USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 404 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 Single : A 65 TYR OH : rot 165:sc= 0.214 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -85:sc= -0.574! USER MOD Single : A 77 SER OG : rot -4:sc= -0.0253 USER MOD Single : A 78 LYS NZ :NH3+ -123:sc= -0.951 (180deg=-2.95!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -2.08 K(o=-2.1,f=-4!) USER MOD Single : A 83 ASN : amide:sc= -0.216 X(o=-0.22,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -41:sc= 0.996 USER MOD Single : A 91 ASN : amide:sc= -1.53 K(o=-1.5,f=-5.7!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS : no HE2:sc= -2.81 K(o=-2.8,f=-5.2!) USER MOD Single : A 95 TYR OH : rot 142:sc= 0.207 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -113:sc= -0.14 (180deg=-1.71) USER MOD Single : A 102 MET CE :methyl 152:sc= -0.188 (180deg=-1.01) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0.144 K(o=0.14,f=-2.6!) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 385 N LEU A 63 16.658 27.288 20.871 1.00 15.00 N ATOM 386 CA LEU A 63 16.089 26.250 21.727 1.00 15.00 C ATOM 387 C LEU A 63 14.563 26.291 21.689 1.00 15.00 C ATOM 388 O LEU A 63 13.960 27.354 21.839 1.00 15.00 O ATOM 389 CB LEU A 63 16.583 26.458 23.162 1.00 15.00 C ATOM 390 CG LEU A 63 16.306 25.206 24.003 1.00 15.00 C ATOM 391 CD1 LEU A 63 17.328 25.108 25.138 1.00 15.00 C ATOM 392 CD2 LEU A 63 14.898 25.284 24.600 1.00 15.00 C ATOM 0 HA LEU A 63 16.410 25.274 21.363 1.00 15.00 H new ATOM 0 HB2 LEU A 63 17.651 26.674 23.159 1.00 15.00 H new ATOM 0 HB3 LEU A 63 16.085 27.320 23.605 1.00 15.00 H new ATOM 0 HG LEU A 63 16.384 24.326 23.364 1.00 15.00 H new ATOM 0 HD11 LEU A 63 17.127 24.217 25.733 1.00 15.00 H new ATOM 0 HD12 LEU A 63 18.332 25.046 24.719 1.00 15.00 H new ATOM 0 HD13 LEU A 63 17.254 25.992 25.772 1.00 15.00 H new ATOM 0 HD21 LEU A 63 14.706 24.392 25.197 1.00 15.00 H new ATOM 0 HD22 LEU A 63 14.820 26.168 25.233 1.00 15.00 H new ATOM 0 HD23 LEU A 63 14.165 25.347 23.796 1.00 15.00 H new ATOM 404 N PHE A 64 13.945 25.137 21.450 1.00 15.00 N ATOM 405 CA PHE A 64 12.487 25.050 21.419 1.00 15.00 C ATOM 406 C PHE A 64 11.939 24.582 22.765 1.00 15.00 C ATOM 407 O PHE A 64 12.401 23.584 23.316 1.00 15.00 O ATOM 408 CB PHE A 64 12.044 24.072 20.330 1.00 15.00 C ATOM 409 CG PHE A 64 12.359 24.539 18.929 1.00 15.00 C ATOM 410 CD1 PHE A 64 11.460 25.372 18.252 1.00 15.00 C ATOM 411 CD2 PHE A 64 13.544 24.134 18.304 1.00 15.00 C ATOM 412 CE1 PHE A 64 11.747 25.801 16.951 1.00 15.00 C ATOM 413 CE2 PHE A 64 13.832 24.564 17.003 1.00 15.00 C ATOM 414 CZ PHE A 64 12.933 25.396 16.326 1.00 15.00 C ATOM 0 H PHE A 64 14.427 24.255 21.276 1.00 15.00 H new ATOM 0 HA PHE A 64 12.095 26.044 21.205 1.00 15.00 H new ATOM 0 HB2 PHE A 64 12.527 23.110 20.500 1.00 15.00 H new ATOM 0 HB3 PHE A 64 10.970 23.909 20.416 1.00 15.00 H new ATOM 0 HD1 PHE A 64 10.545 25.684 18.734 1.00 15.00 H new ATOM 0 HD2 PHE A 64 14.236 23.490 18.825 1.00 15.00 H new ATOM 0 HE1 PHE A 64 11.054 26.444 16.429 1.00 15.00 H new ATOM 0 HE2 PHE A 64 14.748 24.254 16.522 1.00 15.00 H new ATOM 0 HZ PHE A 64 13.154 25.726 15.322 1.00 15.00 H new ATOM 424 N TYR A 65 10.948 25.301 23.290 1.00 15.00 N ATOM 425 CA TYR A 65 10.292 24.901 24.533 1.00 15.00 C ATOM 426 C TYR A 65 8.813 24.638 24.269 1.00 15.00 C ATOM 427 O TYR A 65 8.179 25.356 23.499 1.00 15.00 O ATOM 428 CB TYR A 65 10.436 26.001 25.586 1.00 15.00 C ATOM 429 CG TYR A 65 10.005 25.567 26.968 1.00 15.00 C ATOM 430 CD1 TYR A 65 10.915 24.910 27.805 1.00 15.00 C ATOM 431 CD2 TYR A 65 8.701 25.819 27.410 1.00 15.00 C ATOM 432 CE1 TYR A 65 10.520 24.505 29.085 1.00 15.00 C ATOM 433 CE2 TYR A 65 8.307 25.412 28.691 1.00 15.00 C ATOM 434 CZ TYR A 65 9.217 24.755 29.529 1.00 15.00 C ATOM 435 OH TYR A 65 8.831 24.352 30.792 1.00 15.00 O ATOM 0 H TYR A 65 10.583 26.159 22.876 1.00 15.00 H new ATOM 0 HA TYR A 65 10.765 23.992 24.905 1.00 15.00 H new ATOM 0 HB2 TYR A 65 11.476 26.325 25.623 1.00 15.00 H new ATOM 0 HB3 TYR A 65 9.844 26.864 25.283 1.00 15.00 H new ATOM 0 HD1 TYR A 65 11.921 24.716 27.463 1.00 15.00 H new ATOM 0 HD2 TYR A 65 8.000 26.327 26.764 1.00 15.00 H new ATOM 0 HE1 TYR A 65 11.222 23.999 29.731 1.00 15.00 H new ATOM 0 HE2 TYR A 65 7.301 25.605 29.033 1.00 15.00 H new ATOM 0 HH TYR A 65 7.996 24.802 31.038 1.00 15.00 H new ATOM 445 N THR A 66 8.265 23.607 24.907 1.00 15.00 N ATOM 446 CA THR A 66 6.872 23.229 24.678 1.00 15.00 C ATOM 447 C THR A 66 5.991 23.651 25.850 1.00 15.00 C ATOM 448 O THR A 66 6.399 23.577 27.009 1.00 15.00 O ATOM 449 CB THR A 66 6.772 21.715 24.482 1.00 15.00 C ATOM 450 OG1 THR A 66 7.675 21.312 23.462 1.00 15.00 O ATOM 451 CG2 THR A 66 5.346 21.342 24.079 1.00 15.00 C ATOM 0 H THR A 66 8.759 23.022 25.581 1.00 15.00 H new ATOM 0 HA THR A 66 6.523 23.740 23.781 1.00 15.00 H new ATOM 0 HB THR A 66 7.026 21.211 25.414 1.00 15.00 H new ATOM 0 HG1 THR A 66 7.614 20.342 23.336 1.00 15.00 H new ATOM 0 HG21 THR A 66 5.278 20.263 23.940 1.00 15.00 H new ATOM 0 HG22 THR A 66 4.654 21.652 24.862 1.00 15.00 H new ATOM 0 HG23 THR A 66 5.088 21.845 23.147 1.00 15.00 H new ATOM 459 N LEU A 67 4.777 24.092 25.532 1.00 15.00 N ATOM 460 CA LEU A 67 3.823 24.509 26.552 1.00 15.00 C ATOM 461 C LEU A 67 3.036 23.314 27.080 1.00 15.00 C ATOM 462 O LEU A 67 2.422 22.576 26.309 1.00 15.00 O ATOM 463 CB LEU A 67 2.852 25.530 25.952 1.00 15.00 C ATOM 464 CG LEU A 67 3.599 26.822 25.616 1.00 15.00 C ATOM 465 CD1 LEU A 67 2.682 27.747 24.813 1.00 15.00 C ATOM 466 CD2 LEU A 67 4.013 27.523 26.913 1.00 15.00 C ATOM 0 H LEU A 67 4.432 24.169 24.575 1.00 15.00 H new ATOM 0 HA LEU A 67 4.373 24.956 27.380 1.00 15.00 H new ATOM 0 HB2 LEU A 67 2.391 25.122 25.053 1.00 15.00 H new ATOM 0 HB3 LEU A 67 2.047 25.738 26.657 1.00 15.00 H