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 163:sc= 0.199 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 155:sc= -0.212 (180deg=-1.08) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -83:sc= -0.568! USER MOD Single : A 77 SER OG : rot -57:sc= -0.0567 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.2) USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-1.3) 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 -76:sc= 1.09 USER MOD Single : A 91 ASN : amide:sc= -2.87! C(o=-2.9!,f=-7!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS : no HE2:sc= -2.24 K(o=-2.2,f=-4.6!) USER MOD Single : A 95 TYR OH : rot 126:sc= 0.149 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 140:sc= -0.187 (180deg=-1.07) USER MOD Single : A 102 MET CE :methyl -142:sc= -0.211 (180deg=-1.24) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0.298 K(o=0.3,f=-2.3!) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 385 N LEU A 63 16.517 27.296 20.454 1.00 15.00 N ATOM 386 CA LEU A 63 16.042 26.324 21.433 1.00 15.00 C ATOM 387 C LEU A 63 14.517 26.316 21.463 1.00 15.00 C ATOM 388 O LEU A 63 13.887 27.362 21.614 1.00 15.00 O ATOM 389 CB LEU A 63 16.582 26.674 22.821 1.00 15.00 C ATOM 390 CG LEU A 63 16.203 25.571 23.812 1.00 15.00 C ATOM 391 CD1 LEU A 63 17.024 24.316 23.517 1.00 15.00 C ATOM 392 CD2 LEU A 63 16.495 26.047 25.236 1.00 15.00 C ATOM 0 HA LEU A 63 16.399 25.334 21.148 1.00 15.00 H new ATOM 0 HB2 LEU A 63 17.666 26.786 22.783 1.00 15.00 H new ATOM 0 HB3 LEU A 63 16.174 27.629 23.151 1.00 15.00 H new ATOM 0 HG LEU A 63 15.142 25.342 23.714 1.00 15.00 H new ATOM 0 HD11 LEU A 63 16.754 23.530 24.223 1.00 15.00 H new ATOM 0 HD12 LEU A 63 16.819 23.977 22.501 1.00 15.00 H new ATOM 0 HD13 LEU A 63 18.085 24.544 23.616 1.00 15.00 H new ATOM 0 HD21 LEU A 63 16.226 25.263 25.944 1.00 15.00 H new ATOM 0 HD22 LEU A 63 17.557 26.275 25.333 1.00 15.00 H new ATOM 0 HD23 LEU A 63 15.911 26.943 25.447 1.00 15.00 H new ATOM 404 N PHE A 64 13.930 25.137 21.283 1.00 15.00 N ATOM 405 CA PHE A 64 12.477 25.008 21.309 1.00 15.00 C ATOM 406 C PHE A 64 11.993 24.566 22.686 1.00 15.00 C ATOM 407 O PHE A 64 12.519 23.614 23.262 1.00 15.00 O ATOM 408 CB PHE A 64 12.026 23.991 20.259 1.00 15.00 C ATOM 409 CG PHE A 64 12.333 24.417 18.842 1.00 15.00 C ATOM 410 CD1 PHE A 64 11.446 25.254 18.156 1.00 15.00 C ATOM 411 CD2 PHE A 64 13.504 23.974 18.216 1.00 15.00 C ATOM 412 CE1 PHE A 64 11.731 25.649 16.843 1.00 15.00 C ATOM 413 CE2 PHE A 64 13.788 24.368 16.904 1.00 15.00 C ATOM 414 CZ PHE A 64 12.902 25.205 16.217 1.00 15.00 C ATOM 0 H PHE A 64 14.432 24.265 21.119 1.00 15.00 H new ATOM 0 HA PHE A 64 12.045 25.983 21.085 1.00 15.00 H new ATOM 0 HB2 PHE A 64 12.512 23.036 20.457 1.00 15.00 H new ATOM 0 HB3 PHE A 64 10.953 23.829 20.358 1.00 15.00 H new ATOM 0 HD1 PHE A 64 10.542 25.595 18.639 1.00 15.00 H new ATOM 0 HD2 PHE A 64 14.188 23.328 18.746 1.00 15.00 H new ATOM 0 HE1 PHE A 64 11.048 26.296 16.313 1.00 15.00 H new ATOM 0 HE2 PHE A 64 14.692 24.026 16.421 1.00 15.00 H new ATOM 0 HZ PHE A 64 13.121 25.509 15.204 1.00 15.00 H new ATOM 424 N TYR A 65 10.987 25.262 23.212 1.00 15.00 N ATOM 425 CA TYR A 65 10.367 24.869 24.476 1.00 15.00 C ATOM 426 C TYR A 65 8.880 24.608 24.256 1.00 15.00 C ATOM 427 O TYR A 65 8.231 25.314 23.487 1.00 15.00 O ATOM 428 CB TYR A 65 10.543 25.972 25.521 1.00 15.00 C ATOM 429 CG TYR A 65 10.122 25.551 26.909 1.00 15.00 C ATOM 430 CD1 TYR A 65 11.036 24.905 27.748 1.00 15.00 C ATOM 431 CD2 TYR A 65 8.819 25.804 27.357 1.00 15.00 C ATOM 432 CE1 TYR A 65 10.649 24.511 29.035 1.00 15.00 C ATOM 433 CE2 TYR A 65 8.431 25.409 28.644 1.00 15.00 C ATOM 434 CZ TYR A 65 9.347 24.761 29.483 1.00 15.00 C ATOM 435 OH TYR A 65 8.968 24.369 30.752 1.00 15.00 O ATOM 0 H TYR A 65 10.585 26.097 22.785 1.00 15.00 H new ATOM 0 HA TYR A 65 10.850 23.961 24.837 1.00 15.00 H new ATOM 0 HB2 TYR A 65 11.589 26.279 25.543 1.00 15.00 H new ATOM 0 HB3 TYR A 65 9.961 26.844 25.221 1.00 15.00 H new ATOM 0 HD1 TYR A 65 12.041 24.710 27.403 1.00 15.00 H new ATOM 0 HD2 TYR A 65 8.113 26.304 26.710 1.00 15.00 H new ATOM 0 HE1 TYR A 65 11.356 24.014 29.682 1.00 15.00 H new ATOM 0 HE2 TYR A 65 7.426 25.604 28.989 1.00 15.00 H new ATOM 0 HH TYR A 65 8.150 24.842 31.010 1.00 15.00 H new ATOM 445 N THR A 66 8.343 23.594 24.928 1.00 15.00 N ATOM 446 CA THR A 66 6.941 23.224 24.748 1.00 15.00 C ATOM 447 C THR A 66 6.105 23.652 25.949 1.00 15.00 C ATOM 448 O THR A 66 6.554 23.578 27.093 1.00 15.00 O ATOM 449 CB THR A 66 6.822 21.710 24.559 1.00 15.00 C ATOM 450 OG1 THR A 66 7.687 21.297 23.510 1.00 15.00 O ATOM 451 CG2 THR A 66 5.378 21.349 24.204 1.00 15.00 C ATOM 0 H THR A 66 8.852 23.017 25.598 1.00 15.00 H new ATOM 0 HA THR A 66 6.566 23.736 23.862 1.00 15.00 H new ATOM 0 HB THR A 66 7.103 21.205 25.483 1.00 15.00 H new ATOM 0 HG1 THR A 66 7.614 20.327 23.388 1.00 15.00 H new ATOM 0 HG21 THR A 66 5.295 20.270 24.070 1.00 15.00 H new ATOM 0 HG22 THR A 66 4.715 21.667 25.009 1.00 15.00 H new ATOM 0 HG23 THR A 66 5.094 21.853 23.280 1.00 15.00 H new ATOM 459 N LEU A 67 4.883 24.099 25.674 1.00 15.00 N ATOM 460 CA LEU A 67 3.968 24.517 26.728 1.00 15.00 C ATOM 461 C LEU A 67 3.205 23.322 27.287 1.00 15.00 C ATOM 462 O LEU A 67 2.483 22.642 26.559 1.00 15.00 O ATOM 463 CB LEU A 67 2.970 25.533 26.163 1.00 15.00 C ATOM 464 CG LEU A 67 3.697 26.833 25.810 1.00 15.00 C ATOM 465 CD1 LEU A 67 2.748 27.752 25.035 1.00 15.00 C ATOM 466 CD2 LEU A 67 4.141 27.533 27.097 1.00 15.00 C ATOM 0 H LEU A 67 4.505 24.181 24.730 1.00 15.00 H new ATOM 0 HA LEU A 67 4.549 24.969 27.532 1.00 15.00 H new ATOM 0 HB2 LEU A 67 2.484 25.125 25.277 1.00 15.00 H new ATOM 0 HB3 LEU A 67 2.186 25.731 26.894 1.00 15.00 H new ATOM 0 HG LEU A 67 4.570 26.607 25.197 1.00 15.00 H new ATOM 0 HD11 