USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=18 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 -175:sc= 0.247 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 180:sc= -0.0767 USER MOD Single : A 77 SER OG : rot -52:sc= 0.259 USER MOD Single : A 78 LYS NZ :NH3+ 156:sc= -0.0755 (180deg=-0.6) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.2) USER MOD Single : A 83 ASN : amide:sc= -0.231 X(o=-0.23,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 -69:sc= 1.21 USER MOD Single : A 91 ASN : amide:sc= -2.3 K(o=-2.3,f=-5.9!) USER MOD Single : A 92 LYS NZ :NH3+ -130:sc= 0.449 (180deg=-0.0022) USER MOD Single : A 93 HIS : no HE2:sc= -2.31 K(o=-2.3,f=-5!) USER MOD Single : A 95 TYR OH : rot 131:sc= 0.21 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 137:sc= -0.176 (180deg=-0.995) USER MOD Single : A 102 MET CE :methyl 138:sc= -0.155 (180deg=-0.979) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.0934 K(o=-0.093,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 16.715 27.391 20.708 1.00 15.00 N ATOM 386 CA LEU A 63 16.187 26.460 21.703 1.00 15.00 C ATOM 387 C LEU A 63 14.665 26.401 21.627 1.00 15.00 C ATOM 388 O LEU A 63 13.995 27.433 21.634 1.00 15.00 O ATOM 389 CB LEU A 63 16.609 26.901 23.109 1.00 15.00 C ATOM 390 CG LEU A 63 18.136 27.000 23.193 1.00 15.00 C ATOM 391 CD1 LEU A 63 18.534 27.528 24.572 1.00 15.00 C ATOM 392 CD2 LEU A 63 18.756 25.615 22.989 1.00 15.00 C ATOM 0 HA LEU A 63 16.591 25.469 21.494 1.00 15.00 H new ATOM 0 HB2 LEU A 63 16.161 27.866 23.346 1.00 15.00 H new ATOM 0 HB3 LEU A 63 16.242 26.189 23.848 1.00 15.00 H new ATOM 0 HG LEU A 63 18.496 27.677 22.418 1.00 15.00 H new ATOM 0 HD11 LEU A 63 19.620 27.599 24.635 1.00 15.00 H new ATOM 0 HD12 LEU A 63 18.096 28.514 24.724 1.00 15.00 H new ATOM 0 HD13 LEU A 63 18.170 26.847 25.341 1.00 15.00 H new ATOM 0 HD21 LEU A 63 19.842 25.690 23.049 1.00 15.00 H new ATOM 0 HD22 LEU A 63 18.395 24.937 23.763 1.00 15.00 H new ATOM 0 HD23 LEU A 63 18.473 25.230 22.009 1.00 15.00 H new ATOM 404 N PHE A 64 14.127 25.190 21.527 1.00 15.00 N ATOM 405 CA PHE A 64 12.680 25.006 21.505 1.00 15.00 C ATOM 406 C PHE A 64 12.154 24.666 22.897 1.00 15.00 C ATOM 407 O PHE A 64 12.682 23.780 23.568 1.00 15.00 O ATOM 408 CB PHE A 64 12.308 23.886 20.533 1.00 15.00 C ATOM 409 CG PHE A 64 12.616 24.215 19.091 1.00 15.00 C ATOM 410 CD1 PHE A 64 11.703 24.955 18.331 1.00 15.00 C ATOM 411 CD2 PHE A 64 13.815 23.778 18.513 1.00 15.00 C ATOM 412 CE1 PHE A 64 11.988 25.259 16.994 1.00 15.00 C ATOM 413 CE2 PHE A 64 14.100 24.082 17.177 1.00 15.00 C ATOM 414 CZ PHE A 64 13.186 24.823 16.418 1.00 15.00 C ATOM 0 H PHE A 64 14.666 24.327 21.460 1.00 15.00 H new ATOM 0 HA PHE A 64 12.225 25.940 21.177 1.00 15.00 H new ATOM 0 HB2 PHE A 64 12.844 22.979 20.813 1.00 15.00 H new ATOM 0 HB3 PHE A 64 11.244 23.670 20.629 1.00 15.00 H new ATOM 0 HD1 PHE A 64 10.778 25.292 18.776 1.00 15.00 H new ATOM 0 HD2 PHE A 64 14.520 23.206 19.099 1.00 15.00 H new ATOM 0 HE1 PHE A 64 11.283 25.830 16.408 1.00 15.00 H new ATOM 0 HE2 PHE A 64 15.024 23.745 16.732 1.00 15.00 H new ATOM 0 HZ PHE A 64 13.406 25.058 15.387 1.00 15.00 H new ATOM 424 N TYR A 65 11.113 25.375 23.329 1.00 15.00 N ATOM 425 CA TYR A 65 10.460 25.070 24.600 1.00 15.00 C ATOM 426 C TYR A 65 8.975 24.811 24.358 1.00 15.00 C ATOM 427 O TYR A 65 8.356 25.471 23.527 1.00 15.00 O ATOM 428 CB TYR A 65 10.628 26.239 25.572 1.00 15.00 C ATOM 429 CG TYR A 65 10.243 25.898 26.992 1.00 15.00 C ATOM 430 CD1 TYR A 65 11.184 25.307 27.844 1.00 15.00 C ATOM 431 CD2 TYR A 65 8.951 26.170 27.458 1.00 15.00 C ATOM 432 CE1 TYR A 65 10.834 24.989 29.161 1.00 15.00 C ATOM 433 CE2 TYR A 65 8.601 25.852 28.776 1.00 15.00 C ATOM 434 CZ TYR A 65 9.543 25.261 29.628 1.00 15.00 C ATOM 435 OH TYR A 65 9.203 24.945 30.928 1.00 15.00 O ATOM 0 H TYR A 65 10.706 26.160 22.821 1.00 15.00 H new ATOM 0 HA TYR A 65 10.920 24.182 25.034 1.00 15.00 H new ATOM 0 HB2 TYR A 65 11.666 26.570 25.554 1.00 15.00 H new ATOM 0 HB3 TYR A 65 10.020 27.077 25.230 1.00 15.00 H new ATOM 0 HD1 TYR A 65 12.180 25.096 27.485 1.00 15.00 H new ATOM 0 HD2 TYR A 65 8.225 26.625 26.801 1.00 15.00 H new ATOM 0 HE1 TYR A 65 11.561 24.533 29.817 1.00 15.00 H new ATOM 0 HE2 TYR A 65 7.605 26.062 29.136 1.00 15.00 H new ATOM 0 HH TYR A 65 8.250 25.125 31.070 1.00 15.00 H new ATOM 445 N THR A 66 8.405 23.852 25.083 1.00 15.00 N ATOM 446 CA THR A 66 7.004 23.483 24.882 1.00 15.00 C ATOM 447 C THR A 66 6.162 23.849 26.101 1.00 15.00 C ATOM 448 O THR A 66 6.610 23.726 27.241 1.00 15.00 O ATOM 449 CB THR A 66 6.892 21.978 24.624 1.00 15.00 C ATOM 450 OG1 THR A 66 7.761 21.618 23.560 1.00 15.00 O ATOM 451 CG2 THR A 66 5.450 21.627 24.248 1.00 15.00 C ATOM 0 H THR A 66 8.885 23.320 25.809 1.00 15.00 H new ATOM 0 HA THR A 66 6.630 24.035 24.019 1.00 15.00 H new ATOM 0 HB THR A 66 7.172 21.432 25.525 1.00 15.00 H new ATOM 0 HG1 THR A 66 7.693 20.655 23.394 1.00 15.00 H new ATOM 0 HG21 THR A 66 5.372 20.555 24.065 1.00 15.00 H new ATOM 0 HG22 THR A 66 4.783 21.905 25.064 1.00 15.00 H new ATOM 0 HG23 THR A 66 5.166 22.171 23.347 1.00 15.00 H new ATOM 459 N LEU A 67 4.939 24.300 25.844 1.00 15.00 N ATOM 460 CA LEU A 67 4.016 24.650 26.916 1.00 15.00 C ATOM 461 C LEU A 67 3.282 23.410 27.414 1.00 15.00 C ATOM 462 O LEU A 67 2.547 22.773 26.662 1.00 15.00 O ATOM 463 CB LEU A 67 2.999 25.669 26.394 1.00 15.00 C ATOM 464 CG LEU A 67 3.702 26.989 26.068 1.00 15.00 C ATOM 465 CD1 LEU A 67 2.724 27.924 25.355 1.00 15.00 C ATOM 466 CD2 LEU A 67 4.179 27.648 27.365 1.00 15.00 C ATOM 0 H LEU A 67 4.565 24.431 24.904 1.00 15.00 H new ATOM 0 HA LEU A 67 4.581 25.078 27.744 1.00 15.00 H new ATOM 0 HB2 LEU A 67 2.506 25.280 25.503 1.00 15.00 H new ATOM 0 HB3 LEU A 67 2.222 25.836 27.141 1.00 15.00 H new ATOM 0 HG LEU A 67 