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 126 LYS NZ :NH3+ -135:sc= 0.126 (180deg=0) USER MOD Set 1.2: A 129 GLN : amide:sc= -0.257 K(o=-0.13,f=-1.9!) USER MOD Set 2.1: A 75 TYR OH : rot 85:sc= 0.104 USER MOD Set 2.2: A 122 ASN : amide:sc= 0.0994 X(o=0.2,f=0.18) USER MOD Set 3.1: A 59 MET CE :methyl -148:sc= 0 (180deg=-0.384) USER MOD Set 3.2: A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 57 MET CE :methyl -139:sc= -3.96! (180deg=-7.6!) USER MOD Set 4.2: A 96 CYS SG : rot 125:sc= -1.46 USER MOD Set 5.1: A 41 SER OG : rot -36:sc= 0.776 USER MOD Set 5.2: A 83 TYR OH : rot 150:sc= 0.656 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -81:sc= 0.582 USER MOD Single : A 40 MET CE :methyl -155:sc= -0.592 (180deg=-1.25) USER MOD Single : A 47 THR OG1 : rot -74:sc= -2.7! USER MOD Single : A 48 TYR OH : rot 118:sc= 0.742 USER MOD Single : A 49 ASN : amide:sc=-0.00853 X(o=-0.0085,f=-0.16) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 122:sc= 0.822 USER MOD Single : A 65 ASN : amide:sc= -5.97! C(o=-6!,f=-8.5!) USER MOD Single : A 73 HIS : no HD1:sc= -0.965! C(o=-0.97!,f=-1.9!) USER MOD Single : A 76 LYS NZ :NH3+ 167:sc= 0.0295 (180deg=0.00642) USER MOD Single : A 78 MET CE :methyl -111:sc= -8.79! (180deg=-12.7!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -177:sc= -9.89! (180deg=-10.2!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.128 USER MOD Single : A 93 SER OG : rot -72:sc= 0.101 USER MOD Single : A 94 GLN : amide:sc= -0.857 K(o=-0.86,f=-2.3) 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= -0.165 K(o=-0.16,f=-2!) USER MOD Single : A 100 MET CE :methyl -169:sc= -0.877 (180deg=-1.09) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -1.98! C(o=-2!,f=-1.6!) 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 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 355 N GLU A 19 130.061 -5.195 -6.892 1.00 0.00 N ATOM 356 CA GLU A 19 128.750 -5.894 -7.019 1.00 0.00 C ATOM 357 C GLU A 19 127.806 -5.473 -5.889 1.00 0.00 C ATOM 358 O GLU A 19 126.712 -5.983 -5.760 1.00 0.00 O ATOM 359 CB GLU A 19 129.086 -7.382 -6.911 1.00 0.00 C ATOM 360 CG GLU A 19 129.474 -7.713 -5.469 1.00 0.00 C ATOM 361 CD GLU A 19 130.439 -8.900 -5.459 1.00 0.00 C ATOM 362 OE1 GLU A 19 131.457 -8.815 -6.125 1.00 0.00 O ATOM 363 OE2 GLU A 19 130.144 -9.873 -4.785 1.00 0.00 O ATOM 0 HA GLU A 19 128.245 -5.654 -7.955 1.00 0.00 H new ATOM 0 HB2 GLU A 19 128.229 -7.982 -7.215 1.00 0.00 H new ATOM 0 HB3 GLU A 19 129.905 -7.631 -7.586 1.00 0.00 H new ATOM 0 HG2 GLU A 19 129.941 -6.847 -4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 19 128.583 -7.950 -4.887 1.00 0.00 H new ATOM 370 N ALA A 20 128.220 -4.548 -5.066 1.00 0.00 N ATOM 371 CA ALA A 20 127.341 -4.101 -3.947 1.00 0.00 C ATOM 372 C ALA A 20 126.107 -3.381 -4.498 1.00 0.00 C ATOM 373 O ALA A 20 124.990 -3.664 -4.115 1.00 0.00 O ATOM 374 CB ALA A 20 128.199 -3.142 -3.121 1.00 0.00 C ATOM 0 H ALA A 20 129.126 -4.083 -5.119 1.00 0.00 H new ATOM 0 HA ALA A 20 126.980 -4.938 -3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 20 127.619 -2.770 -2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 20 129.080 -3.667 -2.753 1.00 0.00 H new ATOM 0 HB3 ALA A 20 128.511 -2.304 -3.744 1.00 0.00 H new ATOM 380 N GLU A 21 126.297 -2.453 -5.396 1.00 0.00 N ATOM 381 CA GLU A 21 125.132 -1.719 -5.968 1.00 0.00 C ATOM 382 C GLU A 21 123.998 -2.698 -6.291 1.00 0.00 C ATOM 383 O GLU A 21 122.834 -2.378 -6.162 1.00 0.00 O ATOM 384 CB GLU A 21 125.662 -1.067 -7.246 1.00 0.00 C ATOM 385 CG GLU A 21 125.958 -2.149 -8.288 1.00 0.00 C ATOM 386 CD GLU A 21 126.588 -1.507 -9.525 1.00 0.00 C ATOM 387 OE1 GLU A 21 127.173 -0.446 -9.384 1.00 0.00 O ATOM 388 OE2 GLU A 21 126.475 -2.088 -10.591 1.00 0.00 O ATOM 0 H GLU A 21 127.208 -2.171 -5.758 1.00 0.00 H new ATOM 0 HA GLU A 21 124.726 -0.982 -5.275 1.00 0.00 H new ATOM 0 HB2 GLU A 21 124.929 -0.361 -7.637 1.00 0.00 H new ATOM 0 HB3 GLU A 21 126.567 -0.499 -7.029 1.00 0.00 H new ATOM 0 HG2 GLU A 21 126.632 -2.897 -7.870 1.00 0.00 H new ATOM 0 HG3 GLU A 21 125.039 -2.666 -8.562 1.00 0.00 H new ATOM 395 N ILE A 22 124.331 -3.889 -6.709 1.00 0.00 N ATOM 396 CA ILE A 22 123.273 -4.886 -7.039 1.00 0.00 C ATOM 397 C ILE A 22 122.649 -5.436 -5.754 1.00 0.00 C ATOM 398 O ILE A 22 121.451 -5.616 -5.662 1.00 0.00 O ATOM 399 CB ILE A 22 123.999 -5.995 -7.800 1.00 0.00 C ATOM 400 CG1 ILE A 22 124.727 -5.392 -9.005 1.00 0.00 C ATOM 401 CG2 ILE A 22 122.984 -7.031 -8.286 1.00 0.00 C ATOM 402 CD1 ILE A 22 125.639 -6.449 -9.633 1.00 0.00 C ATOM 0 H ILE A 22 125.289 -4.215 -6.836 1.00 0.00 H new ATOM 0 HA ILE A 22 122.463 -4.452 -7.626 1.00 0.00 H new ATOM 0 HB ILE A 22 124.721 -6.476 -7.140 1.00 0.00 H new ATOM 0 HG12 ILE A 22 124.004 -5.037 -9.740 1.00 0.00 H new ATOM 0 HG13 ILE A 22 125.315 -4.528 -8.693 1.00 0.00 H new ATOM 0 HG21 ILE A 22 123.502 -7.822 -8.829 1.00 0.00 H new ATOM 0 HG22 ILE A 22 122.463 -7.460 -7.430 1.00 0.00 H new ATOM 0 HG23 ILE A 22 122.262 -6.551 -8.946 1.00 0.00 H new ATOM 0 HD11 ILE A 22 126.157 -6.020 -10.491 1.00 0.00 H new ATOM 0 HD12 ILE A 22 126.371 -6.782 -8.897 1.00 0.00 H new ATOM 0 HD13 ILE A 22 125.040 -7.299 -9.959 1.00 0.00 H new ATOM 414 N LYS A 23 123.452 -5.704 -4.760 1.00 0.00 N ATOM 415 CA LYS A 23 122.902 -6.242 -3.483 1.00 0.00 C ATOM 416 C LYS A 23 121.898 -5.254 -2.882 1.00 0.00 C ATOM 417 O LYS A 23 120.818 -5.626 -2.468 1.00 0.00 O ATOM 418 CB LYS A 23 124.115 -6.397 -2.566 1.00 0.00 C ATOM 419 CG LYS A 23 124.124 -7.803 -1.965 1.00 0.00 C ATOM 420 CD LYS A 23 124.135 -8.838 -3.092 1.00 0.00 C ATOM 421 CE LYS A 23 124.999 -10.032 -2.683 1.00 0.00 C ATOM 422 NZ LYS A 23 125.274 -10.760 -3.952 1.00 0.00 N ATOM 0 H LYS A 23 124.464 -5.574 -4.777 1.00 0.00 H new ATOM 0 HA LYS A 23 122.374 -7.185 -3.625 1.00 0.00 H new ATOM 0 HB2 LYS A 23 125.033 -6.224 -3.128 1.00 0.00 H new ATOM 0 HB3 LYS A 23 124.082 -5.651 -1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 23 124.999 -7.933 -1.329 1.00 0.00 H new ATOM 0 HG3 LYS A 23 123.247 -7.946 -1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 23 123.119 -9.168 -3.306 1.00 0.00 H new ATOM 0 HD3 LYS A 23 124.524 -8.391 -4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 23 125.924 -9.706 -2.207 1.00 0.00 H new ATOM 0 HE3 LYS A 23 124.479 -10.669 -1.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 125.863 -11.594 -3.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 124.376 -11.064 -4.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 125.775 -10.131 -4.611 1.00 0.00 H new ATOM 436 N VAL A 24 122.245 -3.997 -2.833 1.00 0.00 N ATOM 437 CA VAL A 24 121.310 -2.986 -2.260 1.00 0.00 C ATOM 438 C VAL A 24 120.006 -2.962 -3.061 1.00 0.00 C ATOM 439 O VAL A 24 118.936 -2.776 -2.518 1.00 0.00 O ATOM 440 CB VAL A 24 122.049 -1.652 -2.386 1.00 0.00 C ATOM 441 CG1 VAL A 24 121.052 -0.497 -2.255 1.00 0.00 C ATOM 442 CG2 VAL A 24 123.098 -1.547 -1.276 1.00 0.00 C ATOM 0 H VAL A 24 123.135 -3.626 -3.165 1.00 0.00 H new ATOM 0 HA VAL A 24 121.041 -3.205 -1.227 1.00 0.00 H new ATOM 0 HB VAL A 24 122.538 -1.599 -3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 24 121.581 0.452 -2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 24 120.303 -0.571 -3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 24 120.561 -0.548 -1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 24 123.626 -0.598 -1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 24 122.606 -1.601 -0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 24 123.809 -2.368 -1.369 1.00 0.00 H new ATOM 452 N ARG A 25 120.087 -3.150 -4.351 1.00 0.00 N ATOM 453 CA ARG A 25 118.850 -3.137 -5.182 1.00 0.00 C ATOM 454 C ARG A 25 117.920 -4.277 -4.764 1.00 0.00 C ATOM 455 O ARG A 25 116.711 -4.144 -4.773 1.00 0.00 O ATOM 456 CB ARG A 25 119.334 -3.337 -6.618 1.00 0.00 C ATOM 457 CG ARG A 25 118.238 -2.900 -7.591 1.00 0.00 C ATOM 458 CD ARG A 25 118.033 -3.983 -8.651 1.00 0.00 C ATOM 459 NE ARG A 25 118.508 -3.370 -9.922 1.00 0.00 N ATOM 460 CZ ARG A 25 119.411 -3.978 -10.641 1.00 0.00 C ATOM 461 NH1 ARG A 25 119.077 -4.999 -11.383 1.00 0.00 N ATOM 462 NH2 ARG A 25 120.649 -3.566 -10.618 1.00 0.00 N ATOM 0 H ARG A 25 120.954 -3.312 -4.863 1.00 0.00 H new ATOM 0 HA ARG A 25 118.286 -2.211 -5.068 1.00 0.00 H new ATOM 0 HB2 ARG A 25 120.241 -2.758 -6.791 1.00 0.00 H new ATOM 0 HB3 ARG A 25 119.587 -4.384 -6.785 1.00 0.00 H new ATOM 0 HG2 ARG A 25 117.307 -2.724 -7.051 1.00 0.00 H new ATOM 0 HG3 ARG A 25 118.514 -1.959 -8.067 1.00 0.00 H new ATOM 0 HD2 ARG A 25 118.599 -4.883 -8.411 1.00 0.00 H new ATOM 0 HD3 ARG A 25 116.985 -4.275 -8.720 1.00 0.00 H new ATOM 0 HE ARG A 25 118.128 -2.475 -10.230 1.00 0.00 H new ATOM 0 HH11 ARG A 25 118.110 -5.322 -11.401 1.00 0.00 H new ATOM 0 HH12 ARG A 25 119.783 -5.474 -11.945 1.00 0.00 H new ATOM 0 HH21 ARG A 25 120.910 -2.769 -10.038 1.00 0.00 H new ATOM 0 HH22 ARG A 25 121.355 -4.041 -11.180 1.00 0.00 H new ATOM 476 N GLU A 26 118.474 -5.398 -4.396 1.00 0.00 N ATOM 477 CA GLU A 26 117.625 -6.547 -3.976 1.00 0.00 C ATOM 478 C GLU A 26 117.103 -6.323 -2.554 1.00 0.00 C ATOM 479 O GLU A 26 115.999 -6.704 -2.220 1.00 0.00 O ATOM 480 CB GLU A 26 118.550 -7.764 -4.024 1.00 0.00 C ATOM 481 CG GLU A 26 118.441 -8.434 -5.395 1.00 0.00 C ATOM 482 CD GLU A 26 118.952 -9.874 -5.303 1.00 0.00 C ATOM 483 OE1 GLU A 26 118.194 -10.722 -4.864 1.00 0.00 O ATOM 484 OE2 GLU A 26 120.092 -10.101 -5.674 1.00 0.00 O ATOM 0 H GLU A 26 119.479 -5.568 -4.368 1.00 0.00 H new ATOM 0 HA GLU A 26 116.754 -6.675 -4.619 1.00 0.00 H new ATOM 0 HB2 GLU A 26 119.580 -7.459 -3.837 1.00 0.00 H new ATOM 0 HB3 GLU A 26 118.280 -8.471 -3.239 1.00 0.00 H new ATOM 0 HG2 GLU A 26 117.405 -8.426 -5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 26 119.022 -7.877 -6.131 1.00 0.00 H new ATOM 491 N ALA A 27 117.890 -5.708 -1.715 1.00 0.00 N ATOM 492 CA ALA A 27 117.438 -5.457 -0.316 1.00 0.00 C ATOM 493 C ALA A 27 116.226 -4.522 -0.314 1.00 0.00 C ATOM 494 O ALA A 27 115.434 -4.518 0.607 1.00 0.00 O ATOM 495 CB ALA A 27 118.632 -4.796 0.374 1.00 0.00 C ATOM 0 H ALA A 27 118.826 -5.368 -1.937 1.00 0.00 H new ATOM 0 HA ALA A 27 117.133 -6.372 0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 27 118.378 -4.579 1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 27 119.489 -5.469 0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 27 118.881 -3.868 -0.140 1.00 0.00 H new ATOM 501 N THR A 28 116.072 -3.732 -1.343 1.00 0.00 N ATOM 502 CA THR A 28 114.909 -2.801 -1.399 1.00 0.00 C ATOM 503 C THR A 28 113.989 -3.178 -2.564 1.00 0.00 C ATOM 504 O THR A 28 113.688 -2.367 -3.417 1.00 0.00 O ATOM 505 CB THR A 28 115.518 -1.415 -1.619 1.00 0.00 C ATOM 506 OG1 THR A 28 116.324 -1.436 -2.790 1.00 0.00 O ATOM 507 CG2 THR A 28 116.378 -1.035 -0.412 1.00 0.00 C ATOM 0 H THR A 28 116.700 -3.691 -2.146 1.00 0.00 H new ATOM 0 HA THR A 28 114.305 -2.838 -0.492 1.00 0.00 H new ATOM 0 HB THR A 28 114.721 -0.681 -1.738 1.00 0.00 H new ATOM 0 HG1 THR A 28 117.203 -1.813 -2.575 1.00 0.00 H new ATOM 0 HG21 THR A 28 116.811 -0.047 -0.570 1.00 0.00 H new ATOM 0 HG22 THR A 28 115.759 -1.020 0.485 1.00 0.00 H new ATOM 0 HG23 THR A 28 117.177 -1.766 -0.290 1.00 0.00 H new ATOM 644 N LEU A 39 120.785 -11.244 2.650 1.00 0.00 N ATOM 645 CA LEU A 39 121.313 -10.144 1.793 1.00 0.00 C ATOM 646 C LEU A 39 121.578 -8.894 2.638 1.00 0.00 C ATOM 647 O LEU A 39 122.455 -8.109 2.340 1.00 0.00 O ATOM 648 CB LEU A 39 120.214 -9.871 0.767 1.00 0.00 C ATOM 649 CG LEU A 39 120.608 -8.671 -0.094 1.00 0.00 C ATOM 650 CD1 LEU A 39 120.758 -9.115 -1.551 1.00 0.00 C ATOM 651 CD2 LEU A 39 119.522 -7.596 0.002 1.00 0.00 C ATOM 0 HA LEU A 39 122.256 -10.413 1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 39 120.062 -10.749 0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 39 119.269 -9.674 1.274 1.00 0.00 H new ATOM 0 HG LEU A 39 121.555 -8.265 0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 39 121.039 -8.259 -2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 39 121.531 -9.881 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 39 119.811 -9.522 -1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 39 119.802 -6.740 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 39 118.575 -8.003 -0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 39 119.414 -7.279 1.039 1.00 0.00 H new ATOM 663 N MET A 40 120.827 -8.704 3.688 1.00 0.00 N ATOM 664 CA MET A 40 121.040 -7.504 4.547 1.00 0.00 C ATOM 665 C MET A 40 122.441 -7.535 5.162 1.00 0.00 C ATOM 666 O MET A 40 123.256 -6.668 4.917 1.00 0.00 O ATOM 667 CB MET A 40 119.972 -7.603 5.637 1.00 0.00 C ATOM 668 CG MET A 40 118.741 -6.796 5.223 1.00 0.00 C ATOM 669 SD MET A 40 117.421 -7.042 6.438 1.00 0.00 S ATOM 670 CE MET A 40 116.379 -5.653 5.925 1.00 0.00 C ATOM 0 H MET A 40 120.077 -9.326 3.988 1.00 0.00 H new ATOM 0 HA MET A 40 120.962 -6.574 3.984 1.00 0.00 H new ATOM 0 HB2 MET A 40 119.698 -8.646 5.799 1.00 0.00 H new ATOM 0 HB3 MET A 40 120.366 -7.227 6.581 1.00 0.00 H new ATOM 0 HG2 MET A 40 118.993 -5.738 5.153 1.00 0.00 H new ATOM 0 HG3 MET A 40 118.403 -7.109 4.235 1.00 0.00 H new ATOM 0 HE1 MET A 40 115.762 -5.332 6.764 1.00 0.00 H new ATOM 0 HE2 MET A 40 117.010 -4.825 5.601 1.00 0.00 H new ATOM 0 HE3 MET A 40 115.737 -5.964 5.101 1.00 0.00 H new ATOM 680 N SER A 41 122.726 -8.528 5.959 1.00 0.00 N ATOM 681 CA SER A 41 124.075 -8.614 6.591 1.00 0.00 C ATOM 682 C SER A 41 125.169 -8.547 5.521 1.00 0.00 C ATOM 683 O SER A 41 126.316 -8.269 5.810 1.00 0.00 O ATOM 684 CB SER A 41 124.096 -9.970 7.294 1.00 0.00 C ATOM 685 OG SER A 41 123.041 -10.021 8.247 1.00 0.00 O ATOM 0 H SER A 41 122.084 -9.283 6.200 1.00 0.00 H new ATOM 0 HA SER A 41 124.259 -7.792 7.283 1.00 0.00 H new ATOM 0 HB2 SER A 41 123.982 -10.772 6.565 1.00 0.00 H new ATOM 0 HB3 SER A 41 125.056 -10.122 7.788 1.00 0.00 H new ATOM 0 HG SER A 41 122.928 -9.138 8.658 1.00 0.00 H new ATOM 691 N GLU A 42 124.823 -8.802 4.288 1.00 0.00 N ATOM 692 CA GLU A 42 125.846 -8.756 3.205 1.00 0.00 C ATOM 693 C GLU A 42 126.128 -7.306 2.797 1.00 0.00 C ATOM 694 O GLU A 42 127.249 -6.843 2.858 1.00 0.00 O ATOM 695 CB GLU A 42 125.226 -9.531 2.041 1.00 0.00 C ATOM 696 CG GLU A 42 126.017 -10.821 1.810 1.00 0.00 C ATOM 697 CD GLU A 42 127.178 -10.545 0.852 1.00 0.00 C ATOM 698 OE1 GLU A 42 127.826 -9.525 1.017 1.00 0.00 O ATOM 699 OE2 GLU A 42 127.398 -11.359 -0.030 1.00 0.00 O ATOM 0 H GLU A 42 123.879 -9.040 3.985 1.00 0.00 H new ATOM 0 HA GLU A 42 126.797 -9.184 3.520 1.00 0.00 H new ATOM 0 HB2 GLU A 42 124.184 -9.765 2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 42 125.233 -8.920 1.138 1.00 0.00 H new ATOM 0 HG2 GLU A 42 126.397 -11.202 2.758 1.00 0.00 H new ATOM 0 HG3 GLU A 42 125.365 -11.590 1.396 1.00 0.00 H new ATOM 706 N ILE A 43 125.122 -6.586 2.381 1.00 0.00 N ATOM 707 CA ILE A 43 125.341 -5.170 1.970 1.00 0.00 C ATOM 708 C ILE A 43 126.163 -4.433 3.033 1.00 0.00 C ATOM 709 O ILE A 43 126.916 -3.529 2.733 1.00 0.00 O ATOM 710 CB ILE A 43 123.941 -4.566 1.847 1.00 0.00 C ATOM 711 CG1 ILE A 43 123.308 -5.020 0.528 1.00 0.00 C ATOM 712 CG2 ILE A 43 124.035 -3.039 1.862 1.00 0.00 C ATOM 713 CD1 ILE A 43 121.846 -5.400 0.764 1.00 0.00 C ATOM 0 H ILE A 43 124.160 -6.916 2.308 1.00 0.00 H new ATOM 0 HA ILE A 43 125.894 -5.092 1.034 1.00 0.00 H new ATOM 0 HB ILE A 43 123.329 -4.899 2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 43 123.372 -4.222 -0.211 1.00 0.00 H new ATOM 0 HG13 ILE A 43 123.855 -5.872 0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 43 123.036 -2.612 1.774 1.00 0.00 H new ATOM 0 HG22 ILE A 43 124.489 -2.712 2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 43 124.648 -2.704 1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 43 121.398 -5.723 -0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 43 121.794 -6.212 1.489 1.00 0.00 H new ATOM 0 HD13 ILE A 43 121.303 -4.536 1.147 1.00 0.00 H new ATOM 725 N ALA A 44 126.030 -4.816 4.274 1.00 0.00 N ATOM 726 CA ALA A 44 126.814 -4.138 5.346 1.00 0.00 C ATOM 727 C ALA A 44 128.289 -4.530 5.228 1.00 0.00 C ATOM 728 O ALA A 44 129.160 -3.692 5.097 1.00 0.00 O ATOM 729 CB ALA A 44 126.218 -4.644 6.659 1.00 0.00 C ATOM 0 H ALA A 44 125.415 -5.566 4.591 1.00 0.00 H new ATOM 0 HA ALA A 44 126.764 -3.051 5.280 1.00 0.00 H new ATOM 0 HB1 ALA A 44 126.745 -4.188 7.497 1.00 0.00 H new ATOM 0 HB2 ALA A 44 125.162 -4.378 6.706 1.00 0.00 H new ATOM 0 HB3 ALA A 44 126.322 -5.728 6.712 1.00 0.00 H new ATOM 735 N ASP A 45 128.580 -5.802 5.254 1.00 0.00 N ATOM 736 CA ASP A 45 129.998 -6.227 5.122 1.00 0.00 C ATOM 737 C ASP A 45 130.612 -5.527 3.910 1.00 0.00 C ATOM 738 O ASP A 45 131.808 -5.332 3.826 1.00 0.00 O ATOM 739 CB ASP A 45 129.947 -7.741 4.909 1.00 0.00 C ATOM 740 CG ASP A 45 131.209 -8.381 5.490 1.00 0.00 C ATOM 741 OD1 ASP A 45 131.955 -7.677 6.151 1.00 0.00 O ATOM 742 OD2 ASP A 45 131.407 -9.564 5.264 1.00 0.00 O ATOM 0 H ASP A 45 127.903 -6.557 5.360 1.00 0.00 H new ATOM 0 HA ASP A 45 130.603 -5.973 5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 45 129.061 -8.157 5.389 1.00 0.00 H new ATOM 0 HB3 ASP A 45 129.868 -7.967 3.846 1.00 0.00 H new ATOM 747 N LEU A 46 129.787 -5.137 2.975 1.00 0.00 N ATOM 748 CA LEU A 46 130.300 -4.436 1.768 1.00 0.00 C ATOM 749 C LEU A 46 130.696 -3.005 2.125 1.00 0.00 C ATOM 750 O LEU A 46 131.724 -2.513 1.706 1.00 0.00 O ATOM 751 CB LEU A 46 129.131 -4.441 0.782 1.00 0.00 C ATOM 752 CG LEU A 46 129.166 -5.725 -0.045 1.00 0.00 C ATOM 753 CD1 LEU A 46 127.737 -6.149 -0.391 1.00 0.00 C ATOM 754 CD2 LEU A 46 129.950 -5.479 -1.336 1.00 0.00 C ATOM 0 H LEU A 46 128.777 -5.276 2.998 1.00 0.00 H new ATOM 0 HA LEU A 46 131.185 -4.917 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 46 128.186 -4.369 1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 46 129.191 -3.572 0.127 1.00 0.00 H new ATOM 0 HG LEU A 46 129.650 -6.514 0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 46 127.762 -7.065 -0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 46 127.177 -6.324 0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 46 127.253 -5.360 -0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 46 129.975 -6.395 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 46 129.466 -4.690 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 46 130.968 -5.177 -1.091 1.00 0.00 H new ATOM 766 N THR A 47 129.892 -2.331 2.899 1.00 0.00 N ATOM 767 CA THR A 47 130.241 -0.931 3.278 1.00 0.00 C ATOM 768 C THR A 47 131.688 -0.884 3.759 1.00 0.00 C ATOM 769 O THR A 47 132.444 0.000 3.409 1.00 0.00 O ATOM 770 CB THR A 47 129.290 -0.551 4.414 1.00 0.00 C ATOM 771 OG1 THR A 47 129.473 -1.442 5.504 1.00 0.00 O ATOM 772 CG2 THR A 47 127.845 -0.623 3.921 1.00 0.00 C ATOM 0 H THR A 47 129.016 -2.684 3.283 1.00 0.00 H new ATOM 0 HA THR A 47 130.144 -0.243 2.438 1.00 0.00 H new ATOM 0 HB THR A 47 129.505 0.466 4.742 1.00 0.00 H new ATOM 0 HG1 THR A 47 129.073 -2.310 5.287 1.00 0.00 H new ATOM 0 HG21 THR A 47 127.170 -0.352 4.733 1.00 0.00 H new ATOM 0 HG22 THR A 47 127.709 0.069 3.090 1.00 0.00 H new ATOM 0 HG23 THR A 47 127.624 -1.637 3.589 1.00 0.00 H new ATOM 780 N TYR A 48 132.086 -1.841 4.553 1.00 0.00 N ATOM 781 CA TYR A 48 133.493 -1.853 5.042 1.00 0.00 C ATOM 782 C TYR A 48 134.436 -1.588 3.869 1.00 0.00 C ATOM 783 O TYR A 48 135.332 -0.770 3.944 1.00 0.00 O ATOM 784 CB TYR A 48 133.717 -3.261 5.595 1.00 0.00 C ATOM 785 CG TYR A 48 132.963 -3.427 6.892 1.00 0.00 C ATOM 786 CD1 TYR A 48 133.565 -3.064 8.103 1.00 0.00 C ATOM 787 CD2 TYR A 48 131.664 -3.949 6.884 1.00 0.00 C ATOM 788 CE1 TYR A 48 132.867 -3.225 9.306 1.00 0.00 C ATOM 789 CE2 TYR A 48 130.967 -4.111 8.088 1.00 0.00 C ATOM 790 CZ TYR A 48 131.569 -3.747 9.299 1.00 0.00 C ATOM 791 OH TYR A 48 130.884 -3.909 10.486 1.00 0.00 O ATOM 0 H TYR A 48 131.502 -2.610 4.882 1.00 0.00 H new ATOM 0 HA TYR A 48 133.680 -1.091 5.799 1.00 0.00 H new ATOM 0 HB2 TYR A 48 133.381 -4.004 4.871 1.00 0.00 H new ATOM 0 HB3 TYR A 48 134.781 -3.433 5.758 1.00 0.00 H new ATOM 0 HD1 TYR A 48 134.567 -2.660 8.109 1.00 0.00 H new ATOM 0 HD2 TYR A 48 131.199 -4.227 5.949 1.00 0.00 H new ATOM 0 HE1 TYR A 48 133.331 -2.946 10.240 1.00 0.00 H new ATOM 0 HE2 TYR A 48 129.966 -4.516 8.083 1.00 0.00 H new ATOM 0 HH TYR A 48 130.081 -3.348 10.479 1.00 0.00 H new ATOM 801 N ASN A 49 134.228 -2.274 2.780 1.00 0.00 N ATOM 802 CA ASN A 49 135.094 -2.073 1.582 1.00 0.00 C ATOM 803 C ASN A 49 134.850 -0.701 0.975 1.00 0.00 C ATOM 804 O ASN A 49 134.011 -0.532 0.115 1.00 0.00 O ATOM 805 CB ASN A 49 134.689 -3.178 0.606 1.00 0.00 C ATOM 806 CG ASN A 49 135.925 -3.982 0.203 1.00 0.00 C ATOM 807 OD1 ASN A 49 136.679 -4.423 1.047 1.00 0.00 O ATOM 808 ND2 ASN A 49 136.167 -4.192 -1.062 1.00 0.00 N ATOM 0 H ASN A 49 133.491 -2.970 2.667 1.00 0.00 H new ATOM 0 HA ASN A 49 136.154 -2.121 1.829 1.00 0.00 H new ATOM 0 HB2 ASN A 49 133.951 -3.833 1.068 1.00 0.00 H new ATOM 0 HB3 ASN A 49 134.221 -2.744 -0.277 1.00 0.00 H new ATOM 0 HD21 ASN A 49 136.989 -4.727 -1.342 1.00 0.00 H new ATOM 0 HD22 ASN A 49 135.534 -3.822 -1.771 1.00 0.00 H new ATOM 815 N VAL A 50 135.624 0.250 1.420 1.00 0.00 N ATOM 816 CA VAL A 50 135.563 1.654 0.910 1.00 0.00 C ATOM 817 C VAL A 50 134.672 1.780 -0.335 1.00 0.00 C ATOM 818 O VAL A 50 133.695 2.503 -0.338 1.00 0.00 O ATOM 819 CB VAL A 50 137.035 1.985 0.586 1.00 0.00 C ATOM 820 CG1 VAL A 50 137.782 0.730 0.081 1.00 0.00 C ATOM 821 CG2 VAL A 50 137.103 3.077 -0.488 1.00 0.00 C ATOM 0 H VAL A 50 136.326 0.106 2.146 1.00 0.00 H new ATOM 0 HA VAL A 50 135.121 2.339 1.634 1.00 0.00 H new ATOM 0 HB VAL A 50 137.512 2.337 1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 50 138.818 0.988 -0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 50 137.757 -0.042 