0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 60 121.226 4.725 2.105 1.00 0.00 H new ATOM 0 HG22 ILE A 60 120.831 5.862 0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 60 119.584 4.757 1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 60 121.913 0.629 1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 60 122.496 1.529 -0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 60 122.829 2.140 1.388 1.00 0.00 H new ATOM 986 N TRP A 61 120.416 6.321 -1.773 1.00 0.00 N ATOM 987 CA TRP A 61 119.882 7.703 -1.942 1.00 0.00 C ATOM 988 C TRP A 61 118.941 7.749 -3.147 1.00 0.00 C ATOM 989 O TRP A 61 117.864 8.310 -3.086 1.00 0.00 O ATOM 990 CB TRP A 61 121.112 8.578 -2.188 1.00 0.00 C ATOM 991 CG TRP A 61 121.937 8.644 -0.942 1.00 0.00 C ATOM 992 CD1 TRP A 61 123.270 8.427 -0.881 1.00 0.00 C ATOM 993 CD2 TRP A 61 121.508 8.944 0.419 1.00 0.00 C ATOM 994 NE1 TRP A 61 123.687 8.575 0.430 1.00 0.00 N ATOM 995 CE2 TRP A 61 122.638 8.893 1.268 1.00 0.00 C ATOM 996 CE3 TRP A 61 120.261 9.253 0.993 1.00 0.00 C ATOM 997 CZ2 TRP A 61 122.536 9.139 2.638 1.00 0.00 C ATOM 998 CZ3 TRP A 61 120.154 9.501 2.371 1.00 0.00 C ATOM 999 CH2 TRP A 61 121.290 9.444 3.191 1.00 0.00 C ATOM 0 H TRP A 61 121.387 6.193 -2.059 1.00 0.00 H new ATOM 0 HA TRP A 61 119.314 8.040 -1.075 1.00 0.00 H new ATOM 0 HB2 TRP A 61 121.704 8.169 -3.007 1.00 0.00 H new ATOM 0 HB3 TRP A 61 120.804 9.580 -2.486 1.00 0.00 H new ATOM 0 HD1 TRP A 61 123.905 8.179 -1.718 1.00 0.00 H new ATOM 0 HE1 TRP A 61 124.652 8.463 0.739 1.00 0.00 H new ATOM 0 HE3 TRP A 61 119.380 9.300 0.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 123.414 9.094 3.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 119.192 9.737 2.801 1.00 0.00 H new ATOM 0 HH2 TRP A 61 121.202 9.636 4.250 1.00 0.00 H new ATOM 1010 N LYS A 62 119.334 7.154 -4.241 1.00 0.00 N ATOM 1011 CA LYS A 62 118.457 7.154 -5.447 1.00 0.00 C ATOM 1012 C LYS A 62 117.154 6.416 -5.137 1.00 0.00 C ATOM 1013 O LYS A 62 116.073 6.934 -5.332 1.00 0.00 O ATOM 1014 CB LYS A 62 119.256 6.413 -6.519 1.00 0.00 C ATOM 1015 CG LYS A 62 120.275 7.366 -7.148 1.00 0.00 C ATOM 1016 CD LYS A 62 121.688 6.945 -6.740 1.00 0.00 C ATOM 1017 CE LYS A 62 122.680 7.354 -7.831 1.00 0.00 C ATOM 1018 NZ LYS A 62 123.484 6.129 -8.097 1.00 0.00 N ATOM 0 H LYS A 62 120.224 6.668 -4.352 1.00 0.00 H new ATOM 0 HA LYS A 62 118.188 8.160 -5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 62 119.767 5.556 -6.079 1.00 0.00 H new ATOM 0 HB3 LYS A 62 118.584 6.025 -7.285 1.00 0.00 H new ATOM 0 HG2 LYS A 62 120.179 7.352 -8.234 1.00 0.00 H new ATOM 0 HG3 LYS A 62 120.081 8.388 -6.824 1.00 0.00 H new ATOM 0 HD2 LYS A 62 121.959 7.413 -5.794 1.00 0.00 H new ATOM 0 HD3 LYS A 62 121.727 5.867 -6.585 1.00 0.00 H new ATOM 0 HE2 LYS A 62 122.163 7.690 -8.730 1.00 0.00 H new ATOM 0 HE3 LYS A 62 123.313 8.178 -7.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 124.069 6.275 -8.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 124.099 5.934 -7.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 122.846 5.322 -8.251 1.00 0.00 H new ATOM 1032 N ARG A 63 117.248 5.211 -4.643 1.00 0.00 N ATOM 1033 CA ARG A 63 116.014 4.444 -4.310 1.00 0.00 C ATOM 1034 C ARG A 63 115.233 5.173 -3.214 1.00 0.00 C ATOM 1035 O ARG A 63 114.019 5.182 -3.203 1.00 0.00 O ATOM 1036 CB ARG A 63 116.512 3.089 -3.803 1.00 0.00 C ATOM 1037 CG ARG A 63 117.154 2.315 -4.956 1.00 0.00 C ATOM 1038 CD ARG A 63 116.094 1.998 -6.013 1.00 0.00 C ATOM 1039 NE ARG A 63 116.207 3.096 -7.012 1.00 0.00 N ATOM 1040 CZ ARG A 63 117.182 3.093 -7.883 1.00 0.00 C ATOM 1041 NH1 ARG A 63 118.104 2.170 -7.832 1.00 0.00 N ATOM 1042 NH2 ARG A 63 117.234 4.015 -8.805 1.00 0.00 N ATOM 0 H ARG A 63 118.125 4.725 -4.456 1.00 0.00 H new ATOM 0 HA ARG A 63 115.347 4.335 -5.165 1.00 0.00 H new ATOM 0 HB2 ARG A 63 117.236 3.233 -3.001 1.00 0.00 H new ATOM 0 HB3 ARG A 63 115.683 2.518 -3.386 1.00 0.00 H new ATOM 0 HG2 ARG A 63 117.959 2.902 -5.398 1.00 0.00 H new ATOM 0 HG3 ARG A 63 117.599 1.392 -4.585 1.00 0.00 H new ATOM 0 HD2 ARG A 63 116.273 1.026 -6.473 1.00 0.00 H new ATOM 0 HD3 ARG A 63 115.097 1.964 -5.574 1.00 0.00 H new ATOM 0 HE ARG A 63 115.522 3.852 -7.017 1.00 0.00 H new ATOM 0 HH11 ARG A 63 118.065 1.449 -7.111 1.00 0.00 H new ATOM 0 HH12 ARG A 63 118.864 2.170 -8.513 1.00 0.00 H new ATOM 0 HH21 ARG A 63 116.515 4.737 -8.846 1.00 0.00 H new ATOM 0 HH22 ARG A 63 117.994 4.014 -9.485 1.00 0.00 H new ATOM 1056 N LEU A 64 115.925 5.788 -2.294 1.00 0.00 N ATOM 1057 CA LEU A 64 115.227 6.522 -1.200 1.00 0.00 C ATOM 1058 C LEU A 64 114.248 7.530 -1.789 1.00 0.00 C ATOM 1059 O LEU A 64 113.291 7.926 -1.157 1.00 0.00 O ATOM 1060 CB LEU A 64 116.328 7.256 -0.446 1.00 0.00 C ATOM 1061 CG LEU A 64 116.592 6.546 0.880 1.00 0.00 C ATOM 1062 CD1 LEU A 64 117.780 7.201 1.587 1.00 0.00 C ATOM 1063 CD2 LEU A 64 115.345 6.652 1.760 1.00 0.00 C ATOM 0 H LEU A 64 116.944 5.814 -2.253 1.00 0.00 H new ATOM 0 HA LEU A 64 114.661 5.850 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 64 117.239 7.283 -1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 64 116.034 8.290 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 64 116.822 5.497 0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 64 117.966 6.692 2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 64 118.665 7.127 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.556 8.251 1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 64 115.525 6.147 2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 64 115.118 7.702 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 64 114.502 6.182 1.254 1.00 0.00 H new ATOM 1075 N ASN A 65 114.485 7.950 -2.995 1.00 0.00 N ATOM 1076 CA ASN A 65 113.575 8.928 -3.631 1.00 0.00 C ATOM 1077 C ASN A 65 113.029 8.334 -4.929 1.00 0.00 C ATOM 1078 O ASN A 65 113.061 8.955 -5.973 1.00 0.00 O ATOM 1079 CB ASN A 65 114.441 10.155 -3.917 1.00 0.00 C ATOM 1080 CG ASN A 65 113.558 11.303 -4.409 1.00 0.00 C ATOM 1081 OD1 ASN A 65 112.973 12.017 -3.620 1.00 0.00 O ATOM 1082 ND2 ASN A 65 113.436 11.512 -5.692 1.00 0.00 N ATOM 0 H ASN A 65 115.275 7.655 -3.569 1.00 0.00 H new ATOM 0 HA ASN A 65 112.722 9.184 -3.003 1.00 0.00 H new ATOM 0 HB2 ASN A 65 114.975 10.454 -3.015 1.00 0.00 H new ATOM 0 HB3 ASN A 65 115.194 9.914 -4.668 1.00 0.00 H new ATOM 0 HD21 ASN A 65 112.850 12.275 -6.031 1.00 0.00 H new ATOM 0 HD22 ASN A 65 113.927 10.913 -6.355 1.00 0.00 H new ATOM 1161 N TRP A 71 105.895 6.341 -1.555 1.00 0.00 N ATOM 1162 CA TRP A 71 106.793 6.025 -0.413 1.00 0.00 C ATOM 1163 C TRP A 71 107.104 4.525 -0.375 1.00 0.00 C ATOM 1164 O TRP A 71 107.529 3.997 0.633 1.00 0.00 O ATOM 1165 CB TRP A 71 105.990 6.432 0.818 1.00 0.00 C ATOM 1166 CG TRP A 71 104.823 5.510 0.977 1.00 0.00 C ATOM 1167 CD1 TRP A 71 103.598 5.711 0.439 1.00 0.00 C ATOM 1168 CD2 TRP A 71 104.747 4.249 1.705 1.00 0.00 C ATOM 1169 NE1 TRP A 71 102.775 4.657 0.792 1.00 0.00 N ATOM 1170 CE2 TRP A 71 103.438 3.730 1.573 1.00 0.00 C ATOM 1171 CE3 TRP A 71 105.678 3.512 2.461 1.00 0.00 C ATOM 1172 CZ2 TRP A 71 103.064 2.525 2.167 1.00 0.00 C ATOM 1173 CZ3 TRP A 71 105.305 2.298 3.062 1.00 0.00 C ATOM 1174 CH2 TRP A 71 104.000 1.806 2.914 1.00 0.00 C ATOM 0 HA TRP A 71 107.751 6.541 -0.479 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.621 6.394 1.706 1.00 0.00 H new ATOM 0 HB3 TRP A 71 105.644 7.461 0.716 1.00 0.00 H new ATOM 0 HD1 TRP A 71 103.310 6.557 -0.167 1.00 0.00 H new ATOM 0 HE1 TRP A 71 101.798 4.574 0.510 1.00 0.00 H new ATOM 0 HE3 TRP A 71 106.686 3.882 2.