4.558 26.794 25.422 1.00 15.00 H new ATOM 0 HD11 LEU A 67 3.224 28.864 25.122 1.00 15.00 H new ATOM 0 HD12 LEU A 67 2.382 27.457 24.432 1.00 15.00 H new ATOM 0 HD13 LEU A 67 1.869 28.118 26.002 1.00 15.00 H new ATOM 0 HD21 LEU A 67 4.680 28.588 27.133 1.00 15.00 H new ATOM 0 HD22 LEU A 67 3.323 27.843 28.010 1.00 15.00 H new ATOM 0 HD23 LEU A 67 4.875 26.983 27.876 1.00 15.00 H new ATOM 478 N LYS A 68 3.469 23.091 28.693 1.00 15.00 N ATOM 479 CA LYS A 68 2.838 21.916 29.288 1.00 15.00 C ATOM 480 C LYS A 68 1.728 22.331 30.249 1.00 15.00 C ATOM 481 O LYS A 68 1.762 23.417 30.826 1.00 15.00 O ATOM 482 CB LYS A 68 3.881 21.089 30.043 1.00 15.00 C ATOM 483 CG LYS A 68 4.910 20.538 29.053 1.00 15.00 C ATOM 484 CD LYS A 68 6.021 19.818 29.820 1.00 15.00 C ATOM 485 CE LYS A 68 5.461 18.545 30.457 1.00 15.00 C ATOM 486 NZ LYS A 68 6.569 17.573 30.678 1.00 15.00 N ATOM 0 H LYS A 68 4.051 23.629 29.336 1.00 15.00 H new ATOM 0 HA LYS A 68 2.406 21.316 28.487 1.00 15.00 H new ATOM 0 HB2 LYS A 68 4.376 21.706 30.793 1.00 15.00 H new ATOM 0 HB3 LYS A 68 3.396 20.270 30.574 1.00 15.00 H new ATOM 0 HG2 LYS A 68 4.429 19.850 28.357 1.00 15.00 H new ATOM 0 HG3 LYS A 68 5.330 21.350 28.459 1.00 15.00 H new ATOM 0 HD2 LYS A 68 6.840 19.569 29.146 1.00 15.00 H new ATOM 0 HD3 LYS A 68 6.429 20.473 30.590 1.00 15.00 H new ATOM 0 HE2 LYS A 68 4.976 18.782 31.404 1.00 15.00 H new ATOM 0 HE3 LYS A 68 4.701 18.106 29.811 1.00 15.00 H new ATOM 0 HZ1 LYS A 68 6.190 16.707 31.111 1.00 15.00 H new ATOM 0 HZ2 LYS A 68 7.012 17.339 29.767 1.00 15.00 H new ATOM 0 HZ3 LYS A 68 7.279 17.994 31.311 1.00 15.00 H new ATOM 500 N THR A 69 0.752 21.448 30.441 1.00 15.00 N ATOM 501 CA THR A 69 -0.378 21.747 31.316 1.00 15.00 C ATOM 502 C THR A 69 0.093 22.169 32.706 1.00 15.00 C ATOM 503 O THR A 69 0.964 21.531 33.298 1.00 15.00 O ATOM 504 CB THR A 69 -1.284 20.519 31.434 1.00 15.00 C ATOM 505 OG1 THR A 69 -2.360 20.810 32.314 1.00 15.00 O ATOM 506 CG2 THR A 69 -0.482 19.336 31.980 1.00 15.00 C ATOM 0 H THR A 69 0.720 20.526 30.006 1.00 15.00 H new ATOM 0 HA THR A 69 -0.934 22.575 30.876 1.00 15.00 H new ATOM 0 HB THR A 69 -1.676 20.263 30.450 1.00 15.00 H new ATOM 0 HG1 THR A 69 -2.942 20.025 32.389 1.00 15.00 H new ATOM 0 HG21 THR A 69 -1.131 18.464 32.063 1.00 15.00 H new ATOM 0 HG22 THR A 69 0.343 19.112 31.303 1.00 15.00 H new ATOM 0 HG23 THR A 69 -0.086 19.588 32.964 1.00 15.00 H new ATOM 514 N GLY A 70 -0.491 23.249 33.217 1.00 15.00 N ATOM 515 CA GLY A 70 -0.143 23.743 34.548 1.00 15.00 C ATOM 516 C GLY A 70 0.771 24.971 34.505 1.00 15.00 C ATOM 517 O GLY A 70 0.825 25.733 35.471 1.00 15.00 O ATOM 0 H GLY A 70 -1.203 23.797 32.734 1.00 15.00 H new ATOM 0 HA2 GLY A 70 -1.056 23.994 35.088 1.00 15.00 H new ATOM 0 HA3 GLY A 70 0.350 22.948 35.108 1.00 15.00 H new ATOM 521 N GLU A 71 1.487 25.173 33.399 1.00 15.00 N ATOM 522 CA GLU A 71 2.400 26.306 33.282 1.00 15.00 C ATOM 523 C GLU A 71 1.838 27.357 32.331 1.00 15.00 C ATOM 524 O GLU A 71 1.198 27.027 31.333 1.00 15.00 O ATOM 525 CB GLU A 71 3.757 25.829 32.760 1.00 15.00 C ATOM 526 CG GLU A 71 4.762 26.985 32.826 1.00 15.00 C ATOM 527 CD GLU A 71 6.118 26.601 32.221 1.00 15.00 C ATOM 528 OE1 GLU A 71 6.260 25.495 31.722 1.00 15.00 O ATOM 529 OE2 GLU A 71 7.008 27.434 32.272 1.00 15.00 O ATOM 0 H GLU A 71 1.452 24.570 32.577 1.00 15.00 H new ATOM 0 HA GLU A 71 2.520 26.751 34.270 1.00 15.00 H new ATOM 0 HB2 GLU A 71 4.113 24.988 33.355 1.00 15.00 H new ATOM 0 HB3 GLU A 71 3.660 25.475 31.734 1.00 15.00 H new ATOM 0 HG2 GLU A 71 4.359 27.847 32.295 1.00 15.00 H new ATOM 0 HG3 GLU A 71 4.900 27.287 33.864 1.00 15.00 H new ATOM 536 N THR A 72 2.085 28.626 32.649 1.00 15.00 N ATOM 537 CA THR A 72 1.643 29.727 31.796 1.00 15.00 C ATOM 538 C THR A 72 2.851 30.453 31.212 1.00 15.00 C ATOM 539 O THR A 72 3.968 30.325 31.714 1.00 15.00 O ATOM 540 CB THR A 72 0.795 30.719 32.601 1.00 15.00 C ATOM 541 OG1 THR A 72 1.598 31.326 33.602 1.00 15.00 O ATOM 542 CG2 THR A 72 -0.383 29.993 33.255 1.00 15.00 C ATOM 0 H THR A 72 2.587 28.917 33.488 1.00 15.00 H new ATOM 0 HA THR A 72 1.040 29.315 30.987 1.00 15.00 H new ATOM 0 HB THR A 72 0.409 31.486 31.929 1.00 15.00 H new ATOM 0 HG1 THR A 72 1.056 31.961 34.115 1.00 15.00 H new ATOM 0 HG21 THR A 72 -0.979 30.706 33.824 1.00 15.00 H new ATOM 0 HG22 THR A 72 -1.003 29.536 32.483 1.00 15.00 H new ATOM 0 HG23 THR A 72 -0.007 29.219 33.924 1.00 15.00 H new ATOM 550 N VAL A 73 2.621 31.233 30.161 1.00 15.00 N ATOM 551 CA VAL A 73 3.711 31.946 29.500 1.00 15.00 C ATOM 552 C VAL A 73 4.434 32.848 30.500 1.00 15.00 C ATOM 553 O VAL A 73 5.665 32.891 30.535 1.00 15.00 O ATOM 554 CB VAL A 73 3.161 32.781 28.336 1.00 15.00 C ATOM 555 CG1 VAL A 73 4.306 33.486 27.601 1.00 15.00 C ATOM 556 CG2 VAL A 73 2.425 31.868 27.352 1.00 15.00 C ATOM 0 H VAL A 73 1.700 31.388 29.751 1.00 15.00 H new ATOM 0 HA VAL A 73 4.422 31.219 29.108 1.00 15.00 H new ATOM 0 HB VAL A 73 2.475 33.528 28.735 1.00 15.00 H new ATOM 0 HG11 VAL A 73 3.902 34.075 26.778 1.00 15.00 H new ATOM 0 HG12 VAL A 73 4.832 34.143 28.293 1.00 15.00 H new ATOM 0 HG13 VAL A 73 4.999 32.742 27.209 1.00 15.00 H new ATOM 0 HG21 VAL A 73 2.035 32.463 26.526 1.00 15.00 H new ATOM 0 HG22 VAL A 73 3.115 31.118 26.965 1.00 15.00 H new ATOM 0 HG23 VAL A 73 1.600 31.372 27.863 1.00 15.00 H new ATOM 566 N ALA A 74 3.667 33.542 31.333 1.00 15.00 N ATOM 567 CA ALA A 74 4.253 34.461 32.302 1.00 15.00 C ATOM 568 C ALA A 74 5.171 33.717 33.269 1.00 15.00 C ATOM 569 O ALA A 74 6.264 34.189 33.582 1.00 15.00 O ATOM 570 CB ALA A 74 3.148 35.177 33.082 1.00 15.00 C ATOM 0 H ALA A 74 2.649 33.487 31.358 1.00 15.00 H new ATOM 0 HA ALA A 74 4.846 35.198 31.759 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.596 35.861 33.803 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.520 