USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 752 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 MET CE :methyl 142:sc= -2.16 (180deg=-6.73!) USER MOD Set 1.2: A 81 MET CE :methyl 145:sc= -6.97! (180deg=-6.31!) USER MOD Set 1.3: A 96 CYS SG : rot -28:sc= -2.97 USER MOD Set 2.1: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 48 TYR OH : rot 173:sc= 0.786 USER MOD Set 3.2: A 87 THR OG1 : rot -41:sc= 0.321 USER MOD Set 4.1: A 41 SER OG : rot -60:sc= 0.829 USER MOD Set 4.2: A 83 TYR OH : rot 130:sc= -1.58 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -84:sc= 1.16 USER MOD Single : A 40 MET CE :methyl -178:sc= -1.11 (180deg=-1.2) USER MOD Single : A 47 THR OG1 : rot -72:sc= -2.37! 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 59 MET CE :methyl 142:sc= -2.6 (180deg=-3.57!) USER MOD Single : A 65 ASN : amide:sc= -0.0334 X(o=-0.033,f=-0.18) USER MOD Single : A 73 HIS : no HD1:sc= -0.934 K(o=-0.93,f=-0.31) 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 -137:sc= -7.11! (180deg=-10.9!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0455 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 94:sc= 0.27 USER MOD Single : A 93 SER OG : rot 180:sc= -2.55! USER MOD Single : A 94 GLN : amide:sc= -0.043 X(o=-0.043,f=-0.008) USER MOD Single : A 95 GLN : amide:sc= -1.13 K(o=-1.1,f=-6!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.0346 X(o=-0.035,f=-0.047) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) 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= -0.139 K(o=-0.14,f=-2.9!) USER MOD Single : A 126 LYS NZ :NH3+ 150:sc= 0.494 (180deg=-0.0141) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 355 N GLU A 19 129.783 -5.761 -6.270 1.00 0.00 N ATOM 356 CA GLU A 19 128.409 -6.338 -6.206 1.00 0.00 C ATOM 357 C GLU A 19 127.583 -5.626 -5.130 1.00 0.00 C ATOM 358 O GLU A 19 126.443 -5.965 -4.886 1.00 0.00 O ATOM 359 CB GLU A 19 128.613 -7.808 -5.839 1.00 0.00 C ATOM 360 CG GLU A 19 129.455 -8.492 -6.919 1.00 0.00 C ATOM 361 CD GLU A 19 129.460 -10.004 -6.682 1.00 0.00 C ATOM 362 OE1 GLU A 19 130.149 -10.438 -5.772 1.00 0.00 O ATOM 363 OE2 GLU A 19 128.777 -10.701 -7.413 1.00 0.00 O ATOM 0 HA GLU A 19 127.870 -6.223 -7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 19 129.109 -7.887 -4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 19 127.649 -8.307 -5.744 1.00 0.00 H new ATOM 0 HG2 GLU A 19 129.050 -8.269 -7.906 1.00 0.00 H new ATOM 0 HG3 GLU A 19 130.474 -8.107 -6.899 1.00 0.00 H new ATOM 370 N ALA A 20 128.150 -4.641 -4.486 1.00 0.00 N ATOM 371 CA ALA A 20 127.392 -3.912 -3.428 1.00 0.00 C ATOM 372 C ALA A 20 126.197 -3.180 -4.044 1.00 0.00 C ATOM 373 O ALA A 20 125.102 -3.209 -3.522 1.00 0.00 O ATOM 374 CB ALA A 20 128.388 -2.911 -2.840 1.00 0.00 C ATOM 0 H ALA A 20 129.102 -4.311 -4.646 1.00 0.00 H new ATOM 0 HA ALA A 20 126.996 -4.585 -2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 20 127.903 -2.335 -2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 20 129.241 -3.448 -2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 20 128.731 -2.236 -3.624 1.00 0.00 H new ATOM 380 N GLU A 21 126.400 -2.521 -5.152 1.00 0.00 N ATOM 381 CA GLU A 21 125.275 -1.788 -5.800 1.00 0.00 C ATOM 382 C GLU A 21 124.104 -2.738 -6.063 1.00 0.00 C ATOM 383 O GLU A 21 122.958 -2.402 -5.839 1.00 0.00 O ATOM 384 CB GLU A 21 125.849 -1.267 -7.119 1.00 0.00 C ATOM 385 CG GLU A 21 126.411 -2.437 -7.929 1.00 0.00 C ATOM 386 CD GLU A 21 127.494 -1.925 -8.881 1.00 0.00 C ATOM 387 OE1 GLU A 21 127.972 -0.824 -8.664 1.00 0.00 O ATOM 388 OE2 GLU A 21 127.825 -2.643 -9.809 1.00 0.00 O ATOM 0 H GLU A 21 127.295 -2.458 -5.636 1.00 0.00 H new ATOM 0 HA GLU A 21 124.894 -0.981 -5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 21 125.073 -0.756 -7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 21 126.634 -0.536 -6.923 1.00 0.00 H new ATOM 0 HG2 GLU A 21 126.827 -3.190 -7.260 1.00 0.00 H new ATOM 0 HG3 GLU A 21 125.613 -2.918 -8.494 1.00 0.00 H new ATOM 395 N ILE A 22 124.381 -3.921 -6.536 1.00 0.00 N ATOM 396 CA ILE A 22 123.283 -4.892 -6.813 1.00 0.00 C ATOM 397 C ILE A 22 122.565 -5.266 -5.514 1.00 0.00 C ATOM 398 O ILE A 22 121.360 -5.154 -5.406 1.00 0.00 O ATOM 399 CB ILE A 22 123.976 -6.114 -7.414 1.00 0.00 C ATOM 400 CG1 ILE A 22 124.734 -5.699 -8.678 1.00 0.00 C ATOM 401 CG2 ILE A 22 122.927 -7.167 -7.773 1.00 0.00 C ATOM 402 CD1 ILE A 22 123.734 -5.368 -9.787 1.00 0.00 C ATOM 0 H ILE A 22 125.321 -4.259 -6.743 1.00 0.00 H new ATOM 0 HA ILE A 22 122.529 -4.481 -7.484 1.00 0.00 H new ATOM 0 HB ILE A 22 124.676 -6.529 -6.689 1.00 0.00 H new ATOM 0 HG12 ILE A 22 125.363 -4.833 -8.470 1.00 0.00 H new ATOM 0 HG13 ILE A 22 125.396 -6.504 -8.999 1.00 0.00 H new ATOM 0 HG21 ILE A 22 123.419 -8.040 -8.202 1.00 0.00 H new ATOM 0 HG22 ILE A 22 122.385 -7.461 -6.874 1.00 0.00 H new ATOM 0 HG23 ILE A 22 122.228 -6.752 -8.499 1.00 0.00 H new ATOM 0 HD11 ILE A 22 124.273 -5.073 -10.687 1.00 0.00 H new ATOM 0 HD12 ILE A 22 123.124 -6.246 -10.001 1.00 0.00 H new ATOM 0 HD13 ILE A 22 123.091 -4.549 -9.464 1.00 0.00 H new ATOM 414 N LYS A 23 123.294 -5.711 -4.527 1.00 0.00 N ATOM 415 CA LYS A 23 122.652 -6.094 -3.237 1.00 0.00 C ATOM 416 C LYS A 23 121.739 -4.969 -2.742 1.00 0.00 C ATOM 417 O LYS A 23 120.555 -5.157 -2.551 1.00 0.00 O ATOM 418 CB LYS A 23 123.813 -6.309 -2.267 1.00 0.00 C ATOM 419 CG LYS A 23 124.698 -7.451 -2.773 1.00 0.00 C ATOM 420 CD LYS A 23 124.128 -8.789 -2.293 1.00 0.00 C ATOM 421 CE LYS A 23 125.102 -9.914 -2.646 1.00 0.00 C ATOM 422 NZ LYS A 23 124.729 -10.327 -4.028 1.00 0.00 N ATOM 0 H LYS A 23 124.307 -5.826 -4.558 1.00 0.00 H new ATOM 0 HA LYS A 23 122.031 -6.984 -3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 23 124.399 -5.394 -2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 23 123.432 -6.544 -1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 23 124.746 -7.433 -3.862 1.00 0.00 H new ATOM 0 HG3 LYS A 23 125.717 -7.325 -2.407 1.00 0.00 H new ATOM 0 HD2 LYS A 23 123.963 -8.761 -1.216 1.00 0.00 H new ATOM 0 HD3 LYS A 23 123.160 -8.972 -2.759 1.00 0.00 H new ATOM 0 HE2 LYS A 23 126.135 -9.570 -2.602 1.00 0.00 H new ATOM 0 HE3 LYS A 23 125.013 -10.746 -1.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 125.354 -11.097 -4.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 123.743 -10.656 -4.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 124.830 -9.516 -4.672 1.00 0.00 H new ATOM 436 N VAL A 24 122.280 -3.801 -2.529 1.00 0.00 N ATOM 437 CA VAL A 24 121.441 -2.667 -2.044 1.00 0.00 C ATOM 438 C VAL A 24 120.129 -2.598 -2.830 1.00 0.00 C ATOM 439 O VAL A 24 119.066 -2.420 -2.269 1.00 0.00 O ATOM 440 CB VAL A 24 122.282 -1.415 -2.294 1.00 0.00 C ATOM 441 CG1 VAL A 24 121.398 -0.172 -2.166 1.00 0.00 C ATOM 442 CG2 VAL A 24 123.413 -1.344 -1.265 1.00 0.00 C ATOM 0 H VAL A 24 123.266 -3.582 -2.670 1.00 0.00 H new ATOM 0 HA VAL A 24 121.173 -2.776 -0.993 1.00 0.00 H new ATOM 0 HB VAL A 24 122.706 -1.458 -3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 24 121.997 0.721 -2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 24 120.593 -0.221 -2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 24 120.973 -0.129 -1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 24 124.012 -0.451 -1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 24 122.990 -1.302 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 24 124.044 -2.228 -1.356 1.00 0.00 H new ATOM 452 N ARG A 25 120.193 -2.735 -4.128 1.00 0.00 N ATOM 453 CA ARG A 25 118.947 -2.673 -4.947 1.00 0.00 C ATOM 454 C ARG A 25 118.012 -3.828 -4.581 1.00 0.00 C ATOM 455 O ARG A 25 116.808 -3.672 -4.524 1.00 0.00 O ATOM 456 CB ARG A 25 119.415 -2.802 -6.396 1.00 0.00 C ATOM 457 CG ARG A 25 118.204 -2.736 -7.331 1.00 0.00 C ATOM 458 CD ARG A 25 118.345 -3.796 -8.425 1.00 0.00 C ATOM 459 NE ARG A 25 117.578 -4.970 -7.922 1.00 0.00 N ATOM 460 CZ ARG A 25 117.162 -5.884 -8.755 1.00 0.00 C ATOM 461 NH1 ARG A 25 117.941 -6.291 -9.720 1.00 0.00 N ATOM 462 NH2 ARG A 25 115.967 -6.391 -8.624 1.00 0.00 N ATOM 0 H ARG A 25 121.053 -2.887 -4.656 1.00 0.00 H new ATOM 0 HA ARG A 25 118.391 -1.750 -4.779 1.00 0.00 H new ATOM 0 HB2 ARG A 25 120.117 -2.003 -6.635 1.00 0.00 H new ATOM 0 HB3 ARG A 25 119.945 -3.744 -6.536 1.00 0.00 H new ATOM 0 HG2 ARG A 25 117.286 -2.901 -6.767 1.00 0.00 H new ATOM 0 HG3 ARG A 25 118.130 -1.745 -7.778 1.00 0.00 H new ATOM 0 HD2 ARG A 25 117.945 -3.440 -9.374 1.00 0.00 H new ATOM 0 HD3 ARG A 25 119.391 -4.051 -8.596 1.00 0.00 H new ATOM 0 HE ARG A 25 117.378 -5.059 -6.926 1.00 0.00 H new ATOM 0 HH11 ARG A 25 118.875 -5.895 -9.823 1.00 0.00 H new ATOM 0 HH12 ARG A 25 117.616 -7.006 -10.371 1.00 0.00 H new ATOM 0 HH21 ARG A 25 115.358 -6.073 -7.870 1.00 0.00 H new ATOM 0 HH22 ARG A 25 115.642 -7.106 -9.275 1.00 0.00 H new ATOM 476 N GLU A 26 118.557 -4.984 -4.334 1.00 0.00 N ATOM 477 CA GLU A 26 117.703 -6.150 -3.972 1.00 0.00 C ATOM 478 C GLU A 26 117.147 -5.974 -2.558 1.00 0.00 C ATOM 479 O GLU A 26 116.160 -6.577 -2.188 1.00 0.00 O ATOM 480 CB GLU A 26 118.635 -7.361 -4.037 1.00 0.00 C ATOM 481 CG GLU A 26 118.871 -7.745 -5.500 1.00 0.00 C ATOM 482 CD GLU A 26 117.811 -8.758 -5.938 1.00 0.00 C ATOM 483 OE1 GLU A 26 116.741 -8.330 -6.339 1.00 0.00 O ATOM 484 OE2 GLU A 26 118.087 -9.944 -5.867 1.00 0.00 O ATOM 0 H GLU A 26 119.559 -5.174 -4.367 1.00 0.00 H new ATOM 0 HA GLU A 26 116.848 -6.261 -4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 26 119.584 -7.130 -3.553 1.00 0.00 H new ATOM 0 HB3 GLU A 26 118.197 -8.200 -3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 26 118.825 -6.858 -6.132 1.00 0.00 H new ATOM 0 HG3 GLU A 26 119.867 -8.170 -5.619 1.00 0.00 H new ATOM 491 N ALA A 27 117.772 -5.149 -1.764 1.00 0.00 N ATOM 492 CA ALA A 27 117.278 -4.931 -0.375 1.00 0.00 C ATOM 493 C ALA A 27 116.214 -3.830 -0.363 1.00 0.00 C ATOM 494 O ALA A 27 115.471 -3.681 0.587 1.00 0.00 O ATOM 495 CB ALA A 27 118.509 -4.495 0.421 1.00 0.00 C ATOM 0 H ALA A 27 118.604 -4.616 -2.017 1.00 0.00 H new ATOM 0 HA ALA A 27 116.818 -5.825 0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 27 118.226 -4.314 1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 27 119.264 -5.280 0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 27 118.915 -3.579 -0.009 1.00 0.00 H new ATOM 501 N THR A 28 116.134 -3.061 -1.414 1.00 0.00 N ATOM 502 CA THR A 28 115.118 -1.970 -1.466 1.00 0.00 C ATOM 503 C THR A 28 114.059 -2.287 -2.526 1.00 0.00 C ATOM 504 O THR A 28 113.670 -1.437 -3.302 1.00 0.00 O ATOM 505 CB THR A 28 115.902 -0.713 -1.847 1.00 0.00 C ATOM 506 OG1 THR A 28 116.779 -1.014 -2.924 1.00 0.00 O ATOM 507 CG2 THR A 28 116.712 -0.232 -0.643 1.00 0.00 C ATOM 0 H THR A 28 116.728 -3.140 -2.239 1.00 0.00 H new ATOM 0 HA THR A 28 114.593 -1.848 -0.519 1.00 0.00 H new ATOM 0 HB THR A 28 115.209 0.072 -2.151 1.00 0.00 H new