0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 50 137.299 0.358 -0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 50 138.146 3.304 -0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 50 136.607 2.728 -1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 50 136.605 3.976 -0.125 1.00 0.00 H new ATOM 831 N VAL A 51 134.995 1.082 -1.388 1.00 0.00 N ATOM 832 CA VAL A 51 134.159 1.165 -2.621 1.00 0.00 C ATOM 833 C VAL A 51 132.753 0.658 -2.334 1.00 0.00 C ATOM 834 O VAL A 51 131.781 1.380 -2.442 1.00 0.00 O ATOM 835 CB VAL A 51 134.842 0.235 -3.631 1.00 0.00 C ATOM 836 CG1 VAL A 51 133.814 -0.285 -4.656 1.00 0.00 C ATOM 837 CG2 VAL A 51 135.944 1.006 -4.360 1.00 0.00 C ATOM 0 H VAL A 51 135.800 0.458 -1.449 1.00 0.00 H new ATOM 0 HA VAL A 51 134.075 2.188 -2.987 1.00 0.00 H new ATOM 0 HB VAL A 51 135.272 -0.615 -3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 51 134.311 -0.944 -5.368 1.00 0.00 H new ATOM 0 HG12 VAL A 51 133.030 -0.836 -4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 51 133.373 0.558 -5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 51 136.433 0.349 -5.079 1.00 0.00 H new ATOM 0 HG22 VAL A 51 135.508 1.857 -4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 51 136.678 1.362 -3.637 1.00 0.00 H new ATOM 847 N ALA A 52 132.653 -0.599 -2.014 1.00 0.00 N ATOM 848 CA ALA A 52 131.328 -1.214 -1.762 1.00 0.00 C ATOM 849 C ALA A 52 130.391 -0.225 -1.066 1.00 0.00 C ATOM 850 O ALA A 52 129.259 -0.047 -1.465 1.00 0.00 O ATOM 851 CB ALA A 52 131.613 -2.409 -0.856 1.00 0.00 C ATOM 0 H ALA A 52 133.446 -1.234 -1.916 1.00 0.00 H new ATOM 0 HA ALA A 52 130.834 -1.508 -2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 52 130.679 -2.920 -0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 52 132.286 -3.099 -1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 52 132.078 -2.063 0.067 1.00 0.00 H new ATOM 857 N PHE A 53 130.854 0.421 -0.031 1.00 0.00 N ATOM 858 CA PHE A 53 129.989 1.398 0.684 1.00 0.00 C ATOM 859 C PHE A 53 129.507 2.482 -0.286 1.00 0.00 C ATOM 860 O PHE A 53 128.326 2.734 -0.414 1.00 0.00 O ATOM 861 CB PHE A 53 130.893 2.006 1.757 1.00 0.00 C ATOM 862 CG PHE A 53 130.251 3.256 2.297 1.00 0.00 C ATOM 863 CD1 PHE A 53 128.960 3.202 2.828 1.00 0.00 C ATOM 864 CD2 PHE A 53 130.947 4.466 2.259 1.00 0.00 C ATOM 865 CE1 PHE A 53 128.360 4.364 3.325 1.00 0.00 C ATOM 866 CE2 PHE A 53 130.349 5.631 2.756 1.00 0.00 C ATOM 867 CZ PHE A 53 129.055 5.580 3.289 1.00 0.00 C ATOM 0 H PHE A 53 131.794 0.314 0.349 1.00 0.00 H new ATOM 0 HA PHE A 53 129.100 0.933 1.111 1.00 0.00 H new ATOM 0 HB2 PHE A 53 131.054 1.289 2.562 1.00 0.00 H new ATOM 0 HB3 PHE A 53 131.871 2.238 1.336 1.00 0.00 H new ATOM 0 HD1 PHE A 53 128.426 2.264 2.855 1.00 0.00 H new ATOM 0 HD2 PHE A 53 131.945 4.503 1.847 1.00 0.00 H new ATOM 0 HE1 PHE A 53 127.362 4.324 3.736 1.00 0.00 H new ATOM 0 HE2 PHE A 53 130.885 6.568 2.728 1.00 0.00 H new ATOM 0 HZ PHE A 53 128.593 6.478 3.672 1.00 0.00 H new ATOM 877 N SER A 54 130.415 3.127 -0.965 1.00 0.00 N ATOM 878 CA SER A 54 130.010 4.194 -1.925 1.00 0.00 C ATOM 879 C SER A 54 128.993 3.641 -2.925 1.00 0.00 C ATOM 880 O SER A 54 128.207 4.371 -3.497 1.00 0.00 O ATOM 881 CB SER A 54 131.301 4.597 -2.638 1.00 0.00 C ATOM 882 OG SER A 54 130.980 5.378 -3.782 1.00 0.00 O ATOM 0 H SER A 54 131.419 2.962 -0.897 1.00 0.00 H new ATOM 0 HA SER A 54 129.539 5.042 -1.428 1.00 0.00 H new ATOM 0 HB2 SER A 54 131.941 5.165 -1.963 1.00 0.00 H new ATOM 0 HB3 SER A 54 131.859 3.709 -2.934 1.00 0.00 H new ATOM 0 HG SER A 54 131.805 5.640 -4.241 1.00 0.00 H new ATOM 888 N GLU A 55 129.003 2.354 -3.141 1.00 0.00 N ATOM 889 CA GLU A 55 128.039 1.749 -4.102 1.00 0.00 C ATOM 890 C GLU A 55 126.718 1.438 -3.392 1.00 0.00 C ATOM 891 O GLU A 55 125.662 1.426 -3.995 1.00 0.00 O ATOM 892 CB GLU A 55 128.716 0.459 -4.576 1.00 0.00 C ATOM 893 CG GLU A 55 130.168 0.751 -4.967 1.00 0.00 C ATOM 894 CD GLU A 55 130.197 1.500 -6.300 1.00 0.00 C ATOM 895 OE1 GLU A 55 129.846 0.900 -7.302 1.00 0.00 O ATOM 896 OE2 GLU A 55 130.569 2.662 -6.296 1.00 0.00 O ATOM 0 H GLU A 55 129.639 1.695 -2.692 1.00 0.00 H new ATOM 0 HA GLU A 55 127.803 2.413 -4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 55 128.686 -0.291 -3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 55 128.176 0.045 -5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 55 130.651 1.347 -4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 55 130.728 -0.181 -5.049 1.00 0.00 H new ATOM 903 N ILE A 56 126.772 1.187 -2.112 1.00 0.00 N ATOM 904 CA ILE A 56 125.529 0.876 -1.352 1.00 0.00 C ATOM 905 C ILE A 56 124.788 2.170 -1.000 1.00 0.00 C ATOM 906 O ILE A 56 123.739 2.462 -1.538 1.00 0.00 O ATOM 907 CB ILE A 56 126.017 0.172 -0.086 1.00 0.00 C ATOM 908 CG1 ILE A 56 126.515 -1.230 -0.444 1.00 0.00 C ATOM 909 CG2 ILE A 56 124.873 0.061 0.924 1.00 0.00 C ATOM 910 CD1 ILE A 56 127.779 -1.545 0.359 1.00 0.00 C ATOM 0 H ILE A 56 127.628 1.184 -1.558 1.00 0.00 H new ATOM 0 HA ILE A 56 124.833 0.260 -1.921 1.00 0.00 H new ATOM 0 HB ILE A 56 126.829 0.750 0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 56 125.742 -1.968 -0.229 1.00 0.00 H new ATOM 0 HG13 ILE A 56 126.725 -1.291 -1.512 1.00 0.00 H new ATOM 0 HG21 ILE A 56 125.229 -0.442 1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 56 124.518 1.059 1.183 1.00 0.00 H new ATOM 0 HG23 ILE A 56 124.056 -0.513 0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 56 128.133 -2.544 0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 56 128.552 -0.814 0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 56 127.553 -1.502 1.425 1.00 0.00 H new ATOM 922 N MET A 57 125.332 2.950 -0.104 1.00 0.00 N ATOM 923 CA MET A 57 124.661 4.226 0.277 1.00 0.00 C ATOM 924 C MET A 57 124.210 4.976 -0.978 1.00 0.00 C ATOM 925 O MET A 57 123.145 5.559 -1.015 1.00 0.00 O ATOM 926 CB MET A 57 125.731 5.026 1.023 1.00 0.00 C ATOM 927 CG MET A 57 125.063 6.113 1.865 1.00 0.00 C ATOM 928 SD MET A 57 125.108 5.636 3.611 1.00 0.00 S ATOM 929 CE MET A 57 124.474 7.189 4.288 1.00 0.00 C ATOM 0 H MET A 57 126.210 2.759 0.379 1.00 0.00 H new ATOM 0 HA MET A 57 123.773 4.063 0.888 1.00 0.00 H new ATOM 0 HB2 MET A 57 126.315 4.364 1.662 1.00 0.00 H new ATOM 0 HB3 MET A 57 126.424 5.476 0.313 1.00 0.00 H new ATOM 0 HG2 MET A 57 125.576 7.064 1.723 1.00 0.00 H new ATOM 0 HG3 MET A 57 124.032 6.256 1.542 1.00 0.00 H new ATOM 0 HE1 MET A 57 125.030 7.447 5.189 1.00 0.00 H new ATOM 0 HE2 MET A 57 124.591 7.982 3.550 1.00 0.00 H new ATOM 0 HE3 MET A 57 123.418 7.075 4.533 1.00 0.00 H new ATOM 939 N SER A 58 125.012 4.964 -2.007 1.00 0.00 N ATOM 940 CA SER A 58 124.626 5.674 -3.260 1.00 0.00 C ATOM 941 C SER A 58 123.278 5.154 -3.764 1.00 0.00 C ATOM 942 O SER A 58 122.329 5.899 -3.905 1.00 0.00 O ATOM 943 CB SER A 58 125.736 5.352 -4.259 1.00 0.00 C ATOM 944 OG SER A 58 126.840 6.216 -4.028 1.00 0.00 O ATOM 0 H SER A 58 125.917 4.494 -2.035 1.00 0.00 H new ATOM 0 HA SER A 58 124.517 6.748 -3.110 1.00 0.00 H new ATOM 0 HB2 SER A 58 126.045 4.312 -4.154 1.00 0.00 H new ATOM 0 HB3 SER A 58 125.370 5.475 -5.279 1.00 0.00 H new ATOM 0 HG SER A 58 127.641 5.682 -3.845 1.00 0.00 H new ATOM 950 N MET A 59 123.185 3.880 -4.034 1.00 0.00 N ATOM 951 CA MET A 59 121.893 3.319 -4.525 1.00 0.00 C ATOM 952 C MET A 59 120.810 3.486 -3.455 1.00 0.00 C ATOM 953 O MET A 59 119.631 3.375 -3.726 1.00 0.00 O ATOM 954 CB MET A 59 122.175 1.838 -4.783 1.00 0.00 C ATOM 955 CG MET A 59 122.996 1.692 -6.065 1.00 0.00 C ATOM 956 SD MET A 59 121.942 2.034 -7.497 1.00 0.00 S ATOM 957 CE MET A 59 123.240 1.961 -8.756 1.00 0.00 C ATOM 0 H MET A 59 123.944 3.206 -3.937 1.00 0.00 H new ATOM 0 HA MET A 59 121.534 3.824 -5.422 1.00 0.00 H new ATOM 0 HB2 MET A 59 122.716 1.408 -3.941 1.00 0.00 H new ATOM 0 HB3 MET A 59 121.238 1.289 -4.874 1.00 0.00 H new ATOM 0 HG2 MET A 59 123.841 2.380 -6.049 1.00 0.00 H new ATOM 0 HG3 MET A 59 123.407 0.685 -6.134 1.00 0.00 H new ATOM 0 HE1 MET A 59 123.001 2.650 -9.566 1.00 0.00 H new ATOM 0 HE2 MET A 59 124.195 2.242 -8.311 1.00 0.00 H new ATOM 0 HE3 MET A 59 123.308 0.947 -9.151 1.00 0.00 H new ATOM 967 N ILE A 60 121.205 3.758 -2.241 1.00 0.00 N ATOM 968 CA ILE A 60 120.203 3.939 -1.151 1.00 0.00 C ATOM 969 C ILE A 60 119.629 5.363 -1.208 1.00 0.00 C ATOM 970 O ILE A 60 118.488 5.595 -0.863 1.00 0.00 O ATOM 971 CB ILE A 60 120.995 3.680 0.145 1.00 0.00 C ATOM 972 CG1 ILE A 60 120.692 2.263 0.642 1.00 0.00 C ATOM 973 CG2 ILE A 60 120.603 4.685 1.234 1.00 0.00 C ATOM 974 CD1 ILE A 60 122.003 1.532 0.946 1.00 0.00 C ATOM 0 H ILE A 60 122.179 3.863 -1.956 1.00 0.00 H new ATOM 0 HA ILE A 60 119.348 3.268 -1.228 1.00 0.00 H new ATOM 0 HB ILE A 60 122.058 3.791 -0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 60 120.072 2.306 1.538 1.00 0.00 H new ATOM 0 HG13 ILE A 60 120.126 1.716 -0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 60 121.175 4.482 2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 60 120.816 5.697 0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 60 119.539 4.592 1.449 1.00 0.00 H new ATOM 0 HD11 ILE A 60 121.784 0.524 1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 60 122.607 1.476 0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 60 122.552 2.075 1.715 1.00 0.00 H new ATOM 986 N TRP A 61 120.411 6.314 -1.640 1.00 0.00 N ATOM 987 CA TRP A 61 119.908 7.716 -1.717 1.00 0.00 C ATOM 988 C TRP A 61 118.962 7.876 -2.911 1.00 0.00 C ATOM 989 O TRP A 61 117.897 8.450 -2.799 1.00 0.00 O ATOM 990 CB TRP A 61 121.157 8.576 -1.906 1.00 0.00 C ATOM 991 CG TRP A 61 121.910 8.649 -0.617 1.00 0.00 C ATOM 992 CD1 TRP A 61 123.236 8.423 -0.479 1.00 0.00 C ATOM 993 CD2 TRP A 61 121.406 8.964 0.713 1.00 0.00 C ATOM 994 NE1 TRP A 61 123.579 8.579 0.851 1.00 0.00 N ATOM 995 CE2 TRP A 61 122.486 8.912 1.626 1.00 0.00 C ATOM 996 CE3 TRP A 61 120.131 9.286 1.211 1.00 0.00 C ATOM 997 CZ2 TRP A 61 122.307 9.170 2.986 1.00 0.00 C ATOM 998 CZ3 TRP A 61 119.947 9.547 2.578 1.00 0.00 C ATOM 999 CH2 TRP A 61 121.032 9.489 3.464 1.00 0.00 C ATOM 0 H TRP A 61 121.376 6.182 -1.943 1.00 0.00 H new ATOM 0 HA TRP A 61 119.347 8.001 -0.827 1.00 0.00 H new ATOM 0 HB2 TRP A 61 121.789 8.152 -2.686 1.00 0.00 H new ATOM 0 HB3 TRP A 61 120.876 9.577 -2.233 1.00 0.00 H new ATOM 0 HD1 TRP A 61 123.916 8.163 -1.277 1.00 0.00 H new ATOM 0 HE1 TRP A 61 124.524 8.462 1.215 1.00 0.00 H new ATOM 0 HE3 TRP A 61 119.288 9.333 0.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 123.147 9.124 3.