LEU A 67 3.264 28.678 24.783 1.00 15.00 H new ATOM 0 HD12 LEU A 67 2.427 27.255 24.120 1.00 15.00 H new ATOM 0 HD13 LEU A 67 1.877 27.978 25.650 1.00 15.00 H new ATOM 0 HD21 LEU A 67 4.659 28.459 26.847 1.00 15.00 H new ATOM 0 HD22 LEU A 67 3.267 27.759 27.708 1.00 15.00 H new ATOM 0 HD23 LEU A 67 4.813 26.880 27.653 1.00 15.00 H new ATOM 478 N LYS A 68 3.349 23.092 28.590 1.00 15.00 N ATOM 479 CA LYS A 68 2.665 21.986 29.252 1.00 15.00 C ATOM 480 C LYS A 68 1.581 22.513 30.187 1.00 15.00 C ATOM 481 O LYS A 68 1.732 23.571 30.799 1.00 15.00 O ATOM 482 CB LYS A 68 3.671 21.157 30.054 1.00 15.00 C ATOM 483 CG LYS A 68 4.673 20.506 29.098 1.00 15.00 C ATOM 484 CD LYS A 68 5.766 19.796 29.902 1.00 15.00 C ATOM 485 CE LYS A 68 5.178 18.573 30.611 1.00 15.00 C ATOM 486 NZ LYS A 68 4.555 17.664 29.608 1.00 15.00 N ATOM 0 H LYS A 68 3.933 23.657 29.207 1.00 15.00 H new ATOM 0 HA LYS A 68 2.202 21.359 28.490 1.00 15.00 H new ATOM 0 HB2 LYS A 68 4.194 21.792 30.769 1.00 15.00 H new ATOM 0 HB3 LYS A 68 3.151 20.391 30.629 1.00 15.00 H new ATOM 0 HG2 LYS A 68 4.162 19.793 28.451 1.00 15.00 H new ATOM 0 HG3 LYS A 68 5.117 21.262 28.451 1.00 15.00 H new ATOM 0 HD2 LYS A 68 6.576 19.489 29.240 1.00 15.00 H new ATOM 0 HD3 LYS A 68 6.195 20.481 30.634 1.00 15.00 H new ATOM 0 HE2 LYS A 68 5.960 18.046 31.158 1.00 15.00 H new ATOM 0 HE3 LYS A 68 4.434 18.887 31.343 1.00 15.00 H new ATOM 0 HZ1 LYS A 68 4.541 16.693 29.981 1.00 15.00 H new ATOM 0 HZ2 LYS A 68 3.582 17.975 29.415 1.00 15.00 H new ATOM 0 HZ3 LYS A 68 5.107 17.689 28.727 1.00 15.00 H new ATOM 500 N THR A 69 0.497 21.757 30.322 1.00 15.00 N ATOM 501 CA THR A 69 -0.619 22.179 31.164 1.00 15.00 C ATOM 502 C THR A 69 -0.151 22.497 32.582 1.00 15.00 C ATOM 503 O THR A 69 0.625 21.747 33.174 1.00 15.00 O ATOM 504 CB THR A 69 -1.684 21.080 31.210 1.00 15.00 C ATOM 505 OG1 THR A 69 -2.745 21.488 32.062 1.00 15.00 O ATOM 506 CG2 THR A 69 -1.067 19.787 31.747 1.00 15.00 C ATOM 0 H THR A 69 0.366 20.855 29.863 1.00 15.00 H new ATOM 0 HA THR A 69 -1.044 23.084 30.731 1.00 15.00 H new ATOM 0 HB THR A 69 -2.068 20.905 30.205 1.00 15.00 H new ATOM 0 HG1 THR A 69 -3.429 20.787 32.092 1.00 15.00 H new ATOM 0 HG21 THR A 69 -1.827 19.007 31.779 1.00 15.00 H new ATOM 0 HG22 THR A 69 -0.253 19.474 31.094 1.00 15.00 H new ATOM 0 HG23 THR A 69 -0.681 19.958 32.752 1.00 15.00 H new ATOM 514 N GLY A 70 -0.629 23.617 33.117 1.00 15.00 N ATOM 515 CA GLY A 70 -0.262 24.036 34.466 1.00 15.00 C ATOM 516 C GLY A 70 0.708 25.221 34.467 1.00 15.00 C ATOM 517 O GLY A 70 0.757 25.977 35.437 1.00 15.00 O ATOM 0 H GLY A 70 -1.270 24.250 32.638 1.00 15.00 H new ATOM 0 HA2 GLY A 70 -1.163 24.307 35.017 1.00 15.00 H new ATOM 0 HA3 GLY A 70 0.193 23.197 34.993 1.00 15.00 H new ATOM 521 N GLU A 71 1.478 25.390 33.391 1.00 15.00 N ATOM 522 CA GLU A 71 2.437 26.489 33.312 1.00 15.00 C ATOM 523 C GLU A 71 1.952 27.549 32.327 1.00 15.00 C ATOM 524 O GLU A 71 1.322 27.232 31.319 1.00 15.00 O ATOM 525 CB GLU A 71 3.801 25.962 32.861 1.00 15.00 C ATOM 526 CG GLU A 71 4.851 27.068 33.026 1.00 15.00 C ATOM 527 CD GLU A 71 6.225 26.636 32.506 1.00 15.00 C ATOM 528 OE1 GLU A 71 6.345 25.551 31.956 1.00 15.00 O ATOM 529 OE2 GLU A 71 7.155 27.406 32.680 1.00 15.00 O ATOM 0 H GLU A 71 1.456 24.785 32.570 1.00 15.00 H new ATOM 0 HA GLU A 71 2.530 26.938 34.301 1.00 15.00 H new ATOM 0 HB2 GLU A 71 4.080 25.089 33.451 1.00 15.00 H new ATOM 0 HB3 GLU A 71 3.754 25.641 31.820 1.00 15.00 H new ATOM 0 HG2 GLU A 71 4.525 27.960 32.491 1.00 15.00 H new ATOM 0 HG3 GLU A 71 4.930 27.339 34.079 1.00 15.00 H new ATOM 536 N THR A 72 2.249 28.812 32.627 1.00 15.00 N ATOM 537 CA THR A 72 1.828 29.920 31.772 1.00 15.00 C ATOM 538 C THR A 72 3.039 30.607 31.147 1.00 15.00 C ATOM 539 O THR A 72 4.168 30.451 31.610 1.00 15.00 O ATOM 540 CB THR A 72 1.032 30.942 32.589 1.00 15.00 C ATOM 541 OG1 THR A 72 1.870 31.499 33.590 1.00 15.00 O ATOM 542 CG2 THR A 72 -0.171 30.259 33.244 1.00 15.00 C ATOM 0 H THR A 72 2.778 29.093 33.453 1.00 15.00 H new ATOM 0 HA THR A 72 1.199 29.518 30.978 1.00 15.00 H new ATOM 0 HB THR A 72 0.676 31.734 31.930 1.00 15.00 H new ATOM 0 HG1 THR A 72 1.888 30.905 34.369 1.00 15.00 H new ATOM 0 HG21 THR A 72 -0.734 30.991 33.824 1.00 15.00 H new ATOM 0 HG22 THR A 72 -0.814 29.836 32.472 1.00 15.00 H new ATOM 0 HG23 THR A 72 0.177 29.463 33.903 1.00 15.00 H new ATOM 550 N VAL A 73 2.795 31.386 30.097 1.00 15.00 N ATOM 551 CA VAL A 73 3.876 32.086 29.410 1.00 15.00 C ATOM 552 C VAL A 73 4.622 32.989 30.392 1.00 15.00 C ATOM 553 O VAL A 73 5.851 33.039 30.397 1.00 15.00 O ATOM 554 CB VAL A 73 3.310 32.916 28.251 1.00 15.00 C ATOM 555 CG1 VAL A 73 4.444 33.614 27.494 1.00 15.00 C ATOM 556 CG2 VAL A 73 2.557 31.997 27.285 1.00 15.00 C ATOM 0 H VAL A 73 1.867 31.548 29.706 1.00 15.00 H new ATOM 0 HA VAL A 73 4.575 31.352 29.008 1.00 15.00 H new ATOM 0 HB VAL A 73 2.633 33.668 28.656 1.00 15.00 H new ATOM 0 HG11 VAL A 73 4.028 34.199 26.674 1.00 15.00 H new ATOM 0 HG12 VAL A 73 4.983 34.274 28.174 1.00 15.00 H new ATOM 0 HG13 VAL A 73 5.129 32.866 27.095 1.00 15.00 H new ATOM 0 HG21 VAL A 73 2.155 32.586 26.461 1.00 15.00 H new ATOM 0 HG22 VAL A 73 3.240 31.244 26.892 1.00 15.00 H new ATOM 0 HG23 VAL A 73 1.740 31.506 27.813 1.00 15.00 H new ATOM 566 N ALA A 74 3.871 33.683 31.243 1.00 15.00 N ATOM 567 CA ALA A 74 4.482 34.566 32.232 1.00 15.00 C ATOM 568 C ALA A 74 5.406 33.777 33.157 1.00 15.00 C ATOM 569 O ALA A 74 6.484 34.251 33.517 1.00 15.00 O ATOM 570 CB ALA A 74 3.397 35.271 33.050 1.00 15.00 C ATOM 0 H ALA A 74 2.852 33.652 31.269 1.00 15.00 H new ATOM 0 HA ALA A 74 5.074 35.316 31.707 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.864 35.927 33.785 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.766 35.861 32.385 1.00 15.00 H new ATOM 0 HB3 