USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 937 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 123 THR OG1 : rot 180:sc= 0.0466 USER MOD Set 1.2: A 141 THR OG1 : rot -75:sc= 0.0431 USER MOD Set 2.1: A 80 SER OG : rot 76:sc= 1.44 USER MOD Set 2.2: A 101 THR OG1 : rot -9:sc= 1.83 USER MOD Set 3.1: A 70 THR OG1 : rot -160:sc= 0.732 USER MOD Set 3.2: A 115 LYS NZ :NH3+ -158:sc= 0.839 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.23 K(o=-0.23,f=-0.88) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -37:sc= 0.47 USER MOD Single : A 45 THR OG1 : rot -168:sc= 1.58 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -174:sc= 0 (180deg=-0.0702) USER MOD Single : A 50 THR OG1 : rot 8:sc= 1.17 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.658 K(o=-0.66,f=-1.4) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 62:sc= 1.2 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 23:sc= 0.766 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 70:sc= 1.19 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0466 USER MOD Single : A 79 HIS : no HE2:sc= 0.667 K(o=0.67,f=-2!) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 172:sc= -0.0032 (180deg=-0.137) USER MOD Single : A 87 LYS NZ :NH3+ -161:sc= 0.637 (180deg=0.439) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -109:sc= -0.0671 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0.35 X(o=0.35,f=-0.0051) USER MOD Single : A 108 HIS : no HE2:sc= -0.56 K(o=-0.56,f=-1.5) USER MOD Single : A 110 MET CE :methyl 165:sc= -0.0341 (180deg=-0.35) USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -1.25 K(o=-1.2,f=0) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot -87:sc= 1.26 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0.0639 USER MOD Single : A 137 ASN : amide:sc= -0.105 K(o=-0.1,f=-2.6!) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00791) USER MOD Single : A 145 ASN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD ----------------------------------------------------------------- ATOM 369 N VAL A 28 -16.151 9.112 -4.941 1.00 3.55 N ATOM 370 CA VAL A 28 -15.453 7.835 -5.159 1.00 2.85 C ATOM 371 C VAL A 28 -14.685 7.447 -3.887 1.00 2.81 C ATOM 372 O VAL A 28 -14.179 8.330 -3.191 1.00 3.32 O ATOM 373 CB VAL A 28 -14.544 7.903 -6.414 1.00 2.55 C ATOM 374 CG1 VAL A 28 -13.284 8.762 -6.216 1.00 3.11 C ATOM 375 CG2 VAL A 28 -14.160 6.500 -6.902 1.00 2.55 C ATOM 0 HA VAL A 28 -16.182 7.050 -5.358 1.00 2.85 H new ATOM 0 HB VAL A 28 -15.142 8.397 -7.180 1.00 2.55 H new ATOM 0 HG11 VAL A 28 -12.697 8.764 -7.134 1.00 3.11 H new ATOM 0 HG12 VAL A 28 -13.575 9.783 -5.970 1.00 3.11 H new ATOM 0 HG13 VAL A 28 -12.686 8.349 -5.404 1.00 3.11 H new ATOM 0 HG21 VAL A 28 -13.523 6.583 -7.783 1.00 2.55 H new ATOM 0 HG22 VAL A 28 -13.622 5.975 -6.113 1.00 2.55 H new ATOM 0 HG23 VAL A 28 -15.062 5.944 -7.158 1.00 2.55 H new ATOM 385 N THR A 29 -14.618 6.144 -3.580 1.00 2.50 N ATOM 386 CA THR A 29 -13.928 5.590 -2.404 1.00 2.52 C ATOM 387 C THR A 29 -12.502 5.203 -2.787 1.00 2.07 C ATOM 388 O THR A 29 -12.151 5.059 -3.953 1.00 2.47 O ATOM 389 CB THR A 29 -14.746 4.422 -1.824 1.00 3.04 C ATOM 390 OG1 THR A 29 -15.933 4.948 -1.290 1.00 3.67 O ATOM 391 CG2 THR A 29 -14.100 3.668 -0.657 1.00 3.67 C ATOM 0 H THR A 29 -15.054 5.426 -4.158 1.00 2.50 H new ATOM 0 HA THR A 29 -13.851 6.337 -1.614 1.00 2.52 H new ATOM 0 HB THR A 29 -14.863 3.726 -2.655 1.00 3.04 H new ATOM 0 HG1 THR A 29 -16.473 4.221 -0.915 1.00 3.67 H new ATOM 0 HG21 THR A 29 -14.763 2.868 -0.329 1.00 3.67 H new ATOM 0 HG22 THR A 29 -13.150 3.242 -0.980 1.00 3.67 H new ATOM 0 HG23 THR A 29 -13.926 4.357 0.170 1.00 3.67 H new ATOM 399 N VAL A 30 -11.642 5.077 -1.785 1.00 2.09 N ATOM 400 CA VAL A 30 -10.194 4.988 -1.928 1.00 2.27 C ATOM 401 C VAL A 30 -9.611 4.041 -0.886 1.00 1.79 C ATOM 402 O VAL A 30 -10.199 3.810 0.168 1.00 2.13 O ATOM 403 CB VAL A 30 -9.519 6.375 -1.822 1.00 3.54 C ATOM 404 CG1 VAL A 30 -9.805 7.246 -3.056 1.00 4.77 C ATOM 405 CG2 VAL A 30 -9.878 7.141 -0.536 1.00 4.38 C ATOM 0 H VAL A 30 -11.945 5.032 -0.812 1.00 2.09 H new ATOM 0 HA VAL A 30 -9.990 4.594 -2.924 1.00 2.27 H new ATOM 0 HB VAL A 30 -8.450 6.166 -1.777 1.00 3.54 H new ATOM 0 HG11 VAL A 30 -9.313 8.212 -2.942 1.00 4.77 H new ATOM 0 HG12 VAL A 30 -9.425 6.749 -3.948 1.00 4.77 H new ATOM 0 HG13 VAL A 30 -10.880 7.396 -3.154 1.00 4.77 H new ATOM 0 HG21 VAL A 30 -9.368 8.104 -0.532 1.00 4.38 H new ATOM 0 HG22 VAL A 30 -10.955 7.301 -0.497 1.00 4.38 H new ATOM 0 HG23 VAL A 30 -9.565 6.561 0.332 1.00 4.38 H new ATOM 415 N GLN A 31 -8.431 3.520 -1.220 1.00 1.73 N ATOM 416 CA GLN A 31 -7.664 2.547 -0.450 1.00 1.85 C ATOM 417 C GLN A 31 -7.448 2.892 1.024 1.00 1.91 C ATOM 418 O GLN A 31 -7.346 1.974 1.834 1.00 3.17 O ATOM 419 CB GLN A 31 -6.301 2.358 -1.144 1.00 2.24 C ATOM 420 CG GLN A 31 -5.461 3.639 -1.356 1.00 2.25 C ATOM 421 CD GLN A 31 -4.116 3.374 -2.048 1.00 2.45 C ATOM 422 OE1 GLN A 31 -3.058 3.681 -1.537 1.00 3.32 O ATOM 423 NE2 GLN A 31 -4.098 2.789 -3.221 1.00 2.24 N ATOM 0 H GLN A 31 -7.959 3.782 -2.086 1.00 1.73 H new ATOM 0 HA GLN A 31 -8.257 1.633 -0.433 1.00 1.85 H new ATOM 0 HB2 GLN A 31 -5.711 1.655 -0.556 1.00 2.24 H new ATOM 0 HB3 GLN A 31 -6.472 1.896 -2.116 1.00 2.24 H new ATOM 0 HG2 GLN A 31 -6.036 4.348 -1.953 1.00 2.25 H new ATOM 0 HG3 GLN A 31 -5.279 4.110 -0.390 1.00 2.25 H new ATOM 0 HE21 GLN A 31 -4.973 2.521 -3.671 1.00 2.24 H new ATOM 0 HE22 GLN A 31 -3.209 2.601 -3.684 1.00 2.24 H new ATOM 432 N GLY A 32 -7.322 4.183 1.343 1.00 1.61 N ATOM 433 CA GLY A 32 -7.023 4.733 2.674 1.00 1.61 C ATOM 434 C GLY A 32 -5.571 4.510 3.092 1.00 1.56 C ATOM 435 O GLY A 32 -4.894 5.462 3.466 1.00 2.39 O ATOM 0 H GLY A 32 -7.431 4.916 0.642 1.00 1.61 H new ATOM 0 HA2 GLY A 32 -7.238 5.802 2.677 1.00 1.61 H new ATOM 0 HA3 GLY A 32 -7.683 4.273 3.409 1.00 1.61 H new ATOM 439 N ALA A 33 -5.140 3.249 3.004 1.00 1.13 N ATOM 440 CA ALA A 33 -3.903 2.623 3.467 1.00 1.16 C ATOM 441 C ALA A 33 -4.009 2.275 4.961 1.00 1.03 C ATOM 442 O ALA A 33 -4.217 3.149 5.806 1.00 1.32 O ATOM 443 CB ALA A 33 -2.651 3.434 3.105 1.00 1.50 C ATOM 0 H ALA A 33 -5.730 2.555 2.546 1.00 1.13 H new ATOM 0 HA ALA A 33 -3.775 1.684 2.928 1.00 1.16 H new ATOM 0 HB1 ALA A 33 -1.764 2.919 3.475 1.00 1.50 H new ATOM 0 HB2 ALA A 33 -2.585 3.537 2.022 1.00 1.50 H new ATOM 0 HB3 ALA A 33 -2.713 4.422 3.561 1.00 1.50 H new ATOM 449 N THR A 34 -3.872 0.977 5.259 1.00 1.01 N ATOM 450 CA THR A 34 -4.034 0.406 6.603 1.00 0.95 C ATOM 451 C THR A 34 -2.794 -0.384 6.958 1.00 0.90 C ATOM 452 O THR A 34 -2.427 -1.280 6.206 1.00 1.04 O ATOM 453 CB THR A 34 -5.221 -0.548 6.692 1.00 1.12 C ATOM 454 OG1 THR A 34 -6.376 0.070 6.186 1.00 1.50 O ATOM 455 CG2 THR A 34 -5.524 -0.932 8.137 1.00 1.51 C ATOM 0 H THR A 34 -3.640 0.277 4.555 1.00 1.01 H new ATOM 0 HA THR A 34 -4.201 1.239 7.286 1.00 0.95 H new ATOM 0 HB THR A 34 -4.956 -1.435 6.116 1.00 1.12 H new ATOM 0 HG1 THR A 34 -7.132 -0.551 6.246 1.00 1.50 H new ATOM 0 HG21 THR A 34 -6.375 -1.612 8.162 1.00 1.51 H new ATOM 0 HG22 THR A 34 -4.654 -1.423 8.573 1.00 1.51 H new ATOM 0 HG23 THR A 34 -5.759 -0.035 8.710 1.00 1.51 H new ATOM 463 N VAL A 35 -2.197 -0.088 8.102 1.00 0.77 N ATOM 464 CA VAL A 35 -1.050 -0.847 8.650 1.00 0.73 C ATOM 465 C VAL A 35 -1.538 -2.014 9.513 1.00 0.76 C ATOM 466 O VAL A 35 -2.463 -1.839 10.305 1.00 0.83 O ATOM 467 CB VAL A 35 -0.116 0.040 9.501 1.00 0.80 C ATOM 468 CG1 VAL A 35 1.153 -0.727 9.914 1.00 1.08 C ATOM 469 CG2 VAL A 35 0.299 1.323 8.754 1.00 0.89 C ATOM 0 H VAL A 35 -2.487 0.691 8.693 1.00 0.77 H new ATOM 0 HA VAL A 35 -0.488 -1.221 7.794 1.00 0.73 H new ATOM 0 HB VAL A 35 -0.682 0.319 10.390 1.00 0.80 H new ATOM 0 HG11 VAL A 35 1.792 -0.078 10.512 1.00 1.08 H new ATOM 0 HG12 VAL A 35 0.874 -1.602 10.501 1.00 1.08 H new ATOM 0 HG13 VAL A 35 1.692 -1.045 9.022 1.00 1.08 H new ATOM 0 HG21 VAL A 35 0.956 1.918 9.389 1.00 0.89 H new ATOM 0 HG22 VAL A 35 0.825 1.056 7.837 1.00 0.89 H new ATOM 0 HG23 VAL A 35 -0.590 1.904 8.507 1.00 0.89 H new ATOM 479 N ALA A 36 -0.901 -3.185 9.442 1.00 0.77 N ATOM 480 CA ALA A 36 -1.142 -4.253 10.410 1.00 0.91 C ATOM 481 C ALA A 36 -0.413 -3.958 11.741 1.00 1.03 C ATOM 