USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 752 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 129 GLN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD Set 2.1: A 57 MET CE :methyl -115:sc= -8.64! (180deg=-2.25!) USER MOD Set 2.2: A 81 MET CE :methyl 162:sc= -7.36! (180deg=-3.19!) USER MOD Set 2.3: A 96 CYS SG : rot -85:sc= -3.81! USER MOD Set 3.1: A 95 GLN : amide:sc= -0.516 K(o=-0.82,f=-2.2) USER MOD Set 3.2: A 99 ASN : amide:sc= -0.306 K(o=-0.82,f=1.5) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -75:sc= 1.17 USER MOD Single : A 40 MET CE :methyl -162:sc= 0 (180deg=-0.402) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -76:sc= -1.59 USER MOD Single : A 48 TYR OH : rot 169:sc= 1.12 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 98:sc= 1.03 USER MOD Single : A 59 MET CE :methyl -143:sc= 0 (180deg=-1.21) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.15) USER MOD Single : A 73 HIS : no HD1:sc= -1.82 K(o=-1.8,f=-0.42) 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 145:sc= -11.7! (180deg=-13.5!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 80:sc= 0.964 USER MOD Single : A 93 SER OG : rot 180:sc= -0.608 USER MOD Single : A 94 GLN : amide:sc= -1.07 K(o=-1.1,f=-5.3!) USER MOD Single : A 97 LYS NZ :NH3+ -141:sc= -0.24 (180deg=-1.52!) USER MOD Single : A 100 MET CE :methyl -146:sc= -1.94 (180deg=-3.81!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -2.72! C(o=-2.7!,f=-6.7!) 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 : amide:sc= 0 X(o=0,f=0.36) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 355 N GLU A 19 130.306 -6.074 -6.045 1.00 0.00 N ATOM 356 CA GLU A 19 128.928 -6.071 -6.615 1.00 0.00 C ATOM 357 C GLU A 19 127.919 -5.605 -5.562 1.00 0.00 C ATOM 358 O GLU A 19 126.851 -6.166 -5.420 1.00 0.00 O ATOM 359 CB GLU A 19 128.663 -7.525 -7.008 1.00 0.00 C ATOM 360 CG GLU A 19 129.798 -8.028 -7.903 1.00 0.00 C ATOM 361 CD GLU A 19 129.348 -8.000 -9.365 1.00 0.00 C ATOM 362 OE1 GLU A 19 128.697 -7.042 -9.746 1.00 0.00 O ATOM 363 OE2 GLU A 19 129.663 -8.939 -10.078 1.00 0.00 O ATOM 0 HA GLU A 19 128.832 -5.394 -7.464 1.00 0.00 H new ATOM 0 HB2 GLU A 19 128.587 -8.146 -6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 19 127.711 -7.603 -7.532 1.00 0.00 H new ATOM 0 HG2 GLU A 19 130.682 -7.404 -7.772 1.00 0.00 H new ATOM 0 HG3 GLU A 19 130.078 -9.042 -7.617 1.00 0.00 H new ATOM 370 N ALA A 20 128.249 -4.581 -4.821 1.00 0.00 N ATOM 371 CA ALA A 20 127.307 -4.080 -3.780 1.00 0.00 C ATOM 372 C ALA A 20 126.124 -3.364 -4.436 1.00 0.00 C ATOM 373 O ALA A 20 124.987 -3.532 -4.040 1.00 0.00 O ATOM 374 CB ALA A 20 128.126 -3.101 -2.938 1.00 0.00 C ATOM 0 H ALA A 20 129.129 -4.071 -4.892 1.00 0.00 H new ATOM 0 HA ALA A 20 126.894 -4.888 -3.177 1.00 0.00 H new ATOM 0 HB1 ALA A 20 127.499 -2.688 -2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 20 128.973 -3.623 -2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 20 128.490 -2.292 -3.572 1.00 0.00 H new ATOM 380 N GLU A 21 126.382 -2.566 -5.438 1.00 0.00 N ATOM 381 CA GLU A 21 125.270 -1.842 -6.117 1.00 0.00 C ATOM 382 C GLU A 21 124.083 -2.786 -6.330 1.00 0.00 C ATOM 383 O GLU A 21 122.938 -2.385 -6.260 1.00 0.00 O ATOM 384 CB GLU A 21 125.851 -1.392 -7.459 1.00 0.00 C ATOM 385 CG GLU A 21 126.143 -2.617 -8.328 1.00 0.00 C ATOM 386 CD GLU A 21 127.048 -2.212 -9.492 1.00 0.00 C ATOM 387 OE1 GLU A 21 127.870 -1.331 -9.300 1.00 0.00 O ATOM 388 OE2 GLU A 21 126.906 -2.790 -10.557 1.00 0.00 O ATOM 0 H GLU A 21 127.313 -2.385 -5.814 1.00 0.00 H new ATOM 0 HA GLU A 21 124.904 -0.998 -5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 21 125.149 -0.732 -7.968 1.00 0.00 H new ATOM 0 HB3 GLU A 21 126.766 -0.821 -7.298 1.00 0.00 H new ATOM 0 HG2 GLU A 21 126.624 -3.393 -7.732 1.00 0.00 H new ATOM 0 HG3 GLU A 21 125.212 -3.038 -8.707 1.00 0.00 H new ATOM 395 N ILE A 22 124.350 -4.037 -6.581 1.00 0.00 N ATOM 396 CA ILE A 22 123.238 -5.009 -6.791 1.00 0.00 C ATOM 397 C ILE A 22 122.666 -5.443 -5.439 1.00 0.00 C ATOM 398 O ILE A 22 121.473 -5.405 -5.217 1.00 0.00 O ATOM 399 CB ILE A 22 123.881 -6.194 -7.511 1.00 0.00 C ATOM 400 CG1 ILE A 22 124.599 -5.695 -8.768 1.00 0.00 C ATOM 401 CG2 ILE A 22 122.798 -7.199 -7.910 1.00 0.00 C ATOM 402 CD1 ILE A 22 123.565 -5.219 -9.790 1.00 0.00 C ATOM 0 H ILE A 22 125.289 -4.430 -6.650 1.00 0.00 H new ATOM 0 HA ILE A 22 122.414 -4.586 -7.366 1.00 0.00 H new ATOM 0 HB ILE A 22 124.598 -6.677 -6.847 1.00 0.00 H new ATOM 0 HG12 ILE A 22 125.277 -4.880 -8.514 1.00 0.00 H new ATOM 0 HG13 ILE A 22 125.207 -6.493 -9.194 1.00 0.00 H new ATOM 0 HG21 ILE A 22 123.257 -8.044 -8.423 1.00 0.00 H new ATOM 0 HG22 ILE A 22 122.283 -7.553 -7.017 1.00 0.00 H new ATOM 0 HG23 ILE A 22 122.081 -6.717 -8.574 1.00 0.00 H new ATOM 0 HD11 ILE A 22 124.075 -4.864 -10.685 1.00 0.00 H new ATOM 0 HD12 ILE A 22 122.905 -6.046 -10.052 1.00 0.00 H new ATOM 0 HD13 ILE A 22 122.977 -4.408 -9.361 1.00 0.00 H new ATOM 414 N LYS A 23 123.512 -5.849 -4.531 1.00 0.00 N ATOM 415 CA LYS A 23 123.021 -6.278 -3.192 1.00 0.00 C ATOM 416 C LYS A 23 122.056 -5.233 -2.626 1.00 0.00 C ATOM 417 O LYS A 23 121.170 -5.543 -1.857 1.00 0.00 O ATOM 418 CB LYS A 23 124.278 -6.381 -2.327 1.00 0.00 C ATOM 419 CG LYS A 23 124.602 -7.854 -2.071 1.00 0.00 C ATOM 420 CD LYS A 23 124.751 -8.583 -3.409 1.00 0.00 C ATOM 421 CE LYS A 23 125.566 -9.862 -3.207 1.00 0.00 C ATOM 422 NZ LYS A 23 126.130 -10.174 -4.551 1.00 0.00 N ATOM 0 H LYS A 23 124.522 -5.902 -4.660 1.00 0.00 H new ATOM 0 HA LYS A 23 122.477 -7.222 -3.230 1.00 0.00 H new ATOM 0 HB2 LYS A 23 125.116 -5.895 -2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 23 124.125 -5.862 -1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 23 125.522 -7.940 -1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 23 123.810 -8.314 -1.480 1.00 0.00 H new ATOM 0 HD2 LYS A 23 123.769 -8.826 -3.814 1.00 0.00 H new ATOM 0 HD3 LYS A 23 125.244 -7.936 -4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 23 126.357 -9.715 -2.471 1.00 0.00 H new ATOM 0 HE3 LYS A 23 124.940 -10.676 -2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 126.703 -11.040 -4.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 125.354 -10.316 -5.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 126.727 -9.384 -4.869 1.00 0.00 H new ATOM 436 N VAL A 24 122.218 -3.995 -3.010 1.00 0.00 N ATOM 437 CA VAL A 24 121.306 -2.931 -2.500 1.00 0.00 C ATOM 438 C VAL A 24 120.045 -2.863 -3.365 1.00 0.00 C ATOM 439 O VAL A 24 118.965 -2.581 -2.885 1.00 0.00 O ATOM 440 CB VAL A 24 122.107 -1.634 -2.613 1.00 0.00 C ATOM 441 CG1 VAL A 24 121.222 -0.450 -2.219 1.00 0.00 C ATOM 442 CG2 VAL A 24 123.314 -1.700 -1.675 1.00 0.00 C ATOM 0 H VAL A 24 122.941 -3.675 -3.654 1.00 0.00 H new ATOM 0 HA VAL A 24 120.981 -3.118 -1.477 1.00 0.00 H new ATOM 0 HB VAL A 24 122.448 -1.506 -3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 24 121.794 0.474 -2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 24 120.360 -0.403 -2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 24 120.881 -0.577 -1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 24 123.887 -0.776 -1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 24 122.970 -1.828 -0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 24 123.946 -2.543 -1.954 1.00 0.00 H new ATOM 452 N ARG A 25 120.173 -3.125 -4.638 1.00 0.00 N ATOM 453 CA ARG A 25 118.980 -3.079 -5.533 1.00 0.00 C ATOM 454 C ARG A 25 117.964 -4.138 -5.102 1.00 0.00 C ATOM 455 O ARG A 25 116.776 -3.889 -5.047 1.00 0.00 O ATOM 456 CB ARG A 25 119.520 -3.387 -6.930 1.00 0.00 C ATOM 457 CG ARG A 25 118.697 -2.631 -7.977 1.00 0.00 C ATOM 458 CD ARG A 25 119.342 -2.802 -9.355 1.00 0.00 C ATOM 459 NE ARG A 25 118.239 -2.567 -10.328 1.00 0.00 N ATOM 460 CZ ARG A 25 118.371 -1.658 -11.255 1.00 0.00 C ATOM 461 NH1 ARG A 25 118.657 -0.428 -10.928 1.00 0.00 N ATOM 462 NH2 ARG A 25 118.216 -1.980 -12.510 1.00 0.00 N ATOM 0 H ARG A 25 121.051 -3.369 -5.097 1.00 0.00 H new ATOM 0 HA ARG A 25 118.471 -2.116 -5.500 1.00 0.00 H new ATOM 0 HB2 ARG A 25 120.568 -3.097 -6.998 1.00 0.00 H new ATOM 0 HB3 ARG A 25 119.473 -4.459 -7.121 1.00 0.00 H new ATOM 0 HG2 ARG A 25 117.675 -3.008 -7.993 1.00 0.00 H new ATOM 0 HG3 ARG A 25 118.642 -1.574 -7.718 1.00 0.00 H new ATOM 0 HD2 ARG A 25 120.155 -2.091 -9.501 1.00 0.00 H new ATOM 0 HD3 ARG A 25 119.766 -3.800 -9.472 1.00 0.00 H new ATOM 0 HE ARG A 25 117.381 -3.116 -10.270 1.00 0.00 H new ATOM 0 HH11 ARG A 25 118.778 -0.176 -9.947 1.00 0.00 H new ATOM 0 HH12 ARG A 25 118.760 0.282 -11.653 1.00 0.00 H new ATOM 0 HH21 ARG A 25 117.992 -2.942 -12.766 1.00 0.00 H new ATOM 0 HH22 ARG A 25 118.319 -1.270 -13.235 1.00 0.00 H new ATOM 476 N GLU A 26 118.427 -5.316 -4.795 1.00 0.00 N ATOM 477 CA GLU A 26 117.495 -6.396 -4.363 1.00 0.00 C ATOM 478 C GLU A 26 117.026 -6.142 -2.928 1.00 0.00 C ATOM 479 O GLU A 26 115.909 -6.455 -2.565 1.00 0.00 O ATOM 480 CB GLU A 26 118.317 -7.683 -4.436 1.00 0.00 C ATOM 481 CG GLU A 26 117.773 -8.575 -5.553 1.00 0.00 C ATOM 482 CD GLU A 26 117.676 -10.019 -5.053 1.00 0.00 C ATOM 483 OE1 GLU A 26 118.670 -10.721 -5.135 1.00 0.00 O ATOM 484 OE2 GLU A 26 116.609 -10.396 -4.597 1.00 0.00 O ATOM 0 H GLU A 26 119.412 -5.579 -4.824 1.00 0.00 H new ATOM 0 HA GLU A 26 116.603 -6.447 -4.988 1.00 0.00 H new ATOM 0 HB2 GLU A 26 119.365 -7.447 -4.622 1.00 0.00 H new ATOM 0 HB3 GLU A 26 118.273 -8.209 -3.482 1.00 0.00 H new ATOM 0 HG2 GLU A 26 116.791 -8.222 -5.869 1.00 0.00 H new ATOM 0 HG3 GLU A 26 118.426 -8.524 -6.424 1.00 0.00 H new ATOM 491 N ALA A 27 117.870 -5.574 -2.112 1.00 0.00 N ATOM 492 CA ALA A 27 117.472 -5.299 -0.702 1.00 0.00 C ATOM 493 C ALA A 27 116.331 -4.279 -0.666 1.00 0.00 C ATOM 494 O ALA A 27 115.576 -4.209 0.282 1.00 0.00 O ATOM 495 CB ALA A 27 118.726 -4.726 -0.042 1.00 0.00 C ATOM 0 H ALA A 27 118.817 -5.288 -2.360 1.00 0.00 H new ATOM 0 HA ALA A 27 117.115 -6.193 -0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 27 118.515 -4.496 1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 27 119.533 -5.457 -0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 27 119.026 -3.815 -0.560 1.00 0.00 H new ATOM 501 N THR A 28 116.199 -3.488 -1.697 1.00 0.00 N ATOM 502 CA THR A 28 115.106 -2.473 -1.724 1.00 0.00 C ATOM 503 C THR A 28 114.334 -2.562 -3.042 1.00 0.00 C ATOM 504 O THR A 28 114.495 -1.742 -3.924 1.00 0.00 O ATOM 505 CB THR A 28 115.814 -1.121 -1.608 1.00 0.00 C ATOM 506 OG1 THR A 28 116.805 -1.021 -2.621 1.00 0.00 O ATOM 507 CG2 THR A 28 116.472 -1.001 -0.234 1.00 0.00 C ATOM 0 H THR A 28 116.800 -3.501 -2.521 1.00 0.00 H new ATOM 0 HA THR A 28 114.384 -2.624 -0.922 1.00 0.00 H new ATOM 0 HB THR A 28 115.087 -0.318 -1.729 1.00 0.00 H new ATOM 0 HG1 THR A 28 117.576 -1.576 -2.381 1.00 0.00 H new ATOM 0 HG21 THR A 28 116.975 -0.037 -0.154 1.00 0.00 