ATOM 0 HG1 THR A 28 117.611 -1.395 -2.572 1.00 0.00 H new ATOM 0 HG21 THR A 28 117.271 0.664 -0.915 1.00 0.00 H new ATOM 0 HG22 THR A 28 116.037 -0.003 0.181 1.00 0.00 H new ATOM 0 HG23 THR A 28 117.407 -1.014 -0.336 1.00 0.00 H new ATOM 644 N LEU A 39 120.181 -10.679 2.905 1.00 0.00 N ATOM 645 CA LEU A 39 120.797 -9.747 1.916 1.00 0.00 C ATOM 646 C LEU A 39 121.277 -8.474 2.617 1.00 0.00 C ATOM 647 O LEU A 39 122.264 -7.877 2.234 1.00 0.00 O ATOM 648 CB LEU A 39 119.677 -9.425 0.926 1.00 0.00 C ATOM 649 CG LEU A 39 120.219 -8.521 -0.182 1.00 0.00 C ATOM 650 CD1 LEU A 39 120.471 -9.352 -1.441 1.00 0.00 C ATOM 651 CD2 LEU A 39 119.196 -7.426 -0.490 1.00 0.00 C ATOM 0 HA LEU A 39 121.665 -10.183 1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 39 119.280 -10.345 0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 39 118.853 -8.932 1.441 1.00 0.00 H new ATOM 0 HG LEU A 39 121.154 -8.065 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 39 120.857 -8.708 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 39 121.199 -10.133 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 39 119.537 -9.808 -1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 39 119.581 -6.780 -1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 39 118.262 -7.882 -0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 39 119.016 -6.834 0.407 1.00 0.00 H new ATOM 663 N MET A 40 120.587 -8.053 3.641 1.00 0.00 N ATOM 664 CA MET A 40 121.003 -6.818 4.366 1.00 0.00 C ATOM 665 C MET A 40 122.407 -6.994 4.951 1.00 0.00 C ATOM 666 O MET A 40 123.324 -6.270 4.620 1.00 0.00 O ATOM 667 CB MET A 40 119.974 -6.650 5.484 1.00 0.00 C ATOM 668 CG MET A 40 119.363 -5.249 5.409 1.00 0.00 C ATOM 669 SD MET A 40 117.576 -5.384 5.153 1.00 0.00 S ATOM 670 CE MET A 40 117.240 -3.615 4.971 1.00 0.00 C ATOM 0 H MET A 40 119.752 -8.511 4.008 1.00 0.00 H new ATOM 0 HA MET A 40 121.040 -5.948 3.711 1.00 0.00 H new ATOM 0 HB2 MET A 40 119.193 -7.404 5.390 1.00 0.00 H new ATOM 0 HB3 MET A 40 120.448 -6.800 6.454 1.00 0.00 H new ATOM 0 HG2 MET A 40 119.569 -4.701 6.328 1.00 0.00 H new ATOM 0 HG3 MET A 40 119.817 -4.686 4.593 1.00 0.00 H new ATOM 0 HE1 MET A 40 116.170 -3.460 4.837 1.00 0.00 H new ATOM 0 HE2 MET A 40 117.574 -3.087 5.865 1.00 0.00 H new ATOM 0 HE3 MET A 40 117.774 -3.231 4.102 1.00 0.00 H new ATOM 680 N SER A 41 122.582 -7.953 5.819 1.00 0.00 N ATOM 681 CA SER A 41 123.926 -8.174 6.425 1.00 0.00 C ATOM 682 C SER A 41 125.005 -8.163 5.338 1.00 0.00 C ATOM 683 O SER A 41 126.144 -7.818 5.586 1.00 0.00 O ATOM 684 CB SER A 41 123.841 -9.551 7.082 1.00 0.00 C ATOM 685 OG SER A 41 122.679 -9.610 7.899 1.00 0.00 O ATOM 0 H SER A 41 121.853 -8.593 6.135 1.00 0.00 H new ATOM 0 HA SER A 41 124.190 -7.396 7.141 1.00 0.00 H new ATOM 0 HB2 SER A 41 123.803 -10.329 6.319 1.00 0.00 H new ATOM 0 HB3 SER A 41 124.732 -9.736 7.682 1.00 0.00 H new ATOM 0 HG SER A 41 122.728 -8.915 8.588 1.00 0.00 H new ATOM 691 N GLU A 42 124.656 -8.536 4.138 1.00 0.00 N ATOM 692 CA GLU A 42 125.663 -8.546 3.040 1.00 0.00 C ATOM 693 C GLU A 42 126.010 -7.113 2.626 1.00 0.00 C ATOM 694 O GLU A 42 127.165 -6.742 2.550 1.00 0.00 O ATOM 695 CB GLU A 42 124.988 -9.291 1.888 1.00 0.00 C ATOM 696 CG GLU A 42 125.957 -9.393 0.708 1.00 0.00 C ATOM 697 CD GLU A 42 126.902 -10.576 0.923 1.00 0.00 C ATOM 698 OE1 GLU A 42 126.874 -11.142 2.004 1.00 0.00 O ATOM 699 OE2 GLU A 42 127.639 -10.896 0.004 1.00 0.00 O ATOM 0 H GLU A 42 123.718 -8.834 3.870 1.00 0.00 H new ATOM 0 HA GLU A 42 126.596 -9.023 3.340 1.00 0.00 H new ATOM 0 HB2 GLU A 42 124.687 -10.287 2.212 1.00 0.00 H new ATOM 0 HB3 GLU A 42 124.082 -8.767 1.584 1.00 0.00 H new ATOM 0 HG2 GLU A 42 125.402 -9.522 -0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 42 126.529 -8.470 0.613 1.00 0.00 H new ATOM 706 N ILE A 43 125.022 -6.303 2.359 1.00 0.00 N ATOM 707 CA ILE A 43 125.305 -4.897 1.953 1.00 0.00 C ATOM 708 C ILE A 43 126.184 -4.214 3.005 1.00 0.00 C ATOM 709 O ILE A 43 126.991 -3.361 2.693 1.00 0.00 O ATOM 710 CB ILE A 43 123.936 -4.221 1.865 1.00 0.00 C ATOM 711 CG1 ILE A 43 123.204 -4.732 0.621 1.00 0.00 C ATOM 712 CG2 ILE A 43 124.120 -2.706 1.760 1.00 0.00 C ATOM 713 CD1 ILE A 43 121.708 -4.859 0.916 1.00 0.00 C ATOM 0 H ILE A 43 124.034 -6.553 2.404 1.00 0.00 H new ATOM 0 HA ILE A 43 125.842 -4.839 1.006 1.00 0.00 H new ATOM 0 HB ILE A 43 123.354 -4.453 2.757 1.00 0.00 H new ATOM 0 HG12 ILE A 43 123.363 -4.048 -0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 43 123.608 -5.699 0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 43 123.144 -2.224 1.697 1.00 0.00 H new ATOM 0 HG22 ILE A 43 124.648 -2.342 2.641 1.00 0.00 H new ATOM 0 HG23 ILE A 43 124.699 -2.471 0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 43 121.192 -5.223 0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 43 121.557 -5.561 1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 43 121.308 -3.884 1.194 1.00 0.00 H new ATOM 725 N ALA A 44 126.043 -4.591 4.247 1.00 0.00 N ATOM 726 CA ALA A 44 126.883 -3.970 5.312 1.00 0.00 C ATOM 727 C ALA A 44 128.332 -4.442 5.162 1.00 0.00 C ATOM 728 O ALA A 44 129.253 -3.652 5.072 1.00 0.00 O ATOM 729 CB ALA A 44 126.287 -4.461 6.630 1.00 0.00 C ATOM 0 H ALA A 44 125.385 -5.300 4.570 1.00 0.00 H new ATOM 0 HA ALA A 44 126.890 -2.881 5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 44 126.854 -4.045 7.463 1.00 0.00 H new ATOM 0 HB2 ALA A 44 125.248 -4.140 6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 44 126.334 -5.549 6.667 1.00 0.00 H new ATOM 735 N ASP A 45 128.543 -5.729 5.116 1.00 0.00 N ATOM 736 CA ASP A 45 129.931 -6.239 4.951 1.00 0.00 C ATOM 737 C ASP A 45 130.564 -5.576 3.727 1.00 0.00 C ATOM 738 O ASP A 45 131.769 -5.518 3.589 1.00 0.00 O ATOM 739 CB ASP A 45 129.783 -7.745 4.735 1.00 0.00 C ATOM 740 CG ASP A 45 130.570 -8.493 5.812 1.00 0.00 C ATOM 741 OD1 ASP A 45 131.743 -8.198 5.973 1.00 0.00 O ATOM 742 OD2 ASP A 45 129.986 -9.349 6.456 1.00 0.00 O ATOM 0 H ASP A 45 127.819 -6.444 5.185 1.00 0.00 H new ATOM 0 HA ASP A 45 130.567 -6.023 5.809 1.00 0.00 H new ATOM 0 HB2 ASP A 45 128.731 -8.028 4.776 1.00 0.00 H new ATOM 0 HB3 ASP A 45 130.149 -8.019 3.745 1.00 0.00 H new ATOM 747 N LEU A 46 129.749 -5.069 2.839 1.00 0.00 N ATOM 748 CA LEU A 46 130.290 -4.401 1.625 1.00 0.00 C ATOM 749 C LEU A 46 130.717 -2.971 1.958 1.00 0.00 C ATOM 750 O LEU A 46 131.708 -2.479 1.461 1.00 0.00 O ATOM 751 CB LEU A 46 129.135 -4.403 0.621 1.00 0.00 C ATOM 752 CG LEU A 46 129.073 -5.763 -0.077 1.00 0.00 C ATOM 753 CD1 LEU A 46 127.648 -6.018 -0.573 1.00 0.00 C ATOM 754 CD2 LEU A 46 130.034 -5.769 -1.267 1.00 0.00 C ATOM 0 H LEU A 46 128.731 -5.090 2.905 1.00 0.00 H new ATOM 0 HA LEU A 46 131.169 -4.909 1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 46 128.194 -4.201 1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 46 129.276 -3.610 -0.114 1.00 0.00 H new ATOM 0 HG LEU A 46 129.359 -6.545 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 46 127.604 -6.987 -1.070 1.00 0.00 H new ATOM 0 HD12 LEU A 46 126.962 -6.013 0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 46 127.362 -5.236 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 46 129.991 -6.738 -1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 46 129.748 -4.987 -1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 46 131.050 -5.587 -0.915 1.00 0.00 H new ATOM 766 N THR A 47 129.984 -2.299 2.805 1.00 0.00 N ATOM 767 CA THR A 47 130.373 -0.906 3.163 1.00 0.00 C ATOM 768 C THR A 47 131.823 -0.894 3.639 1.00 0.00 C ATOM 769 O THR A 47 132.601 -0.034 3.276 1.00 0.00 O ATOM 770 CB THR A 47 129.437 -0.481 4.298 1.00 0.00 C ATOM 771 OG1 THR A 47 129.559 -1.390 5.380 1.00 0.00 O ATOM 772 CG2 THR A 47 127.995 -0.465 3.797 1.00 0.00 C ATOM 0 H THR A 47 129.141 -2.650 3.260 1.00 0.00 H new ATOM 0 HA THR A 47 130.292 -0.227 2.314 1.00 0.00 H new ATOM 0 HB THR A 47 129.709 0.519 4.636 1.00 0.00 H new ATOM 0 HG1 THR A 47 129.140 -2.243 5.140 1.00 0.00 H new ATOM 0 HG21 THR A 47 127.332 -0.162 4.607 1.00 0.00 H new ATOM 0 HG22 THR A 47 127.905 0.241 2.971 1.00 0.00 H new ATOM 0 HG23 THR A 47 127.718 -1.462 3.455 1.00 0.00 H new ATOM 780 N TYR A 48 132.194 -1.849 4.447 1.00 0.00 N ATOM 781 CA TYR A 48 133.602 -1.896 4.939 1.00 0.00 C ATOM 782 C TYR A 48 134.558 -1.612 3.780 1.00 0.00 C ATOM 783 O TYR A 48 135.530 -0.897 3.919 1.00 0.00 O ATOM 784 CB TYR A 48 133.797 -3.321 5.458 1.00 0.00 C ATOM 785 CG TYR A 48 132.964 -3.525 6.700 1.00 0.00 C ATOM 786 CD1 TYR A 48 133.479 -3.177 7.955 1.00 0.00 C ATOM 787 CD2 TYR A 48 131.677 -4.063 6.596 1.00 0.00 C ATOM 788 CE1 TYR A 48 132.706 -3.368 9.106 1.00 0.00 C ATOM 789 CE2 TYR A 48 130.903 -4.253 7.748 1.00 0.00 C ATOM 790 CZ TYR A 48 131.418 -3.905 9.002 1.00 0.00 C ATOM 791 OH TYR A 48 130.654 -4.092 10.136 1.00 0.00 O ATOM 0 H TYR A 48 131.588 -2.595 4.787 1.00 0.00 H new ATOM 0 HA TYR A 48 133.800 -1.156 5.714 1.00 0.00 H new ATOM 0 HB2 TYR A 48 133.508 -4.041 4.692 1.00 0.00 H new ATOM 0 HB3 TYR A 48 134.849 -3.497 5.681 1.00 0.00 H new ATOM 0 HD1 TYR A 48 134.473 -2.761 8.035 1.00 0.00 H new ATOM 0 HD2 TYR A 48 131.280 -4.332 5.628 1.00 0.00 H new ATOM 0 HE1 TYR A 48 133.103 -3.101 10.074 1.00 0.00 H new ATOM 0 HE2 TYR A 48 129.909 -4.668 7.669 1.00 0.00 H new ATOM 0 HH TYR A 48 129.749 -4.366 9.879 1.00 0.00 H new ATOM 801 N ASN A 49 134.278 -2.164 2.631 1.00 0.00 N ATOM 802 CA ASN A 49 135.154 -1.927 1.447 1.00 0.00 C ATOM 803 C ASN A 49 134.928 -0.528 0.897 1.00 0.00 C ATOM 804 O ASN A 49 134.071 -0.305 0.066 1.00 0.00 O ATOM 805 CB ASN A 49 134.742 -2.985 0.424 1.00 0.00 C ATOM 806 CG ASN A 49 135.980 -3.753 -0.046 1.00 0.00 C ATOM 807 OD1 ASN A 49 136.601 -3.387 -1.023 1.00 0.00 O ATOM 808 ND2 ASN A 49 136.366 -4.811 0.614 1.00 0.00 N ATOM 0 H ASN A 49 133.477 -2.772 2.460 1.00 0.00 H new ATOM 0 HA ASN A 49 136.212 -2.000 1.697 1.00 0.00 H new ATOM 0 HB2 ASN A 49 134.021 -3.672 0.867 1.00 0.00 H new ATOM 0 HB3 ASN A 49 134.251 -2.512 -0.426 1.00 0.00 H new ATOM 0 HD21 ASN A 49 137.189 -5.330 0.309 1.00 0.00 H new ATOM 0 HD22 ASN A 49 135.844 -5.119 1.435 1.00 0.00 H new ATOM 815 N VAL A 50 135.733 0.388 1.358 1.00 0.00 N ATOM 816 CA VAL A 50 135.690 1.813 0.908 1.00 0.00 C ATOM 817 C VAL A 50 134.788 2.016 -0.316 1.00 0.00 C ATOM 818 O VAL A 50 133.850 2.788 -0.283 1.00 0.00 O ATOM 819 CB VAL A 50 137.153 2.137 0.561 1.00 0.00 C ATOM 820 CG1 VAL A 50 137.877 2.603 1.824 1.00 0.00 C ATOM 821 CG2 VAL A 50 137.874 0.889 0.001 1.00 0.00 C ATOM 0 H VAL A 50 136.450 0.200 2.058 1.00 0.00 H new ATOM 0 HA VAL A 50 135.273 2.463 1.677 1.00 0.00 H new ATOM 0 HB VAL A 50 137.165 2.920 -0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 50 138.915 2.834 1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 50 137.388 3.495 2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 50 137.845 1.813 