482 O ALA A 36 0.813 -4.064 11.816 1.00 1.55 O ATOM 483 CB ALA A 36 -0.733 -5.590 9.777 1.00 1.07 C ATOM 0 H ALA A 36 -0.215 -3.416 8.724 1.00 0.77 H new ATOM 0 HA ALA A 36 -2.201 -4.312 10.661 1.00 0.91 H new ATOM 0 HB1 ALA A 36 -0.907 -6.398 10.488 1.00 1.07 H new ATOM 0 HB2 ALA A 36 -1.325 -5.764 8.879 1.00 1.07 H new ATOM 0 HB3 ALA A 36 0.324 -5.560 9.514 1.00 1.07 H new ATOM 489 N ALA A 37 -1.168 -3.576 12.779 1.00 0.95 N ATOM 490 CA ALA A 37 -0.683 -3.474 14.163 1.00 1.03 C ATOM 491 C ALA A 37 0.200 -4.671 14.583 1.00 1.04 C ATOM 492 O ALA A 37 -0.132 -5.820 14.299 1.00 1.16 O ATOM 493 CB ALA A 37 -1.890 -3.351 15.108 1.00 1.26 C ATOM 0 H ALA A 37 -2.151 -3.324 12.679 1.00 0.95 H new ATOM 0 HA ALA A 37 -0.052 -2.587 14.227 1.00 1.03 H new ATOM 0 HB1 ALA A 37 -1.540 -3.275 16.137 1.00 1.26 H new ATOM 0 HB2 ALA A 37 -2.463 -2.459 14.853 1.00 1.26 H new ATOM 0 HB3 ALA A 37 -2.524 -4.232 15.005 1.00 1.26 H new ATOM 499 N VAL A 38 1.278 -4.381 15.312 1.00 1.06 N ATOM 500 CA VAL A 38 2.260 -5.355 15.830 1.00 1.11 C ATOM 501 C VAL A 38 2.738 -4.928 17.230 1.00 1.23 C ATOM 502 O VAL A 38 2.706 -3.731 17.525 1.00 1.32 O ATOM 503 CB VAL A 38 3.484 -5.510 14.888 1.00 1.13 C ATOM 504 CG1 VAL A 38 3.154 -6.423 13.698 1.00 2.29 C ATOM 505 CG2 VAL A 38 4.056 -4.168 14.398 1.00 1.86 C ATOM 0 H VAL A 38 1.507 -3.422 15.573 1.00 1.06 H new ATOM 0 HA VAL A 38 1.759 -6.321 15.886 1.00 1.11 H new ATOM 0 HB VAL A 38 4.265 -5.976 15.489 1.00 1.13 H new ATOM 0 HG11 VAL A 38 4.030 -6.513 13.055 1.00 2.29 H new ATOM 0 HG12 VAL A 38 2.869 -7.409 14.064 1.00 2.29 H new ATOM 0 HG13 VAL A 38 2.329 -5.995 13.129 1.00 2.29 H new ATOM 0 HG21 VAL A 38 4.909 -4.353 13.745 1.00 1.86 H new ATOM 0 HG22 VAL A 38 3.288 -3.624 13.848 1.00 1.86 H new ATOM 0 HG23 VAL A 38 4.377 -3.575 15.254 1.00 1.86 H new ATOM 515 N PRO A 39 3.177 -5.860 18.102 1.00 1.34 N ATOM 516 CA PRO A 39 3.657 -5.546 19.451 1.00 1.49 C ATOM 517 C PRO A 39 5.029 -4.839 19.413 1.00 1.42 C ATOM 518 O PRO A 39 5.773 -5.020 18.452 1.00 1.33 O ATOM 519 CB PRO A 39 3.722 -6.895 20.179 1.00 1.66 C ATOM 520 CG PRO A 39 3.987 -7.893 19.052 1.00 1.65 C ATOM 521 CD PRO A 39 3.202 -7.301 17.883 1.00 1.46 C ATOM 0 HA PRO A 39 2.996 -4.850 19.966 1.00 1.49 H new ATOM 0 HB2 PRO A 39 4.516 -6.911 20.925 1.00 1.66 H new ATOM 0 HB3 PRO A 39 2.791 -7.116 20.700 1.00 1.66 H new ATOM 0 HG2 PRO A 39 5.050 -7.974 18.825 1.00 1.65 H new ATOM 0 HG3 PRO A 39 3.638 -8.894 19.308 1.00 1.65 H new ATOM 0 HD2 PRO A 39 3.677 -7.543 16.932 1.00 1.46 H new ATOM 0 HD3 PRO A 39 2.191 -7.707 17.847 1.00 1.46 H new ATOM 529 N PRO A 40 5.415 -4.077 20.459 1.00 1.59 N ATOM 530 CA PRO A 40 6.618 -3.232 20.454 1.00 1.66 C ATOM 531 C PRO A 40 7.954 -3.987 20.343 