35.739 32.391 1.00 15.00 H new ATOM 0 HB3 ALA A 74 2.540 34.442 33.609 1.00 15.00 H new ATOM 576 N ASP A 75 4.741 32.541 33.720 1.00 15.00 N ATOM 577 CA ASP A 75 5.532 31.773 34.676 1.00 15.00 C ATOM 578 C ASP A 75 6.891 31.412 34.085 1.00 15.00 C ATOM 579 O ASP A 75 7.924 31.562 34.739 1.00 15.00 O ATOM 580 CB ASP A 75 4.787 30.494 35.074 1.00 15.00 C ATOM 581 CG ASP A 75 3.523 30.816 35.871 1.00 15.00 C ATOM 582 OD1 ASP A 75 3.451 31.887 36.457 1.00 15.00 O ATOM 583 OD2 ASP A 75 2.637 29.976 35.890 1.00 15.00 O ATOM 0 H ASP A 75 3.862 32.104 33.443 1.00 15.00 H new ATOM 0 HA ASP A 75 5.687 32.389 35.562 1.00 15.00 H new ATOM 0 HB2 ASP A 75 4.522 29.931 34.179 1.00 15.00 H new ATOM 0 HB3 ASP A 75 5.443 29.858 35.669 1.00 15.00 H new ATOM 588 N LEU A 76 6.888 30.963 32.834 1.00 15.00 N ATOM 589 CA LEU A 76 8.132 30.585 32.173 1.00 15.00 C ATOM 590 C LEU A 76 9.086 31.774 32.121 1.00 15.00 C ATOM 591 O LEU A 76 10.275 31.644 32.402 1.00 15.00 O ATOM 592 CB LEU A 76 7.837 30.094 30.752 1.00 15.00 C ATOM 593 CG LEU A 76 9.125 29.594 30.089 1.00 15.00 C ATOM 594 CD1 LEU A 76 9.556 28.273 30.730 1.00 15.00 C ATOM 595 CD2 LEU A 76 8.873 29.372 28.596 1.00 15.00 C ATOM 0 H LEU A 76 6.050 30.853 32.264 1.00 15.00 H new ATOM 0 HA LEU A 76 8.602 29.782 32.741 1.00 15.00 H new ATOM 0 HB2 LEU A 76 7.099 29.292 30.782 1.00 15.00 H new ATOM 0 HB3 LEU A 76 7.405 30.902 30.162 1.00 15.00 H new ATOM 0 HG LEU A 76 9.912 30.336 30.224 1.00 15.00 H new ATOM 0 HD11 LEU A 76 10.472 27.920 30.256 1.00 15.00 H new ATOM 0 HD12 LEU A 76 9.734 28.426 31.794 1.00 15.00 H new ATOM 0 HD13 LEU A 76 8.770 27.530 30.597 1.00 15.00 H new ATOM 0 HD21 LEU A 76 9.788 29.016 28.122 1.00 15.00 H new ATOM 0 HD22 LEU A 76 8.085 28.630 28.466 1.00 15.00 H new ATOM 0 HD23 LEU A 76 8.567 30.311 28.135 1.00 15.00 H new ATOM 607 N SER A 77 8.549 32.940 31.786 1.00 15.00 N ATOM 608 CA SER A 77 9.367 34.142 31.671 1.00 15.00 C ATOM 609 C SER A 77 10.051 34.467 32.993 1.00 15.00 C ATOM 610 O SER A 77 11.222 34.840 33.016 1.00 15.00 O ATOM 611 CB SER A 77 8.493 35.321 31.244 1.00 15.00 C ATOM 612 OG SER A 77 9.324 36.431 30.936 1.00 15.00 O ATOM 0 H SER A 77 7.558 33.080 31.590 1.00 15.00 H new ATOM 0 HA SER A 77 10.136 33.961 30.920 1.00 15.00 H new ATOM 0 HB2 SER A 77 7.893 35.049 30.376 1.00 15.00 H new ATOM 0 HB3 SER A 77 7.798 35.582 32.042 1.00 15.00 H new ATOM 0 HG SER A 77 9.930 36.604 31.686 1.00 15.00 H new ATOM 618 N LYS A 78 9.313 34.333 34.089 1.00 15.00 N ATOM 619 CA LYS A 78 9.856 34.650 35.405 1.00 15.00 C ATOM 620 C LYS A 78 11.036 33.742 35.743 1.00 15.00 C ATOM 621 O LYS A 78 12.075 34.206 36.213 1.00 15.00 O ATOM 622 CB LYS A 78 8.765 34.491 36.467 1.00 15.00 C ATOM 623 CG LYS A 78 9.290 34.971 37.822 1.00 15.00 C ATOM 624 CD LYS A 78 8.227 34.732 38.896 1.00 15.00 C ATOM 625 CE LYS A 78 8.686 35.353 40.217 1.00 15.00 C ATOM 626 NZ LYS A 78 8.727 36.837 40.078 1.00 15.00 N ATOM 0 H LYS A 78 8.346 34.010 34.094 1.00 15.00 H new ATOM 0 HA LYS A 78 10.208 35.682 35.391 1.00 15.00 H new ATOM 0 HB2 LYS A 78 7.882 35.065 36.184 1.00 15.00 H new ATOM 0 HB3 LYS A 78 8.459 33.447 36.534 1.00 15.00 H new ATOM 0 HG2 LYS A 78 10.206 34.439 38.078 1.00 15.00 H new ATOM 0 HG3 LYS A 78 9.540 36.031 37.772 1.00 15.00 H new ATOM 0 HD2 LYS A 78 7.278 35.170 38.587 1.00 15.00 H new ATOM 0 HD3 LYS A 78 8.058 33.663 39.024 1.00 15.00 H new ATOM 0 HE2 LYS A 78 8.006 35.071 41.020 1.00 15.00 H new ATOM 0 HE3 LYS A 78 9.672 34.974 40.486 1.00 15.00 H new ATOM 0 HZ1 LYS A 78 8.634 37.276 41.016 1.00 15.00 H new ATOM 0 HZ2 LYS A 78 9.632 37.121 39.651 1.00 15.00 H new ATOM 0 HZ3 LYS A 78 7.944 37.150 39.469 1.00 15.00 H new ATOM 640 N SER A 79 10.867 32.446 35.501 1.00 15.00 N ATOM 641 CA SER A 79 11.905 31.475 35.830 1.00 15.00 C ATOM 642 C SER A 79 13.186 31.750 35.047 1.00 15.00 C ATOM 643 O SER A 79 14.286 31.691 35.598 1.00 15.00 O ATOM 644 CB SER A 79 11.412 30.062 35.518 1.00 15.00 C ATOM 645 OG SER A 79 12.355 29.119 36.008 1.00 15.00 O ATOM 0 H SER A 79 10.028 32.046 35.081 1.00 15.00 H new ATOM 0 HA SER A 79 12.125 31.564 36.894 1.00 15.00 H new ATOM 0 HB2 SER A 79 10.439 29.894 35.979 1.00 15.00 H new ATOM 0 HB3 SER A 79 11.282 29.939 34.443 1.00 15.00 H new ATOM 0 HG SER A 79 12.042 28.211 35.812 1.00 15.00 H new ATOM 651 N GLN A 80 13.036 32.052 33.763 1.00 15.00 N ATOM 652 CA GLN A 80 14.192 32.307 32.902 1.00 15.00 C ATOM 653 C GLN A 80 14.771 33.720 33.065 1.00 15.00 C ATOM 654 O GLN A 80 15.767 34.048 32.419 1.00 15.00 O ATOM 655 CB GLN A 80 13.798 32.094 31.437 1.00 15.00 C ATOM 656 CG GLN A 80 13.249 30.676 31.229 1.00 15.00 C ATOM 657 CD GLN A 80 14.283 29.626 31.630 1.00 15.00 C ATOM 658 OE1 GLN A 80 15.437 29.698 31.208 1.00 15.00 O ATOM 659 NE2 GLN A 80 13.935 28.651 32.424 1.00 15.00 N ATOM 0 H GLN A 80 12.133 32.127 33.294 1.00 15.00 H new ATOM 0 HA GLN A 80 14.968 31.604 33.205 1.00 15.00 H new ATOM 0 HB2 GLN A 80 13.046 32.828 31.146 1.00 15.00 H new ATOM 0 HB3 GLN A 80 14.664 32.253 30.794 1.00 15.00 H new ATOM 0 HG2 GLN A 80 12.342 30.543 31.819 1.00 15.00 H new ATOM 0 HG3 GLN A 80 12.972 30.539 30.184 1.00 15.00 H new ATOM 0 HE21 GLN A 80 12.978 28.594 32.772 1.00 15.00 H new ATOM 0 HE22 GLN A 80 14.620 27.946 32.697 1.00 15.00 H new ATOM 668 N ASP A 81 14.169 34.555 33.912 1.00 15.00 N ATOM 669 CA ASP A 81 14.656 35.917 34.108 1.00 15.00 C ATOM 670 C ASP A 81 14.652 36.681 32.783 1.00 15.00 C ATOM 671 O ASP A 81 15.582 37.426 32.472 1.00 15.00 O ATOM 672 CB ASP A 81 16.072 35.882 34.692 1.00 15.00 C ATOM 673 CG ASP A 81 16.507 37.281 35.118 1.00 15.00 C ATOM 674 OD1 ASP A 81 15.654 38.055 35.522 1.00 15.00 O ATOM 675 OD2 ASP A 81 17.692 37.561 35.032 1.00 15.00 O ATOM 0 H ASP A 81 13.349 34.313 34.469 1.00 15.00 H new ATOM 0 HA ASP A 81 13.994 36.431 34.805 1.00 15.00 H new