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 118.963 9.794 2.950 1.00 0.00 H new ATOM 0 HH2 TRP A 61 120.883 9.690 4.515 1.00 0.00 H new ATOM 1010 N LYS A 62 119.343 7.371 -4.053 1.00 0.00 N ATOM 1011 CA LYS A 62 118.463 7.495 -5.250 1.00 0.00 C ATOM 1012 C LYS A 62 117.114 6.825 -4.979 1.00 0.00 C ATOM 1013 O LYS A 62 116.069 7.423 -5.143 1.00 0.00 O ATOM 1014 CB LYS A 62 119.211 6.769 -6.369 1.00 0.00 C ATOM 1015 CG LYS A 62 120.455 7.571 -6.756 1.00 0.00 C ATOM 1016 CD LYS A 62 121.600 6.610 -7.078 1.00 0.00 C ATOM 1017 CE LYS A 62 121.880 6.634 -8.584 1.00 0.00 C ATOM 1018 NZ LYS A 62 122.986 5.654 -8.796 1.00 0.00 N ATOM 0 H LYS A 62 120.223 6.879 -4.209 1.00 0.00 H new ATOM 0 HA LYS A 62 118.257 8.533 -5.509 1.00 0.00 H new ATOM 0 HB2 LYS A 62 119.497 5.770 -6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 62 118.561 6.646 -7.235 1.00 0.00 H new ATOM 0 HG2 LYS A 62 120.241 8.201 -7.619 1.00 0.00 H new ATOM 0 HG3 LYS A 62 120.741 8.235 -5.940 1.00 0.00 H new ATOM 0 HD2 LYS A 62 122.495 6.897 -6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 62 121.341 5.600 -6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 62 120.993 6.355 -9.153 1.00 0.00 H new ATOM 0 HE3 LYS A 62 122.170 7.632 -8.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 123.230 5.619 -9.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 123.820 5.948 -8.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 122.680 4.711 -8.481 1.00 0.00 H new ATOM 1032 N ARG A 63 117.129 5.588 -4.562 1.00 0.00 N ATOM 1033 CA ARG A 63 115.846 4.883 -4.276 1.00 0.00 C ATOM 1034 C ARG A 63 115.143 5.540 -3.085 1.00 0.00 C ATOM 1035 O ARG A 63 114.006 5.242 -2.779 1.00 0.00 O ATOM 1036 CB ARG A 63 116.248 3.449 -3.934 1.00 0.00 C ATOM 1037 CG ARG A 63 116.908 2.797 -5.151 1.00 0.00 C ATOM 1038 CD ARG A 63 115.850 2.528 -6.223 1.00 0.00 C ATOM 1039 NE ARG A 63 116.596 1.900 -7.349 1.00 0.00 N ATOM 1040 CZ ARG A 63 116.963 2.623 -8.372 1.00 0.00 C ATOM 1041 NH1 ARG A 63 116.097 2.926 -9.300 1.00 0.00 N ATOM 1042 NH2 ARG A 63 118.196 3.040 -8.468 1.00 0.00 N ATOM 0 H ARG A 63 117.972 5.036 -4.407 1.00 0.00 H new ATOM 0 HA ARG A 63 115.155 4.921 -5.118 1.00 0.00 H new ATOM 0 HB2 ARG A 63 116.936 3.445 -3.089 1.00 0.00 H new ATOM 0 HB3 ARG A 63 115.371 2.877 -3.633 1.00 0.00 H new ATOM 0 HG2 ARG A 63 117.686 3.449 -5.549 1.00 0.00 H new ATOM 0 HG3 ARG A 63 117.391 1.864 -4.860 1.00 0.00 H new ATOM 0 HD2 ARG A 63 115.068 1.867 -5.849 1.00 0.00 H new ATOM 0 HD3 ARG A 63 115.363 3.451 -6.538 1.00 0.00 H new ATOM 0 HE ARG A 63 116.820 0.905 -7.321 1.00 0.00 H new ATOM 0 HH11 ARG A 63 115.134 2.598 -9.226 1.00 0.00 H new ATOM 0 HH12 ARG A 63 116.383 3.491 -10.100 1.00 0.00 H new ATOM 0 HH21 ARG A 63 118.873 2.801 -7.744 1.00 0.00 H new ATOM 0 HH22 ARG A 63 118.483 3.605 -9.267 1.00 0.00 H new ATOM 1056 N LEU A 64 115.817 6.430 -2.409 1.00 0.00 N ATOM 1057 CA LEU A 64 115.196 7.105 -1.234 1.00 0.00 C ATOM 1058 C LEU A 64 114.441 8.359 -1.676 1.00 0.00 C ATOM 1059 O LEU A 64 113.579 8.855 -0.976 1.00 0.00 O ATOM 1060 CB LEU A 64 116.371 7.488 -0.336 1.00 0.00 C ATOM 1061 CG LEU A 64 116.529 6.445 0.770 1.00 0.00 C ATOM 1062 CD1 LEU A 64 117.731 6.803 1.647 1.00 0.00 C ATOM 1063 CD2 LEU A 64 115.261 6.420 1.628 1.00 0.00 C ATOM 0 H LEU A 64 116.772 6.719 -2.620 1.00 0.00 H new ATOM 0 HA LEU A 64 114.477 6.463 -0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 64 117.286 7.551 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 64 116.203 8.473 0.100 1.00 0.00 H new ATOM 0 HG LEU A 64 116.688 5.464 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 64 117.841 6.058 2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 64 118.634 6.822 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.575 7.784 2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 64 115.371 5.677 2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 64 115.104 7.402 2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 64 114.405 6.163 1.004 1.00 0.00 H new ATOM 1075 N ASN A 65 114.762 8.883 -2.824 1.00 0.00 N ATOM 1076 CA ASN A 65 114.068 10.106 -3.301 1.00 0.00 C ATOM 1077 C ASN A 65 113.107 9.762 -4.443 1.00 0.00 C ATOM 1078 O ASN A 65 112.970 10.503 -5.395 1.00 0.00 O ATOM 1079 CB ASN A 65 115.185 11.033 -3.789 1.00 0.00 C ATOM 1080 CG ASN A 65 115.686 10.565 -5.157 1.00 0.00 C ATOM 1081 OD1 ASN A 65 116.550 9.715 -5.244 1.00 0.00 O ATOM 1082 ND2 ASN A 65 115.176 11.089 -6.239 1.00 0.00 N ATOM 0 H ASN A 65 115.476 8.516 -3.453 1.00 0.00 H new ATOM 0 HA ASN A 65 113.469 10.572 -2.519 1.00 0.00 H new ATOM 0 HB2 ASN A 65 114.817 12.057 -3.857 1.00 0.00 H new ATOM 0 HB3 ASN A 65 116.006 11.037 -3.072 1.00 0.00 H new ATOM 0 HD21 ASN A 65 115.503 10.785 -7.156 1.00 0.00 H new ATOM 0 HD22 ASN A 65 114.451 11.803 -6.167 1.00 0.00 H new ATOM 1161 N TRP A 71 106.517 4.951 -3.786 1.00 0.00 N ATOM 1162 CA TRP A 71 107.277 5.265 -2.542 1.00 0.00 C ATOM 1163 C TRP A 71 107.730 3.971 -1.859 1.00 0.00 C ATOM 1164 O TRP A 71 108.612 3.976 -1.023 1.00 0.00 O ATOM 1165 CB TRP A 71 106.289 6.022 -1.656 1.00 0.00 C ATOM 1166 CG TRP A 71 105.077 5.177 -1.428 1.00 0.00 C ATOM 1167 CD1 TRP A 71 103.922 5.269 -2.127 1.00 0.00 C ATOM 1168 CD2 TRP A 71 104.878 4.116 -0.449 1.00 0.00 C ATOM 1169 NE1 TRP A 71 103.028 4.332 -1.639 1.00 0.00 N ATOM 1170 CE2 TRP A 71 103.572 3.598 -0.604 1.00 0.00 C ATOM 1171 CE3 TRP A 71 105.699 3.560 0.549 1.00 0.00 C ATOM 1172 CZ2 TRP A 71 103.095 2.563 0.203 1.00 0.00 C ATOM 1173 CZ3 TRP A 71 105.222 2.519 1.363 1.00 0.00 C ATOM 1174 CH2 TRP A 71 103.923 2.021 1.190 1.00 0.00 C ATOM 0 HA TRP A 71 108.175 5.849 -2.742 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.756 6.272 -0.703 1.00 0.00 H new ATOM 0 HB3 TRP A 71 106.006 6.962 -2.129 1.00 0.00 H new ATOM 0 HD1 TRP A 71 103.729 5.961 -2.934 1.00 0.00 H new ATOM 0 HE1 TRP A 71 102.083 4.200 -2.000 1.00 0.00 H new ATOM 0 HE3 TRP A 71 106.702 3.936 0.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 102.093 2.184 0.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 105.860 2.100 2.127 1.00 0.00 H new ATOM 0 HH2 TRP A 71 103.563 1.220 1.818 1.00 0.00 H new ATOM 1185 N ARG A 72 107.133 2.864 -2.206 1.00 0.00 N ATOM 1186 CA ARG A 72 107.536 1.575 -1.574 1.00 0.00 C ATOM 1187 C ARG A 72 109.060 1.434 -1.602 1.00 0.00 C ATOM 1188 O ARG A 72 109.666 0.947 -0.668 1.00 0.00 O ATOM 1189 CB ARG A 72 106.878 0.490 -2.427 1.00 0.00 C ATOM 1190 CG ARG A 72 105.361 0.689 -2.426 1.00 0.00 C ATOM 1191 CD ARG A 72 104.696 -0.458 -1.661 1.00 0.00 C ATOM 1192 NE ARG A 72 103.605 -0.932 -2.557 1.00 0.00 N ATOM 1193 CZ ARG A 72 102.401 -0.446 -2.433 1.00 0.00 C ATOM 1194 NH1 ARG A 72 101.843 -0.376 -1.255 1.00 0.00 N ATOM 1195 NH2 ARG A 72 101.754 -0.028 -3.487 1.00 0.00 N ATOM 0 H ARG A 72 106.386 2.796 -2.897 1.00 0.00 H new ATOM 0 HA ARG A 72 107.228 1.510 -0.530 1.00 0.00 H new ATOM 0 HB2 ARG A 72 107.260 0.533 -3.447 1.00 0.00 H new ATOM 0 HB3 ARG A 72 107.126 -0.496 -2.035 1.00 0.00 H new ATOM 0 HG2 ARG A 72 105.109 1.643 -1.963 1.00 0.00 H new ATOM 0 HG3 ARG A 72 104.987 0.723 -3.449 1.00 0.00 H new ATOM 0 HD2 ARG A 72 105.407 -1.256 -1.448 1.00 0.00 H new ATOM 0 HD3 ARG A 72 104.302 -0.118 -0.703 1.00 0.00 H new ATOM 0 HE ARG A 72 103.799 -1.637 -3.268 1.00 0.00 H new ATOM 0 HH11 ARG A 72 102.349 -0.701 -0.431 1.00 0.00 H new ATOM 0 HH12 ARG A 72 100.901 0.004 -1.158 1.00 0.00 H new ATOM 0 HH21 ARG A 72 102.190 -0.081 -4.408 1.00 0.00 H new ATOM 0 HH22 ARG A 72 100.812 0.352 -3.390 1.00 0.00 H new ATOM 1209 N HIS A 73 109.683 1.864 -2.666 1.00 0.00 N ATOM 1210 CA HIS A 73 111.168 1.763 -2.751 1.00 0.00 C ATOM 1211 C HIS A 73 111.810 2.591 -1.636 1.00 0.00 C ATOM 1212 O HIS A 73 112.766 2.176 -1.013 1.00 0.00 O ATOM 1213 CB HIS A 73 111.526 2.335 -4.122 1.00 0.00 C ATOM 1214 CG HIS A 73 110.816 1.552 -5.192 1.00 0.00 C ATOM 1215 ND1 HIS A 73 110.058 0.428 -4.904 1.00 0.00 N ATOM 1216 CD2 HIS A 73 110.739 1.718 -6.553 1.00 0.00 C ATOM 1217 CE1 HIS A 73 109.562 -0.035 -6.066 1.00 0.00 C ATOM 1218 NE2 HIS A 73 109.946 0.715 -7.103 1.00 0.00 N ATOM 0 H HIS A 73 109.228 2.280 -3.479 1.00 0.00 H new ATOM 0 HA HIS A 73 111.524 0.739 -2.635 1.00 0.00 H new ATOM 0 HB2 HIS A 73 111.241 3.386 -4.175 1.00 0.00 H new ATOM 0 HB3 HIS A 73 112.604 2.289 -4.277 1.00 0.00 H new ATOM 0 HD2 HIS A 73 111.221 2.507 -7.112 1.00 0.00 H new ATOM 0 HE1 HIS A 73 108.930 -0.907 -6.150 1.00 0.00 H new ATOM 0 HE2 HIS A 73 109.709 0.581 -8.086 1.00 0.00 H new ATOM 1226 N VAL A 74 111.285 3.758 -1.381 1.00 0.00 N ATOM 1227 CA VAL A 74 111.857 4.618 -0.305 1.00 0.00 C ATOM 1228 C VAL A 74 111.830 3.873 1.034 1.00 0.00 C ATOM 1229 O VAL A 74 112.828 3.766 1.717 1.00 0.00 O ATOM 1230 CB VAL A 74 110.939 5.840 -0.253 1.00 0.00 C ATOM 1231 CG1 VAL A 74 111.188 6.608 1.046 1.00 0.00 C ATOM 1232 CG2 VAL A 74 111.230 6.749 -1.450 1.00 0.00 C ATOM 0 H VAL A 74 110.483 4.154 -1.872 1.00 0.00 H new ATOM 0 HA VAL A 74 112.894 4.891 -0.498 1.00 0.00 H new ATOM 0 HB VAL A 74 109.899 5.516 -0.289 1.00 0.00 H new ATOM 0 HG11 VAL A 74 110.534 7.479 1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 74 110.980 5.960 1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 74 112.228 6.933 1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 74 110.576 7.620 -1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 74 112.270 7.074 -1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 74 111.052 6.201 -2.375 1.00 0.00 H new ATOM 1242 N TYR A 75 110.691 3.361 1.412 1.00 0.00 N ATOM 1243 CA TYR A 75 110.594 2.625 2.706 1.00 0.00 C ATOM 1244 C TYR A 75 111.710 1.581 2.804 1.00 0.00 C ATOM 1245 O TYR A 75 112.458 1.544 3.761 1.00 0.00 O ATOM 1246 CB TYR A 75 109.225 1.944 2.672 1.00 0.00 C ATOM 1247 CG TYR A 75 108.888 1.416 4.046 1.00 0.00 C ATOM 1248 CD1 TYR A 75 109.149 2.196 5.181 1.00 0.00 C ATOM 1249 CD2 TYR A 75 108.315 0.147 4.186 1.00 0.00 C ATOM 1250 CE1 TYR A 75 108.836 1.706 6.453 1.00 0.00 C ATOM 1251 CE2 TYR A 75 108.001 -0.344 5.460 1.00 0.00 C ATOM 1252 CZ TYR A 75 108.262 0.436 6.594 1.00 0.00 C ATOM 1253 OH TYR A 75 107.953 -0.047 7.849 1.00 0.00 O ATOM 0 H TYR A 75 109.822 3.420 0.881 1.00 0.00 H new ATOM 0 HA TYR A 75 110.700 3.286 3.567 1.00 0.00 H new ATOM 0 HB2 TYR A 75 108.463 2.652 2.347 1.00 0.00 H new ATOM 0 HB3 TYR A 75 109.231 1.128 1.949 1.00 0.00 H new ATOM 0 HD1 TYR A 75 109.592 3.175 5.073 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.115 -0.454 3.311 1.00 0.00 H new ATOM 0 HE1 TYR A 75 109.037 2.307 7.327 1.00 0.00 H new ATOM 0 HE2 TYR A 75 107.558 -1.323 5.568 1.00 0.00 H new ATOM 0 HH TYR A 75 107.068 0.278 8.116 1.00 0.00 H new ATOM 1263 N LYS A 76 111.829 0.734 1.819 1.00 0.00 N ATOM 1264 CA LYS A 76 112.897 -0.305 1.855 1.00 0.00 C ATOM 1265 C LYS A 76 114.276 0.357 1.826 1.00 0.00 C ATOM 1266 O LYS A 76 115.253 -0.196 2.293 1.00 0.00 O ATOM 1267 CB LYS A 76 112.676 -1.139 0.593 1.00 0.00 C ATOM 1268 CG LYS A 76 112.210 -2.544 0.982 1.00 0.00 C ATOM 1269 CD LYS A 76 113.266 -3.207 1.870 1.00 0.00 C ATOM 1270 CE LYS A 76 113.067 -4.724 1.855 1.00 0.00 C ATOM 1271 NZ LYS A 76 113.884 -5.232 2.991 1.00 0.00 N ATOM 0 H LYS A 76 111.233 0.716 0.991 1.00 0.00 H new ATOM 0 HA LYS A 76 112.855 -0.913 2.759 1.00 0.00 H new ATOM 0 HB2 LYS A 76 111.932 -0.662 -0.045 1.00 0.00 H new ATOM 0 HB3 LYS A 76 113.600 -1.198 0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 76 111.258 -2.489 1.510 1.00 0.00 H new ATOM 0 HG3 LYS A 76 112.044 -3.144 0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 76 114.265 -2.957 1.513 1.00 0.00 H new ATOM 0 HD3 LYS A 76 113.188 -2.829 2.890 1.00 0.00 H new ATOM 0 HE2 LYS A 76 112.016 -4.985 1.977 1.00 0.00 H new ATOM 0 HE3 LYS A 76 113.395 -5.156 0.