ALA A 74 2.787 34.527 33.563 1.00 15.00 H new ATOM 576 N ASP A 75 4.999 32.563 33.522 1.00 15.00 N ATOM 577 CA ASP A 75 5.809 31.737 34.412 1.00 15.00 C ATOM 578 C ASP A 75 7.173 31.464 33.785 1.00 15.00 C ATOM 579 O ASP A 75 8.208 31.585 34.440 1.00 15.00 O ATOM 580 CB ASP A 75 5.096 30.412 34.691 1.00 15.00 C ATOM 581 CG ASP A 75 3.791 30.655 35.448 1.00 15.00 C ATOM 582 OD1 ASP A 75 3.725 31.613 36.201 1.00 15.00 O ATOM 583 OD2 ASP A 75 2.873 29.873 35.262 1.00 15.00 O ATOM 0 H ASP A 75 4.124 32.134 33.219 1.00 15.00 H new ATOM 0 HA ASP A 75 5.951 32.273 35.350 1.00 15.00 H new ATOM 0 HB2 ASP A 75 4.888 29.899 33.752 1.00 15.00 H new ATOM 0 HB3 ASP A 75 5.745 29.759 35.274 1.00 15.00 H new ATOM 588 N LEU A 76 7.169 31.125 32.500 1.00 15.00 N ATOM 589 CA LEU A 76 8.416 30.867 31.788 1.00 15.00 C ATOM 590 C LEU A 76 9.320 32.093 31.841 1.00 15.00 C ATOM 591 O LEU A 76 10.517 31.989 32.100 1.00 15.00 O ATOM 592 CB LEU A 76 8.123 30.518 30.326 1.00 15.00 C ATOM 593 CG LEU A 76 7.475 29.137 30.241 1.00 15.00 C ATOM 594 CD1 LEU A 76 6.730 29.003 28.912 1.00 15.00 C ATOM 595 CD2 LEU A 76 8.563 28.064 30.320 1.00 15.00 C ATOM 0 H LEU A 76 6.326 31.023 31.935 1.00 15.00 H new ATOM 0 HA LEU A 76 8.920 30.029 32.269 1.00 15.00 H new ATOM 0 HB2 LEU A 76 7.462 31.267 29.890 1.00 15.00 H new ATOM 0 HB3 LEU A 76 9.047 30.532 29.747 1.00 15.00 H new ATOM 0 HG LEU A 76 6.773 29.012 31.066 1.00 15.00 H new ATOM 0 HD11 LEU A 76 6.268 28.018 28.852 1.00 15.00 H new ATOM 0 HD12 LEU A 76 5.958 29.770 28.848 1.00 15.00 H new ATOM 0 HD13 LEU A 76 7.432 29.125 28.087 1.00 15.00 H new ATOM 0 HD21 LEU A 76 8.105 27.077 30.260 1.00 15.00 H new ATOM 0 HD22 LEU A 76 9.261 28.192 29.492 1.00 15.00 H new ATOM 0 HD23 LEU A 76 9.099 28.158 31.264 1.00 15.00 H new ATOM 607 N SER A 77 8.726 33.259 31.620 1.00 15.00 N ATOM 608 CA SER A 77 9.483 34.504 31.602 1.00 15.00 C ATOM 609 C SER A 77 10.185 34.739 32.936 1.00 15.00 C ATOM 610 O SER A 77 11.336 35.171 32.970 1.00 15.00 O ATOM 611 CB SER A 77 8.541 35.671 31.307 1.00 15.00 C ATOM 612 OG SER A 77 9.307 36.834 31.030 1.00 15.00 O ATOM 0 H SER A 77 7.726 33.369 31.451 1.00 15.00 H new ATOM 0 HA SER A 77 10.242 34.433 30.823 1.00 15.00 H new ATOM 0 HB2 SER A 77 7.902 35.432 30.457 1.00 15.00 H new ATOM 0 HB3 SER A 77 7.885 35.848 32.159 1.00 15.00 H new ATOM 0 HG SER A 77 9.902 37.022 31.786 1.00 15.00 H new ATOM 618 N LYS A 78 9.481 34.464 34.028 1.00 15.00 N ATOM 619 CA LYS A 78 10.034 34.686 35.359 1.00 15.00 C ATOM 620 C LYS A 78 11.261 33.810 35.598 1.00 15.00 C ATOM 621 O LYS A 78 12.288 34.283 36.085 1.00 15.00 O ATOM 622 CB LYS A 78 8.972 34.381 36.418 1.00 15.00 C ATOM 623 CG LYS A 78 9.498 34.762 37.804 1.00 15.00 C ATOM 624 CD LYS A 78 8.468 34.377 38.867 1.00 15.00 C ATOM 625 CE LYS A 78 8.922 34.896 40.231 1.00 15.00 C ATOM 626 NZ LYS A 78 7.751 34.959 41.153 1.00 15.00 N ATOM 0 H LYS A 78 8.532 34.089 34.019 1.00 15.00 H new ATOM 0 HA LYS A 78 10.338 35.730 35.431 1.00 15.00 H new ATOM 0 HB2 LYS A 78 8.059 34.935 36.201 1.00 15.00 H new ATOM 0 HB3 LYS A 78 8.716 33.322 36.395 1.00 15.00 H new ATOM 0 HG2 LYS A 78 10.443 34.254 37.998 1.00 15.00 H new ATOM 0 HG3 LYS A 78 9.697 35.833 37.847 1.00 15.00 H new ATOM 0 HD2 LYS A 78 7.494 34.796 38.613 1.00 15.00 H new ATOM 0 HD3 LYS A 78 8.351 33.294 38.899 1.00 15.00 H new ATOM 0 HE2 LYS A 78 9.689 34.241 40.644 1.00 15.00 H new ATOM 0 HE3 LYS A 78 9.369 35.884 40.126 1.00 15.00 H new ATOM 0 HZ1 LYS A 78 8.059 35.312 42.082 1.00 15.00 H new ATOM 0 HZ2 LYS A 78 7.033 35.600 40.759 1.00 15.00 H new ATOM 0 HZ3 LYS A 78 7.343 34.008 41.262 1.00 15.00 H new ATOM 640 N SER A 79 11.146 32.533 35.252 1.00 15.00 N ATOM 641 CA SER A 79 12.237 31.591 35.478 1.00 15.00 C ATOM 642 C SER A 79 13.485 32.001 34.704 1.00 15.00 C ATOM 643 O SER A 79 14.597 31.962 35.231 1.00 15.00 O ATOM 644 CB SER A 79 11.809 30.186 35.048 1.00 15.00 C ATOM 645 OG SER A 79 12.805 29.254 35.444 1.00 15.00 O ATOM 0 H SER A 79 10.317 32.128 34.818 1.00 15.00 H new ATOM 0 HA SER A 79 12.473 31.595 36.542 1.00 15.00 H new ATOM 0 HB2 SER A 79 10.852 29.929 35.502 1.00 15.00 H new ATOM 0 HB3 SER A 79 11.669 30.150 33.968 1.00 15.00 H new ATOM 0 HG SER A 79 12.535 28.352 35.172 1.00 15.00 H new ATOM 651 N GLN A 80 13.291 32.396 33.451 1.00 15.00 N ATOM 652 CA GLN A 80 14.409 32.805 32.600 1.00 15.00 C ATOM 653 C GLN A 80 14.932 34.213 32.918 1.00 15.00 C ATOM 654 O GLN A 80 15.953 34.625 32.365 1.00 15.00 O ATOM 655 CB GLN A 80 13.980 32.749 31.130 1.00 15.00 C ATOM 656 CG GLN A 80 13.504 31.338 30.767 1.00 15.00 C ATOM 657 CD GLN A 80 14.613 30.313 30.997 1.00 15.00 C ATOM 658 OE1 GLN A 80 15.740 30.505 30.541 1.00 15.00 O ATOM 659 NE2 GLN A 80 14.361 29.232 31.683 1.00 15.00 N ATOM 0 H GLN A 80 12.377 32.443 33.001 1.00 15.00 H new ATOM 0 HA GLN A 80 15.224 32.109 32.798 1.00 15.00 H new ATOM 0 HB2 GLN A 80 13.180 33.467 30.950 1.00 15.00 H new ATOM 0 HB3 GLN A 80 14.815 33.034 30.490 1.00 15.00 H new ATOM 0 HG2 GLN A 80 12.633 31.078 31.368 1.00 15.00 H new ATOM 0 HG3 GLN A 80 13.191 31.313 29.723 1.00 15.00 H new ATOM 0 HE21 GLN A 80 13.427 29.074 32.061 1.00 15.00 H new ATOM 0 HE22 GLN A 80 15.098 28.545 31.842 1.00 15.00 H new ATOM 668 N ASP A 81 14.252 34.952 33.795 1.00 15.00 N ATOM 669 CA ASP A 81 14.666 36.314 34.118 1.00 15.00 C ATOM 670 C ASP A 81 14.661 37.183 32.861 1.00 15.00 C ATOM 671 O ASP A 81 15.568 37.985 32.632 1.00 15.00 O ATOM 672 CB ASP A 81 16.064 36.298 34.745 1.00 15.00 C ATOM 673 CG ASP A 81 16.413 37.670 35.318 1.00 15.00 C ATOM 674 OD1 ASP A 81 15.506 38.374 35.732 1.00 15.00 O ATOM 675 OD2 ASP A 81 17.589 37.994 35.343 1.00 15.00 O ATOM 0 H ASP A 81 13.419 34.632 34.290 1.00 15.00 H new ATOM 0 HA ASP A 81 13.961 36.737 34.834 1.00 15.00 H new ATOM 0 HB2 ASP A 81 16.106 35.547 