ATOM 0 HB2 ASP A 81 16.102 35.208 35.548 1.00 15.00 H new ATOM 0 HB3 ASP A 81 16.768 35.488 33.951 1.00 15.00 H new ATOM 680 N ILE A 82 13.586 36.496 32.011 1.00 15.00 N ATOM 681 CA ILE A 82 13.439 37.173 30.725 1.00 15.00 C ATOM 682 C ILE A 82 12.263 38.144 30.788 1.00 15.00 C ATOM 683 O ILE A 82 11.279 37.893 31.482 1.00 15.00 O ATOM 684 CB ILE A 82 13.208 36.146 29.609 1.00 15.00 C ATOM 685 CG1 ILE A 82 14.363 35.139 29.586 1.00 15.00 C ATOM 686 CG2 ILE A 82 13.141 36.857 28.254 1.00 15.00 C ATOM 687 CD1 ILE A 82 14.050 34.020 28.591 1.00 15.00 C ATOM 0 H ILE A 82 12.809 35.882 32.253 1.00 15.00 H new ATOM 0 HA ILE A 82 14.353 37.726 30.509 1.00 15.00 H new ATOM 0 HB ILE A 82 12.269 35.626 29.797 1.00 15.00 H new ATOM 0 HG12 ILE A 82 15.290 35.640 29.306 1.00 15.00 H new ATOM 0 HG13 ILE A 82 14.515 34.722 30.582 1.00 15.00 H new ATOM 0 HG21 ILE A 82 12.977 36.123 27.465 1.00 15.00 H new ATOM 0 HG22 ILE A 82 12.320 37.573 28.259 1.00 15.00 H new ATOM 0 HG23 ILE A 82 14.079 37.382 28.072 1.00 15.00 H new ATOM 0 HD11 ILE A 82 14.873 33.305 28.577 1.00 15.00 H new ATOM 0 HD12 ILE A 82 13.133 33.512 28.891 1.00 15.00 H new ATOM 0 HD13 ILE A 82 13.920 34.444 27.595 1.00 15.00 H new ATOM 699 N ASN A 83 12.375 39.257 30.070 1.00 15.00 N ATOM 700 CA ASN A 83 11.316 40.258 30.068 1.00 15.00 C ATOM 701 C ASN A 83 10.217 39.875 29.082 1.00 15.00 C ATOM 702 O ASN A 83 10.491 39.468 27.953 1.00 15.00 O ATOM 703 CB ASN A 83 11.890 41.625 29.690 1.00 15.00 C ATOM 704 CG ASN A 83 12.971 42.032 30.686 1.00 15.00 C ATOM 705 OD1 ASN A 83 14.047 42.477 30.288 1.00 15.00 O ATOM 706 ND2 ASN A 83 12.748 41.905 31.966 1.00 15.00 N ATOM 0 H ASN A 83 13.180 39.487 29.488 1.00 15.00 H new ATOM 0 HA ASN A 83 10.888 40.308 31.069 1.00 15.00 H new ATOM 0 HB2 ASN A 83 12.307 41.587 28.684 1.00 15.00 H new ATOM 0 HB3 ASN A 83 11.096 42.371 29.678 1.00 15.00 H new ATOM 0 HD21 ASN A 83 13.466 42.175 32.638 1.00 15.00 H new ATOM 0 HD22 ASN A 83 11.855 41.536 32.294 1.00 15.00 H new ATOM 713 N LEU A 84 8.966 40.019 29.510 1.00 15.00 N ATOM 714 CA LEU A 84 7.835 39.670 28.657 1.00 15.00 C ATOM 715 C LEU A 84 7.890 40.442 27.340 1.00 15.00 C ATOM 716 O LEU A 84 7.579 39.895 26.283 1.00 15.00 O ATOM 717 CB LEU A 84 6.518 39.974 29.377 1.00 15.00 C ATOM 718 CG LEU A 84 6.441 39.182 30.685 1.00 15.00 C ATOM 719 CD1 LEU A 84 5.172 39.577 31.446 1.00 15.00 C ATOM 720 CD2 LEU A 84 6.394 37.683 30.380 1.00 15.00 C ATOM 0 H LEU A 84 8.711 40.371 30.433 1.00 15.00 H new ATOM 0 HA LEU A 84 7.890 38.603 28.439 1.00 15.00 H new ATOM 0 HB2 LEU A 84 6.445 41.042 29.584 1.00 15.00 H new ATOM 0 HB3 LEU A 84 5.675 39.716 28.736 1.00 15.00 H new ATOM 0 HG LEU A 84 7.320 39.404 31.290 1.00 15.00 H new ATOM 0 HD11 LEU A 84 5.116 39.014 32.377 1.00 15.00 H new ATOM 0 HD12 LEU A 84 5.198 40.644 31.668 1.00 15.00 H new ATOM 0 HD13 LEU A 84 4.297 39.355 30.835 1.00 15.00 H new ATOM 0 HD21 LEU A 84 6.339 37.123 31.314 1.00 15.00 H new ATOM 0 HD22 LEU A 84 5.516 37.463 29.773 1.00 15.00 H new ATOM 0 HD23 LEU A 84 7.293 37.394 29.836 1.00 15.00 H new ATOM 732 N SER A 85 8.310 41.703 27.402 1.00 15.00 N ATOM 733 CA SER A 85 8.386 42.526 26.200 1.00 15.00 C ATOM 734 C SER A 85 9.327 41.895 25.180 1.00 15.00 C ATOM 735 O SER A 85 9.011 41.818 23.994 1.00 15.00 O ATOM 736 CB SER A 85 8.883 43.927 26.558 1.00 15.00 C ATOM 737 OG SER A 85 8.769 44.768 25.418 1.00 15.00 O ATOM 0 H SER A 85 8.599 42.172 28.260 1.00 15.00 H new ATOM 0 HA SER A 85 7.389 42.595 25.764 1.00 15.00 H new ATOM 0 HB2 SER A 85 8.299 44.333 27.384 1.00 15.00 H new ATOM 0 HB3 SER A 85 9.920 43.884 26.891 1.00 15.00 H new ATOM 0 HG SER A 85 9.085 45.668 25.643 1.00 15.00 H new ATOM 743 N THR A 86 10.474 41.418 25.653 1.00 15.00 N ATOM 744 CA THR A 86 11.458 40.812 24.761 1.00 15.00 C ATOM 745 C THR A 86 10.878 39.577 24.076 1.00 15.00 C ATOM 746 O THR A 86 11.010 39.402 22.863 1.00 15.00 O ATOM 747 CB THR A 86 12.706 40.419 25.555 1.00 15.00 C ATOM 748 OG1 THR A 86 13.184 41.550 26.270 1.00 15.00 O ATOM 749 CG2 THR A 86 13.792 39.924 24.598 1.00 15.00 C ATOM 0 H THR A 86 10.744 41.438 26.636 1.00 15.00 H new ATOM 0 HA THR A 86 11.726 41.542 23.997 1.00 15.00 H new ATOM 0 HB THR A 86 12.454 39.623 26.255 1.00 15.00 H new ATOM 0 HG1 THR A 86 13.982 41.301 26.781 1.00 15.00 H new ATOM 0 HG21 THR A 86 14.679 39.645 25.167 1.00 15.00 H new ATOM 0 HG22 THR A 86 13.425 39.057 24.049 1.00 15.00 H new ATOM 0 HG23 THR A 86 14.047 40.717 23.895 1.00 15.00 H new ATOM 757 N ILE A 87 10.201 38.737 24.852 1.00 15.00 N ATOM 758 CA ILE A 87 9.637 37.503 24.315 1.00 15.00 C ATOM 759 C ILE A 87 8.678 37.822 23.171 1.00 15.00 C ATOM 760 O ILE A 87 8.716 37.186 22.120 1.00 15.00 O ATOM 761 CB ILE A 87 8.903 36.734 25.422 1.00 15.00 C ATOM 762 CG1 ILE A 87 9.876 36.438 26.568 1.00 15.00 C ATOM 763 CG2 ILE A 87 8.366 35.408 24.874 1.00 15.00 C ATOM 764 CD1 ILE A 87 9.114 35.828 27.746 1.00 15.00 C ATOM 0 H ILE A 87 10.030 38.886 25.847 1.00 15.00 H new ATOM 0 HA ILE A 87 10.446 36.881 23.933 1.00 15.00 H new ATOM 0 HB ILE A 87 8.073 37.341 25.782 1.00 15.00 H new ATOM 0 HG12 ILE A 87 10.653 35.752 26.230 1.00 15.00 H new ATOM 0 HG13 ILE A 87 10.375 37.355 26.881 1.00 15.00 H new ATOM 0 HG21 ILE A 87 7.847 34.870 25.667 1.00 15.00 H new ATOM 0 HG22 ILE A 87 7.673 35.606 24.056 1.00 15.00 H new ATOM 0 HG23 ILE A 87 9.195 34.803 24.508 1.00 15.00 H new ATOM 0 HD11 ILE A 87 9.809 35.619 28.559 1.00 15.00 H new ATOM 0 HD12 ILE A 87 8.354 36.529 28.090 1.00 15.00 H new ATOM 0 HD13 ILE A 87 8.636 34.901 27.429 1.00 15.00 H new ATOM 776 N TRP A 88 7.830 38.822 23.380 1.00 15.00 N ATOM 777 CA TRP A 88 6.871 39.220 22.356 1.00 15.00 C ATOM 778 C TRP A 88 7.577 39.657 21.075 1.00 15.00 C ATOM 779 O TRP A 88 7.227 39.209 19.985 1.00 15.00 O ATOM 780 CB TRP A 88 5.996 40.363 22.874 1.00 