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 113.631 -6.222 3.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 114.893 -5.174 2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 113.699 -4.656 3.837 1.00 0.00 H new ATOM 1285 N ALA A 77 114.363 1.540 1.281 1.00 0.00 N ATOM 1286 CA ALA A 77 115.677 2.240 1.223 1.00 0.00 C ATOM 1287 C ALA A 77 116.061 2.749 2.613 1.00 0.00 C ATOM 1288 O ALA A 77 117.221 2.952 2.913 1.00 0.00 O ATOM 1289 CB ALA A 77 115.461 3.407 0.262 1.00 0.00 C ATOM 0 H ALA A 77 113.580 2.052 0.873 1.00 0.00 H new ATOM 0 HA ALA A 77 116.483 1.586 0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 77 116.387 3.974 0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 77 115.166 3.024 -0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 77 114.676 4.057 0.649 1.00 0.00 H new ATOM 1295 N MET A 78 115.096 2.952 3.467 1.00 0.00 N ATOM 1296 CA MET A 78 115.407 3.442 4.840 1.00 0.00 C ATOM 1297 C MET A 78 115.944 2.291 5.692 1.00 0.00 C ATOM 1298 O MET A 78 116.880 2.450 6.448 1.00 0.00 O ATOM 1299 CB MET A 78 114.073 3.941 5.395 1.00 0.00 C ATOM 1300 CG MET A 78 113.977 5.455 5.211 1.00 0.00 C ATOM 1301 SD MET A 78 113.153 5.820 3.641 1.00 0.00 S ATOM 1302 CE MET A 78 111.494 6.072 4.313 1.00 0.00 C ATOM 0 H MET A 78 114.106 2.800 3.274 1.00 0.00 H new ATOM 0 HA MET A 78 116.165 4.225 4.841 1.00 0.00 H new ATOM 0 HB2 MET A 78 113.247 3.449 4.882 1.00 0.00 H new ATOM 0 HB3 MET A 78 113.989 3.687 6.452 1.00 0.00 H new ATOM 0 HG2 MET A 78 113.421 5.898 6.037 1.00 0.00 H new ATOM 0 HG3 MET A 78 114.973 5.898 5.223 1.00 0.00 H new ATOM 0 HE1 MET A 78 110.844 5.258 3.992 1.00 0.00 H new ATOM 0 HE2 MET A 78 111.541 6.091 5.402 1.00 0.00 H new ATOM 0 HE3 MET A 78 111.095 7.019 3.951 1.00 0.00 H new ATOM 1312 N THR A 79 115.356 1.132 5.570 1.00 0.00 N ATOM 1313 CA THR A 79 115.833 -0.032 6.369 1.00 0.00 C ATOM 1314 C THR A 79 117.307 -0.302 6.073 1.00 0.00 C ATOM 1315 O THR A 79 118.134 -0.327 6.961 1.00 0.00 O ATOM 1316 CB THR A 79 114.966 -1.208 5.915 1.00 0.00 C ATOM 1317 OG1 THR A 79 113.662 -1.069 6.461 1.00 0.00 O ATOM 1318 CG2 THR A 79 115.585 -2.520 6.396 1.00 0.00 C ATOM 0 H THR A 79 114.567 0.941 4.952 1.00 0.00 H new ATOM 0 HA THR A 79 115.751 0.140 7.442 1.00 0.00 H new ATOM 0 HB THR A 79 114.907 -1.217 4.827 1.00 0.00 H new ATOM 0 HG1 THR A 79 113.104 -1.820 6.170 1.00 0.00 H new ATOM 0 HG21 THR A 79 114.965 -3.356 6.071 1.00 0.00 H new ATOM 0 HG22 THR A 79 116.585 -2.626 5.976 1.00 0.00 H new ATOM 0 HG23 THR A 79 115.647 -2.516 7.484 1.00 0.00 H new ATOM 1326 N LEU A 80 117.641 -0.497 4.831 1.00 0.00 N ATOM 1327 CA LEU A 80 119.065 -0.756 4.480 1.00 0.00 C ATOM 1328 C LEU A 80 119.956 0.316 5.108 1.00 0.00 C ATOM 1329 O LEU A 80 120.855 0.023 5.868 1.00 0.00 O ATOM 1330 CB LEU A 80 119.122 -0.676 2.956 1.00 0.00 C ATOM 1331 CG LEU A 80 120.529 -1.041 2.485 1.00 0.00 C ATOM 1332 CD1 LEU A 80 120.920 -2.405 3.059 1.00 0.00 C ATOM 1333 CD2 LEU A 80 120.553 -1.105 0.956 1.00 0.00 C ATOM 0 H LEU A 80 116.992 -0.489 4.044 1.00 0.00 H new ATOM 0 HA LEU A 80 119.415 -1.721 4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 80 118.391 -1.355 2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 80 118.864 0.329 2.623 1.00 0.00 H new ATOM 0 HG LEU A 80 121.236 -0.286 2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 80 121.924 -2.667 2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 80 120.901 -2.360 4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 80 120.214 -3.161 2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 80 121.556 -1.365 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 80 119.847 -1.861 0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 80 120.273 -0.134 0.547 1.00 0.00 H new ATOM 1345 N MET A 81 119.709 1.558 4.800 1.00 0.00 N ATOM 1346 CA MET A 81 120.541 2.646 5.384 1.00 0.00 C ATOM 1347 C MET A 81 120.697 2.441 6.893 1.00 0.00 C ATOM 1348 O MET A 81 121.709 2.776 7.472 1.00 0.00 O ATOM 1349 CB MET A 81 119.770 3.934 5.091 1.00 0.00 C ATOM 1350 CG MET A 81 120.457 5.112 5.783 1.00 0.00 C ATOM 1351 SD MET A 81 120.746 6.434 4.581 1.00 0.00 S ATOM 1352 CE MET A 81 119.024 6.959 4.402 1.00 0.00 C ATOM 0 H MET A 81 118.968 1.867 4.170 1.00 0.00 H new ATOM 0 HA MET A 81 121.546 2.670 4.963 1.00 0.00 H new ATOM 0 HB2 MET A 81 119.726 4.107 4.016 1.00 0.00 H new ATOM 0 HB3 MET A 81 118.742 3.842 5.442 1.00 0.00 H new ATOM 0 HG2 MET A 81 119.837 5.479 6.601 1.00 0.00 H new ATOM 0 HG3 MET A 81 121.402 4.790 6.220 1.00 0.00 H new ATOM 0 HE1 MET A 81 118.960 7.747 3.652 1.00 0.00 H new ATOM 0 HE2 MET A 81 118.415 6.110 4.090 1.00 0.00 H new ATOM 0 HE3 MET A 81 118.658 7.336 5.357 1.00 0.00 H new ATOM 1362 N GLU A 82 119.702 1.892 7.534 1.00 0.00 N ATOM 1363 CA GLU A 82 119.796 1.669 9.006 1.00 0.00 C ATOM 1364 C GLU A 82 120.715 0.479 9.314 1.00 0.00 C ATOM 1365 O GLU A 82 121.787 0.636 9.864 1.00 0.00 O ATOM 1366 CB GLU A 82 118.364 1.369 9.451 1.00 0.00 C ATOM 1367 CG GLU A 82 118.072 2.100 10.764 1.00 0.00 C ATOM 1368 CD GLU A 82 117.130 1.252 11.620 1.00 0.00 C ATOM 1369 OE1 GLU A 82 116.344 0.516 11.049 1.00 0.00 O ATOM 1370 OE2 GLU A 82 117.212 1.354 12.834 1.00 0.00 O ATOM 0 H GLU A 82 118.829 1.588 7.103 1.00 0.00 H new ATOM 0 HA GLU A 82 120.216 2.531 9.525 1.00 0.00 H new ATOM 0 HB2 GLU A 82 117.659 1.686 8.682 1.00 0.00 H new ATOM 0 HB3 GLU A 82 118.231 0.295 9.583 1.00 0.00 H new ATOM 0 HG2 GLU A 82 119.001 2.287 11.303 1.00 0.00 H new ATOM 0 HG3 GLU A 82 117.620 3.071 10.560 1.00 0.00 H new ATOM 1377 N TYR A 83 120.298 -0.708 8.967 1.00 0.00 N ATOM 1378 CA TYR A 83 121.134 -1.912 9.238 1.00 0.00 C ATOM 1379 C TYR A 83 122.614 -1.626 8.966 1.00 0.00 C ATOM 1380 O TYR A 83 123.486 -2.107 9.661 1.00 0.00 O ATOM 1381 CB TYR A 83 120.613 -2.969 8.268 1.00 0.00 C ATOM 1382 CG TYR A 83 121.282 -4.286 8.560 1.00 0.00 C ATOM 1383 CD1 TYR A 83 122.520 -4.583 7.983 1.00 0.00 C ATOM 1384 CD2 TYR A 83 120.665 -5.206 9.413 1.00 0.00 C ATOM 1385 CE1 TYR A 83 123.144 -5.806 8.259 1.00 0.00 C ATOM 1386 CE2 TYR A 83 121.286 -6.430 9.689 1.00 0.00 C ATOM 1387 CZ TYR A 83 122.527 -6.730 9.112 1.00 0.00 C ATOM 1388 OH TYR A 83 123.140 -7.936 9.383 1.00 0.00 O ATOM 0 H TYR A 83 119.409 -0.897 8.505 1.00 0.00 H new ATOM 0 HA TYR A 83 121.067 -2.228 10.279 1.00 0.00 H new ATOM 0 HB2 TYR A 83 119.532 -3.068 8.366 1.00 0.00 H new ATOM 0 HB3 TYR A 83 120.814 -2.666 7.240 1.00 0.00 H new ATOM 0 HD1 TYR A 83 122.995 -3.870 7.325 1.00 0.00 H new ATOM 0 HD2 TYR A 83 119.709 -4.972 9.859 1.00 0.00 H new ATOM 0 HE1 TYR A 83 124.101 -6.037 7.814 1.00 0.00 H new ATOM 0 HE2 TYR A 83 120.809 -7.142 10.346 1.00 0.00 H new ATOM 0 HH TYR A 83 122.887 -8.237 10.281 1.00 0.00 H new ATOM 1398 N LEU A 84 122.905 -0.857 7.953 1.00 0.00 N ATOM 1399 CA LEU A 84 124.329 -0.555 7.631 1.00 0.00 C ATOM 1400 C LEU A 84 124.896 0.475 8.614 1.00 0.00 C ATOM 1401 O LEU A 84 126.024 0.372 9.052 1.00 0.00 O ATOM 1402 CB LEU A 84 124.298 0.001 6.206 1.00 0.00 C ATOM 1403 CG LEU A 84 123.545 -0.976 5.298 1.00 0.00 C ATOM 1404 CD1 LEU A 84 123.408 -0.384 3.893 1.00 0.00 C ATOM 1405 CD2 LEU A 84 124.315 -2.297 5.220 1.00 0.00 C ATOM 0 H LEU A 84 122.219 -0.425 7.334 1.00 0.00 H new ATOM 0 HA LEU A 84 124.968 -1.434 7.709 1.00 0.00 H new ATOM 0 HB2 LEU A 84 123.810 0.976 6.194 1.00 0.00 H new ATOM 0 HB3 LEU A 84 125.314 0.148 5.838 1.00 0.00 H new ATOM 0 HG LEU A 84 122.552 -1.154 5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 84 122.871 -1.085 3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 84 122.856 0.555 3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 84 124.399 -0.199 3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 84 123.780 -2.993 4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 84 125.309 -2.115 4.812 1.00 0.00 H new ATOM 0 HD23 LEU A 84 124.405 -2.725 6.218 1.00 0.00 H new ATOM 1417 N ILE A 85 124.126 1.466 8.969 1.00 0.00 N ATOM 1418 CA ILE A 85 124.631 2.494 9.927 1.00 0.00 C ATOM 1419 C ILE A 85 125.159 1.819 11.197 1.00 0.00 C ATOM 1420 O ILE A 85 126.024 2.338 11.873 1.00 0.00 O ATOM 1421 CB ILE A 85 123.416 3.373 10.240 1.00 0.00 C ATOM 1422 CG1 ILE A 85 123.224 4.393 9.116 1.00 0.00 C ATOM 1423 CG2 ILE A 85 123.633 4.116 11.560 1.00 0.00 C ATOM 1424 CD1 ILE A 85 121.828 5.008 9.219 1.00 0.00 C ATOM 0 H ILE A 85 123.172 1.610 8.639 1.00 0.00 H new ATOM 0 HA ILE A 85 125.456 3.076 9.516 1.00 0.00 H new ATOM 0 HB ILE A 85 122.532 2.741 10.323 1.00 0.00 H new ATOM 0 HG12 ILE A 85 123.983 5.173 9.185 1.00 0.00 H new ATOM 0 HG13 ILE A 85 123.350 3.910 8.147 1.00 0.00 H new ATOM 0 HG21 ILE A 85 122.764 4.738 11.774 1.00 0.00 H new ATOM 0 HG22 ILE A 85 123.770 3.394 12.365 1.00 0.00 H new ATOM 0 HG23 ILE A 85 124.520 4.745 11.482 1.00 0.00 H new ATOM 0 HD11 ILE A 85 121.691 5.735 8.418 1.00 0.00 H new ATOM 0 HD12 ILE A 85 121.077 4.223 9.129 1.00 0.00 H new ATOM 0 HD13 ILE A 85 121.720 5.505 10.183 1.00 0.00 H new ATOM 1436 N LYS A 86 124.644 0.667 11.529 1.00 0.00 N ATOM 1437 CA LYS A 86 125.117 -0.034 12.757 1.00 0.00 C ATOM 1438 C LYS A 86 126.280 -0.973 12.422 1.00 0.00 C ATOM 1439 O LYS A 86 127.423 -0.690 12.721 1.00 0.00 O ATOM 1440 CB LYS A 86 123.908 -0.830 13.247 1.00 0.00 C ATOM 1441 CG LYS A 86 124.274 -1.572 14.534 1.00 0.00 C ATOM 1442 CD LYS A 86 124.480 -3.056 14.225 1.00 0.00 C ATOM 1443 CE LYS A 86 123.884 -3.901 15.353 1.00 0.00 C ATOM 1444 NZ LYS A 86 124.797 -5.070 15.483 1.00 0.00 N ATOM 0 H LYS A 86 123.917 0.181 11.004 1.00 0.00 H new ATOM 0 HA LYS A 86 125.483 0.661 13.513 1.00 0.00 H new ATOM 0 HB2 LYS A 86 123.067 -0.160 13.427 1.00 0.00 H new ATOM 0 HB3 LYS A 86 123.592 -1.540 12.482 1.00 0.00 H new ATOM 0 HG2 LYS A 86 125.182 -1.150 14.964 1.00 0.00 H new ATOM 0 HG3 LYS A 86 123.483 -1.450 15.274 1.00 0.00 H new ATOM 0 HD2 LYS A 86 124.006 -3.310 13.277 1.00 0.00 H new ATOM 0 HD3 LYS A 86 125.543 -3.272 14.118 1.00 0.00 H new ATOM 0 HE2 LYS A 86 123.831 -3.336 16.284 1.00 0.00 H new ATOM 0 HE3 LYS A 86 122.869 -4.218 15.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 124.453 -5.697 16.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 124.822 -5.593 14.