35.534 1.00 15.00 H new ATOM 0 HB3 ASP A 81 16.802 36.013 33.995 1.00 15.00 H new ATOM 680 N ILE A 82 13.620 37.020 32.049 1.00 15.00 N ATOM 681 CA ILE A 82 13.477 37.783 30.812 1.00 15.00 C ATOM 682 C ILE A 82 12.231 38.662 30.892 1.00 15.00 C ATOM 683 O ILE A 82 11.257 38.308 31.555 1.00 15.00 O ATOM 684 CB ILE A 82 13.367 36.831 29.614 1.00 15.00 C ATOM 685 CG1 ILE A 82 14.595 35.916 29.569 1.00 15.00 C ATOM 686 CG2 ILE A 82 13.297 37.636 28.312 1.00 15.00 C ATOM 687 CD1 ILE A 82 14.405 34.853 28.484 1.00 15.00 C ATOM 0 H ILE A 82 12.860 36.363 32.226 1.00 15.00 H new ATOM 0 HA ILE A 82 14.356 38.414 30.680 1.00 15.00 H new ATOM 0 HB ILE A 82 12.463 36.232 29.721 1.00 15.00 H new ATOM 0 HG12 ILE A 82 15.491 36.503 29.364 1.00 15.00 H new ATOM 0 HG13 ILE A 82 14.741 35.439 30.538 1.00 15.00 H new ATOM 0 HG21 ILE A 82 13.219 36.953 27.466 1.00 15.00 H new ATOM 0 HG22 ILE A 82 12.424 38.288 28.334 1.00 15.00 H new ATOM 0 HG23 ILE A 82 14.198 38.240 28.209 1.00 15.00 H new ATOM 0 HD11 ILE A 82 15.280 34.203 28.454 1.00 15.00 H new ATOM 0 HD12 ILE A 82 13.519 34.259 28.708 1.00 15.00 H new ATOM 0 HD13 ILE A 82 14.281 35.339 27.516 1.00 15.00 H new ATOM 699 N ASN A 83 12.274 39.814 30.231 1.00 15.00 N ATOM 700 CA ASN A 83 11.135 40.726 30.237 1.00 15.00 C ATOM 701 C ASN A 83 10.080 40.270 29.235 1.00 15.00 C ATOM 702 O ASN A 83 10.402 39.839 28.127 1.00 15.00 O ATOM 703 CB ASN A 83 11.598 42.142 29.888 1.00 15.00 C ATOM 704 CG ASN A 83 12.556 42.665 30.954 1.00 15.00 C ATOM 705 OD1 ASN A 83 12.546 42.194 32.091 1.00 15.00 O ATOM 706 ND2 ASN A 83 13.391 43.621 30.650 1.00 15.00 N ATOM 0 H ASN A 83 13.076 40.136 29.690 1.00 15.00 H new ATOM 0 HA ASN A 83 10.696 40.724 31.235 1.00 15.00 H new ATOM 0 HB2 ASN A 83 12.091 42.141 28.916 1.00 15.00 H new ATOM 0 HB3 ASN A 83 10.736 42.804 29.808 1.00 15.00 H new ATOM 0 HD21 ASN A 83 14.036 43.978 31.355 1.00 15.00 H new ATOM 0 HD22 ASN A 83 13.399 44.011 29.707 1.00 15.00 H new ATOM 713 N LEU A 84 8.812 40.378 29.623 1.00 15.00 N ATOM 714 CA LEU A 84 7.721 39.964 28.745 1.00 15.00 C ATOM 715 C LEU A 84 7.790 40.698 27.408 1.00 15.00 C ATOM 716 O LEU A 84 7.512 40.114 26.362 1.00 15.00 O ATOM 717 CB LEU A 84 6.370 40.236 29.413 1.00 15.00 C ATOM 718 CG LEU A 84 6.266 39.463 30.732 1.00 15.00 C ATOM 719 CD1 LEU A 84 4.952 39.825 31.431 1.00 15.00 C ATOM 720 CD2 LEU A 84 6.284 37.958 30.453 1.00 15.00 C ATOM 0 H LEU A 84 8.517 40.744 30.528 1.00 15.00 H new ATOM 0 HA LEU A 84 7.823 38.894 28.561 1.00 15.00 H new ATOM 0 HB2 LEU A 84 6.257 41.304 29.599 1.00 15.00 H new ATOM 0 HB3 LEU A 84 5.560 39.941 28.746 1.00 15.00 H new ATOM 0 HG LEU A 84 7.111 39.726 31.369 1.00 15.00 H new ATOM 0 HD11 LEU A 84 4.876 39.276 32.370 1.00 15.00 H new ATOM 0 HD12 LEU A 84 4.931 40.896 31.634 1.00 15.00 H new ATOM 0 HD13 LEU A 84 4.113 39.561 30.787 1.00 15.00 H new ATOM 0 HD21 LEU A 84 6.210 37.413 31.394 1.00 15.00 H new ATOM 0 HD22 LEU A 84 5.440 37.696 29.814 1.00 15.00 H new ATOM 0 HD23 LEU A 84 7.215 37.692 29.952 1.00 15.00 H new ATOM 732 N SER A 85 8.183 41.969 27.437 1.00 15.00 N ATOM 733 CA SER A 85 8.273 42.754 26.212 1.00 15.00 C ATOM 734 C SER A 85 9.247 42.102 25.234 1.00 15.00 C ATOM 735 O SER A 85 8.959 41.978 24.044 1.00 15.00 O ATOM 736 CB SER A 85 8.743 44.173 26.533 1.00 15.00 C ATOM 737 OG SER A 85 8.639 44.976 25.365 1.00 15.00 O ATOM 0 H SER A 85 8.441 42.472 28.286 1.00 15.00 H new ATOM 0 HA SER A 85 7.285 42.796 25.754 1.00 15.00 H new ATOM 0 HB2 SER A 85 8.138 44.596 27.335 1.00 15.00 H new ATOM 0 HB3 SER A 85 9.774 44.156 26.886 1.00 15.00 H new ATOM 0 HG SER A 85 8.938 45.887 25.567 1.00 15.00 H new ATOM 743 N THR A 86 10.390 41.659 25.748 1.00 15.00 N ATOM 744 CA THR A 86 11.403 41.037 24.901 1.00 15.00 C ATOM 745 C THR A 86 10.860 39.766 24.254 1.00 15.00 C ATOM 746 O THR A 86 11.026 39.540 23.053 1.00 15.00 O ATOM 747 CB THR A 86 12.641 40.700 25.733 1.00 15.00 C ATOM 748 OG1 THR A 86 13.083 41.865 26.415 1.00 15.00 O ATOM 749 CG2 THR A 86 13.755 40.192 24.816 1.00 15.00 C ATOM 0 H THR A 86 10.637 41.718 26.736 1.00 15.00 H new ATOM 0 HA THR A 86 11.673 41.741 24.114 1.00 15.00 H new ATOM 0 HB THR A 86 12.390 39.926 26.458 1.00 15.00 H new ATOM 0 HG1 THR A 86 13.875 41.650 26.950 1.00 15.00 H new ATOM 0 HG21 THR A 86 14.636 39.953 25.412 1.00 15.00 H new ATOM 0 HG22 THR A 86 13.416 39.297 24.293 1.00 15.00 H new ATOM 0 HG23 THR A 86 14.008 40.963 24.089 1.00 15.00 H new ATOM 757 N ILE A 87 10.172 38.950 25.047 1.00 15.00 N ATOM 758 CA ILE A 87 9.637 37.687 24.547 1.00 15.00 C ATOM 759 C ILE A 87 8.705 37.947 23.367 1.00 15.00 C ATOM 760 O ILE A 87 8.781 37.274 22.341 1.00 15.00 O ATOM 761 CB ILE A 87 8.881 36.957 25.666 1.00 15.00 C ATOM 762 CG1 ILE A 87 9.822 36.723 26.852 1.00 15.00 C ATOM 763 CG2 ILE A 87 8.375 35.602 25.160 1.00 15.00 C ATOM 764 CD1 ILE A 87 9.032 36.155 28.033 1.00 15.00 C ATOM 0 H ILE A 87 9.973 39.138 26.030 1.00 15.00 H new ATOM 0 HA ILE A 87 10.463 37.059 24.213 1.00 15.00 H new ATOM 0 HB ILE A 87 8.034 37.569 25.977 1.00 15.00 H new ATOM 0 HG12 ILE A 87 10.616 36.033 26.568 1.00 15.00 H new ATOM 0 HG13 ILE A 87 10.301 37.659 27.139 1.00 15.00 H new ATOM 0 HG21 ILE A 87 7.840 35.091 25.961 1.00 15.00 H new ATOM 0 HG22 ILE A 87 7.703 35.757 24.316 1.00 15.00 H new ATOM 0 HG23 ILE A 87 9.221 34.993 24.843 1.00 15.00 H new ATOM 0 HD11 ILE A 87 9.704 35.990 28.875 1.00 15.00 H new ATOM 0 HD12 ILE A 87 8.254 36.861 28.323 1.00 15.00 H new ATOM 0 HD13 ILE A 87 8.574 35.209 27.743 1.00 15.00 H new ATOM 776 N TRP A 88 7.839 38.942 23.516 1.00 15.00 N ATOM 777 CA TRP A 88 6.905 39.290 22.451 1.00 15.00 C ATOM 778 C TRP A 88 7.643 39.694 21.177 1.00 15.00 C ATOM 779 O TRP A 88 7.317 39.221 20.091 1.00 15.00 O ATOM 780 CB TRP A 88 6.001 40.440 22.899 1.00 15.00 C ATOM 781 CG TRP A 88 