2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 50 138.907 1.142 -0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 50 137.858 0.094 0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 50 137.366 0.550 -0.902 1.00 0.00 H new ATOM 831 N VAL A 51 135.059 1.332 -1.395 1.00 0.00 N ATOM 832 CA VAL A 51 134.210 1.493 -2.611 1.00 0.00 C ATOM 833 C VAL A 51 132.791 1.009 -2.335 1.00 0.00 C ATOM 834 O VAL A 51 131.839 1.761 -2.379 1.00 0.00 O ATOM 835 CB VAL A 51 134.861 0.601 -3.675 1.00 0.00 C ATOM 836 CG1 VAL A 51 133.815 0.168 -4.721 1.00 0.00 C ATOM 837 CG2 VAL A 51 135.982 1.378 -4.367 1.00 0.00 C ATOM 0 H VAL A 51 135.830 0.670 -1.487 1.00 0.00 H new ATOM 0 HA VAL A 51 134.145 2.535 -2.924 1.00 0.00 H new ATOM 0 HB VAL A 51 135.268 -0.288 -3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 51 134.290 -0.465 -5.471 1.00 0.00 H new ATOM 0 HG12 VAL A 51 133.017 -0.389 -4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 51 133.397 1.051 -5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 51 136.448 0.748 -5.124 1.00 0.00 H new ATOM 0 HG22 VAL A 51 135.569 2.269 -4.840 1.00 0.00 H new ATOM 0 HG23 VAL A 51 136.729 1.672 -3.630 1.00 0.00 H new ATOM 847 N ALA A 52 132.657 -0.265 -2.100 1.00 0.00 N ATOM 848 CA ALA A 52 131.314 -0.850 -1.870 1.00 0.00 C ATOM 849 C ALA A 52 130.431 0.102 -1.058 1.00 0.00 C ATOM 850 O ALA A 52 129.301 0.367 -1.414 1.00 0.00 O ATOM 851 CB ALA A 52 131.573 -2.140 -1.095 1.00 0.00 C ATOM 0 H ALA A 52 133.429 -0.930 -2.058 1.00 0.00 H new ATOM 0 HA ALA A 52 130.785 -1.032 -2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 52 130.625 -2.635 -0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 52 132.203 -2.801 -1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 52 132.076 -1.906 -0.157 1.00 0.00 H new ATOM 857 N PHE A 53 130.936 0.617 0.029 1.00 0.00 N ATOM 858 CA PHE A 53 130.123 1.549 0.862 1.00 0.00 C ATOM 859 C PHE A 53 129.616 2.719 0.007 1.00 0.00 C ATOM 860 O PHE A 53 128.437 3.009 -0.027 1.00 0.00 O ATOM 861 CB PHE A 53 131.089 2.035 1.952 1.00 0.00 C ATOM 862 CG PHE A 53 130.658 3.388 2.466 1.00 0.00 C ATOM 863 CD1 PHE A 53 129.366 3.566 2.975 1.00 0.00 C ATOM 864 CD2 PHE A 53 131.549 4.465 2.421 1.00 0.00 C ATOM 865 CE1 PHE A 53 128.969 4.824 3.442 1.00 0.00 C ATOM 866 CE2 PHE A 53 131.153 5.722 2.889 1.00 0.00 C ATOM 867 CZ PHE A 53 129.861 5.902 3.399 1.00 0.00 C ATOM 0 H PHE A 53 131.877 0.433 0.377 1.00 0.00 H new ATOM 0 HA PHE A 53 129.239 1.074 1.287 1.00 0.00 H new ATOM 0 HB2 PHE A 53 131.114 1.317 2.772 1.00 0.00 H new ATOM 0 HB3 PHE A 53 132.101 2.096 1.551 1.00 0.00 H new ATOM 0 HD1 PHE A 53 128.677 2.735 3.007 1.00 0.00 H new ATOM 0 HD2 PHE A 53 132.544 4.326 2.024 1.00 0.00 H new ATOM 0 HE1 PHE A 53 127.973 4.963 3.836 1.00 0.00 H new ATOM 0 HE2 PHE A 53 131.842 6.553 2.857 1.00 0.00 H new ATOM 0 HZ PHE A 53 129.553 6.872 3.759 1.00 0.00 H new ATOM 877 N SER A 54 130.497 3.395 -0.675 1.00 0.00 N ATOM 878 CA SER A 54 130.063 4.547 -1.517 1.00 0.00 C ATOM 879 C SER A 54 129.020 4.096 -2.542 1.00 0.00 C ATOM 880 O SER A 54 128.204 4.875 -2.994 1.00 0.00 O ATOM 881 CB SER A 54 131.335 5.024 -2.219 1.00 0.00 C ATOM 882 OG SER A 54 131.235 6.420 -2.469 1.00 0.00 O ATOM 0 H SER A 54 131.498 3.201 -0.687 1.00 0.00 H new ATOM 0 HA SER A 54 129.601 5.338 -0.926 1.00 0.00 H new ATOM 0 HB2 SER A 54 132.207 4.815 -1.599 1.00 0.00 H new ATOM 0 HB3 SER A 54 131.472 4.484 -3.156 1.00 0.00 H new ATOM 0 HG SER A 54 132.049 6.731 -2.917 1.00 0.00 H new ATOM 888 N GLU A 55 129.040 2.847 -2.916 1.00 0.00 N ATOM 889 CA GLU A 55 128.051 2.351 -3.913 1.00 0.00 C ATOM 890 C GLU A 55 126.766 1.895 -3.213 1.00 0.00 C ATOM 891 O GLU A 55 125.717 1.803 -3.819 1.00 0.00 O ATOM 892 CB GLU A 55 128.740 1.168 -4.597 1.00 0.00 C ATOM 893 CG GLU A 55 130.147 1.579 -5.039 1.00 0.00 C ATOM 894 CD GLU A 55 130.207 1.637 -6.566 1.00 0.00 C ATOM 895 OE1 GLU A 55 129.426 0.943 -7.197 1.00 0.00 O ATOM 896 OE2 GLU A 55 131.032 2.373 -7.080 1.00 0.00 O ATOM 0 H GLU A 55 129.699 2.148 -2.574 1.00 0.00 H new ATOM 0 HA GLU A 55 127.762 3.124 -4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 55 128.796 0.321 -3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 55 128.157 0.844 -5.459 1.00 0.00 H new ATOM 0 HG2 GLU A 55 130.402 2.551 -4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 55 130.880 0.866 -4.663 1.00 0.00 H new ATOM 903 N ILE A 56 126.840 1.607 -1.942 1.00 0.00 N ATOM 904 CA ILE A 56 125.624 1.155 -1.206 1.00 0.00 C ATOM 905 C ILE A 56 124.740 2.354 -0.853 1.00 0.00 C ATOM 906 O ILE A 56 123.672 2.530 -1.404 1.00 0.00 O ATOM 907 CB ILE A 56 126.160 0.486 0.060 1.00 0.00 C ATOM 908 CG1 ILE A 56 126.757 -0.873 -0.306 1.00 0.00 C ATOM 909 CG2 ILE A 56 125.020 0.291 1.062 1.00 0.00 C ATOM 910 CD1 ILE A 56 127.934 -1.185 0.618 1.00 0.00 C ATOM 0 H ILE A 56 127.690 1.665 -1.381 1.00 0.00 H new ATOM 0 HA ILE A 56 125.009 0.477 -1.797 1.00 0.00 H new ATOM 0 HB ILE A 56 126.928 1.116 0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 56 125.998 -1.650 -0.218 1.00 0.00 H new ATOM 0 HG13 ILE A 56 127.089 -0.867 -1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 56 125.405 -0.186 1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 56 124.592 1.260 1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 56 124.250 -0.340 0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 56 128.357 -2.154 0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 56 128.697 -0.414 0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 56 127.589 -1.209 1.652 1.00 0.00 H new ATOM 922 N MET A 57 125.176 3.183 0.056 1.00 0.00 N ATOM 923 CA MET A 57 124.357 4.371 0.433 1.00 0.00 C ATOM 924 C MET A 57 123.943 5.138 -0.824 1.00 0.00 C ATOM 925 O MET A 57 122.849 5.658 -0.913 1.00 0.00 O ATOM 926 CB MET A 57 125.277 5.226 1.306 1.00 0.00 C ATOM 927 CG MET A 57 125.454 4.554 2.670 1.00 0.00 C ATOM 928 SD MET A 57 125.620 5.821 3.952 1.00 0.00 S ATOM 929 CE MET A 57 124.070 6.690 3.614 1.00 0.00 C ATOM 0 H MET A 57 126.062 3.090 0.553 1.00 0.00 H new ATOM 0 HA MET A 57 123.442 4.097 0.957 1.00 0.00 H new ATOM 0 HB2 MET A 57 126.245 5.349 0.821 1.00 0.00 H new ATOM 0 HB3 MET A 57 124.854 6.223 1.432 1.00 0.00 H new ATOM 0 HG2 MET A 57 124.598 3.914 2.885 1.00 0.00 H new ATOM 0 HG3 MET A 57 126.336 3.914 2.660 1.00 0.00 H new ATOM 0 HE1 MET A 57 123.620 7.011 4.554 1.00 0.00 H new ATOM 0 HE2 MET A 57 124.270 7.562 2.991 1.00 0.00 H new ATOM 0 HE3 MET A 57 123.384 6.022 3.093 1.00 0.00 H new ATOM 939 N SER A 58 124.807 5.206 -1.800 1.00 0.00 N ATOM 940 CA SER A 58 124.456 5.934 -3.053 1.00 0.00 C ATOM 941 C SER A 58 123.147 5.383 -3.622 1.00 0.00 C ATOM 942 O SER A 58 122.173 6.097 -3.762 1.00 0.00 O ATOM 943 CB SER A 58 125.615 5.660 -4.011 1.00 0.00 C ATOM 944 OG SER A 58 125.381 6.341 -5.236 1.00 0.00 O ATOM 0 H SER A 58 125.738 4.790 -1.784 1.00 0.00 H new ATOM 0 HA SER A 58 124.312 7.002 -2.888 1.00 0.00 H new ATOM 0 HB2 SER A 58 126.554 5.994 -3.569 1.00 0.00 H new ATOM 0 HB3 SER A 58 125.710 4.589 -4.189 1.00 0.00 H new ATOM 0 HG SER A 58 126.123 6.169 -5.853 1.00 0.00 H new ATOM 950 N MET A 59 123.113 4.118 -3.942 1.00 0.00 N ATOM 951 CA MET A 59 121.859 3.527 -4.490 1.00 0.00 C ATOM 952 C MET A 59 120.723 3.708 -3.481 1.00 0.00 C ATOM 953 O MET A 59 119.567 3.809 -3.840 1.00 0.00 O ATOM 954 CB MET A 59 122.174 2.044 -4.689 1.00 0.00 C ATOM 955 CG MET A 59 122.746 1.828 -6.091 1.00 0.00 C ATOM 956 SD MET A 59 121.419 1.323 -7.213 1.00 0.00 S ATOM 957 CE MET A 59 122.163 -0.236 -7.754 1.00 0.00 C ATOM 0 H MET A 59 123.896 3.471 -3.848 1.00 0.00 H new ATOM 0 HA MET A 59 121.543 3.999 -5.420 1.00 0.00 H new ATOM 0 HB2 MET A 59 122.889 1.709 -3.937 1.00 0.00 H new ATOM 0 HB3 MET A 59 121.271 1.448 -4.557 1.00 0.00 H new ATOM 0 HG2 MET A 59 123.211 2.746 -6.451 1.00 0.00 H new ATOM 0 HG3 MET A 59 123.524 1.065 -6.064 1.00 0.00 H new ATOM 0 HE1 MET A 59 121.385 -0.992 -7.863 1.00 0.00 H new ATOM 0 HE2 MET A 59 122.662 -0.088 -8.712 1.00 0.00 H new ATOM 0 HE3 MET A 59 122.891 -0.568 -7.014 1.00 0.00 H new ATOM 967 N ILE A 60 121.051 3.756 -2.218 1.00 0.00 N ATOM 968 CA ILE A 60 120.002 3.937 -1.177 1.00 0.00 C ATOM 969 C ILE A 60 119.383 5.338 -1.306 1.00 0.00 C ATOM 970 O ILE A 60 118.220 5.542 -1.022 1.00 0.00 O ATOM 971 CB ILE A 60 120.748 3.748 0.158 1.00 0.00 C ATOM 972 CG1 ILE A 60 120.477 2.338 0.690 1.00 0.00 C ATOM 973 CG2 ILE A 60 120.283 4.773 1.198 1.00 0.00 C ATOM 974 CD1 ILE A 60 121.800 1.589 0.864 1.00 0.00 C ATOM 0 H ILE A 60 122.004 3.677 -1.863 1.00 0.00 H new ATOM 0 HA ILE A 60 119.174 3.234 -1.265 1.00 0.00 H new ATOM 0 HB ILE A 60 121.814 3.891 -0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 60 119.951 2.393 1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 60 119.830 1.797 0.000 1.00 0.00 H new ATOM 0 HG21 ILE A 60 120.825 4.617 2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 60 120.478 5.780 0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 60 119.214 4.652 1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 60 121.603 0.586 1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 60 122.309 1.520 -0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 60 122.432 2.126 1.571 1.00 0.00 H new ATOM 986 N TRP A 61 120.153 6.301 -1.735 1.00 0.00 N ATOM 987 CA TRP A 61 119.608 7.682 -1.884 1.00 0.00 C ATOM 988 C TRP A 61 118.734 7.773 -3.139 1.00 0.00 C ATOM 989 O TRP A 61 117.637 8.294 -3.106 1.00 0.00 O ATOM 990 CB TRP A 61 120.837 8.581 -2.023 1.00 0.00 C ATOM 991 CG TRP A 61 121.597 8.594 -0.736 1.00 0.00 C ATOM 992 CD1 TRP A 61 122.903 8.271 -0.602 1.00 0.00 C ATOM 993 CD2 TRP A 61 121.121 8.942 0.596 1.00 0.00 C ATOM 994 NE1 TRP A 61 123.260 8.399 0.729 1.00 0.00 N ATOM 995 CE2 TRP A 61 122.196 8.810 1.507 1.00 0.00 C ATOM 996 CE3 TRP A 61 119.874 9.356 1.097 1.00 0.00 C ATOM 997 CZ2 TRP A 61 122.038 9.077 2.867 1.00 0.00 C ATOM 998 CZ3 TRP A 61 119.712 9.627 2.466 1.00 0.00 C ATOM 999 CH2 TRP A 61 120.792 9.487 3.349 1.00 0.00 C ATOM 0 H TRP A 61 121.135 6.192 -1.989 1.00 0.00 H new ATOM 0 HA TRP A 61 118.984 7.972 -1.039 1.00 0.00 H new ATOM 0 HB2 TRP A 61 121.475 8.220 -2.830 1.00 0.00 H new ATOM 0 HB3 TRP A 61 120.531 9.593 -2.287 1.00 0.00 H new ATOM 0 HD1 TRP A 61 123.560 7.964 -1.402 1.00 0.00 H new ATOM 0 HE1 TRP A 61 124.195 8.212 1.091 1.00 0.00 H new ATOM 0 HE3 TRP A 61 119.036 9.466 0.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 122.873 8.968 3.