H new ATOM 0 HG22 THR A 28 115.710 -1.078 0.542 1.00 0.00 H new ATOM 0 HG23 THR A 28 117.200 -1.802 -0.108 1.00 0.00 H new ATOM 644 N LEU A 39 119.870 -10.416 2.916 1.00 0.00 N ATOM 645 CA LEU A 39 120.718 -9.524 2.081 1.00 0.00 C ATOM 646 C LEU A 39 121.060 -8.235 2.839 1.00 0.00 C ATOM 647 O LEU A 39 121.426 -7.238 2.250 1.00 0.00 O ATOM 648 CB LEU A 39 119.854 -9.229 0.864 1.00 0.00 C ATOM 649 CG LEU A 39 120.740 -8.806 -0.309 1.00 0.00 C ATOM 650 CD1 LEU A 39 121.215 -10.047 -1.066 1.00 0.00 C ATOM 651 CD2 LEU A 39 119.934 -7.911 -1.254 1.00 0.00 C ATOM 0 HA LEU A 39 121.673 -9.977 1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 39 119.275 -10.112 0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 39 119.140 -8.439 1.096 1.00 0.00 H new ATOM 0 HG LEU A 39 121.605 -8.259 0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 39 121.846 -9.744 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 39 121.786 -10.687 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 39 120.352 -10.595 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 39 120.562 -7.607 -2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 39 119.071 -8.461 -1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 39 119.594 -7.026 -0.716 1.00 0.00 H new ATOM 663 N MET A 40 120.951 -8.250 4.142 1.00 0.00 N ATOM 664 CA MET A 40 121.277 -7.030 4.932 1.00 0.00 C ATOM 665 C MET A 40 122.710 -7.119 5.458 1.00 0.00 C ATOM 666 O MET A 40 123.462 -6.165 5.414 1.00 0.00 O ATOM 667 CB MET A 40 120.276 -7.025 6.088 1.00 0.00 C ATOM 668 CG MET A 40 119.153 -6.032 5.785 1.00 0.00 C ATOM 669 SD MET A 40 117.608 -6.621 6.522 1.00 0.00 S ATOM 670 CE MET A 40 116.484 -5.582 5.555 1.00 0.00 C ATOM 0 H MET A 40 120.650 -9.055 4.691 1.00 0.00 H new ATOM 0 HA MET A 40 121.211 -6.119 4.338 1.00 0.00 H new ATOM 0 HB2 MET A 40 119.864 -8.024 6.231 1.00 0.00 H new ATOM 0 HB3 MET A 40 120.777 -6.751 7.016 1.00 0.00 H new ATOM 0 HG2 MET A 40 119.406 -5.049 6.182 1.00 0.00 H new ATOM 0 HG3 MET A 40 119.034 -5.919 4.707 1.00 0.00 H new ATOM 0 HE1 MET A 40 115.514 -5.538 6.049 1.00 0.00 H new ATOM 0 HE2 MET A 40 116.897 -4.576 5.475 1.00 0.00 H new ATOM 0 HE3 MET A 40 116.364 -6.006 4.558 1.00 0.00 H new ATOM 680 N SER A 41 123.092 -8.262 5.960 1.00 0.00 N ATOM 681 CA SER A 41 124.476 -8.419 6.496 1.00 0.00 C ATOM 682 C SER A 41 125.500 -8.334 5.361 1.00 0.00 C ATOM 683 O SER A 41 126.627 -7.925 5.560 1.00 0.00 O ATOM 684 CB SER A 41 124.497 -9.807 7.133 1.00 0.00 C ATOM 685 OG SER A 41 125.828 -10.125 7.517 1.00 0.00 O ATOM 0 H SER A 41 122.506 -9.094 6.022 1.00 0.00 H new ATOM 0 HA SER A 41 124.732 -7.637 7.211 1.00 0.00 H new ATOM 0 HB2 SER A 41 123.839 -9.831 8.002 1.00 0.00 H new ATOM 0 HB3 SER A 41 124.122 -10.549 6.428 1.00 0.00 H new ATOM 0 HG SER A 41 125.846 -11.015 7.928 1.00 0.00 H new ATOM 691 N GLU A 42 125.119 -8.717 4.174 1.00 0.00 N ATOM 692 CA GLU A 42 126.074 -8.658 3.031 1.00 0.00 C ATOM 693 C GLU A 42 126.290 -7.208 2.592 1.00 0.00 C ATOM 694 O GLU A 42 127.408 -6.754 2.450 1.00 0.00 O ATOM 695 CB GLU A 42 125.407 -9.464 1.916 1.00 0.00 C ATOM 696 CG GLU A 42 126.452 -10.337 1.221 1.00 0.00 C ATOM 697 CD GLU A 42 127.399 -9.453 0.409 1.00 0.00 C ATOM 698 OE1 GLU A 42 127.906 -8.493 0.967 1.00 0.00 O ATOM 699 OE2 GLU A 42 127.599 -9.748 -0.758 1.00 0.00 O ATOM 0 H GLU A 42 124.189 -9.068 3.946 1.00 0.00 H new ATOM 0 HA GLU A 42 127.054 -9.057 3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 42 124.613 -10.087 2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 42 124.942 -8.792 1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 42 127.014 -10.907 1.960 1.00 0.00 H new ATOM 0 HG3 GLU A 42 125.962 -11.059 0.568 1.00 0.00 H new ATOM 706 N ILE A 43 125.231 -6.479 2.372 1.00 0.00 N ATOM 707 CA ILE A 43 125.384 -5.060 1.939 1.00 0.00 C ATOM 708 C ILE A 43 126.233 -4.285 2.951 1.00 0.00 C ATOM 709 O ILE A 43 127.020 -3.434 2.590 1.00 0.00 O ATOM 710 CB ILE A 43 123.961 -4.505 1.882 1.00 0.00 C ATOM 711 CG1 ILE A 43 123.271 -5.021 0.617 1.00 0.00 C ATOM 712 CG2 ILE A 43 124.010 -2.977 1.847 1.00 0.00 C ATOM 713 CD1 ILE A 43 121.755 -5.025 0.822 1.00 0.00 C ATOM 0 H ILE A 43 124.269 -6.802 2.473 1.00 0.00 H new ATOM 0 HA ILE A 43 125.889 -4.973 0.977 1.00 0.00 H new ATOM 0 HB ILE A 43 123.406 -4.829 2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 43 123.531 -4.391 -0.234 1.00 0.00 H new ATOM 0 HG13 ILE A 43 123.619 -6.028 0.386 1.00 0.00 H new ATOM 0 HG21 ILE A 43 122.995 -2.581 1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 43 124.508 -2.608 2.744 1.00 0.00 H new ATOM 0 HG23 ILE A 43 124.562 -2.651 0.966 1.00 0.00 H new ATOM 0 HD11 ILE A 43 121.267 -5.393 -0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 43 121.503 -5.674 1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 43 121.414 -4.011 1.032 1.00 0.00 H new ATOM 725 N ALA A 44 126.089 -4.576 4.214 1.00 0.00 N ATOM 726 CA ALA A 44 126.903 -3.856 5.235 1.00 0.00 C ATOM 727 C ALA A 44 128.366 -4.291 5.121 1.00 0.00 C ATOM 728 O ALA A 44 129.271 -3.476 5.062 1.00 0.00 O ATOM 729 CB ALA A 44 126.312 -4.272 6.582 1.00 0.00 C ATOM 0 H ALA A 44 125.447 -5.277 4.583 1.00 0.00 H new ATOM 0 HA ALA A 44 126.879 -2.774 5.108 1.00 0.00 H new ATOM 0 HB1 ALA A 44 126.860 -3.782 7.387 1.00 0.00 H new ATOM 0 HB2 ALA A 44 125.263 -3.978 6.625 1.00 0.00 H new ATOM 0 HB3 ALA A 44 126.391 -5.353 6.696 1.00 0.00 H new ATOM 735 N ASP A 45 128.609 -5.571 5.066 1.00 0.00 N ATOM 736 CA ASP A 45 130.012 -6.047 4.929 1.00 0.00 C ATOM 737 C ASP A 45 130.654 -5.362 3.724 1.00 0.00 C ATOM 738 O ASP A 45 131.861 -5.276 3.611 1.00 0.00 O ATOM 739 CB ASP A 45 129.904 -7.556 4.703 1.00 0.00 C ATOM 740 CG ASP A 45 130.321 -8.293 5.977 1.00 0.00 C ATOM 741 OD1 ASP A 45 129.596 -8.204 6.953 1.00 0.00 O ATOM 742 OD2 ASP A 45 131.358 -8.935 5.954 1.00 0.00 O ATOM 0 H ASP A 45 127.901 -6.304 5.110 1.00 0.00 H new ATOM 0 HA ASP A 45 130.625 -5.822 5.802 1.00 0.00 H new ATOM 0 HB2 ASP A 45 128.882 -7.822 4.434 1.00 0.00 H new ATOM 0 HB3 ASP A 45 130.541 -7.857 3.871 1.00 0.00 H new ATOM 747 N LEU A 46 129.847 -4.866 2.824 1.00 0.00 N ATOM 748 CA LEU A 46 130.395 -4.177 1.624 1.00 0.00 C ATOM 749 C LEU A 46 130.763 -2.735 1.975 1.00 0.00 C ATOM 750 O LEU A 46 131.747 -2.206 1.500 1.00 0.00 O ATOM 751 CB LEU A 46 129.269 -4.211 0.591 1.00 0.00 C ATOM 752 CG LEU A 46 129.296 -5.549 -0.148 1.00 0.00 C ATOM 753 CD1 LEU A 46 127.950 -5.776 -0.841 1.00 0.00 C ATOM 754 CD2 LEU A 46 130.411 -5.529 -1.196 1.00 0.00 C ATOM 0 H LEU A 46 128.829 -4.910 2.870 1.00 0.00 H new ATOM 0 HA LEU A 46 131.299 -4.656 1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 46 128.306 -4.074 1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 46 129.385 -3.390 -0.117 1.00 0.00 H new ATOM 0 HG LEU A 46 129.479 -6.354 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 46 127.968 -6.730 -1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 46 127.155 -5.789 -0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 46 127.767 -4.971 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 46 130.431 -6.483 -1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 46 130.227 -4.724 -1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 46 131.370 -5.366 -0.704 1.00 0.00 H new ATOM 766 N THR A 47 129.989 -2.096 2.809 1.00 0.00 N ATOM 767 CA THR A 47 130.323 -0.693 3.184 1.00 0.00 C ATOM 768 C THR A 47 131.775 -0.635 3.653 1.00 0.00 C ATOM 769 O THR A 47 132.523 0.249 3.291 1.00 0.00 O ATOM 770 CB THR A 47 129.379 -0.324 4.331 1.00 0.00 C ATOM 771 OG1 THR A 47 129.582 -1.214 5.418 1.00 0.00 O ATOM 772 CG2 THR A 47 127.928 -0.412 3.858 1.00 0.00 C ATOM 0 H THR A 47 129.149 -2.479 3.243 1.00 0.00 H new ATOM 0 HA THR A 47 130.209 -0.004 2.347 1.00 0.00 H new ATOM 0 HB THR A 47 129.588 0.696 4.654 1.00 0.00 H new ATOM 0 HG1 THR A 47 129.164 -2.077 5.216 1.00 0.00 H new ATOM 0 HG21 THR A 47 127.261 -0.148 4.679 1.00 0.00 H new ATOM 0 HG22 THR A 47 127.773 0.278 3.029 1.00 0.00 H new ATOM 0 HG23 THR A 47 127.714 -1.429 3.529 1.00 0.00 H new ATOM 780 N TYR A 48 132.182 -1.586 4.450 1.00 0.00 N ATOM 781 CA TYR A 48 133.594 -1.587 4.928 1.00 0.00 C ATOM 782 C TYR A 48 134.529 -1.295 3.752 1.00 0.00 C ATOM 783 O TYR A 48 135.463 -0.524 3.861 1.00 0.00 O ATOM 784 CB TYR A 48 133.833 -2.998 5.469 1.00 0.00 C ATOM 785 CG TYR A 48 133.012 -3.205 6.719 1.00 0.00 C ATOM 786 CD1 TYR A 48 133.504 -2.776 7.958 1.00 0.00 C ATOM 787 CD2 TYR A 48 131.760 -3.825 6.638 1.00 0.00 C ATOM 788 CE1 TYR A 48 132.742 -2.970 9.117 1.00 0.00 C ATOM 789 CE2 TYR A 48 130.998 -4.017 7.797 1.00 0.00 C ATOM 790 CZ TYR A 48 131.490 -3.590 9.037 1.00 0.00 C ATOM 791 OH TYR A 48 130.738 -3.779 10.179 1.00 0.00 O ATOM 0 H TYR A 48 131.604 -2.355 4.788 1.00 0.00 H new ATOM 0 HA TYR A 48 133.781 -0.830 5.690 1.00 0.00 H new ATOM 0 HB2 TYR A 48 133.561 -3.738 4.716 1.00 0.00 H new ATOM 0 HB3 TYR A 48 134.891 -3.140 5.689 1.00 0.00 H new ATOM 0 HD1 TYR A 48 134.470 -2.296 8.020 1.00 0.00 H new ATOM 0 HD2 TYR A 48 131.382 -4.155 5.682 1.00 0.00 H new ATOM 0 HE1 TYR A 48 133.121 -2.641 10.073 1.00 0.00 H new ATOM 0 HE2 TYR A 48 130.031 -4.494 7.735 1.00 0.00 H new ATOM 0 HH TYR A 48 129.832 -4.058 9.931 1.00 0.00 H new ATOM 801 N ASN A 49 134.275 -1.905 2.627 1.00 0.00 N ATOM 802 CA ASN A 49 135.134 -1.669 1.429 1.00 0.00 C ATOM 803 C ASN A 49 134.889 -0.278 0.863 1.00 0.00 C ATOM 804 O ASN A 49 134.054 -0.081 0.005 1.00 0.00 O ATOM 805 CB ASN A 49 134.719 -2.745 0.424 1.00 0.00 C ATOM 806 CG ASN A 49 135.853 -3.757 0.261 1.00 0.00 C ATOM 807 OD1 ASN A 49 135.928 -4.726 0.992 1.00 0.00 O ATOM 808 ND2 ASN A 49 136.746 -3.576 -0.673 1.00 0.00 N ATOM 0 H ASN A 49 133.506 -2.560 2.484 1.00 0.00 H new ATOM 0 HA ASN A 49 136.196 -1.725 1.668 1.00 0.00 H new ATOM 0 HB2 ASN A 49 133.815 -3.248 0.767 1.00 0.00 H new ATOM 0 HB3 ASN A 49 134.484 -2.288 -0.537 1.00 0.00 H new ATOM 0 HD21 ASN A 49 137.506 -4.247 -0.789 1.00 0.00 H new ATOM 0 HD22 ASN A 49 136.684 -2.764 -1.287 1.00 0.00 H new ATOM 815 N VAL A 50 135.656 0.661 1.344 1.00 0.00 N ATOM 816 CA VAL A 50 135.591 2.082 0.882 1.00 0.00 C ATOM 817 C VAL A 50 134.716 2.257 -0.367 1.00 0.00 C ATOM 818 O VAL A 50 133.752 2.996 -0.359 1.00 0.00 O ATOM 819 CB VAL A 50 137.053 2.441 0.569 1.00 0.00 C ATOM 820 CG1 VAL A 50 137.728 2.953 1.842 1.00 0.00 C ATOM 821 CG2 VAL A 50 137.827 1.205 0.053 1.00 0.00 C ATOM 0 H VAL A 50 136.355 0.496 2.069 1.00 0.00 H new ATOM 0 HA VAL A 50 135.139 2.725 1.637 1.00 0.00 H new ATOM 0 HB VAL A 50 137.063 3.209 -0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 50 138.765 3.209 1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 50 137.203 3.838 2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 50 137.698 2.177 2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 50 138.858 1.485 -0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 