15.00 C ATOM 781 CG TRP A 88 4.953 40.804 21.897 1.00 15.00 C ATOM 782 CD1 TRP A 88 3.975 40.016 21.396 1.00 15.00 C ATOM 783 CD2 TRP A 88 4.765 42.121 21.299 1.00 15.00 C ATOM 784 NE1 TRP A 88 3.199 40.762 20.528 1.00 15.00 N ATOM 785 CE2 TRP A 88 3.645 42.066 20.433 1.00 15.00 C ATOM 786 CE3 TRP A 88 5.449 43.343 21.420 1.00 15.00 C ATOM 787 CZ2 TRP A 88 3.221 43.185 19.715 1.00 15.00 C ATOM 788 CZ3 TRP A 88 5.025 44.470 20.700 1.00 15.00 C ATOM 789 CH2 TRP A 88 3.915 44.392 19.850 1.00 15.00 C ATOM 0 H TRP A 88 7.786 39.368 24.241 1.00 15.00 H new ATOM 0 HA TRP A 88 6.248 38.356 22.127 1.00 15.00 H new ATOM 0 HB2 TRP A 88 5.509 40.048 23.797 1.00 15.00 H new ATOM 0 HB3 TRP A 88 6.632 41.213 23.123 1.00 15.00 H new ATOM 0 HD1 TRP A 88 3.824 38.974 21.635 1.00 15.00 H new ATOM 0 HE1 TRP A 88 2.395 40.394 20.020 1.00 15.00 H new ATOM 0 HE3 TRP A 88 6.307 43.415 22.072 1.00 15.00 H new ATOM 0 HZ2 TRP A 88 2.364 43.120 19.061 1.00 15.00 H new ATOM 0 HZ3 TRP A 88 5.558 45.404 20.802 1.00 15.00 H new ATOM 0 HH2 TRP A 88 3.595 45.264 19.299 1.00 15.00 H new ATOM 800 N SER A 89 8.597 40.497 21.208 1.00 15.00 N ATOM 801 CA SER A 89 9.283 41.037 20.037 1.00 15.00 C ATOM 802 C SER A 89 9.786 39.922 19.123 1.00 15.00 C ATOM 803 O SER A 89 9.712 40.041 17.899 1.00 15.00 O ATOM 804 CB SER A 89 10.462 41.904 20.480 1.00 15.00 C ATOM 805 OG SER A 89 11.462 41.074 21.056 1.00 15.00 O ATOM 0 H SER A 89 8.965 40.817 22.104 1.00 15.00 H new ATOM 0 HA SER A 89 8.568 41.641 19.478 1.00 15.00 H new ATOM 0 HB2 SER A 89 10.870 42.447 19.628 1.00 15.00 H new ATOM 0 HB3 SER A 89 10.130 42.649 21.203 1.00 15.00 H new ATOM 0 HG SER A 89 11.141 40.720 21.912 1.00 15.00 H new ATOM 811 N LEU A 90 10.295 38.846 19.714 1.00 15.00 N ATOM 812 CA LEU A 90 10.802 37.727 18.923 1.00 15.00 C ATOM 813 C LEU A 90 9.667 36.908 18.307 1.00 15.00 C ATOM 814 O LEU A 90 9.627 36.703 17.093 1.00 15.00 O ATOM 815 CB LEU A 90 11.662 36.815 19.804 1.00 15.00 C ATOM 816 CG LEU A 90 12.815 37.615 20.417 1.00 15.00 C ATOM 817 CD1 LEU A 90 13.601 36.719 21.374 1.00 15.00 C ATOM 818 CD2 LEU A 90 13.751 38.106 19.308 1.00 15.00 C ATOM 0 H LEU A 90 10.368 38.724 20.724 1.00 15.00 H new ATOM 0 HA LEU A 90 11.402 38.142 18.113 1.00 15.00 H new ATOM 0 HB2 LEU A 90 11.051 36.378 20.594 1.00 15.00 H new ATOM 0 HB3 LEU A 90 12.056 35.989 19.211 1.00 15.00 H new ATOM 0 HG LEU A 90 12.411 38.471 20.958 1.00 15.00 H new ATOM 0 HD11 LEU A 90 14.422 37.286 21.812 1.00 15.00 H new ATOM 0 HD12 LEU A 90 12.941 36.366 22.166 1.00 15.00 H new ATOM 0 HD13 LEU A 90 14.001 35.865 20.827 1.00 15.00 H new ATOM 0 HD21 LEU A 90 14.570 38.675 19.748 1.00 15.00 H new ATOM 0 HD22 LEU A 90 14.154 37.250 18.766 1.00 15.00 H new ATOM 0 HD23 LEU A 90 13.196 38.743 18.619 1.00 15.00 H new ATOM 830 N ASN A 91 8.727 36.467 19.138 1.00 15.00 N ATOM 831 CA ASN A 91 7.658 35.579 18.672 1.00 15.00 C ATOM 832 C ASN A 91 6.449 36.326 18.093 1.00 15.00 C ATOM 833 O ASN A 91 5.428 35.706 17.798 1.00 15.00 O ATOM 834 CB ASN A 91 7.197 34.687 19.825 1.00 15.00 C ATOM 835 CG ASN A 91 8.337 33.774 20.264 1.00 15.00 C ATOM 836 OD1 ASN A 91 8.256 32.555 20.111 1.00 15.00 O ATOM 837 ND2 ASN A 91 9.406 34.290 20.806 1.00 15.00 N ATOM 0 H ASN A 91 8.680 36.705 20.129 1.00 15.00 H new ATOM 0 HA ASN A 91 8.078 34.985 17.861 1.00 15.00 H new ATOM 0 HB2 ASN A 91 6.869 35.302 20.663 1.00 15.00 H new ATOM 0 HB3 ASN A 91 6.340 34.089 19.514 1.00 15.00 H new ATOM 0 HD21 ASN A 91 10.171 33.684 21.101 1.00 15.00 H new ATOM 0 HD22 ASN A 91 9.476 35.299 20.934 1.00 15.00 H new ATOM 844 N LYS A 92 6.548 37.644 17.929 1.00 15.00 N ATOM 845 CA LYS A 92 5.462 38.420 17.337 1.00 15.00 C ATOM 846 C LYS A 92 4.989 37.830 16.005 1.00 15.00 C ATOM 847 O LYS A 92 3.829 38.004 15.629 1.00 15.00 O ATOM 848 CB LYS A 92 5.909 39.880 17.165 1.00 15.00 C ATOM 849 CG LYS A 92 7.006 39.998 16.099 1.00 15.00 C ATOM 850 CD LYS A 92 7.516 41.438 16.046 1.00 15.00 C ATOM 851 CE LYS A 92 8.370 41.634 14.793 1.00 15.00 C ATOM 852 NZ LYS A 92 9.669 40.922 14.960 1.00 15.00 N ATOM 0 H LYS A 92 7.365 38.194 18.196 1.00 15.00 H new ATOM 0 HA LYS A 92 4.609 38.381 18.014 1.00 15.00 H new ATOM 0 HB2 LYS A 92 5.054 40.495 16.882 1.00 15.00 H new ATOM 0 HB3 LYS A 92 6.278 40.265 18.116 1.00 15.00 H new ATOM 0 HG2 LYS A 92 7.827 39.319 16.330 1.00 15.00 H new ATOM 0 HG3 LYS A 92 6.614 39.704 15.125 1.00 15.00 H new ATOM 0 HD2 LYS A 92 6.676 42.132 16.038 1.00 15.00 H new ATOM 0 HD3 LYS A 92 8.103 41.659 16.937 1.00 15.00 H new ATOM 0 HE2 LYS A 92 7.844 41.252 13.918 1.00 15.00 H new ATOM 0 HE3 LYS A 92 8.545 42.696 14.622 1.00 15.00 H new ATOM 0 HZ1 LYS A 92 10.451 41.567 14.728 1.00 15.00 H new ATOM 0 HZ2 LYS A 92 9.765 40.602 15.945 1.00 15.00 H new ATOM 0 HZ3 LYS A 92 9.698 40.100 14.324 1.00 15.00 H new ATOM 866 N HIS A 93 5.883 37.155 15.284 1.00 15.00 N ATOM 867 CA HIS A 93 5.514 36.551 14.009 1.00 15.00 C ATOM 868 C HIS A 93 4.670 35.292 14.217 1.00 15.00 C ATOM 869 O HIS A 93 3.751 35.020 13.443 1.00 15.00 O ATOM 870 CB HIS A 93 6.769 36.236 13.186 1.00 15.00 C ATOM 871 CG HIS A 93 7.586 35.072 13.688 1.00 15.00 C ATOM 872 ND1 HIS A 93 8.539 35.200 14.687 1.00 15.00 N ATOM 873 CD2 HIS A 93 7.618 33.751 13.310 1.00 15.00 C ATOM 874 CE1 HIS A 93 9.099 33.992 14.871 1.00 15.00 C ATOM 875 NE2 HIS A 93 8.575 33.072 14.059 1.00 15.00 N ATOM 0 H HIS A 93 6.855 37.015 15.558 1.00 15.00 H new ATOM 0 HA HIS A 93 4.907 37.268 13.456 1.00 15.00 H new ATOM 0 HB2 HIS A 93 6.469 36.033 12.158 1.00 15.00 H new ATOM 0 HB3 HIS A 93 7.403 37.123 13.164 1.00 15.00 H new ATOM 0 HD1 HIS A 93 8.773 36.056 15.191 1.00 15.00 H new ATOM 0 HD2 HIS A 93 6.995 33.307 12.548 1.00 15.00 H new ATOM 0 HE1 HIS A 93 9.879 33.790 15.590 1.00 15.00 H new ATOM 883 N LEU A 94 4.982 34.525 15.260 1.00 15.00 N ATOM 884 CA LEU A 94 