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 118.750 9.945 2.840 1.00 0.00 H new ATOM 0 HH2 TRP A 61 120.661 9.696 4.401 1.00 0.00 H new ATOM 1010 N LYS A 62 119.215 7.273 -4.244 1.00 0.00 N ATOM 1011 CA LYS A 62 118.416 7.333 -5.502 1.00 0.00 C ATOM 1012 C LYS A 62 116.995 6.816 -5.257 1.00 0.00 C ATOM 1013 O LYS A 62 116.028 7.536 -5.415 1.00 0.00 O ATOM 1014 CB LYS A 62 119.156 6.422 -6.483 1.00 0.00 C ATOM 1015 CG LYS A 62 120.384 7.152 -7.030 1.00 0.00 C ATOM 1016 CD LYS A 62 121.558 6.176 -7.128 1.00 0.00 C ATOM 1017 CE LYS A 62 122.152 6.230 -8.537 1.00 0.00 C ATOM 1018 NZ LYS A 62 123.592 5.895 -8.360 1.00 0.00 N ATOM 0 H LYS A 62 120.127 6.825 -4.331 1.00 0.00 H new ATOM 0 HA LYS A 62 118.320 8.351 -5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 62 119.459 5.502 -5.983 1.00 0.00 H new ATOM 0 HB3 LYS A 62 118.495 6.137 -7.301 1.00 0.00 H new ATOM 0 HG2 LYS A 62 120.163 7.571 -8.012 1.00 0.00 H new ATOM 0 HG3 LYS A 62 120.644 7.986 -6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 62 122.319 6.432 -6.391 1.00 0.00 H new ATOM 0 HD3 LYS A 62 121.223 5.164 -6.902 1.00 0.00 H new ATOM 0 HE2 LYS A 62 121.660 5.519 -9.201 1.00 0.00 H new ATOM 0 HE3 LYS A 62 122.028 7.218 -8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 124.068 5.912 -9.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 124.036 6.593 -7.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 123.679 4.946 -7.943 1.00 0.00 H new ATOM 1032 N ARG A 63 116.860 5.575 -4.875 1.00 0.00 N ATOM 1033 CA ARG A 63 115.500 5.016 -4.623 1.00 0.00 C ATOM 1034 C ARG A 63 114.841 5.740 -3.447 1.00 0.00 C ATOM 1035 O ARG A 63 113.637 5.713 -3.285 1.00 0.00 O ATOM 1036 CB ARG A 63 115.734 3.544 -4.286 1.00 0.00 C ATOM 1037 CG ARG A 63 116.446 2.859 -5.455 1.00 0.00 C ATOM 1038 CD ARG A 63 115.733 3.209 -6.763 1.00 0.00 C ATOM 1039 NE ARG A 63 115.897 2.005 -7.623 1.00 0.00 N ATOM 1040 CZ ARG A 63 116.937 1.898 -8.402 1.00 0.00 C ATOM 1041 NH1 ARG A 63 117.182 2.820 -9.293 1.00 0.00 N ATOM 1042 NH2 ARG A 63 117.733 0.869 -8.291 1.00 0.00 N ATOM 0 H ARG A 63 117.631 4.924 -4.727 1.00 0.00 H new ATOM 0 HA ARG A 63 114.837 5.137 -5.480 1.00 0.00 H new ATOM 0 HB2 ARG A 63 116.334 3.458 -3.380 1.00 0.00 H new ATOM 0 HB3 ARG A 63 114.783 3.050 -4.086 1.00 0.00 H new ATOM 0 HG2 ARG A 63 117.487 3.180 -5.499 1.00 0.00 H new ATOM 0 HG3 ARG A 63 116.451 1.779 -5.309 1.00 0.00 H new ATOM 0 HD2 ARG A 63 114.680 3.431 -6.592 1.00 0.00 H new ATOM 0 HD3 ARG A 63 116.173 4.090 -7.229 1.00 0.00 H new ATOM 0 HE ARG A 63 115.196 1.264 -7.603 1.00 0.00 H new ATOM 0 HH11 ARG A 63 116.560 3.624 -9.380 1.00 0.00 H new ATOM 0 HH12 ARG A 63 117.996 2.737 -9.903 1.00 0.00 H new ATOM 0 HH21 ARG A 63 117.541 0.149 -7.595 1.00 0.00 H new ATOM 0 HH22 ARG A 63 118.547 0.785 -8.901 1.00 0.00 H new ATOM 1056 N LEU A 64 115.619 6.387 -2.623 1.00 0.00 N ATOM 1057 CA LEU A 64 115.035 7.111 -1.459 1.00 0.00 C ATOM 1058 C LEU A 64 114.268 8.346 -1.932 1.00 0.00 C ATOM 1059 O LEU A 64 113.425 8.872 -1.233 1.00 0.00 O ATOM 1060 CB LEU A 64 116.235 7.525 -0.609 1.00 0.00 C ATOM 1061 CG LEU A 64 116.256 6.693 0.673 1.00 0.00 C ATOM 1062 CD1 LEU A 64 117.431 7.126 1.551 1.00 0.00 C ATOM 1063 CD2 LEU A 64 114.942 6.906 1.430 1.00 0.00 C ATOM 0 H LEU A 64 116.634 6.445 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 64 114.331 6.493 -0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 64 117.159 7.377 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 64 116.175 8.586 -0.367 1.00 0.00 H new ATOM 0 HG LEU A 64 116.369 5.638 0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 64 117.442 6.530 2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 64 118.365 6.977 1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.325 8.180 1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 64 114.950 6.315 2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 64 114.833 7.961 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 64 114.106 6.593 0.804 1.00 0.00 H new ATOM 1075 N ASN A 65 114.554 8.816 -3.115 1.00 0.00 N ATOM 1076 CA ASN A 65 113.843 10.016 -3.626 1.00 0.00 C ATOM 1077 C ASN A 65 112.841 9.615 -4.711 1.00 0.00 C ATOM 1078 O ASN A 65 112.659 10.311 -5.691 1.00 0.00 O ATOM 1079 CB ASN A 65 114.939 10.910 -4.208 1.00 0.00 C ATOM 1080 CG ASN A 65 115.382 11.925 -3.154 1.00 0.00 C ATOM 1081 OD1 ASN A 65 114.566 12.630 -2.592 1.00 0.00 O ATOM 1082 ND2 ASN A 65 116.648 12.032 -2.858 1.00 0.00 N ATOM 0 H ASN A 65 115.249 8.420 -3.748 1.00 0.00 H new ATOM 0 HA ASN A 65 113.277 10.524 -2.845 1.00 0.00 H new ATOM 0 HB2 ASN A 65 115.788 10.304 -4.524 1.00 0.00 H new ATOM 0 HB3 ASN A 65 114.569 11.427 -5.094 1.00 0.00 H new ATOM 0 HD21 ASN A 65 116.952 12.706 -2.156 1.00 0.00 H new ATOM 0 HD22 ASN A 65 117.333 11.441 -3.329 1.00 0.00 H new ATOM 1161 N TRP A 71 106.653 5.195 -3.658 1.00 0.00 N ATOM 1162 CA TRP A 71 107.185 5.387 -2.278 1.00 0.00 C ATOM 1163 C TRP A 71 107.620 4.045 -1.685 1.00 0.00 C ATOM 1164 O TRP A 71 108.363 3.992 -0.724 1.00 0.00 O ATOM 1165 CB TRP A 71 106.019 5.973 -1.481 1.00 0.00 C ATOM 1166 CG TRP A 71 104.787 5.162 -1.726 1.00 0.00 C ATOM 1167 CD1 TRP A 71 103.805 5.486 -2.598 1.00 0.00 C ATOM 1168 CD2 TRP A 71 104.387 3.903 -1.109 1.00 0.00 C ATOM 1169 NE1 TRP A 71 102.828 4.508 -2.556 1.00 0.00 N ATOM 1170 CE2 TRP A 71 103.142 3.511 -1.654 1.00 0.00 C ATOM 1171 CE3 TRP A 71 104.980 3.074 -0.140 1.00 0.00 C ATOM 1172 CZ2 TRP A 71 102.506 2.335 -1.250 1.00 0.00 C ATOM 1173 CZ3 TRP A 71 104.343 1.890 0.267 1.00 0.00 C ATOM 1174 CH2 TRP A 71 103.109 1.522 -0.287 1.00 0.00 C ATOM 0 HA TRP A 71 108.059 6.038 -2.261 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.258 5.978 -0.418 1.00 0.00 H new ATOM 0 HB3 TRP A 71 105.849 7.009 -1.774 1.00 0.00 H new ATOM 0 HD1 TRP A 71 103.787 6.365 -3.225 1.00 0.00 H new ATOM 0 HE1 TRP A 71 101.980 4.522 -3.122 1.00 0.00 H new ATOM 0 HE3 TRP A 71 105.930 3.349 0.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 101.555 2.056 -1.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 104.807 1.259 1.011 1.00 0.00 H new ATOM 0 HH2 TRP A 71 102.625 0.610 0.030 1.00 0.00 H new ATOM 1185 N ARG A 72 107.165 2.959 -2.249 1.00 0.00 N ATOM 1186 CA ARG A 72 107.555 1.622 -1.715 1.00 0.00 C ATOM 1187 C ARG A 72 109.080 1.508 -1.635 1.00 0.00 C ATOM 1188 O ARG A 72 109.625 0.998 -0.675 1.00 0.00 O ATOM 1189 CB ARG A 72 106.994 0.616 -2.721 1.00 0.00 C ATOM 1190 CG ARG A 72 105.481 0.497 -2.534 1.00 0.00 C ATOM 1191 CD ARG A 72 104.786 0.645 -3.890 1.00 0.00 C ATOM 1192 NE ARG A 72 104.154 -0.679 -4.144 1.00 0.00 N ATOM 1193 CZ ARG A 72 103.083 -0.760 -4.885 1.00 0.00 C ATOM 1194 NH1 ARG A 72 103.174 -0.629 -6.180 1.00 0.00 N ATOM 1195 NH2 ARG A 72 101.921 -0.972 -4.330 1.00 0.00 N ATOM 0 H ARG A 72 106.541 2.939 -3.055 1.00 0.00 H new ATOM 0 HA ARG A 72 107.171 1.451 -0.709 1.00 0.00 H new ATOM 0 HB2 ARG A 72 107.221 0.937 -3.738 1.00 0.00 H new ATOM 0 HB3 ARG A 72 107.466 -0.356 -2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 72 105.233 -0.467 -2.090 1.00 0.00 H new ATOM 0 HG3 ARG A 72 105.127 1.265 -1.846 1.00 0.00 H new ATOM 0 HD2 ARG A 72 104.041 1.440 -3.867 1.00 0.00 H new ATOM 0 HD3 ARG A 72 105.500 0.899 -4.674 1.00 0.00 H new ATOM 0 HE ARG A 72 104.558 -1.523 -3.739 1.00 0.00 H new ATOM 0 HH11 ARG A 72 104.082 -0.463 -6.613 1.00 0.00 H new ATOM 0 HH12 ARG A 72 102.337 -0.692 -6.759 1.00 0.00 H new ATOM 0 HH21 ARG A 72 101.850 -1.074 -3.318 1.00 0.00 H new ATOM 0 HH22 ARG A 72 101.083 -1.035 -4.909 1.00 0.00 H new ATOM 1209 N HIS A 73 109.774 1.978 -2.636 1.00 0.00 N ATOM 1210 CA HIS A 73 111.263 1.895 -2.615 1.00 0.00 C ATOM 1211 C HIS A 73 111.827 2.776 -1.497 1.00 0.00 C ATOM 1212 O HIS A 73 112.766 2.408 -0.818 1.00 0.00 O ATOM 1213 CB HIS A 73 111.707 2.413 -3.983 1.00 0.00 C ATOM 1214 CG HIS A 73 111.188 1.499 -5.058 1.00 0.00 C ATOM 1215 ND1 HIS A 73 111.595 1.605 -6.379 1.00 0.00 N ATOM 1216 CD2 HIS A 73 110.294 0.458 -5.023 1.00 0.00 C ATOM 1217 CE1 HIS A 73 110.952 0.652 -7.079 1.00 0.00 C ATOM 1218 NE2 HIS A 73 110.146 -0.076 -6.300 1.00 0.00 N ATOM 0 H HIS A 73 109.375 2.415 -3.467 1.00 0.00 H new ATOM 0 HA HIS A 73 111.618 0.881 -2.428 1.00 0.00 H new ATOM 0 HB2 HIS A 73 111.333 3.425 -4.139 1.00 0.00 H new ATOM 0 HB3 HIS A 73 112.795 2.465 -4.029 1.00 0.00 H new ATOM 0 HD2 HIS A 73 109.783 0.107 -4.139 1.00 0.00 H new ATOM 0 HE1 HIS A 73 111.073 0.495 -8.141 1.00 0.00 H new ATOM 0 HE2 HIS A 73 109.551 -0.855 -6.581 1.00 0.00 H new ATOM 1226 N VAL A 74 111.264 3.936 -1.299 1.00 0.00 N ATOM 1227 CA VAL A 74 111.769 4.837 -0.223 1.00 0.00 C ATOM 1228 C VAL A 74 111.761 4.108 1.123 1.00 0.00 C ATOM 1229 O VAL A 74 112.773 3.995 1.784 1.00 0.00 O ATOM 1230 CB VAL A 74 110.794 6.017 -0.205 1.00 0.00 C ATOM 1231 CG1 VAL A 74 110.894 6.748 1.137 1.00 0.00 C ATOM 1232 CG2 VAL A 74 111.148 6.984 -1.337 1.00 0.00 C ATOM 0 H VAL A 74 110.476 4.300 -1.835 1.00 0.00 H new ATOM 0 HA VAL A 74 112.795 5.161 -0.400 1.00 0.00 H new ATOM 0 HB VAL A 74 109.777 5.648 -0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 74 110.199 7.587 1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 74 110.644 6.061 1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 74 111.910 7.117 1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 74 110.455 7.825 -1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 74 112.165 7.350 -1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 74 111.076 6.466 -2.294 1.00 0.00 H new ATOM 1242 N TYR A 75 110.625 3.619 1.537 1.00 0.00 N ATOM 1243 CA TYR A 75 110.557 2.902 2.842 1.00 0.00 C ATOM 1244 C TYR A 75 111.678 1.866 2.929 1.00 0.00 C ATOM 1245 O TYR A 75 112.587 1.985 3.726 1.00 0.00 O ATOM 1246 CB TYR A 75 109.191 2.216 2.849 1.00 0.00 C ATOM 1247 CG TYR A 75 108.927 1.642 4.220 1.00 0.00 C ATOM 1248 CD1 TYR A 75 109.111 2.436 5.358 1.00 0.00 C ATOM 1249 CD2 TYR A 75 108.500 0.316 4.354 1.00 0.00 C ATOM 1250 CE1 TYR A 75 108.867 1.904 6.630 1.00 0.00 C ATOM 1251 CE2 TYR A 75 108.256 -0.217 5.625 1.00 0.00 C ATOM 1252 CZ TYR A 75 108.440 0.577 6.764 1.00 0.00 C ATOM 1253 OH TYR A 75 108.199 0.053 8.017 1.00 0.00 O ATOM 0 H TYR A 75 109.742 3.684 1.030 1.00 0.00 H new ATOM 0 HA TYR A 75 110.677 3.575 3.691 1.00 0.00 H new ATOM 0 HB2 TYR A 75 108.411 2.931 2.585 1.00 0.00 H new ATOM 0 HB3 TYR A 75 109.165 1.425 2.100 1.00 0.00 H new ATOM 0 HD1 TYR A 75 109.441 3.459 5.255 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.359 -0.297 3.476 1.00 0.00 H new ATOM 0 HE1 TYR A 75 109.008 2.517 7.508 1.00 0.00 H new ATOM 0 HE2 TYR A 75 107.926 -1.240 5.727 1.00 0.00 H new ATOM 0 HH TYR A 75 107.909 -0.879 7.931 1.00 0.00 H new ATOM 1263 N LYS A 76 111.620 0.851 2.112 1.00 0.00 N ATOM 1264 CA LYS A 76 112.684 -0.191 2.145 1.00 0.00 C ATOM 1265 C LYS A 76 114.064 0.470 2.110 1.00 0.00 C ATOM 1266 O LYS A 76 115.042 -0.086 2.570 1.00 0.00 O ATOM 1267 CB LYS A 76 112.456 -1.027 0.887 1.00 0.00 C ATOM 1268 CG LYS A 76 111.157 -1.821 1.030 1.00 0.00 C ATOM 1269 CD LYS A 76 111.451 -3.314 0.871 1.00 0.00 C ATOM 1270 CE LYS A 76 112.210 -3.817 2.101 1.00 0.00 C ATOM 1271 NZ LYS A 76 111.336 -4.873 2.685 1.00 0.00 N ATOM 0 H LYS A 76 110.883 0.698 1.424 1.00 0.00 H new ATOM 0 HA LYS A 76 112.644 -0.799 3.049 1.00 0.00 H new ATOM 0 HB2 LYS A 76 112.404 -0.379 0.012 1.00 0.00 H new ATOM 0 HB3 LYS A 76 113.294 -1.706 0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 76 110.707 -1.630 2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 76 110.437 -1.499 0.278 1.00 0.00 H new ATOM 0 HD2 LYS A 76 110.520 -3.869 0.753 1.00 0.00 H new ATOM 0 HD3 LYS A 76 112.041 -3.486 -0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 76 113.185 -4.219 1.826 1.00 0.00 H new ATOM 0 HE3 LYS A 76 112.386 -3.011 2.