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 102.058 2.150 2.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 106.027 1.741 3.641 1.00 0.00 H new ATOM 0 HH2 TRP A 71 103.719 0.872 3.377 1.00 0.00 H new ATOM 1185 N ARG A 72 106.890 3.834 -1.461 1.00 0.00 N ATOM 1186 CA ARG A 72 107.167 2.367 -1.477 1.00 0.00 C ATOM 1187 C ARG A 72 108.676 2.106 -1.454 1.00 0.00 C ATOM 1188 O ARG A 72 109.221 1.639 -0.472 1.00 0.00 O ATOM 1189 CB ARG A 72 106.559 1.866 -2.787 1.00 0.00 C ATOM 1190 CG ARG A 72 105.085 1.524 -2.567 1.00 0.00 C ATOM 1191 CD ARG A 72 104.975 0.305 -1.649 1.00 0.00 C ATOM 1192 NE ARG A 72 103.993 -0.591 -2.319 1.00 0.00 N ATOM 1193 CZ ARG A 72 103.876 -1.834 -1.938 1.00 0.00 C ATOM 1194 NH1 ARG A 72 104.095 -2.158 -0.693 1.00 0.00 N ATOM 1195 NH2 ARG A 72 103.540 -2.751 -2.802 1.00 0.00 N ATOM 0 H ARG A 72 106.536 4.219 -2.337 1.00 0.00 H new ATOM 0 HA ARG A 72 106.747 1.861 -0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 72 106.655 2.629 -3.560 1.00 0.00 H new ATOM 0 HB3 ARG A 72 107.099 0.987 -3.138 1.00 0.00 H new ATOM 0 HG2 ARG A 72 104.566 2.374 -2.124 1.00 0.00 H new ATOM 0 HG3 ARG A 72 104.602 1.318 -3.522 1.00 0.00 H new ATOM 0 HD2 ARG A 72 105.940 -0.187 -1.528 1.00 0.00 H new ATOM 0 HD3 ARG A 72 104.635 0.590 -0.653 1.00 0.00 H new ATOM 0 HE ARG A 72 103.411 -0.233 -3.076 1.00 0.00 H new ATOM 0 HH11 ARG A 72 104.358 -1.440 -0.018 1.00 0.00 H new ATOM 0 HH12 ARG A 72 104.004 -3.129 -0.395 1.00 0.00 H new ATOM 0 HH21 ARG A 72 103.369 -2.497 -3.775 1.00 0.00 H new ATOM 0 HH22 ARG A 72 103.448 -3.722 -2.505 1.00 0.00 H new ATOM 1209 N HIS A 73 109.355 2.402 -2.527 1.00 0.00 N ATOM 1210 CA HIS A 73 110.826 2.167 -2.565 1.00 0.00 C ATOM 1211 C HIS A 73 111.507 2.899 -1.405 1.00 0.00 C ATOM 1212 O HIS A 73 112.293 2.329 -0.678 1.00 0.00 O ATOM 1213 CB HIS A 73 111.284 2.739 -3.906 1.00 0.00 C ATOM 1214 CG HIS A 73 111.786 1.624 -4.782 1.00 0.00 C ATOM 1215 ND1 HIS A 73 113.014 1.019 -4.882 1.00 0.00 N flip ATOM 1216 CD2 HIS A 73 110.975 0.991 -5.710 1.00 0.00 C flip ATOM 1217 CE1 HIS A 73 112.969 0.025 -5.855 1.00 0.00 C flip ATOM 1218 NE2 HIS A 73 111.717 0.051 -6.322 1.00 0.00 N flip ATOM 0 H HIS A 73 108.956 2.796 -3.379 1.00 0.00 H new ATOM 0 HA HIS A 73 111.080 1.112 -2.466 1.00 0.00 H new ATOM 0 HB2 HIS A 73 110.458 3.255 -4.394 1.00 0.00 H new ATOM 0 HB3 HIS A 73 112.072 3.475 -3.749 1.00 0.00 H new ATOM 0 HD2 HIS A 73 109.936 1.212 -5.906 1.00 0.00 H new ATOM 0 HE1 HIS A 73 113.772 -0.627 -6.166 1.00 0.00 H new ATOM 0 HE2 HIS A 73 111.367 -0.567 -7.054 1.00 0.00 H new ATOM 1226 N VAL A 74 111.206 4.155 -1.229 1.00 0.00 N ATOM 1227 CA VAL A 74 111.830 4.927 -0.115 1.00 0.00 C ATOM 1228 C VAL A 74 111.832 4.101 1.174 1.00 0.00 C ATOM 1229 O VAL A 74 112.853 3.926 1.808 1.00 0.00 O ATOM 1230 CB VAL A 74 110.940 6.156 0.049 1.00 0.00 C ATOM 1231 CG1 VAL A 74 111.483 7.024 1.186 1.00 0.00 C ATOM 1232 CG2 VAL A 74 110.926 6.958 -1.257 1.00 0.00 C ATOM 0 H VAL A 74 110.554 4.683 -1.809 1.00 0.00 H new ATOM 0 HA VAL A 74 112.867 5.188 -0.325 1.00 0.00 H new ATOM 0 HB VAL A 74 109.923 5.844 0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 74 110.850 7.903 1.307 1.00 0.00 H new ATOM 0 HG12 VAL A 74 111.487 6.450 2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 74 112.500 7.338 0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 74 110.290 7.835 -1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 74 111.940 7.275 -1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 74 110.538 6.335 -2.063 1.00 0.00 H new ATOM 1242 N TYR A 75 110.694 3.597 1.569 1.00 0.00 N ATOM 1243 CA TYR A 75 110.633 2.789 2.820 1.00 0.00 C ATOM 1244 C TYR A 75 111.726 1.718 2.811 1.00 0.00 C ATOM 1245 O TYR A 75 112.542 1.643 3.709 1.00 0.00 O ATOM 1246 CB TYR A 75 109.247 2.144 2.810 1.00 0.00 C ATOM 1247 CG TYR A 75 108.906 1.660 4.200 1.00 0.00 C ATOM 1248 CD1 TYR A 75 109.164 2.476 5.308 1.00 0.00 C ATOM 1249 CD2 TYR A 75 108.332 0.395 4.380 1.00 0.00 C ATOM 1250 CE1 TYR A 75 108.847 2.027 6.596 1.00 0.00 C ATOM 1251 CE2 TYR A 75 108.016 -0.053 5.668 1.00 0.00 C ATOM 1252 CZ TYR A 75 108.273 0.763 6.776 1.00 0.00 C ATOM 1253 OH TYR A 75 107.961 0.322 8.046 1.00 0.00 O ATOM 0 H TYR A 75 109.806 3.710 1.080 1.00 0.00 H new ATOM 0 HA TYR A 75 110.792 3.396 3.712 1.00 0.00 H new ATOM 0 HB2 TYR A 75 108.502 2.864 2.471 1.00 0.00 H new ATOM 0 HB3 TYR A 75 109.227 1.310 2.108 1.00 0.00 H new ATOM 0 HD1 TYR A 75 109.607 3.451 5.169 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.133 -0.235 3.525 1.00 0.00 H new ATOM 0 HE1 TYR A 75 109.045 2.656 7.451 1.00 0.00 H new ATOM 0 HE2 TYR A 75 107.574 -1.028 5.807 1.00 0.00 H new ATOM 0 HH TYR A 75 107.569 -0.575 7.994 1.00 0.00 H new ATOM 1263 N LYS A 76 111.749 0.887 1.806 1.00 0.00 N ATOM 1264 CA LYS A 76 112.792 -0.176 1.744 1.00 0.00 C ATOM 1265 C LYS A 76 114.189 0.451 1.807 1.00 0.00 C ATOM 1266 O LYS A 76 115.134 -0.153 2.278 1.00 0.00 O ATOM 1267 CB LYS A 76 112.574 -0.868 0.398 1.00 0.00 C ATOM 1268 CG LYS A 76 112.159 -2.323 0.630 1.00 0.00 C ATOM 1269 CD LYS A 76 110.710 -2.519 0.181 1.00 0.00 C ATOM 1270 CE LYS A 76 109.818 -2.727 1.407 1.00 0.00 C ATOM 1271 NZ LYS A 76 109.629 -4.201 1.499 1.00 0.00 N ATOM 0 H LYS A 76 111.092 0.898 1.026 1.00 0.00 H new ATOM 0 HA LYS A 76 112.720 -0.875 2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 76 111.804 -0.346 -0.170 1.00 0.00 H new ATOM 0 HB3 LYS A 76 113.488 -0.830 -0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 76 112.816 -2.992 0.075 1.00 0.00 H new ATOM 0 HG3 LYS A 76 112.261 -2.578 1.685 1.00 0.00 H new ATOM 0 HD2 LYS A 76 110.373 -1.650 -0.384 1.00 0.00 H new ATOM 0 HD3 LYS A 76 110.638 -3.379 -0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 76 110.287 -2.332 2.308 1.00 0.00 H new ATOM 0 HE3 LYS A 76 108.864 -2.213 1.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 109.027 -4.423 2.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 109.175 -4.548 0.