4.974 40.814 21.878 1.00 15.00 C ATOM 782 CD1 TRP A 88 3.762 40.228 21.744 1.00 15.00 C ATOM 783 CD2 TRP A 88 5.051 41.839 20.844 1.00 15.00 C ATOM 784 NE1 TRP A 88 3.088 40.830 20.697 1.00 15.00 N ATOM 785 CE2 TRP A 88 3.839 41.828 20.109 1.00 15.00 C ATOM 786 CE3 TRP A 88 6.039 42.768 20.477 1.00 15.00 C ATOM 787 CZ2 TRP A 88 3.621 42.709 19.047 1.00 15.00 C ATOM 788 CZ3 TRP A 88 5.823 43.653 19.411 1.00 15.00 C ATOM 789 CH2 TRP A 88 4.618 43.625 18.697 1.00 15.00 C ATOM 0 H TRP A 88 7.763 39.517 24.355 1.00 15.00 H new ATOM 0 HA TRP A 88 6.301 38.408 22.237 1.00 15.00 H new ATOM 0 HB2 TRP A 88 5.498 40.159 23.825 1.00 15.00 H new ATOM 0 HB3 TRP A 88 6.616 41.312 23.122 1.00 15.00 H new ATOM 0 HD1 TRP A 88 3.383 39.422 22.355 1.00 15.00 H new ATOM 0 HE1 TRP A 88 2.149 40.568 20.396 1.00 15.00 H new ATOM 0 HE3 TRP A 88 6.972 42.801 21.020 1.00 15.00 H new ATOM 0 HZ2 TRP A 88 2.690 42.683 18.501 1.00 15.00 H new ATOM 0 HZ3 TRP A 88 6.591 44.361 19.138 1.00 15.00 H new ATOM 0 HH2 TRP A 88 4.459 44.310 17.877 1.00 15.00 H new ATOM 800 N SER A 89 8.661 40.538 21.311 1.00 15.00 N ATOM 801 CA SER A 89 9.375 41.047 20.141 1.00 15.00 C ATOM 802 C SER A 89 9.889 39.907 19.264 1.00 15.00 C ATOM 803 O SER A 89 9.846 39.997 18.037 1.00 15.00 O ATOM 804 CB SER A 89 10.552 41.915 20.587 1.00 15.00 C ATOM 805 OG SER A 89 11.556 41.087 21.157 1.00 15.00 O ATOM 0 H SER A 89 9.009 40.882 22.206 1.00 15.00 H new ATOM 0 HA SER A 89 8.676 41.643 19.555 1.00 15.00 H new ATOM 0 HB2 SER A 89 10.957 42.464 19.737 1.00 15.00 H new ATOM 0 HB3 SER A 89 10.218 42.655 21.315 1.00 15.00 H new ATOM 0 HG SER A 89 11.284 40.817 22.059 1.00 15.00 H new ATOM 811 N LEU A 90 10.376 38.841 19.894 1.00 15.00 N ATOM 812 CA LEU A 90 10.875 37.693 19.141 1.00 15.00 C ATOM 813 C LEU A 90 9.735 36.887 18.518 1.00 15.00 C ATOM 814 O LEU A 90 9.714 36.656 17.308 1.00 15.00 O ATOM 815 CB LEU A 90 11.688 36.783 20.065 1.00 15.00 C ATOM 816 CG LEU A 90 12.865 37.560 20.658 1.00 15.00 C ATOM 817 CD1 LEU A 90 13.581 36.688 21.691 1.00 15.00 C ATOM 818 CD2 LEU A 90 13.848 37.929 19.544 1.00 15.00 C ATOM 0 H LEU A 90 10.436 38.748 20.908 1.00 15.00 H new ATOM 0 HA LEU A 90 11.504 38.073 18.336 1.00 15.00 H new ATOM 0 HB2 LEU A 90 11.053 36.402 20.865 1.00 15.00 H new ATOM 0 HB3 LEU A 90 12.054 35.920 19.509 1.00 15.00 H new ATOM 0 HG LEU A 90 12.495 38.468 21.135 1.00 15.00 H new ATOM 0 HD11 LEU A 90 14.420 37.240 22.114 1.00 15.00 H new ATOM 0 HD12 LEU A 90 12.885 36.420 22.486 1.00 15.00 H new ATOM 0 HD13 LEU A 90 13.949 35.782 21.210 1.00 15.00 H new ATOM 0 HD21 LEU A 90 14.686 38.483 19.967 1.00 15.00 H new ATOM 0 HD22 LEU A 90 14.216 37.020 19.068 1.00 15.00 H new ATOM 0 HD23 LEU A 90 13.342 38.547 18.802 1.00 15.00 H new ATOM 830 N ASN A 91 8.768 36.489 19.339 1.00 15.00 N ATOM 831 CA ASN A 91 7.691 35.612 18.873 1.00 15.00 C ATOM 832 C ASN A 91 6.492 36.368 18.287 1.00 15.00 C ATOM 833 O ASN A 91 5.458 35.760 18.009 1.00 15.00 O ATOM 834 CB ASN A 91 7.220 34.727 20.027 1.00 15.00 C ATOM 835 CG ASN A 91 8.349 33.796 20.455 1.00 15.00 C ATOM 836 OD1 ASN A 91 8.250 32.579 20.293 1.00 15.00 O ATOM 837 ND2 ASN A 91 9.428 34.295 20.992 1.00 15.00 N ATOM 0 H ASN A 91 8.705 36.755 20.322 1.00 15.00 H new ATOM 0 HA ASN A 91 8.106 35.012 18.064 1.00 15.00 H new ATOM 0 HB2 ASN A 91 6.907 35.346 20.868 1.00 15.00 H new ATOM 0 HB3 ASN A 91 6.352 34.144 19.720 1.00 15.00 H new ATOM 0 HD21 ASN A 91 10.188 33.678 21.277 1.00 15.00 H new ATOM 0 HD22 ASN A 91 9.511 35.303 21.127 1.00 15.00 H new ATOM 844 N LYS A 92 6.613 37.680 18.097 1.00 15.00 N ATOM 845 CA LYS A 92 5.538 38.463 17.499 1.00 15.00 C ATOM 846 C LYS A 92 5.062 37.865 16.170 1.00 15.00 C ATOM 847 O LYS A 92 3.902 38.033 15.796 1.00 15.00 O ATOM 848 CB LYS A 92 5.998 39.917 17.315 1.00 15.00 C ATOM 849 CG LYS A 92 7.101 40.014 16.254 1.00 15.00 C ATOM 850 CD LYS A 92 7.623 41.450 16.190 1.00 15.00 C ATOM 851 CE LYS A 92 8.487 41.624 14.939 1.00 15.00 C ATOM 852 NZ LYS A 92 8.673 43.077 14.662 1.00 15.00 N ATOM 0 H LYS A 92 7.441 38.220 18.348 1.00 15.00 H new ATOM 0 HA LYS A 92 4.685 38.440 18.177 1.00 15.00 H new ATOM 0 HB2 LYS A 92 5.150 40.536 17.021 1.00 15.00 H new ATOM 0 HB3 LYS A 92 6.365 40.309 18.264 1.00 15.00 H new ATOM 0 HG2 LYS A 92 7.915 39.331 16.497 1.00 15.00 H new ATOM 0 HG3 LYS A 92 6.712 39.714 15.281 1.00 15.00 H new ATOM 0 HD2 LYS A 92 6.789 42.151 16.169 1.00 15.00 H new ATOM 0 HD3 LYS A 92 8.207 41.676 17.082 1.00 15.00 H new ATOM 0 HE2 LYS A 92 9.455 41.143 15.083 1.00 15.00 H new ATOM 0 HE3 LYS A 92 8.013 41.138 14.086 1.00 15.00 H new ATOM 0 HZ1 LYS A 92 9.260 43.196 13.812 1.00 15.00 H new ATOM 0 HZ2 LYS A 92 7.746 43.522 14.508 1.00 15.00 H new ATOM 0 HZ3 LYS A 92 9.143 43.528 15.473 1.00 15.00 H new ATOM 866 N HIS A 93 5.958 37.188 15.452 1.00 15.00 N ATOM 867 CA HIS A 93 5.587 36.573 14.183 1.00 15.00 C ATOM 868 C HIS A 93 4.739 35.317 14.402 1.00 15.00 C ATOM 869 O HIS A 93 3.828 35.036 13.623 1.00 15.00 O ATOM 870 CB HIS A 93 6.844 36.248 13.363 1.00 15.00 C ATOM 871 CG HIS A 93 7.649 35.073 13.861 1.00 15.00 C ATOM 872 ND1 HIS A 93 8.594 35.182 14.871 1.00 15.00 N ATOM 873 CD2 HIS A 93 7.673 33.756 13.469 1.00 15.00 C ATOM 874 CE1 HIS A 93 9.142 33.967 15.047 1.00 15.00 C ATOM 875 NE2 HIS A 93 8.618 33.060 14.219 1.00 15.00 N ATOM 0 H HIS A 93 6.932 37.054 15.724 1.00 15.00 H new ATOM 0 HA HIS A 93 4.981 37.285 13.623 1.00 15.00 H new ATOM 0 HB2 HIS A 93 6.546 36.054 12.333 1.00 15.00 H new ATOM 0 HB3 HIS A 93 7.487 37.128 13.348 1.00 15.00 H new ATOM 0 HD1 HIS A 93 8.830 36.030 15.386 1.00 15.00 H new ATOM 0 HD2 HIS A 93 7.053 33.326 12.696 1.00 15.00 H new ATOM 0 HE1 HIS A 93 9.913 33.751 15.771 1.00 15.00 H new ATOM 883 N LEU A 94 5.038 34.567 15.460 1.00 15.00 N ATOM 884 CA LEU A 94 4.304 33.336 15.744 1.00 