4.250 33.291 15.535 1.00 15.00 C ATOM 885 C LEU A 94 2.814 33.579 15.965 1.00 15.00 C ATOM 886 O LEU A 94 1.884 32.891 15.546 1.00 15.00 O ATOM 887 CB LEU A 94 4.952 32.499 16.642 1.00 15.00 C ATOM 888 CG LEU A 94 6.391 32.184 16.227 1.00 15.00 C ATOM 889 CD1 LEU A 94 7.112 31.490 17.384 1.00 15.00 C ATOM 890 CD2 LEU A 94 6.388 31.255 15.010 1.00 15.00 C ATOM 0 H LEU A 94 5.729 34.733 15.922 1.00 15.00 H new ATOM 0 HA LEU A 94 4.229 32.709 14.614 1.00 15.00 H new ATOM 0 HB2 LEU A 94 4.949 33.073 17.569 1.00 15.00 H new ATOM 0 HB3 LEU A 94 4.410 31.574 16.838 1.00 15.00 H new ATOM 0 HG LEU A 94 6.903 33.113 15.974 1.00 15.00 H new ATOM 0 HD11 LEU A 94 8.137 31.265 17.091 1.00 15.00 H new ATOM 0 HD12 LEU A 94 7.119 32.146 18.254 1.00 15.00 H new ATOM 0 HD13 LEU A 94 6.594 30.564 17.633 1.00 15.00 H new ATOM 0 HD21 LEU A 94 7.415 31.034 14.719 1.00 15.00 H new ATOM 0 HD22 LEU A 94 5.874 30.327 15.262 1.00 15.00 H new ATOM 0 HD23 LEU A 94 5.873 31.742 14.182 1.00 15.00 H new ATOM 902 N TYR A 95 2.638 34.598 16.802 1.00 15.00 N ATOM 903 CA TYR A 95 1.314 34.939 17.320 1.00 15.00 C ATOM 904 C TYR A 95 0.829 36.268 16.750 1.00 15.00 C ATOM 905 O TYR A 95 1.623 37.168 16.483 1.00 15.00 O ATOM 906 CB TYR A 95 1.365 35.023 18.846 1.00 15.00 C ATOM 907 CG TYR A 95 1.764 33.722 19.504 1.00 15.00 C ATOM 908 CD1 TYR A 95 0.812 32.716 19.699 1.00 15.00 C ATOM 909 CD2 TYR A 95 3.087 33.523 19.919 1.00 15.00 C ATOM 910 CE1 TYR A 95 1.180 31.511 20.308 1.00 15.00 C ATOM 911 CE2 TYR A 95 3.455 32.317 20.528 1.00 15.00 C ATOM 912 CZ TYR A 95 2.501 31.311 20.723 1.00 15.00 C ATOM 913 OH TYR A 95 2.860 30.122 21.327 1.00 15.00 O ATOM 0 H TYR A 95 3.391 35.200 17.135 1.00 15.00 H new ATOM 0 HA TYR A 95 0.615 34.159 17.016 1.00 15.00 H new ATOM 0 HB2 TYR A 95 2.071 35.801 19.137 1.00 15.00 H new ATOM 0 HB3 TYR A 95 0.387 35.326 19.219 1.00 15.00 H new ATOM 0 HD1 TYR A 95 -0.208 32.869 19.379 1.00 15.00 H new ATOM 0 HD2 TYR A 95 3.823 34.299 19.769 1.00 15.00 H new ATOM 0 HE1 TYR A 95 0.444 30.735 20.458 1.00 15.00 H new ATOM 0 HE2 TYR A 95 4.475 32.163 20.847 1.00 15.00 H new ATOM 0 HH TYR A 95 3.671 29.771 20.902 1.00 15.00 H new ATOM 923 N SER A 96 -0.483 36.383 16.574 1.00 15.00 N ATOM 924 CA SER A 96 -1.064 37.572 15.961 1.00 15.00 C ATOM 925 C SER A 96 -0.928 38.792 16.868 1.00 15.00 C ATOM 926 O SER A 96 -0.615 39.888 16.401 1.00 15.00 O ATOM 927 CB SER A 96 -2.543 37.329 15.658 1.00 15.00 C ATOM 928 OG SER A 96 -2.669 36.161 14.857 1.00 15.00 O ATOM 0 H SER A 96 -1.161 35.671 16.846 1.00 15.00 H new ATOM 0 HA SER A 96 -0.521 37.770 15.037 1.00 15.00 H new ATOM 0 HB2 SER A 96 -3.102 37.210 16.586 1.00 15.00 H new ATOM 0 HB3 SER A 96 -2.966 38.189 15.138 1.00 15.00 H new ATOM 0 HG SER A 96 -3.615 35.999 14.661 1.00 15.00 H new ATOM 934 N SER A 97 -1.163 38.601 18.163 1.00 15.00 N ATOM 935 CA SER A 97 -1.132 39.717 19.103 1.00 15.00 C ATOM 936 C SER A 97 -0.774 39.245 20.508 1.00 15.00 C ATOM 937 O SER A 97 -0.733 38.047 20.783 1.00 15.00 O ATOM 938 CB SER A 97 -2.494 40.411 19.129 1.00 15.00 C ATOM 939 OG SER A 97 -3.441 39.558 19.757 1.00 15.00 O ATOM 0 H SER A 97 -1.375 37.695 18.582 1.00 15.00 H new ATOM 0 HA SER A 97 -0.367 40.418 18.770 1.00 15.00 H new ATOM 0 HB2 SER A 97 -2.424 41.356 19.668 1.00 15.00 H new ATOM 0 HB3 SER A 97 -2.815 40.646 18.114 1.00 15.00 H new ATOM 0 HG SER A 97 -4.316 39.999 19.778 1.00 15.00 H new ATOM 945 N GLU A 98 -0.518 40.205 21.393 1.00 15.00 N ATOM 946 CA GLU A 98 -0.166 39.893 22.775 1.00 15.00 C ATOM 947 C GLU A 98 -1.295 39.148 23.485 1.00 15.00 C ATOM 948 O GLU A 98 -1.043 38.280 24.320 1.00 15.00 O ATOM 949 CB GLU A 98 0.139 41.186 23.535 1.00 15.00 C ATOM 950 CG GLU A 98 1.367 41.867 22.921 1.00 15.00 C ATOM 951 CD GLU A 98 1.766 43.128 23.696 1.00 15.00 C ATOM 952 OE1 GLU A 98 1.011 43.568 24.551 1.00 15.00 O ATOM 953 OE2 GLU A 98 2.837 43.642 23.418 1.00 15.00 O ATOM 0 H GLU A 98 -0.548 41.202 21.179 1.00 15.00 H new ATOM 0 HA GLU A 98 0.714 39.250 22.758 1.00 15.00 H new ATOM 0 HB2 GLU A 98 -0.720 41.856 23.492 1.00 15.00 H new ATOM 0 HB3 GLU A 98 0.320 40.967 24.587 1.00 15.00 H new ATOM 0 HG2 GLU A 98 2.203 41.168 22.910 1.00 15.00 H new ATOM 0 HG3 GLU A 98 1.157 42.129 21.884 1.00 15.00 H new ATOM 960 N SER A 99 -2.541 39.480 23.151 1.00 15.00 N ATOM 961 CA SER A 99 -3.686 38.863 23.813 1.00 15.00 C ATOM 962 C SER A 99 -3.631 37.343 23.689 1.00 15.00 C ATOM 963 O SER A 99 -3.859 36.621 24.661 1.00 15.00 O ATOM 964 CB SER A 99 -4.985 39.379 23.195 1.00 15.00 C ATOM 965 OG SER A 99 -6.085 38.920 23.969 1.00 15.00 O ATOM 0 H SER A 99 -2.781 40.165 22.434 1.00 15.00 H new ATOM 0 HA SER A 99 -3.653 39.128 24.870 1.00 15.00 H new ATOM 0 HB2 SER A 99 -4.978 40.468 23.161 1.00 15.00 H new ATOM 0 HB3 SER A 99 -5.077 39.029 22.167 1.00 15.00 H new ATOM 0 HG SER A 99 -6.921 39.250 23.577 1.00 15.00 H new ATOM 971 N GLU A 100 -3.288 36.859 22.500 1.00 15.00 N ATOM 972 CA GLU A 100 -3.210 35.420 22.271 1.00 15.00 C ATOM 973 C GLU A 100 -2.157 34.772 23.168 1.00 15.00 C ATOM 974 O GLU A 100 -2.340 33.643 23.626 1.00 15.00 O ATOM 975 CB GLU A 100 -2.894 35.142 20.800 1.00 15.00 C ATOM 976 CG GLU A 100 -4.072 35.610 19.937 1.00 15.00 C ATOM 977 CD GLU A 100 -3.856 35.290 18.456 1.00 15.00 C ATOM 978 OE1 GLU A 100 -2.736 34.985 18.070 1.00 15.00 O ATOM 979 OE2 GLU A 100 -4.820 35.384 17.714 1.00 15.00 O ATOM 0 H GLU A 100 -3.062 37.434 21.688 1.00 15.00 H new ATOM 0 HA GLU A 100 -4.177 34.983 22.520 1.00 15.00 H new ATOM 0 HB2 GLU A 100 -1.982 35.663 20.506 1.00 15.00 H new ATOM 0 HB3 GLU A 100 -2.716 34.077 20.648 1.00 15.00 H new ATOM 0 HG2 GLU A 100 -4.988 35.131 20.282 1.00 15.00 H new ATOM 0 HG3 GLU A 100 -4.208 36.684 20.060 1.00 15.00 H new ATOM 986 N MET A 101 -1.059 35.482 23.422 1.00 15.00 N ATOM 987 CA MET A 101 -0.012 34.955 