new ATOM 0 HG LEU A 67 4.486 26.586 25.028 1.00 15.00 H new ATOM 0 HD11 LEU A 67 3.214 28.668 24.573 1.00 15.00 H new ATOM 0 HD12 LEU A 67 2.382 27.250 23.890 1.00 15.00 H new ATOM 0 HD13 LEU A 67 1.796 27.983 25.403 1.00 15.00 H new ATOM 0 HD21 LEU A 67 4.545 28.444 26.675 1.00 15.00 H new ATOM 0 HD22 LEU A 67 3.125 27.759 27.499 1.00 15.00 H new ATOM 0 HD23 LEU A 67 4.664 26.866 27.490 1.00 15.00 H new ATOM 478 N LYS A 68 3.033 23.155 28.401 1.00 15.00 N ATOM 479 CA LYS A 68 2.315 22.056 29.042 1.00 15.00 C ATOM 480 C LYS A 68 1.273 22.596 30.017 1.00 15.00 C ATOM 481 O LYS A 68 1.481 23.622 30.665 1.00 15.00 O ATOM 482 CB LYS A 68 3.300 21.159 29.793 1.00 15.00 C ATOM 483 CG LYS A 68 4.269 20.517 28.800 1.00 15.00 C ATOM 484 CD LYS A 68 5.186 19.539 29.538 1.00 15.00 C ATOM 485 CE LYS A 68 6.234 18.989 28.570 1.00 15.00 C ATOM 486 NZ LYS A 68 7.058 17.959 29.263 1.00 15.00 N ATOM 0 H LYS A 68 3.520 23.774 29.049 1.00 15.00 H new ATOM 0 HA LYS A 68 1.810 21.476 28.270 1.00 15.00 H new ATOM 0 HB2 LYS A 68 3.852 21.744 30.529 1.00 15.00 H new ATOM 0 HB3 LYS A 68 2.760 20.387 30.340 1.00 15.00 H new ATOM 0 HG2 LYS A 68 3.714 19.994 28.021 1.00 15.00 H new ATOM 0 HG3 LYS A 68 4.863 21.286 28.306 1.00 15.00 H new ATOM 0 HD2 LYS A 68 5.675 20.042 30.372 1.00 15.00 H new ATOM 0 HD3 LYS A 68 4.600 18.722 29.958 1.00 15.00 H new ATOM 0 HE2 LYS A 68 5.746 18.553 27.698 1.00 15.00 H new ATOM 0 HE3 LYS A 68 6.871 19.797 28.209 1.00 15.00 H new ATOM 0 HZ1 LYS A 68 7.771 17.585 28.605 1.00 15.00 H new ATOM 0 HZ2 LYS A 68 7.534 18.389 30.082 1.00 15.00 H new ATOM 0 HZ3 LYS A 68 6.445 17.184 29.587 1.00 15.00 H new ATOM 500 N THR A 69 0.158 21.884 30.145 1.00 15.00 N ATOM 501 CA THR A 69 -0.926 22.324 31.020 1.00 15.00 C ATOM 502 C THR A 69 -0.421 22.580 32.438 1.00 15.00 C ATOM 503 O THR A 69 0.340 21.785 32.991 1.00 15.00 O ATOM 504 CB THR A 69 -2.032 21.267 31.051 1.00 15.00 C ATOM 505 OG1 THR A 69 -3.063 21.690 31.932 1.00 15.00 O ATOM 506 CG2 THR A 69 -1.459 19.934 31.538 1.00 15.00 C ATOM 0 H THR A 69 -0.019 21.005 29.658 1.00 15.00 H new ATOM 0 HA THR A 69 -1.323 23.258 30.623 1.00 15.00 H new ATOM 0 HB THR A 69 -2.438 21.139 30.048 1.00 15.00 H new ATOM 0 HG1 THR A 69 -3.773 21.015 31.952 1.00 15.00 H new ATOM 0 HG21 THR A 69 -2.250 19.184 31.559 1.00 15.00 H new ATOM 0 HG22 THR A 69 -0.668 19.609 30.862 1.00 15.00 H new ATOM 0 HG23 THR A 69 -1.050 20.058 32.541 1.00 15.00 H new ATOM 514 N GLY A 70 -0.851 23.697 33.018 1.00 15.00 N ATOM 515 CA GLY A 70 -0.447 24.056 34.375 1.00 15.00 C ATOM 516 C GLY A 70 0.537 25.228 34.399 1.00 15.00 C ATOM 517 O GLY A 70 0.603 25.959 35.387 1.00 15.00 O ATOM 0 H GLY A 70 -1.477 24.367 32.572 1.00 15.00 H new ATOM 0 HA2 GLY A 70 -1.331 24.315 34.958 1.00 15.00 H new ATOM 0 HA3 GLY A 70 0.010 23.191 34.856 1.00 15.00 H new ATOM 521 N GLU A 71 1.301 25.412 33.322 1.00 15.00 N ATOM 522 CA GLU A 71 2.272 26.502 33.262 1.00 15.00 C ATOM 523 C GLU A 71 1.804 27.577 32.285 1.00 15.00 C ATOM 524 O GLU A 71 1.186 27.274 31.265 1.00 15.00 O ATOM 525 CB GLU A 71 3.633 25.963 32.817 1.00 15.00 C ATOM 526 CG GLU A 71 4.695 27.052 33.001 1.00 15.00 C ATOM 527 CD GLU A 71 6.069 26.605 32.493 1.00 15.00 C ATOM 528 OE1 GLU A 71 6.180 25.523 31.933 1.00 15.00 O ATOM 529 OE2 GLU A 71 7.009 27.359 32.687 1.00 15.00 O ATOM 0 H GLU A 71 1.267 24.826 32.488 1.00 15.00 H new ATOM 0 HA GLU A 71 2.363 26.942 34.255 1.00 15.00 H new ATOM 0 HB2 GLU A 71 3.896 25.081 33.401 1.00 15.00 H new ATOM 0 HB3 GLU A 71 3.590 25.653 31.773 1.00 15.00 H new ATOM 0 HG2 GLU A 71 4.387 27.952 32.469 1.00 15.00 H new ATOM 0 HG3 GLU A 71 4.766 27.314 34.057 1.00 15.00 H new ATOM 536 N THR A 72 2.104 28.835 32.603 1.00 15.00 N ATOM 537 CA THR A 72 1.687 29.955 31.761 1.00 15.00 C ATOM 538 C THR A 72 2.898 30.650 31.146 1.00 15.00 C ATOM 539 O THR A 72 4.025 30.503 31.620 1.00 15.00 O ATOM 540 CB THR A 72 0.891 30.968 32.591 1.00 15.00 C ATOM 541 OG1 THR A 72 1.731 31.516 33.597 1.00 15.00 O ATOM 542 CG2 THR A 72 -0.311 30.280 33.242 1.00 15.00 C ATOM 0 H THR A 72 2.632 29.104 33.433 1.00 15.00 H new ATOM 0 HA THR A 72 1.060 29.562 30.960 1.00 15.00 H new ATOM 0 HB THR A 72 0.533 31.765 31.940 1.00 15.00 H new ATOM 0 HG1 THR A 72 1.734 30.925 34.378 1.00 15.00 H new ATOM 0 HG21 THR A 72 -0.872 31.007 33.830 1.00 15.00 H new ATOM 0 HG22 THR A 72 -0.956 29.865 32.468 1.00 15.00 H new ATOM 0 HG23 THR A 72 0.037 29.478 33.893 1.00 15.00 H new ATOM 550 N VAL A 73 2.657 31.427 30.095 1.00 15.00 N ATOM 551 CA VAL A 73 3.739 32.129 29.412 1.00 15.00 C ATOM 552 C VAL A 73 4.476 33.036 30.396 1.00 15.00 C ATOM 553 O VAL A 73 5.707 33.083 30.411 1.00 15.00 O ATOM 554 CB VAL A 73 3.174 32.957 28.249 1.00 15.00 C ATOM 555 CG1 VAL A 73 4.308 33.656 27.495 1.00 15.00 C ATOM 556 CG2 VAL A 73 2.424 32.037 27.282 1.00 15.00 C ATOM 0 H VAL A 73 1.730 31.586 29.700 1.00 15.00 H new ATOM 0 HA VAL A 73 4.442 31.398 29.014 1.00 15.00 H new ATOM 0 HB VAL A 73 2.494 33.708 28.652 1.00 15.00 H new ATOM 0 HG11 VAL A 73 3.893 34.239 26.673 1.00 15.00 H new ATOM 0 HG12 VAL A 73 4.844 34.318 28.176 1.00 15.00 H new ATOM 0 HG13 VAL A 73 4.996 32.909 27.099 1.00 15.00 H new ATOM 0 HG21 VAL A 73 2.023 32.626 26.457 1.00 15.00 H new ATOM 0 HG22 VAL A 73 3.108 31.284 26.892 1.00 15.00 H new ATOM 0 HG23 VAL A 73 1.606 31.546 27.808 1.00 15.00 H new ATOM 566 N ALA A 74 3.720 33.737 31.235 1.00 15.00 N ATOM 567 CA ALA A 74 4.322 34.635 32.213 1.00 15.00 C ATOM 568 C ALA A 74 5.238 33.862 33.162 1.00 15.00 C ATOM 569 O ALA A 74 6.310 34.345 33.527 1.00 15.00 O ATOM 570 CB ALA A 74 3.231 35.356 33.008 1.00 15.00 C ATOM 0 H ALA A 74 2.701 33.702 31.258 1.00 15.00 H new ATOM 0 HA ALA A 74 4.920 35.374 31.680 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.692 36.024 33.735 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.608 