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 110.554 -4.663 1.614 1.00 0.00 H new ATOM 1285 N ALA A 77 114.322 1.663 1.339 1.00 0.00 N ATOM 1286 CA ALA A 77 115.652 2.333 1.374 1.00 0.00 C ATOM 1287 C ALA A 77 116.012 2.695 2.815 1.00 0.00 C ATOM 1288 O ALA A 77 117.158 2.643 3.212 1.00 0.00 O ATOM 1289 CB ALA A 77 115.480 3.592 0.525 1.00 0.00 C ATOM 0 H ALA A 77 113.567 2.217 0.934 1.00 0.00 H new ATOM 0 HA ALA A 77 116.453 1.698 0.996 1.00 0.00 H new ATOM 0 HB1 ALA A 77 116.419 4.145 0.500 1.00 0.00 H new ATOM 0 HB2 ALA A 77 115.197 3.311 -0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 77 114.701 4.219 0.958 1.00 0.00 H new ATOM 1295 N MET A 78 115.036 3.052 3.600 1.00 0.00 N ATOM 1296 CA MET A 78 115.313 3.408 5.020 1.00 0.00 C ATOM 1297 C MET A 78 115.899 2.199 5.750 1.00 0.00 C ATOM 1298 O MET A 78 116.792 2.322 6.563 1.00 0.00 O ATOM 1299 CB MET A 78 113.952 3.782 5.609 1.00 0.00 C ATOM 1300 CG MET A 78 113.859 5.301 5.762 1.00 0.00 C ATOM 1301 SD MET A 78 113.501 6.046 4.153 1.00 0.00 S ATOM 1302 CE MET A 78 111.706 6.159 4.349 1.00 0.00 C ATOM 0 H MET A 78 114.057 3.113 3.320 1.00 0.00 H new ATOM 0 HA MET A 78 116.031 4.222 5.114 1.00 0.00 H new ATOM 0 HB2 MET A 78 113.153 3.422 4.961 1.00 0.00 H new ATOM 0 HB3 MET A 78 113.819 3.300 6.578 1.00 0.00 H new ATOM 0 HG2 MET A 78 113.077 5.558 6.476 1.00 0.00 H new ATOM 0 HG3 MET A 78 114.795 5.696 6.158 1.00 0.00 H new ATOM 0 HE1 MET A 78 111.219 5.524 3.610 1.00 0.00 H new ATOM 0 HE2 MET A 78 111.428 5.830 5.350 1.00 0.00 H new ATOM 0 HE3 MET A 78 111.389 7.192 4.205 1.00 0.00 H new ATOM 1312 N THR A 79 115.403 1.028 5.461 1.00 0.00 N ATOM 1313 CA THR A 79 115.932 -0.189 6.135 1.00 0.00 C ATOM 1314 C THR A 79 117.417 -0.360 5.818 1.00 0.00 C ATOM 1315 O THR A 79 118.257 -0.297 6.690 1.00 0.00 O ATOM 1316 CB THR A 79 115.118 -1.348 5.560 1.00 0.00 C ATOM 1317 OG1 THR A 79 113.733 -1.081 5.733 1.00 0.00 O ATOM 1318 CG2 THR A 79 115.483 -2.643 6.286 1.00 0.00 C ATOM 0 H THR A 79 114.655 0.862 4.788 1.00 0.00 H new ATOM 0 HA THR A 79 115.844 -0.134 7.220 1.00 0.00 H new ATOM 0 HB THR A 79 115.340 -1.456 4.498 1.00 0.00 H new ATOM 0 HG1 THR A 79 113.208 -1.822 5.364 1.00 0.00 H new ATOM 0 HG21 THR A 79 114.901 -3.468 5.874 1.00 0.00 H new ATOM 0 HG22 THR A 79 116.546 -2.847 6.154 1.00 0.00 H new ATOM 0 HG23 THR A 79 115.263 -2.539 7.348 1.00 0.00 H new ATOM 1326 N LEU A 80 117.747 -0.573 4.579 1.00 0.00 N ATOM 1327 CA LEU A 80 119.184 -0.743 4.220 1.00 0.00 C ATOM 1328 C LEU A 80 120.022 0.360 4.871 1.00 0.00 C ATOM 1329 O LEU A 80 120.980 0.094 5.564 1.00 0.00 O ATOM 1330 CB LEU A 80 119.240 -0.627 2.697 1.00 0.00 C ATOM 1331 CG LEU A 80 120.649 -0.976 2.222 1.00 0.00 C ATOM 1332 CD1 LEU A 80 121.078 -2.311 2.835 1.00 0.00 C ATOM 1333 CD2 LEU A 80 120.662 -1.087 0.696 1.00 0.00 C ATOM 0 H LEU A 80 117.091 -0.637 3.801 1.00 0.00 H new ATOM 0 HA LEU A 80 119.582 -1.697 4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 80 118.512 -1.299 2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 80 118.978 0.385 2.387 1.00 0.00 H new ATOM 0 HG LEU A 80 121.341 -0.194 2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 80 122.084 -2.561 2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 80 121.071 -2.231 3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 80 120.386 -3.093 2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 80 121.668 -1.336 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 80 119.970 -1.868 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 80 120.358 -0.136 0.259 1.00 0.00 H new ATOM 1345 N MET A 81 119.669 1.595 4.653 1.00 0.00 N ATOM 1346 CA MET A 81 120.453 2.709 5.260 1.00 0.00 C ATOM 1347 C MET A 81 120.636 2.475 6.763 1.00 0.00 C ATOM 1348 O MET A 81 121.673 2.771 7.324 1.00 0.00 O ATOM 1349 CB MET A 81 119.623 3.967 5.000 1.00 0.00 C ATOM 1350 CG MET A 81 120.175 5.124 5.836 1.00 0.00 C ATOM 1351 SD MET A 81 120.136 6.647 4.858 1.00 0.00 S ATOM 1352 CE MET A 81 118.393 7.050 5.136 1.00 0.00 C ATOM 0 H MET A 81 118.874 1.882 4.082 1.00 0.00 H new ATOM 0 HA MET A 81 121.453 2.790 4.834 1.00 0.00 H new ATOM 0 HB2 MET A 81 119.653 4.223 3.941 1.00 0.00 H new ATOM 0 HB3 MET A 81 118.579 3.786 5.255 1.00 0.00 H new ATOM 0 HG2 MET A 81 119.583 5.246 6.743 1.00 0.00 H new ATOM 0 HG3 MET A 81 121.196 4.906 6.149 1.00 0.00 H new ATOM 0 HE1 MET A 81 118.060 7.765 4.383 1.00 0.00 H new ATOM 0 HE2 MET A 81 117.794 6.142 5.065 1.00 0.00 H new ATOM 0 HE3 MET A 81 118.274 7.486 6.128 1.00 0.00 H new ATOM 1362 N GLU A 82 119.641 1.946 7.421 1.00 0.00 N ATOM 1363 CA GLU A 82 119.764 1.696 8.887 1.00 0.00 C ATOM 1364 C GLU A 82 120.674 0.488 9.154 1.00 0.00 C ATOM 1365 O GLU A 82 121.762 0.622 9.679 1.00 0.00 O ATOM 1366 CB GLU A 82 118.339 1.408 9.361 1.00 0.00 C ATOM 1367 CG GLU A 82 118.218 1.737 10.849 1.00 0.00 C ATOM 1368 CD GLU A 82 116.741 1.863 11.227 1.00 0.00 C ATOM 1369 OE1 GLU A 82 115.912 1.778 10.335 1.00 0.00 O ATOM 1370 OE2 GLU A 82 116.463 2.042 12.401 1.00 0.00 O ATOM 0 H GLU A 82 118.748 1.676 7.008 1.00 0.00 H new ATOM 0 HA GLU A 82 120.207 2.543 9.410 1.00 0.00 H new ATOM 0 HB2 GLU A 82 117.627 2.002 8.788 1.00 0.00 H new ATOM 0 HB3 GLU A 82 118.092 0.360 9.188 1.00 0.00 H new ATOM 0 HG2 GLU A 82 118.691 0.956 11.444 1.00 0.00 H new ATOM 0 HG3 GLU A 82 118.741 2.667 11.070 1.00 0.00 H new ATOM 1377 N TYR A 83 120.227 -0.687 8.801 1.00 0.00 N ATOM 1378 CA TYR A 83 121.043 -1.917 9.031 1.00 0.00 C ATOM 1379 C TYR A 83 122.533 -1.651 8.793 1.00 0.00 C ATOM 1380 O TYR A 83 123.376 -2.055 9.569 1.00 0.00 O ATOM 1381 CB TYR A 83 120.517 -2.922 8.006 1.00 0.00 C ATOM 1382 CG TYR A 83 121.121 -4.276 8.277 1.00 0.00 C ATOM 1383 CD1 TYR A 83 120.503 -5.148 9.179 1.00 0.00 C ATOM 1384 CD2 TYR A 83 122.299 -4.661 7.626 1.00 0.00 C ATOM 1385 CE1 TYR A 83 121.062 -6.407 9.432 1.00 0.00 C ATOM 1386 CE2 TYR A 83 122.859 -5.919 7.878 1.00 0.00 C ATOM 1387 CZ TYR A 83 122.239 -6.792 8.780 1.00 0.00 C ATOM 1388 OH TYR A 83 122.791 -8.034 9.029 1.00 0.00 O ATOM 0 H TYR A 83 119.322 -0.850 8.359 1.00 0.00 H new ATOM 0 HA TYR A 83 120.957 -2.273 10.058 1.00 0.00 H new ATOM 0 HB2 TYR A 83 119.430 -2.979 8.061 1.00 0.00 H new ATOM 0 HB3 TYR A 83 120.768 -2.595 6.997 1.00 0.00 H new ATOM 0 HD1 TYR A 83 119.594 -4.850 9.681 1.00 0.00 H new ATOM 0 HD2 TYR A 83 122.776 -3.987 6.929 1.00 0.00 H new ATOM 0 HE1 TYR A 83 120.585 -7.080 10.129 1.00 0.00 H new ATOM 0 HE2 TYR A 83 123.769 -6.216 7.377 1.00 0.00 H new ATOM 0 HH TYR A 83 122.080 -8.668 9.258 1.00 0.00 H new ATOM 1398 N LEU A 84 122.866 -0.990 7.720 1.00 0.00 N ATOM 1399 CA LEU A 84 124.304 -0.717 7.429 1.00 0.00 C ATOM 1400 C LEU A 84 124.895 0.239 8.470 1.00 0.00 C ATOM 1401 O LEU A 84 126.000 0.053 8.939 1.00 0.00 O ATOM 1402 CB LEU A 84 124.309 -0.080 6.038 1.00 0.00 C ATOM 1403 CG LEU A 84 123.611 -1.015 5.047 1.00 0.00 C ATOM 1404 CD1 LEU A 84 123.584 -0.369 3.660 1.00 0.00 C ATOM 1405 CD2 LEU A 84 124.370 -2.342 4.977 1.00 0.00 C ATOM 0 H LEU A 84 122.207 -0.627 7.032 1.00 0.00 H new ATOM 0 HA LEU A 84 124.910 -1.622 7.466 1.00 0.00 H new ATOM 0 HB2 LEU A 84 123.800 0.884 6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 84 125.333 0.109 5.717 1.00 0.00 H new ATOM 0 HG LEU A 84 122.589 -1.196 5.380 1.00 0.00 H new ATOM 0 HD11 LEU A 84 123.087 -1.037 2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 84 123.042 0.575 3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 84 124.605 -0.184 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 84 123.874 -3.008 4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 84 125.392 -2.159 