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 111.788 -5.268 3.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 110.417 -4.460 2.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 111.192 -5.630 1.986 1.00 0.00 H new ATOM 1285 N ALA A 77 114.150 1.655 1.568 1.00 0.00 N ATOM 1286 CA ALA A 77 115.467 2.352 1.507 1.00 0.00 C ATOM 1287 C ALA A 77 115.927 2.733 2.913 1.00 0.00 C ATOM 1288 O ALA A 77 117.039 2.450 3.314 1.00 0.00 O ATOM 1289 CB ALA A 77 115.212 3.605 0.670 1.00 0.00 C ATOM 0 H ALA A 77 113.367 2.170 1.166 1.00 0.00 H new ATOM 0 HA ALA A 77 116.247 1.725 1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 77 116.136 4.175 0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 77 114.864 3.316 -0.321 1.00 0.00 H new ATOM 0 HB3 ALA A 77 114.454 4.219 1.156 1.00 0.00 H new ATOM 1295 N MET A 78 115.078 3.371 3.665 1.00 0.00 N ATOM 1296 CA MET A 78 115.457 3.773 5.050 1.00 0.00 C ATOM 1297 C MET A 78 115.929 2.554 5.843 1.00 0.00 C ATOM 1298 O MET A 78 116.746 2.660 6.736 1.00 0.00 O ATOM 1299 CB MET A 78 114.177 4.341 5.663 1.00 0.00 C ATOM 1300 CG MET A 78 114.033 5.813 5.276 1.00 0.00 C ATOM 1301 SD MET A 78 113.226 5.933 3.662 1.00 0.00 S ATOM 1302 CE MET A 78 111.530 6.102 4.269 1.00 0.00 C ATOM 0 H MET A 78 114.134 3.633 3.381 1.00 0.00 H new ATOM 0 HA MET A 78 116.272 4.497 5.060 1.00 0.00 H new ATOM 0 HB2 MET A 78 113.313 3.776 5.314 1.00 0.00 H new ATOM 0 HB3 MET A 78 114.206 4.241 6.748 1.00 0.00 H new ATOM 0 HG2 MET A 78 113.448 6.343 6.028 1.00 0.00 H new ATOM 0 HG3 MET A 78 115.013 6.289 5.241 1.00 0.00 H new ATOM 0 HE1 MET A 78 110.865 5.481 3.669 1.00 0.00 H new ATOM 0 HE2 MET A 78 111.483 5.783 5.310 1.00 0.00 H new ATOM 0 HE3 MET A 78 111.219 7.144 4.194 1.00 0.00 H new ATOM 1312 N THR A 79 115.416 1.397 5.526 1.00 0.00 N ATOM 1313 CA THR A 79 115.832 0.173 6.267 1.00 0.00 C ATOM 1314 C THR A 79 117.292 -0.161 5.972 1.00 0.00 C ATOM 1315 O THR A 79 118.094 -0.309 6.867 1.00 0.00 O ATOM 1316 CB THR A 79 114.909 -0.935 5.758 1.00 0.00 C ATOM 1317 OG1 THR A 79 113.600 -0.414 5.581 1.00 0.00 O ATOM 1318 CG2 THR A 79 114.874 -2.079 6.772 1.00 0.00 C ATOM 0 H THR A 79 114.728 1.246 4.788 1.00 0.00 H new ATOM 0 HA THR A 79 115.754 0.302 7.347 1.00 0.00 H new ATOM 0 HB THR A 79 115.282 -1.310 4.805 1.00 0.00 H new ATOM 0 HG1 THR A 79 113.008 -1.122 5.253 1.00 0.00 H new ATOM 0 HG21 THR A 79 114.216 -2.868 6.408 1.00 0.00 H new ATOM 0 HG22 THR A 79 115.880 -2.478 6.905 1.00 0.00 H new ATOM 0 HG23 THR A 79 114.502 -1.708 7.727 1.00 0.00 H new ATOM 1326 N LEU A 80 117.643 -0.279 4.727 1.00 0.00 N ATOM 1327 CA LEU A 80 119.057 -0.604 4.388 1.00 0.00 C ATOM 1328 C LEU A 80 119.998 0.425 5.016 1.00 0.00 C ATOM 1329 O LEU A 80 120.929 0.083 5.714 1.00 0.00 O ATOM 1330 CB LEU A 80 119.134 -0.537 2.864 1.00 0.00 C ATOM 1331 CG LEU A 80 120.518 -1.000 2.414 1.00 0.00 C ATOM 1332 CD1 LEU A 80 120.845 -2.340 3.076 1.00 0.00 C ATOM 1333 CD2 LEU A 80 120.534 -1.160 0.892 1.00 0.00 C ATOM 0 H LEU A 80 117.017 -0.166 3.930 1.00 0.00 H new ATOM 0 HA LEU A 80 119.354 -1.583 4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 80 118.364 -1.168 2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 80 118.948 0.481 2.522 1.00 0.00 H new ATOM 0 HG LEU A 80 121.263 -0.260 2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 80 121.833 -2.672 2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 80 120.835 -2.223 4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 80 120.101 -3.081 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 80 121.522 -1.490 0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 80 119.790 -1.900 0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 80 120.301 -0.204 0.423 1.00 0.00 H new ATOM 1345 N MET A 81 119.766 1.684 4.773 1.00 0.00 N ATOM 1346 CA MET A 81 120.654 2.728 5.357 1.00 0.00 C ATOM 1347 C MET A 81 120.733 2.573 6.880 1.00 0.00 C ATOM 1348 O MET A 81 121.690 2.982 7.502 1.00 0.00 O ATOM 1349 CB MET A 81 120.003 4.059 4.982 1.00 0.00 C ATOM 1350 CG MET A 81 121.077 5.146 4.904 1.00 0.00 C ATOM 1351 SD MET A 81 121.069 6.113 6.433 1.00 0.00 S ATOM 1352 CE MET A 81 120.819 7.736 5.672 1.00 0.00 C ATOM 0 H MET A 81 119.002 2.035 4.196 1.00 0.00 H new ATOM 0 HA MET A 81 121.675 2.655 4.982 1.00 0.00 H new ATOM 0 HB2 MET A 81 119.491 3.969 4.024 1.00 0.00 H new ATOM 0 HB3 MET A 81 119.250 4.329 5.722 1.00 0.00 H new ATOM 0 HG2 MET A 81 122.057 4.694 4.752 1.00 0.00 H new ATOM 0 HG3 MET A 81 120.890 5.796 4.049 1.00 0.00 H new ATOM 0 HE1 MET A 81 120.196 8.350 6.322 1.00 0.00 H new ATOM 0 HE2 MET A 81 121.784 8.223 5.528 1.00 0.00 H new ATOM 0 HE3 MET A 81 120.327 7.614 4.707 1.00 0.00 H new ATOM 1362 N GLU A 82 119.736 1.987 7.486 1.00 0.00 N ATOM 1363 CA GLU A 82 119.768 1.814 8.968 1.00 0.00 C ATOM 1364 C GLU A 82 120.654 0.621 9.349 1.00 0.00 C ATOM 1365 O GLU A 82 121.623 0.757 10.068 1.00 0.00 O ATOM 1366 CB GLU A 82 118.315 1.549 9.365 1.00 0.00 C ATOM 1367 CG GLU A 82 118.252 1.146 10.840 1.00 0.00 C ATOM 1368 CD GLU A 82 117.047 1.817 11.502 1.00 0.00 C ATOM 1369 OE1 GLU A 82 117.200 2.929 11.979 1.00 0.00 O ATOM 1370 OE2 GLU A 82 115.991 1.206 11.521 1.00 0.00 O ATOM 0 H GLU A 82 118.904 1.622 7.022 1.00 0.00 H new ATOM 0 HA GLU A 82 120.180 2.687 9.475 1.00 0.00 H new ATOM 0 HB2 GLU A 82 117.712 2.441 9.195 1.00 0.00 H new ATOM 0 HB3 GLU A 82 117.896 0.758 8.743 1.00 0.00 H new ATOM 0 HG2 GLU A 82 118.172 0.063 10.929 1.00 0.00 H new ATOM 0 HG3 GLU A 82 119.170 1.441 11.348 1.00 0.00 H new ATOM 1377 N TYR A 83 120.319 -0.546 8.873 1.00 0.00 N ATOM 1378 CA TYR A 83 121.118 -1.757 9.197 1.00 0.00 C ATOM 1379 C TYR A 83 122.599 -1.543 8.866 1.00 0.00 C ATOM 1380 O TYR A 83 123.472 -2.096 9.505 1.00 0.00 O ATOM 1381 CB TYR A 83 120.525 -2.845 8.303 1.00 0.00 C ATOM 1382 CG TYR A 83 121.276 -4.131 8.517 1.00 0.00 C ATOM 1383 CD1 TYR A 83 122.541 -4.299 7.952 1.00 0.00 C ATOM 1384 CD2 TYR A 83 120.704 -5.153 9.280 1.00 0.00 C ATOM 1385 CE1 TYR A 83 123.242 -5.494 8.149 1.00 0.00 C ATOM 1386 CE2 TYR A 83 121.402 -6.349 9.479 1.00 0.00 C ATOM 1387 CZ TYR A 83 122.672 -6.521 8.913 1.00 0.00 C ATOM 1388 OH TYR A 83 123.362 -7.698 9.109 1.00 0.00 O ATOM 0 H TYR A 83 119.516 -0.712 8.266 1.00 0.00 H new ATOM 0 HA TYR A 83 121.076 -2.009 10.257 1.00 0.00 H new ATOM 0 HB2 TYR A 83 119.469 -2.985 8.533 1.00 0.00 H new ATOM 0 HB3 TYR A 83 120.586 -2.545 7.257 1.00 0.00 H new ATOM 0 HD1 TYR A 83 122.979 -3.507 7.363 1.00 0.00 H new ATOM 0 HD2 TYR A 83 119.725 -5.020 9.715 1.00 0.00 H new ATOM 0 HE1 TYR A 83 124.221 -5.625 7.713 1.00 0.00 H new ATOM 0 HE2 TYR A 83 120.962 -7.140 10.069 1.00 0.00 H new ATOM 0 HH TYR A 83 123.371 -7.917 10.064 1.00 0.00 H new ATOM 1398 N LEU A 84 122.888 -0.755 7.868 1.00 0.00 N ATOM 1399 CA LEU A 84 124.312 -0.521 7.493 1.00 0.00 C ATOM 1400 C LEU A 84 124.968 0.473 8.457 1.00 0.00 C ATOM 1401 O LEU A 84 126.156 0.419 8.704 1.00 0.00 O ATOM 1402 CB LEU A 84 124.254 0.051 6.077 1.00 0.00 C ATOM 1403 CG LEU A 84 123.532 -0.943 5.164 1.00 0.00 C ATOM 1404 CD1 LEU A 84 123.317 -0.317 3.785 1.00 0.00 C ATOM 1405 CD2 LEU A 84 124.379 -2.209 5.025 1.00 0.00 C ATOM 0 H LEU A 84 122.201 -0.263 7.296 1.00 0.00 H new ATOM 0 HA LEU A 84 124.907 -1.433 7.541 1.00 0.00 H new ATOM 0 HB2 LEU A 84 123.731 1.008 6.079 1.00 0.00 H new ATOM 0 HB3 LEU A 84 125.261 0.239 5.706 1.00 0.00 H new ATOM 0 HG LEU A 84 122.564 -1.196 5.597 1.00 0.00 H new ATOM 0 HD11 LEU A 84 122.803 -1.028 3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 84 122.713 0.585 3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 84 124.282 -0.061 3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 84 123.868 -2.919 4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 84 125.347 -1.954 4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 84 124.527 -2.657 6.007 1.00 0.00 H new ATOM 1417 N ILE A 85 124.207 1.380 9.004 1.00 0.00 N ATOM 1418 CA ILE A 85 124.797 2.370 9.950 1.00 0.00 C ATOM 1419 C ILE A 85 125.327 1.652 11.196 1.00 0.00 C ATOM 1420 O ILE A 85 126.032 2.226 12.002 1.00 0.00 O ATOM 1421 CB ILE A 85 123.646 3.312 10.311 1.00 0.00 C ATOM 1422 CG1 ILE A 85 123.459 4.334 9.189 1.00 0.00 C ATOM 1423 CG2 ILE A 85 123.965 4.047 11.614 1.00 0.00 C ATOM 1424 CD1 ILE A 85 122.130 5.068 9.382 1.00 0.00 C ATOM 0 H ILE A 85 123.205 1.479 8.838 1.00 0.00 H new ATOM 0 HA ILE A 85 125.637 2.912 9.516 1.00 0.00 H new ATOM 0 HB ILE A 85 122.733 2.731 10.439 1.00 0.00 H new ATOM 0 HG12 ILE A 85 124.284 5.047 9.191 1.00 0.00 H new ATOM 0 HG13 ILE A 85 123.473 3.833 8.221 1.00 0.00 H new ATOM 0 HG21 ILE A 85 123.142 4.716 11.865 1.00 0.00 H new ATOM 0 HG22 ILE A 85 124.102 3.322 12.417 1.00 0.00 H new ATOM 0 HG23 ILE A 85 124.879 4.627 11.490 1.00 0.00 H new ATOM 0 HD11 ILE A 85 121.997 5.796 8.582 1.00 0.00 H new ATOM 0 HD12 ILE A 85 121.311 4.349 9.358 1.00 0.00 H new ATOM 0 HD13 ILE A 85 122.134 5.582 10.343 1.00 0.00 H new ATOM 1436 N LYS A 86 124.993 0.400 11.358 1.00 0.00 N ATOM 1437 CA LYS A 86 125.477 -0.352 12.551 1.00 0.00 C ATOM 1438 C LYS A 86 126.557 -1.358 12.139 1.00 0.00 C ATOM 1439 O LYS A 86 127.725 -1.177 12.421 1.00 0.00 O ATOM 1440 CB LYS A 86 124.243 -1.075 13.091 1.00 0.00 C ATOM 1441 CG LYS A 86 123.351 -0.076 13.831 1.00 0.00 C ATOM 1442 CD LYS A 86 122.090 -0.784 14.328 1.00 0.00 C ATOM 1443 CE LYS A 86 120.983 0.247 14.561 1.00 0.00 C ATOM 1444 NZ LYS A 86 119.796 -0.293 13.840 1.00 0.00 N ATOM 0 H LYS A 86 124.407 -0.134 10.717 1.00 0.00 H new ATOM 0 HA LYS A 86 125.924 0.302 13.300 1.00 0.00 H new ATOM 0 HB2 LYS A 86 123.690 -1.535 12.272 1.00 0.00 H new ATOM 0 HB3 LYS A 86 124.544 -1.878 13.764 1.00 0.00 H new ATOM 0 HG2 LYS A 86 123.893 0.357 14.672 1.00 0.00 H new ATOM 0 HG3 LYS A 86 123.081 0.746 13.168 1.00 0.00 H new ATOM 0 HD2 LYS A 86 121.764 -1.524 13.597 1.00 0.00 H new ATOM 0 HD3 LYS A 86 122.302 -1.321 15.253 1.00 0.00 H new ATOM 0 HE2 LYS A 86 120.776 0.371 15.624 1.00 0.00 H new ATOM 0 HE3 LYS A 86 121.268 1.226 14.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 118.994 0.360 13.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 120.020 -0.394 12.