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 125.754 -4.738 15.717 1.00 0.00 H new ATOM 1458 N THR A 87 125.998 -2.087 11.805 1.00 0.00 N ATOM 1459 CA THR A 87 127.089 -3.042 11.456 1.00 0.00 C ATOM 1460 C THR A 87 127.715 -2.666 10.110 1.00 0.00 C ATOM 1461 O THR A 87 128.837 -3.026 9.814 1.00 0.00 O ATOM 1462 CB THR A 87 126.407 -4.408 11.368 1.00 0.00 C ATOM 1463 OG1 THR A 87 127.396 -5.428 11.315 1.00 0.00 O ATOM 1464 CG2 THR A 87 125.543 -4.468 10.107 1.00 0.00 C ATOM 0 H THR A 87 125.061 -2.378 11.527 1.00 0.00 H new ATOM 0 HA THR A 87 127.894 -3.034 12.191 1.00 0.00 H new ATOM 0 HB THR A 87 125.778 -4.557 12.245 1.00 0.00 H new ATOM 0 HG1 THR A 87 126.960 -6.304 11.260 1.00 0.00 H new ATOM 0 HG21 THR A 87 125.057 -5.442 10.045 1.00 0.00 H new ATOM 0 HG22 THR A 87 124.785 -3.686 10.148 1.00 0.00 H new ATOM 0 HG23 THR A 87 126.171 -4.319 9.228 1.00 0.00 H new ATOM 1472 N GLY A 88 126.999 -1.946 9.291 1.00 0.00 N ATOM 1473 CA GLY A 88 127.555 -1.550 7.966 1.00 0.00 C ATOM 1474 C GLY A 88 129.003 -1.083 8.134 1.00 0.00 C ATOM 1475 O GLY A 88 129.933 -1.777 7.777 1.00 0.00 O ATOM 0 H GLY A 88 126.053 -1.615 9.482 1.00 0.00 H new ATOM 0 HA2 GLY A 88 127.512 -2.393 7.276 1.00 0.00 H new ATOM 0 HA3 GLY A 88 126.953 -0.752 7.532 1.00 0.00 H new ATOM 1479 N SER A 89 129.203 0.088 8.675 1.00 0.00 N ATOM 1480 CA SER A 89 130.593 0.594 8.862 1.00 0.00 C ATOM 1481 C SER A 89 130.569 2.051 9.331 1.00 0.00 C ATOM 1482 O SER A 89 129.584 2.747 9.177 1.00 0.00 O ATOM 1483 CB SER A 89 131.243 0.487 7.485 1.00 0.00 C ATOM 1484 OG SER A 89 132.343 1.384 7.414 1.00 0.00 O ATOM 0 H SER A 89 128.465 0.715 8.995 1.00 0.00 H new ATOM 0 HA SER A 89 131.139 0.027 9.616 1.00 0.00 H new ATOM 0 HB2 SER A 89 131.580 -0.534 7.308 1.00 0.00 H new ATOM 0 HB3 SER A 89 130.516 0.723 6.708 1.00 0.00 H new ATOM 0 HG SER A 89 132.764 1.316 6.531 1.00 0.00 H new ATOM 1490 N GLU A 90 131.646 2.518 9.901 1.00 0.00 N ATOM 1491 CA GLU A 90 131.686 3.929 10.377 1.00 0.00 C ATOM 1492 C GLU A 90 131.409 4.884 9.214 1.00 0.00 C ATOM 1493 O GLU A 90 131.047 6.028 9.409 1.00 0.00 O ATOM 1494 CB GLU A 90 133.106 4.130 10.906 1.00 0.00 C ATOM 1495 CG GLU A 90 133.093 4.079 12.436 1.00 0.00 C ATOM 1496 CD GLU A 90 133.184 5.499 12.994 1.00 0.00 C ATOM 1497 OE1 GLU A 90 134.222 6.117 12.820 1.00 0.00 O ATOM 1498 OE2 GLU A 90 132.216 5.945 13.587 1.00 0.00 O ATOM 0 H GLU A 90 132.500 1.983 10.058 1.00 0.00 H new ATOM 0 HA GLU A 90 130.935 4.129 11.141 1.00 0.00 H new ATOM 0 HB2 GLU A 90 133.765 3.357 10.511 1.00 0.00 H new ATOM 0 HB3 GLU A 90 133.500 5.088 10.567 1.00 0.00 H new ATOM 0 HG2 GLU A 90 132.181 3.597 12.787 1.00 0.00 H new ATOM 0 HG3 GLU A 90 133.929 3.480 12.798 1.00 0.00 H new ATOM 1505 N ARG A 91 131.575 4.423 8.005 1.00 0.00 N ATOM 1506 CA ARG A 91 131.321 5.303 6.829 1.00 0.00 C ATOM 1507 C ARG A 91 129.816 5.449 6.594 1.00 0.00 C ATOM 1508 O ARG A 91 129.332 6.507 6.243 1.00 0.00 O ATOM 1509 CB ARG A 91 131.982 4.587 5.651 1.00 0.00 C ATOM 1510 CG ARG A 91 133.473 4.399 5.940 1.00 0.00 C ATOM 1511 CD ARG A 91 134.274 4.624 4.656 1.00 0.00 C ATOM 1512 NE ARG A 91 135.576 5.186 5.110 1.00 0.00 N ATOM 1513 CZ ARG A 91 135.874 6.431 4.858 1.00 0.00 C ATOM 1514 NH1 ARG A 91 135.813 6.881 3.634 1.00 0.00 N ATOM 1515 NH2 ARG A 91 136.233 7.226 5.828 1.00 0.00 N ATOM 0 H ARG A 91 131.876 3.475 7.780 1.00 0.00 H new ATOM 0 HA ARG A 91 131.718 6.308 6.970 1.00 0.00 H new ATOM 0 HB2 ARG A 91 131.508 3.619 5.487 1.00 0.00 H new ATOM 0 HB3 ARG A 91 131.848 5.167 4.738 1.00 0.00 H new ATOM 0 HG2 ARG A 91 133.796 5.099 6.710 1.00 0.00 H new ATOM 0 HG3 ARG A 91 133.656 3.396 6.324 1.00 0.00 H new ATOM 0 HD2 ARG A 91 134.415 3.691 4.110 1.00 0.00 H new ATOM 0 HD3 ARG A 91 133.759 5.312 3.985 1.00 0.00 H new ATOM 0 HE ARG A 91 136.236 4.597 5.618 1.00 0.00 H new ATOM 0 HH11 ARG A 91 135.533 6.259 2.875 1.00 0.00 H new ATOM 0 HH12 ARG A 91 136.046 7.854 3.436 1.00 0.00 H new ATOM 0 HH21 ARG A 91 136.281 6.874 6.784 1.00 0.00 H new ATOM 0 HH22 ARG A 91 136.466 8.199 5.630 1.00 0.00 H new ATOM 1529 N VAL A 92 129.073 4.395 6.786 1.00 0.00 N ATOM 1530 CA VAL A 92 127.600 4.474 6.575 1.00 0.00 C ATOM 1531 C VAL A 92 126.990 5.520 7.512 1.00 0.00 C ATOM 1532 O VAL A 92 125.976 6.119 7.213 1.00 0.00 O ATOM 1533 CB VAL A 92 127.074 3.079 6.911 1.00 0.00 C ATOM 1534 CG1 VAL A 92 125.545 3.091 6.877 1.00 0.00 C ATOM 1535 CG2 VAL A 92 127.598 2.075 5.880 1.00 0.00 C ATOM 0 H VAL A 92 129.421 3.483 7.080 1.00 0.00 H new ATOM 0 HA VAL A 92 127.343 4.769 5.558 1.00 0.00 H new ATOM 0 HB VAL A 92 127.415 2.791 7.906 1.00 0.00 H new ATOM 0 HG11 VAL A 92 125.168 2.097 7.116 1.00 0.00 H new ATOM 0 HG12 VAL A 92 125.170 3.807 7.609 1.00 0.00 H new ATOM 0 HG13 VAL A 92 125.205 3.378 5.882 1.00 0.00 H new ATOM 0 HG21 VAL A 92 127.224 1.080 6.119 1.00 0.00 H new ATOM 0 HG22 VAL A 92 127.256 2.363 4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 92 128.688 2.067 5.901 1.00 0.00 H new ATOM 1545 N SER A 93 127.601 5.746 8.643 1.00 0.00 N ATOM 1546 CA SER A 93 127.058 6.754 9.596 1.00 0.00 C ATOM 1547 C SER A 93 127.579 8.149 9.242 1.00 0.00 C ATOM 1548 O SER A 93 126.866 9.129 9.329 1.00 0.00 O ATOM 1549 CB SER A 93 127.575 6.323 10.968 1.00 0.00 C ATOM 1550 OG SER A 93 128.777 7.022 11.257 1.00 0.00 O ATOM 0 H SER A 93 128.453 5.276 8.948 1.00 0.00 H new ATOM 0 HA SER A 93 125.969 6.803 9.568 1.00 0.00 H new ATOM 0 HB2 SER A 93 126.827 6.531 11.733 1.00 0.00 H new ATOM 0 HB3 SER A 93 127.754 5.248 10.981 1.00 0.00 H new ATOM 0 HG SER A 93 129.499 6.678 10.691 1.00 0.00 H new ATOM 1556 N GLN A 94 128.817 8.245 8.841 1.00 0.00 N ATOM 1557 CA GLN A 94 129.380 9.576 8.479 1.00 0.00 C ATOM 1558 C GLN A 94 128.562 10.199 7.350 1.00 0.00 C ATOM 1559 O GLN A 94 128.030 11.284 7.478 1.00 0.00 O ATOM 1560 CB GLN A 94 130.807 9.291 8.013 1.00 0.00 C ATOM 1561 CG GLN A 94 131.697 9.021 9.228 1.00 0.00 C ATOM 1562 CD GLN A 94 132.934 8.233 8.791 1.00 0.00 C ATOM 1563 OE1 GLN A 94 133.291 7.251 9.409 1.00 0.00 O ATOM 1564 NE2 GLN A 94 133.606 8.627 7.744 1.00 0.00 N ATOM 0 H GLN A 94 129.462 7.460 8.749 1.00 0.00 H new ATOM 0 HA GLN A 94 129.359 10.276 9.314 1.00 0.00 H new ATOM 0 HB2 GLN A 94 130.817 8.431 7.343 1.00 0.00 H new ATOM 0 HB3 GLN A 94 131.193 10.140 7.448 1.00 0.00 H new ATOM 0 HG2 GLN A 94 131.997 9.962 9.689 1.00 0.00 H new ATOM 0 HG3 GLN A 94 131.143 8.460 9.980 1.00 0.00 H new ATOM 0 HE21 GLN A 94 133.305 9.452 7.226 1.00 0.00 H new ATOM 0 HE22 GLN A 94 134.432 8.110 7.444 1.00 0.00 H new ATOM 1573 N GLN A 95 128.455 9.517 6.246 1.00 0.00 N ATOM 1574 CA GLN A 95 127.666 10.064 5.108 1.00 0.00 C ATOM 1575 C GLN A 95 126.266 10.455 5.586 1.00 0.00 C ATOM 1576 O GLN A 95 125.697 11.429 5.137 1.00 0.00 O ATOM 1577 CB GLN A 95 127.589 8.924 4.091 1.00 0.00 C ATOM 1578 CG GLN A 95 126.836 9.398 2.847 1.00 0.00 C ATOM 1579 CD GLN A 95 127.822 9.574 1.690 1.00 0.00 C ATOM 1580 OE1 GLN A 95 128.395 10.632 1.521 1.00 0.00 O ATOM 1581 NE2 GLN A 95 128.045 8.574 0.882 1.00 0.00 N ATOM 0 H GLN A 95 128.880 8.604 6.082 1.00 0.00 H new ATOM 0 HA GLN A 95 128.120 10.957 4.679 1.00 0.00 H new ATOM 0 HB2 GLN A 95 128.593 8.597 3.819 1.00 0.00 H new ATOM 0 HB3 GLN A 95 127.082 8.065 4.530 1.00 0.00 H new ATOM 0 HG2 GLN A 95 126.067 8.674 2.577 1.00 0.00 H new ATOM 0 HG3 GLN A 95 126.329 10.340 3.053 1.00 0.00 H new ATOM 0 HE21 GLN A 95 127.564 7.686 1.024 1.00 0.00 H new ATOM 0 HE22 GLN A 95 128.701 8.680 0.108 1.00 0.00 H new ATOM 1590 N CYS A 96 125.711 9.706 6.500 1.00 0.00 N ATOM 1591 CA CYS A 96 124.353 10.045 7.009 1.00 0.00 C ATOM 1592 C CYS A 96 124.366 11.442 7.625 1.00 0.00 C ATOM 1593 O CYS A 96 123.479 12.242 7.399 1.00 0.00 O ATOM 1594 CB CYS A 96 124.048 8.987 8.069 1.00 0.00 C ATOM 1595 SG CYS A 96 122.831 7.818 7.415 1.00 0.00 S ATOM 0 H CYS A 96 126.138 8.877 6.914 1.00 0.00 H new ATOM 0 HA CYS A 96 123.600 10.050 6.220 1.00 0.00 H new ATOM 0 HB2 CYS A 96 124.961 8.461 8.348 1.00 0.00 H new ATOM 0 HB3 CYS A 96 123.665 9.461 8.973 1.00 0.00 H new ATOM 0 HG CYS A 96 123.300 6.609 7.504 1.00 0.00 H new ATOM 1601 N LYS A 97 125.376 11.748 8.390 1.00 0.00 N ATOM 1602 CA LYS A 97 125.459 13.100 9.010 1.00 0.00 C ATOM 1603 C LYS A 97 125.658 14.147 7.915 1.00 0.00 C ATOM 1604 O LYS A 97 125.140 15.245 7.984 1.00 0.00 O ATOM 1605 CB LYS A 97 126.678 13.045 9.930 1.00 0.00 C ATOM 1606 CG LYS A 97 126.731 14.312 10.787 1.00 0.00 C ATOM 1607 CD LYS A 97 126.071 14.042 12.140 1.00 0.00 C ATOM 1608 CE LYS A 97 125.704 15.371 12.803 1.00 0.00 C ATOM 1609 NZ LYS A 97 124.451 15.090 13.559 1.00 0.00 N ATOM 0 H LYS A 97 126.148 11.120 8.613 1.00 0.00 H new ATOM 0 HA LYS A 97 124.556 13.367 9.559 1.00 0.00 H new ATOM 0 HB2 LYS A 97 126.625 12.163 10.569 1.00 0.00 H new ATOM 0 HB3 LYS A 97 127.589 12.955 9.338 1.00 0.00 H new ATOM 0 HG2 LYS A 97 127.766 14.623 10.931 1.00 0.00 H new ATOM 0 HG3 LYS A 97 126.220 15.129 10.278 1.00 0.00 H new ATOM 0 HD2 LYS A 97 125.178 13.432 12.006 1.00 0.00 H new ATOM 0 HD3 LYS A 97 126.749 13.478 12.781 1.00 0.00 H new ATOM 0 HE2 LYS A 97 126.498 15.713 13.467 1.00 0.00 H new ATOM 0 HE3 LYS A 97 125.550 16.154 12.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 124.136 15.955 14.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 123.712 14.772 12.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 124.630 14.346 14.263 1.00 0.00 H new ATOM 1623 N GLU A 98 126.398 13.806 6.898 1.00 0.00 N ATOM 1624 CA GLU A 98 126.631 14.764 5.782 1.00 0.00 C ATOM 1625 C GLU A 98 125.431 14.752 4.832 1.00 0.00 C ATOM 1626 O GLU A 98 125.310 15.581 3.952 1.00 0.00 O ATOM 1627 CB GLU A 98 127.884 14.248 5.075 1.00 0.00 C ATOM 1628 CG GLU A 98 129.002 14.050 6.099 1.00 0.00 C ATOM 1629 CD GLU A 98 130.279 14.729 5.601 1.00 0.00 C ATOM 1630 OE1 GLU A 98 130.886 14.206 4.680 1.00 0.00 O ATOM 1631 OE2 GLU A 98 130.629 15.762 6.148 1.00 0.00 O ATOM 0 H GLU A 98 126.854 12.900 6.791 1.00 0.00 H new ATOM 0 HA GLU A 98 126.756 15.790 6.128 1.00 0.00 H new ATOM 0 HB2 GLU A 98 127.668 13.307 4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 98 128.200 14.956 4.308 1.00 0.00 H new ATOM 0 HG2 GLU A 98 128.706 14.469 7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 98 129.181 12.986 6.256 1.00 0.00 H new ATOM 1638 N ASN A 99 124.541 13.815 5.011 1.00 0.00 N ATOM 1639 CA ASN A 99 123.343 13.737 4.134 1.00 0.00 C ATOM 1640 C ASN A 99 122.095 13.483 4.981 1.00 0.00 C ATOM 1641 O ASN A 99 121.123 12.920 4.520 1.00 0.00 O ATOM 1642 CB ASN A 99 123.610 12.557 3.198 1.00 0.00 C ATOM 1643 CG ASN A 99 124.636 12.967 2.140 1.00 0.00 C ATOM 1644 OD1 ASN A 99 125.783 12.573 2.206 1.00 0.00 O ATOM 1645 ND2 ASN A 99 124.269 13.745 1.158 1.00 0.00 N ATOM 0 H ASN A 99 124.594 13.096 5.733 1.00 0.00 H new ATOM 0 HA ASN A 99 123.172 14.660 3.580 1.00 0.00 H new ATOM 0 HB2 ASN A 99 123.980 11.704 3.767 1.00 0.00 H new ATOM 0 HB3 ASN A 99 122.683 12.243 2.718 1.00 0.00 H new ATOM 0 HD21 ASN A 99 124.945 14.022 0.446 1.00 0.00 H new ATOM 0 HD22 ASN A 99 123.306 14.076 1.102 1.00 0.00 H new ATOM 1652 N MET A 100 122.117 13.896 6.219 1.00 0.00 N ATOM 1653 CA MET A 100 120.933 13.681 7.099 1.00 0.00 C ATOM 1654 C MET A 100 119.718 14.413 6.526 