1.00 1.71 C ATOM 532 O PRO A 40 8.975 -3.374 20.042 1.00 2.88 O ATOM 533 CB PRO A 40 6.553 -2.424 21.754 1.00 1.95 C ATOM 534 CG PRO A 40 5.652 -3.245 22.672 1.00 2.05 C ATOM 535 CD PRO A 40 4.669 -3.883 21.695 1.00 1.87 C ATOM 0 HA PRO A 40 6.609 -2.613 19.557 1.00 1.66 H new ATOM 0 HB2 PRO A 40 7.544 -2.290 22.188 1.00 1.95 H new ATOM 0 HB3 PRO A 40 6.143 -1.429 21.582 1.00 1.95 H new ATOM 0 HG2 PRO A 40 6.215 -3.995 23.227 1.00 2.05 H new ATOM 0 HG3 PRO A 40 5.145 -2.619 23.406 1.00 2.05 H new ATOM 0 HD2 PRO A 40 4.294 -4.832 22.080 1.00 1.87 H new ATOM 0 HD3 PRO A 40 3.804 -3.240 21.534 1.00 1.87 H new ATOM 543 N SER A 41 7.962 -5.304 20.560 1.00 1.88 N ATOM 544 CA SER A 41 9.120 -6.175 20.281 1.00 1.94 C ATOM 545 C SER A 41 9.230 -6.610 18.803 1.00 1.81 C ATOM 546 O SER A 41 10.138 -7.363 18.455 1.00 2.04 O ATOM 547 CB SER A 41 9.067 -7.411 21.188 1.00 2.19 C ATOM 548 OG SER A 41 10.295 -8.114 21.164 1.00 2.49 O ATOM 0 H SER A 41 7.159 -5.807 20.938 1.00 1.88 H new ATOM 0 HA SER A 41 10.011 -5.583 20.491 1.00 1.94 H new ATOM 0 HB2 SER A 41 8.839 -7.107 22.209 1.00 2.19 H new ATOM 0 HB3 SER A 41 8.261 -8.069 20.864 1.00 2.19 H new ATOM 0 HG SER A 41 10.668 -8.091 20.258 1.00 2.49 H new ATOM 554 N ILE A 42 8.310 -6.180 17.930 1.00 1.55 N ATOM 555 CA ILE A 42 8.286 -6.452 16.489 1.00 1.44 C ATOM 556 C ILE A 42 8.169 -5.110 15.752 1.00 1.48 C ATOM 557 O ILE A 42 7.132 -4.455 15.794 1.00 1.99 O ATOM 558 CB ILE A 42 7.087 -7.375 16.164 1.00 1.54 C ATOM 559 CG1 ILE A 42 7.143 -8.726 16.913 1.00 2.01 C ATOM 560 CG2 ILE A 42 6.936 -7.599 14.647 1.00 1.47 C ATOM 561 CD1 ILE A 42 8.263 -9.686 16.486 1.00 2.56 C ATOM 0 H ILE A 42 7.522 -5.603 18.226 1.00 1.55 H new ATOM 0 HA ILE A 42 9.197 -6.958 16.170 1.00 1.44 H new ATOM 0 HB ILE A 42 6.202 -6.850 16.524 1.00 1.54 H new ATOM 0 HG12 ILE A 42 7.251 -8.524 17.979 1.00 2.01 H new ATOM 0 HG13 ILE A 42 6.187 -9.232 16.780 1.00 2.01 H new ATOM 0 HG21 ILE A 42 6.084 -8.252 14.459 1.00 1.47 H new ATOM 0 HG22 ILE A 42 6.776 -6.641 14.152 1.00 1.47 H new ATOM 0 HG23 ILE A 42 7.842 -8.063 14.256 1.00 1.47 H new ATOM 0 HD11 ILE A 42 8.205 -10.599 17.078 1.00 2.56 H new ATOM 0 HD12 ILE A 42 8.150 -9.930 15.430 1.00 2.56 H new ATOM 0 HD13 ILE A 42 9.231 -9.211 16.647 1.00 2.56 H new ATOM 573 N ARG A 43 9.248 -4.683 15.089 1.00 1.34 N ATOM 574 CA ARG A 43 9.337 -3.396 14.366 1.00 1.60 C ATOM 575 C ARG A 43 9.504 -3.601 12.851 1.00 1.29 C ATOM 576 O ARG A 43 10.201 -2.843 12.184 1.00 1.47 O ATOM 577 CB ARG A 43 10.440 -2.525 14.998 1.00 2.36 C ATOM 578 CG ARG A 43 10.084 -2.210 16.465 1.00 4.31 C ATOM 579 CD ARG A 43 11.239 -1.566 17.227 1.00 4.99 C ATOM 580 NE ARG A 43 11.061 -1.861 18.664 1.00 6.56 N ATOM 581 CZ ARG A 43 12.007 -1.939 19.586 1.00 6.99 C ATOM 582 NH1 ARG A 43 13.279 -1.754 19.329 1.00 6.14 N ATOM 583 NH2 ARG A 43 11.663 -2.311 20.798 1.00 8.50 N ATOM 0 H ARG A 43 10.107 -5.230 15.035 1.00 1.34 H new ATOM 0 HA ARG A 43 8.396 -2.856 14.472 1.00 1.60 H new ATOM 0 HB2 ARG A 43 11.397 -3.044 14.950 1.00 2.36 H new ATOM 0 HB3 ARG A 43 10.551 -1.599 14.435 1.00 2.36 H new ATOM 0 HG2 ARG A 43 9.222 -1.544 16.490 1.00 4.31 H new ATOM 0 HG3 ARG A 43 9.790 -3.131 16.969 1.00 4.31 H new ATOM 0 HD2 ARG A 43 12.193 -1.957 16.873 1.00 4.99 H new ATOM 0 HD3 ARG A 43 11.253 -0.489 17.058 1.00 4.99 H new ATOM 0 HE ARG A 43 10.105 -2.022 18.980 1.00 6.56 H new ATOM 0 HH11 ARG A 43 13.581 -1.538 18.379 1.00 6.14 H new ATOM 0 HH12 ARG A 43 13.967 -1.826 20.079 1.00 6.14 H new ATOM 0 HH21 ARG A 43 10.689 -2.530 21.007 1.00 8.50 H new ATOM 0 HH22 ARG A 43 12.370 -2.380 21.530 1.00 8.50 H new ATOM 597 N ASP A 44 8.852 -4.638 12.339 1.00 1.03 N ATOM 598 CA ASP A 44 8.665 -4.970 10.931 1.00 1.03 C ATOM 599 C ASP A 44 7.218 -5.447 10.793 1.00 0.84 C ATOM 600 O ASP A 44 6.766 -6.289 11.573 1.00 1.04 O ATOM 601 CB ASP A 44 9.630 -6.092 10.510 1.00 1.45 C ATOM 602 CG ASP A 44 10.567 -5.659 9.385 1.00 2.05 C ATOM 603 OD1 ASP A 44 11.507 -4.864 9.664 1.00 2.85 O ATOM 604 OD2 ASP A 44 10.331 -6.086 8.247 1.00 3.03 O ATOM 0 H ASP A 44 8.404 -5.324 12.947 1.00 1.03 H new ATOM 0 HA ASP A 44 8.867 -4.109 10.294 1.00 1.03 H new ATOM 0 HB2 ASP A 44 10.220 -6.403 11.372 1.00 1.45 H new ATOM 0 HB3 ASP A 44 9.055 -6.960 10.187 1.00 1.45 H new ATOM 609 N THR A 45 6.471 -4.929 9.816 1.00 0.72 N ATOM 610 CA THR A 45 5.070 -5.306 9.558 1.00 0.91 C ATOM 611 C THR A 45 4.722 -5.058 8.085 1.00 0.73 C ATOM 612 O THR A 45 5.627 -4.868 7.278 1.00 0.79 O ATOM 613 CB THR A 45 4.112 -4.633 10.568 1.00 1.36 C ATOM 614 OG1 THR A 45 2.811 -5.164 10.416 1.00 2.86 O ATOM 615 CG2 THR A 45 4.024 -3.112 10.408 1.00 1.38 C ATOM 0 H THR A 45 6.823 -4.224 9.169 1.00 0.72 H new ATOM 0 HA THR A 45 4.939 -6.375 9.724 1.00 0.91 H new ATOM 0 HB THR A 45 4.521 -4.841 11.557 1.00 1.36 H new ATOM 0 HG1 THR A 45 2.172 -4.609 10.910 1.00 2.86 H new ATOM 0 HG21 THR A 45 3.334 -2.708 11.149 1.00 1.38 H new ATOM 0 HG22 THR A 45 5.011 -2.673 10.553 1.00 1.38 H new ATOM 0 HG23 THR A 45 3.664 -2.872 9.408 1.00 1.38 H new ATOM 623 N ALA A 46 3.441 -5.069 7.720 1.00 0.77 N ATOM 624 CA ALA A 46 2.937 -4.803 6.376 1.00 0.79 C ATOM 625 C ALA A 46 1.721 -3.870 6.392 1.00 0.70 C ATOM 626 O ALA A 46 1.064 -3.703 7.418 1.00 0.78 O ATOM 627 CB ALA A 46 2.640 -6.133 5.669 1.00 1.11 C ATOM 0 H ALA A 46 2.694 -5.273 8.384 1.00 0.77 H new ATOM 0 HA ALA A 46 3.706 -4.276 5.812 1.00 0.79 H new ATOM 0 HB1 ALA A 46 2.264 -5.935 4.665 1.00 1.11 H new ATOM 0 HB2 ALA