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 119.544 -1.222 14.233 1.00 0.00 H new ATOM 1458 N THR A 87 126.179 -2.416 11.476 1.00 0.00 N ATOM 1459 CA THR A 87 127.189 -3.428 11.050 1.00 0.00 C ATOM 1460 C THR A 87 127.750 -3.067 9.671 1.00 0.00 C ATOM 1461 O THR A 87 128.575 -3.771 9.121 1.00 0.00 O ATOM 1462 CB THR A 87 126.426 -4.753 10.993 1.00 0.00 C ATOM 1463 OG1 THR A 87 127.336 -5.809 10.715 1.00 0.00 O ATOM 1464 CG2 THR A 87 125.364 -4.689 9.895 1.00 0.00 C ATOM 0 H THR A 87 125.216 -2.624 11.211 1.00 0.00 H new ATOM 0 HA THR A 87 128.037 -3.478 11.733 1.00 0.00 H new ATOM 0 HB THR A 87 125.940 -4.933 11.952 1.00 0.00 H new ATOM 0 HG1 THR A 87 127.976 -5.518 10.033 1.00 0.00 H new ATOM 0 HG21 THR A 87 124.822 -5.634 9.857 1.00 0.00 H new ATOM 0 HG22 THR A 87 124.666 -3.880 10.110 1.00 0.00 H new ATOM 0 HG23 THR A 87 125.845 -4.508 8.934 1.00 0.00 H new ATOM 1472 N GLY A 88 127.310 -1.974 9.110 1.00 0.00 N ATOM 1473 CA GLY A 88 127.820 -1.564 7.770 1.00 0.00 C ATOM 1474 C GLY A 88 129.031 -0.647 7.950 1.00 0.00 C ATOM 1475 O GLY A 88 129.311 0.197 7.123 1.00 0.00 O ATOM 0 H GLY A 88 126.619 -1.347 9.522 1.00 0.00 H new ATOM 0 HA2 GLY A 88 128.098 -2.443 7.189 1.00 0.00 H new ATOM 0 HA3 GLY A 88 127.038 -1.048 7.213 1.00 0.00 H new ATOM 1479 N SER A 89 129.746 -0.809 9.030 1.00 0.00 N ATOM 1480 CA SER A 89 130.946 0.046 9.291 1.00 0.00 C ATOM 1481 C SER A 89 130.509 1.447 9.732 1.00 0.00 C ATOM 1482 O SER A 89 129.469 1.937 9.340 1.00 0.00 O ATOM 1483 CB SER A 89 131.711 0.107 7.968 1.00 0.00 C ATOM 1484 OG SER A 89 133.105 0.188 8.234 1.00 0.00 O ATOM 0 H SER A 89 129.550 -1.503 9.751 1.00 0.00 H new ATOM 0 HA SER A 89 131.569 -0.360 10.088 1.00 0.00 H new ATOM 0 HB2 SER A 89 131.494 -0.777 7.368 1.00 0.00 H new ATOM 0 HB3 SER A 89 131.389 0.972 7.388 1.00 0.00 H new ATOM 0 HG SER A 89 133.492 -0.713 8.231 1.00 0.00 H new ATOM 1490 N GLU A 90 131.298 2.090 10.550 1.00 0.00 N ATOM 1491 CA GLU A 90 130.933 3.457 11.026 1.00 0.00 C ATOM 1492 C GLU A 90 130.863 4.436 9.852 1.00 0.00 C ATOM 1493 O GLU A 90 130.402 5.552 9.990 1.00 0.00 O ATOM 1494 CB GLU A 90 132.058 3.850 11.981 1.00 0.00 C ATOM 1495 CG GLU A 90 131.722 3.367 13.394 1.00 0.00 C ATOM 1496 CD GLU A 90 132.795 3.855 14.369 1.00 0.00 C ATOM 1497 OE1 GLU A 90 133.934 3.980 13.952 1.00 0.00 O ATOM 1498 OE2 GLU A 90 132.458 4.094 15.517 1.00 0.00 O ATOM 0 H GLU A 90 132.181 1.728 10.910 1.00 0.00 H new ATOM 0 HA GLU A 90 129.955 3.476 11.508 1.00 0.00 H new ATOM 0 HB2 GLU A 90 133.000 3.412 11.650 1.00 0.00 H new ATOM 0 HB3 GLU A 90 132.191 4.932 11.977 1.00 0.00 H new ATOM 0 HG2 GLU A 90 130.744 3.743 13.695 1.00 0.00 H new ATOM 0 HG3 GLU A 90 131.665 2.279 13.414 1.00 0.00 H new ATOM 1505 N ARG A 91 131.312 4.032 8.697 1.00 0.00 N ATOM 1506 CA ARG A 91 131.264 4.945 7.520 1.00 0.00 C ATOM 1507 C ARG A 91 129.814 5.134 7.075 1.00 0.00 C ATOM 1508 O ARG A 91 129.368 6.236 6.824 1.00 0.00 O ATOM 1509 CB ARG A 91 132.072 4.237 6.431 1.00 0.00 C ATOM 1510 CG ARG A 91 133.494 3.984 6.932 1.00 0.00 C ATOM 1511 CD ARG A 91 134.251 3.128 5.914 1.00 0.00 C ATOM 1512 NE ARG A 91 134.414 4.004 4.722 1.00 0.00 N ATOM 1513 CZ ARG A 91 135.436 4.813 4.641 1.00 0.00 C ATOM 1514 NH1 ARG A 91 136.645 4.329 4.555 1.00 0.00 N ATOM 1515 NH2 ARG A 91 135.249 6.105 4.648 1.00 0.00 N ATOM 0 H ARG A 91 131.710 3.110 8.516 1.00 0.00 H new ATOM 0 HA ARG A 91 131.667 5.933 7.741 1.00 0.00 H new ATOM 0 HB2 ARG A 91 131.596 3.293 6.166 1.00 0.00 H new ATOM 0 HB3 ARG A 91 132.097 4.847 5.528 1.00 0.00 H new ATOM 0 HG2 ARG A 91 134.012 4.931 7.082 1.00 0.00 H new ATOM 0 HG3 ARG A 91 133.466 3.479 7.898 1.00 0.00 H new ATOM 0 HD2 ARG A 91 135.217 2.810 6.306 1.00 0.00 H new ATOM 0 HD3 ARG A 91 133.695 2.224 5.667 1.00 0.00 H new ATOM 0 HE ARG A 91 133.727 3.973 3.968 1.00 0.00 H new ATOM 0 HH11 ARG A 91 136.791 3.320 4.551 1.00 0.00 H new ATOM 0 HH12 ARG A 91 137.444 4.960 4.492 1.00 0.00 H new ATOM 0 HH21 ARG A 91 134.304 6.483 4.717 1.00 0.00 H new ATOM 0 HH22 ARG A 91 136.048 6.736 4.585 1.00 0.00 H new ATOM 1529 N VAL A 92 129.075 4.064 6.986 1.00 0.00 N ATOM 1530 CA VAL A 92 127.652 4.175 6.567 1.00 0.00 C ATOM 1531 C VAL A 92 126.928 5.205 7.437 1.00 0.00 C ATOM 1532 O VAL A 92 126.013 5.872 6.997 1.00 0.00 O ATOM 1533 CB VAL A 92 127.073 2.779 6.785 1.00 0.00 C ATOM 1534 CG1 VAL A 92 125.576 2.797 6.475 1.00 0.00 C ATOM 1535 CG2 VAL A 92 127.776 1.787 5.854 1.00 0.00 C ATOM 0 H VAL A 92 129.396 3.117 7.186 1.00 0.00 H new ATOM 0 HA VAL A 92 127.543 4.504 5.533 1.00 0.00 H new ATOM 0 HB VAL A 92 127.226 2.477 7.821 1.00 0.00 H new ATOM 0 HG11 VAL A 92 125.160 1.801 6.630 1.00 0.00 H new ATOM 0 HG12 VAL A 92 125.076 3.506 7.135 1.00 0.00 H new ATOM 0 HG13 VAL A 92 125.423 3.097 5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 92 127.364 0.789 6.008 1.00 0.00 H new ATOM 0 HG22 VAL A 92 127.621 2.088 4.818 1.00 0.00 H new ATOM 0 HG23 VAL A 92 128.844 1.777 6.073 1.00 0.00 H new ATOM 1545 N SER A 93 127.338 5.344 8.668 1.00 0.00 N ATOM 1546 CA SER A 93 126.680 6.338 9.564 1.00 0.00 C ATOM 1547 C SER A 93 127.242 7.735 9.293 1.00 0.00 C ATOM 1548 O SER A 93 126.530 8.718 9.322 1.00 0.00 O ATOM 1549 CB SER A 93 127.025 5.884 10.981 1.00 0.00 C ATOM 1550 OG SER A 93 126.283 6.656 11.916 1.00 0.00 O ATOM 0 H SER A 93 128.099 4.813 9.092 1.00 0.00 H new ATOM 0 HA SER A 93 125.603 6.391 9.408 1.00 0.00 H new ATOM 0 HB2 SER A 93 126.795 4.826 11.102 1.00 0.00 H new ATOM 0 HB3 SER A 93 128.093 6.001 11.162 1.00 0.00 H new ATOM 0 HG SER A 93 126.501 6.366 12.826 1.00 0.00 H new ATOM 1556 N GLN A 94 128.516 7.828 9.024 1.00 0.00 N ATOM 1557 CA GLN A 94 129.120 9.161 8.744 1.00 0.00 C ATOM 1558 C GLN A 94 128.389 9.830 7.581 1.00 0.00 C ATOM 1559 O GLN A 94 127.935 10.952 7.682 1.00 0.00 O ATOM 1560 CB GLN A 94 130.575 8.869 8.373 1.00 0.00 C ATOM 1561 CG GLN A 94 131.350 8.462 9.626 1.00 0.00 C ATOM 1562 CD GLN A 94 131.762 9.714 10.403 1.00 0.00 C ATOM 1563 OE1 GLN A 94 132.786 10.306 10.125 1.00 0.00 O ATOM 1564 NE2 GLN A 94 131.003 10.145 11.373 1.00 0.00 N ATOM 0 H GLN A 94 129.163 7.040 8.986 1.00 0.00 H new ATOM 0 HA GLN A 94 129.050 9.837 9.596 1.00 0.00 H new ATOM 0 HB2 GLN A 94 130.619 8.072 7.631 1.00 0.00 H new ATOM 0 HB3 GLN A 94 131.030 9.751 7.922 1.00 0.00 H new ATOM 0 HG2 GLN A 94 130.734 7.818 10.254 1.00 0.00 H new ATOM 0 HG3 GLN A 94 132.233 7.886 9.349 1.00 0.00 H new ATOM 0 HE21 GLN A 94 130.143 9.649 11.607 1.00 0.00 H new ATOM 0 HE22 GLN A 94 131.269 10.978 11.897 1.00 0.00 H new ATOM 1573 N GLN A 95 128.264 9.143 6.483 1.00 0.00 N ATOM 1574 CA GLN A 95 127.553 9.734 5.314 1.00 0.00 C ATOM 1575 C GLN A 95 126.135 10.132 5.724 1.00 0.00 C ATOM 1576 O GLN A 95 125.612 11.140 5.290 1.00 0.00 O ATOM 1577 CB GLN A 95 127.519 8.624 4.263 1.00 0.00 C ATOM 1578 CG GLN A 95 126.647 9.064 3.085 1.00 0.00 C ATOM 1579 CD GLN A 95 127.417 10.068 2.226 1.00 0.00 C ATOM 1580 OE1 GLN A 95 128.238 10.809 2.728 1.00 0.00 O ATOM 1581 NE2 GLN A 95 127.184 10.124 0.943 1.00 0.00 N ATOM 0 H GLN A 95 128.622 8.198 6.342 1.00 0.00 H new ATOM 0 HA GLN A 95 128.044 10.630 4.935 1.00 0.00 H new ATOM 0 HB2 GLN A 95 128.529 8.403 3.919 1.00 0.00 H new ATOM 0 HB3 GLN A 95 127.123 7.707 4.700 1.00 0.00 H new ATOM 0 HG2 GLN A 95 126.364 8.199 2.486 1.00 0.00 H new ATOM 0 HG3 GLN A 95 125.724 9.515 3.450 1.00 0.00 H new ATOM 0 HE21 GLN A 95 126.494 9.501 0.522 1.00 0.00 H new ATOM 0 HE22 GLN A 95 127.692 10.790 0.361 1.00 0.00 H new ATOM 1590 N CYS A 96 125.510 9.352 6.565 1.00 0.00 N ATOM 1591 CA CYS A 96 124.129 9.692 7.010 1.00 0.00 C ATOM 1592 C CYS A 96 124.121 11.083 7.644 1.00 0.00 C ATOM 1593 O CYS A 96 123.213 11.864 7.443 1.00 0.00 O ATOM 1594 CB CYS A 96 123.767 8.626 8.044 1.00 0.00 C ATOM 1595 SG CYS A 96 122.003 8.734 8.430 1.00 0.00 S ATOM 0 H CYS A 96 125.896 8.495 6.962 1.00 0.00 H new ATOM 0 HA CYS A 96 123.417 9.708 6.185 1.00 0.00 H new ATOM 0 HB2 CYS A 96 124.006 7.635 7.659 1.00 0.00 H new ATOM 0 HB3 CYS A 96 124.358 8.767 8.949 1.00 0.00 H new ATOM 0 HG CYS A 96 121.594 9.955 8.252 1.00 0.00 H new ATOM 1601 N LYS A 97 125.134 11.397 8.401 1.00 0.00 N ATOM 1602 CA LYS A 97 125.195 12.741 9.043 1.00 0.00 C ATOM 1603 C LYS A 97 125.486 13.805 7.983 1.00 0.00 C ATOM 1604 O LYS A 97 125.068 14.940 8.094 1.00 0.00 O ATOM 1605 CB LYS A 97 126.345 12.652 10.046 1.00 0.00 C ATOM 1606 CG LYS A 97 125.919 13.290 11.370 1.00 0.00 C ATOM 1607 CD LYS A 97 126.826 12.787 12.494 1.00 0.00 C ATOM 1608 CE LYS A 97 126.361 13.374 13.829 1.00 0.00 C ATOM 1609 NZ LYS A 97 127.028 12.541 14.866 1.00 0.00 N ATOM 0 H LYS A 97 125.922 10.782 8.604 1.00 0.00 H new ATOM 0 HA LYS A 97 124.258 13.016 9.528 1.00 0.00 H new ATOM 0 HB2 LYS A 97 126.623 11.610 10.205 1.00 0.00 H new ATOM 0 HB3 LYS A 97 127.225 13.160 9.652 1.00 0.00 H new ATOM 0 HG2 LYS A 97 125.979 14.376 11.298 1.00 0.00 H new ATOM 0 HG3 LYS A 97 124.880 13.042 11.588 1.00 0.00 H new ATOM 0 HD2 LYS A 97 126.801 11.698 12.535 1.00 0.00 H new ATOM 0 HD3 LYS A 97 127.859 13.075 12.298 1.00 0.00 H new ATOM 0 HE2 LYS A 97 126.646 14.422 13.921 1.00 0.00 H new ATOM 0 HE3 LYS A 97 125.276 13.329 13.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 126.759 12.882 15.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 126.732 11.550 14.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 128.060 12.609 14.755 1.00 0.00 H new ATOM 1623 N GLU A 98 126.198 13.440 6.954 1.00 0.00 N ATOM 1624 CA GLU A 98 126.518 14.418 5.878 1.00 0.00 C ATOM 1625 C GLU A 98 125.360 14.497 4.880 1.00 0.00 C ATOM 1626 O GLU A 98 125.305 15.377 4.044 1.00 0.00 O ATOM 1627 CB GLU A 98 127.774 13.865 5.202 1.00 0.00 C ATOM 1628 CG GLU A 98 128.849 13.602 6.257 1.00 0.00 C ATOM 1629 CD GLU A 98 130.084 12.998 5.588 1.00 0.00 C ATOM 1630 OE1 GLU A 98 130.199 13.119 4.380 1.00 0.00 O ATOM 1631 OE2 GLU A 98 130.896 12.424 6.296 1.00 0.00 O ATOM 0 H GLU A 98 126.574 12.502 6.812 1.00 0.00 H new ATOM 0 HA GLU A 98 126.675 15.425 6.265 1.00 0.00 H new ATOM 0 HB2 GLU A 98 127.538 12.943 4.671 1.00 0.00 H new ATOM 0 HB3 GLU A 98 128.143 14.574 4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 98 129.114 14.531 6.761 1.00 0.00 H new ATOM 0 HG3 GLU A 98 128.467 12.923 7.019 1.00 0.00 H new ATOM 1638 N ASN A 99 124.433 13.581 4.965 1.00 0.00 N ATOM 1639 CA ASN A 99 123.278 13.596 4.028 1.00 0.00 C ATOM 1640 C ASN A 99 121.964 13.520 4.810 1.00 0.00 C ATOM 1641 O ASN A 99 120.987 12.964 4.349 1.00 0.00 O ATOM 1642 CB ASN A 99 123.458 12.352 3.158 1.00 0.00 C ATOM 1643 CG ASN A 99 123.353 12.740 1.681 1.00 0.00 C ATOM 1644 OD1 ASN A 99 122.508 12.238 0.968 1.00 0.00 O ATOM 1645 ND2 ASN A 99 124.181 13.620 1.190 1.00 0.00 N ATOM 0 H ASN A 99 124.428 12.822 5.646 1.00 0.00 H new ATOM 0 HA ASN A 99 123.240 14.508 3.431 1.00 0.00 H new ATOM 0 HB2 ASN A 99 124.427 11.894 3.356 1.00 0.00 H new ATOM 0 HB3 ASN A 99 122.698 11.610 3.405 1.00 0.00 H new ATOM 0 HD21 ASN A 99 124.119 13.886 0.207 1.00 0.00 H new ATOM 0 HD22 ASN A 99 124.891 14.042 1.789 1.00 0.00 H new ATOM 1652 N MET A 100 121.933 14.076 5.991 1.00 0.00 N ATOM 1653 CA MET A 100 120.681 14.035 6.802 1.00 0.00 C ATOM 1654 C MET A 