4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 84 124.386 -2.805 5.964 1.00 0.00 H new ATOM 1417 N ILE A 85 124.172 1.260 8.841 1.00 0.00 N ATOM 1418 CA ILE A 85 124.705 2.218 9.853 1.00 0.00 C ATOM 1419 C ILE A 85 125.169 1.462 11.103 1.00 0.00 C ATOM 1420 O ILE A 85 125.945 1.965 11.890 1.00 0.00 O ATOM 1421 CB ILE A 85 123.529 3.139 10.183 1.00 0.00 C ATOM 1422 CG1 ILE A 85 123.353 4.162 9.059 1.00 0.00 C ATOM 1423 CG2 ILE A 85 123.801 3.874 11.497 1.00 0.00 C ATOM 1424 CD1 ILE A 85 121.962 4.790 9.158 1.00 0.00 C ATOM 0 H ILE A 85 123.239 1.473 8.489 1.00 0.00 H new ATOM 0 HA ILE A 85 125.566 2.776 9.484 1.00 0.00 H new ATOM 0 HB ILE A 85 122.622 2.542 10.283 1.00 0.00 H new ATOM 0 HG12 ILE A 85 124.119 4.934 9.132 1.00 0.00 H new ATOM 0 HG13 ILE A 85 123.478 3.679 8.090 1.00 0.00 H new ATOM 0 HG21 ILE A 85 122.961 4.529 11.728 1.00 0.00 H new ATOM 0 HG22 ILE A 85 123.927 3.148 12.300 1.00 0.00 H new ATOM 0 HG23 ILE A 85 124.709 4.469 11.400 1.00 0.00 H new ATOM 0 HD11 ILE A 85 121.834 5.519 8.358 1.00 0.00 H new ATOM 0 HD12 ILE A 85 121.204 4.012 9.064 1.00 0.00 H new ATOM 0 HD13 ILE A 85 121.855 5.287 10.122 1.00 0.00 H new ATOM 1436 N LYS A 86 124.698 0.259 11.290 1.00 0.00 N ATOM 1437 CA LYS A 86 125.113 -0.524 12.490 1.00 0.00 C ATOM 1438 C LYS A 86 126.116 -1.611 12.094 1.00 0.00 C ATOM 1439 O LYS A 86 127.313 -1.406 12.129 1.00 0.00 O ATOM 1440 CB LYS A 86 123.822 -1.151 13.021 1.00 0.00 C ATOM 1441 CG LYS A 86 123.352 -0.382 14.258 1.00 0.00 C ATOM 1442 CD LYS A 86 122.893 -1.370 15.333 1.00 0.00 C ATOM 1443 CE LYS A 86 121.721 -2.197 14.800 1.00 0.00 C ATOM 1444 NZ LYS A 86 120.642 -2.032 15.813 1.00 0.00 N ATOM 0 H LYS A 86 124.045 -0.215 10.666 1.00 0.00 H new ATOM 0 HA LYS A 86 125.602 0.099 13.240 1.00 0.00 H new ATOM 0 HB2 LYS A 86 123.051 -1.129 12.251 1.00 0.00 H new ATOM 0 HB3 LYS A 86 123.991 -2.198 13.273 1.00 0.00 H new ATOM 0 HG2 LYS A 86 124.162 0.239 14.642 1.00 0.00 H new ATOM 0 HG3 LYS A 86 122.534 0.288 13.993 1.00 0.00 H new ATOM 0 HD2 LYS A 86 123.717 -2.026 15.614 1.00 0.00 H new ATOM 0 HD3 LYS A 86 122.593 -0.832 16.232 1.00 0.00 H new ATOM 0 HE2 LYS A 86 121.401 -1.842 13.820 1.00 0.00 H new ATOM 0 HE3 LYS A 86 121.997 -3.245 14.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 119.803 -2.571 15.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 120.973 -2.384 16.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 120.395 -1.025 15.896 1.00 0.00 H new ATOM 1458 N THR A 87 125.638 -2.766 11.718 1.00 0.00 N ATOM 1459 CA THR A 87 126.567 -3.863 11.322 1.00 0.00 C ATOM 1460 C THR A 87 127.256 -3.521 9.998 1.00 0.00 C ATOM 1461 O THR A 87 128.138 -4.224 9.547 1.00 0.00 O ATOM 1462 CB THR A 87 125.680 -5.098 11.164 1.00 0.00 C ATOM 1463 OG1 THR A 87 126.498 -6.244 10.979 1.00 0.00 O ATOM 1464 CG2 THR A 87 124.766 -4.920 9.950 1.00 0.00 C ATOM 0 H THR A 87 124.646 -2.997 11.668 1.00 0.00 H new ATOM 0 HA THR A 87 127.356 -4.021 12.057 1.00 0.00 H new ATOM 0 HB THR A 87 125.071 -5.226 12.059 1.00 0.00 H new ATOM 0 HG1 THR A 87 127.337 -5.981 10.547 1.00 0.00 H new ATOM 0 HG21 THR A 87 124.134 -5.801 9.838 1.00 0.00 H new ATOM 0 HG22 THR A 87 124.139 -4.040 10.092 1.00 0.00 H new ATOM 0 HG23 THR A 87 125.373 -4.792 9.053 1.00 0.00 H new ATOM 1472 N GLY A 88 126.861 -2.445 9.373 1.00 0.00 N ATOM 1473 CA GLY A 88 127.496 -2.061 8.080 1.00 0.00 C ATOM 1474 C GLY A 88 128.912 -1.545 8.340 1.00 0.00 C ATOM 1475 O GLY A 88 129.884 -2.246 8.146 1.00 0.00 O ATOM 0 H GLY A 88 126.128 -1.817 9.701 1.00 0.00 H new ATOM 0 HA2 GLY A 88 127.528 -2.920 7.409 1.00 0.00 H new ATOM 0 HA3 GLY A 88 126.902 -1.292 7.585 1.00 0.00 H new ATOM 1479 N SER A 89 129.039 -0.323 8.778 1.00 0.00 N ATOM 1480 CA SER A 89 130.395 0.233 9.049 1.00 0.00 C ATOM 1481 C SER A 89 130.281 1.626 9.672 1.00 0.00 C ATOM 1482 O SER A 89 129.286 2.305 9.518 1.00 0.00 O ATOM 1483 CB SER A 89 131.071 0.311 7.681 1.00 0.00 C ATOM 1484 OG SER A 89 132.150 1.235 7.742 1.00 0.00 O ATOM 0 H SER A 89 128.264 0.314 8.960 1.00 0.00 H new ATOM 0 HA SER A 89 130.961 -0.382 9.749 1.00 0.00 H new ATOM 0 HB2 SER A 89 131.436 -0.673 7.386 1.00 0.00 H new ATOM 0 HB3 SER A 89 130.352 0.624 6.924 1.00 0.00 H new ATOM 0 HG SER A 89 132.587 1.286 6.866 1.00 0.00 H new ATOM 1490 N GLU A 90 131.292 2.055 10.376 1.00 0.00 N ATOM 1491 CA GLU A 90 131.240 3.405 11.008 1.00 0.00 C ATOM 1492 C GLU A 90 131.114 4.486 9.934 1.00 0.00 C ATOM 1493 O GLU A 90 130.670 5.586 10.195 1.00 0.00 O ATOM 1494 CB GLU A 90 132.564 3.544 11.757 1.00 0.00 C ATOM 1495 CG GLU A 90 132.488 2.776 13.077 1.00 0.00 C ATOM 1496 CD GLU A 90 133.458 1.594 13.036 1.00 0.00 C ATOM 1497 OE1 GLU A 90 134.650 1.835 12.940 1.00 0.00 O ATOM 1498 OE2 GLU A 90 132.994 0.468 13.101 1.00 0.00 O ATOM 0 H GLU A 90 132.151 1.531 10.541 1.00 0.00 H new ATOM 0 HA GLU A 90 130.383 3.517 11.673 1.00 0.00 H new ATOM 0 HB2 GLU A 90 133.381 3.159 11.147 1.00 0.00 H new ATOM 0 HB3 GLU A 90 132.777 4.596 11.948 1.00 0.00 H new ATOM 0 HG2 GLU A 90 132.737 3.435 13.909 1.00 0.00 H new ATOM 0 HG3 GLU A 90 131.471 2.420 13.245 1.00 0.00 H new ATOM 1505 N ARG A 91 131.501 4.182 8.725 1.00 0.00 N ATOM 1506 CA ARG A 91 131.401 5.193 7.636 1.00 0.00 C ATOM 1507 C ARG A 91 129.946 5.343 7.191 1.00 0.00 C ATOM 1508 O ARG A 91 129.479 6.431 6.920 1.00 0.00 O ATOM 1509 CB ARG A 91 132.256 4.638 6.496 1.00 0.00 C ATOM 1510 CG ARG A 91 133.708 4.511 6.961 1.00 0.00 C ATOM 1511 CD ARG A 91 134.579 5.513 6.199 1.00 0.00 C ATOM 1512 NE ARG A 91 135.358 6.221 7.252 1.00 0.00 N ATOM 1513 CZ ARG A 91 136.659 6.124 7.277 1.00 0.00 C ATOM 1514 NH1 ARG A 91 137.333 6.075 6.161 1.00 0.00 N ATOM 1515 NH2 ARG A 91 137.287 6.077 8.420 1.00 0.00 N ATOM 0 H ARG A 91 131.882 3.278 8.445 1.00 0.00 H new ATOM 0 HA ARG A 91 131.741 6.178 7.955 1.00 0.00 H new ATOM 0 HB2 ARG A 91 131.877 3.665 6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 91 132.197 5.296 5.629 1.00 0.00 H new ATOM 0 HG2 ARG A 91 133.775 4.697 8.033 1.00 0.00 H new ATOM 0 HG3 ARG A 91 134.068 3.497 6.790 1.00 0.00 H new ATOM 0 HD2 ARG A 91 135.238 5.007 5.493 1.00 0.00 H new ATOM 0 HD3 ARG A 91 133.969 6.209 5.623 1.00 0.00 H new ATOM 0 HE ARG A 91 134.875 6.782 7.954 1.00 0.00 H new ATOM 0 HH11 ARG A 91 136.843 6.113 5.267 1.00 0.00 H new ATOM 0 HH12 ARG A 91 138.350 5.999 6.182 1.00 0.00 H new ATOM 0 HH21 ARG A 91 136.761 6.116 9.293 1.00 0.00 H new ATOM 0 HH22 ARG A 91 138.304 6.001 8.440 1.00 0.00 H new ATOM 1529 N VAL A 92 129.225 4.258 7.115 1.00 0.00 N ATOM 1530 CA VAL A 92 127.800 4.345 6.690 1.00 0.00 C ATOM 1531 C VAL A 92 127.024 5.260 7.639 1.00 0.00 C ATOM 1532 O VAL A 92 126.091 5.929 7.246 1.00 0.00 O ATOM 1533 CB VAL A 92 127.271 2.911 6.766 1.00 0.00 C ATOM 1534 CG1 VAL A 92 125.760 2.910 6.531 1.00 0.00 C ATOM 1535 CG2 VAL A 92 127.951 2.061 5.690 1.00 0.00 C ATOM 0 H VAL A 92 129.560 3.318 7.328 1.00 0.00 H new ATOM 0 HA VAL A 92 127.691 4.761 5.689 1.00 0.00 H new ATOM 0 HB VAL A 92 127.486 2.497 7.751 1.00 0.00 H new ATOM 0 HG11 VAL A 92 125.384 1.888 6.585 1.00 0.00 H new ATOM 0 