50 137.813 0.424 0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 50 137.355 0.834 -0.857 1.00 0.00 H new ATOM 831 N VAL A 51 135.042 1.587 -1.439 1.00 0.00 N ATOM 832 CA VAL A 51 134.225 1.726 -2.680 1.00 0.00 C ATOM 833 C VAL A 51 132.829 1.159 -2.461 1.00 0.00 C ATOM 834 O VAL A 51 131.840 1.864 -2.514 1.00 0.00 O ATOM 835 CB VAL A 51 134.954 0.892 -3.741 1.00 0.00 C ATOM 836 CG1 VAL A 51 133.965 0.444 -4.836 1.00 0.00 C ATOM 837 CG2 VAL A 51 136.063 1.736 -4.370 1.00 0.00 C ATOM 0 H VAL A 51 135.836 0.951 -1.510 1.00 0.00 H new ATOM 0 HA VAL A 51 134.115 2.770 -2.973 1.00 0.00 H new ATOM 0 HB VAL A 51 135.384 0.008 -3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 51 134.493 -0.147 -5.584 1.00 0.00 H new ATOM 0 HG12 VAL A 51 133.175 -0.159 -4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 51 133.526 1.321 -5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 51 136.584 1.148 -5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 51 135.628 2.620 -4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 51 136.769 2.043 -3.598 1.00 0.00 H new ATOM 847 N ALA A 52 132.756 -0.127 -2.266 1.00 0.00 N ATOM 848 CA ALA A 52 131.442 -0.795 -2.092 1.00 0.00 C ATOM 849 C ALA A 52 130.470 0.107 -1.331 1.00 0.00 C ATOM 850 O ALA A 52 129.314 0.217 -1.678 1.00 0.00 O ATOM 851 CB ALA A 52 131.742 -2.056 -1.289 1.00 0.00 C ATOM 0 H ALA A 52 133.563 -0.750 -2.220 1.00 0.00 H new ATOM 0 HA ALA A 52 130.971 -1.020 -3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 52 130.817 -2.607 -1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 52 132.441 -2.683 -1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 52 132.183 -1.781 -0.331 1.00 0.00 H new ATOM 857 N PHE A 53 130.933 0.751 -0.297 1.00 0.00 N ATOM 858 CA PHE A 53 130.038 1.648 0.483 1.00 0.00 C ATOM 859 C PHE A 53 129.469 2.745 -0.422 1.00 0.00 C ATOM 860 O PHE A 53 128.272 2.921 -0.523 1.00 0.00 O ATOM 861 CB PHE A 53 130.939 2.256 1.553 1.00 0.00 C ATOM 862 CG PHE A 53 130.203 3.371 2.242 1.00 0.00 C ATOM 863 CD1 PHE A 53 129.010 3.101 2.915 1.00 0.00 C ATOM 864 CD2 PHE A 53 130.710 4.672 2.202 1.00 0.00 C ATOM 865 CE1 PHE A 53 128.320 4.135 3.554 1.00 0.00 C ATOM 866 CE2 PHE A 53 130.022 5.710 2.841 1.00 0.00 C ATOM 867 CZ PHE A 53 128.825 5.441 3.518 1.00 0.00 C ATOM 0 H PHE A 53 131.893 0.695 0.042 1.00 0.00 H new ATOM 0 HA PHE A 53 129.188 1.118 0.911 1.00 0.00 H new ATOM 0 HB2 PHE A 53 131.230 1.494 2.276 1.00 0.00 H new ATOM 0 HB3 PHE A 53 131.856 2.634 1.102 1.00 0.00 H new ATOM 0 HD1 PHE A 53 128.621 2.094 2.942 1.00 0.00 H new ATOM 0 HD2 PHE A 53 131.632 4.877 1.678 1.00 0.00 H new ATOM 0 HE1 PHE A 53 127.397 3.927 4.076 1.00 0.00 H new ATOM 0 HE2 PHE A 53 130.413 6.716 2.812 1.00 0.00 H new ATOM 0 HZ PHE A 53 128.292 6.240 4.012 1.00 0.00 H new ATOM 877 N SER A 54 130.321 3.482 -1.081 1.00 0.00 N ATOM 878 CA SER A 54 129.828 4.566 -1.979 1.00 0.00 C ATOM 879 C SER A 54 128.820 3.996 -2.980 1.00 0.00 C ATOM 880 O SER A 54 127.933 4.685 -3.445 1.00 0.00 O ATOM 881 CB SER A 54 131.073 5.077 -2.701 1.00 0.00 C ATOM 882 OG SER A 54 130.704 6.122 -3.591 1.00 0.00 O ATOM 0 H SER A 54 131.335 3.381 -1.037 1.00 0.00 H new ATOM 0 HA SER A 54 129.321 5.362 -1.433 1.00 0.00 H new ATOM 0 HB2 SER A 54 131.803 5.440 -1.978 1.00 0.00 H new ATOM 0 HB3 SER A 54 131.547 4.265 -3.252 1.00 0.00 H new ATOM 0 HG SER A 54 131.501 6.453 -4.055 1.00 0.00 H new ATOM 888 N GLU A 55 128.947 2.740 -3.311 1.00 0.00 N ATOM 889 CA GLU A 55 127.998 2.119 -4.277 1.00 0.00 C ATOM 890 C GLU A 55 126.696 1.741 -3.563 1.00 0.00 C ATOM 891 O GLU A 55 125.629 1.745 -4.145 1.00 0.00 O ATOM 892 CB GLU A 55 128.717 0.868 -4.787 1.00 0.00 C ATOM 893 CG GLU A 55 130.144 1.231 -5.212 1.00 0.00 C ATOM 894 CD GLU A 55 130.271 1.105 -6.730 1.00 0.00 C ATOM 895 OE1 GLU A 55 129.977 2.074 -7.411 1.00 0.00 O ATOM 896 OE2 GLU A 55 130.659 0.043 -7.187 1.00 0.00 O ATOM 0 H GLU A 55 129.670 2.116 -2.953 1.00 0.00 H new ATOM 0 HA GLU A 55 127.730 2.793 -5.091 1.00 0.00 H new ATOM 0 HB2 GLU A 55 128.742 0.107 -4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 55 128.173 0.442 -5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 55 130.380 2.248 -4.900 1.00 0.00 H new ATOM 0 HG3 GLU A 55 130.860 0.572 -4.720 1.00 0.00 H new ATOM 903 N ILE A 56 126.781 1.419 -2.301 1.00 0.00 N ATOM 904 CA ILE A 56 125.560 1.042 -1.535 1.00 0.00 C ATOM 905 C ILE A 56 124.746 2.294 -1.200 1.00 0.00 C ATOM 906 O ILE A 56 123.645 2.478 -1.680 1.00 0.00 O ATOM 907 CB ILE A 56 126.088 0.382 -0.260 1.00 0.00 C ATOM 908 CG1 ILE A 56 126.601 -1.021 -0.590 1.00 0.00 C ATOM 909 CG2 ILE A 56 124.964 0.285 0.773 1.00 0.00 C ATOM 910 CD1 ILE A 56 127.848 -1.320 0.244 1.00 0.00 C ATOM 0 H ILE A 56 127.649 1.401 -1.765 1.00 0.00 H new ATOM 0 HA ILE A 56 124.902 0.377 -2.095 1.00 0.00 H new ATOM 0 HB ILE A 56 126.901 0.982 0.148 1.00 0.00 H new ATOM 0 HG12 ILE A 56 125.827 -1.760 -0.383 1.00 0.00 H new ATOM 0 HG13 ILE A 56 126.835 -1.093 -1.652 1.00 0.00 H new ATOM 0 HG21 ILE A 56 125.343 -0.186 1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 56 124.599 1.285 1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 56 124.148 -0.313 0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 56 128.212 -2.320 0.008 1.00 0.00 H new ATOM 0 HD12 ILE A 56 128.623 -0.588 0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 56 127.599 -1.266 1.304 1.00 0.00 H new ATOM 922 N MET A 57 125.282 3.161 -0.386 1.00 0.00 N ATOM 923 CA MET A 57 124.541 4.404 -0.031 1.00 0.00 C ATOM 924 C MET A 57 123.955 5.036 -1.294 1.00 0.00 C ATOM 925 O MET A 57 122.887 5.612 -1.274 1.00 0.00 O ATOM 926 CB MET A 57 125.589 5.327 0.588 1.00 0.00 C ATOM 927 CG MET A 57 126.040 4.759 1.934 1.00 0.00 C ATOM 928 SD MET A 57 124.611 4.608 3.033 1.00 0.00 S ATOM 929 CE MET A 57 124.559 6.334 3.573 1.00 0.00 C ATOM 0 H MET A 57 126.200 3.063 0.048 1.00 0.00 H new ATOM 0 HA MET A 57 123.713 4.214 0.651 1.00 0.00 H new ATOM 0 HB2 MET A 57 126.443 5.425 -0.082 1.00 0.00 H new ATOM 0 HB3 MET A 57 125.174 6.326 0.724 1.00 0.00 H new ATOM 0 HG2 MET A 57 126.507 3.785 1.792 1.00 0.00 H new ATOM 0 HG3 MET A 57 126.790 5.410 2.383 1.00 0.00 H new ATOM 0 HE1 MET A 57 124.772 6.388 4.641 1.00 0.00 H new ATOM 0 HE2 MET A 57 125.305 6.909 3.025 1.00 0.00 H new ATOM 0 HE3 MET A 57 123.569 6.746 3.379 1.00 0.00 H new ATOM 939 N SER A 58 124.648 4.929 -2.395 1.00 0.00 N ATOM 940 CA SER A 58 124.134 5.520 -3.663 1.00 0.00 C ATOM 941 C SER A 58 122.759 4.935 -3.997 1.00 0.00 C ATOM 942 O SER A 58 121.766 5.636 -4.025 1.00 0.00 O ATOM 943 CB SER A 58 125.156 5.127 -4.728 1.00 0.00 C ATOM 944 OG SER A 58 126.261 6.020 -4.671 1.00 0.00 O ATOM 0 H SER A 58 125.549 4.457 -2.471 1.00 0.00 H new ATOM 0 HA SER A 58 124.013 6.601 -3.596 1.00 0.00 H new ATOM 0 HB2 SER A 58 125.492 4.103 -4.565 1.00 0.00 H new ATOM 0 HB3 SER A 58 124.699 5.159 -5.717 1.00 0.00 H new ATOM 0 HG SER A 58 126.986 5.611 -4.154 1.00 0.00 H new ATOM 950 N MET A 59 122.691 3.656 -4.250 1.00 0.00 N ATOM 951 CA MET A 59 121.376 3.031 -4.581 1.00 0.00 C ATOM 952 C MET A 59 120.380 3.266 -3.442 1.00 0.00 C ATOM 953 O MET A 59 119.182 3.179 -3.624 1.00 0.00 O ATOM 954 CB MET A 59 121.673 1.539 -4.735 1.00 0.00 C ATOM 955 CG MET A 59 122.342 1.286 -6.086 1.00 0.00 C ATOM 956 SD MET A 59 121.236 0.308 -7.134 1.00 0.00 S ATOM 957 CE MET A 59 122.341 0.166 -8.561 1.00 0.00 C ATOM 0 H MET A 59 123.486 3.017 -4.242 1.00 0.00 H new ATOM 0 HA MET A 59 120.933 3.452 -5.483 1.00 0.00 H new ATOM 0 HB2 MET A 59 122.323 1.202 -3.927 1.00 0.00 H new ATOM 0 HB3 MET A 59 120.749 0.965 -4.662 1.00 0.00 H new ATOM 0 HG2 MET A 59 122.576 2.234 -6.571 1.00 0.00 H new ATOM 0 HG3 MET A 59 123.286 0.759 -5.944 1.00 0.00 H new ATOM 0 HE1 MET A 59 121.757 0.219 -9.480 1.00 0.00 H new ATOM 0 HE2 MET A 59 123.065 0.981 -8.543 1.00 0.00 H new ATOM 0 HE3 MET A 59 122.867 -0.788 -8.520 1.00 0.00 H new ATOM 967 N ILE A 60 120.868 3.563 -2.270 1.00 0.00 N ATOM 968 CA ILE A 60 119.953 3.804 -1.117 1.00 0.00 C ATOM 969 C ILE A 60 119.376 5.226 -1.193 1.00 0.00 C ATOM 970 O ILE A 60 118.271 5.482 -0.757 1.00 0.00 O ATOM 971 CB ILE A 60 120.842 3.605 0.125 1.00 0.00 C ATOM 972 CG1 ILE A 60 120.598 2.207 0.697 1.00 0.00 C ATOM 973 CG2 ILE A 60 120.520 4.650 1.198 1.00 0.00 C ATOM 974 CD1 ILE A 60 121.928 1.461 0.816 1.00 0.00 C ATOM 0 H ILE A 60 121.862 3.650 -2.059 1.00 0.00 H new ATOM 0 HA ILE A 60 119.093 3.134 -1.100 1.00 0.00 H new ATOM 0 HB ILE A 60 121.885 3.718 -0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 60 120.123 2.281 1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 60 119.916 1.653 0.052 1.00 0.00 H new ATOM 0 HG21 ILE A 60 121.160 4.490 2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 60 120.695 5.649 0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 60 119.476 4.556 1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 60 121.752 0.466 1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 60 122.386 1.374 -0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 60 122.596 2.011 1.479 1.00 0.00 H new ATOM 986 N TRP A 61 120.116 6.150 -1.742 1.00 0.00 N ATOM 987 CA TRP A 61 119.610 7.550 -1.846 1.00 0.00 C ATOM 988 C TRP A 61 118.672 7.684 -3.048 1.00 0.00 C ATOM 989 O TRP A 61 117.615 8.276 -2.960 1.00 0.00 O ATOM 990 CB TRP A 61 120.859 8.410 -2.042 1.00 0.00 C ATOM 991 CG TRP A 61 121.662 8.418 -0.781 1.00 0.00 C ATOM 992 CD1 TRP A 61 122.979 8.121 -0.699 1.00 0.00 C ATOM 993 CD2 TRP A 61 121.228 8.735 0.574 1.00 0.00 C ATOM 994 NE1 TRP A 61 123.381 8.233 0.619 1.00 0.00 N ATOM 995 CE2 TRP A 61 122.338 8.610 1.442 1.00 0.00 C ATOM 996 CE3 TRP A 61 119.992 9.115 1.129 1.00 0.00 C ATOM 997 CZ2 TRP A 61 122.227 8.852 2.812 1.00 0.00 C ATOM 998 CZ3 TRP A 61 119.877 9.360 2.507 1.00 0.00 C ATOM 999 CH2 TRP A 61 120.992 9.229 3.347 1.00 0.00 C ATOM 0 H TRP A 61 121.050 5.997 -2.123 1.00 0.00 H new ATOM 0 HA TRP A 61 119.043 7.851 -0.965 1.00 0.00 H new ATOM 0 HB2 TRP A 61 121.458 8.018 -2.864 1.00 0.00 H new ATOM 0 HB3 TRP A 61 120.575 9.427 -2.311 1.00 0.00 H new ATOM 0 HD1 TRP A 61 123.613 7.842 -1.528 1.00 0.00 H new ATOM 0 HE1 TRP A 61 124.332 8.058 0.944 1.00 0.00 H new ATOM 0 HE3 TRP A 61 119.127 9.219 0.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 123.089 8.749 3.