100 119.569 14.811 6.093 1.00 0.00 C ATOM 1655 O MET A 100 118.399 14.618 6.357 1.00 0.00 O ATOM 1656 CB MET A 100 121.046 14.709 8.127 1.00 0.00 C ATOM 1657 CG MET A 100 121.408 16.173 7.873 1.00 0.00 C ATOM 1658 SD MET A 100 120.132 17.242 8.585 1.00 0.00 S ATOM 1659 CE MET A 100 120.756 17.241 10.285 1.00 0.00 C ATOM 0 H MET A 100 122.719 14.556 6.429 1.00 0.00 H new ATOM 0 HA MET A 100 120.315 13.019 6.949 1.00 0.00 H new ATOM 0 HB2 MET A 100 120.209 14.646 8.822 1.00 0.00 H new ATOM 0 HB3 MET A 100 121.885 14.191 8.591 1.00 0.00 H new ATOM 0 HG2 MET A 100 122.377 16.401 8.316 1.00 0.00 H new ATOM 0 HG3 MET A 100 121.496 16.357 6.802 1.00 0.00 H new ATOM 0 HE1 MET A 100 120.106 17.852 10.911 1.00 0.00 H new ATOM 0 HE2 MET A 100 120.772 16.220 10.666 1.00 0.00 H new ATOM 0 HE3 MET A 100 121.766 17.650 10.302 1.00 0.00 H new ATOM 1669 N TYR A 101 119.925 15.687 5.194 1.00 0.00 N ATOM 1670 CA TYR A 101 118.888 16.474 4.468 1.00 0.00 C ATOM 1671 C TYR A 101 118.210 15.605 3.405 1.00 0.00 C ATOM 1672 O TYR A 101 117.117 15.892 2.960 1.00 0.00 O ATOM 1673 CB TYR A 101 119.651 17.626 3.814 1.00 0.00 C ATOM 1674 CG TYR A 101 119.942 18.689 4.846 1.00 0.00 C ATOM 1675 CD1 TYR A 101 118.888 19.337 5.500 1.00 0.00 C ATOM 1676 CD2 TYR A 101 121.266 19.028 5.148 1.00 0.00 C ATOM 1677 CE1 TYR A 101 119.158 20.323 6.457 1.00 0.00 C ATOM 1678 CE2 TYR A 101 121.537 20.014 6.104 1.00 0.00 C ATOM 1679 CZ TYR A 101 120.482 20.662 6.759 1.00 0.00 C ATOM 1680 OH TYR A 101 120.748 21.635 7.701 1.00 0.00 O ATOM 0 H TYR A 101 120.889 15.892 4.931 1.00 0.00 H new ATOM 0 HA TYR A 101 118.101 16.832 5.132 1.00 0.00 H new ATOM 0 HB2 TYR A 101 120.582 17.260 3.381 1.00 0.00 H new ATOM 0 HB3 TYR A 101 119.064 18.048 2.998 1.00 0.00 H new ATOM 0 HD1 TYR A 101 117.866 19.077 5.267 1.00 0.00 H new ATOM 0 HD2 TYR A 101 122.079 18.528 4.643 1.00 0.00 H new ATOM 0 HE1 TYR A 101 118.344 20.822 6.962 1.00 0.00 H new ATOM 0 HE2 TYR A 101 122.559 20.275 6.336 1.00 0.00 H new ATOM 0 HH TYR A 101 121.717 21.747 7.791 1.00 0.00 H new ATOM 1690 N ALA A 102 118.850 14.543 2.993 1.00 0.00 N ATOM 1691 CA ALA A 102 118.240 13.657 1.959 1.00 0.00 C ATOM 1692 C ALA A 102 117.318 12.635 2.621 1.00 0.00 C ATOM 1693 O ALA A 102 116.254 12.328 2.125 1.00 0.00 O ATOM 1694 CB ALA A 102 119.420 12.956 1.289 1.00 0.00 C ATOM 0 H ALA A 102 119.768 14.251 3.328 1.00 0.00 H new ATOM 0 HA ALA A 102 117.637 14.214 1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 102 119.052 12.284 0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 102 120.079 13.700 0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 102 119.973 12.383 2.033 1.00 0.00 H new ATOM 1700 N VAL A 103 117.718 12.112 3.740 1.00 0.00 N ATOM 1701 CA VAL A 103 116.863 11.120 4.444 1.00 0.00 C ATOM 1702 C VAL A 103 115.688 11.843 5.091 1.00 0.00 C ATOM 1703 O VAL A 103 114.561 11.392 5.065 1.00 0.00 O ATOM 1704 CB VAL A 103 117.785 10.515 5.501 1.00 0.00 C ATOM 1705 CG1 VAL A 103 117.907 11.455 6.701 1.00 0.00 C ATOM 1706 CG2 VAL A 103 117.219 9.168 5.948 1.00 0.00 C ATOM 0 H VAL A 103 118.602 12.328 4.200 1.00 0.00 H new ATOM 0 HA VAL A 103 116.446 10.357 3.786 1.00 0.00 H new ATOM 0 HB VAL A 103 118.777 10.372 5.073 1.00 0.00 H new ATOM 0 HG11 VAL A 103 118.567 11.010 7.446 1.00 0.00 H new ATOM 0 HG12 VAL A 103 118.319 12.410 6.375 1.00 0.00 H new ATOM 0 HG13 VAL A 103 116.922 11.616 7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 103 117.873 8.731 6.703 1.00 0.00 H new ATOM 0 HG22 VAL A 103 116.224 9.313 6.370 1.00 0.00 H new ATOM 0 HG23 VAL A 103 117.155 8.498 5.091 1.00 0.00 H new ATOM 1716 N GLN A 104 115.964 12.969 5.675 1.00 0.00 N ATOM 1717 CA GLN A 104 114.892 13.760 6.341 1.00 0.00 C ATOM 1718 C GLN A 104 113.931 14.351 5.303 1.00 0.00 C ATOM 1719 O GLN A 104 112.788 14.637 5.601 1.00 0.00 O ATOM 1720 CB GLN A 104 115.629 14.874 7.085 1.00 0.00 C ATOM 1721 CG GLN A 104 116.331 14.290 8.313 1.00 0.00 C ATOM 1722 CD GLN A 104 115.527 14.629 9.569 1.00 0.00 C ATOM 1723 OE1 GLN A 104 115.839 15.572 10.269 1.00 0.00 O ATOM 1724 NE2 GLN A 104 114.499 13.892 9.889 1.00 0.00 N ATOM 0 H GLN A 104 116.895 13.382 5.722 1.00 0.00 H new ATOM 0 HA GLN A 104 114.288 13.148 7.011 1.00 0.00 H new ATOM 0 HB2 GLN A 104 116.358 15.345 6.426 1.00 0.00 H new ATOM 0 HB3 GLN A 104 114.926 15.650 7.389 1.00 0.00 H new ATOM 0 HG2 GLN A 104 116.427 13.209 8.210 1.00 0.00 H new ATOM 0 HG3 GLN A 104 117.340 14.693 8.394 1.00 0.00 H new ATOM 0 HE21 GLN A 104 114.237 13.100 9.302 1.00 0.00 H new ATOM 0 HE22 GLN A 104 113.958 14.108 10.726 1.00 0.00 H new ATOM 1733 N THR A 105 114.376 14.538 4.088 1.00 0.00 N ATOM 1734 CA THR A 105 113.468 15.113 3.051 1.00 0.00 C ATOM 1735 C THR A 105 112.244 14.210 2.870 1.00 0.00 C ATOM 1736 O THR A 105 111.179 14.658 2.497 1.00 0.00 O ATOM 1737 CB THR A 105 114.299 15.165 1.766 1.00 0.00 C ATOM 1738 OG1 THR A 105 113.687 16.057 0.845 1.00 0.00 O ATOM 1739 CG2 THR A 105 114.386 13.770 1.145 1.00 0.00 C ATOM 0 H THR A 105 115.320 14.320 3.770 1.00 0.00 H new ATOM 0 HA THR A 105 113.099 16.101 3.327 1.00 0.00 H new ATOM 0 HB THR A 105 115.304 15.514 2.002 1.00 0.00 H new ATOM 0 HG1 THR A 105 114.218 16.093 0.022 1.00 0.00 H new ATOM 0 HG21 THR A 105 114.979 13.815 0.231 1.00 0.00 H new ATOM 0 HG22 THR A 105 114.858 13.086 1.851 1.00 0.00 H new ATOM 0 HG23 THR A 105 113.383 13.413 0.910 1.00 0.00 H new ATOM 1747 N LEU A 106 112.392 12.940 3.130 1.00 0.00 N ATOM 1748 CA LEU A 106 111.241 12.007 2.972 1.00 0.00 C ATOM 1749 C LEU A 106 110.085 12.437 3.880 1.00 0.00 C ATOM 1750 O LEU A 106 108.931 12.348 3.514 1.00 0.00 O ATOM 1751 CB LEU A 106 111.780 10.640 3.396 1.00 0.00 C ATOM 1752 CG LEU A 106 112.712 10.103 2.308 1.00 0.00 C ATOM 1753 CD1 LEU A 106 113.313 8.772 2.761 1.00 0.00 C ATOM 1754 CD2 LEU A 106 111.915 9.891 1.020 1.00 0.00 C ATOM 0 H LEU A 106 113.261 12.508 3.445 1.00 0.00 H new ATOM 0 HA LEU A 106 110.855 11.993 1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 106 112.317 10.725 4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 106 110.955 9.946 3.559 1.00 0.00 H new ATOM 0 HG LEU A 106 113.514 10.819 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 106 113.977 8.390 1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 106 113.878 8.922 3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 106 112.513 8.054 2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 106 112.576 9.508 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 106 111.114 9.174 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 106 111.486 10.840 0.697 1.00 0.00 H new ATOM 1766 N LYS A 107 110.388 12.905 5.060 1.00 0.00 N ATOM 1767 CA LYS A 107 109.304 13.343 5.986 1.00 0.00 C ATOM 1768 C LYS A 107 108.290 14.206 5.234 1.00 0.00 C ATOM 1769 O LYS A 107 107.112 14.199 5.530 1.00 0.00 O ATOM 1770 CB LYS A 107 110.011 14.161 7.067 1.00 0.00 C ATOM 1771 CG LYS A 107 108.989 14.624 8.106 1.00 0.00 C ATOM 1772 CD LYS A 107 109.705 15.395 9.218 1.00 0.00 C ATOM 1773 CE LYS A 107 110.048 16.802 8.723 1.00 0.00 C ATOM 1774 NZ LYS A 107 110.298 17.595 9.960 1.00 0.00 N ATOM 0 H LYS A 107 111.336 13.003 5.423 1.00 0.00 H new ATOM 0 HA LYS A 107 108.755 12.502 6.409 1.00 0.00 H new ATOM 0 HB2 LYS A 107 110.785 13.560 7.545 1.00 0.00 H new ATOM 0 HB3 LYS A 107 110.507 15.023 6.620 1.00 0.00 H new ATOM 0 HG2 LYS A 107 108.237 15.258 7.635 1.00 0.00 H new ATOM 0 HG3 LYS A 107 108.465 13.765 8.524 1.00 0.00 H new ATOM 0 HD2 LYS A 107 109.070 15.454 10.102 1.00 0.00 H new ATOM 0 HD3 LYS A 107 110.614 14.870 9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 107 110.926 16.790 8.077 1.00 0.00 H new ATOM 0 HE3 LYS A 107 109.230 17.226 8.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 110.540 18.573 9.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 109.443 17.594 10.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 111.086 17.172 10.490 1.00 0.00 H new ATOM 1987 N VAL A 121 102.611 6.480 5.473 1.00 0.00 N ATOM 1988 CA VAL A 121 103.387 7.050 6.608 1.00 0.00 C ATOM 1989 C VAL A 121 104.652 6.224 6.849 1.00 0.00 C ATOM 1990 O VAL A 121 105.711 6.754 7.113 1.00 0.00 O ATOM 1991 CB VAL A 121 102.444 6.962 7.809 1.00 0.00 C ATOM 1992 CG1 VAL A 121 102.455 5.544 8.387 1.00 0.00 C ATOM 1993 CG2 VAL A 121 102.894 7.954 8.884 1.00 0.00 C ATOM 0 HA VAL A 121 103.712 8.073 6.420 1.00 0.00 H new ATOM 0 HB VAL A 121 101.432 7.205 7.484 1.00 0.00 H new ATOM 0 HG11 VAL A 121 101.780 5.494 9.241 1.00 0.00 H new ATOM 0 HG12 VAL A 121 102.128 4.838 7.624 1.00 0.00 H new ATOM 0 HG13 VAL A 121 103.465 5.290 8.708 1.00 0.00 H new ATOM 0 HG21 VAL A 121 102.222 7.892 9.740 1.00 0.00 H new ATOM 0 HG22 VAL A 121 103.909 7.712 9.200 1.00 0.00 H new ATOM 0 HG23 VAL A 121 102.872 8.965 8.478 1.00 0.00 H new ATOM 2003 N ASN A 122 104.532 4.928 6.767 1.00 0.00 N ATOM 2004 CA ASN A 122 105.709 4.034 6.995 1.00 0.00 C ATOM 2005 C ASN A 122 106.993 4.663 6.441 1.00 0.00 C ATOM 2006 O ASN A 122 108.075 4.418 6.936 1.00 0.00 O ATOM 2007 CB ASN A 122 105.377 2.748 6.236 1.00 0.00 C ATOM 2008 CG ASN A 122 104.697 1.757 7.181 1.00 0.00 C ATOM 2009 OD1 ASN A 122 104.567 2.017 8.361 1.00 0.00 O ATOM 2010 ND2 ASN A 122 104.254 0.624 6.709 1.00 0.00 N ATOM 0 H ASN A 122 103.662 4.443 6.550 1.00 0.00 H new ATOM 0 HA ASN A 122 105.884 3.858 8.056 1.00 0.00 H new ATOM 0 HB2 ASN A 122 104.723 2.970 5.393 1.00 0.00 H new ATOM 0 HB3 ASN A 122 106.287 2.310 5.827 1.00 0.00 H new ATOM 0 HD21 ASN A 122 103.798 -0.044 7.331 1.00 0.00 H new ATOM 0 HD22 ASN A 122 104.363 0.406 5.718 1.00 0.00 H new ATOM 2017 N VAL A 123 106.885 5.470 5.421 1.00 0.00 N ATOM 2018 CA VAL A 123 108.105 6.108 4.844 1.00 0.00 C ATOM 2019 C VAL A 123 108.618 7.216 5.773 1.00 0.00 C ATOM 2020 O VAL A 123 109.703 7.133 6.314 1.00 0.00 O ATOM 2021 CB VAL A 123 107.648 6.692 3.505 1.00 0.00 C ATOM 2022 CG1 VAL A 123 108.640 7.760 3.038 1.00 0.00 C ATOM 2023 CG2 VAL A 123 107.578 5.576 2.461 1.00 0.00 C ATOM 0 H VAL A 123 106.008 5.715 4.962 1.00 0.00 H new ATOM 0 HA VAL A 123 108.924 5.399 4.721 1.00 0.00 H new ATOM 0 HB VAL A 123 106.664 7.144 3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 123 108.309 8.172 2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 123 108.692 8.557 3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 123 109.626 7.312 2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 123 107.253 5.990 1.507 1.00 0.00 H new ATOM 0 HG22 VAL A 123 108.563 5.125 2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 123 106.868 4.816 2.788 1.00 0.00 H new ATOM 2033 N ARG A 124 107.850 8.254 5.953 1.00 0.00 N ATOM 2034 CA ARG A 124 108.293 9.373 6.836 1.00 0.00 C ATOM 2035 C ARG A 124 108.729 8.844 8.206 1.00 0.00 C ATOM 2036 O ARG A 124 109.593 9.404 8.851 1.00 0.00 O ATOM 2037 CB ARG A 124 107.067 10.276 6.975 1.00 0.00 C ATOM 2038 CG ARG A 124 107.274 11.244 8.141 1.00 