24.291 1.00 15.00 C ATOM 988 C MET A 101 -0.524 34.792 25.720 1.00 15.00 C ATOM 989 O MET A 101 -0.341 33.745 26.338 1.00 15.00 O ATOM 990 CB MET A 101 1.194 35.896 24.287 1.00 15.00 C ATOM 991 CG MET A 101 1.803 35.944 22.884 1.00 15.00 C ATOM 992 SD MET A 101 3.355 36.874 22.932 1.00 15.00 S ATOM 993 CE MET A 101 4.346 35.625 23.787 1.00 15.00 C ATOM 0 H MET A 101 -0.874 36.411 23.044 1.00 15.00 H new ATOM 0 HA MET A 101 0.285 33.978 23.911 1.00 15.00 H new ATOM 0 HB2 MET A 101 0.889 36.896 24.596 1.00 15.00 H new ATOM 0 HB3 MET A 101 1.938 35.553 25.006 1.00 15.00 H new ATOM 0 HG2 MET A 101 1.984 34.933 22.519 1.00 15.00 H new ATOM 0 HG3 MET A 101 1.106 36.414 22.189 1.00 15.00 H new ATOM 0 HE1 MET A 101 5.327 35.554 23.316 1.00 15.00 H new ATOM 0 HE2 MET A 101 4.465 35.908 24.833 1.00 15.00 H new ATOM 0 HE3 MET A 101 3.844 34.659 23.728 1.00 15.00 H new ATOM 1003 N MET A 102 -1.216 35.810 26.222 1.00 15.00 N ATOM 1004 CA MET A 102 -1.736 35.770 27.587 1.00 15.00 C ATOM 1005 C MET A 102 -2.686 34.590 27.782 1.00 15.00 C ATOM 1006 O MET A 102 -2.692 33.956 28.837 1.00 15.00 O ATOM 1007 CB MET A 102 -2.472 37.074 27.899 1.00 15.00 C ATOM 1008 CG MET A 102 -1.486 38.243 27.848 1.00 15.00 C ATOM 1009 SD MET A 102 -2.303 39.747 28.436 1.00 15.00 S ATOM 1010 CE MET A 102 -2.359 39.305 30.190 1.00 15.00 C ATOM 0 H MET A 102 -1.429 36.666 25.710 1.00 15.00 H new ATOM 0 HA MET A 102 -0.893 35.649 28.267 1.00 15.00 H new ATOM 0 HB2 MET A 102 -3.276 37.231 27.180 1.00 15.00 H new ATOM 0 HB3 MET A 102 -2.933 37.016 28.885 1.00 15.00 H new ATOM 0 HG2 MET A 102 -0.614 38.025 28.465 1.00 15.00 H new ATOM 0 HG3 MET A 102 -1.127 38.386 26.829 1.00 15.00 H new ATOM 0 HE1 MET A 102 -2.102 40.176 30.793 1.00 15.00 H new ATOM 0 HE2 MET A 102 -3.363 38.969 30.449 1.00 15.00 H new ATOM 0 HE3 MET A 102 -1.646 38.504 30.386 1.00 15.00 H new ATOM 1020 N LYS A 103 -3.486 34.303 26.761 1.00 15.00 N ATOM 1021 CA LYS A 103 -4.451 33.205 26.831 1.00 15.00 C ATOM 1022 C LYS A 103 -3.885 31.885 26.290 1.00 15.00 C ATOM 1023 O LYS A 103 -4.647 30.962 26.003 1.00 15.00 O ATOM 1024 CB LYS A 103 -5.703 33.574 26.033 1.00 15.00 C ATOM 1025 CG LYS A 103 -6.320 34.852 26.607 1.00 15.00 C ATOM 1026 CD LYS A 103 -7.700 35.085 25.986 1.00 15.00 C ATOM 1027 CE LYS A 103 -7.556 35.348 24.485 1.00 15.00 C ATOM 1028 NZ LYS A 103 -8.874 35.754 23.923 1.00 15.00 N ATOM 0 H LYS A 103 -3.488 34.812 25.877 1.00 15.00 H new ATOM 0 HA LYS A 103 -4.691 33.055 27.884 1.00 15.00 H new ATOM 0 HB2 LYS A 103 -5.447 33.721 24.984 1.00 15.00 H new ATOM 0 HB3 LYS A 103 -6.426 32.759 26.074 1.00 15.00 H new ATOM 0 HG2 LYS A 103 -6.408 34.770 27.690 1.00 15.00 H new ATOM 0 HG3 LYS A 103 -5.671 35.704 26.403 1.00 15.00 H new ATOM 0 HD2 LYS A 103 -8.335 34.215 26.153 1.00 15.00 H new ATOM 0 HD3 LYS A 103 -8.187 35.933 26.468 1.00 15.00 H new ATOM 0 HE2 LYS A 103 -6.818 36.131 24.311 1.00 15.00 H new ATOM 0 HE3 LYS A 103 -7.194 34.452 23.981 1.00 15.00 H new ATOM 0 HZ1 LYS A 103 -8.776 35.933 22.903 1.00 15.00 H new ATOM 0 HZ2 LYS A 103 -9.566 34.993 24.076 1.00 15.00 H new ATOM 0 HZ3 LYS A 103 -9.201 36.620 24.396 1.00 15.00 H new ATOM 1042 N ALA A 104 -2.562 31.783 26.147 1.00 15.00 N ATOM 1043 CA ALA A 104 -1.944 30.574 25.613 1.00 15.00 C ATOM 1044 C ALA A 104 -2.383 29.338 26.394 1.00 15.00 C ATOM 1045 O ALA A 104 -2.635 29.404 27.597 1.00 15.00 O ATOM 1046 CB ALA A 104 -0.421 30.699 25.673 1.00 15.00 C ATOM 0 H ALA A 104 -1.903 32.521 26.393 1.00 15.00 H new ATOM 0 HA ALA A 104 -2.266 30.460 24.578 1.00 15.00 H new ATOM 0 HB1 ALA A 104 0.034 29.793 25.273 1.00 15.00 H new ATOM 0 HB2 ALA A 104 -0.103 31.557 25.081 1.00 15.00 H new ATOM 0 HB3 ALA A 104 -0.108 30.836 26.708 1.00 15.00 H new ATOM 1052 N ALA A 105 -2.470 28.212 25.692 1.00 15.00 N ATOM 1053 CA ALA A 105 -2.898 26.956 26.300 1.00 15.00 C ATOM 1054 C ALA A 105 -1.873 25.850 26.034 1.00 15.00 C ATOM 1055 O ALA A 105 -0.964 26.039 25.225 1.00 15.00 O ATOM 1056 CB ALA A 105 -4.257 26.540 25.733 1.00 15.00 C ATOM 0 H ALA A 105 -2.249 28.144 24.699 1.00 15.00 H new ATOM 0 HA ALA A 105 -2.981 27.106 27.376 1.00 15.00 H new ATOM 0 HB1 ALA A 105 -4.571 25.602 26.191 1.00 15.00 H new ATOM 0 HB2 ALA A 105 -4.994 27.314 25.949 1.00 15.00 H new ATOM 0 HB3 ALA A 105 -4.176 26.408 24.654 1.00 15.00 H new ATOM 1062 N PRO A 106 -1.989 24.708 26.682 1.00 15.00 N ATOM 1063 CA PRO A 106 -1.009 23.595 26.490 1.00 15.00 C ATOM 1064 C PRO A 106 -0.970 23.097 25.046 1.00 15.00 C ATOM 1065 O PRO A 106 -1.988 23.091 24.354 1.00 15.00 O ATOM 1066 CB PRO A 106 -1.483 22.486 27.438 1.00 15.00 C ATOM 1067 CG PRO A 106 -2.402 23.148 28.406 1.00 15.00 C ATOM 1068 CD PRO A 106 -3.029 24.321 27.659 1.00 15.00 C ATOM 0 HA PRO A 106 0.007 23.925 26.705 1.00 15.00 H new ATOM 0 HB2 PRO A 106 -1.995 21.695 26.890 1.00 15.00 H new ATOM 0 HB3 PRO A 106 -0.640 22.024 27.952 1.00 15.00 H new ATOM 0 HG2 PRO A 106 -3.167 22.454 28.754 1.00 15.00 H new ATOM 0 HG3 PRO A 106 -1.859 23.492 29.286 1.00 15.00 H new ATOM 0 HD2 PRO A 106 -3.956 24.031 27.164 1.00 15.00 H new ATOM 0 HD3 PRO A 106 -3.271 25.142 28.333 1.00 15.00 H new ATOM 1076 N GLY A 107 0.213 22.681 24.600 1.00 15.00 N ATOM 1077 CA GLY A 107 0.373 22.148 23.248 1.00 15.00 C ATOM 1078 C GLY A 107 1.039 23.135 22.282 1.00 15.00 C ATOM 1079 O GLY A 107 1.475 22.731 21.203 1.00 15.00 O ATOM 0 H GLY A 107 1.071 22.702 25.151 1.00 15.00 H new ATOM 0 HA2 GLY A 107 0.968 21.236 23.293 1.00 15.00 H new ATOM 0 HA3 GLY A 107 -0.606 21.871 22.856 1.00 15.00 H new ATOM 1083 N GLN A 108 1.122 24.414 22.651 1.00 15.00 N ATOM 1084 CA GLN A 108 1.730 25.410 21.773 1.00 15.00 C ATOM 1085 C GLN A 108 3.239 25.471 21.981 1.00 15.00 C ATOM 1086 O GLN A 108 3.745 25.102 23.040 1.00 15.00 O ATOM 1087 CB GLN A 108 1.103 26.785 22.009 1.00 15.00 C ATOM 1088 