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 118.924 9.651 2.922 1.00 0.00 H new ATOM 0 HH2 TRP A 61 120.897 9.419 4.406 1.00 0.00 H new ATOM 1010 N LYS A 62 119.050 7.135 -4.170 1.00 0.00 N ATOM 1011 CA LYS A 62 118.175 7.229 -5.374 1.00 0.00 C ATOM 1012 C LYS A 62 116.802 6.626 -5.066 1.00 0.00 C ATOM 1013 O LYS A 62 115.778 7.184 -5.406 1.00 0.00 O ATOM 1014 CB LYS A 62 118.893 6.414 -6.449 1.00 0.00 C ATOM 1015 CG LYS A 62 119.641 7.358 -7.393 1.00 0.00 C ATOM 1016 CD LYS A 62 121.149 7.208 -7.176 1.00 0.00 C ATOM 1017 CE LYS A 62 121.899 7.862 -8.338 1.00 0.00 C ATOM 1018 NZ LYS A 62 122.049 6.784 -9.353 1.00 0.00 N ATOM 0 H LYS A 62 119.924 6.627 -4.305 1.00 0.00 H new ATOM 0 HA LYS A 62 118.009 8.259 -5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 62 119.592 5.717 -5.986 1.00 0.00 H new ATOM 0 HB3 LYS A 62 118.173 5.818 -7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 62 119.387 7.130 -8.428 1.00 0.00 H new ATOM 0 HG3 LYS A 62 119.337 8.389 -7.210 1.00 0.00 H new ATOM 0 HD2 LYS A 62 121.440 7.673 -6.234 1.00 0.00 H new ATOM 0 HD3 LYS A 62 121.414 6.153 -7.106 1.00 0.00 H new ATOM 0 HE2 LYS A 62 121.343 8.709 -8.740 1.00 0.00 H new ATOM 0 HE3 LYS A 62 122.870 8.241 -8.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 122.555 7.156 -10.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 122.588 5.994 -8.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 121.109 6.447 -9.644 1.00 0.00 H new ATOM 1032 N ARG A 63 116.775 5.491 -4.422 1.00 0.00 N ATOM 1033 CA ARG A 63 115.469 4.855 -4.088 1.00 0.00 C ATOM 1034 C ARG A 63 114.793 5.619 -2.948 1.00 0.00 C ATOM 1035 O ARG A 63 113.620 5.452 -2.682 1.00 0.00 O ATOM 1036 CB ARG A 63 115.820 3.434 -3.649 1.00 0.00 C ATOM 1037 CG ARG A 63 116.485 2.690 -4.810 1.00 0.00 C ATOM 1038 CD ARG A 63 115.467 2.488 -5.935 1.00 0.00 C ATOM 1039 NE ARG A 63 116.124 3.039 -7.152 1.00 0.00 N ATOM 1040 CZ ARG A 63 116.393 2.256 -8.160 1.00 0.00 C ATOM 1041 NH1 ARG A 63 117.307 1.331 -8.040 1.00 0.00 N ATOM 1042 NH2 ARG A 63 115.751 2.397 -9.286 1.00 0.00 N ATOM 0 H ARG A 63 117.600 4.977 -4.113 1.00 0.00 H new ATOM 0 HA ARG A 63 114.777 4.859 -4.930 1.00 0.00 H new ATOM 0 HB2 ARG A 63 116.490 3.463 -2.790 1.00 0.00 H new ATOM 0 HB3 ARG A 63 114.920 2.907 -3.333 1.00 0.00 H new ATOM 0 HG2 ARG A 63 117.341 3.257 -5.177 1.00 0.00 H new ATOM 0 HG3 ARG A 63 116.863 1.726 -4.470 1.00 0.00 H new ATOM 0 HD2 ARG A 63 115.223 1.433 -6.062 1.00 0.00 H new ATOM 0 HD3 ARG A 63 114.533 3.008 -5.721 1.00 0.00 H new ATOM 0 HE ARG A 63 116.364 4.029 -7.198 1.00 0.00 H new ATOM 0 HH11 ARG A 63 117.809 1.222 -7.159 1.00 0.00 H new ATOM 0 HH12 ARG A 63 117.519 0.718 -8.827 1.00 0.00 H new ATOM 0 HH21 ARG A 63 115.038 3.120 -9.379 1.00 0.00 H new ATOM 0 HH22 ARG A 63 115.962 1.784 -10.074 1.00 0.00 H new ATOM 1056 N LEU A 64 115.528 6.461 -2.274 1.00 0.00 N ATOM 1057 CA LEU A 64 114.935 7.241 -1.152 1.00 0.00 C ATOM 1058 C LEU A 64 114.257 8.505 -1.684 1.00 0.00 C ATOM 1059 O LEU A 64 113.428 9.100 -1.025 1.00 0.00 O ATOM 1060 CB LEU A 64 116.119 7.613 -0.260 1.00 0.00 C ATOM 1061 CG LEU A 64 116.274 6.567 0.843 1.00 0.00 C ATOM 1062 CD1 LEU A 64 117.519 6.879 1.673 1.00 0.00 C ATOM 1063 CD2 LEU A 64 115.038 6.597 1.745 1.00 0.00 C ATOM 0 H LEU A 64 116.516 6.642 -2.453 1.00 0.00 H new ATOM 0 HA LEU A 64 114.176 6.673 -0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 64 117.032 7.669 -0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 64 115.962 8.599 0.178 1.00 0.00 H new ATOM 0 HG LEU A 64 116.377 5.578 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 64 117.629 6.132 2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 64 118.399 6.861 1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.419 7.867 2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 64 115.145 5.852 2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 64 114.937 7.586 2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 64 114.150 6.374 1.153 1.00 0.00 H new ATOM 1075 N ASN A 65 114.605 8.922 -2.870 1.00 0.00 N ATOM 1076 CA ASN A 65 113.982 10.147 -3.438 1.00 0.00 C ATOM 1077 C ASN A 65 112.861 9.767 -4.407 1.00 0.00 C ATOM 1078 O ASN A 65 112.637 10.425 -5.403 1.00 0.00 O ATOM 1079 CB ASN A 65 115.111 10.866 -4.178 1.00 0.00 C ATOM 1080 CG ASN A 65 115.602 12.048 -3.339 1.00 0.00 C ATOM 1081 OD1 ASN A 65 116.790 12.272 -3.224 1.00 0.00 O ATOM 1082 ND2 ASN A 65 114.732 12.819 -2.745 1.00 0.00 N ATOM 0 H ASN A 65 115.294 8.467 -3.469 1.00 0.00 H new ATOM 0 HA ASN A 65 113.538 10.778 -2.668 1.00 0.00 H new ATOM 0 HB2 ASN A 65 115.933 10.175 -4.368 1.00 0.00 H new ATOM 0 HB3 ASN A 65 114.758 11.217 -5.148 1.00 0.00 H new ATOM 0 HD21 ASN A 65 115.050 13.610 -2.184 1.00 0.00 H new ATOM 0 HD22 ASN A 65 113.734 12.631 -2.842 1.00 0.00 H new ATOM 1161 N TRP A 71 106.185 4.635 -3.366 1.00 0.00 N ATOM 1162 CA TRP A 71 107.030 4.932 -2.175 1.00 0.00 C ATOM 1163 C TRP A 71 107.581 3.631 -1.582 1.00 0.00 C ATOM 1164 O TRP A 71 108.550 3.636 -0.849 1.00 0.00 O ATOM 1165 CB TRP A 71 106.088 5.619 -1.184 1.00 0.00 C ATOM 1166 CG TRP A 71 105.007 4.669 -0.779 1.00 0.00 C ATOM 1167 CD1 TRP A 71 103.715 4.746 -1.175 1.00 0.00 C ATOM 1168 CD2 TRP A 71 105.098 3.504 0.091 1.00 0.00 C ATOM 1169 NE1 TRP A 71 103.008 3.704 -0.602 1.00 0.00 N ATOM 1170 CE2 TRP A 71 103.817 2.911 0.186 1.00 0.00 C ATOM 1171 CE3 TRP A 71 106.158 2.911 0.801 1.00 0.00 C ATOM 1172 CZ2 TRP A 71 103.595 1.769 0.958 1.00 0.00 C ATOM 1173 CZ3 TRP A 71 105.938 1.761 1.578 1.00 0.00 C ATOM 1174 CH2 TRP A 71 104.660 1.192 1.656 1.00 0.00 C ATOM 0 HA TRP A 71 107.888 5.557 -2.421 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.644 5.948 -0.306 1.00 0.00 H new ATOM 0 HB3 TRP A 71 105.653 6.509 -1.638 1.00 0.00 H new ATOM 0 HD1 TRP A 71 103.303 5.498 -1.831 1.00 0.00 H new ATOM 0 HE1 TRP A 71 102.011 3.542 -0.745 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.147 3.342 0.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 102.608 1.335 1.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 106.759 1.313 2.118 1.00 0.00 H new ATOM 0 HH2 TRP A 71 104.498 0.308 2.255 1.00 0.00 H new ATOM 1185 N ARG A 72 106.972 2.519 -1.894 1.00 0.00 N ATOM 1186 CA ARG A 72 107.465 1.222 -1.348 1.00 0.00 C ATOM 1187 C ARG A 72 108.992 1.168 -1.417 1.00 0.00 C ATOM 1188 O ARG A 72 109.642 0.584 -0.572 1.00 0.00 O ATOM 1189 CB ARG A 72 106.849 0.151 -2.250 1.00 0.00 C ATOM 1190 CG ARG A 72 107.034 0.551 -3.716 1.00 0.00 C ATOM 1191 CD ARG A 72 106.699 -0.642 -4.615 1.00 0.00 C ATOM 1192 NE ARG A 72 107.841 -1.583 -4.449 1.00 0.00 N ATOM 1193 CZ ARG A 72 107.967 -2.606 -5.251 1.00 0.00 C ATOM 1194 NH1 ARG A 72 106.905 -3.209 -5.710 1.00 0.00 N ATOM 1195 NH2 ARG A 72 109.154 -3.024 -5.592 1.00 0.00 N ATOM 0 H ARG A 72 106.156 2.453 -2.502 1.00 0.00 H new ATOM 0 HA ARG A 72 107.188 1.082 -0.303 1.00 0.00 H new ATOM 0 HB2 ARG A 72 107.321 -0.813 -2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 72 105.789 0.036 -2.024 1.00 0.00 H new ATOM 0 HG2 ARG A 72 106.389 1.395 -3.958 1.00 0.00 H new ATOM 0 HG3 ARG A 72 108.060 0.874 -3.889 1.00 0.00 H new ATOM 0 HD2 ARG A 72 105.758 -1.107 -4.319 1.00 0.00 H new ATOM 0 HD3 ARG A 72 106.589 -0.334 -5.655 1.00 0.00 H new ATOM 0 HE ARG A 72 108.525 -1.429 -3.709 1.00 0.00 H new ATOM 0 HH11 ARG A 72 105.977 -2.881 -5.442 1.00 0.00 H new ATOM 0 HH12 ARG A 72 107.003 -4.008 -6.336 1.00 0.00 H new ATOM 0 HH21 ARG A 72 109.984 -2.552 -5.232 1.00 0.00 H new ATOM 0 HH22 ARG A 72 109.253 -3.823 -6.218 1.00 0.00 H new ATOM 1209 N HIS A 73 109.572 1.775 -2.416 1.00 0.00 N ATOM 1210 CA HIS A 73 111.058 1.762 -2.536 1.00 0.00 C ATOM 1211 C HIS A 73 111.680 2.591 -1.411 1.00 0.00 C ATOM 1212 O HIS A 73 112.592 2.155 -0.737 1.00 0.00 O ATOM 1213 CB HIS A 73 111.352 2.394 -3.896 1.00 0.00 C ATOM 1214 CG HIS A 73 111.734 1.320 -4.876 1.00 0.00 C ATOM 1215 ND1 HIS A 73 110.800 0.688 -5.682 1.00 0.00 N ATOM 1216 CD2 HIS A 73 112.945 0.756 -5.193 1.00 0.00 C ATOM 1217 CE1 HIS A 73 111.457 -0.210 -6.438 1.00 0.00 C ATOM 1218 NE2 HIS A 73 112.768 -0.210 -6.180 1.00 0.00 N ATOM 0 H HIS A 73 109.081 2.279 -3.154 1.00 0.00 H new ATOM 0 HA HIS A 73 111.473 0.757 -2.459 1.00 0.00 H new ATOM 0 HB2 HIS A 73 110.476 2.934 -4.255 1.00 0.00 H new ATOM 0 HB3 HIS A 73 112.159 3.121 -3.804 1.00 0.00 H new ATOM 0 HD2 HIS A 73 113.891 1.021 -4.745 1.00 0.00 H new ATOM 0 HE1 HIS A 73 110.983 -0.853 -7.165 1.00 0.00 H new ATOM 0 HE2 HIS A 73 113.485 -0.792 -6.613 1.00 0.00 H new ATOM 1226 N VAL A 74 111.192 3.782 -1.200 1.00 0.00 N ATOM 1227 CA VAL A 74 111.755 4.636 -0.116 1.00 0.00 C ATOM 1228 C VAL A 74 111.745 3.872 1.210 1.00 0.00 C ATOM 1229 O VAL A 74 112.742 3.791 1.900 1.00 0.00 O ATOM 1230 CB VAL A 74 110.829 5.848 -0.044 1.00 0.00 C ATOM 1231 CG1 VAL A 74 111.207 6.704 1.166 1.00 0.00 C ATOM 1232 CG2 VAL A 74 110.977 6.678 -1.321 1.00 0.00 C ATOM 0 H VAL A 74 110.428 4.201 -1.731 1.00 0.00 H new ATOM 0 HA VAL A 74 112.788 4.926 -0.310 1.00 0.00 H new ATOM 0 HB VAL A 74 109.796 5.513 0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 74 110.547 7.570 1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 74 111.104 6.113 2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 74 112.239 7.040 1.066 1.00 0.00 H new ATOM 0 HG21 VAL A 74 110.316 7.544 -1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 74 112.009 7.014 -1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 74 110.711 6.068 -2.184 1.00 0.00 H new ATOM 1242 N TYR A 75 110.624 3.309 1.572 1.00 0.00 N ATOM 1243 CA TYR A 75 110.551 2.548 2.852 1.00 0.00 C ATOM 1244 C TYR A 75 111.702 1.540 2.928 1.00 0.00 C ATOM 1245 O TYR A 75 112.517 1.577 3.829 1.00 0.00 O ATOM 1246 CB TYR A 75 109.206 1.824 2.804 1.00 0.00 C ATOM 1247 CG TYR A 75 108.750 1.504 4.207 1.00 0.00 C ATOM 1248 CD1 TYR A 75 108.844 2.473 5.213 1.00 0.00 C ATOM 1249 CD2 TYR A 75 108.234 0.236 4.502 1.00 0.00 C ATOM 1250 CE1 TYR A 75 108.420 2.174 6.514 1.00 0.00 C ATOM 1251 CE2 TYR A 75 107.811 -0.063 5.802 1.00 0.00 C ATOM 1252 CZ TYR A 75 107.904 0.906 6.809 1.00 0.00 C ATOM 1253 OH TYR A 75 107.486 0.613 8.090 1.00 0.00 O ATOM 0 H TYR A 75 109.756 3.343 1.037 1.00 0.00 H new ATOM 0 HA TYR A 75 110.634 3.194 3.726 1.00 0.00 H new ATOM 0 HB2 TYR A 75 108.465 2.447 2.303 1.00 0.00 H new ATOM 0 HB3 TYR A 75 109.297 0.906 2.223 1.00 0.00 H new ATOM 0 HD1 TYR A 75 109.243 3.451 4.986 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.162 -0.512 3.726 1.00 0.00 H new ATOM 0 HE1 TYR A 75 108.491 2.922 7.290 1.00 0.00 H new ATOM 0 HE2 TYR A 75 107.413 -1.041 6.029 1.00 0.00 H new ATOM 0 HH TYR A 75 107.154 -0.309 8.123 1.00 0.00 H new ATOM 1263 N LYS A 76 111.775 0.644 1.983 1.00 0.00 N ATOM 1264 CA LYS A 76 112.872 -0.364 1.995 1.00 0.00 C ATOM 1265 C LYS A 76 114.232 0.339 2.016 1.00 0.00 C ATOM 1266 O LYS A 76 115.217 -0.206 2.472 1.00 0.00 O ATOM 1267 CB LYS A 76 112.699 -1.151 0.695 1.00 0.00 C ATOM 1268 CG LYS A 76 111.935 -2.446 0.979 1.00 0.00 C ATOM 1269 CD LYS A 76 112.048 -3.380 -0.228 1.00 0.00 C ATOM 1270 CE LYS A 76 110.660 -3.905 -0.600 1.00 0.00 C ATOM 1271 NZ LYS A 76 110.884 -5.318 -1.014 1.00 0.00 N ATOM 0 H LYS A 76 111.122 0.566 1.203 1.00 0.00 H new ATOM 0 HA LYS A 76 112.832 -1.010 2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 76 112.158 -0.551 -0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 76 113.674 -1.379 0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 76 112.339 -2.932 1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 76 110.888 -2.225 1.185 1.00 0.00 H new ATOM 0 HD2 LYS A 76 112.486 -2.848 -1.073 1.00 0.00 H new ATOM 0 HD3 LYS A 76 112.713 -4.212 0.004 1.00 0.00 H new ATOM 0 HE2 LYS A 76 109.975 -3.845 0.246 1.00 0.00 H new ATOM 0 HE3 LYS A 76 110.220 -3.321 -1.