HG12 VAL A 92 125.273 3.517 7.294 1.00 0.00 H new ATOM 0 HG13 VAL A 92 125.545 3.324 5.546 1.00 0.00 H new ATOM 0 HG21 VAL A 92 127.576 1.039 5.742 1.00 0.00 H new ATOM 0 HG22 VAL A 92 127.734 2.477 4.706 1.00 0.00 H new ATOM 0 HG23 VAL A 92 129.029 2.060 5.854 1.00 0.00 H new ATOM 1545 N SER A 93 127.406 5.301 8.885 1.00 0.00 N ATOM 1546 CA SER A 93 126.690 6.180 9.852 1.00 0.00 C ATOM 1547 C SER A 93 127.155 7.628 9.687 1.00 0.00 C ATOM 1548 O SER A 93 126.373 8.554 9.768 1.00 0.00 O ATOM 1549 CB SER A 93 127.073 5.647 11.232 1.00 0.00 C ATOM 1550 OG SER A 93 128.385 6.087 11.557 1.00 0.00 O ATOM 0 H SER A 93 128.181 4.765 9.275 1.00 0.00 H new ATOM 0 HA SER A 93 125.611 6.172 9.700 1.00 0.00 H new ATOM 0 HB2 SER A 93 126.363 5.999 11.980 1.00 0.00 H new ATOM 0 HB3 SER A 93 127.030 4.558 11.239 1.00 0.00 H new ATOM 0 HG SER A 93 129.020 5.740 10.895 1.00 0.00 H new ATOM 1556 N GLN A 94 128.422 7.830 9.451 1.00 0.00 N ATOM 1557 CA GLN A 94 128.932 9.218 9.275 1.00 0.00 C ATOM 1558 C GLN A 94 128.224 9.885 8.096 1.00 0.00 C ATOM 1559 O GLN A 94 127.571 10.900 8.241 1.00 0.00 O ATOM 1560 CB GLN A 94 130.425 9.060 8.986 1.00 0.00 C ATOM 1561 CG GLN A 94 131.176 8.810 10.295 1.00 0.00 C ATOM 1562 CD GLN A 94 132.555 8.224 9.987 1.00 0.00 C ATOM 1563 OE1 GLN A 94 132.774 7.040 10.150 1.00 0.00 O ATOM 1564 NE2 GLN A 94 133.499 9.007 9.544 1.00 0.00 N ATOM 0 H GLN A 94 129.125 7.095 9.373 1.00 0.00 H new ATOM 0 HA GLN A 94 128.754 9.841 10.151 1.00 0.00 H new ATOM 0 HB2 GLN A 94 130.587 8.230 8.298 1.00 0.00 H new ATOM 0 HB3 GLN A 94 130.809 9.957 8.500 1.00 0.00 H new ATOM 0 HG2 GLN A 94 131.281 9.742 10.850 1.00 0.00 H new ATOM 0 HG3 GLN A 94 130.610 8.125 10.926 1.00 0.00 H new ATOM 0 HE21 GLN A 94 133.315 10.001 9.407 1.00 0.00 H new ATOM 0 HE22 GLN A 94 134.421 8.626 9.334 1.00 0.00 H new ATOM 1573 N GLN A 95 128.343 9.314 6.933 1.00 0.00 N ATOM 1574 CA GLN A 95 127.672 9.904 5.741 1.00 0.00 C ATOM 1575 C GLN A 95 126.179 10.082 6.022 1.00 0.00 C ATOM 1576 O GLN A 95 125.565 11.035 5.587 1.00 0.00 O ATOM 1577 CB GLN A 95 127.890 8.889 4.618 1.00 0.00 C ATOM 1578 CG GLN A 95 127.218 9.391 3.339 1.00 0.00 C ATOM 1579 CD GLN A 95 128.239 9.424 2.201 1.00 0.00 C ATOM 1580 OE1 GLN A 95 129.047 10.329 2.121 1.00 0.00 O ATOM 1581 NE2 GLN A 95 128.238 8.469 1.311 1.00 0.00 N ATOM 0 H GLN A 95 128.876 8.463 6.754 1.00 0.00 H new ATOM 0 HA GLN A 95 128.070 10.885 5.482 1.00 0.00 H new ATOM 0 HB2 GLN A 95 128.957 8.743 4.448 1.00 0.00 H new ATOM 0 HB3 GLN A 95 127.477 7.921 4.903 1.00 0.00 H new ATOM 0 HG2 GLN A 95 126.385 8.740 3.075 1.00 0.00 H new ATOM 0 HG3 GLN A 95 126.806 10.387 3.500 1.00 0.00 H new ATOM 0 HE21 GLN A 95 127.560 7.710 1.378 1.00 0.00 H new ATOM 0 HE22 GLN A 95 128.915 8.482 0.548 1.00 0.00 H new ATOM 1590 N CYS A 96 125.589 9.173 6.753 1.00 0.00 N ATOM 1591 CA CYS A 96 124.138 9.301 7.065 1.00 0.00 C ATOM 1592 C CYS A 96 123.890 10.593 7.844 1.00 0.00 C ATOM 1593 O CYS A 96 122.889 11.259 7.664 1.00 0.00 O ATOM 1594 CB CYS A 96 123.801 8.082 7.924 1.00 0.00 C ATOM 1595 SG CYS A 96 123.485 6.659 6.851 1.00 0.00 S ATOM 0 H CYS A 96 126.048 8.351 7.145 1.00 0.00 H new ATOM 0 HA CYS A 96 123.522 9.341 6.167 1.00 0.00 H new ATOM 0 HB2 CYS A 96 124.625 7.863 8.603 1.00 0.00 H new ATOM 0 HB3 CYS A 96 122.926 8.288 8.540 1.00 0.00 H new ATOM 0 HG CYS A 96 124.580 5.974 6.704 1.00 0.00 H new ATOM 1601 N LYS A 97 124.802 10.956 8.701 1.00 0.00 N ATOM 1602 CA LYS A 97 124.631 12.209 9.487 1.00 0.00 C ATOM 1603 C LYS A 97 124.871 13.419 8.582 1.00 0.00 C ATOM 1604 O LYS A 97 124.353 14.494 8.811 1.00 0.00 O ATOM 1605 CB LYS A 97 125.693 12.137 10.584 1.00 0.00 C ATOM 1606 CG LYS A 97 125.545 13.338 11.520 1.00 0.00 C ATOM 1607 CD LYS A 97 126.780 13.442 12.417 1.00 0.00 C ATOM 1608 CE LYS A 97 127.888 14.197 11.679 1.00 0.00 C ATOM 1609 NZ LYS A 97 128.897 14.518 12.726 1.00 0.00 N ATOM 0 H LYS A 97 125.660 10.438 8.891 1.00 0.00 H new ATOM 0 HA LYS A 97 123.629 12.310 9.904 1.00 0.00 H new ATOM 0 HB2 LYS A 97 125.587 11.209 11.146 1.00 0.00 H new ATOM 0 HB3 LYS A 97 126.689 12.129 10.141 1.00 0.00 H new ATOM 0 HG2 LYS A 97 125.426 14.253 10.939 1.00 0.00 H new ATOM 0 HG3 LYS A 97 124.648 13.229 12.130 1.00 0.00 H new ATOM 0 HD2 LYS A 97 126.527 13.960 13.342 1.00 0.00 H new ATOM 0 HD3 LYS A 97 127.126 12.446 12.693 1.00 0.00 H new ATOM 0 HE2 LYS A 97 128.322 13.587 10.887 1.00 0.00 H new ATOM 0 HE3 LYS A 97 127.504 15.103 11.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 129.690 15.037 12.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 128.457 15.105 13.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 129.250 13.636 13.150 1.00 0.00 H new ATOM 1623 N GLU A 98 125.654 13.248 7.553 1.00 0.00 N ATOM 1624 CA GLU A 98 125.933 14.378 6.624 1.00 0.00 C ATOM 1625 C GLU A 98 124.790 14.524 5.617 1.00 0.00 C ATOM 1626 O GLU A 98 124.581 15.576 5.046 1.00 0.00 O ATOM 1627 CB GLU A 98 127.229 13.992 5.914 1.00 0.00 C ATOM 1628 CG GLU A 98 128.344 13.826 6.947 1.00 0.00 C ATOM 1629 CD GLU A 98 128.961 15.192 7.256 1.00 0.00 C ATOM 1630 OE1 GLU A 98 128.223 16.074 7.664 1.00 0.00 O ATOM 1631 OE2 GLU A 98 130.159 15.333 7.078 1.00 0.00 O ATOM 0 H GLU A 98 126.115 12.370 7.315 1.00 0.00 H new ATOM 0 HA GLU A 98 126.022 15.332 7.144 1.00 0.00 H new ATOM 0 HB2 GLU A 98 127.090 13.064 5.360 1.00 0.00 H new ATOM 0 HB3 GLU A 98 127.501 14.759 5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 98 127.946 13.380 7.859 1.00 0.00 H new ATOM 0 HG3 GLU A 98 129.108 13.147 6.567 1.00 0.00 H new ATOM 1638 N ASN A 99 124.048 13.473 5.395 1.00 0.00 N ATOM 1639 CA ASN A 99 122.921 13.546 4.427 1.00 0.00 C ATOM 1640 C ASN A 99 121.581 13.439 5.161 1.00 0.00 C ATOM 1641 O ASN A 99 120.631 12.873 4.658 1.00 0.00 O ATOM 1642 CB ASN A 99 123.119 12.350 3.496 1.00 0.00 C ATOM 1643 CG ASN A 99 124.335 12.594 2.600 1.00 0.00 C ATOM 1644 OD1 ASN A 99 125.382 12.990 3.072 1.00 0.00 O ATOM 1645 ND2 ASN A 99 124.240 12.374 1.317 1.00 0.00 N ATOM 0 H ASN A 99 124.175 12.566 5.844 1.00 0.00 H new ATOM 0 HA ASN A 99 122.908 14.490 3.882 1.00 0.00 H new ATOM 0 HB2 ASN A 99 123.262 11.441 4.080 1.00 0.00 H new ATOM 0 HB3 ASN A 99 122.229 12.200 2.885 1.00 0.00 H new ATOM 0 HD21 ASN A 99 125.045 12.535 0.711 1.00 0.00 H new ATOM 0 HD22 ASN A 99 123.361 12.041 0.920 1.00 0.00 H new ATOM 1652 N MET A 100 121.497 13.978 6.346 1.00 0.00 N ATOM 1653 CA MET A 100 120.217 13.906 7.109 1.00 0.00 C ATOM 1654 C MET A 100 119.101 14.611 6.335 1.00 0.00 C ATOM 1655 O MET A 100 117.946 14.247 6.419 1.00 0.00 O ATOM 1656 CB MET A 100 120.497 14.631 8.426 1.00 0.00 C ATOM 1657 CG MET A 100 120.590 16.137 8.170 1.00 0.00 C ATOM 1658 SD MET A 100 121.189 16.968 9.662 1.00 0.00 S ATOM 1659 CE MET A 100 122.848 17.361 9.052 1.00 0.00 C ATOM 0 H MET A 100 122.258 14.465 6.819 1.00 0.00 H new ATOM 0 HA MET A 100 119.891 12.879 7.272 1.00 0.00 H new ATOM 0 HB2 MET A 100 119.704 14.422 9.144 1.00 0.00 H new ATOM 0 HB3 MET A 100 121.427 14.268 8.863 1.00 0.00 H new ATOM 0 HG2 MET A 100 121.264 16.334 