35.936 32.327 1.00 15.00 H new ATOM 0 HB3 ALA A 74 2.615 34.623 33.528 1.00 15.00 H new ATOM 576 N ASP A 75 4.828 32.655 33.542 1.00 15.00 N ATOM 577 CA ASP A 75 5.630 31.844 34.453 1.00 15.00 C ATOM 578 C ASP A 75 7.000 31.562 33.844 1.00 15.00 C ATOM 579 O ASP A 75 8.028 31.688 34.510 1.00 15.00 O ATOM 580 CB ASP A 75 4.915 30.521 34.746 1.00 15.00 C ATOM 581 CG ASP A 75 3.607 30.770 35.493 1.00 15.00 C ATOM 582 OD1 ASP A 75 3.532 31.745 36.224 1.00 15.00 O ATOM 583 OD2 ASP A 75 2.694 29.978 35.321 1.00 15.00 O ATOM 0 H ASP A 75 3.956 32.221 33.238 1.00 15.00 H new ATOM 0 HA ASP A 75 5.762 32.395 35.384 1.00 15.00 H new ATOM 0 HB2 ASP A 75 4.712 29.997 33.812 1.00 15.00 H new ATOM 0 HB3 ASP A 75 5.562 29.876 35.340 1.00 15.00 H new ATOM 588 N LEU A 76 7.010 31.206 32.564 1.00 15.00 N ATOM 589 CA LEU A 76 8.266 30.944 31.868 1.00 15.00 C ATOM 590 C LEU A 76 9.166 32.172 31.918 1.00 15.00 C ATOM 591 O LEU A 76 10.359 32.074 32.199 1.00 15.00 O ATOM 592 CB LEU A 76 7.991 30.580 30.407 1.00 15.00 C ATOM 593 CG LEU A 76 7.376 29.182 30.327 1.00 15.00 C ATOM 594 CD1 LEU A 76 6.637 29.024 28.997 1.00 15.00 C ATOM 595 CD2 LEU A 76 8.491 28.137 30.411 1.00 15.00 C ATOM 0 H LEU A 76 6.173 31.093 31.992 1.00 15.00 H new ATOM 0 HA LEU A 76 8.766 30.112 32.363 1.00 15.00 H new ATOM 0 HB2 LEU A 76 7.315 31.310 29.962 1.00 15.00 H new ATOM 0 HB3 LEU A 76 8.918 30.613 29.834 1.00 15.00 H new ATOM 0 HG LEU A 76 6.676 29.044 31.151 1.00 15.00 H new ATOM 0 HD11 LEU A 76 6.199 28.028 28.940 1.00 15.00 H new ATOM 0 HD12 LEU A 76 5.847 29.772 28.928 1.00 15.00 H new ATOM 0 HD13 LEU A 76 7.338 29.160 28.173 1.00 15.00 H new ATOM 0 HD21 LEU A 76 8.058 27.138 30.354 1.00 15.00 H new ATOM 0 HD22 LEU A 76 9.186 28.279 29.583 1.00 15.00 H new ATOM 0 HD23 LEU A 76 9.024 28.249 31.355 1.00 15.00 H new ATOM 607 N SER A 77 8.575 33.333 31.668 1.00 15.00 N ATOM 608 CA SER A 77 9.333 34.577 31.634 1.00 15.00 C ATOM 609 C SER A 77 10.022 34.843 32.967 1.00 15.00 C ATOM 610 O SER A 77 11.169 35.285 33.001 1.00 15.00 O ATOM 611 CB SER A 77 8.394 35.738 31.307 1.00 15.00 C ATOM 612 OG SER A 77 9.164 36.908 31.062 1.00 15.00 O ATOM 0 H SER A 77 7.577 33.439 31.486 1.00 15.00 H new ATOM 0 HA SER A 77 10.100 34.487 30.865 1.00 15.00 H new ATOM 0 HB2 SER A 77 7.789 35.497 30.433 1.00 15.00 H new ATOM 0 HB3 SER A 77 7.705 35.908 32.134 1.00 15.00 H new ATOM 0 HG SER A 77 10.112 36.714 31.216 1.00 15.00 H new ATOM 618 N LYS A 78 9.310 34.586 34.058 1.00 15.00 N ATOM 619 CA LYS A 78 9.846 34.841 35.390 1.00 15.00 C ATOM 620 C LYS A 78 11.065 33.966 35.668 1.00 15.00 C ATOM 621 O LYS A 78 12.093 34.450 36.141 1.00 15.00 O ATOM 622 CB LYS A 78 8.769 34.572 36.444 1.00 15.00 C ATOM 623 CG LYS A 78 9.283 34.981 37.827 1.00 15.00 C ATOM 624 CD LYS A 78 8.168 34.812 38.863 1.00 15.00 C ATOM 625 CE LYS A 78 7.854 33.325 39.057 1.00 15.00 C ATOM 626 NZ LYS A 78 6.816 32.902 38.074 1.00 15.00 N ATOM 0 H LYS A 78 8.365 34.203 34.047 1.00 15.00 H new ATOM 0 HA LYS A 78 10.154 35.886 35.438 1.00 15.00 H new ATOM 0 HB2 LYS A 78 7.864 35.130 36.203 1.00 15.00 H new ATOM 0 HB3 LYS A 78 8.502 33.515 36.443 1.00 15.00 H new ATOM 0 HG2 LYS A 78 10.143 34.370 38.101 1.00 15.00 H new ATOM 0 HG3 LYS A 78 9.621 36.017 37.808 1.00 15.00 H new ATOM 0 HD2 LYS A 78 8.472 35.255 39.812 1.00 15.00 H new ATOM 0 HD3 LYS A 78 7.273 35.341 38.536 1.00 15.00 H new ATOM 0 HE2 LYS A 78 8.759 32.731 38.924 1.00 15.00 H new ATOM 0 HE3 LYS A 78 7.502 33.147 40.073 1.00 15.00 H new ATOM 0 HZ1 LYS A 78 6.000 32.502 38.581 1.00 15.00 H new ATOM 0 HZ2 LYS A 78 6.509 33.725 37.518 1.00 15.00 H new ATOM 0 HZ3 LYS A 78 7.214 32.183 37.437 1.00 15.00 H new ATOM 640 N SER A 79 10.942 32.676 35.371 1.00 15.00 N ATOM 641 CA SER A 79 12.031 31.739 35.628 1.00 15.00 C ATOM 642 C SER A 79 13.281 32.136 34.850 1.00 15.00 C ATOM 643 O SER A 79 14.395 32.086 35.373 1.00 15.00 O ATOM 644 CB SER A 79 11.606 30.326 35.227 1.00 15.00 C ATOM 645 OG SER A 79 12.598 29.402 35.653 1.00 15.00 O ATOM 0 H SER A 79 10.109 32.259 34.957 1.00 15.00 H new ATOM 0 HA SER A 79 12.261 31.763 36.693 1.00 15.00 H new ATOM 0 HB2 SER A 79 10.645 30.080 35.679 1.00 15.00 H new ATOM 0 HB3 SER A 79 11.475 30.265 34.147 1.00 15.00 H new ATOM 0 HG SER A 79 12.330 28.494 35.400 1.00 15.00 H new ATOM 651 N GLN A 80 13.085 32.529 33.597 1.00 15.00 N ATOM 652 CA GLN A 80 14.196 32.951 32.745 1.00 15.00 C ATOM 653 C GLN A 80 14.715 34.354 33.087 1.00 15.00 C ATOM 654 O GLN A 80 15.799 34.731 32.643 1.00 15.00 O ATOM 655 CB GLN A 80 13.750 32.924 31.282 1.00 15.00 C ATOM 656 CG GLN A 80 13.412 31.487 30.880 1.00 15.00 C ATOM 657 CD GLN A 80 12.874 31.439 29.452 1.00 15.00 C ATOM 658 OE1 GLN A 80 12.460 32.460 28.900 1.00 15.00 O ATOM 659 NE2 GLN A 80 12.854 30.300 28.815 1.00 15.00 N ATOM 0 H GLN A 80 12.170 32.565 33.147 1.00 15.00 H new ATOM 0 HA GLN A 80 15.015 32.253 32.918 1.00 15.00 H new ATOM 0 HB2 GLN A 80 12.880 33.566 31.144 1.00 15.00 H new ATOM 0 HB3 GLN A 80 14.541 33.316 30.642 1.00 15.00 H new ATOM 0 HG2 GLN A 80 14.302 30.863 30.960 1.00 15.00 H new ATOM 0 HG3 GLN A 80 12.672 31.076 31.567 1.00 15.00 H new ATOM 0 HE21 GLN A 80 13.197 29.454 29.271 1.00 15.00 H new ATOM 0 HE22 GLN A 80 12.496 30.255 27.861 1.00 15.00 H new ATOM 668 N ASP A 81 13.953 35.130 33.859 1.00 15.00 N ATOM 669 CA ASP A 81 14.345 36.497 34.186 1.00 15.00 C ATOM 670 C ASP A 81 14.452 37.336 32.913 1.00 15.00 C ATOM 671 O ASP A 81 15.386 38.121 32.738 1.00 15.00 O ATOM 672 CB ASP A 81 15.680 36.497 34.936 1.00 15.00 C ATOM 673 CG ASP A 81 15.957 37.884 35.505 1.00 15.00 C ATOM 674 OD1 ASP A 81 15.453 38.174 36.577 1.00 15.00 O ATOM 675 OD2 ASP A 81 16.670 38.635 34.861 1.00 15.00 O ATOM 0 H ASP A 81 13.066 34.835 34.267 1.00 15.00 H new ATOM 0 HA ASP A 81 13.582 36.936 34.829 