15.00 C ATOM 885 C LEU A 94 2.862 33.628 16.151 1.00 15.00 C ATOM 886 O LEU A 94 1.939 32.935 15.722 1.00 15.00 O ATOM 887 CB LEU A 94 4.994 32.561 16.870 1.00 15.00 C ATOM 888 CG LEU A 94 6.438 32.241 16.479 1.00 15.00 C ATOM 889 CD1 LEU A 94 7.145 31.562 17.655 1.00 15.00 C ATOM 890 CD2 LEU A 94 6.451 31.297 15.274 1.00 15.00 C ATOM 0 H LEU A 94 5.776 34.787 16.129 1.00 15.00 H new ATOM 0 HA LEU A 94 4.295 32.740 14.832 1.00 15.00 H new ATOM 0 HB2 LEU A 94 4.979 33.148 17.788 1.00 15.00 H new ATOM 0 HB3 LEU A 94 4.451 31.638 17.073 1.00 15.00 H new ATOM 0 HG LEU A 94 6.953 33.167 16.222 1.00 15.00 H new ATOM 0 HD11 LEU A 94 8.174 31.333 17.378 1.00 15.00 H new ATOM 0 HD12 LEU A 94 7.141 32.230 18.517 1.00 15.00 H new ATOM 0 HD13 LEU A 94 6.624 30.639 17.909 1.00 15.00 H new ATOM 0 HD21 LEU A 94 7.482 31.072 14.999 1.00 15.00 H new ATOM 0 HD22 LEU A 94 5.934 30.372 15.530 1.00 15.00 H new ATOM 0 HD23 LEU A 94 5.947 31.773 14.433 1.00 15.00 H new ATOM 902 N TYR A 95 2.671 34.653 16.977 1.00 15.00 N ATOM 903 CA TYR A 95 1.337 34.999 17.466 1.00 15.00 C ATOM 904 C TYR A 95 0.882 36.344 16.910 1.00 15.00 C ATOM 905 O TYR A 95 1.693 37.241 16.685 1.00 15.00 O ATOM 906 CB TYR A 95 1.347 35.047 18.995 1.00 15.00 C ATOM 907 CG TYR A 95 1.744 33.736 19.630 1.00 15.00 C ATOM 908 CD1 TYR A 95 0.802 32.709 19.761 1.00 15.00 C ATOM 909 CD2 TYR A 95 3.054 33.545 20.086 1.00 15.00 C ATOM 910 CE1 TYR A 95 1.168 31.492 20.348 1.00 15.00 C ATOM 911 CE2 TYR A 95 3.422 32.328 20.672 1.00 15.00 C ATOM 912 CZ TYR A 95 2.479 31.300 20.804 1.00 15.00 C ATOM 913 OH TYR A 95 2.837 30.101 21.385 1.00 15.00 O ATOM 0 H TYR A 95 3.418 35.257 17.321 1.00 15.00 H new ATOM 0 HA TYR A 95 0.637 34.235 17.127 1.00 15.00 H new ATOM 0 HB2 TYR A 95 2.036 35.825 19.323 1.00 15.00 H new ATOM 0 HB3 TYR A 95 0.356 35.329 19.349 1.00 15.00 H new ATOM 0 HD1 TYR A 95 -0.208 32.856 19.409 1.00 15.00 H new ATOM 0 HD2 TYR A 95 3.781 34.337 19.986 1.00 15.00 H new ATOM 0 HE1 TYR A 95 0.440 30.701 20.449 1.00 15.00 H new ATOM 0 HE2 TYR A 95 4.433 32.181 21.022 1.00 15.00 H new ATOM 0 HH TYR A 95 3.625 29.738 20.928 1.00 15.00 H new ATOM 923 N SER A 96 -0.423 36.477 16.702 1.00 15.00 N ATOM 924 CA SER A 96 -0.977 37.679 16.087 1.00 15.00 C ATOM 925 C SER A 96 -0.952 38.866 17.046 1.00 15.00 C ATOM 926 O SER A 96 -0.657 39.991 16.642 1.00 15.00 O ATOM 927 CB SER A 96 -2.416 37.416 15.643 1.00 15.00 C ATOM 928 OG SER A 96 -2.441 36.278 14.792 1.00 15.00 O ATOM 0 H SER A 96 -1.116 35.770 16.949 1.00 15.00 H new ATOM 0 HA SER A 96 -0.358 37.926 15.225 1.00 15.00 H new ATOM 0 HB2 SER A 96 -3.053 37.250 16.512 1.00 15.00 H new ATOM 0 HB3 SER A 96 -2.813 38.286 15.119 1.00 15.00 H new ATOM 0 HG SER A 96 -3.362 36.104 14.506 1.00 15.00 H new ATOM 934 N SER A 97 -1.263 38.615 18.315 1.00 15.00 N ATOM 935 CA SER A 97 -1.368 39.697 19.288 1.00 15.00 C ATOM 936 C SER A 97 -1.004 39.221 20.690 1.00 15.00 C ATOM 937 O SER A 97 -0.850 38.024 20.933 1.00 15.00 O ATOM 938 CB SER A 97 -2.793 40.252 19.293 1.00 15.00 C ATOM 939 OG SER A 97 -3.668 39.285 19.858 1.00 15.00 O ATOM 0 H SER A 97 -1.445 37.684 18.690 1.00 15.00 H new ATOM 0 HA SER A 97 -0.665 40.479 18.999 1.00 15.00 H new ATOM 0 HB2 SER A 97 -2.834 41.177 19.868 1.00 15.00 H new ATOM 0 HB3 SER A 97 -3.106 40.494 18.277 1.00 15.00 H new ATOM 0 HG SER A 97 -4.583 39.636 19.865 1.00 15.00 H new ATOM 945 N GLU A 98 -0.870 40.173 21.609 1.00 15.00 N ATOM 946 CA GLU A 98 -0.521 39.854 22.990 1.00 15.00 C ATOM 947 C GLU A 98 -1.614 39.023 23.661 1.00 15.00 C ATOM 948 O GLU A 98 -1.324 38.145 24.473 1.00 15.00 O ATOM 949 CB GLU A 98 -0.300 41.135 23.801 1.00 15.00 C ATOM 950 CG GLU A 98 0.934 41.886 23.285 1.00 15.00 C ATOM 951 CD GLU A 98 0.630 42.665 22.004 1.00 15.00 C ATOM 952 OE1 GLU A 98 -0.535 42.908 21.724 1.00 15.00 O ATOM 953 OE2 GLU A 98 1.575 43.014 21.317 1.00 15.00 O ATOM 0 H GLU A 98 -0.997 41.168 21.424 1.00 15.00 H new ATOM 0 HA GLU A 98 0.401 39.273 22.965 1.00 15.00 H new ATOM 0 HB2 GLU A 98 -1.180 41.775 23.730 1.00 15.00 H new ATOM 0 HB3 GLU A 98 -0.170 40.888 24.855 1.00 15.00 H new ATOM 0 HG2 GLU A 98 1.289 42.573 24.053 1.00 15.00 H new ATOM 0 HG3 GLU A 98 1.739 41.176 23.096 1.00 15.00 H new ATOM 960 N SER A 99 -2.872 39.294 23.319 1.00 15.00 N ATOM 961 CA SER A 99 -3.989 38.590 23.940 1.00 15.00 C ATOM 962 C SER A 99 -3.845 37.081 23.760 1.00 15.00 C ATOM 963 O SER A 99 -4.048 36.311 24.699 1.00 15.00 O ATOM 964 CB SER A 99 -5.308 39.055 23.321 1.00 15.00 C ATOM 965 OG SER A 99 -6.389 38.510 24.064 1.00 15.00 O ATOM 0 H SER A 99 -3.141 39.989 22.622 1.00 15.00 H new ATOM 0 HA SER A 99 -3.986 38.817 25.006 1.00 15.00 H new ATOM 0 HB2 SER A 99 -5.361 40.144 23.324 1.00 15.00 H new ATOM 0 HB3 SER A 99 -5.368 38.736 22.281 1.00 15.00 H new ATOM 0 HG SER A 99 -7.237 38.806 23.673 1.00 15.00 H new ATOM 971 N GLU A 100 -3.454 36.665 22.560 1.00 15.00 N ATOM 972 CA GLU A 100 -3.295 35.242 22.277 1.00 15.00 C ATOM 973 C GLU A 100 -2.227 34.615 23.172 1.00 15.00 C ATOM 974 O GLU A 100 -2.356 33.460 23.578 1.00 15.00 O ATOM 975 CB GLU A 100 -2.936 35.040 20.804 1.00 15.00 C ATOM 976 CG GLU A 100 -4.115 35.489 19.934 1.00 15.00 C ATOM 977 CD GLU A 100 -3.853 35.239 18.447 1.00 15.00 C ATOM 978 OE1 GLU A 100 -2.714 35.000 18.075 1.00 15.00 O ATOM 979 OE2 GLU A 100 -4.804 35.321 17.687 1.00 15.00 O ATOM 0 H GLU A 100 -3.244 37.283 21.776 1.00 15.00 H new ATOM 0 HA GLU A 100 -4.242 34.745 22.488 1.00 15.00 H new ATOM 0 HB2 GLU A 100 -2.044 35.613 20.553 1.00 15.00 H new ATOM 0 HB3 GLU A 100 -2.706 33.992 20.613 1.00 15.00 H new ATOM 0 HG2 GLU A 100 -5.015 34.956 20.239 1.00 15.00 H new ATOM 0 HG3 GLU A 100 -4.303 36.550 20.096 1.00 15.00 H new ATOM 986 N MET A 101 -1.174 35.371 23.477 1.00 15.00 N ATOM 987 CA MET A 101 -0.115 34.866 24.344 1.00 15.00 