7.336 1.00 0.00 H new ATOM 0 HG3 MET A 100 119.613 16.530 7.890 1.00 0.00 H new ATOM 0 HE1 MET A 100 123.577 16.712 9.537 1.00 0.00 H new ATOM 0 HE2 MET A 100 122.885 17.206 7.974 1.00 0.00 H new ATOM 0 HE3 MET A 100 123.081 18.402 9.277 1.00 0.00 H new ATOM 1669 N TYR A 101 119.440 15.620 5.581 1.00 0.00 N ATOM 1670 CA TYR A 101 118.403 16.351 4.799 1.00 0.00 C ATOM 1671 C TYR A 101 117.730 15.406 3.801 1.00 0.00 C ATOM 1672 O TYR A 101 116.597 15.604 3.409 1.00 0.00 O ATOM 1673 CB TYR A 101 119.167 17.454 4.066 1.00 0.00 C ATOM 1674 CG TYR A 101 120.029 18.208 5.050 1.00 0.00 C ATOM 1675 CD1 TYR A 101 119.438 18.876 6.129 1.00 0.00 C ATOM 1676 CD2 TYR A 101 121.419 18.240 4.883 1.00 0.00 C ATOM 1677 CE1 TYR A 101 120.238 19.575 7.042 1.00 0.00 C ATOM 1678 CE2 TYR A 101 122.217 18.939 5.795 1.00 0.00 C ATOM 1679 CZ TYR A 101 121.627 19.606 6.875 1.00 0.00 C ATOM 1680 OH TYR A 101 122.415 20.295 7.775 1.00 0.00 O ATOM 0 H TYR A 101 120.392 15.970 5.472 1.00 0.00 H new ATOM 0 HA TYR A 101 117.614 16.755 5.433 1.00 0.00 H new ATOM 0 HB2 TYR A 101 119.786 17.022 3.280 1.00 0.00 H new ATOM 0 HB3 TYR A 101 118.468 18.136 3.582 1.00 0.00 H new ATOM 0 HD1 TYR A 101 118.366 18.852 6.257 1.00 0.00 H new ATOM 0 HD2 TYR A 101 121.875 17.725 4.050 1.00 0.00 H new ATOM 0 HE1 TYR A 101 119.783 20.090 7.875 1.00 0.00 H new ATOM 0 HE2 TYR A 101 123.289 18.964 5.666 1.00 0.00 H new ATOM 0 HH TYR A 101 123.356 20.215 7.514 1.00 0.00 H new ATOM 1690 N ALA A 102 118.419 14.378 3.388 1.00 0.00 N ATOM 1691 CA ALA A 102 117.819 13.420 2.416 1.00 0.00 C ATOM 1692 C ALA A 102 116.827 12.499 3.128 1.00 0.00 C ATOM 1693 O ALA A 102 115.767 12.197 2.617 1.00 0.00 O ATOM 1694 CB ALA A 102 119.001 12.618 1.872 1.00 0.00 C ATOM 0 H ALA A 102 119.371 14.160 3.681 1.00 0.00 H new ATOM 0 HA ALA A 102 117.269 13.925 1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 102 118.642 11.888 1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 102 119.707 13.293 1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 102 119.498 12.101 2.693 1.00 0.00 H new ATOM 1700 N VAL A 103 117.163 12.055 4.304 1.00 0.00 N ATOM 1701 CA VAL A 103 116.241 11.155 5.055 1.00 0.00 C ATOM 1702 C VAL A 103 115.035 11.945 5.568 1.00 0.00 C ATOM 1703 O VAL A 103 113.962 11.406 5.757 1.00 0.00 O ATOM 1704 CB VAL A 103 117.069 10.622 6.223 1.00 0.00 C ATOM 1705 CG1 VAL A 103 116.350 9.425 6.847 1.00 0.00 C ATOM 1706 CG2 VAL A 103 118.442 10.181 5.712 1.00 0.00 C ATOM 0 H VAL A 103 118.037 12.275 4.781 1.00 0.00 H new ATOM 0 HA VAL A 103 115.852 10.350 4.432 1.00 0.00 H new ATOM 0 HB VAL A 103 117.193 11.405 6.971 1.00 0.00 H new ATOM 0 HG11 VAL A 103 116.938 9.042 7.681 1.00 0.00 H new ATOM 0 HG12 VAL A 103 115.370 9.737 7.207 1.00 0.00 H new ATOM 0 HG13 VAL A 103 116.229 8.642 6.098 1.00 0.00 H new ATOM 0 HG21 VAL A 103 119.035 9.800 6.544 1.00 0.00 H new ATOM 0 HG22 VAL A 103 118.318 9.396 4.966 1.00 0.00 H new ATOM 0 HG23 VAL A 103 118.953 11.032 5.262 1.00 0.00 H new ATOM 1716 N GLN A 104 115.201 13.220 5.798 1.00 0.00 N ATOM 1717 CA GLN A 104 114.065 14.043 6.301 1.00 0.00 C ATOM 1718 C GLN A 104 113.163 14.470 5.140 1.00 0.00 C ATOM 1719 O GLN A 104 111.984 14.708 5.312 1.00 0.00 O ATOM 1720 CB GLN A 104 114.714 15.263 6.953 1.00 0.00 C ATOM 1721 CG GLN A 104 115.609 14.811 8.107 1.00 0.00 C ATOM 1722 CD GLN A 104 114.741 14.441 9.312 1.00 0.00 C ATOM 1723 OE1 GLN A 104 113.788 13.698 9.182 1.00 0.00 O ATOM 1724 NE2 GLN A 104 115.034 14.929 10.485 1.00 0.00 N ATOM 0 H GLN A 104 116.075 13.727 5.659 1.00 0.00 H new ATOM 0 HA GLN A 104 113.438 13.492 7.003 1.00 0.00 H new ATOM 0 HB2 GLN A 104 115.301 15.812 6.217 1.00 0.00 H new ATOM 0 HB3 GLN A 104 113.946 15.944 7.320 1.00 0.00 H new ATOM 0 HG2 GLN A 104 116.210 13.954 7.801 1.00 0.00 H new ATOM 0 HG3 GLN A 104 116.303 15.607 8.376 1.00 0.00 H new ATOM 0 HE21 GLN A 104 115.834 15.552 10.593 1.00 0.00 H new ATOM 0 HE22 GLN A 104 114.463 14.687 11.295 1.00 0.00 H new ATOM 1733 N THR A 105 113.706 14.571 3.958 1.00 0.00 N ATOM 1734 CA THR A 105 112.875 14.984 2.790 1.00 0.00 C ATOM 1735 C THR A 105 111.808 13.925 2.505 1.00 0.00 C ATOM 1736 O THR A 105 110.881 14.149 1.752 1.00 0.00 O ATOM 1737 CB THR A 105 113.856 15.091 1.620 1.00 0.00 C ATOM 1738 OG1 THR A 105 113.236 15.786 0.549 1.00 0.00 O ATOM 1739 CG2 THR A 105 114.259 13.691 1.157 1.00 0.00 C ATOM 0 H THR A 105 114.687 14.386 3.750 1.00 0.00 H new ATOM 0 HA THR A 105 112.352 15.924 2.965 1.00 0.00 H new ATOM 0 HB THR A 105 114.746 15.633 1.940 1.00 0.00 H new ATOM 0 HG1 THR A 105 113.863 15.857 -0.201 1.00 0.00 H new ATOM 0 HG21 THR A 105 114.957 13.770 0.324 1.00 0.00 H new ATOM 0 HG22 THR A 105 114.735 13.159 1.980 1.00 0.00 H new ATOM 0 HG23 THR A 105 113.372 13.145 0.836 1.00 0.00 H new ATOM 1747 N LEU A 106 111.932 12.772 3.102 1.00 0.00 N ATOM 1748 CA LEU A 106 110.928 11.695 2.871 1.00 0.00 C ATOM 1749 C LEU A 106 109.653 11.981 3.670 1.00 0.00 C ATOM 1750 O LEU A 106 108.559 11.657 3.254 1.00 0.00 O ATOM 1751 CB LEU A 106 111.598 10.420 3.377 1.00 0.00 C ATOM 1752 CG LEU A 106 112.873 10.157 2.573 1.00 0.00 C ATOM 1753 CD1 LEU A 106 113.479 8.818 3.001 1.00 0.00 C ATOM 1754 CD2 LEU A 106 112.534 10.108 1.082 1.00 0.00 C ATOM 0 H LEU A 106 112.688 12.528 3.742 1.00 0.00 H new ATOM 0 HA LEU A 106 110.637 11.618 1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 106 111.837 10.518 4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 106 110.915 9.576 3.282 1.00 0.00 H new ATOM 0 HG LEU A 106 113.590 10.957 2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 106 114.387 8.630 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 106 113.720 8.851 4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 106 112.762 8.018 2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 106 113.442 9.921 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 106 111.817 9.308 0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 106 112.101 11.060 0.776 1.00 0.00 H new ATOM 1766 N LYS A 107 109.792 12.582 4.820 1.00 0.00 N ATOM 1767 CA LYS A 107 108.595 12.892 5.655 1.00 0.00 C ATOM 1768 C LYS A 107 107.448 13.402 4.778 1.00 0.00 C ATOM 1769 O LYS A 107 106.289 13.254 5.107 1.00 0.00 O ATOM 1770 CB LYS A 107 109.061 13.982 6.622 1.00 0.00 C ATOM 1771 CG LYS A 107 107.852 14.593 7.335 1.00 0.00 C ATOM 1772 CD LYS A 107 107.862 16.111 7.148 1.00 0.00 C ATOM 1773 CE LYS A 107 108.799 16.748 8.178 1.00 0.00 C ATOM 1774 NZ LYS A 107 108.032 17.897 8.736 1.00 0.00 N ATOM 0 H LYS A 107 110.685 12.873 5.219 1.00 0.00 H new ATOM 0 HA LYS A 107 108.220 12.013 6.180 1.00 0.00 H new ATOM 0 HB2 LYS A 107 109.752 13.562 7.353 1.00 0.00 H new ATOM 0 HB3 LYS A 107 109.604 14.756 6.079 1.00 0.00 H new ATOM 0 HG2 LYS A 107 106.930 14.173 6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 107 107.880 14.347 8.396 1.00 0.00 H new ATOM 0 HD2 LYS A 107 108.190 16.361 6.139 1.00 0.00 H new ATOM 0 HD3 LYS A 107 106.854 16.509 7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 107 109.069 16.037 8.959 1.00 0.00 H new ATOM 0 HE3 LYS A 107 109.728 17.081 7.