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 109.977 -5.748 -1.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 111.535 -5.343 -1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 111.297 -5.851 -0.222 1.00 0.00 H new ATOM 1285 N ALA A 77 114.292 1.548 1.525 1.00 0.00 N ATOM 1286 CA ALA A 77 115.588 2.284 1.516 1.00 0.00 C ATOM 1287 C ALA A 77 115.940 2.752 2.930 1.00 0.00 C ATOM 1288 O ALA A 77 117.093 2.798 3.310 1.00 0.00 O ATOM 1289 CB ALA A 77 115.355 3.483 0.596 1.00 0.00 C ATOM 0 H ALA A 77 113.501 2.056 1.131 1.00 0.00 H new ATOM 0 HA ALA A 77 116.415 1.662 1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 77 116.266 4.078 0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 77 115.085 3.131 -0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 77 114.547 4.096 0.995 1.00 0.00 H new ATOM 1295 N MET A 78 114.955 3.097 3.710 1.00 0.00 N ATOM 1296 CA MET A 78 115.232 3.558 5.099 1.00 0.00 C ATOM 1297 C MET A 78 115.818 2.412 5.924 1.00 0.00 C ATOM 1298 O MET A 78 116.655 2.613 6.781 1.00 0.00 O ATOM 1299 CB MET A 78 113.871 3.979 5.657 1.00 0.00 C ATOM 1300 CG MET A 78 113.727 5.498 5.561 1.00 0.00 C ATOM 1301 SD MET A 78 113.074 5.939 3.932 1.00 0.00 S ATOM 1302 CE MET A 78 111.354 6.183 4.439 1.00 0.00 C ATOM 0 H MET A 78 113.970 3.080 3.446 1.00 0.00 H new ATOM 0 HA MET A 78 115.953 4.375 5.128 1.00 0.00 H new ATOM 0 HB2 MET A 78 113.071 3.491 5.100 1.00 0.00 H new ATOM 0 HB3 MET A 78 113.777 3.659 6.695 1.00 0.00 H new ATOM 0 HG2 MET A 78 113.060 5.861 6.343 1.00 0.00 H new ATOM 0 HG3 MET A 78 114.693 5.977 5.719 1.00 0.00 H new ATOM 0 HE1 MET A 78 110.914 6.993 3.857 1.00 0.00 H new ATOM 0 HE2 MET A 78 110.791 5.266 4.268 1.00 0.00 H new ATOM 0 HE3 MET A 78 111.320 6.438 5.498 1.00 0.00 H new ATOM 1312 N THR A 79 115.383 1.209 5.670 1.00 0.00 N ATOM 1313 CA THR A 79 115.914 0.048 6.439 1.00 0.00 C ATOM 1314 C THR A 79 117.382 -0.192 6.091 1.00 0.00 C ATOM 1315 O THR A 79 118.245 -0.144 6.941 1.00 0.00 O ATOM 1316 CB THR A 79 115.055 -1.141 6.005 1.00 0.00 C ATOM 1317 OG1 THR A 79 113.684 -0.830 6.207 1.00 0.00 O ATOM 1318 CG2 THR A 79 115.428 -2.373 6.831 1.00 0.00 C ATOM 0 H THR A 79 114.684 0.979 4.964 1.00 0.00 H new ATOM 0 HA THR A 79 115.869 0.211 7.516 1.00 0.00 H new ATOM 0 HB THR A 79 115.230 -1.349 4.949 1.00 0.00 H new ATOM 0 HG1 THR A 79 113.132 -1.590 5.928 1.00 0.00 H new ATOM 0 HG21 THR A 79 114.815 -3.219 6.520 1.00 0.00 H new ATOM 0 HG22 THR A 79 116.480 -2.611 6.675 1.00 0.00 H new ATOM 0 HG23 THR A 79 115.255 -2.169 7.888 1.00 0.00 H new ATOM 1326 N LEU A 80 117.670 -0.449 4.850 1.00 0.00 N ATOM 1327 CA LEU A 80 119.086 -0.691 4.449 1.00 0.00 C ATOM 1328 C LEU A 80 119.997 0.388 5.039 1.00 0.00 C ATOM 1329 O LEU A 80 120.958 0.094 5.719 1.00 0.00 O ATOM 1330 CB LEU A 80 119.090 -0.618 2.925 1.00 0.00 C ATOM 1331 CG LEU A 80 120.477 -1.004 2.412 1.00 0.00 C ATOM 1332 CD1 LEU A 80 120.883 -2.354 3.007 1.00 0.00 C ATOM 1333 CD2 LEU A 80 120.447 -1.107 0.886 1.00 0.00 C ATOM 0 H LEU A 80 116.989 -0.503 4.093 1.00 0.00 H new ATOM 0 HA LEU A 80 119.455 -1.651 4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 80 118.336 -1.290 2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 80 118.834 0.389 2.596 1.00 0.00 H new ATOM 0 HG LEU A 80 121.199 -0.244 2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 80 121.872 -2.630 2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 80 120.905 -2.280 4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 80 120.161 -3.115 2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 80 121.436 -1.382 0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 80 119.725 -1.867 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 80 120.158 -0.145 0.462 1.00 0.00 H new ATOM 1345 N MET A 81 119.708 1.633 4.784 1.00 0.00 N ATOM 1346 CA MET A 81 120.567 2.720 5.333 1.00 0.00 C ATOM 1347 C MET A 81 120.760 2.534 6.841 1.00 0.00 C ATOM 1348 O MET A 81 121.809 2.818 7.380 1.00 0.00 O ATOM 1349 CB MET A 81 119.811 4.016 5.040 1.00 0.00 C ATOM 1350 CG MET A 81 120.545 5.191 5.690 1.00 0.00 C ATOM 1351 SD MET A 81 121.450 6.114 4.422 1.00 0.00 S ATOM 1352 CE MET A 81 122.336 7.227 5.540 1.00 0.00 C ATOM 0 H MET A 81 118.917 1.945 4.221 1.00 0.00 H new ATOM 0 HA MET A 81 121.561 2.723 4.886 1.00 0.00 H new ATOM 0 HB2 MET A 81 119.736 4.171 3.964 1.00 0.00 H new ATOM 0 HB3 MET A 81 118.793 3.951 5.425 1.00 0.00 H new ATOM 0 HG2 MET A 81 119.833 5.845 6.192 1.00 0.00 H new ATOM 0 HG3 MET A 81 121.235 4.826 6.451 1.00 0.00 H new ATOM 0 HE1 MET A 81 123.185 7.668 5.017 1.00 0.00 H new ATOM 0 HE2 MET A 81 121.664 8.018 5.874 1.00 0.00 H new ATOM 0 HE3 MET A 81 122.694 6.666 6.404 1.00 0.00 H new ATOM 1362 N GLU A 82 119.756 2.061 7.525 1.00 0.00 N ATOM 1363 CA GLU A 82 119.886 1.863 8.999 1.00 0.00 C ATOM 1364 C GLU A 82 120.818 0.684 9.300 1.00 0.00 C ATOM 1365 O GLU A 82 121.875 0.846 9.879 1.00 0.00 O ATOM 1366 CB GLU A 82 118.469 1.560 9.484 1.00 0.00 C ATOM 1367 CG GLU A 82 118.493 1.284 10.989 1.00 0.00 C ATOM 1368 CD GLU A 82 117.066 1.311 11.538 1.00 0.00 C ATOM 1369 OE1 GLU A 82 116.448 2.362 11.476 1.00 0.00 O ATOM 1370 OE2 GLU A 82 116.614 0.281 12.010 1.00 0.00 O ATOM 0 H GLU A 82 118.852 1.803 7.130 1.00 0.00 H new ATOM 0 HA GLU A 82 120.311 2.736 9.494 1.00 0.00 H new ATOM 0 HB2 GLU A 82 117.811 2.402 9.268 1.00 0.00 H new ATOM 0 HB3 GLU A 82 118.068 0.698 8.952 1.00 0.00 H new ATOM 0 HG2 GLU A 82 118.950 0.314 11.184 1.00 0.00 H new ATOM 0 HG3 GLU A 82 119.103 2.031 11.496 1.00 0.00 H new ATOM 1377 N TYR A 83 120.430 -0.502 8.921 1.00 0.00 N ATOM 1378 CA TYR A 83 121.281 -1.697 9.186 1.00 0.00 C ATOM 1379 C TYR A 83 122.751 -1.404 8.869 1.00 0.00 C ATOM 1380 O TYR A 83 123.646 -1.859 9.555 1.00 0.00 O ATOM 1381 CB TYR A 83 120.739 -2.774 8.245 1.00 0.00 C ATOM 1382 CG TYR A 83 121.351 -4.105 8.601 1.00 0.00 C ATOM 1383 CD1 TYR A 83 122.553 -4.501 8.004 1.00 0.00 C ATOM 1384 CD2 TYR A 83 120.719 -4.939 9.529 1.00 0.00 C ATOM 1385 CE1 TYR A 83 123.124 -5.735 8.335 1.00 0.00 C ATOM 1386 CE2 TYR A 83 121.290 -6.175 9.861 1.00 0.00 C ATOM 1387 CZ TYR A 83 122.492 -6.572 9.263 1.00 0.00 C ATOM 1388 OH TYR A 83 123.055 -7.790 9.589 1.00 0.00 O ATOM 0 H TYR A 83 119.554 -0.696 8.436 1.00 0.00 H new ATOM 0 HA TYR A 83 121.245 -1.999 10.233 1.00 0.00 H new ATOM 0 HB2 TYR A 83 119.653 -2.828 8.324 1.00 0.00 H new ATOM 0 HB3 TYR A 83 120.972 -2.519 7.211 1.00 0.00 H new ATOM 0 HD1 TYR A 83 123.040 -3.855 7.288 1.00 0.00 H new ATOM 0 HD2 TYR A 83 119.792 -4.631 9.989 1.00 0.00 H new ATOM 0 HE1 TYR A 83 124.052 -6.042 7.875 1.00 0.00 H new ATOM 0 HE2 TYR A 83 120.803 -6.820 10.577 1.00 0.00 H new ATOM 0 HH TYR A 83 122.490 -8.245 10.248 1.00 0.00 H new ATOM 1398 N LEU A 84 123.010 -0.661 7.829 1.00 0.00 N ATOM 1399 CA LEU A 84 124.425 -0.355 7.462 1.00 0.00 C ATOM 1400 C LEU A 84 125.006 0.719 8.388 1.00 0.00 C ATOM 1401 O LEU A 84 126.177 0.699 8.712 1.00 0.00 O ATOM 1402 CB LEU A 84 124.353 0.141 6.018 1.00 0.00 C ATOM 1403 CG LEU A 84 123.646 -0.907 5.157 1.00 0.00 C ATOM 1404 CD1 LEU A 84 123.490 -0.383 3.729 1.00 0.00 C ATOM 1405 CD2 LEU A 84 124.473 -2.196 5.139 1.00 0.00 C ATOM 0 H LEU A 84 122.305 -0.252 7.216 1.00 0.00 H new ATOM 0 HA LEU A 84 125.076 -1.223 7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 84 123.815 1.088 5.973 1.00 0.00 H new ATOM 0 HB3 LEU A 84 125.356 0.326 5.635 1.00 0.00 H new ATOM 0 HG LEU A 84 122.661 -1.111 5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 84 122.986 -1.133 3.119 1.00 0.00 H new ATOM 0 HD12 LEU A 84 122.899 0.533 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 84 124.474 -0.175 3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 84 123.969 -2.943 4.525 1.00 0.00 H new ATOM 0 HD22 LEU A 84 125.459 -1.990 4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 84 124.580 -2.574 6.156 1.00 0.00 H new ATOM 1417 N ILE A 85 124.207 1.656 8.819 1.00 0.00 N ATOM 1418 CA ILE A 85 124.735 2.717 9.726 1.00 0.00 C ATOM 1419 C ILE A 85 125.484 2.070 10.899 1.00 0.00 C ATOM 1420 O ILE A 85 126.306 2.692 11.541 1.00 0.00 O ATOM 1421 CB ILE A 85 123.497 3.480 10.213 1.00 0.00 C ATOM 1422 CG1 ILE A 85 123.122 4.545 9.178 1.00 0.00 C ATOM 1423 CG2 ILE A 85 123.793 4.164 11.551 1.00 0.00 C ATOM 1424 CD1 ILE A 85 121.676 4.993 9.404 1.00 0.00 C ATOM 0 H ILE A 85 123.217 1.734 8.585 1.00 0.00 H new ATOM 0 HA ILE A 85 125.441 3.383 9.229 1.00 0.00 H new ATOM 0 HB ILE A 85 122.674 2.778 10.343 1.00 0.00 H new ATOM 0 HG12 ILE A 85 123.795 5.399 9.259 1.00 0.00 H new ATOM 0 HG13 ILE A 85 123.236 4.144 8.171 1.00 0.00 H new ATOM 0 HG21 ILE A 85 122.907 4.703 11.888 1.00 0.00 H new ATOM 0 HG22 ILE A 85 124.064 3.412 12.292 1.00 0.00 H new ATOM 0 HG23 ILE A 85 124.619 4.865 11.427 1.00 0.00 H new ATOM 0 HD11 ILE A 85 121.410 5.751 8.667 1.00 0.00 H new ATOM 0 HD12 ILE A 85 121.009 4.137 9.300 1.00 0.00 H new ATOM 0 HD13 ILE A 85 121.577 5.411 10.406 1.00 0.00 H new ATOM 1436 N LYS A 86 125.206 0.825 11.180 1.00 0.00 N ATOM 1437 CA LYS A 86 125.902 0.140 12.307 1.00 0.00 C ATOM 1438 C LYS A 86 126.777 -0.999 11.773 1.00 0.00 C ATOM 1439 O LYS A 86 127.982 -0.874 11.674 1.00 0.00 O ATOM 1440 CB LYS A 86 124.781 -0.414 13.187 1.00 0.00 C ATOM 1441 CG LYS A 86 124.498 0.565 14.328 1.00 0.00 C ATOM 1442 CD LYS A 86 125.146 0.051 15.615 1.00 0.00 C ATOM 1443 CE LYS A 86 124.080 -0.592 16.505 1.00 0.00 C ATOM 1444 NZ LYS A 86 123.794 0.423 17.556 1.00 0.00 N ATOM 0 H LYS A 86 124.527 0.253 10.678 1.00 0.00 H new ATOM 0 HA LYS A 86 126.558 0.814 12.858 1.00 0.00 H new ATOM 0 HB2 LYS A 86 123.880 -0.567 12.593 1.00 0.00 H new ATOM 0 HB3 LYS A 86 125.067 -1.386 13.590 1.00 0.00 H new ATOM 0 HG2 LYS A 86 124.890 1.552 14.080 1.00 0.00 H new ATOM 0 HG3 LYS A 86 123.423 0.675 14.469 1.00 0.00 H new ATOM 0 HD2 LYS A 86 125.923 -0.676 15.378 1.00 0.00 H new ATOM 0 HD3 LYS A 86 125.629 0.872 16.144 1.00 0.00 H new ATOM 0 HE2 LYS A 86 123.183 -0.834 15.935 1.00 0.00 H new ATOM 0 HE3 LYS A 86 124.440 -1.523 16.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 123.071 0.055 18.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 124.665 0.628 18.