1.00 15.00 H new ATOM 0 HB2 ASP A 81 15.654 35.763 35.741 1.00 15.00 H new ATOM 0 HB3 ASP A 81 16.485 36.203 34.262 1.00 15.00 H new ATOM 680 N ILE A 82 13.475 37.163 32.027 1.00 15.00 N ATOM 681 CA ILE A 82 13.436 37.902 30.766 1.00 15.00 C ATOM 682 C ILE A 82 12.189 38.783 30.726 1.00 15.00 C ATOM 683 O ILE A 82 11.145 38.417 31.266 1.00 15.00 O ATOM 684 CB ILE A 82 13.424 36.928 29.582 1.00 15.00 C ATOM 685 CG1 ILE A 82 14.648 36.008 29.658 1.00 15.00 C ATOM 686 CG2 ILE A 82 13.468 37.709 28.266 1.00 15.00 C ATOM 687 CD1 ILE A 82 14.546 34.928 28.579 1.00 15.00 C ATOM 0 H ILE A 82 12.697 36.516 32.158 1.00 15.00 H new ATOM 0 HA ILE A 82 14.324 38.530 30.695 1.00 15.00 H new ATOM 0 HB ILE A 82 12.512 36.332 29.623 1.00 15.00 H new ATOM 0 HG12 ILE A 82 15.561 36.588 29.521 1.00 15.00 H new ATOM 0 HG13 ILE A 82 14.708 35.547 30.644 1.00 15.00 H new ATOM 0 HG21 ILE A 82 13.459 37.011 27.428 1.00 15.00 H new ATOM 0 HG22 ILE A 82 12.599 38.364 28.202 1.00 15.00 H new ATOM 0 HG23 ILE A 82 14.377 38.309 28.229 1.00 15.00 H new ATOM 0 HD11 ILE A 82 15.417 34.275 28.634 1.00 15.00 H new ATOM 0 HD12 ILE A 82 13.641 34.341 28.736 1.00 15.00 H new ATOM 0 HD13 ILE A 82 14.507 35.398 27.596 1.00 15.00 H new ATOM 699 N ASN A 83 12.306 39.946 30.093 1.00 15.00 N ATOM 700 CA ASN A 83 11.181 40.870 30.008 1.00 15.00 C ATOM 701 C ASN A 83 10.127 40.352 29.034 1.00 15.00 C ATOM 702 O ASN A 83 10.448 39.882 27.941 1.00 15.00 O ATOM 703 CB ASN A 83 11.670 42.245 29.549 1.00 15.00 C ATOM 704 CG ASN A 83 12.718 42.779 30.520 1.00 15.00 C ATOM 705 OD1 ASN A 83 13.764 43.268 30.098 1.00 15.00 O ATOM 706 ND2 ASN A 83 12.496 42.714 31.805 1.00 15.00 N ATOM 0 H ASN A 83 13.159 40.269 29.636 1.00 15.00 H new ATOM 0 HA ASN A 83 10.731 40.954 30.997 1.00 15.00 H new ATOM 0 HB2 ASN A 83 12.094 42.173 28.547 1.00 15.00 H new ATOM 0 HB3 ASN A 83 10.830 42.938 29.491 1.00 15.00 H new ATOM 0 HD21 ASN A 83 13.191 43.069 32.461 1.00 15.00 H new ATOM 0 HD22 ASN A 83 11.627 42.308 32.153 1.00 15.00 H new ATOM 713 N LEU A 84 8.862 40.452 29.430 1.00 15.00 N ATOM 714 CA LEU A 84 7.770 39.996 28.575 1.00 15.00 C ATOM 715 C LEU A 84 7.811 40.699 27.219 1.00 15.00 C ATOM 716 O LEU A 84 7.537 40.083 26.190 1.00 15.00 O ATOM 717 CB LEU A 84 6.421 40.259 29.252 1.00 15.00 C ATOM 718 CG LEU A 84 6.320 39.447 30.547 1.00 15.00 C ATOM 719 CD1 LEU A 84 5.053 39.850 31.306 1.00 15.00 C ATOM 720 CD2 LEU A 84 6.248 37.955 30.211 1.00 15.00 C ATOM 0 H LEU A 84 8.569 40.840 30.327 1.00 15.00 H new ATOM 0 HA LEU A 84 7.890 38.924 28.416 1.00 15.00 H new ATOM 0 HB2 LEU A 84 6.315 41.322 29.470 1.00 15.00 H new ATOM 0 HB3 LEU A 84 5.608 39.989 28.579 1.00 15.00 H new ATOM 0 HG LEU A 84 7.197 39.643 31.164 1.00 15.00 H new ATOM 0 HD11 LEU A 84 4.981 39.272 32.227 1.00 15.00 H new ATOM 0 HD12 LEU A 84 5.095 40.912 31.546 1.00 15.00 H new ATOM 0 HD13 LEU A 84 4.179 39.653 30.685 1.00 15.00 H new ATOM 0 HD21 LEU A 84 6.176 37.378 31.133 1.00 15.00 H new ATOM 0 HD22 LEU A 84 5.371 37.763 29.593 1.00 15.00 H new ATOM 0 HD23 LEU A 84 7.146 37.661 29.668 1.00 15.00 H new ATOM 732 N SER A 85 8.176 41.978 27.216 1.00 15.00 N ATOM 733 CA SER A 85 8.240 42.735 25.971 1.00 15.00 C ATOM 734 C SER A 85 9.217 42.080 25.001 1.00 15.00 C ATOM 735 O SER A 85 8.925 41.930 23.815 1.00 15.00 O ATOM 736 CB SER A 85 8.683 44.171 26.254 1.00 15.00 C ATOM 737 OG SER A 85 8.558 44.941 25.066 1.00 15.00 O ATOM 0 H SER A 85 8.429 42.506 28.051 1.00 15.00 H new ATOM 0 HA SER A 85 7.248 42.746 25.520 1.00 15.00 H new ATOM 0 HB2 SER A 85 8.073 44.603 27.047 1.00 15.00 H new ATOM 0 HB3 SER A 85 9.716 44.184 26.603 1.00 15.00 H new ATOM 0 HG SER A 85 8.839 45.863 25.243 1.00 15.00 H new ATOM 743 N THR A 86 10.370 41.665 25.516 1.00 15.00 N ATOM 744 CA THR A 86 11.387 41.041 24.675 1.00 15.00 C ATOM 745 C THR A 86 10.859 39.751 24.053 1.00 15.00 C ATOM 746 O THR A 86 11.016 39.511 22.854 1.00 15.00 O ATOM 747 CB THR A 86 12.635 40.736 25.507 1.00 15.00 C ATOM 748 OG1 THR A 86 13.064 41.922 26.164 1.00 15.00 O ATOM 749 CG2 THR A 86 13.751 40.226 24.593 1.00 15.00 C ATOM 0 H THR A 86 10.623 41.748 26.501 1.00 15.00 H new ATOM 0 HA THR A 86 11.643 41.735 23.874 1.00 15.00 H new ATOM 0 HB THR A 86 12.400 39.972 26.248 1.00 15.00 H new ATOM 0 HG1 THR A 86 13.862 41.729 26.699 1.00 15.00 H new ATOM 0 HG21 THR A 86 14.638 40.010 25.188 1.00 15.00 H new ATOM 0 HG22 THR A 86 13.422 39.317 24.089 1.00 15.00 H new ATOM 0 HG23 THR A 86 13.989 40.987 23.850 1.00 15.00 H new ATOM 757 N ILE A 87 10.195 38.936 24.867 1.00 15.00 N ATOM 758 CA ILE A 87 9.679 37.655 24.393 1.00 15.00 C ATOM 759 C ILE A 87 8.732 37.877 23.216 1.00 15.00 C ATOM 760 O ILE A 87 8.820 37.196 22.196 1.00 15.00 O ATOM 761 CB ILE A 87 8.948 36.929 25.530 1.00 15.00 C ATOM 762 CG1 ILE A 87 9.903 36.733 26.710 1.00 15.00 C ATOM 763 CG2 ILE A 87 8.463 35.557 25.052 1.00 15.00 C ATOM 764 CD1 ILE A 87 9.133 36.175 27.908 1.00 15.00 C ATOM 0 H ILE A 87 10.003 39.136 25.848 1.00 15.00 H new ATOM 0 HA ILE A 87 10.514 37.038 24.062 1.00 15.00 H new ATOM 0 HB ILE A 87 8.092 37.530 25.838 1.00 15.00 H new ATOM 0 HG12 ILE A 87 10.706 36.050 26.431 1.00 15.00 H new ATOM 0 HG13 ILE A 87 10.369 37.682 26.975 1.00 15.00 H new ATOM 0 HG21 ILE A 87 7.946 35.050 25.866 1.00 15.00 H new ATOM 0 HG22 ILE A 87 7.780 35.685 24.212 1.00 15.00 H new ATOM 0 HG23 ILE A 87 9.318 34.958 24.737 1.00 15.00 H new ATOM 0 HD11 ILE A 87 9.815 36.036 28.747 1.00 15.00 H new ATOM 0 HD12 ILE A 87 8.346 36.874 28.192 1.00 15.00 H new ATOM 0 HD13 ILE A 87 8.688 35.217 27.640 1.00 15.00 H new ATOM 776 N TRP A 88 7.839 38.848 23.361 1.00 15.00 N ATOM 777 CA TRP A 88 6.889 39.159 22.300 1.00 15.00 C ATOM 778 C TRP A 88 7.604 39.569 21.016 1.00 15.00 C ATOM 779 O TRP A 88 7.282 39.075 19.937 1.00 15.00 O ATOM 780 CB TRP A 88 5.956 