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 108.609 18.385 9.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 107.794 18.560 7.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 107.157 17.549 9.177 1.00 0.00 H new ATOM 1987 N VAL A 121 103.038 7.167 5.081 1.00 0.00 N ATOM 1988 CA VAL A 121 103.713 7.592 6.337 1.00 0.00 C ATOM 1989 C VAL A 121 104.863 6.638 6.666 1.00 0.00 C ATOM 1990 O VAL A 121 105.926 7.052 7.085 1.00 0.00 O ATOM 1991 CB VAL A 121 102.623 7.522 7.409 1.00 0.00 C ATOM 1992 CG1 VAL A 121 102.449 6.078 7.893 1.00 0.00 C ATOM 1993 CG2 VAL A 121 103.016 8.412 8.590 1.00 0.00 C ATOM 0 HA VAL A 121 104.146 8.590 6.262 1.00 0.00 H new ATOM 0 HB VAL A 121 101.681 7.868 6.983 1.00 0.00 H new ATOM 0 HG11 VAL A 121 101.671 6.041 8.655 1.00 0.00 H new ATOM 0 HG12 VAL A 121 102.164 5.445 7.053 1.00 0.00 H new ATOM 0 HG13 VAL A 121 103.388 5.720 8.315 1.00 0.00 H new ATOM 0 HG21 VAL A 121 102.241 8.364 9.355 1.00 0.00 H new ATOM 0 HG22 VAL A 121 103.961 8.065 9.008 1.00 0.00 H new ATOM 0 HG23 VAL A 121 103.126 9.441 8.249 1.00 0.00 H new ATOM 2003 N ASN A 122 104.643 5.364 6.486 1.00 0.00 N ATOM 2004 CA ASN A 122 105.704 4.354 6.787 1.00 0.00 C ATOM 2005 C ASN A 122 107.091 4.899 6.428 1.00 0.00 C ATOM 2006 O ASN A 122 108.079 4.565 7.051 1.00 0.00 O ATOM 2007 CB ASN A 122 105.363 3.150 5.908 1.00 0.00 C ATOM 2008 CG ASN A 122 104.637 2.094 6.745 1.00 0.00 C ATOM 2009 OD1 ASN A 122 103.592 2.441 7.447 1.00 0.00 O flip ATOM 2010 ND2 ASN A 122 105.024 0.943 6.761 1.00 0.00 N flip ATOM 0 H ASN A 122 103.766 4.974 6.140 1.00 0.00 H new ATOM 0 HA ASN A 122 105.733 4.099 7.846 1.00 0.00 H new ATOM 0 HB2 ASN A 122 104.735 3.462 5.073 1.00 0.00 H new ATOM 0 HB3 ASN A 122 106.273 2.728 5.482 1.00 0.00 H new ATOM 0 HD21 ASN A 122 105.840 0.672 6.213 1.00 0.00 H new ATOM 0 HD22 ASN A 122 104.533 0.248 7.323 1.00 0.00 H new ATOM 2017 N VAL A 123 107.170 5.738 5.433 1.00 0.00 N ATOM 2018 CA VAL A 123 108.492 6.306 5.040 1.00 0.00 C ATOM 2019 C VAL A 123 108.842 7.492 5.948 1.00 0.00 C ATOM 2020 O VAL A 123 109.948 7.607 6.435 1.00 0.00 O ATOM 2021 CB VAL A 123 108.306 6.742 3.576 1.00 0.00 C ATOM 2022 CG1 VAL A 123 109.034 8.064 3.304 1.00 0.00 C ATOM 2023 CG2 VAL A 123 108.874 5.662 2.655 1.00 0.00 C ATOM 0 H VAL A 123 106.378 6.055 4.875 1.00 0.00 H new ATOM 0 HA VAL A 123 109.312 5.595 5.141 1.00 0.00 H new ATOM 0 HB VAL A 123 107.242 6.883 3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 123 108.888 8.352 2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 123 108.633 8.841 3.955 1.00 0.00 H new ATOM 0 HG13 VAL A 123 110.099 7.940 3.500 1.00 0.00 H new ATOM 0 HG21 VAL A 123 108.745 5.965 1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 123 109.935 5.526 2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 123 108.347 4.723 2.827 1.00 0.00 H new ATOM 2033 N ARG A 124 107.910 8.376 6.172 1.00 0.00 N ATOM 2034 CA ARG A 124 108.195 9.553 7.043 1.00 0.00 C ATOM 2035 C ARG A 124 108.658 9.098 8.429 1.00 0.00 C ATOM 2036 O ARG A 124 109.428 9.767 9.086 1.00 0.00 O ATOM 2037 CB ARG A 124 106.865 10.302 7.141 1.00 0.00 C ATOM 2038 CG ARG A 124 107.014 11.486 8.099 1.00 0.00 C ATOM 2039 CD ARG A 124 105.884 11.455 9.130 1.00 0.00 C ATOM 2040 NE ARG A 124 105.356 12.846 9.165 1.00 0.00 N ATOM 2041 CZ ARG A 124 105.059 13.403 10.307 1.00 0.00 C ATOM 2042 NH1 ARG A 124 104.311 12.767 11.168 1.00 0.00 N ATOM 2043 NH2 ARG A 124 105.507 14.596 10.589 1.00 0.00 N ATOM 0 H ARG A 124 106.965 8.336 5.791 1.00 0.00 H new ATOM 0 HA ARG A 124 108.990 10.179 6.638 1.00 0.00 H new ATOM 0 HB2 ARG A 124 106.561 10.654 6.155 1.00 0.00 H new ATOM 0 HB3 ARG A 124 106.083 9.631 7.495 1.00 0.00 H new ATOM 0 HG2 ARG A 124 107.980 11.441 8.602 1.00 0.00 H new ATOM 0 HG3 ARG A 124 106.987 12.423 7.543 1.00 0.00 H new ATOM 0 HD2 ARG A 124 105.108 10.745 8.844 1.00 0.00 H new ATOM 0 HD3 ARG A 124 106.251 11.148 10.109 1.00 0.00 H new ATOM 0 HE ARG A 124 105.226 13.364 8.296 1.00 0.00 H new ATOM 0 HH11 ARG A 124 103.959 11.835 10.948 1.00 0.00 H new ATOM 0 HH12 ARG A 124 104.079 13.202 12.061 1.00 0.00 H new ATOM 0 HH21 ARG A 124 106.090 15.094 9.916 1.00 0.00 H new ATOM 0 HH22 ARG A 124 105.274 15.030 11.482 1.00 0.00 H new ATOM 2057 N GLU A 125 108.188 7.969 8.882 1.00 0.00 N ATOM 2058 CA GLU A 125 108.595 7.479 10.231 1.00 0.00 C ATOM 2059 C GLU A 125 109.945 6.756 10.170 1.00 0.00 C ATOM 2060 O GLU A 125 110.867 7.088 10.886 1.00 0.00 O ATOM 2061 CB GLU A 125 107.489 6.509 10.648 1.00 0.00 C ATOM 2062 CG GLU A 125 106.173 7.272 10.810 1.00 0.00 C ATOM 2063 CD GLU A 125 105.035 6.280 11.058 1.00 0.00 C ATOM 2064 OE1 GLU A 125 104.526 5.738 10.091 1.00 0.00 O ATOM 2065 OE2 GLU A 125 104.691 6.080 12.211 1.00 0.00 O ATOM 0 H GLU A 125 107.540 7.364 8.378 1.00 0.00 H new ATOM 0 HA GLU A 125 108.717 8.299 10.939 1.00 0.00 H new ATOM 0 HB2 GLU A 125 107.377 5.725 9.899 1.00 0.00 H new ATOM 0 HB3 GLU A 125 107.755 6.019 11.585 1.00 0.00 H new ATOM 0 HG2 GLU A 125 106.247 7.973 11.642 1.00 0.00 H new ATOM 0 HG3 GLU A 125 105.969 7.860 9.915 1.00 0.00 H new ATOM 2072 N LYS A 126 110.068 5.767 9.328 1.00 0.00 N ATOM 2073 CA LYS A 126 111.360 5.026 9.237 1.00 0.00 C ATOM 2074 C LYS A 126 112.517 6.004 9.021 1.00 0.00 C ATOM 2075 O LYS A 126 113.519 5.956 9.704 1.00 0.00 O ATOM 2076 CB LYS A 126 111.203 4.098 8.031 1.00 0.00 C ATOM 2077 CG LYS A 126 111.243 2.643 8.501 1.00 0.00 C ATOM 2078 CD LYS A 126 112.637 2.320 9.045 1.00 0.00 C ATOM 2079 CE LYS A 126 112.793 0.805 9.186 1.00 0.00 C ATOM 2080 NZ LYS A 126 112.507 0.521 10.619 1.00 0.00 N ATOM 0 H LYS A 126 109.333 5.440 8.701 1.00 0.00 H new ATOM 0 HA LYS A 126 111.583 4.471 10.148 1.00 0.00 H new ATOM 0 HB2 LYS A 126 110.261 4.301 7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 126 112.001 4.281 7.311 1.00 0.00 H new ATOM 0 HG2 LYS A 126 110.492 2.479 9.274 1.00 0.00 H new ATOM 0 HG3 LYS A 126 111.000 1.976 7.674 1.00 0.00 H new ATOM 0 HD2 LYS A 126 113.401 2.714 8.374 1.00 0.00 H new ATOM 0 HD3 LYS A 126 112.782 2.802 10.012 1.00 0.00 H new ATOM 0 HE2 LYS A 126 112.101 0.274 8.532 1.00 0.00 H new ATOM 0 HE3 LYS A 126 113.798 0.484 8.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 112.594 -0.500 10.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 113.186 1.034 11.