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 123.447 1.296 17.110 1.00 0.00 H new ATOM 1458 N THR A 87 126.181 -2.108 11.430 1.00 0.00 N ATOM 1459 CA THR A 87 126.978 -3.253 10.903 1.00 0.00 C ATOM 1460 C THR A 87 127.684 -2.851 9.604 1.00 0.00 C ATOM 1461 O THR A 87 128.576 -3.529 9.135 1.00 0.00 O ATOM 1462 CB THR A 87 125.957 -4.361 10.639 1.00 0.00 C ATOM 1463 OG1 THR A 87 126.640 -5.577 10.372 1.00 0.00 O ATOM 1464 CG2 THR A 87 125.089 -3.984 9.437 1.00 0.00 C ATOM 0 H THR A 87 125.176 -2.271 11.492 1.00 0.00 H new ATOM 0 HA THR A 87 127.753 -3.573 11.600 1.00 0.00 H new ATOM 0 HB THR A 87 125.321 -4.486 11.516 1.00 0.00 H new ATOM 0 HG1 THR A 87 125.987 -6.289 10.204 1.00 0.00 H new ATOM 0 HG21 THR A 87 124.362 -4.775 9.251 1.00 0.00 H new ATOM 0 HG22 THR A 87 124.565 -3.051 9.645 1.00 0.00 H new ATOM 0 HG23 THR A 87 125.721 -3.857 8.558 1.00 0.00 H new ATOM 1472 N GLY A 88 127.290 -1.752 9.022 1.00 0.00 N ATOM 1473 CA GLY A 88 127.937 -1.300 7.755 1.00 0.00 C ATOM 1474 C GLY A 88 129.145 -0.418 8.082 1.00 0.00 C ATOM 1475 O GLY A 88 129.491 0.479 7.340 1.00 0.00 O ATOM 0 H GLY A 88 126.547 -1.146 9.369 1.00 0.00 H new ATOM 0 HA2 GLY A 88 128.252 -2.163 7.168 1.00 0.00 H new ATOM 0 HA3 GLY A 88 127.222 -0.745 7.148 1.00 0.00 H new ATOM 1479 N SER A 89 129.790 -0.670 9.189 1.00 0.00 N ATOM 1480 CA SER A 89 130.979 0.147 9.575 1.00 0.00 C ATOM 1481 C SER A 89 130.546 1.552 10.003 1.00 0.00 C ATOM 1482 O SER A 89 129.490 2.027 9.637 1.00 0.00 O ATOM 1483 CB SER A 89 131.852 0.212 8.322 1.00 0.00 C ATOM 1484 OG SER A 89 133.183 -0.158 8.659 1.00 0.00 O ATOM 0 H SER A 89 129.544 -1.410 9.846 1.00 0.00 H new ATOM 0 HA SER A 89 131.515 -0.289 10.418 1.00 0.00 H new ATOM 0 HB2 SER A 89 131.459 -0.456 7.556 1.00 0.00 H new ATOM 0 HB3 SER A 89 131.836 1.219 7.905 1.00 0.00 H new ATOM 0 HG SER A 89 133.247 -1.134 8.713 1.00 0.00 H new ATOM 1490 N GLU A 90 131.358 2.216 10.779 1.00 0.00 N ATOM 1491 CA GLU A 90 131.004 3.591 11.236 1.00 0.00 C ATOM 1492 C GLU A 90 130.994 4.562 10.054 1.00 0.00 C ATOM 1493 O GLU A 90 130.606 5.706 10.180 1.00 0.00 O ATOM 1494 CB GLU A 90 132.109 3.969 12.221 1.00 0.00 C ATOM 1495 CG GLU A 90 131.846 3.296 13.570 1.00 0.00 C ATOM 1496 CD GLU A 90 133.155 2.730 14.123 1.00 0.00 C ATOM 1497 OE1 GLU A 90 134.171 2.895 13.470 1.00 0.00 O ATOM 1498 OE2 GLU A 90 133.119 2.142 15.191 1.00 0.00 O ATOM 0 H GLU A 90 132.254 1.865 11.117 1.00 0.00 H new ATOM 0 HA GLU A 90 130.013 3.632 11.687 1.00 0.00 H new ATOM 0 HB2 GLU A 90 133.079 3.659 11.832 1.00 0.00 H new ATOM 0 HB3 GLU A 90 132.146 5.051 12.344 1.00 0.00 H new ATOM 0 HG2 GLU A 90 131.424 4.016 14.271 1.00 0.00 H new ATOM 0 HG3 GLU A 90 131.113 2.498 13.453 1.00 0.00 H new ATOM 1505 N ARG A 91 131.418 4.115 8.906 1.00 0.00 N ATOM 1506 CA ARG A 91 131.434 5.013 7.716 1.00 0.00 C ATOM 1507 C ARG A 91 130.006 5.237 7.220 1.00 0.00 C ATOM 1508 O ARG A 91 129.632 6.331 6.844 1.00 0.00 O ATOM 1509 CB ARG A 91 132.258 4.270 6.664 1.00 0.00 C ATOM 1510 CG ARG A 91 133.609 3.870 7.263 1.00 0.00 C ATOM 1511 CD ARG A 91 134.591 5.036 7.135 1.00 0.00 C ATOM 1512 NE ARG A 91 135.817 4.584 7.849 1.00 0.00 N ATOM 1513 CZ ARG A 91 136.906 5.301 7.792 1.00 0.00 C ATOM 1514 NH1 ARG A 91 136.828 6.601 7.719 1.00 0.00 N ATOM 1515 NH2 ARG A 91 138.074 4.716 7.809 1.00 0.00 N ATOM 0 H ARG A 91 131.754 3.167 8.739 1.00 0.00 H new ATOM 0 HA ARG A 91 131.857 5.993 7.939 1.00 0.00 H new ATOM 0 HB2 ARG A 91 131.721 3.384 6.326 1.00 0.00 H new ATOM 0 HB3 ARG A 91 132.409 4.904 5.790 1.00 0.00 H new ATOM 0 HG2 ARG A 91 133.487 3.597 8.311 1.00 0.00 H new ATOM 0 HG3 ARG A 91 134.001 2.993 6.749 1.00 0.00 H new ATOM 0 HD2 ARG A 91 134.803 5.261 6.090 1.00 0.00 H new ATOM 0 HD3 ARG A 91 134.186 5.944 7.581 1.00 0.00 H new ATOM 0 HE ARG A 91 135.806 3.715 8.382 1.00 0.00 H new ATOM 0 HH11 ARG A 91 135.916 7.057 7.706 1.00 0.00 H new ATOM 0 HH12 ARG A 91 137.679 7.161 7.674 1.00 0.00 H new ATOM 0 HH21 ARG A 91 138.134 3.699 7.867 1.00 0.00 H new ATOM 0 HH22 ARG A 91 138.925 5.276 7.764 1.00 0.00 H new ATOM 1529 N VAL A 92 129.204 4.211 7.221 1.00 0.00 N ATOM 1530 CA VAL A 92 127.800 4.366 6.757 1.00 0.00 C ATOM 1531 C VAL A 92 127.068 5.375 7.644 1.00 0.00 C ATOM 1532 O VAL A 92 126.235 6.132 7.186 1.00 0.00 O ATOM 1533 CB VAL A 92 127.184 2.975 6.893 1.00 0.00 C ATOM 1534 CG1 VAL A 92 125.708 3.034 6.492 1.00 0.00 C ATOM 1535 CG2 VAL A 92 127.921 1.992 5.977 1.00 0.00 C ATOM 0 H VAL A 92 129.461 3.271 7.523 1.00 0.00 H new ATOM 0 HA VAL A 92 127.735 4.737 5.734 1.00 0.00 H new ATOM 0 HB VAL A 92 127.271 2.640 7.926 1.00 0.00 H new ATOM 0 HG11 VAL A 92 125.265 2.043 6.588 1.00 0.00 H new ATOM 0 HG12 VAL A 92 125.182 3.731 7.144 1.00 0.00 H new ATOM 0 HG13 VAL A 92 125.625 3.370 5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 92 127.479 1.001 6.077 1.00 0.00 H new ATOM 0 HG22 VAL A 92 127.836 2.325 4.943 1.00 0.00 H new ATOM 0 HG23 VAL A 92 128.973 1.950 6.259 1.00 0.00 H new ATOM 1545 N SER A 93 127.378 5.399 8.912 1.00 0.00 N ATOM 1546 CA SER A 93 126.707 6.368 9.825 1.00 0.00 C ATOM 1547 C SER A 93 127.281 7.768 9.602 1.00 0.00 C ATOM 1548 O SER A 93 126.557 8.741 9.529 1.00 0.00 O ATOM 1549 CB SER A 93 127.026 5.872 11.234 1.00 0.00 C ATOM 1550 OG SER A 93 126.139 6.485 12.159 1.00 0.00 O ATOM 0 H SER A 93 128.066 4.790 9.355 1.00 0.00 H new ATOM 0 HA SER A 93 125.632 6.430 9.654 1.00 0.00 H new ATOM 0 HB2 SER A 93 126.927 4.788 11.281 1.00 0.00 H new ATOM 0 HB3 SER A 93 128.058 6.109 11.491 1.00 0.00 H new ATOM 0 HG SER A 93 126.340 6.168 13.064 1.00 0.00 H new ATOM 1556 N GLN A 94 128.576 7.877 9.486 1.00 0.00 N ATOM 1557 CA GLN A 94 129.188 9.217 9.259 1.00 0.00 C ATOM 1558 C GLN A 94 128.589 9.848 8.003 1.00 0.00 C ATOM 1559 O GLN A 94 128.349 11.038 7.946 1.00 0.00 O ATOM 1560 CB GLN A 94 130.682 8.947 9.072 1.00 0.00 C ATOM 1561 CG GLN A 94 131.323 8.654 10.430 1.00 0.00 C ATOM 1562 CD GLN A 94 131.524 9.965 11.193 1.00 0.00 C ATOM 1563 OE1 GLN A 94 130.764 10.900 11.030 1.00 0.00 O ATOM 1564 NE2 GLN A 94 132.524 10.075 12.026 1.00 0.00 N ATOM 0 H GLN A 94 129.235 7.100 9.538 1.00 0.00 H new ATOM 0 HA GLN A 94 129.007 9.907 10.083 1.00 0.00 H new ATOM 0 HB2 GLN A 94 130.828 8.102 8.399 1.00 0.00 H new ATOM 0 HB3 GLN A 94 131.163 9.809 8.610 1.00 0.00 H new ATOM 0 HG2 GLN A 94 130.689 7.980 11.005 1.00 0.00 H new ATOM 0 HG3 GLN A 94 132.280 8.151 10.291 1.00 0.00 H new ATOM 0 HE21 GLN A 94 133.162 9.291 12.163 1.00 0.00 H new ATOM 0 HE22 GLN A 94 132.667 10.945 12.539 1.00 0.00 H new ATOM 1573 N GLN A 95 128.332 9.056 7.001 1.00 0.00 N ATOM 1574 CA GLN A 95 127.731 9.607 5.753 1.00 0.00 C ATOM 1575 C GLN A 95 126.327 10.127 6.056 1.00 0.00 C ATOM 1576 O GLN A 95 125.930 11.179 5.597 1.00 0.00 O ATOM 1577 CB GLN A 95 127.673 8.427 4.782 1.00 0.00 C ATOM 1578 CG GLN A 95 127.013 8.873 3.476 1.00 0.00 C ATOM 1579 CD GLN A 95 127.881 9.938 2.803 1.00 0.00 C ATOM 1580 OE1 GLN A 95 127.572 11.112 2.853 1.00 0.00 O ATOM 1581 NE2 GLN A 95 128.963 9.575 2.170 1.00 0.00 N ATOM 0 H GLN A 95 128.511 8.052 6.991 1.00 0.00 H new ATOM 0 HA GLN A 95 128.304 10.436 5.338 1.00 0.00 H new ATOM 0 HB2 GLN A 95 128.678 8.055 4.585 1.00 0.00 H new ATOM 0 HB3 GLN A 95 127.110 7.605 5.225 1.00 0.00 H new ATOM 0 HG2 GLN A 95 126.885 8.019 2.811 1.00 0.00 H new ATOM 0 HG3 GLN A 95 126.019 9.272 3.676 1.00 0.00 H new ATOM 0 HE21 GLN A 95 129.223 8.590 2.128 1.00 0.00 H new ATOM 0 HE22 GLN A 95 129.549 10.277 1.718 1.00 0.00 H new ATOM 1590 N CYS A 96 125.576 9.402 6.841 1.00 0.00 N ATOM 1591 CA CYS A 96 124.204 9.864 7.187 1.00 0.00 C ATOM 1592 C CYS A 96 124.279 11.277 7.763 1.00 0.00 C ATOM 1593 O CYS A 96 123.483 12.136 7.439 1.00 0.00 O ATOM 1594 CB CYS A 96 123.701 8.876 8.239 1.00 0.00 C ATOM 1595 SG CYS A 96 121.891 8.879 8.252 1.00 0.00 S ATOM 0 H CYS A 96 125.854 8.512 7.256 1.00 0.00 H new ATOM 0 HA CYS A 96 123.539 9.897 6.324 1.00 0.00 H new ATOM 0 HB2 CYS A 96 124.072 7.875 8.020 1.00 0.00 H new ATOM 0 HB3 CYS A 96 124.083 9.150 9.223 1.00 0.00 H new ATOM 0 HG CYS A 96 121.464 9.840 9.017 1.00 0.00 H new ATOM 1601 N LYS A 97 125.242 11.524 8.604 1.00 0.00 N ATOM 1602 CA LYS A 97 125.385 12.886 9.193 1.00 0.00 C ATOM 1603 C LYS A 97 125.739 13.882 8.087 1.00 0.00 C ATOM 1604 O LYS A 97 125.329 15.026 8.107 1.00 0.00 O ATOM 1605 CB LYS A 97 126.528 12.771 10.201 1.00 0.00 C ATOM 1606 CG LYS A 97 126.014 13.126 11.598 1.00 0.00 C ATOM 1607 CD LYS A 97 125.135 11.990 12.123 1.00 0.00 C ATOM 1608 CE LYS A 97 125.236 11.931 13.648 1.00 0.00 C ATOM 1609 NZ LYS A 97 126.642 11.521 13.925 1.00 0.00 N ATOM 0 H LYS A 97 125.937 10.843 8.910 1.00 0.00 H new ATOM 0 HA LYS A 97 124.469 13.236 9.668 1.00 0.00 H new ATOM 0 HB2 LYS A 97 126.930 11.758 10.197 1.00 0.00 H new ATOM 0 HB3 LYS A 97 127.343 13.439 9.921 1.00 0.00 H new ATOM 0 HG2 LYS A 97 126.853 13.293 12.274 1.00 0.00 H new ATOM 0 HG3 LYS A 97 125.444 14.054 11.562 1.00 0.00 H new ATOM 0 HD2 LYS A 97 124.099 12.148 11.822 1.00 0.00 H new ATOM 0 HD3 LYS A 97 125.451 11.041 11.690 1.00 0.00 H new ATOM 0 HE2 LYS A 97 125.011 12.899 14.096 1.00 0.00 H new ATOM 0 HE3 LYS A 97 124.527 11.215 14.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 126.659 10.858 14.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 127.041 11.057 13.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 127.209 12.361 14.159 1.00 0.00 H new ATOM 1623 N GLU A 98 126.491 13.444 7.116 1.00 0.00 N ATOM 1624 CA GLU A 98 126.870 14.347 5.995 1.00 0.00 C ATOM 1625 C GLU A 98 125.703 14.468 5.013 1.00 0.00 C ATOM 1626 O GLU A 98 125.679 15.332 4.159 1.00 0.00 O ATOM 1627 CB GLU A 98 128.067 13.667 5.330 1.00 0.00 C ATOM 1628 CG GLU A 98 129.156 13.422 6.375 1.00 0.00 C ATOM 1629 CD GLU A 98 130.399 14.238 6.019 1.00 0.00 C ATOM 1630 OE1 GLU A 98 131.017 13.932 5.013 1.00 0.00 O ATOM 1631 OE2 GLU A 98 130.711 15.158 6.758 1.00 0.00 O ATOM 0 H GLU A 98 126.861 12.496 7.051 1.00 0.00 H new ATOM 0 HA GLU A 98 127.113 15.355 6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 98 127.760 12.723 4.881 1.00 0.00 H new ATOM 0 HB3 GLU A 98 128.454 14.292 4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 98 128.795 13.703 7.364 1.00 0.00 H new ATOM 0 HG3 GLU A 98 129.404 12.361 6.415 1.00 0.00 H new ATOM 1638 N ASN A 99 124.733 13.604 5.135 1.00 0.00 N ATOM 1639 CA ASN A 99 123.560 13.657 4.222 1.00 0.00 C ATOM 1640 C ASN A 99 122.265 13.511 5.024 1.00 0.00 C ATOM 1641 O ASN A 99 121.308 12.914 4.573 1.00 0.00 O ATOM 1642 CB ASN A 99 123.741 12.472 3.272 1.00 0.00 C ATOM 1643 CG ASN A 99 124.504 12.926 2.027 1.00 0.00 C ATOM 1644 OD1 ASN A 99 125.687 12.678 1.902 1.00 0.00 O ATOM 1645 ND2 ASN A 99 123.874 13.586 1.094 1.00 0.00 N ATOM 0 H ASN A 99 124.704 12.860 5.832 1.00 0.00 H new ATOM 0 HA ASN A 99 123.497 14.602 3.683 1.00 0.00 H new ATOM 0 HB2 ASN A 99 124.285 11.671 3.773 1.00 0.00 H new ATOM 0 HB3 ASN A 99 122.769 12.068 2.988 1.00 0.00 H new ATOM 0 HD21 ASN A 99 124.375 13.893 0.260 1.00 0.00 H new ATOM 0 HD22 ASN A 99 122.881 13.794 1.199 1.00 0.00 H new ATOM 1652 N MET A 100 122.227 14.053 6.211 1.00 0.00 N ATOM 1653 CA MET A 100 120.993 13.947 7.041 1.00 0.00 C ATOM 1654 C MET A 100 119.829 14.660 6.348 