C ATOM 988 C MET A 101 -0.643 34.616 25.753 1.00 15.00 C ATOM 989 O MET A 101 -0.447 33.542 26.320 1.00 15.00 O ATOM 990 CB MET A 101 1.035 35.874 24.401 1.00 15.00 C ATOM 991 CG MET A 101 1.657 36.020 23.011 1.00 15.00 C ATOM 992 SD MET A 101 3.147 37.041 23.122 1.00 15.00 S ATOM 993 CE MET A 101 4.204 35.822 23.942 1.00 15.00 C ATOM 0 H MET A 101 -1.033 36.324 23.141 1.00 15.00 H new ATOM 0 HA MET A 101 0.245 33.923 23.933 1.00 15.00 H new ATOM 0 HB2 MET A 101 0.669 36.840 24.750 1.00 15.00 H new ATOM 0 HB3 MET A 101 1.789 35.542 25.115 1.00 15.00 H new ATOM 0 HG2 MET A 101 1.905 35.039 22.607 1.00 15.00 H new ATOM 0 HG3 MET A 101 0.941 36.475 22.326 1.00 15.00 H new ATOM 0 HE1 MET A 101 5.208 35.869 23.521 1.00 15.00 H new ATOM 0 HE2 MET A 101 4.248 36.038 25.009 1.00 15.00 H new ATOM 0 HE3 MET A 101 3.793 34.824 23.791 1.00 15.00 H new ATOM 1003 N MET A 102 -1.370 35.588 26.295 1.00 15.00 N ATOM 1004 CA MET A 102 -1.905 35.469 27.649 1.00 15.00 C ATOM 1005 C MET A 102 -2.829 34.257 27.773 1.00 15.00 C ATOM 1006 O MET A 102 -2.841 33.578 28.799 1.00 15.00 O ATOM 1007 CB MET A 102 -2.686 36.736 28.013 1.00 15.00 C ATOM 1008 CG MET A 102 -1.770 37.964 27.983 1.00 15.00 C ATOM 1009 SD MET A 102 -0.407 37.777 29.161 1.00 15.00 S ATOM 1010 CE MET A 102 -1.404 37.714 30.670 1.00 15.00 C ATOM 0 H MET A 102 -1.602 36.462 25.822 1.00 15.00 H new ATOM 0 HA MET A 102 -1.065 35.339 28.332 1.00 15.00 H new ATOM 0 HB2 MET A 102 -3.511 36.874 27.314 1.00 15.00 H new ATOM 0 HB3 MET A 102 -3.124 36.627 29.005 1.00 15.00 H new ATOM 0 HG2 MET A 102 -1.372 38.102 26.978 1.00 15.00 H new ATOM 0 HG3 MET A 102 -2.345 38.858 28.224 1.00 15.00 H new ATOM 0 HE1 MET A 102 -0.890 38.250 31.468 1.00 15.00 H new ATOM 0 HE2 MET A 102 -2.373 38.179 30.486 1.00 15.00 H new ATOM 0 HE3 MET A 102 -1.550 36.675 30.966 1.00 15.00 H new ATOM 1020 N LYS A 103 -3.600 33.992 26.724 1.00 15.00 N ATOM 1021 CA LYS A 103 -4.552 32.882 26.735 1.00 15.00 C ATOM 1022 C LYS A 103 -3.953 31.583 26.178 1.00 15.00 C ATOM 1023 O LYS A 103 -4.695 30.663 25.836 1.00 15.00 O ATOM 1024 CB LYS A 103 -5.780 33.257 25.903 1.00 15.00 C ATOM 1025 CG LYS A 103 -6.489 34.451 26.545 1.00 15.00 C ATOM 1026 CD LYS A 103 -7.773 34.758 25.773 1.00 15.00 C ATOM 1027 CE LYS A 103 -8.418 36.026 26.335 1.00 15.00 C ATOM 1028 NZ LYS A 103 -9.687 36.304 25.605 1.00 15.00 N ATOM 0 H LYS A 103 -3.586 34.528 25.856 1.00 15.00 H new ATOM 0 HA LYS A 103 -4.823 32.702 27.775 1.00 15.00 H new ATOM 0 HB2 LYS A 103 -5.480 33.504 24.884 1.00 15.00 H new ATOM 0 HB3 LYS A 103 -6.461 32.408 25.838 1.00 15.00 H new ATOM 0 HG2 LYS A 103 -6.722 34.232 27.587 1.00 15.00 H new ATOM 0 HG3 LYS A 103 -5.833 35.322 26.542 1.00 15.00 H new ATOM 0 HD2 LYS A 103 -7.550 34.890 24.714 1.00 15.00 H new ATOM 0 HD3 LYS A 103 -8.466 33.920 25.851 1.00 15.00 H new ATOM 0 HE2 LYS A 103 -8.618 35.904 27.400 1.00 15.00 H new ATOM 0 HE3 LYS A 103 -7.735 36.870 26.233 1.00 15.00 H new ATOM 0 HZ1 LYS A 103 -10.126 37.166 25.987 1.00 15.00 H new ATOM 0 HZ2 LYS A 103 -9.484 36.438 24.594 1.00 15.00 H new ATOM 0 HZ3 LYS A 103 -10.339 35.502 25.724 1.00 15.00 H new ATOM 1042 N ALA A 104 -2.624 31.497 26.085 1.00 15.00 N ATOM 1043 CA ALA A 104 -1.975 30.307 25.540 1.00 15.00 C ATOM 1044 C ALA A 104 -2.456 29.038 26.240 1.00 15.00 C ATOM 1045 O ALA A 104 -2.740 29.042 27.438 1.00 15.00 O ATOM 1046 CB ALA A 104 -0.457 30.428 25.698 1.00 15.00 C ATOM 0 H ALA A 104 -1.982 32.233 26.378 1.00 15.00 H new ATOM 0 HA ALA A 104 -2.237 30.236 24.484 1.00 15.00 H new ATOM 0 HB1 ALA A 104 0.023 29.538 25.290 1.00 15.00 H new ATOM 0 HB2 ALA A 104 -0.104 31.309 25.162 1.00 15.00 H new ATOM 0 HB3 ALA A 104 -0.208 30.523 26.755 1.00 15.00 H new ATOM 1052 N ALA A 105 -2.542 27.954 25.474 1.00 15.00 N ATOM 1053 CA ALA A 105 -3.016 26.677 25.998 1.00 15.00 C ATOM 1054 C ALA A 105 -1.973 25.579 25.770 1.00 15.00 C ATOM 1055 O ALA A 105 -1.016 25.791 25.023 1.00 15.00 O ATOM 1056 CB ALA A 105 -4.326 26.291 25.305 1.00 15.00 C ATOM 0 H ALA A 105 -2.289 27.935 24.486 1.00 15.00 H new ATOM 0 HA ALA A 105 -3.184 26.782 27.070 1.00 15.00 H new ATOM 0 HB1 ALA A 105 -4.678 25.337 25.698 1.00 15.00 H new ATOM 0 HB2 ALA A 105 -5.076 27.059 25.491 1.00 15.00 H new ATOM 0 HB3 ALA A 105 -4.157 26.201 24.232 1.00 15.00 H new ATOM 1062 N PRO A 106 -2.122 24.423 26.383 1.00 15.00 N ATOM 1063 CA PRO A 106 -1.126 23.317 26.223 1.00 15.00 C ATOM 1064 C PRO A 106 -1.017 22.838 24.777 1.00 15.00 C ATOM 1065 O PRO A 106 -2.003 22.831 24.039 1.00 15.00 O ATOM 1066 CB PRO A 106 -1.636 22.193 27.137 1.00 15.00 C ATOM 1067 CG PRO A 106 -2.627 22.828 28.052 1.00 15.00 C ATOM 1068 CD PRO A 106 -3.215 24.011 27.288 1.00 15.00 C ATOM 0 HA PRO A 106 -0.122 23.649 26.488 1.00 15.00 H new ATOM 0 HB2 PRO A 106 -2.097 21.395 26.555 1.00 15.00 H new ATOM 0 HB3 PRO A 106 -0.817 21.745 27.699 1.00 15.00 H new ATOM 0 HG2 PRO A 106 -3.407 22.120 28.333 1.00 15.00 H new ATOM 0 HG3 PRO A 106 -2.149 23.159 28.974 1.00 15.00 H new ATOM 0 HD2 PRO A 106 -4.108 23.725 26.733 1.00 15.00 H new ATOM 0 HD3 PRO A 106 -3.503 24.819 27.961 1.00 15.00 H new ATOM 1076 N GLY A 107 0.188 22.436 24.382 1.00 15.00 N ATOM 1077 CA GLY A 107 0.412 21.907 23.038 1.00 15.00 C ATOM 1078 C GLY A 107 1.083 22.909 22.092 1.00 15.00 C ATOM 1079 O GLY A 107 1.557 22.517 21.025 1.00 15.00 O ATOM 0 H GLY A 107 1.021 22.466 24.970 1.00 15.00 H new ATOM 0 HA2 GLY A 107 1.031 21.013 23.106 1.00 15.00 H new ATOM 0 HA3 GLY A 107 -0.544 21.601 22.612 1.00 15.00 H new ATOM 1083 N GLN A 108 1.132 24.188 22.467 1.00 15.00 N ATOM 1084 CA GLN A 108 1.744 25.200 21.609 1.00 15.00 C ATOM 1085 C GLN A 108 3.245 25.288 21.862 1.00 15.00 C ATOM 1086 O GLN A 108 3.732 24.870 22.910 1.00 15.00 O ATOM 1087 CB GLN A 108 1.087 26.562 21.834 1.00 15.00 C ATOM 1088 CG GLN