1.00 0.00 C ATOM 1655 O MET A 100 118.591 13.997 6.703 1.00 0.00 O ATOM 1656 CB MET A 100 121.326 14.271 8.453 1.00 0.00 C ATOM 1657 CG MET A 100 120.996 13.271 9.563 1.00 0.00 C ATOM 1658 SD MET A 100 122.218 13.414 10.890 1.00 0.00 S ATOM 1659 CE MET A 100 122.608 11.652 11.028 1.00 0.00 C ATOM 0 H MET A 100 122.904 14.373 6.659 1.00 0.00 H new ATOM 0 HA MET A 100 120.665 12.628 7.181 1.00 0.00 H new ATOM 0 HB2 MET A 100 122.391 14.504 8.464 1.00 0.00 H new ATOM 0 HB3 MET A 100 120.793 15.207 8.622 1.00 0.00 H new ATOM 0 HG2 MET A 100 119.996 13.462 9.953 1.00 0.00 H new ATOM 0 HG3 MET A 100 120.994 12.257 9.164 1.00 0.00 H new ATOM 0 HE1 MET A 100 123.203 11.480 11.925 1.00 0.00 H new ATOM 0 HE2 MET A 100 121.683 11.078 11.091 1.00 0.00 H new ATOM 0 HE3 MET A 100 123.173 11.335 10.151 1.00 0.00 H new ATOM 1669 N TYR A 101 119.940 15.498 5.837 1.00 0.00 N ATOM 1670 CA TYR A 101 118.797 16.252 5.250 1.00 0.00 C ATOM 1671 C TYR A 101 117.995 15.338 4.321 1.00 0.00 C ATOM 1672 O TYR A 101 116.811 15.522 4.119 1.00 0.00 O ATOM 1673 CB TYR A 101 119.435 17.396 4.461 1.00 0.00 C ATOM 1674 CG TYR A 101 120.445 18.107 5.330 1.00 0.00 C ATOM 1675 CD1 TYR A 101 120.025 18.783 6.482 1.00 0.00 C ATOM 1676 CD2 TYR A 101 121.801 18.091 4.983 1.00 0.00 C ATOM 1677 CE1 TYR A 101 120.962 19.444 7.287 1.00 0.00 C ATOM 1678 CE2 TYR A 101 122.737 18.751 5.787 1.00 0.00 C ATOM 1679 CZ TYR A 101 122.318 19.427 6.939 1.00 0.00 C ATOM 1680 OH TYR A 101 123.241 20.079 7.731 1.00 0.00 O ATOM 0 H TYR A 101 120.862 15.895 5.655 1.00 0.00 H new ATOM 0 HA TYR A 101 118.109 16.622 6.010 1.00 0.00 H new ATOM 0 HB2 TYR A 101 119.920 17.008 3.565 1.00 0.00 H new ATOM 0 HB3 TYR A 101 118.668 18.096 4.130 1.00 0.00 H new ATOM 0 HD1 TYR A 101 118.979 18.795 6.750 1.00 0.00 H new ATOM 0 HD2 TYR A 101 122.125 17.569 4.095 1.00 0.00 H new ATOM 0 HE1 TYR A 101 120.639 19.966 8.175 1.00 0.00 H new ATOM 0 HE2 TYR A 101 123.783 18.739 5.519 1.00 0.00 H new ATOM 0 HH TYR A 101 124.136 19.968 7.349 1.00 0.00 H new ATOM 1690 N ALA A 102 118.636 14.352 3.756 1.00 0.00 N ATOM 1691 CA ALA A 102 117.918 13.419 2.842 1.00 0.00 C ATOM 1692 C ALA A 102 116.988 12.510 3.646 1.00 0.00 C ATOM 1693 O ALA A 102 115.869 12.245 3.257 1.00 0.00 O ATOM 1694 CB ALA A 102 119.021 12.601 2.168 1.00 0.00 C ATOM 0 H ALA A 102 119.627 14.152 3.888 1.00 0.00 H new ATOM 0 HA ALA A 102 117.299 13.943 2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 102 118.574 11.887 1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 102 119.686 13.269 1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 102 119.590 12.063 2.926 1.00 0.00 H new ATOM 1700 N VAL A 103 117.446 12.034 4.769 1.00 0.00 N ATOM 1701 CA VAL A 103 116.594 11.144 5.607 1.00 0.00 C ATOM 1702 C VAL A 103 115.553 11.976 6.361 1.00 0.00 C ATOM 1703 O VAL A 103 114.544 11.471 6.810 1.00 0.00 O ATOM 1704 CB VAL A 103 117.555 10.472 6.588 1.00 0.00 C ATOM 1705 CG1 VAL A 103 116.882 9.242 7.198 1.00 0.00 C ATOM 1706 CG2 VAL A 103 118.825 10.043 5.847 1.00 0.00 C ATOM 0 H VAL A 103 118.375 12.223 5.144 1.00 0.00 H new ATOM 0 HA VAL A 103 116.050 10.412 5.010 1.00 0.00 H new ATOM 0 HB VAL A 103 117.816 11.175 7.379 1.00 0.00 H new ATOM 0 HG11 VAL A 103 117.566 8.762 7.898 1.00 0.00 H new ATOM 0 HG12 VAL A 103 115.978 9.546 7.726 1.00 0.00 H new ATOM 0 HG13 VAL A 103 116.621 8.540 6.406 1.00 0.00 H new ATOM 0 HG21 VAL A 103 119.510 9.564 6.546 1.00 0.00 H new ATOM 0 HG22 VAL A 103 118.565 9.340 5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 103 119.305 10.919 5.411 1.00 0.00 H new ATOM 1716 N GLN A 104 115.792 13.252 6.500 1.00 0.00 N ATOM 1717 CA GLN A 104 114.821 14.120 7.220 1.00 0.00 C ATOM 1718 C GLN A 104 113.814 14.715 6.233 1.00 0.00 C ATOM 1719 O GLN A 104 112.716 15.083 6.598 1.00 0.00 O ATOM 1720 CB GLN A 104 115.669 15.225 7.853 1.00 0.00 C ATOM 1721 CG GLN A 104 116.571 14.621 8.933 1.00 0.00 C ATOM 1722 CD GLN A 104 116.638 15.568 10.133 1.00 0.00 C ATOM 1723 OE1 GLN A 104 117.706 15.858 10.632 1.00 0.00 O ATOM 1724 NE2 GLN A 104 115.534 16.065 10.622 1.00 0.00 N ATOM 0 H GLN A 104 116.620 13.730 6.145 1.00 0.00 H new ATOM 0 HA GLN A 104 114.248 13.569 7.966 1.00 0.00 H new ATOM 0 HB2 GLN A 104 116.275 15.715 7.091 1.00 0.00 H new ATOM 0 HB3 GLN A 104 115.024 15.989 8.288 1.00 0.00 H new ATOM 0 HG2 GLN A 104 116.184 13.651 9.244 1.00 0.00 H new ATOM 0 HG3 GLN A 104 117.571 14.452 8.534 1.00 0.00 H new ATOM 0 HE21 GLN A 104 114.636 15.822 10.204 1.00 0.00 H new ATOM 0 HE22 GLN A 104 115.570 16.696 11.422 1.00 0.00 H new ATOM 1733 N THR A 105 114.179 14.809 4.983 1.00 0.00 N ATOM 1734 CA THR A 105 113.240 15.378 3.974 1.00 0.00 C ATOM 1735 C THR A 105 112.159 14.353 3.625 1.00 0.00 C ATOM 1736 O THR A 105 111.078 14.699 3.194 1.00 0.00 O ATOM 1737 CB THR A 105 114.108 15.684 2.751 1.00 0.00 C ATOM 1738 OG1 THR A 105 113.382 16.511 1.853 1.00 0.00 O ATOM 1739 CG2 THR A 105 114.487 14.377 2.052 1.00 0.00 C ATOM 0 H THR A 105 115.085 14.517 4.617 1.00 0.00 H new ATOM 0 HA THR A 105 112.728 16.268 4.340 1.00 0.00 H new ATOM 0 HB THR A 105 115.015 16.199 3.068 1.00 0.00 H new ATOM 0 HG1 THR A 105 113.937 16.709 1.070 1.00 0.00 H new ATOM 0 HG21 THR A 105 115.105 14.596 1.181 1.00 0.00 H new ATOM 0 HG22 THR A 105 115.044 13.743 2.742 1.00 0.00 H new ATOM 0 HG23 THR A 105 113.582 13.859 1.734 1.00 0.00 H new ATOM 1747 N LEU A 106 112.443 13.092 3.809 1.00 0.00 N ATOM 1748 CA LEU A 106 111.429 12.049 3.489 1.00 0.00 C ATOM 1749 C LEU A 106 110.182 12.250 4.353 1.00 0.00 C ATOM 1750 O LEU A 106 109.065 12.150 3.883 1.00 0.00 O ATOM 1751 CB LEU A 106 112.109 10.721 3.823 1.00 0.00 C ATOM 1752 CG LEU A 106 112.763 10.152 2.564 1.00 0.00 C ATOM 1753 CD1 LEU A 106 113.451 8.827 2.897 1.00 0.00 C ATOM 1754 CD2 LEU A 106 111.690 9.918 1.497 1.00 0.00 C ATOM 0 H LEU A 106 113.331 12.740 4.166 1.00 0.00 H new ATOM 0 HA LEU A 106 111.105 12.088 2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 106 112.859 10.870 4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 106 111.378 10.015 4.217 1.00 0.00 H new ATOM 0 HG LEU A 106 113.504 10.858 2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 106 113.917 8.423 1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 106 114.214 8.994 3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 106 112.713 8.118 3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 106 112.153 9.512 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 106 110.950 9.212 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 106 111.202 10.863 1.259 1.00 0.00 H new ATOM 1766 N LYS A 107 110.362 12.537 5.614 1.00 0.00 N ATOM 1767 CA LYS A 107 109.184 12.749 6.503 1.00 0.00 C ATOM 1768 C LYS A 107 108.334 13.911 5.979 1.00 0.00 C ATOM 1769 O LYS A 107 107.158 14.012 6.265 1.00 0.00 O ATOM 1770 CB LYS A 107 109.774 13.091 7.873 1.00 0.00 C ATOM 1771 CG LYS A 107 110.330 14.515 7.851 1.00 0.00 C ATOM 1772 CD LYS A 107 109.252 15.490 8.331 1.00 0.00 C ATOM 1773 CE LYS A 107 109.744 16.223 9.581 1.00 0.00 C ATOM 1774 NZ LYS A 107 108.626 16.105 10.558 1.00 0.00 N ATOM 0 H LYS A 107 111.271 12.634 6.066 1.00 0.00 H new ATOM 0 HA LYS A 107 108.537 11.873 6.548 1.00 0.00 H new ATOM 0 HB2 LYS A 107 109.008 13.001 8.643 1.00 0.00 H new ATOM 0 HB3 LYS A 107 110.565 12.385 8.126 1.00 0.00 H new ATOM 0 HG2 LYS A 107 111.209 14.584 8.492 1.00 0.00 H new ATOM 0 HG3 LYS A 107 110.649 14.777 6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 107 109.020 16.207 7.544 1.00 0.00 H new ATOM 0 HD3 LYS A 107 108.331 14.950 8.552 1.00 0.00 H new ATOM 0 HE2 LYS A 107 110.658 15.773 9.969 1.00 0.00 H new ATOM 0 HE3 LYS A 107 109.971 17.267 9.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 108.887 16.584 11.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 107.772 16.548 10.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 108.438 15.100 10.750 1.00 0.00 H new ATOM 1987 N VAL A 121 103.119 7.275 4.627 1.00 0.00 N ATOM 1988 CA VAL A 121 103.501 7.380 6.066 1.00 0.00 C ATOM 1989 C VAL A 121 104.752 6.544 6.366 1.00 0.00 C ATOM 1990 O VAL A 121 105.822 7.075 6.590 1.00 0.00 O ATOM 1991 CB VAL A 121 102.292 6.824 6.818 1.00 0.00 C ATOM 1992 CG1 VAL A 121 102.711 6.389 8.222 1.00 0.00 C ATOM 1993 CG2 VAL A 121 101.216 7.906 6.912 1.00 0.00 C ATOM 0 HA VAL A 121 103.743 8.403 6.355 1.00 0.00 H new ATOM 0 HB VAL A 121 101.896 5.961 6.283 1.00 0.00 H new ATOM 0 HG11 VAL A 121 101.846 5.993 8.754 1.00 0.00 H new ATOM 0 HG12 VAL A 121 103.477 5.617 8.150 1.00 0.00 H new ATOM 0 HG13 VAL A 121 103.110 7.246 8.765 1.00 0.00 H new ATOM 0 HG21 VAL A 121 100.352 7.514 7.448 1.00 0.00 H new ATOM 0 HG22 VAL A 121 101.613 8.769 7.447 1.00 0.00 H new ATOM 0 HG23 VAL A 121 100.915 8.208 5.909 1.00 0.00 H new ATOM 2003 N ASN A 122 104.608 5.243 6.398 1.00 0.00 N ATOM 2004 CA ASN A 122 105.769 4.349 6.709 1.00 0.00 C ATOM 2005 C ASN A 122 107.077 4.932 6.168 1.00 0.00 C ATOM 2006 O ASN A 122 108.126 4.773 6.757 1.00 0.00 O ATOM 2007 CB ASN A 122 105.443 3.028 6.010 1.00 0.00 C ATOM 2008 CG ASN A 122 104.637 2.135 6.953 1.00 0.00 C ATOM 2009 OD1 ASN A 122 105.196 1.430 7.770 1.00 0.00 O ATOM 2010 ND2 ASN A 122 103.333 2.131 6.874 1.00 0.00 N ATOM 0 H ASN A 122 103.729 4.757 6.221 1.00 0.00 H new ATOM 0 HA ASN A 122 105.910 4.229 7.783 1.00 0.00 H new ATOM 0 HB2 ASN A 122 104.876 3.217 5.099 1.00 0.00 H new ATOM 0 HB3 ASN A 122 106.363 2.525 5.714 1.00 0.00 H new ATOM 0 HD21 ASN A 122 102.786 1.537 7.497 1.00 0.00 H new ATOM 0 HD22 ASN A 122 102.862 2.722 6.189 1.00 0.00 H new ATOM 2017 N VAL A 123 107.029 5.613 5.057 1.00 0.00 N ATOM 2018 CA VAL A 123 108.277 6.210 4.499 1.00 0.00 C ATOM 2019 C VAL A 123 108.635 7.482 5.278 1.00 0.00 C ATOM 2020 O VAL A 123 109.757 7.666 5.704 1.00 0.00 O ATOM 2021 CB VAL A 123 107.944 6.518 3.030 1.00 0.00 C ATOM 2022 CG1 VAL A 123 108.671 7.786 2.566 1.00 0.00 C ATOM 2023 CG2 VAL A 123 108.389 5.340 2.160 1.00 0.00 C ATOM 0 H VAL A 123 106.183 5.782 4.512 1.00 0.00 H new ATOM 0 HA VAL A 123 109.139 5.548 4.576 1.00 0.00 H new ATOM 0 HB VAL A 123 106.869 6.675 2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 123 108.423 7.987 1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 123 108.361 8.630 3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 123 109.747 7.644 2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 123 108.156 5.550 1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 123 109.463 5.192 2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 123 107.865 4.437 2.474 1.00 0.00 H new ATOM 2033 N ARG A 124 107.692 8.361 5.464 1.00 0.00 N ATOM 2034 CA ARG A 124 107.978 9.620 6.210 1.00 0.00 C ATOM 2035 C ARG A 124 108.431 9.312 7.639 1.00 0.00 C ATOM 2036 O ARG A 124 109.491 9.725 8.068 1.00 0.00 O ATOM 2037 CB ARG A 124 106.651 10.379 6.221 1.00 0.00 C ATOM 2038 CG ARG A 124 106.154 10.559 4.786 1.00 0.00 C ATOM 2039 CD ARG