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 111.541 0.830 10.848 1.00 0.00 H new ATOM 2094 N ALA A 127 112.385 6.889 8.073 1.00 0.00 N ATOM 2095 CA ALA A 127 113.477 7.869 7.810 1.00 0.00 C ATOM 2096 C ALA A 127 113.723 8.741 9.047 1.00 0.00 C ATOM 2097 O ALA A 127 114.851 9.025 9.400 1.00 0.00 O ATOM 2098 CB ALA A 127 112.971 8.724 6.648 1.00 0.00 C ATOM 0 H ALA A 127 111.568 6.977 7.468 1.00 0.00 H new ATOM 0 HA ALA A 127 114.421 7.377 7.577 1.00 0.00 H new ATOM 0 HB1 ALA A 127 113.721 9.473 6.393 1.00 0.00 H new ATOM 0 HB2 ALA A 127 112.785 8.088 5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 127 112.046 9.222 6.938 1.00 0.00 H new ATOM 2104 N LYS A 128 112.681 9.171 9.705 1.00 0.00 N ATOM 2105 CA LYS A 128 112.869 10.028 10.913 1.00 0.00 C ATOM 2106 C LYS A 128 113.745 9.311 11.944 1.00 0.00 C ATOM 2107 O LYS A 128 114.697 9.867 12.456 1.00 0.00 O ATOM 2108 CB LYS A 128 111.462 10.247 11.469 1.00 0.00 C ATOM 2109 CG LYS A 128 111.335 11.680 11.986 1.00 0.00 C ATOM 2110 CD LYS A 128 110.468 11.692 13.246 1.00 0.00 C ATOM 2111 CE LYS A 128 108.993 11.598 12.852 1.00 0.00 C ATOM 2112 NZ LYS A 128 108.274 12.440 13.847 1.00 0.00 N ATOM 0 H LYS A 128 111.712 8.968 9.461 1.00 0.00 H new ATOM 0 HA LYS A 128 113.365 10.969 10.674 1.00 0.00 H new ATOM 0 HB2 LYS A 128 110.720 10.062 10.692 1.00 0.00 H new ATOM 0 HB3 LYS A 128 111.264 9.540 12.274 1.00 0.00 H new ATOM 0 HG2 LYS A 128 112.322 12.087 12.207 1.00 0.00 H new ATOM 0 HG3 LYS A 128 110.891 12.316 11.220 1.00 0.00 H new ATOM 0 HD2 LYS A 128 110.736 10.857 13.893 1.00 0.00 H new ATOM 0 HD3 LYS A 128 110.646 12.605 13.814 1.00 0.00 H new ATOM 0 HE2 LYS A 128 108.832 11.962 11.837 1.00 0.00 H new ATOM 0 HE3 LYS A 128 108.642 10.567 12.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 107.255 12.425 13.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 108.440 12.066 14.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 108.624 13.418 13.792 1.00 0.00 H new ATOM 2126 N GLN A 129 113.430 8.085 12.256 1.00 0.00 N ATOM 2127 CA GLN A 129 114.245 7.338 13.257 1.00 0.00 C ATOM 2128 C GLN A 129 115.718 7.325 12.842 1.00 0.00 C ATOM 2129 O GLN A 129 116.596 7.629 13.625 1.00 0.00 O ATOM 2130 CB GLN A 129 113.673 5.920 13.253 1.00 0.00 C ATOM 2131 CG GLN A 129 112.795 5.720 14.490 1.00 0.00 C ATOM 2132 CD GLN A 129 113.683 5.553 15.725 1.00 0.00 C ATOM 2133 OE1 GLN A 129 114.810 6.006 15.741 1.00 0.00 O ATOM 2134 NE2 GLN A 129 113.219 4.919 16.765 1.00 0.00 N ATOM 0 H GLN A 129 112.644 7.567 11.862 1.00 0.00 H new ATOM 0 HA GLN A 129 114.201 7.793 14.246 1.00 0.00 H new ATOM 0 HB2 GLN A 129 113.088 5.755 12.348 1.00 0.00 H new ATOM 0 HB3 GLN A 129 114.482 5.190 13.247 1.00 0.00 H new ATOM 0 HG2 GLN A 129 112.131 6.574 14.620 1.00 0.00 H new ATOM 0 HG3 GLN A 129 112.163 4.841 14.362 1.00 0.00 H new ATOM 0 HE21 GLN A 129 112.272 4.539 16.750 1.00 0.00 H new ATOM 0 HE22 GLN A 129 113.802 4.803 17.594 1.00 0.00 H new ATOM 2143 N LEU A 130 115.998 6.972 11.617 1.00 0.00 N ATOM 2144 CA LEU A 130 117.416 6.939 11.157 1.00 0.00 C ATOM 2145 C LEU A 130 118.092 8.282 11.436 1.00 0.00 C ATOM 2146 O LEU A 130 119.230 8.340 11.855 1.00 0.00 O ATOM 2147 CB LEU A 130 117.341 6.674 9.654 1.00 0.00 C ATOM 2148 CG LEU A 130 117.625 5.196 9.382 1.00 0.00 C ATOM 2149 CD1 LEU A 130 116.746 4.708 8.230 1.00 0.00 C ATOM 2150 CD2 LEU A 130 119.096 5.021 9.005 1.00 0.00 C ATOM 0 H LEU A 130 115.307 6.705 10.915 1.00 0.00 H new ATOM 0 HA LEU A 130 118.001 6.177 11.673 1.00 0.00 H new ATOM 0 HB2 LEU A 130 116.354 6.941 9.276 1.00 0.00 H new ATOM 0 HB3 LEU A 130 118.064 7.297 9.128 1.00 0.00 H new ATOM 0 HG LEU A 130 117.405 4.615 10.278 1.00 0.00 H new ATOM 0 HD11 LEU A 130 116.950 3.655 8.038 1.00 0.00 H new ATOM 0 HD12 LEU A 130 115.696 4.832 8.496 1.00 0.00 H new ATOM 0 HD13 LEU A 130 116.964 5.289 7.334 1.00 0.00 H new ATOM 0 HD21 LEU A 130 119.299 3.968 8.811 1.00 0.00 H new ATOM 0 HD22 LEU A 130 119.314 5.603 8.110 1.00 0.00 H new ATOM 0 HD23 LEU A 130 119.725 5.367 9.825 1.00 0.00 H new ATOM 2162 N VAL A 131 117.397 9.360 11.211 1.00 0.00 N ATOM 2163 CA VAL A 131 117.996 10.703 11.465 1.00 0.00 C ATOM 2164 C VAL A 131 118.100 10.959 12.971 1.00 0.00 C ATOM 2165 O VAL A 131 118.933 11.717 13.426 1.00 0.00 O ATOM 2166 CB VAL A 131 117.028 11.694 10.818 1.00 0.00 C ATOM 2167 CG1 VAL A 131 117.319 13.105 11.331 1.00 0.00 C ATOM 2168 CG2 VAL A 131 117.207 11.659 9.298 1.00 0.00 C ATOM 0 H VAL A 131 116.439 9.372 10.862 1.00 0.00 H new ATOM 0 HA VAL A 131 119.003 10.791 11.058 1.00 0.00 H new ATOM 0 HB VAL A 131 116.004 11.420 11.073 1.00 0.00 H new ATOM 0 HG11 VAL A 131 116.628 13.810 10.869 1.00 0.00 H new ATOM 0 HG12 VAL A 131 117.194 13.132 12.414 1.00 0.00 H new ATOM 0 HG13 VAL A 131 118.343 13.381 11.077 1.00 0.00 H new ATOM 0 HG21 VAL A 131 116.518 12.365 8.834 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.231 11.933 9.046 1.00 0.00 H new ATOM 0 HG23 VAL A 131 116.999 10.654 8.930 1.00 0.00 H new ATOM 2178 N ALA A 132 117.260 10.332 13.748 1.00 0.00 N ATOM 2179 CA ALA A 132 117.308 10.540 15.224 1.00 0.00 C ATOM 2180 C ALA A 132 118.569 9.898 15.813 1.00 0.00 C ATOM 2181 O ALA A 132 119.357 10.549 16.469 1.00 0.00 O ATOM 2182 CB ALA A 132 116.053 9.850 15.761 1.00 0.00 C ATOM 0 H ALA A 132 116.542 9.684 13.425 1.00 0.00 H new ATOM 0 HA ALA A 132 117.339 11.597 15.490 1.00 0.00 H new ATOM 0 HB1 ALA A 132 116.014 9.958 16.845 1.00 0.00 H new ATOM 0 HB2 ALA A 132 115.168 10.308 15.319 1.00 0.00 H new ATOM 0 HB3 ALA A 132 116.081 8.791 15.503 1.00 0.00 H new ATOM 2188 N LEU A 133 118.761 8.628 15.589 1.00 0.00 N ATOM 2189 CA LEU A 133 119.968 7.947 16.141 1.00 0.00 C ATOM 2190 C LEU A 133 121.230 8.430 15.419 1.00 0.00 C ATOM 2191 O LEU A 133 122.272 8.601 16.019 1.00 0.00 O ATOM 2192 CB LEU A 133 119.736 6.459 15.879 1.00 0.00 C ATOM 2193 CG LEU A 133 120.855 5.643 16.529 1.00 0.00 C ATOM 2194 CD1 LEU A 133 120.599 5.527 18.033 1.00 0.00 C ATOM 2195 CD2 LEU A 133 120.889 4.243 15.908 1.00 0.00 C ATOM 0 H LEU A 133 118.135 8.031 15.048 1.00 0.00 H new ATOM 0 HA LEU A 133 120.112 8.158 17.201 1.00 0.00 H new ATOM 0 HB2 LEU A 133 118.770 6.155 16.281 1.00 0.00 H new ATOM 0 HB3 LEU A 133 119.709 6.268 14.806 1.00 0.00 H new ATOM 0 HG LEU A 133 121.810 6.140 16.363 1.00 0.00 H new ATOM 0 HD11 LEU A 133 121.397 4.945 18.494 1.00 0.00 H new ATOM 0 HD12 LEU A 133 120.573 6.523 18.476 1.00 0.00 H new ATOM 0 HD13 LEU A 133 119.644 5.030 18.202 1.00 0.00 H new ATOM 0 HD21 LEU A 133 121.686 3.660 16.370 1.00 0.00 H new ATOM 0 HD22 LEU A 133 119.933 3.747 16.075 1.00 0.00 H new ATOM 0 HD23 LEU A 133 121.073 4.325 14.837 1.00 0.00 H new ATOM 2207 N LEU A 134 121.145 8.654 14.136 1.00 0.00 N ATOM 2208 CA LEU A 134 122.342 9.125 13.381 1.00 0.00 C ATOM 2209 C LEU A 134 122.670 10.572 13.759 1.00 0.00 C ATOM 2210 O LEU A 134 123.676 10.849 14.380 1.00 0.00 O ATOM 2211 CB LEU A 134 121.945 9.030 11.907 1.00 0.00 C ATOM 2212 CG LEU A 134 121.877 7.560 11.492 1.00 0.00 C ATOM 2213 CD1 LEU A 134 121.007 7.419 10.241 1.00 0.00 C ATOM 2214 CD2 LEU A 134 123.289 7.051 11.188 1.00 0.00 C ATOM 0 H LEU A 134 120.300 8.532 13.578 1.00 0.00 H new ATOM 0 HA LEU A 134 123.229 8.531 13.601 1.00 0.00 H new ATOM 0 HB2 LEU A 134 120.979 9.509 11.748 1.00 0.00 H new ATOM 0 HB3 LEU A 134 122.670 9.560 11.289 1.00 0.00 H new ATOM 0 HG LEU A 134 121.443 6.975 12.303 1.00 0.00 H new ATOM 0 HD11 LEU A 134 120.960 6.370 9.947 1.00 0.00 H new ATOM 0 HD12 LEU A 134 120.001 7.782 10.454 1.00 0.00 H new ATOM 0 HD13 LEU A 134 121.439 8.004 9.429 1.00 0.00 H new ATOM 0 HD21 LEU A 134 123.242 6.003 10.892 1.00 0.00 H new ATOM 0 HD22 LEU A 134 123.721 7.638 10.377 1.00 0.00 H new ATOM 0 HD23 LEU A 134 123.911 7.149 12.078 1.00 0.00 H new