A 108 -0.361 26.507 21.347 1.00 15.00 C ATOM 1089 CD GLN A 108 -1.019 27.875 21.496 1.00 15.00 C ATOM 1090 OE1 GLN A 108 -1.499 28.215 22.575 1.00 15.00 O ATOM 1091 NE2 GLN A 108 -1.066 28.682 20.471 1.00 15.00 N ATOM 0 H GLN A 108 0.760 24.543 23.348 1.00 15.00 H new ATOM 0 HA GLN A 108 1.587 24.905 20.571 1.00 15.00 H new ATOM 0 HB2 GLN A 108 1.118 26.824 22.892 1.00 15.00 H new ATOM 0 HB3 GLN A 108 1.635 27.337 21.297 1.00 15.00 H new ATOM 0 HG2 GLN A 108 -0.390 26.193 20.304 1.00 15.00 H new ATOM 0 HG3 GLN A 108 -0.917 25.764 21.919 1.00 15.00 H new ATOM 0 HE21 GLN A 108 -0.666 28.395 19.577 1.00 15.00 H new ATOM 0 HE22 GLN A 108 -1.502 29.599 20.564 1.00 15.00 H new ATOM 1100 N GLN A 109 3.978 25.823 20.888 1.00 15.00 N ATOM 1101 CA GLN A 109 5.433 25.908 20.986 1.00 15.00 C ATOM 1102 C GLN A 109 5.901 27.357 21.084 1.00 15.00 C ATOM 1103 O GLN A 109 5.228 28.279 20.620 1.00 15.00 O ATOM 1104 CB GLN A 109 6.071 25.253 19.758 1.00 15.00 C ATOM 1105 CG GLN A 109 5.734 23.760 19.739 1.00 15.00 C ATOM 1106 CD GLN A 109 6.286 23.101 18.477 1.00 15.00 C ATOM 1107 OE1 GLN A 109 6.605 23.780 17.500 1.00 15.00 O ATOM 1108 NE2 GLN A 109 6.421 21.803 18.440 1.00 15.00 N ATOM 0 H GLN A 109 3.590 26.203 20.025 1.00 15.00 H new ATOM 0 HA GLN A 109 5.740 25.386 21.892 1.00 15.00 H new ATOM 0 HB2 GLN A 109 5.706 25.730 18.848 1.00 15.00 H new ATOM 0 HB3 GLN A 109 7.152 25.392 19.780 1.00 15.00 H new ATOM 0 HG2 GLN A 109 6.152 23.276 20.621 1.00 15.00 H new ATOM 0 HG3 GLN A 109 4.653 23.625 19.784 1.00 15.00 H new ATOM 0 HE21 GLN A 109 6.157 21.240 19.248 1.00 15.00 H new ATOM 0 HE22 GLN A 109 6.790 21.352 17.603 1.00 15.00 H new ATOM 1117 N ILE A 110 7.040 27.543 21.745 1.00 15.00 N ATOM 1118 CA ILE A 110 7.681 28.849 21.841 1.00 15.00 C ATOM 1119 C ILE A 110 9.131 28.741 21.369 1.00 15.00 C ATOM 1120 O ILE A 110 9.818 27.772 21.687 1.00 15.00 O ATOM 1121 CB ILE A 110 7.625 29.348 23.291 1.00 15.00 C ATOM 1122 CG1 ILE A 110 6.162 29.454 23.728 1.00 15.00 C ATOM 1123 CG2 ILE A 110 8.291 30.723 23.406 1.00 15.00 C ATOM 1124 CD1 ILE A 110 6.084 29.739 25.230 1.00 15.00 C ATOM 0 H ILE A 110 7.542 26.797 22.226 1.00 15.00 H new ATOM 0 HA ILE A 110 7.155 29.562 21.206 1.00 15.00 H new ATOM 0 HB ILE A 110 8.157 28.644 23.932 1.00 15.00 H new ATOM 0 HG12 ILE A 110 5.664 30.249 23.172 1.00 15.00 H new ATOM 0 HG13 ILE A 110 5.637 28.527 23.498 1.00 15.00 H new ATOM 0 HG21 ILE A 110 8.244 31.065 24.440 1.00 15.00 H new ATOM 0 HG22 ILE A 110 9.333 30.650 23.095 1.00 15.00 H new ATOM 0 HG23 ILE A 110 7.770 31.434 22.765 1.00 15.00 H new ATOM 0 HD11 ILE A 110 5.039 29.813 25.533 1.00 15.00 H new ATOM 0 HD12 ILE A 110 6.564 28.929 25.779 1.00 15.00 H new ATOM 0 HD13 ILE A 110 6.592 30.678 25.449 1.00 15.00 H new ATOM 1136 N ILE A 111 9.594 29.741 20.623 1.00 15.00 N ATOM 1137 CA ILE A 111 10.967 29.740 20.122 1.00 15.00 C ATOM 1138 C ILE A 111 11.811 30.757 20.889 1.00 15.00 C ATOM 1139 O ILE A 111 11.398 31.900 21.085 1.00 15.00 O ATOM 1140 CB ILE A 111 10.991 30.075 18.624 1.00 15.00 C ATOM 1141 CG1 ILE A 111 10.096 29.095 17.858 1.00 15.00 C ATOM 1142 CG2 ILE A 111 12.423 29.960 18.091 1.00 15.00 C ATOM 1143 CD1 ILE A 111 9.988 29.531 16.396 1.00 15.00 C ATOM 0 H ILE A 111 9.044 30.557 20.353 1.00 15.00 H new ATOM 0 HA ILE A 111 11.385 28.744 20.270 1.00 15.00 H new ATOM 0 HB ILE A 111 10.626 31.092 18.484 1.00 15.00 H new ATOM 0 HG12 ILE A 111 10.508 28.088 17.918 1.00 15.00 H new ATOM 0 HG13 ILE A 111 9.105 29.061 18.312 1.00 15.00 H new ATOM 0 HG21 ILE A 111 12.436 30.199 17.027 1.00 15.00 H new ATOM 0 HG22 ILE A 111 13.068 30.657 18.627 1.00 15.00 H new ATOM 0 HG23 ILE A 111 12.786 28.943 18.239 1.00 15.00 H new ATOM 0 HD11 ILE A 111 9.351 28.832 15.854 1.00 15.00 H new ATOM 0 HD12 ILE A 111 9.556 30.530 16.345 1.00 15.00 H new ATOM 0 HD13 ILE A 111 10.980 29.542 15.945 1.00 15.00 H new ATOM 1155 N LEU A 112 12.987 30.323 21.329 1.00 15.00 N ATOM 1156 CA LEU A 112 13.917 31.199 22.035 1.00 15.00 C ATOM 1157 C LEU A 112 15.250 31.276 21.284 1.00 15.00 C ATOM 1158 O LEU A 112 16.048 30.341 21.380 1.00 15.00 O ATOM 1159 CB LEU A 112 14.170 30.644 23.439 1.00 15.00 C ATOM 1160 CG LEU A 112 12.863 30.649 24.234 1.00 15.00 C ATOM 1161 CD1 LEU A 112 12.972 29.665 25.400 1.00 15.00 C ATOM 1162 CD2 LEU A 112 12.604 32.056 24.777 1.00 15.00 C ATOM 0 H LEU A 112 13.320 29.367 21.209 1.00 15.00 H new ATOM 0 HA LEU A 112 13.482 32.196 22.097 1.00 15.00 H new ATOM 0 HB2 LEU A 112 14.565 29.630 23.375 1.00 15.00 H new ATOM 0 HB3 LEU A 112 14.921 31.247 23.950 1.00 15.00 H new ATOM 0 HG LEU A 112 12.040 30.352 23.584 1.00 15.00 H new ATOM 0 HD11 LEU A 112 12.041 29.668 25.967 1.00 15.00 H new ATOM 0 HD12 LEU A 112 13.159 28.663 25.014 1.00 15.00 H new ATOM 0 HD13 LEU A 112 13.794 29.962 26.051 1.00 15.00 H new ATOM 0 HD21 LEU A 112 11.673 32.062 25.344 1.00 15.00 H new ATOM 0 HD22 LEU A 112 13.427 32.352 25.428 1.00 15.00 H new ATOM 0 HD23 LEU A 112 12.527 32.758 23.947 1.00 15.00 H new ATOM 1174 N PRO A 113 15.497 32.308 20.500 1.00 15.00 N ATOM 1175 CA PRO A 113 16.829 32.476 19.840 1.00 15.00 C ATOM 1176 C PRO A 113 17.923 32.773 20.861 1.00 15.00 C ATOM 1177 O PRO A 113 17.895 33.806 21.531 1.00 15.00 O ATOM 1178 CB PRO A 113 16.637 33.653 18.879 1.00 15.00 C ATOM 1179 CG PRO A 113 15.474 34.415 19.413 1.00 15.00 C ATOM 1180 CD PRO A 113 14.576 33.394 20.110 1.00 15.00 C ATOM 0 HA PRO A 113 17.147 31.569 19.325 1.00 15.00 H new ATOM 0 HB2 PRO A 113 17.530 34.277 18.839 1.00 15.00 H new ATOM 0 HB3 PRO A 113 16.446 33.304 17.864 1.00 15.00 H new ATOM 0 HG2 PRO A 113 15.801 35.185 20.111 1.00 15.00 H new ATOM 0 HG3 PRO A 113 14.938 34.920 18.609 1.00 15.00 H new ATOM 0 HD2 PRO A 113 14.080 33.827 20.979 1.00 15.00 H new ATOM 0 HD3 PRO A 113 13.793 33.032 19.444 1.00 15.00 H new