40.288 22.741 1.00 15.00 C ATOM 781 CG TRP A 88 4.904 40.614 21.728 1.00 15.00 C ATOM 782 CD1 TRP A 88 3.714 39.982 21.610 1.00 15.00 C ATOM 783 CD2 TRP A 88 4.931 41.634 20.687 1.00 15.00 C ATOM 784 NE1 TRP A 88 3.007 40.549 20.565 1.00 15.00 N ATOM 785 CE2 TRP A 88 3.715 41.571 19.964 1.00 15.00 C ATOM 786 CE3 TRP A 88 5.881 42.597 20.304 1.00 15.00 C ATOM 787 CZ2 TRP A 88 3.452 42.436 18.898 1.00 15.00 C ATOM 788 CZ3 TRP A 88 5.620 43.467 19.234 1.00 15.00 C ATOM 789 CH2 TRP A 88 4.410 43.387 18.533 1.00 15.00 C ATOM 0 H TRP A 88 7.752 39.429 24.195 1.00 15.00 H new ATOM 0 HA TRP A 88 6.309 38.258 22.102 1.00 15.00 H new ATOM 0 HB2 TRP A 88 5.474 40.007 23.678 1.00 15.00 H new ATOM 0 HB3 TRP A 88 6.547 41.182 22.942 1.00 15.00 H new ATOM 0 HD1 TRP A 88 3.372 39.167 22.231 1.00 15.00 H new ATOM 0 HE1 TRP A 88 2.077 40.249 20.274 1.00 15.00 H new ATOM 0 HE3 TRP A 88 6.818 42.668 20.837 1.00 15.00 H new ATOM 0 HZ2 TRP A 88 2.517 42.370 18.361 1.00 15.00 H new ATOM 0 HZ3 TRP A 88 6.357 44.203 18.949 1.00 15.00 H new ATOM 0 HH2 TRP A 88 4.217 44.060 17.711 1.00 15.00 H new ATOM 800 N SER A 89 8.596 40.446 21.131 1.00 15.00 N ATOM 801 CA SER A 89 9.282 40.965 19.949 1.00 15.00 C ATOM 802 C SER A 89 9.820 39.833 19.076 1.00 15.00 C ATOM 803 O SER A 89 9.762 39.911 17.848 1.00 15.00 O ATOM 804 CB SER A 89 10.437 41.872 20.374 1.00 15.00 C ATOM 805 OG SER A 89 11.462 41.082 20.959 1.00 15.00 O ATOM 0 H SER A 89 8.941 40.810 22.019 1.00 15.00 H new ATOM 0 HA SER A 89 8.559 41.535 19.366 1.00 15.00 H new ATOM 0 HB2 SER A 89 10.826 42.413 19.512 1.00 15.00 H new ATOM 0 HB3 SER A 89 10.086 42.618 21.086 1.00 15.00 H new ATOM 0 HG SER A 89 11.060 40.396 21.531 1.00 15.00 H new ATOM 811 N LEU A 90 10.343 38.786 19.709 1.00 15.00 N ATOM 812 CA LEU A 90 10.861 37.643 18.961 1.00 15.00 C ATOM 813 C LEU A 90 9.729 36.810 18.358 1.00 15.00 C ATOM 814 O LEU A 90 9.703 36.561 17.153 1.00 15.00 O ATOM 815 CB LEU A 90 11.707 36.762 19.883 1.00 15.00 C ATOM 816 CG LEU A 90 12.869 37.579 20.452 1.00 15.00 C ATOM 817 CD1 LEU A 90 13.615 36.747 21.498 1.00 15.00 C ATOM 818 CD2 LEU A 90 13.833 37.951 19.324 1.00 15.00 C ATOM 0 H LEU A 90 10.419 38.705 20.723 1.00 15.00 H new ATOM 0 HA LEU A 90 11.475 38.026 18.145 1.00 15.00 H new ATOM 0 HB2 LEU A 90 11.092 36.372 20.694 1.00 15.00 H new ATOM 0 HB3 LEU A 90 12.089 35.903 19.331 1.00 15.00 H new ATOM 0 HG LEU A 90 12.480 38.486 20.915 1.00 15.00 H new ATOM 0 HD11 LEU A 90 14.443 37.329 21.903 1.00 15.00 H new ATOM 0 HD12 LEU A 90 12.932 36.478 22.304 1.00 15.00 H new ATOM 0 HD13 LEU A 90 14.002 35.840 21.033 1.00 15.00 H new ATOM 0 HD21 LEU A 90 14.661 38.533 19.730 1.00 15.00 H new ATOM 0 HD22 LEU A 90 14.220 37.043 18.862 1.00 15.00 H new ATOM 0 HD23 LEU A 90 13.306 38.543 18.575 1.00 15.00 H new ATOM 830 N ASN A 91 8.774 36.409 19.192 1.00 15.00 N ATOM 831 CA ASN A 91 7.695 35.528 18.739 1.00 15.00 C ATOM 832 C ASN A 91 6.494 36.281 18.152 1.00 15.00 C ATOM 833 O ASN A 91 5.452 35.676 17.902 1.00 15.00 O ATOM 834 CB ASN A 91 7.222 34.657 19.905 1.00 15.00 C ATOM 835 CG ASN A 91 8.348 33.727 20.343 1.00 15.00 C ATOM 836 OD1 ASN A 91 8.252 32.510 20.184 1.00 15.00 O ATOM 837 ND2 ASN A 91 9.424 34.228 20.886 1.00 15.00 N ATOM 0 H ASN A 91 8.722 36.675 20.175 1.00 15.00 H new ATOM 0 HA ASN A 91 8.109 34.918 17.936 1.00 15.00 H new ATOM 0 HB2 ASN A 91 6.912 35.287 20.739 1.00 15.00 H new ATOM 0 HB3 ASN A 91 6.351 34.074 19.606 1.00 15.00 H new ATOM 0 HD21 ASN A 91 10.183 33.612 21.177 1.00 15.00 H new ATOM 0 HD22 ASN A 91 9.506 35.236 21.019 1.00 15.00 H new ATOM 844 N LYS A 92 6.622 37.588 17.935 1.00 15.00 N ATOM 845 CA LYS A 92 5.544 38.367 17.334 1.00 15.00 C ATOM 846 C LYS A 92 5.044 37.745 16.026 1.00 15.00 C ATOM 847 O LYS A 92 3.882 37.925 15.659 1.00 15.00 O ATOM 848 CB LYS A 92 6.012 39.814 17.112 1.00 15.00 C ATOM 849 CG LYS A 92 7.095 39.883 16.028 1.00 15.00 C ATOM 850 CD LYS A 92 7.626 41.314 15.925 1.00 15.00 C ATOM 851 CE LYS A 92 8.463 41.459 14.653 1.00 15.00 C ATOM 852 NZ LYS A 92 8.660 42.906 14.351 1.00 15.00 N ATOM 0 H LYS A 92 7.457 38.127 18.165 1.00 15.00 H new ATOM 0 HA LYS A 92 4.700 38.365 18.024 1.00 15.00 H new ATOM 0 HB2 LYS A 92 5.163 40.434 16.823 1.00 15.00 H new ATOM 0 HB3 LYS A 92 6.401 40.221 18.045 1.00 15.00 H new ATOM 0 HG2 LYS A 92 7.909 39.199 16.268 1.00 15.00 H new ATOM 0 HG3 LYS A 92 6.685 39.566 15.069 1.00 15.00 H new ATOM 0 HD2 LYS A 92 6.796 42.021 15.909 1.00 15.00 H new ATOM 0 HD3 LYS A 92 8.231 41.552 16.800 1.00 15.00 H new ATOM 0 HE2 LYS A 92 9.428 40.969 14.782 1.00 15.00 H new ATOM 0 HE3 LYS A 92 7.964 40.967 13.818 1.00 15.00 H new ATOM 0 HZ1 LYS A 92 9.229 43.006 13.486 1.00 15.00 H new ATOM 0 HZ2 LYS A 92 7.735 43.361 14.211 1.00 15.00 H new ATOM 0 HZ3 LYS A 92 9.153 43.362 15.145 1.00 15.00 H new ATOM 866 N HIS A 93 5.919 37.038 15.314 1.00 15.00 N ATOM 867 CA HIS A 93 5.524 36.401 14.063 1.00 15.00 C ATOM 868 C HIS A 93 4.617 35.195 14.316 1.00 15.00 C ATOM 869 O HIS A 93 3.693 34.938 13.546 1.00 15.00 O ATOM 870 CB HIS A 93 6.766 35.984 13.266 1.00 15.00 C ATOM 871 CG HIS A 93 7.530 34.820 13.841 1.00 15.00 C ATOM 872 ND1 HIS A 93 8.494 34.968 14.829 1.00 15.00 N ATOM 873 CD2 HIS A 93 7.499 33.477 13.550 1.00 15.00 C ATOM 874 CE1 HIS A 93 9.000 33.749 15.088 1.00 15.00 C ATOM 875 NE2 HIS A 93 8.429 32.804 14.338 1.00 15.00 N ATOM 0 H HIS A 93 6.893 36.894 15.578 1.00 15.00 H new ATOM 0 HA HIS A 93 4.957 37.125 13.478 1.00 15.00 H new ATOM 0 HB2 HIS A 93 6.460 35.732 12.251 1.00 15.00 H new ATOM 0 HB3 HIS A 93 7.437 36.840 13.194 1.00 15.00 H new ATOM 0 HD1 HIS A 93 8.769 35.842 15.277 1.00 15.00 H new ATOM 0 HD2 HIS A 93 6.851 33.014 12.820 1.00 15.00 H new ATOM 0 HE1 HIS A 93 9.775 33.558 15.815 1.00 15.00 H new ATOM 883 N LEU A 94 4.879 34.460 15.395 1.00 15.00 N ATOM 884 