CG GLN A 108 -0.356 26.754 21.552 1.00 15.00 C ATOM 1089 CD GLN A 108 -0.988 28.132 21.713 1.00 15.00 C ATOM 1090 OE1 GLN A 108 -1.453 28.474 22.798 1.00 15.00 O ATOM 1091 NE2 GLN A 108 -1.030 28.945 20.693 1.00 15.00 N ATOM 0 H GLN A 108 0.780 24.780 23.540 1.00 15.00 H new ATOM 0 HA GLN A 108 1.541 25.113 20.741 1.00 15.00 H new ATOM 0 HB2 GLN A 108 1.161 27.049 23.065 1.00 15.00 H new ATOM 0 HB3 GLN A 108 1.653 27.549 21.459 1.00 15.00 H new ATOM 0 HG2 GLN A 108 -0.412 26.440 20.510 1.00 15.00 H new ATOM 0 HG3 GLN A 108 -0.912 26.020 22.136 1.00 15.00 H new ATOM 0 HE21 GLN A 108 -0.643 28.656 19.795 1.00 15.00 H new ATOM 0 HE22 GLN A 108 -1.450 29.869 20.794 1.00 15.00 H new ATOM 1100 N GLN A 109 3.954 25.930 20.957 1.00 15.00 N ATOM 1101 CA GLN A 109 5.412 25.982 21.009 1.00 15.00 C ATOM 1102 C GLN A 109 5.910 27.420 21.110 1.00 15.00 C ATOM 1103 O GLN A 109 5.268 28.354 20.626 1.00 15.00 O ATOM 1104 CB GLN A 109 5.997 25.331 19.754 1.00 15.00 C ATOM 1105 CG GLN A 109 5.628 23.846 19.726 1.00 15.00 C ATOM 1106 CD GLN A 109 6.125 23.192 18.438 1.00 15.00 C ATOM 1107 OE1 GLN A 109 6.422 23.878 17.459 1.00 15.00 O ATOM 1108 NE2 GLN A 109 6.234 21.893 18.381 1.00 15.00 N ATOM 0 H GLN A 109 3.549 26.270 20.085 1.00 15.00 H new ATOM 0 HA GLN A 109 5.738 25.440 21.897 1.00 15.00 H new ATOM 0 HB2 GLN A 109 5.615 25.828 18.862 1.00 15.00 H new ATOM 0 HB3 GLN A 109 7.081 25.447 19.743 1.00 15.00 H new ATOM 0 HG2 GLN A 109 6.064 23.341 20.588 1.00 15.00 H new ATOM 0 HG3 GLN A 109 4.547 23.733 19.804 1.00 15.00 H new ATOM 0 HE21 GLN A 109 5.988 21.325 19.191 1.00 15.00 H new ATOM 0 HE22 GLN A 109 6.565 21.446 17.526 1.00 15.00 H new ATOM 1117 N ILE A 110 7.039 27.585 21.791 1.00 15.00 N ATOM 1118 CA ILE A 110 7.696 28.882 21.907 1.00 15.00 C ATOM 1119 C ILE A 110 9.145 28.758 21.442 1.00 15.00 C ATOM 1120 O ILE A 110 9.836 27.807 21.807 1.00 15.00 O ATOM 1121 CB ILE A 110 7.647 29.359 23.366 1.00 15.00 C ATOM 1122 CG1 ILE A 110 6.188 29.459 23.819 1.00 15.00 C ATOM 1123 CG2 ILE A 110 8.313 30.731 23.498 1.00 15.00 C ATOM 1124 CD1 ILE A 110 6.134 29.762 25.317 1.00 15.00 C ATOM 0 H ILE A 110 7.522 26.828 22.275 1.00 15.00 H new ATOM 0 HA ILE A 110 7.180 29.611 21.282 1.00 15.00 H new ATOM 0 HB ILE A 110 8.181 28.643 23.990 1.00 15.00 H new ATOM 0 HG12 ILE A 110 5.677 30.243 23.261 1.00 15.00 H new ATOM 0 HG13 ILE A 110 5.667 28.525 23.608 1.00 15.00 H new ATOM 0 HG21 ILE A 110 8.271 31.057 24.537 1.00 15.00 H new ATOM 0 HG22 ILE A 110 9.354 30.662 23.181 1.00 15.00 H new ATOM 0 HG23 ILE A 110 7.789 31.452 22.870 1.00 15.00 H new ATOM 0 HD11 ILE A 110 5.094 29.833 25.637 1.00 15.00 H new ATOM 0 HD12 ILE A 110 6.630 28.963 25.868 1.00 15.00 H new ATOM 0 HD13 ILE A 110 6.640 30.707 25.516 1.00 15.00 H new ATOM 1136 N ILE A 111 9.608 29.717 20.644 1.00 15.00 N ATOM 1137 CA ILE A 111 10.985 29.691 20.153 1.00 15.00 C ATOM 1138 C ILE A 111 11.821 30.753 20.863 1.00 15.00 C ATOM 1139 O ILE A 111 11.391 31.895 21.019 1.00 15.00 O ATOM 1140 CB ILE A 111 11.024 29.932 18.637 1.00 15.00 C ATOM 1141 CG1 ILE A 111 10.135 28.907 17.926 1.00 15.00 C ATOM 1142 CG2 ILE A 111 12.462 29.779 18.129 1.00 15.00 C ATOM 1143 CD1 ILE A 111 10.040 29.252 16.439 1.00 15.00 C ATOM 0 H ILE A 111 9.057 30.514 20.326 1.00 15.00 H new ATOM 0 HA ILE A 111 11.402 28.706 20.364 1.00 15.00 H new ATOM 0 HB ILE A 111 10.662 30.939 18.429 1.00 15.00 H new ATOM 0 HG12 ILE A 111 10.546 27.905 18.051 1.00 15.00 H new ATOM 0 HG13 ILE A 111 9.141 28.902 18.372 1.00 15.00 H new ATOM 0 HG21 ILE A 111 12.488 29.950 17.053 1.00 15.00 H new ATOM 0 HG22 ILE A 111 13.103 30.506 18.628 1.00 15.00 H new ATOM 0 HG23 ILE A 111 12.819 28.772 18.345 1.00 15.00 H new ATOM 0 HD11 ILE A 111 9.407 28.521 15.936 1.00 15.00 H new ATOM 0 HD12 ILE A 111 9.609 30.246 16.323 1.00 15.00 H new ATOM 0 HD13 ILE A 111 11.036 29.235 15.997 1.00 15.00 H new ATOM 1155 N LEU A 112 13.013 30.357 21.297 1.00 15.00 N ATOM 1156 CA LEU A 112 13.949 31.281 21.927 1.00 15.00 C ATOM 1157 C LEU A 112 15.235 31.368 21.102 1.00 15.00 C ATOM 1158 O LEU A 112 16.126 30.534 21.273 1.00 15.00 O ATOM 1159 CB LEU A 112 14.284 30.795 23.339 1.00 15.00 C ATOM 1160 CG LEU A 112 13.026 30.843 24.208 1.00 15.00 C ATOM 1161 CD1 LEU A 112 13.181 29.876 25.384 1.00 15.00 C ATOM 1162 CD2 LEU A 112 12.829 32.263 24.741 1.00 15.00 C ATOM 0 H LEU A 112 13.354 29.399 21.223 1.00 15.00 H new ATOM 0 HA LEU A 112 13.489 32.268 21.980 1.00 15.00 H new ATOM 0 HB2 LEU A 112 14.674 29.778 23.302 1.00 15.00 H new ATOM 0 HB3 LEU A 112 15.064 31.420 23.775 1.00 15.00 H new ATOM 0 HG LEU A 112 12.161 30.554 23.611 1.00 15.00 H new ATOM 0 HD11 LEU A 112 12.285 29.910 26.003 1.00 15.00 H new ATOM 0 HD12 LEU A 112 13.323 28.863 25.006 1.00 15.00 H new ATOM 0 HD13 LEU A 112 14.046 30.165 25.981 1.00 15.00 H new ATOM 0 HD21 LEU A 112 11.933 32.298 25.360 1.00 15.00 H new ATOM 0 HD22 LEU A 112 13.694 32.551 25.338 1.00 15.00 H new ATOM 0 HD23 LEU A 112 12.719 32.954 23.905 1.00 15.00 H new ATOM 1174 N PRO A 113 15.333 32.294 20.172 1.00 15.00 N ATOM 1175 CA PRO A 113 16.578 32.476 19.374 1.00 15.00 C ATOM 1176 C PRO A 113 17.515 33.509 19.994 1.00 15.00 C ATOM 1177 O PRO A 113 17.325 34.713 19.820 1.00 15.00 O ATOM 1178 CB PRO A 113 16.042 32.963 18.030 1.00 15.00 C ATOM 1179 CG PRO A 113 14.823 33.758 18.365 1.00 15.00 C ATOM 1180 CD PRO A 113 14.299 33.242 19.710 1.00 15.00 C ATOM 0 HA PRO A 113 17.175 31.566 19.310 1.00 15.00 H new ATOM 0 HB2 PRO A 113 16.780 33.573 17.508 1.00 15.00 H new ATOM 0 HB3 PRO A 113 15.800 32.126 17.375 1.00 15.00 H new ATOM 0 HG2 PRO A 113 15.062 34.820 18.427 1.00 15.00 H new ATOM 0 HG3 PRO A 113 14.066 33.646 17.589 1.00 15.00 H new ATOM 0 HD2 PRO A 113 14.162 34.057 20.421 1.00 15.00 H new ATOM 0 HD3 PRO A 113 13.332 32.751 19.597 1.00 15.00 H new