0.00 C ATOM 2039 CD ARG A 124 106.203 12.337 8.097 1.00 0.00 C ATOM 2040 NE ARG A 124 104.951 11.668 8.548 1.00 0.00 N ATOM 2041 CZ ARG A 124 103.849 12.358 8.666 1.00 0.00 C ATOM 2042 NH1 ARG A 124 103.761 13.296 9.569 1.00 0.00 N ATOM 2043 NH2 ARG A 124 102.837 12.111 7.881 1.00 0.00 N ATOM 0 H ARG A 124 106.932 8.378 5.526 1.00 0.00 H new ATOM 0 HA ARG A 124 109.150 9.904 6.422 1.00 0.00 H new ATOM 0 HB2 ARG A 124 106.905 10.832 6.052 1.00 0.00 H new ATOM 0 HB3 ARG A 124 106.175 9.672 7.144 1.00 0.00 H new ATOM 0 HG2 ARG A 124 107.220 10.706 9.087 1.00 0.00 H new ATOM 0 HG3 ARG A 124 108.267 11.691 8.084 1.00 0.00 H new ATOM 0 HD2 ARG A 124 106.462 13.170 8.750 1.00 0.00 H new ATOM 0 HD3 ARG A 124 106.094 12.742 7.091 1.00 0.00 H new ATOM 0 HE ARG A 124 104.955 10.671 8.765 1.00 0.00 H new ATOM 0 HH11 ARG A 124 104.553 13.490 10.182 1.00 0.00 H new ATOM 0 HH12 ARG A 124 102.900 13.836 9.662 1.00 0.00 H new ATOM 0 HH21 ARG A 124 102.906 11.378 7.175 1.00 0.00 H new ATOM 0 HH22 ARG A 124 101.976 12.650 7.974 1.00 0.00 H new ATOM 2057 N GLU A 125 108.134 7.777 8.659 1.00 0.00 N ATOM 2058 CA GLU A 125 108.513 7.223 9.991 1.00 0.00 C ATOM 2059 C GLU A 125 109.845 6.474 9.904 1.00 0.00 C ATOM 2060 O GLU A 125 110.722 6.654 10.725 1.00 0.00 O ATOM 2061 CB GLU A 125 107.381 6.263 10.358 1.00 0.00 C ATOM 2062 CG GLU A 125 106.048 7.013 10.349 1.00 0.00 C ATOM 2063 CD GLU A 125 105.094 6.371 11.357 1.00 0.00 C ATOM 2064 OE1 GLU A 125 105.338 6.507 12.544 1.00 0.00 O ATOM 2065 OE2 GLU A 125 104.135 5.753 10.924 1.00 0.00 O ATOM 0 H GLU A 125 107.403 7.264 8.167 1.00 0.00 H new ATOM 0 HA GLU A 125 108.644 8.007 10.737 1.00 0.00 H new ATOM 0 HB2 GLU A 125 107.349 5.435 9.650 1.00 0.00 H new ATOM 0 HB3 GLU A 125 107.561 5.833 11.343 1.00 0.00 H new ATOM 0 HG2 GLU A 125 106.207 8.062 10.600 1.00 0.00 H new ATOM 0 HG3 GLU A 125 105.611 6.987 9.351 1.00 0.00 H new ATOM 2072 N LYS A 126 110.004 5.631 8.922 1.00 0.00 N ATOM 2073 CA LYS A 126 111.280 4.870 8.792 1.00 0.00 C ATOM 2074 C LYS A 126 112.470 5.834 8.743 1.00 0.00 C ATOM 2075 O LYS A 126 113.442 5.672 9.454 1.00 0.00 O ATOM 2076 CB LYS A 126 111.155 4.106 7.474 1.00 0.00 C ATOM 2077 CG LYS A 126 111.370 2.613 7.727 1.00 0.00 C ATOM 2078 CD LYS A 126 112.809 2.375 8.190 1.00 0.00 C ATOM 2079 CE LYS A 126 112.882 1.064 8.975 1.00 0.00 C ATOM 2080 NZ LYS A 126 113.468 1.439 10.293 1.00 0.00 N ATOM 0 H LYS A 126 109.307 5.436 8.204 1.00 0.00 H new ATOM 0 HA LYS A 126 111.448 4.201 9.636 1.00 0.00 H new ATOM 0 HB2 LYS A 126 110.171 4.273 7.036 1.00 0.00 H new ATOM 0 HB3 LYS A 126 111.889 4.474 6.757 1.00 0.00 H new ATOM 0 HG2 LYS A 126 110.670 2.257 8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 126 111.171 2.047 6.817 1.00 0.00 H new ATOM 0 HD2 LYS A 126 113.477 2.334 7.330 1.00 0.00 H new ATOM 0 HD3 LYS A 126 113.143 3.204 8.814 1.00 0.00 H new ATOM 0 HE2 LYS A 126 111.894 0.619 9.094 1.00 0.00 H new ATOM 0 HE3 LYS A 126 113.502 0.330 8.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 113.108 0.798 11.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 114.504 1.365 10.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 113.201 2.417 10.526 1.00 0.00 H new ATOM 2094 N ALA A 127 112.402 6.831 7.905 1.00 0.00 N ATOM 2095 CA ALA A 127 113.528 7.803 7.803 1.00 0.00 C ATOM 2096 C ALA A 127 113.668 8.608 9.099 1.00 0.00 C ATOM 2097 O ALA A 127 114.759 8.861 9.569 1.00 0.00 O ATOM 2098 CB ALA A 127 113.145 8.722 6.644 1.00 0.00 C ATOM 0 H ALA A 127 111.614 7.015 7.285 1.00 0.00 H new ATOM 0 HA ALA A 127 114.484 7.306 7.640 1.00 0.00 H new ATOM 0 HB1 ALA A 127 113.924 9.471 6.501 1.00 0.00 H new ATOM 0 HB2 ALA A 127 113.036 8.133 5.733 1.00 0.00 H new ATOM 0 HB3 ALA A 127 112.202 9.219 6.870 1.00 0.00 H new ATOM 2104 N LYS A 128 112.572 9.019 9.676 1.00 0.00 N ATOM 2105 CA LYS A 128 112.645 9.815 10.936 1.00 0.00 C ATOM 2106 C LYS A 128 113.343 9.018 12.042 1.00 0.00 C ATOM 2107 O LYS A 128 114.034 9.570 12.876 1.00 0.00 O ATOM 2108 CB LYS A 128 111.189 10.085 11.314 1.00 0.00 C ATOM 2109 CG LYS A 128 111.141 11.060 12.494 1.00 0.00 C ATOM 2110 CD LYS A 128 109.937 11.991 12.340 1.00 0.00 C ATOM 2111 CE LYS A 128 110.364 13.264 11.606 1.00 0.00 C ATOM 2112 NZ LYS A 128 110.740 14.221 12.684 1.00 0.00 N ATOM 0 H LYS A 128 111.629 8.839 9.330 1.00 0.00 H new ATOM 0 HA LYS A 128 113.217 10.734 10.805 1.00 0.00 H new ATOM 0 HB2 LYS A 128 110.652 10.502 10.462 1.00 0.00 H new ATOM 0 HB3 LYS A 128 110.692 9.152 11.579 1.00 0.00 H new ATOM 0 HG2 LYS A 128 111.070 10.509 13.432 1.00 0.00 H new ATOM 0 HG3 LYS A 128 112.061 11.643 12.535 1.00 0.00 H new ATOM 0 HD2 LYS A 128 109.144 11.488 11.786 1.00 0.00 H new ATOM 0 HD3 LYS A 128 109.531 12.243 13.320 1.00 0.00 H new ATOM 0 HE2 LYS A 128 111.204 13.072 10.938 1.00 0.00 H new ATOM 0 HE3 LYS A 128 109.553 13.658 10.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 111.045 15.120 12.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 109.919 14.390 13.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 111.519 13.822 13.246 1.00 0.00 H new ATOM 2126 N GLN A 129 113.160 7.728 12.064 1.00 0.00 N ATOM 2127 CA GLN A 129 113.804 6.899 13.125 1.00 0.00 C ATOM 2128 C GLN A 129 115.289 6.674 12.816 1.00 0.00 C ATOM 2129 O GLN A 129 116.093 6.497 13.707 1.00 0.00 O ATOM 2130 CB GLN A 129 113.046 5.571 13.105 1.00 0.00 C ATOM 2131 CG GLN A 129 113.248 4.848 14.437 1.00 0.00 C ATOM 2132 CD GLN A 129 113.391 3.345 14.186 1.00 0.00 C ATOM 2133 OE1 GLN A 129 112.852 2.824 13.231 1.00 0.00 O ATOM 2134 NE2 GLN A 129 114.099 2.623 15.010 1.00 0.00 N ATOM 0 H GLN A 129 112.592 7.210 11.394 1.00 0.00 H new ATOM 0 HA GLN A 129 113.760 7.384 14.100 1.00 0.00 H new ATOM 0 HB2 GLN A 129 111.984 5.749 12.933 1.00 0.00 H new ATOM 0 HB3 GLN A 129 113.402 4.949 12.284 1.00 0.00 H new ATOM 0 HG2 GLN A 129 114.137 5.230 14.939 1.00 0.00 H new ATOM 0 HG3 GLN A 129 112.402 5.038 15.098 1.00 0.00 H new ATOM 0 HE21 GLN A 129 114.552 3.061 15.812 1.00 0.00 H new ATOM 0 HE22 GLN A 129 114.200 1.620 14.852 1.00 0.00 H new ATOM 2143 N LEU A 130 115.658 6.673 11.564 1.00 0.00 N ATOM 2144 CA LEU A 130 117.094 6.453 11.217 1.00 0.00 C ATOM 2145 C LEU A 130 117.936 7.649 11.662 1.00 0.00 C ATOM 2146 O LEU A 130 118.970 7.499 12.283 1.00 0.00 O ATOM 2147 CB LEU A 130 117.124 6.312 9.696 1.00 0.00 C ATOM 2148 CG LEU A 130 118.474 5.735 9.266 1.00 0.00 C ATOM 2149 CD1 LEU A 130 118.266 4.727 8.135 1.00 0.00 C ATOM 2150 CD2 LEU A 130 119.379 6.868 8.777 1.00 0.00 C ATOM 0 H LEU A 130 115.033 6.814 10.770 1.00 0.00 H new ATOM 0 HA LEU A 130 117.505 5.574 11.713 1.00 0.00 H new ATOM 0 HB2 LEU A 130 116.315 5.661 9.364 1.00 0.00 H new ATOM 0 HB3 LEU A 130 116.965 7.283 9.226 1.00 0.00 H new ATOM 0 HG LEU A 130 118.940 5.235 10.115 1.00 0.00 H new ATOM 0 HD11 LEU A 130 119.229 4.318 7.831 1.00 0.00 H new ATOM 0 HD12 LEU A 130 117.622 3.919 8.482 1.00 0.00 H new ATOM 0 HD13 LEU A 130 117.799 5.225 7.285 1.00 0.00 H new ATOM 0 HD21 LEU A 130 120.341 6.458 8.470 1.00 0.00 H new ATOM 0 HD22 LEU A 130 118.910 7.368 7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 130 119.531 7.586 9.583 1.00 0.00 H new ATOM 2162 N VAL A 131 117.503 8.835 11.348 1.00 0.00 N ATOM 2163 CA VAL A 131 118.276 10.045 11.750 1.00 0.00 C ATOM 2164 C VAL A 131 118.209 10.233 13.268 1.00 0.00 C ATOM 2165 O VAL A 131 119.104 10.788 13.874 1.00 0.00 O ATOM 2166 CB VAL A 131 117.592 11.209 11.035 1.00 0.00 C ATOM 2167 CG1 VAL A 131 118.500 12.439 11.080 1.00 0.00 C ATOM 2168 CG2 VAL A 131 117.325 10.825 9.578 1.00 0.00 C ATOM 0 H VAL A 131 116.645 9.022 10.829 1.00 0.00 H new ATOM 0 HA VAL A 131 119.331 9.969 11.485 1.00 0.00 H new ATOM 0 HB VAL A 131 116.648 11.436 11.530 1.00 0.00 H new ATOM 0 HG11 VAL A 131 118.013 13.270 10.570 1.00 0.00 H new ATOM 0 HG12 VAL A 131 118.691 12.712 12.118 1.00 0.00 H new ATOM 0 HG13 VAL A 131 119.444 12.213 10.584 1.00 0.00 H new ATOM 0 HG21 VAL A 131 116.837 11.655 9.067 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.269 10.598 9.083 1.00 0.00 H new ATOM 0 HG23 VAL A 131 116.679 9.948 9.545 1.00 0.00 H new ATOM 2178 N ALA A 132 117.154 9.777 13.884 1.00 0.00 N ATOM 2179 CA ALA A 132 117.027 9.931 15.361 1.00 0.00 C ATOM 2180 C ALA A 132 118.007 9.000 16.082 1.00 0.00 C ATOM 2181 O ALA A 132 118.705 9.401 16.992 1.00 0.00 O ATOM 2182 CB ALA A 132 115.584 9.535 15.676 1.00 0.00 C ATOM 0 H ALA A 132 116.374 9.304 13.428 1.00 0.00 H new ATOM 0 HA ALA A 132 117.256 10.945 15.690 1.00 0.00 H new ATOM 0 HB1 ALA A 132 115.409 9.622 16.748 1.00 0.00 H new ATOM 0 HB2 ALA A 132 114.901 10.195 15.142 1.00 0.00 H new ATOM 0 HB3 ALA A 132 115.413 8.505 15.362 1.00 0.00 H new ATOM 2188 N LEU A 133 118.063 7.758 15.684 1.00 0.00 N ATOM 2189 CA LEU A 133 118.996 6.802 16.348 1.00 0.00 C ATOM 2190 C LEU A 133 120.441 7.297 16.230 1.00 0.00 C ATOM 2191 O LEU A 133 121.252 7.088 17.110 1.00 0.00 O ATOM 2192 CB LEU A 133 118.817 5.485 15.593 1.00 0.00 C ATOM 2193 CG LEU A 133 118.367 4.393 16.566 1.00 0.00 C ATOM 2194 CD1 LEU A 133 116.871 4.131 16.385 1.00 0.00 C ATOM 2195 CD2 LEU A 133 119.147 3.107 16.284 1.00 0.00 C ATOM 0 H LEU A 133 117.503 7.364 14.928 1.00 0.00 H new ATOM 0 HA LEU A 133 118.786 6.695 17.412 1.00 0.00 H new ATOM 0 HB2 LEU A 133 118.079 5.606 14.800 1.00 0.00 H new ATOM 0 HB3 LEU A 133 119.754 5.197 15.116 1.00 0.00 H new ATOM 0 HG LEU A 133 118.557 4.718 17.589 1.00 0.00 H new ATOM 0 HD11 LEU A 133 116.551 3.353 17.078 1.00 0.00 H new ATOM 0 HD12 LEU A 133 116.314 5.047 16.585 1.00 0.00 H new ATOM 0 HD13 LEU A 133 116.680 3.806 15.362 1.00 0.00 H new ATOM 0 HD21 LEU A 133 118.827 2.328 16.977 1.00 0.00 H new ATOM 0 HD22 LEU A 133 118.957 2.783 15.261 1.00 0.00 H new ATOM 0 HD23 LEU A 133 120.213 3.292 16.414 1.00 0.00 H new ATOM 2207 N LEU A 134 120.771 7.948 15.148 1.00 0.00 N ATOM 2208 CA LEU A 134 122.164 8.452 14.978 1.00 0.00 C ATOM 2209 C LEU A 134 122.411 9.657 15.889 1.00 0.00 C ATOM 2210 O LEU A 134 123.212 9.605 16.801 1.00 0.00 O ATOM 2211 CB LEU A 134 122.261 8.862 13.508 1.00 0.00 C ATOM 2212 CG LEU A 134 123.153 7.870 12.759 1.00 0.00 C ATOM 2213 CD1 LEU A 134 122.293 7.002 11.840 1.00 0.00 C ATOM 2214 CD2 LEU A 134 124.177 8.638 11.920 1.00 0.00 C ATOM 0 H LEU A 134 120.137 8.153 14.375 1.00 0.00 H new ATOM 0 HA LEU A 134 122.908 7.700 15.242 1.00 0.00 H new ATOM 0 HB2 LEU A 134 121.268 8.885 13.060 1.00 0.00 H new ATOM 0 HB3 LEU A 134 122.671 9.869 13.427 1.00 0.00 H new ATOM 0 HG LEU A 134 123.672 7.236 13.478 1.00 0.00 H new ATOM 0 HD11 LEU A 134 122.929 6.296 11.307 1.00 0.00 H new ATOM 0 HD12 LEU A 134 121.562 6.455 12.435 1.00 0.00 H new ATOM 0 HD13 LEU A 134 121.774 7.636 11.122 1.00 0.00 H new ATOM 0 HD21 LEU A 134 124.813 7.932 11.386 1.00 0.00 H new ATOM 0 HD22 LEU A 134 123.657 9.272 11.202 1.00 0.00 H new ATOM 0 HD23 LEU A 134 124.791 9.257 12.573 1.00 0.00 H new