CA LEU A 94 4.078 33.281 15.715 1.00 15.00 C ATOM 885 C LEU A 94 2.678 33.667 16.185 1.00 15.00 C ATOM 886 O LEU A 94 1.689 33.058 15.775 1.00 15.00 O ATOM 887 CB LEU A 94 4.762 32.461 16.813 1.00 15.00 C ATOM 888 CG LEU A 94 6.164 32.046 16.362 1.00 15.00 C ATOM 889 CD1 LEU A 94 6.873 31.321 17.507 1.00 15.00 C ATOM 890 CD2 LEU A 94 6.064 31.105 15.158 1.00 15.00 C ATOM 0 H LEU A 94 5.631 34.657 16.056 1.00 15.00 H new ATOM 0 HA LEU A 94 3.990 32.688 14.804 1.00 15.00 H new ATOM 0 HB2 LEU A 94 4.825 33.047 17.730 1.00 15.00 H new ATOM 0 HB3 LEU A 94 4.168 31.576 17.041 1.00 15.00 H new ATOM 0 HG LEU A 94 6.728 32.936 16.082 1.00 15.00 H new ATOM 0 HD11 LEU A 94 7.872 31.025 17.187 1.00 15.00 H new ATOM 0 HD12 LEU A 94 6.950 31.987 18.367 1.00 15.00 H new ATOM 0 HD13 LEU A 94 6.303 30.434 17.784 1.00 15.00 H new ATOM 0 HD21 LEU A 94 7.065 30.812 14.841 1.00 15.00 H new ATOM 0 HD22 LEU A 94 5.497 30.216 15.437 1.00 15.00 H new ATOM 0 HD23 LEU A 94 5.558 31.615 14.338 1.00 15.00 H new ATOM 902 N TYR A 95 2.595 34.680 17.044 1.00 15.00 N ATOM 903 CA TYR A 95 1.313 35.098 17.613 1.00 15.00 C ATOM 904 C TYR A 95 0.953 36.512 17.171 1.00 15.00 C ATOM 905 O TYR A 95 1.826 37.357 16.980 1.00 15.00 O ATOM 906 CB TYR A 95 1.384 35.035 19.139 1.00 15.00 C ATOM 907 CG TYR A 95 1.717 33.657 19.660 1.00 15.00 C ATOM 908 CD1 TYR A 95 0.714 32.686 19.758 1.00 15.00 C ATOM 909 CD2 TYR A 95 3.029 33.350 20.042 1.00 15.00 C ATOM 910 CE1 TYR A 95 1.022 31.407 20.238 1.00 15.00 C ATOM 911 CE2 TYR A 95 3.337 32.071 20.521 1.00 15.00 C ATOM 912 CZ TYR A 95 2.333 31.099 20.620 1.00 15.00 C ATOM 913 OH TYR A 95 2.633 29.838 21.093 1.00 15.00 O ATOM 0 H TYR A 95 3.396 35.226 17.361 1.00 15.00 H new ATOM 0 HA TYR A 95 0.539 34.420 17.253 1.00 15.00 H new ATOM 0 HB2 TYR A 95 2.136 35.742 19.491 1.00 15.00 H new ATOM 0 HB3 TYR A 95 0.428 35.353 19.555 1.00 15.00 H new ATOM 0 HD1 TYR A 95 -0.298 32.923 19.463 1.00 15.00 H new ATOM 0 HD2 TYR A 95 3.803 34.100 19.967 1.00 15.00 H new ATOM 0 HE1 TYR A 95 0.248 30.658 20.313 1.00 15.00 H new ATOM 0 HE2 TYR A 95 4.349 31.834 20.814 1.00 15.00 H new ATOM 0 HH TYR A 95 3.510 29.562 20.755 1.00 15.00 H new ATOM 923 N SER A 96 -0.344 36.764 17.028 1.00 15.00 N ATOM 924 CA SER A 96 -0.818 38.048 16.523 1.00 15.00 C ATOM 925 C SER A 96 -0.671 39.156 17.562 1.00 15.00 C ATOM 926 O SER A 96 -0.296 40.280 17.228 1.00 15.00 O ATOM 927 CB SER A 96 -2.286 37.930 16.113 1.00 15.00 C ATOM 928 OG SER A 96 -2.425 36.868 15.178 1.00 15.00 O ATOM 0 H SER A 96 -1.084 36.099 17.254 1.00 15.00 H new ATOM 0 HA SER A 96 -0.205 38.311 15.661 1.00 15.00 H new ATOM 0 HB2 SER A 96 -2.907 37.743 16.989 1.00 15.00 H new ATOM 0 HB3 SER A 96 -2.630 38.866 15.673 1.00 15.00 H new ATOM 0 HG SER A 96 -3.365 36.787 14.913 1.00 15.00 H new ATOM 934 N SER A 97 -0.964 38.839 18.820 1.00 15.00 N ATOM 935 CA SER A 97 -0.960 39.855 19.868 1.00 15.00 C ATOM 936 C SER A 97 -0.590 39.257 21.223 1.00 15.00 C ATOM 937 O SER A 97 -0.517 38.038 21.379 1.00 15.00 O ATOM 938 CB SER A 97 -2.340 40.509 19.960 1.00 15.00 C ATOM 939 OG SER A 97 -3.267 39.570 20.488 1.00 15.00 O ATOM 0 H SER A 97 -1.204 37.899 19.136 1.00 15.00 H new ATOM 0 HA SER A 97 -0.210 40.602 19.608 1.00 15.00 H new ATOM 0 HB2 SER A 97 -2.296 41.392 20.597 1.00 15.00 H new ATOM 0 HB3 SER A 97 -2.664 40.843 18.974 1.00 15.00 H new ATOM 0 HG SER A 97 -4.153 39.985 20.551 1.00 15.00 H new ATOM 945 N GLU A 98 -0.359 40.133 22.197 1.00 15.00 N ATOM 946 CA GLU A 98 0.011 39.695 23.540 1.00 15.00 C ATOM 947 C GLU A 98 -1.109 38.885 24.190 1.00 15.00 C ATOM 948 O GLU A 98 -0.845 37.945 24.938 1.00 15.00 O ATOM 949 CB GLU A 98 0.336 40.899 24.431 1.00 15.00 C ATOM 950 CG GLU A 98 1.601 41.609 23.930 1.00 15.00 C ATOM 951 CD GLU A 98 1.311 42.497 22.718 1.00 15.00 C ATOM 952 OE1 GLU A 98 0.157 42.828 22.492 1.00 15.00 O ATOM 953 OE2 GLU A 98 2.258 42.839 22.030 1.00 15.00 O ATOM 0 H GLU A 98 -0.421 41.145 22.083 1.00 15.00 H new ATOM 0 HA GLU A 98 0.893 39.063 23.441 1.00 15.00 H new ATOM 0 HB2 GLU A 98 -0.503 41.595 24.433 1.00 15.00 H new ATOM 0 HB3 GLU A 98 0.479 40.570 25.460 1.00 15.00 H new ATOM 0 HG2 GLU A 98 2.020 42.215 24.733 1.00 15.00 H new ATOM 0 HG3 GLU A 98 2.354 40.867 23.665 1.00 15.00 H new ATOM 960 N SER A 99 -2.359 39.244 23.904 1.00 15.00 N ATOM 961 CA SER A 99 -3.496 38.560 24.514 1.00 15.00 C ATOM 962 C SER A 99 -3.437 37.060 24.240 1.00 15.00 C ATOM 963 O SER A 99 -3.638 36.245 25.141 1.00 15.00 O ATOM 964 CB SER A 99 -4.803 39.130 23.961 1.00 15.00 C ATOM 965 OG SER A 99 -5.893 38.596 24.700 1.00 15.00 O ATOM 0 H SER A 99 -2.608 39.996 23.261 1.00 15.00 H new ATOM 0 HA SER A 99 -3.454 38.719 25.591 1.00 15.00 H new ATOM 0 HB2 SER A 99 -4.798 40.218 24.031 1.00 15.00 H new ATOM 0 HB3 SER A 99 -4.906 38.879 22.905 1.00 15.00 H new ATOM 0 HG SER A 99 -6.734 38.959 24.351 1.00 15.00 H new ATOM 971 N GLU A 100 -3.120 36.699 23.001 1.00 15.00 N ATOM 972 CA GLU A 100 -3.029 35.291 22.632 1.00 15.00 C ATOM 973 C GLU A 100 -1.943 34.575 23.433 1.00 15.00 C ATOM 974 O GLU A 100 -2.089 33.399 23.768 1.00 15.00 O ATOM 975 CB GLU A 100 -2.750 35.163 21.132 1.00 15.00 C ATOM 976 CG GLU A 100 -3.956 35.697 20.351 1.00 15.00 C ATOM 977 CD GLU A 100 -3.774 35.529 18.840 1.00 15.00 C ATOM 978 OE1 GLU A 100 -2.661 35.288 18.398 1.00 15.00 O ATOM 979 OE2 GLU A 100 -4.759 35.678 18.135 1.00 15.00 O ATOM 0 H GLU A 100 -2.924 37.353 22.243 1.00 15.00 H new ATOM 0 HA GLU A 100 -3.983 34.817 22.864 1.00 15.00 H new ATOM 0 HB2 GLU A 100 -1.853 35.722 20.867 1.00 15.00 H new ATOM 0 HB3 GLU A 100 -2.565 34.121 20.871 1.00 15.00 H new ATOM 0 HG2 GLU A 100 -4.857 35.172 20.669 1.00 15.00 H new ATOM 0 HG3 GLU A 100 -4.102 36.752 20.585 1.00 15.00 H new ATOM 986 N MET A 101 -0.854 35.279 23.740 1.00 15.00 N ATOM 987 CA MET A 101 0.226 