A 124 105.575 11.965 4.615 1.00 0.00 C ATOM 2040 NE ARG A 124 104.447 12.036 5.583 1.00 0.00 N ATOM 2041 CZ ARG A 124 103.224 12.183 5.151 1.00 0.00 C ATOM 2042 NH1 ARG A 124 102.768 11.402 4.210 1.00 0.00 N ATOM 2043 NH2 ARG A 124 102.459 13.111 5.657 1.00 0.00 N ATOM 0 H ARG A 124 106.733 8.263 5.131 1.00 0.00 H new ATOM 0 HA ARG A 124 108.779 10.196 5.748 1.00 0.00 H new ATOM 0 HB2 ARG A 124 105.912 9.832 6.807 1.00 0.00 H new ATOM 0 HB3 ARG A 124 106.780 11.351 6.697 1.00 0.00 H new ATOM 0 HG2 ARG A 124 106.974 10.405 4.085 1.00 0.00 H new ATOM 0 HG3 ARG A 124 105.394 9.812 4.557 1.00 0.00 H new ATOM 0 HD2 ARG A 124 106.324 12.729 4.825 1.00 0.00 H new ATOM 0 HD3 ARG A 124 105.230 12.129 3.594 1.00 0.00 H new ATOM 0 HE ARG A 124 104.630 11.970 6.584 1.00 0.00 H new ATOM 0 HH11 ARG A 124 103.367 10.678 3.813 1.00 0.00 H new ATOM 0 HH12 ARG A 124 101.813 11.516 3.871 1.00 0.00 H new ATOM 0 HH21 ARG A 124 102.816 13.723 6.391 1.00 0.00 H new ATOM 0 HH22 ARG A 124 101.504 13.225 5.319 1.00 0.00 H new ATOM 2057 N GLU A 125 107.632 8.600 8.382 1.00 0.00 N ATOM 2058 CA GLU A 125 108.010 8.276 9.789 1.00 0.00 C ATOM 2059 C GLU A 125 109.293 7.440 9.833 1.00 0.00 C ATOM 2060 O GLU A 125 110.226 7.759 10.545 1.00 0.00 O ATOM 2061 CB GLU A 125 106.830 7.473 10.339 1.00 0.00 C ATOM 2062 CG GLU A 125 105.683 8.425 10.687 1.00 0.00 C ATOM 2063 CD GLU A 125 105.299 8.248 12.156 1.00 0.00 C ATOM 2064 OE1 GLU A 125 104.621 7.280 12.459 1.00 0.00 O ATOM 2065 OE2 GLU A 125 105.690 9.083 12.955 1.00 0.00 O ATOM 0 H GLU A 125 106.733 8.227 8.078 1.00 0.00 H new ATOM 0 HA GLU A 125 108.207 9.175 10.373 1.00 0.00 H new ATOM 0 HB2 GLU A 125 106.499 6.742 9.602 1.00 0.00 H new ATOM 0 HB3 GLU A 125 107.136 6.916 11.225 1.00 0.00 H new ATOM 0 HG2 GLU A 125 105.983 9.456 10.501 1.00 0.00 H new ATOM 0 HG3 GLU A 125 104.823 8.223 10.049 1.00 0.00 H new ATOM 2072 N LYS A 126 109.352 6.372 9.086 1.00 0.00 N ATOM 2073 CA LYS A 126 110.577 5.521 9.099 1.00 0.00 C ATOM 2074 C LYS A 126 111.823 6.383 8.887 1.00 0.00 C ATOM 2075 O LYS A 126 112.798 6.273 9.604 1.00 0.00 O ATOM 2076 CB LYS A 126 110.395 4.547 7.936 1.00 0.00 C ATOM 2077 CG LYS A 126 111.612 3.626 7.846 1.00 0.00 C ATOM 2078 CD LYS A 126 111.521 2.560 8.938 1.00 0.00 C ATOM 2079 CE LYS A 126 112.783 2.603 9.800 1.00 0.00 C ATOM 2080 NZ LYS A 126 112.537 1.614 10.886 1.00 0.00 N ATOM 0 H LYS A 126 108.607 6.052 8.468 1.00 0.00 H new ATOM 0 HA LYS A 126 110.709 5.002 10.048 1.00 0.00 H new ATOM 0 HB2 LYS A 126 109.490 3.957 8.080 1.00 0.00 H new ATOM 0 HB3 LYS A 126 110.272 5.097 7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 126 111.654 3.155 6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 126 112.529 4.204 7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 126 110.640 2.732 9.556 1.00 0.00 H new ATOM 0 HD3 LYS A 126 111.408 1.573 8.489 1.00 0.00 H new ATOM 0 HE2 LYS A 126 113.667 2.341 9.219 1.00 0.00 H new ATOM 0 HE3 LYS A 126 112.952 3.601 10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 112.819 2.024 11.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 111.526 1.372 10.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 113.094 0.755 10.706 1.00 0.00 H new ATOM 2094 N ALA A 127 111.798 7.236 7.903 1.00 0.00 N ATOM 2095 CA ALA A 127 112.978 8.107 7.634 1.00 0.00 C ATOM 2096 C ALA A 127 113.360 8.900 8.889 1.00 0.00 C ATOM 2097 O ALA A 127 114.516 8.985 9.251 1.00 0.00 O ATOM 2098 CB ALA A 127 112.524 9.050 6.520 1.00 0.00 C ATOM 0 H ALA A 127 111.009 7.369 7.270 1.00 0.00 H new ATOM 0 HA ALA A 127 113.858 7.530 7.350 1.00 0.00 H new ATOM 0 HB1 ALA A 127 113.338 9.727 6.262 1.00 0.00 H new ATOM 0 HB2 ALA A 127 112.244 8.468 5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 127 111.665 9.629 6.860 1.00 0.00 H new ATOM 2104 N LYS A 128 112.399 9.486 9.554 1.00 0.00 N ATOM 2105 CA LYS A 128 112.719 10.275 10.779 1.00 0.00 C ATOM 2106 C LYS A 128 113.340 9.372 11.849 1.00 0.00 C ATOM 2107 O LYS A 128 114.207 9.782 12.595 1.00 0.00 O ATOM 2108 CB LYS A 128 111.376 10.827 11.258 1.00 0.00 C ATOM 2109 CG LYS A 128 111.617 12.013 12.195 1.00 0.00 C ATOM 2110 CD LYS A 128 110.367 12.260 13.041 1.00 0.00 C ATOM 2111 CE LYS A 128 110.691 13.261 14.153 1.00 0.00 C ATOM 2112 NZ LYS A 128 109.894 12.805 15.325 1.00 0.00 N ATOM 0 H LYS A 128 111.411 9.453 9.303 1.00 0.00 H new ATOM 0 HA LYS A 128 113.439 11.068 10.579 1.00 0.00 H new ATOM 0 HB2 LYS A 128 110.774 11.140 10.405 1.00 0.00 H new ATOM 0 HB3 LYS A 128 110.815 10.049 11.776 1.00 0.00 H new ATOM 0 HG2 LYS A 128 112.472 11.812 12.841 1.00 0.00 H new ATOM 0 HG3 LYS A 128 111.858 12.904 11.616 1.00 0.00 H new ATOM 0 HD2 LYS A 128 109.562 12.644 12.415 1.00 0.00 H new ATOM 0 HD3 LYS A 128 110.016 11.323 13.472 1.00 0.00 H new ATOM 0 HE2 LYS A 128 111.757 13.268 14.379 1.00 0.00 H new ATOM 0 HE3 LYS A 128 110.420 14.276 13.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 110.063 13.442 16.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 108.883 12.815 15.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 110.179 11.839 15.584 1.00 0.00 H new ATOM 2126 N GLN A 129 112.899 8.148 11.933 1.00 0.00 N ATOM 2127 CA GLN A 129 113.462 7.221 12.957 1.00 0.00 C ATOM 2128 C GLN A 129 114.966 7.032 12.742 1.00 0.00 C ATOM 2129 O GLN A 129 115.756 7.185 13.652 1.00 0.00 O ATOM 2130 CB GLN A 129 112.718 5.901 12.748 1.00 0.00 C ATOM 2131 CG GLN A 129 112.364 5.296 14.108 1.00 0.00 C ATOM 2132 CD GLN A 129 113.189 4.027 14.332 1.00 0.00 C ATOM 2133 OE1 GLN A 129 113.564 3.357 13.390 1.00 0.00 O ATOM 2134 NE2 GLN A 129 113.490 3.666 15.550 1.00 0.00 N ATOM 0 H GLN A 129 112.173 7.748 11.338 1.00 0.00 H new ATOM 0 HA GLN A 129 113.337 7.605 13.970 1.00 0.00 H new ATOM 0 HB2 GLN A 129 111.812 6.070 12.166 1.00 0.00 H new ATOM 0 HB3 GLN A 129 113.338 5.208 12.179 1.00 0.00 H new ATOM 0 HG2 GLN A 129 112.563 6.017 14.901 1.00 0.00 H new ATOM 0 HG3 GLN A 129 111.300 5.063 14.148 1.00 0.00 H new ATOM 0 HE21 GLN A 129 113.175 4.228 16.341 1.00 0.00 H new ATOM 0 HE22 GLN A 129 114.040 2.822 15.711 1.00 0.00 H new ATOM 2143 N LEU A 130 115.370 6.699 11.546 1.00 0.00 N ATOM 2144 CA LEU A 130 116.825 6.499 11.283 1.00 0.00 C ATOM 2145 C LEU A 130 117.618 7.733 11.720 1.00 0.00 C ATOM 2146 O LEU A 130 118.718 7.628 12.226 1.00 0.00 O ATOM 2147 CB LEU A 130 116.936 6.296 9.772 1.00 0.00 C ATOM 2148 CG LEU A 130 118.273 5.626 9.444 1.00 0.00 C ATOM 2149 CD1 LEU A 130 118.055 4.526 8.404 1.00 0.00 C ATOM 2150 CD2 LEU A 130 119.240 6.671 8.885 1.00 0.00 C ATOM 0 H LEU A 130 114.759 6.557 10.742 1.00 0.00 H new ATOM 0 HA LEU A 130 117.229 5.651 11.836 1.00 0.00 H new ATOM 0 HB2 LEU A 130 116.111 5.679 9.416 1.00 0.00 H new ATOM 0 HB3 LEU A 130 116.862 7.255 9.259 1.00 0.00 H new ATOM 0 HG LEU A 130 118.691 5.188 10.350 1.00 0.00 H new ATOM 0 HD11 LEU A 130 119.008 4.051 8.172 1.00 0.00 H new ATOM 0 HD12 LEU A 130 117.365 3.781 8.801 1.00 0.00 H new ATOM 0 HD13 LEU A 130 117.636 4.961 7.497 1.00 0.00 H new ATOM 0 HD21 LEU A 130 120.193 6.196 8.651 1.00 0.00 H new ATOM 0 HD22 LEU A 130 118.820 7.108 7.979 1.00 0.00 H new ATOM 0 HD23 LEU A 130 119.397 7.454 9.626 1.00 0.00 H new ATOM 2162 N VAL A 131 117.067 8.898 11.532 1.00 0.00 N ATOM 2163 CA VAL A 131 117.789 10.137 11.940 1.00 0.00 C ATOM 2164 C VAL A 131 117.748 10.294 13.462 1.00 0.00 C ATOM 2165 O VAL A 131 118.617 10.898 14.058 1.00 0.00 O ATOM 2166 CB VAL A 131 117.032 11.279 11.264 1.00 0.00 C ATOM 2167 CG1 VAL A 131 117.573 12.617 11.771 1.00 0.00 C ATOM 2168 CG2 VAL A 131 117.226 11.191 9.750 1.00 0.00 C ATOM 0 H VAL A 131 116.149 9.048 11.114 1.00 0.00 H new ATOM 0 HA VAL A 131 118.839 10.117 11.650 1.00 0.00 H new ATOM 0 HB VAL A 131 115.970 11.203 11.499 1.00 0.00 H new ATOM 0 HG11 VAL A 131 117.034 13.433 11.290 1.00 0.00 H new ATOM 0 HG12 VAL A 131 117.437 12.679 12.851 1.00 0.00 H new ATOM 0 HG13 VAL A 131 118.634 12.694 11.534 1.00 0.00 H new ATOM 0 HG21 VAL A 131 116.686 12.005 9.266 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.287 11.268 9.514 1.00 0.00 H new ATOM 0 HG23 VAL A 131 116.843 10.237 9.389 1.00 0.00 H new ATOM 2178 N ALA A 132 116.741 9.756 14.092 1.00 0.00 N ATOM 2179 CA ALA A 132 116.635 9.874 15.575 1.00 0.00 C ATOM 2180 C ALA A 132 117.738 9.061 16.260 1.00 0.00 C ATOM 2181 O ALA A 132 118.454 9.559 17.107 1.00 0.00 O ATOM 2182 CB ALA A 132 115.259 9.302 15.917 1.00 0.00 C ATOM 0 H ALA A 132 115.985 9.238 13.644 1.00 0.00 H new ATOM 0 HA ALA A 132 116.749 10.904 15.914 1.00 0.00 H new ATOM 0 HB1 ALA A 132 115.102 9.352 16.994 1.00 0.00 H new ATOM 0 HB2 ALA A 132 114.488 9.882 15.410 1.00 0.00 H new ATOM 0 HB3 ALA A 132 115.205 8.263 15.590 1.00 0.00 H new ATOM 2188 N LEU A 133 117.878 7.813 15.905 1.00 0.00 N ATOM 2189 CA LEU A 133 118.932 6.974 16.544 1.00 0.00 C ATOM 2190 C LEU A 133 120.325 7.522 16.212 1.00 0.00 C ATOM 2191 O LEU A 133 121.269 7.326 16.951 1.00 0.00 O ATOM 2192 CB LEU A 133 118.742 5.576 15.951 1.00 0.00 C ATOM 2193 CG LEU A 133 119.292 5.540 14.524 1.00 0.00 C ATOM 2194 CD1 LEU A 133 120.739 5.046 14.546 1.00 0.00 C ATOM 2195 CD2 LEU A 133 118.443 4.591 13.675 1.00 0.00 C ATOM 0 H LEU A 133 117.310 7.339 15.203 1.00 0.00 H new ATOM 0 HA LEU A 133 118.850 6.967 17.631 1.00 0.00 H new ATOM 0 HB2 LEU A 133 119.254 4.837 16.567 1.00 0.00 H new ATOM 0 HB3 LEU A 133 117.684 5.312 15.950 1.00 0.00 H new ATOM 0 HG LEU A 133 119.257 6.542 14.096 1.00 0.00 H new ATOM 0 HD11 LEU A 133 121.130 5.021 13.529 1.00 0.00 H new ATOM 0 HD12 LEU A 133 121.345 5.721 15.151 1.00 0.00 H new ATOM 0 HD13 LEU A 133 120.775 4.044 14.974 1.00 0.00 H new ATOM 0 HD21 LEU A 133 118.834 4.564 12.658 1.00 0.00 H new ATOM 0 HD22 LEU A 133 118.478 3.589 14.104 1.00 0.00 H new ATOM 0 HD23 LEU A 133 117.411 4.942 13.658 1.00 0.00 H new ATOM 2207 N LEU A 134 120.459 8.206 15.109 1.00 0.00 N ATOM 2208 CA LEU A 134 121.792 8.765 14.738 1.00 0.00 C ATOM 2209 C LEU A 134 121.977 10.148 15.369 1.00 0.00 C ATOM 2210 O LEU A 134 123.067 10.682 15.408 1.00 0.00 O ATOM 2211 CB LEU A 134 121.770 8.868 13.212 1.00 0.00 C ATOM 2212 CG LEU A 134 122.671 7.787 12.615 1.00 0.00 C ATOM 2213 CD1 LEU A 134 121.827 6.823 11.781 1.00 0.00 C ATOM 2214 CD2 LEU A 134 123.730 8.439 11.722 1.00 0.00 C ATOM 0 H LEU A 134 119.706 8.402 14.450 1.00 0.00 H new ATOM 0 HA LEU A 134 122.614 8.142 15.090 1.00 0.00 H new ATOM 0 HB2 LEU A 134 120.751 8.751 12.844 1.00 0.00 H new ATOM 0 HB3 LEU A 134 122.111 9.855 12.899 1.00 0.00 H new ATOM 0 HG LEU A 134 123.161 7.239 13.420 1.00 0.00 H new ATOM 0 HD11 LEU A 134 122.469 6.052 11.355 1.00 0.00 H new ATOM 0 HD12 LEU A 134 121.073 6.357 12.415 1.00 0.00 H new ATOM 0 HD13 LEU A 134 121.336 7.371 10.977 1.00 0.00 H new ATOM 0 HD21 LEU A 134 124.372 7.668 11.297 1.00 0.00 H new ATOM 0 HD22 LEU A 134 123.240 8.988 10.918 1.00 0.00 H new ATOM 0 HD23 LEU A 134 124.333 9.127 12.315 1.00 0.00 H new