1.00 0.00 C ATOM 1655 O MET A 100 118.680 14.306 6.522 1.00 0.00 O ATOM 1656 CB MET A 100 121.338 14.639 8.359 1.00 0.00 C ATOM 1657 CG MET A 100 121.282 13.621 9.501 1.00 0.00 C ATOM 1658 SD MET A 100 121.396 14.486 11.086 1.00 0.00 S ATOM 1659 CE MET A 100 122.907 15.416 10.729 1.00 0.00 C ATOM 0 H MET A 100 122.997 14.565 6.642 1.00 0.00 H new ATOM 0 HA MET A 100 120.687 12.912 7.195 1.00 0.00 H new ATOM 0 HB2 MET A 100 122.333 15.081 8.300 1.00 0.00 H new ATOM 0 HB3 MET A 100 120.638 15.453 8.549 1.00 0.00 H new ATOM 0 HG2 MET A 100 120.353 13.053 9.451 1.00 0.00 H new ATOM 0 HG3 MET A 100 122.099 12.906 9.405 1.00 0.00 H new ATOM 0 HE1 MET A 100 123.490 15.527 11.643 1.00 0.00 H new ATOM 0 HE2 MET A 100 123.497 14.880 9.985 1.00 0.00 H new ATOM 0 HE3 MET A 100 122.645 16.401 10.343 1.00 0.00 H new ATOM 1669 N TYR A 101 120.118 15.660 5.561 1.00 0.00 N ATOM 1670 CA TYR A 101 119.027 16.390 4.854 1.00 0.00 C ATOM 1671 C TYR A 101 118.305 15.445 3.893 1.00 0.00 C ATOM 1672 O TYR A 101 117.168 15.666 3.524 1.00 0.00 O ATOM 1673 CB TYR A 101 119.732 17.507 4.081 1.00 0.00 C ATOM 1674 CG TYR A 101 120.147 18.600 5.036 1.00 0.00 C ATOM 1675 CD1 TYR A 101 119.174 19.330 5.731 1.00 0.00 C ATOM 1676 CD2 TYR A 101 121.503 18.886 5.226 1.00 0.00 C ATOM 1677 CE1 TYR A 101 119.559 20.344 6.615 1.00 0.00 C ATOM 1678 CE2 TYR A 101 121.889 19.901 6.111 1.00 0.00 C ATOM 1679 CZ TYR A 101 120.915 20.630 6.805 1.00 0.00 C ATOM 1680 OH TYR A 101 121.295 21.631 7.677 1.00 0.00 O ATOM 0 H TYR A 101 121.061 16.003 5.377 1.00 0.00 H new ATOM 0 HA TYR A 101 118.277 16.783 5.540 1.00 0.00 H new ATOM 0 HB2 TYR A 101 120.606 17.110 3.565 1.00 0.00 H new ATOM 0 HB3 TYR A 101 119.067 17.910 3.318 1.00 0.00 H new ATOM 0 HD1 TYR A 101 118.127 19.110 5.584 1.00 0.00 H new ATOM 0 HD2 TYR A 101 122.253 18.324 4.690 1.00 0.00 H new ATOM 0 HE1 TYR A 101 118.809 20.906 7.151 1.00 0.00 H new ATOM 0 HE2 TYR A 101 122.936 20.121 6.258 1.00 0.00 H new ATOM 0 HH TYR A 101 122.273 21.698 7.692 1.00 0.00 H new ATOM 1690 N ALA A 102 118.957 14.389 3.487 1.00 0.00 N ATOM 1691 CA ALA A 102 118.311 13.424 2.552 1.00 0.00 C ATOM 1692 C ALA A 102 117.331 12.531 3.314 1.00 0.00 C ATOM 1693 O ALA A 102 116.248 12.240 2.848 1.00 0.00 O ATOM 1694 CB ALA A 102 119.463 12.596 1.984 1.00 0.00 C ATOM 0 H ALA A 102 119.910 14.153 3.763 1.00 0.00 H new ATOM 0 HA ALA A 102 117.742 13.922 1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 102 119.070 11.859 1.284 1.00 0.00 H new ATOM 0 HB2 ALA A 102 120.162 13.253 1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 102 119.979 12.085 2.797 1.00 0.00 H new ATOM 1700 N VAL A 103 117.705 12.097 4.483 1.00 0.00 N ATOM 1701 CA VAL A 103 116.796 11.224 5.280 1.00 0.00 C ATOM 1702 C VAL A 103 115.662 12.059 5.879 1.00 0.00 C ATOM 1703 O VAL A 103 114.585 11.562 6.145 1.00 0.00 O ATOM 1704 CB VAL A 103 117.672 10.636 6.388 1.00 0.00 C ATOM 1705 CG1 VAL A 103 116.972 9.421 6.996 1.00 0.00 C ATOM 1706 CG2 VAL A 103 119.020 10.205 5.802 1.00 0.00 C ATOM 0 H VAL A 103 118.601 12.308 4.923 1.00 0.00 H new ATOM 0 HA VAL A 103 116.335 10.444 4.673 1.00 0.00 H new ATOM 0 HB VAL A 103 117.836 11.389 7.159 1.00 0.00 H new ATOM 0 HG11 VAL A 103 117.594 9.000 7.786 1.00 0.00 H new ATOM 0 HG12 VAL A 103 116.012 9.725 7.413 1.00 0.00 H new ATOM 0 HG13 VAL A 103 116.810 8.670 6.223 1.00 0.00 H new ATOM 0 HG21 VAL A 103 119.643 9.786 6.592 1.00 0.00 H new ATOM 0 HG22 VAL A 103 118.857 9.452 5.031 1.00 0.00 H new ATOM 0 HG23 VAL A 103 119.520 11.070 5.365 1.00 0.00 H new ATOM 1716 N GLN A 104 115.896 13.325 6.093 1.00 0.00 N ATOM 1717 CA GLN A 104 114.833 14.193 6.674 1.00 0.00 C ATOM 1718 C GLN A 104 113.921 14.724 5.565 1.00 0.00 C ATOM 1719 O GLN A 104 112.771 15.041 5.792 1.00 0.00 O ATOM 1720 CB GLN A 104 115.582 15.341 7.350 1.00 0.00 C ATOM 1721 CG GLN A 104 116.227 14.838 8.643 1.00 0.00 C ATOM 1722 CD GLN A 104 115.137 14.535 9.673 1.00 0.00 C ATOM 1723 OE1 GLN A 104 114.761 13.394 9.858 1.00 0.00 O ATOM 1724 NE2 GLN A 104 114.611 15.514 10.356 1.00 0.00 N ATOM 0 H GLN A 104 116.778 13.796 5.890 1.00 0.00 H new ATOM 0 HA GLN A 104 114.198 13.654 7.377 1.00 0.00 H new ATOM 0 HB2 GLN A 104 116.346 15.736 6.680 1.00 0.00 H new ATOM 0 HB3 GLN A 104 114.895 16.159 7.568 1.00 0.00 H new ATOM 0 HG2 GLN A 104 116.814 13.941 8.444 1.00 0.00 H new ATOM 0 HG3 GLN A 104 116.914 15.588 9.035 1.00 0.00 H new ATOM 0 HE21 GLN A 104 114.927 16.471 10.201 1.00 0.00 H new ATOM 0 HE22 GLN A 104 113.884 15.322 11.045 1.00 0.00 H new ATOM 1733 N THR A 105 114.427 14.824 4.365 1.00 0.00 N ATOM 1734 CA THR A 105 113.588 15.335 3.245 1.00 0.00 C ATOM 1735 C THR A 105 112.396 14.403 3.011 1.00 0.00 C ATOM 1736 O THR A 105 111.378 14.801 2.481 1.00 0.00 O ATOM 1737 CB THR A 105 114.514 15.341 2.027 1.00 0.00 C ATOM 1738 OG1 THR A 105 113.917 16.102 0.985 1.00 0.00 O ATOM 1739 CG2 THR A 105 114.743 13.908 1.547 1.00 0.00 C ATOM 0 H THR A 105 115.383 14.574 4.113 1.00 0.00 H new ATOM 0 HA THR A 105 113.181 16.325 3.451 1.00 0.00 H new ATOM 0 HB THR A 105 115.471 15.785 2.301 1.00 0.00 H new ATOM 0 HG1 THR A 105 114.509 16.109 0.204 1.00 0.00 H new ATOM 0 HG21 THR A 105 115.403 13.916 0.679 1.00 0.00 H new ATOM 0 HG22 THR A 105 115.201 13.325 2.346 1.00 0.00 H new ATOM 0 HG23 THR A 105 113.788 13.459 1.273 1.00 0.00 H new ATOM 1747 N LEU A 106 112.514 13.163 3.403 1.00 0.00 N ATOM 1748 CA LEU A 106 111.387 12.207 3.204 1.00 0.00 C ATOM 1749 C LEU A 106 110.180 12.632 4.043 1.00 0.00 C ATOM 1750 O LEU A 106 109.050 12.564 3.602 1.00 0.00 O ATOM 1751 CB LEU A 106 111.922 10.856 3.679 1.00 0.00 C ATOM 1752 CG LEU A 106 112.612 10.140 2.517 1.00 0.00 C ATOM 1753 CD1 LEU A 106 113.236 8.837 3.022 1.00 0.00 C ATOM 1754 CD2 LEU A 106 111.585 9.822 1.427 1.00 0.00 C ATOM 0 H LEU A 106 113.342 12.771 3.852 1.00 0.00 H new ATOM 0 HA LEU A 106 111.056 12.170 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 106 112.625 11.000 4.499 1.00 0.00 H new ATOM 0 HB3 LEU A 106 111.105 10.245 4.063 1.00 0.00 H new ATOM 0 HG LEU A 106 113.390 10.783 2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 106 113.728 8.325 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 106 113.968 9.061 3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 106 112.456 8.196 3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 106 112.079 9.312 0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 106 110.806 9.179 1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 106 111.138 10.749 1.067 1.00 0.00 H new ATOM 1766 N LYS A 107 110.409 13.074 5.249 1.00 0.00 N ATOM 1767 CA LYS A 107 109.272 13.505 6.111 1.00 0.00 C ATOM 1768 C LYS A 107 108.418 14.538 5.369 1.00 0.00 C ATOM 1769 O LYS A 107 107.226 14.642 5.580 1.00 0.00 O ATOM 1770 CB LYS A 107 109.922 14.133 7.344 1.00 0.00 C ATOM 1771 CG LYS A 107 108.841 14.746 8.236 1.00 0.00 C ATOM 1772 CD LYS A 107 109.307 14.724 9.694 1.00 0.00 C ATOM 1773 CE LYS A 107 110.123 15.984 9.989 1.00 0.00 C ATOM 1774 NZ LYS A 107 109.119 17.007 10.391 1.00 0.00 N ATOM 0 H LYS A 107 111.332 13.155 5.674 1.00 0.00 H new ATOM 0 HA LYS A 107 108.616 12.677 6.378 1.00 0.00 H new ATOM 0 HB2 LYS A 107 110.480 13.378 7.898 1.00 0.00 H new ATOM 0 HB3 LYS A 107 110.636 14.899 7.041 1.00 0.00 H new ATOM 0 HG2 LYS A 107 108.636 15.770 7.924 1.00 0.00 H new ATOM 0 HG3 LYS A 107 107.910 14.188 8.132 1.00 0.00 H new ATOM 0 HD2 LYS A 107 108.447 14.671 10.361 1.00 0.00 H new ATOM 0 HD3 LYS A 107 109.910 13.835 9.881 1.00 0.00 H new ATOM 0 HE2 LYS A 107 110.847 15.808 10.784 1.00 0.00 H new ATOM 0 HE3 LYS A 107 110.684 16.305 9.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 109.603 17.901 10.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 108.447 17.159 9.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 108.605 16.677 11.233 1.00 0.00 H new ATOM 1987 N VAL A 121 102.942 7.855 4.666 1.00 0.00 N ATOM 1988 CA VAL A 121 103.381 7.880 6.086 1.00 0.00 C ATOM 1989 C VAL A 121 104.442 6.808 6.334 1.00 0.00 C ATOM 1990 O VAL A 121 105.442 7.044 6.978 1.00 0.00 O ATOM 1991 CB VAL A 121 102.116 7.594 6.896 1.00 0.00 C ATOM 1992 CG1 VAL A 121 101.795 6.098 6.861 1.00 0.00 C ATOM 1993 CG2 VAL A 121 102.329 8.037 8.344 1.00 0.00 C ATOM 0 HA VAL A 121 103.832 8.833 6.363 1.00 0.00 H new ATOM 0 HB VAL A 121 101.282 8.146 6.462 1.00 0.00 H new ATOM 0 HG11 VAL A 121 100.892 5.906 7.441 1.00 0.00 H new ATOM 0 HG12 VAL A 121 101.637 5.784 5.829 1.00 0.00 H new ATOM 0 HG13 VAL A 121 102.627 5.537 7.288 1.00 0.00 H new ATOM 0 HG21 VAL A 121 101.428 7.834 8.923 1.00 0.00 H new ATOM 0 HG22 VAL A 121 103.167 7.488 8.773 1.00 0.00 H new ATOM 0 HG23 VAL A 121 102.544 9.105 8.370 1.00 0.00 H new ATOM 2003 N ASN A 122 104.228 5.628 5.829 1.00 0.00 N ATOM 2004 CA ASN A 122 105.222 4.537 6.037 1.00 0.00 C ATOM 2005 C ASN A 122 106.639 5.052 5.767 1.00 0.00 C ATOM 2006 O ASN A 122 107.598 4.604 6.363 1.00 0.00 O ATOM 2007 CB ASN A 122 104.842 3.456 5.024 1.00 0.00 C ATOM 2008 CG ASN A 122 104.024 2.368 5.722 1.00 0.00 C ATOM 2009 OD1 ASN A 122 104.568 1.390 6.192 1.00 0.00 O ATOM 2010 ND2 ASN A 122 102.728 2.500 5.812 1.00 0.00 N ATOM 0 H ASN A 122 103.408 5.369 5.280 1.00 0.00 H new ATOM 0 HA ASN A 122 105.212 4.159 7.059 1.00 0.00 H new ATOM 0 HB2 ASN A 122 104.265 3.893 4.209 1.00 0.00 H new ATOM 0 HB3 ASN A 122 105.740 3.024 4.583 1.00 0.00 H new ATOM 0 HD21 ASN A 122 102.173 1.781 6.277 1.00 0.00 H new ATOM 0 HD22 ASN A 122 102.270 3.322 5.417 1.00 0.00 H new ATOM 2017 N VAL A 123 106.777 5.989 4.870 1.00 0.00 N ATOM 2018 CA VAL A 123 108.132 6.530 4.556 1.00 0.00 C ATOM 2019 C VAL A 123 108.524 7.610 5.572 1.00 0.00 C ATOM 2020 O VAL A 123 109.560 7.536 6.197 1.00 0.00 O ATOM 2021 CB VAL A 123 107.999 7.108 3.137 1.00 0.00 C ATOM 2022 CG1 VAL A 123 108.906 8.332 2.963 1.00 0.00 C ATOM 2023 CG2 VAL A 123 108.406 6.039 2.122 1.00 0.00 C ATOM 0 H VAL A 123 106.011 6.404 4.340 1.00 0.00 H new ATOM 0 HA VAL A 123 108.913 5.772 4.609 1.00 0.00 H new ATOM 0 HB VAL A 123 106.964 7.411 2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 123 108.797 8.725 1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 123 108.624 9.100 3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 123 109.944 8.043 3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 123 108.314 6.441 1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 123 109.439 5.741 2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 123 107.755 5.171 2.227 1.00 0.00 H new ATOM 2033 N ARG A 124 107.713 8.618 5.733 1.00 0.00 N ATOM 2034 CA ARG A 124 108.052 9.704 6.699 1.00 0.00 C ATOM 2035 C ARG A 124 108.493 9.124 8.048 1.00 0.00 C ATOM 2036 O ARG A 124 109.506 9.506 8.599 1.00 0.00 O ATOM 2037 CB ARG A 124 106.760 10.505 6.856 1.00 0.00 C ATOM 2038 CG ARG A 124 106.974 11.624 7.876 1.00 0.00 C ATOM 2039 CD ARG A 124 106.219 11.293 9.165 1.00 