34.688 24.523 1.00 15.00 C ATOM 988 C MET A 101 -0.255 34.344 25.930 1.00 15.00 C ATOM 989 O MET A 101 -0.083 33.219 26.399 1.00 15.00 O ATOM 990 CB MET A 101 1.398 35.668 24.611 1.00 15.00 C ATOM 991 CG MET A 101 1.964 35.917 23.211 1.00 15.00 C ATOM 992 SD MET A 101 3.473 36.912 23.335 1.00 15.00 S ATOM 993 CE MET A 101 4.558 35.625 24.001 1.00 15.00 C ATOM 0 H MET A 101 -0.698 36.248 23.462 1.00 15.00 H new ATOM 0 HA MET A 101 0.549 33.772 24.028 1.00 15.00 H new ATOM 0 HB2 MET A 101 1.067 36.608 25.053 1.00 15.00 H new ATOM 0 HB3 MET A 101 2.174 35.265 25.262 1.00 15.00 H new ATOM 0 HG2 MET A 101 2.181 34.968 22.721 1.00 15.00 H new ATOM 0 HG3 MET A 101 1.226 36.432 22.596 1.00 15.00 H new ATOM 0 HE1 MET A 101 4.842 35.881 25.022 1.00 15.00 H new ATOM 0 HE2 MET A 101 4.033 34.670 23.999 1.00 15.00 H new ATOM 0 HE3 MET A 101 5.453 35.549 23.384 1.00 15.00 H new ATOM 1003 N MET A 102 -0.917 35.296 26.576 1.00 15.00 N ATOM 1004 CA MET A 102 -1.395 35.094 27.941 1.00 15.00 C ATOM 1005 C MET A 102 -2.369 33.921 28.023 1.00 15.00 C ATOM 1006 O MET A 102 -2.366 33.168 28.998 1.00 15.00 O ATOM 1007 CB MET A 102 -2.086 36.364 28.442 1.00 15.00 C ATOM 1008 CG MET A 102 -1.073 37.508 28.507 1.00 15.00 C ATOM 1009 SD MET A 102 -1.832 38.942 29.308 1.00 15.00 S ATOM 1010 CE MET A 102 -1.845 38.282 30.993 1.00 15.00 C ATOM 0 H MET A 102 -1.135 36.211 26.181 1.00 15.00 H new ATOM 0 HA MET A 102 -0.532 34.868 28.568 1.00 15.00 H new ATOM 0 HB2 MET A 102 -2.907 36.630 27.777 1.00 15.00 H new ATOM 0 HB3 MET A 102 -2.518 36.191 29.428 1.00 15.00 H new ATOM 0 HG2 MET A 102 -0.189 37.194 29.062 1.00 15.00 H new ATOM 0 HG3 MET A 102 -0.742 37.772 27.503 1.00 15.00 H new ATOM 0 HE1 MET A 102 -1.793 39.105 31.706 1.00 15.00 H new ATOM 0 HE2 MET A 102 -2.763 37.718 31.156 1.00 15.00 H new ATOM 0 HE3 MET A 102 -0.986 37.625 31.133 1.00 15.00 H new ATOM 1020 N LYS A 103 -3.201 33.771 26.997 1.00 15.00 N ATOM 1021 CA LYS A 103 -4.203 32.705 26.979 1.00 15.00 C ATOM 1022 C LYS A 103 -3.688 31.417 26.323 1.00 15.00 C ATOM 1023 O LYS A 103 -4.486 30.545 25.977 1.00 15.00 O ATOM 1024 CB LYS A 103 -5.442 33.186 26.221 1.00 15.00 C ATOM 1025 CG LYS A 103 -6.073 34.366 26.964 1.00 15.00 C ATOM 1026 CD LYS A 103 -7.370 34.774 26.262 1.00 15.00 C ATOM 1027 CE LYS A 103 -7.939 36.029 26.926 1.00 15.00 C ATOM 1028 NZ LYS A 103 -9.400 36.121 26.647 1.00 15.00 N ATOM 0 H LYS A 103 -3.204 34.369 26.171 1.00 15.00 H new ATOM 0 HA LYS A 103 -4.443 32.473 28.017 1.00 15.00 H new ATOM 0 HB2 LYS A 103 -5.168 33.485 25.209 1.00 15.00 H new ATOM 0 HB3 LYS A 103 -6.163 32.374 26.129 1.00 15.00 H new ATOM 0 HG2 LYS A 103 -6.278 34.091 27.999 1.00 15.00 H new ATOM 0 HG3 LYS A 103 -5.380 35.207 26.989 1.00 15.00 H new ATOM 0 HD2 LYS A 103 -7.180 34.964 25.206 1.00 15.00 H new ATOM 0 HD3 LYS A 103 -8.095 33.962 26.315 1.00 15.00 H new ATOM 0 HE2 LYS A 103 -7.765 35.995 28.001 1.00 15.00 H new ATOM 0 HE3 LYS A 103 -7.430 36.916 26.549 1.00 15.00 H new ATOM 0 HZ1 LYS A 103 -9.787 36.974 27.099 1.00 15.00 H new ATOM 0 HZ2 LYS A 103 -9.555 36.172 25.620 1.00 15.00 H new ATOM 0 HZ3 LYS A 103 -9.880 35.280 27.028 1.00 15.00 H new ATOM 1042 N ALA A 104 -2.372 31.284 26.151 1.00 15.00 N ATOM 1043 CA ALA A 104 -1.804 30.097 25.519 1.00 15.00 C ATOM 1044 C ALA A 104 -2.274 28.823 26.216 1.00 15.00 C ATOM 1045 O ALA A 104 -2.462 28.798 27.433 1.00 15.00 O ATOM 1046 CB ALA A 104 -0.276 30.167 25.562 1.00 15.00 C ATOM 0 H ALA A 104 -1.685 31.980 26.439 1.00 15.00 H new ATOM 0 HA ALA A 104 -2.144 30.070 24.484 1.00 15.00 H new ATOM 0 HB1 ALA A 104 0.142 29.279 25.089 1.00 15.00 H new ATOM 0 HB2 ALA A 104 0.063 31.055 25.029 1.00 15.00 H new ATOM 0 HB3 ALA A 104 0.057 30.217 26.599 1.00 15.00 H new ATOM 1052 N ALA A 105 -2.459 27.767 25.429 1.00 15.00 N ATOM 1053 CA ALA A 105 -2.926 26.487 25.953 1.00 15.00 C ATOM 1054 C ALA A 105 -1.918 25.378 25.639 1.00 15.00 C ATOM 1055 O ALA A 105 -0.989 25.600 24.861 1.00 15.00 O ATOM 1056 CB ALA A 105 -4.280 26.135 25.334 1.00 15.00 C ATOM 0 H ALA A 105 -2.292 27.773 24.423 1.00 15.00 H new ATOM 0 HA ALA A 105 -3.030 26.574 27.035 1.00 15.00 H new ATOM 0 HB1 ALA A 105 -4.623 25.179 25.729 1.00 15.00 H new ATOM 0 HB2 ALA A 105 -5.005 26.911 25.580 1.00 15.00 H new ATOM 0 HB3 ALA A 105 -4.178 26.065 24.251 1.00 15.00 H new ATOM 1062 N PRO A 106 -2.067 24.203 26.215 1.00 15.00 N ATOM 1063 CA PRO A 106 -1.097 23.088 25.976 1.00 15.00 C ATOM 1064 C PRO A 106 -1.011 22.700 24.502 1.00 15.00 C ATOM 1065 O PRO A 106 -2.001 22.761 23.774 1.00 15.00 O ATOM 1066 CB PRO A 106 -1.628 21.920 26.818 1.00 15.00 C ATOM 1067 CG PRO A 106 -2.571 22.524 27.801 1.00 15.00 C ATOM 1068 CD PRO A 106 -3.139 23.772 27.136 1.00 15.00 C ATOM 0 HA PRO A 106 -0.084 23.380 26.254 1.00 15.00 H new ATOM 0 HB2 PRO A 106 -2.134 21.185 26.192 1.00 15.00 H new ATOM 0 HB3 PRO A 106 -0.814 21.401 27.325 1.00 15.00 H new ATOM 0 HG2 PRO A 106 -3.366 21.824 28.058 1.00 15.00 H new ATOM 0 HG3 PRO A 106 -2.057 22.777 28.728 1.00 15.00 H new ATOM 0 HD2 PRO A 106 -4.063 23.554 26.600 1.00 15.00 H new ATOM 0 HD3 PRO A 106 -3.371 24.545 27.869 1.00 15.00 H new ATOM 1076 N GLY A 107 0.182 22.298 24.072 1.00 15.00 N ATOM 1077 CA GLY A 107 0.381 21.843 22.697 1.00 15.00 C ATOM 1078 C GLY A 107 1.054 22.890 21.805 1.00 15.00 C ATOM 1079 O GLY A 107 1.552 22.548 20.730 1.00 15.00 O ATOM 0 H GLY A 107 1.022 22.278 24.651 1.00 15.00 H new ATOM 0 HA2 GLY A 107 0.988 20.938 22.705 1.00 15.00 H new ATOM 0 HA3 GLY A 107 -0.584 21.575 22.267 1.00 15.00 H new ATOM 1083 N GLN A 108 1.077 24.154 22.231 1.00 15.00 N ATOM 1084 CA GLN A 108 1.693 25.205 21.428 1.00 15.00 C ATOM 1085 C GLN A 108 3.187 25.297 21.717 1.00 15.00 C ATOM 1086 O GLN A 108 3.648 24.892 22.781 1.00 15.00 O ATOM 1087 CB GLN A 108 1.017 26.550 21.698 1.00 15.00 C ATOM 1088 CG GLN A 108 -0.428 26.495 21.198 1.00 15.00 C ATOM 1089 CD GLN A 108 -1.103 27.847 21.395 1.00 15.00 C ATOM 1090 OE1 GLN A 108 -1.594 28.139 22.485 1.00 15.00 O ATOM 1091 NE2 GLN A 108 -1.157 28.692 20.402 1.00 15.00 N ATOM 0 H GLN A 108 0.681 24.470 23.116 1.00 15.00 H new ATOM 0 HA GLN A 108 1.560 24.953 20.376 1.00 15.00 H new ATOM 0 HB2 GLN A 108 1.037 26.773 22.765 1.00 15.00 H new ATOM 0 HB3 GLN A 108 1.559 27.351 21.194 1.00 15.00 H new ATOM 0 HG2 GLN A 108 -0.446 26.221 20.143 1.00 15.00 H new ATOM 0 HG3 GLN A 108 -0.978 25.723 21.737 1.00 15.00 H new ATOM 0 HE21 GLN A 108 -0.749 28.446 19.500 1.00 15.00 H new ATOM 0 HE22 GLN A 108 -1.607 29.598 20.528 1.00 15.00 H new ATOM 1100 N GLN A 109 3.944 25.819 20.754 1.00 15.00 N ATOM 1101 CA GLN A 109 5.396 25.903 20.889 1.00 15.00 C ATOM 1102 C GLN A 109 5.857 27.353 20.998 1.00 15.00 C ATOM 1103 O GLN A 109 5.213 28.268 20.485 1.00 15.00 O ATOM 1104 CB GLN A 109 6.063 25.251 19.677 1.00 15.00 C ATOM 1105 CG GLN A 109 5.724 23.758 19.648 1.00 15.00 C ATOM 1106 CD GLN A 109 6.308 23.098 18.401 1.00 15.00 C ATOM 1107 OE1 GLN A 109 6.651 23.777 17.432 1.00 15.00 O ATOM 1108 NE2 GLN A 109 6.442 21.801 18.367 1.00 15.00 N ATOM 0 H GLN A 109 3.578 26.188 19.876 1.00 15.00 H new ATOM 0 HA GLN A 109 5.683 25.380 21.801 1.00 15.00 H new ATOM 0 HB2 GLN A 109 5.722 25.730 18.759 1.00 15.00 H new ATOM 0 HB3 GLN A 109 7.143 25.388 19.725 1.00 15.00 H new ATOM 0 HG2 GLN A 109 6.118 23.273 20.541 1.00 15.00 H new ATOM 0 HG3 GLN A 109 4.642 23.625 19.664 1.00 15.00 H new ATOM 0 HE21 GLN A 109 6.158 21.238 19.169 1.00 15.00 H new ATOM 0 HE22 GLN A 109 6.830 21.350 17.539 1.00 15.00 H new ATOM 1117 N ILE A 110 6.955 27.547 21.722 1.00 15.00 N ATOM 1118 CA ILE A 110 7.598 28.851 21.828 1.00 15.00 C ATOM 1119 C ILE A 110 9.068 28.721 21.439 1.00 15.00 C ATOM 1120 O ILE A 110 9.741 27.777 21.851 1.00 15.00 O ATOM 1121 CB ILE A 110 7.466 29.376 23.265 1.00 15.00 C ATOM 1122 CG1 ILE A 110 5.982 29.502 23.617 1.00 15.00 C ATOM 1123 CG2 ILE A 110 8.139 30.747 23.392 1.00 15.00 C ATOM 1124 CD1 ILE A 110 5.824 29.825 25.105 1.00 15.00 C ATOM 0 H ILE A 110 7.422 26.809 22.249 1.00 15.00 H new ATOM 0 HA ILE A 110 7.115 29.558 21.154 1.00 15.00 H new ATOM 0 HB ILE A 110 7.953 28.680 23.948 1.00 15.00 H new ATOM 0 HG12 ILE A 110 5.522 30.286 23.015 1.00 15.00 H new ATOM 0 HG13 ILE A 110 5.463 28.573 23.381 1.00 15.00 H new ATOM 0 HG21 ILE A 110 8.038 31.108 24.415 1.00 15.00 H new ATOM 0 HG22 ILE A 110 9.196 30.658 23.141 1.00 15.00 H new ATOM 0 HG23 ILE A 110 7.662 31.451 22.710 1.00 15.00 H new ATOM 0 HD11 ILE A 110 4.765 29.913 25.348 1.00 15.00 H new ATOM 0 HD12 ILE A 110 6.267 29.026 25.700 1.00 15.00 H new ATOM 0 HD13 ILE A 110 6.327 30.766 25.328 1.00 15.00 H new ATOM 1136 N ILE A 111 9.569 29.669 20.652 1.00 15.00 N ATOM 1137 CA ILE A 111 10.962 29.624 20.209 1.00 15.00 C ATOM 1138 C ILE A 111 11.785 30.680 20.943 1.00 15.00 C ATOM 1139 O ILE A 111 11.367 31.831 21.073 1.00 15.00 O ATOM 1140 CB ILE A 111 11.057 29.858 18.696 1.00 15.00 C ATOM 1141 CG1 ILE A 111 10.176 28.843 17.958 1.00 15.00 C ATOM 1142 CG2 ILE A 111 12.509 29.681 18.237 1.00 15.00 C ATOM 1143 CD1 ILE A 111 10.142 29.180 16.465 1.00 15.00 C ATOM 0 H ILE A 111 9.039 30.471 20.310 1.00 15.00 H new ATOM 0 HA ILE A 111 11.359 28.635 20.438 1.00 15.00 H new ATOM 0 HB ILE A 111 10.719 30.870 18.472 1.00 15.00 H new ATOM 0 HG12 ILE A 111 10.564 27.835 18.105 1.00 15.00 H new ATOM 0 HG13 ILE A 111 9.166 28.858 18.367 1.00 15.00 H new ATOM 0 HG21 ILE A 111 12.574 29.848 17.162 1.00 15.00 H new ATOM 0 HG22 ILE A 111 13.144 30.400 18.755 1.00 15.00 H new ATOM 0 HG23 ILE A 111 12.843 28.669 18.468 1.00 15.00 H new ATOM 0 HD11 ILE A 111 9.515 28.457 15.943 1.00 15.00 H new ATOM 0 HD12 ILE A 111 9.733 30.181 16.327 1.00 15.00 H new ATOM 0 HD13 ILE A 111 11.153 29.142 16.060 1.00 15.00 H new ATOM 1155 N LEU A 112 12.951 30.271 21.428 1.00 15.00 N ATOM 1156 CA LEU A 112 13.889 31.191 22.062 1.00 15.00 C ATOM 1157 C LEU A 112 15.204 31.201 21.280 1.00 15.00 C ATOM 1158 O LEU A 112 16.070 30.365 21.543 1.00 15.00 O ATOM 1159 CB LEU A 112 14.157 30.745 23.501 1.00 15.00 C ATOM 1160 CG LEU A 112 12.859 30.815 24.307 1.00 15.00 C ATOM 1161 CD1 LEU A 112 12.949 29.864 25.502 1.00 15.00 C ATOM 1162 CD2 LEU A 112 12.645 32.244 24.809 1.00 15.00 C ATOM 0 H LEU A 112 13.271 29.303 21.394 1.00 15.00 H new ATOM 0 HA LEU A 112 13.460 32.193 22.068 1.00 15.00 H new ATOM 0 HB2 LEU A 112 14.549 29.728 23.511 1.00 15.00 H new ATOM 0 HB3 LEU A 112 14.915 31.383 23.956 1.00 15.00 H new ATOM 0 HG LEU A 112 12.022 30.524 23.672 1.00 15.00 H new ATOM 0 HD11 LEU A 112 12.024 29.913 26.077 1.00 15.00 H new ATOM 0 HD12 LEU A 112 13.101 28.845 25.146 1.00 15.00 H new ATOM 0 HD13 LEU A 112 13.786 30.155 26.136 1.00 15.00 H new ATOM 0 HD21 LEU A 112 11.720 32.293 25.383 1.00 15.00 H new ATOM 0 HD22 LEU A 112 13.482 32.536 25.443 1.00 15.00 H new ATOM 0 HD23 LEU A 112 12.581 32.923 23.958 1.00 15.00 H new ATOM 1174 N PRO A 113 15.360 32.064 20.296 1.00 15.00 N ATOM 1175 CA PRO A 113 16.621 32.113 19.497 1.00 15.00 C ATOM 1176 C PRO A 113 17.755 32.811 20.243 1.00 15.00 C ATOM 1177 O PRO A 113 17.652 33.988 20.588 1.00 15.00 O ATOM 1178 CB PRO A 113 16.234 32.893 18.242 1.00 15.00 C ATOM 1179 CG PRO A 113 15.120 33.786 18.667 1.00 15.00 C ATOM 1180 CD PRO A 113 14.388 33.064 19.800 1.00 15.00 C ATOM 0 HA PRO A 113 17.000 31.114 19.281 1.00 15.00 H new ATOM 0 HB2 PRO A 113 17.077 33.469 17.860 1.00 15.00 H new ATOM 0 HB3 PRO A 113 15.918 32.222 17.443 1.00 15.00 H new ATOM 0 HG2 PRO A 113 15.503 34.749 19.005 1.00 15.00 H new ATOM 0 HG3 PRO A 113 14.445 33.986 17.835 1.00 15.00 H new ATOM 0 HD2 PRO A 113 14.096 33.758 20.588 1.00 15.00 H new ATOM 0 HD3 PRO A 113 13.476 32.586 19.442 1.00 15.00 H new