0.00 C ATOM 2040 NE ARG A 124 106.074 12.596 9.871 1.00 0.00 N ATOM 2041 CZ ARG A 124 105.366 12.672 10.966 1.00 0.00 C ATOM 2042 NH1 ARG A 124 104.629 11.662 11.340 1.00 0.00 N ATOM 2043 NH2 ARG A 124 105.396 13.759 11.686 1.00 0.00 N ATOM 0 H ARG A 124 106.829 8.738 5.238 1.00 0.00 H new ATOM 0 HA ARG A 124 108.880 10.318 6.345 1.00 0.00 H new ATOM 0 HB2 ARG A 124 106.462 10.926 5.896 1.00 0.00 H new ATOM 0 HB3 ARG A 124 105.951 9.851 7.182 1.00 0.00 H new ATOM 0 HG2 ARG A 124 108.037 11.741 8.085 1.00 0.00 H new ATOM 0 HG3 ARG A 124 106.623 12.572 7.470 1.00 0.00 H new ATOM 0 HD2 ARG A 124 105.247 10.850 8.950 1.00 0.00 H new ATOM 0 HD3 ARG A 124 106.770 10.574 9.772 1.00 0.00 H new ATOM 0 HE ARG A 124 106.528 13.430 9.499 1.00 0.00 H new ATOM 0 HH11 ARG A 124 104.605 10.812 10.777 1.00 0.00 H new ATOM 0 HH12 ARG A 124 104.077 11.723 12.195 1.00 0.00 H new ATOM 0 HH21 ARG A 124 105.972 14.549 11.394 1.00 0.00 H new ATOM 0 HH22 ARG A 124 104.844 13.820 12.541 1.00 0.00 H new ATOM 2057 N GLU A 125 107.729 8.219 8.590 1.00 0.00 N ATOM 2058 CA GLU A 125 108.088 7.624 9.913 1.00 0.00 C ATOM 2059 C GLU A 125 109.392 6.821 9.833 1.00 0.00 C ATOM 2060 O GLU A 125 110.306 7.032 10.605 1.00 0.00 O ATOM 2061 CB GLU A 125 106.916 6.703 10.254 1.00 0.00 C ATOM 2062 CG GLU A 125 105.736 7.540 10.753 1.00 0.00 C ATOM 2063 CD GLU A 125 104.445 6.730 10.621 1.00 0.00 C ATOM 2064 OE1 GLU A 125 104.168 6.267 9.527 1.00 0.00 O ATOM 2065 OE2 GLU A 125 103.754 6.587 11.617 1.00 0.00 O ATOM 0 H GLU A 125 106.868 7.862 8.175 1.00 0.00 H new ATOM 0 HA GLU A 125 108.253 8.393 10.668 1.00 0.00 H new ATOM 0 HB2 GLU A 125 106.623 6.130 9.375 1.00 0.00 H new ATOM 0 HB3 GLU A 125 107.215 5.985 11.018 1.00 0.00 H new ATOM 0 HG2 GLU A 125 105.893 7.827 11.793 1.00 0.00 H new ATOM 0 HG3 GLU A 125 105.660 8.462 10.176 1.00 0.00 H new ATOM 2072 N LYS A 126 109.485 5.894 8.919 1.00 0.00 N ATOM 2073 CA LYS A 126 110.729 5.073 8.812 1.00 0.00 C ATOM 2074 C LYS A 126 111.968 5.971 8.777 1.00 0.00 C ATOM 2075 O LYS A 126 112.951 5.717 9.446 1.00 0.00 O ATOM 2076 CB LYS A 126 110.586 4.306 7.498 1.00 0.00 C ATOM 2077 CG LYS A 126 110.863 2.821 7.741 1.00 0.00 C ATOM 2078 CD LYS A 126 112.181 2.666 8.504 1.00 0.00 C ATOM 2079 CE LYS A 126 111.898 2.134 9.909 1.00 0.00 C ATOM 2080 NZ LYS A 126 113.198 1.576 10.378 1.00 0.00 N ATOM 0 H LYS A 126 108.756 5.668 8.242 1.00 0.00 H new ATOM 0 HA LYS A 126 110.852 4.406 9.665 1.00 0.00 H new ATOM 0 HB2 LYS A 126 109.582 4.438 7.095 1.00 0.00 H new ATOM 0 HB3 LYS A 126 111.282 4.700 6.757 1.00 0.00 H new ATOM 0 HG2 LYS A 126 110.047 2.376 8.310 1.00 0.00 H new ATOM 0 HG3 LYS A 126 110.916 2.290 6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 126 112.843 1.983 7.972 1.00 0.00 H new ATOM 0 HD3 LYS A 126 112.694 3.626 8.564 1.00 0.00 H new ATOM 0 HE2 LYS A 126 111.548 2.928 10.569 1.00 0.00 H new ATOM 0 HE3 LYS A 126 111.123 1.368 9.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 113.085 1.191 11.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 113.503 0.818 9.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 113.915 2.329 10.390 1.00 0.00 H new ATOM 2094 N ALA A 127 111.933 7.013 7.998 1.00 0.00 N ATOM 2095 CA ALA A 127 113.110 7.926 7.912 1.00 0.00 C ATOM 2096 C ALA A 127 113.313 8.661 9.239 1.00 0.00 C ATOM 2097 O ALA A 127 114.422 8.806 9.716 1.00 0.00 O ATOM 2098 CB ALA A 127 112.761 8.913 6.799 1.00 0.00 C ATOM 0 H ALA A 127 111.139 7.275 7.414 1.00 0.00 H new ATOM 0 HA ALA A 127 114.035 7.388 7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 127 113.579 9.622 6.672 1.00 0.00 H new ATOM 0 HB2 ALA A 127 112.603 8.370 5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 127 111.851 9.452 7.063 1.00 0.00 H new ATOM 2104 N LYS A 128 112.253 9.131 9.838 1.00 0.00 N ATOM 2105 CA LYS A 128 112.389 9.859 11.132 1.00 0.00 C ATOM 2106 C LYS A 128 113.322 9.095 12.075 1.00 0.00 C ATOM 2107 O LYS A 128 114.306 9.625 12.554 1.00 0.00 O ATOM 2108 CB LYS A 128 110.972 9.913 11.706 1.00 0.00 C ATOM 2109 CG LYS A 128 110.907 10.972 12.808 1.00 0.00 C ATOM 2110 CD LYS A 128 109.480 11.053 13.353 1.00 0.00 C ATOM 2111 CE LYS A 128 109.519 11.108 14.882 1.00 0.00 C ATOM 2112 NZ LYS A 128 109.606 12.558 15.212 1.00 0.00 N ATOM 0 H LYS A 128 111.299 9.043 9.488 1.00 0.00 H new ATOM 0 HA LYS A 128 112.815 10.854 11.003 1.00 0.00 H new ATOM 0 HB2 LYS A 128 110.258 10.149 10.917 1.00 0.00 H new ATOM 0 HB3 LYS A 128 110.693 8.938 12.107 1.00 0.00 H new ATOM 0 HG2 LYS A 128 111.601 10.720 13.610 1.00 0.00 H new ATOM 0 HG3 LYS A 128 111.213 11.941 12.414 1.00 0.00 H new ATOM 0 HD2 LYS A 128 108.979 11.937 12.960 1.00 0.00 H new ATOM 0 HD3 LYS A 128 108.904 10.188 13.024 1.00 0.00 H new ATOM 0 HE2 LYS A 128 108.627 10.657 15.316 1.00 0.00 H new ATOM 0 HE3 LYS A 128 110.376 10.561 15.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 109.637 12.678 16.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 110.468 12.959 14.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 108.773 13.051 14.831 1.00 0.00 H new ATOM 2126 N GLN A 129 113.022 7.854 12.346 1.00 0.00 N ATOM 2127 CA GLN A 129 113.892 7.058 13.259 1.00 0.00 C ATOM 2128 C GLN A 129 115.320 6.995 12.712 1.00 0.00 C ATOM 2129 O GLN A 129 116.274 7.278 13.409 1.00 0.00 O ATOM 2130 CB GLN A 129 113.269 5.662 13.286 1.00 0.00 C ATOM 2131 CG GLN A 129 114.088 4.755 14.207 1.00 0.00 C ATOM 2132 CD GLN A 129 113.316 3.461 14.471 1.00 0.00 C ATOM 2133 OE1 GLN A 129 112.851 2.817 13.552 1.00 0.00 O ATOM 2134 NE2 GLN A 129 113.160 3.048 15.700 1.00 0.00 N ATOM 0 H GLN A 129 112.212 7.357 11.975 1.00 0.00 H new ATOM 0 HA GLN A 129 113.952 7.498 14.255 1.00 0.00 H new ATOM 0 HB2 GLN A 129 112.239 5.719 13.637 1.00 0.00 H new ATOM 0 HB3 GLN A 129 113.241 5.245 12.279 1.00 0.00 H new ATOM 0 HG2 GLN A 129 115.051 4.529 13.749 1.00 0.00 H new ATOM 0 HG3 GLN A 129 114.294 5.266 15.148 1.00 0.00 H new ATOM 0 HE21 GLN A 129 113.550 3.588 16.473 1.00 0.00 H new ATOM 0 HE22 GLN A 129 112.648 2.186 15.887 1.00 0.00 H new ATOM 2143 N LEU A 130 115.475 6.624 11.471 1.00 0.00 N ATOM 2144 CA LEU A 130 116.844 6.541 10.883 1.00 0.00 C ATOM 2145 C LEU A 130 117.651 7.792 11.237 1.00 0.00 C ATOM 2146 O LEU A 130 118.862 7.759 11.319 1.00 0.00 O ATOM 2147 CB LEU A 130 116.623 6.455 9.372 1.00 0.00 C ATOM 2148 CG LEU A 130 117.937 6.077 8.686 1.00 0.00 C ATOM 2149 CD1 LEU A 130 118.378 4.687 9.153 1.00 0.00 C ATOM 2150 CD2 LEU A 130 117.731 6.062 7.170 1.00 0.00 C ATOM 0 H LEU A 130 114.715 6.375 10.838 1.00 0.00 H new ATOM 0 HA LEU A 130 117.403 5.686 11.262 1.00 0.00 H new ATOM 0 HB2 LEU A 130 115.856 5.713 9.147 1.00 0.00 H new ATOM 0 HB3 LEU A 130 116.263 7.411 8.991 1.00 0.00 H new ATOM 0 HG LEU A 130 118.705 6.806 8.944 1.00 0.00 H new ATOM 0 HD11 LEU A 130 119.314 4.419 8.664 1.00 0.00 H new ATOM 0 HD12 LEU A 130 118.523 4.695 10.233 1.00 0.00 H new ATOM 0 HD13 LEU A 130 117.611 3.956 8.895 1.00 0.00 H new ATOM 0 HD21 LEU A 130 118.666 5.793 6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 130 116.963 5.332 6.914 1.00 0.00 H new ATOM 0 HD23 LEU A 130 117.417 7.051 6.836 1.00 0.00 H new ATOM 2162 N VAL A 131 116.989 8.897 11.446 1.00 0.00 N ATOM 2163 CA VAL A 131 117.719 10.148 11.793 1.00 0.00 C ATOM 2164 C VAL A 131 117.878 10.266 13.311 1.00 0.00 C ATOM 2165 O VAL A 131 118.862 10.781 13.803 1.00 0.00 O ATOM 2166 CB VAL A 131 116.842 11.279 11.255 1.00 0.00 C ATOM 2167 CG1 VAL A 131 117.279 12.605 11.877 1.00 0.00 C ATOM 2168 CG2 VAL A 131 116.989 11.356 9.733 1.00 0.00 C ATOM 0 H VAL A 131 115.974 8.987 11.391 1.00 0.00 H new ATOM 0 HA VAL A 131 118.722 10.172 11.368 1.00 0.00 H new ATOM 0 HB VAL A 131 115.801 11.085 11.511 1.00 0.00 H new ATOM 0 HG11 VAL A 131 116.653 13.411 11.493 1.00 0.00 H new ATOM 0 HG12 VAL A 131 117.175 12.550 12.961 1.00 0.00 H new ATOM 0 HG13 VAL A 131 118.320 12.801 11.622 1.00 0.00 H new ATOM 0 HG21 VAL A 131 116.364 12.162 9.347 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.031 11.550 9.477 1.00 0.00 H new ATOM 0 HG23 VAL A 131 116.677 10.411 9.289 1.00 0.00 H new ATOM 2178 N ALA A 132 116.915 9.797 14.057 1.00 0.00 N ATOM 2179 CA ALA A 132 117.012 9.886 15.542 1.00 0.00 C ATOM 2180 C ALA A 132 118.162 9.015 16.055 1.00 0.00 C ATOM 2181 O ALA A 132 119.072 9.491 16.704 1.00 0.00 O ATOM 2182 CB ALA A 132 115.671 9.359 16.057 1.00 0.00 C ATOM 0 H ALA A 132 116.066 9.356 13.703 1.00 0.00 H new ATOM 0 HA ALA A 132 117.211 10.903 15.881 1.00 0.00 H new ATOM 0 HB1 ALA A 132 115.661 9.392 17.146 1.00 0.00 H new ATOM 0 HB2 ALA A 132 114.863 9.979 15.668 1.00 0.00 H new ATOM 0 HB3 ALA A 132 115.532 8.331 15.724 1.00 0.00 H new ATOM 2188 N LEU A 133 118.127 7.742 15.772 1.00 0.00 N ATOM 2189 CA LEU A 133 119.219 6.844 16.248 1.00 0.00 C ATOM 2190 C LEU A 133 120.583 7.415 15.855 1.00 0.00 C ATOM 2191 O LEU A 133 121.532 7.359 16.613 1.00 0.00 O ATOM 2192 CB LEU A 133 118.971 5.510 15.541 1.00 0.00 C ATOM 2193 CG LEU A 133 119.951 4.463 16.073 1.00 0.00 C ATOM 2194 CD1 LEU A 133 119.280 3.088 16.070 1.00 0.00 C ATOM 2195 CD2 LEU A 133 121.192 4.425 15.178 1.00 0.00 C ATOM 0 H LEU A 133 117.392 7.285 15.233 1.00 0.00 H new ATOM 0 HA LEU A 133 119.222 6.736 17.333 1.00 0.00 H new ATOM 0 HB2 LEU A 133 117.945 5.182 15.709 1.00 0.00 H new ATOM 0 HB3 LEU A 133 119.096 5.628 14.465 1.00 0.00 H new ATOM 0 HG LEU A 133 120.243 4.723 17.090 1.00 0.00 H new ATOM 0 HD11 LEU A 133 119.978 2.342 16.449 1.00 0.00 H new ATOM 0 HD12 LEU A 133 118.395 3.114 16.706 1.00 0.00 H new ATOM 0 HD13 LEU A 133 118.988 2.828 15.053 1.00 0.00 H new ATOM 0 HD21 LEU A 133 121.891 3.679 15.557 1.00 0.00 H new ATOM 0 HD22 LEU A 133 120.899 4.165 14.161 1.00 0.00 H new ATOM 0 HD23 LEU A 133 121.671 5.404 15.178 1.00 0.00 H new ATOM 2207 N LEU A 134 120.690 7.965 14.677 1.00 0.00 N ATOM 2208 CA LEU A 134 121.995 8.539 14.237 1.00 0.00 C ATOM 2209 C LEU A 134 122.500 9.554 15.267 1.00 0.00 C ATOM 2210 O LEU A 134 123.598 9.444 15.776 1.00 0.00 O ATOM 2211 CB LEU A 134 121.696 9.231 12.907 1.00 0.00 C ATOM 2212 CG LEU A 134 122.098 8.312 11.751 1.00 0.00 C ATOM 2213 CD1 LEU A 134 123.592 7.998 11.841 1.00 0.00 C ATOM 2214 CD2 LEU A 134 121.298 7.011 11.834 1.00 0.00 C ATOM 0 H LEU A 134 119.931 8.042 14.000 1.00 0.00 H new ATOM 0 HA LEU A 134 122.768 7.777 14.135 1.00 0.00 H new ATOM 0 HB2 LEU A 134 120.635 9.473 12.841 1.00 0.00 H new ATOM 0 HB3 LEU A 134 122.242 10.172 12.844 1.00 0.00 H new ATOM 0 HG LEU A 134 121.889 8.809 10.804 1.00 0.00 H new ATOM 0 HD11 LEU A 134 123.877 7.343 11.017 1.00 0.00 H new ATOM 0 HD12 LEU A 134 124.163 8.925 11.782 1.00 0.00 H new ATOM 0 HD13 LEU A 134 123.803 7.502 12.788 1.00 0.00 H new ATOM 0 HD21 LEU A 134 121.583 6.355 11.011 1.00 0.00 H new ATOM 0 HD22 LEU A 134 121.507 6.515 12.782 1.00 0.00 H new ATOM 0 HD23 LEU A 134 120.233 7.234 11.768 1.00 0.00 H new