A 46 3.554 -6.723 5.604 1.00 1.11 H new ATOM 0 HB3 ALA A 46 1.891 -6.687 6.235 1.00 1.11 H new ATOM 633 N ALA A 47 1.439 -3.280 5.233 1.00 0.75 N ATOM 634 CA ALA A 47 0.282 -2.430 4.991 1.00 0.71 C ATOM 635 C ALA A 47 -0.405 -2.798 3.668 1.00 0.79 C ATOM 636 O ALA A 47 0.228 -3.294 2.726 1.00 1.04 O ATOM 637 CB ALA A 47 0.711 -0.956 5.049 1.00 0.88 C ATOM 0 H ALA A 47 2.032 -3.386 4.410 1.00 0.75 H new ATOM 0 HA ALA A 47 -0.462 -2.591 5.771 1.00 0.71 H new ATOM 0 HB1 ALA A 47 -0.154 -0.318 4.868 1.00 0.88 H new ATOM 0 HB2 ALA A 47 1.125 -0.736 6.033 1.00 0.88 H new ATOM 0 HB3 ALA A 47 1.467 -0.767 4.287 1.00 0.88 H new ATOM 643 N TYR A 48 -1.720 -2.560 3.636 1.00 0.77 N ATOM 644 CA TYR A 48 -2.647 -2.984 2.583 1.00 0.95 C ATOM 645 C TYR A 48 -3.481 -1.812 2.018 1.00 0.96 C ATOM 646 O TYR A 48 -3.761 -0.836 2.727 1.00 1.07 O ATOM 647 CB TYR A 48 -3.590 -4.064 3.150 1.00 1.31 C ATOM 648 CG TYR A 48 -2.950 -5.155 3.999 1.00 1.49 C ATOM 649 CD1 TYR A 48 -1.878 -5.923 3.501 1.00 3.00 C ATOM 650 CD2 TYR A 48 -3.444 -5.406 5.294 1.00 1.84 C ATOM 651 CE1 TYR A 48 -1.292 -6.924 4.299 1.00 3.72 C ATOM 652 CE2 TYR A 48 -2.860 -6.400 6.099 1.00 2.47 C ATOM 653 CZ TYR A 48 -1.782 -7.162 5.603 1.00 3.13 C ATOM 654 OH TYR A 48 -1.225 -8.117 6.392 1.00 4.07 O ATOM 0 H TYR A 48 -2.189 -2.042 4.379 1.00 0.77 H new ATOM 0 HA TYR A 48 -2.054 -3.381 1.759 1.00 0.95 H new ATOM 0 HB2 TYR A 48 -4.352 -3.568 3.751 1.00 1.31 H new ATOM 0 HB3 TYR A 48 -4.103 -4.540 2.314 1.00 1.31 H new ATOM 0 HD1 TYR A 48 -1.505 -5.743 2.504 1.00 3.00 H new ATOM 0 HD2 TYR A 48 -4.277 -4.831 5.671 1.00 1.84 H new ATOM 0 HE1 TYR A 48 -0.469 -7.509 3.915 1.00 3.72 H new ATOM 0 HE2 TYR A 48 -3.236 -6.580 7.095 1.00 2.47 H new ATOM 0 HH TYR A 48 -1.689 -8.140 7.255 1.00 4.07 H new ATOM 664 N MET A 49 -3.906 -1.945 0.756 1.00 1.03 N ATOM 665 CA MET A 49 -4.607 -0.942 -0.053 1.00 1.33 C ATOM 666 C MET A 49 -5.517 -1.624 -1.095 1.00 1.16 C ATOM 667 O MET A 49 -5.259 -2.754 -1.501 1.00 1.11 O ATOM 668 CB MET A 49 -3.567 -0.055 -0.778 1.00 1.78 C ATOM 669 CG MET A 49 -2.602 0.719 0.132 1.00 2.47 C ATOM 670 SD MET A 49 -1.044 -0.138 0.484 1.00 3.98 S ATOM 671 CE MET A 49 -0.413 0.927 1.801 1.00 4.92 C ATOM 0 H MET A 49 -3.760 -2.812 0.240 1.00 1.03 H new ATOM 0 HA MET A 49 -5.227 -0.330 0.603 1.00 1.33 H new ATOM 0 HB2 MET A 49 -2.980 -0.686 -1.445 1.00 1.78 H new ATOM 0 HB3 MET A 49 -4.100 0.661 -1.404 1.00 1.78 H new ATOM 0 HG2 MET A 49 -2.376 1.679 -0.333 1.00 2.47 H new ATOM 0 HG3 MET A 49 -3.105 0.932 1.075 1.00 2.47 H new ATOM 0 HE1 MET A 49 0.595 0.613 2.071 1.00 4.92 H new ATOM 0 HE2 MET A 49 -0.391 1.960 1.454 1.00 4.92 H new ATOM 0 HE3 MET A 49 -1.062 0.851 2.673 1.00 4.92 H new ATOM 681 N THR A 50 -6.556 -0.939 -1.592 1.00 1.30 N ATOM 682 CA THR A 50 -7.393 -1.338 -2.751 1.00 1.31 C ATOM 683 C THR A 50 -8.183 -0.128 -3.237 1.00 1.33 C ATOM 684 O THR A 50 -8.867 0.499 -2.435 1.00 1.59 O ATOM 685 CB THR A 50 -8.346 -2.495 -2.399 1.00 1.55 C ATOM 686 OG1 THR A 50 -7.593 -3.677 -2.299 1.00 2.57 O ATOM 687 CG2 THR A 50 -9.400 -2.770 -3.475 1.00 2.12 C ATOM 0 H THR A 50 -6.856 -0.053 -1.186 1.00 1.30 H new ATOM 0 HA THR A 50 -6.735 -1.695 -3.544 1.00 1.31 H new ATOM 0 HB THR A 50 -8.847 -2.206 -1.475 1.00 1.55 H new ATOM 0 HG1 THR A 50 -6.638 -3.462 -2.355 1.00 2.57 H new ATOM 0 HG21 THR A 50 -10.035 -3.597 -3.159 1.00 2.12 H new ATOM 0 HG22 THR A 50 -10.011 -1.879 -3.622 1.00 2.12 H new ATOM 0 HG23 THR A 50 -8.905 -3.030 -4.411 1.00 2.12 H new ATOM 695 N LEU A 51 -8.072 0.248 -4.514 1.00 1.47 N ATOM 696 CA LEU A 51 -8.777 1.430 -5.050 1.00 1.56 C ATOM 697 C LEU A 51 -10.084 0.987 -5.723 1.00 1.42 C ATOM 698 O LEU A 51 -10.053 0.134 -6.609 1.00 1.82 O ATOM 699 CB LEU A 51 -7.852 2.209 -6.014 1.00 1.99 C ATOM 700 CG LEU A 51 -7.991 3.752 -6.002 1.00 2.78 C ATOM 701 CD1 LEU A 51 -9.431 4.247 -6.179 1.00 3.63 C ATOM 702 CD2 LEU A 51 -7.385 4.348 -4.725 1.00 3.71 C ATOM 0 H LEU A 51 -7.502 -0.245 -5.201 1.00 1.47 H new ATOM 0 HA LEU A 51 -9.037 2.110 -4.238 1.00 1.56 H new ATOM 0 HB2 LEU A 51 -6.819 1.957 -5.775 1.00 1.99 H new ATOM 0 HB3 LEU A 51 -8.040 1.856 -7.028 1.00 1.99 H new ATOM 0 HG LEU A 51 -7.434 4.101 -6.871 1.00 2.78 H new ATOM 0 HD11 LEU A 51 -9.446 5.337 -6.160 1.00 3.63 H new ATOM 0 HD12 LEU A 51 -9.822 3.895 -7.134 1.00 3.63 H new ATOM 0 HD13 LEU A 51 -10.050 3.861 -5.369 1.00 3.63 H new ATOM 0 HD21 LEU A 51 -7.496 5.432 -4.741 1.00 3.71 H new ATOM 0 HD22 LEU A 51 -7.901 3.944 -3.854 1.00 3.71 H new ATOM 0 HD23 LEU A 51 -6.327 4.092 -4.671 1.00 3.71 H new ATOM 714 N THR A 52 -11.224 1.574 -5.330 1.00 1.35 N ATOM 715 CA THR A 52 -12.556 1.133 -5.761 1.00 1.39 C ATOM 716 C THR A 52 -13.369 2.279 -6.371 1.00 1.48 C ATOM 717 O THR A 52 -13.836 3.185 -5.686 1.00 1.86 O ATOM 718 CB THR A 52 -13.263 0.408 -4.608 1.00 1.81 C ATOM 719 OG1 THR A 52 -14.469 -0.100 -5.112 1.00 2.19 O ATOM 720 CG2 THR A 52 -13.585 1.234 -3.364 1.00 2.69 C ATOM 0 H THR A 52 -11.246 2.375 -4.699 1.00 1.35 H new ATOM 0 HA THR A 52 -12.451 0.411 -6.571 1.00 1.39 H new ATOM 0 HB THR A 52 -12.556 -0.347 -4.264 1.00 1.81 H new ATOM 0 HG1 THR A 52 -14.948 -0.573 -4.400 1.00 2.19 H new ATOM 0 HG21 THR A 52 -14.083 0.603 -2.627 1.00 2.69 H new ATOM 0 HG22 THR A 52 -12.661 1.628 -2.940 1.00 2.69 H new ATOM 0 HG23 THR A 52 -14.241 2.061 -3.636 1.00 2.69 H new ATOM 728 N ASN A 53 -13.594 2.177 -7.681 1.00 1.48 N ATOM 729 CA ASN A 53 -14.519 3.034 -8.409 1.00 1.67 C ATOM 730 C ASN A 53 -15.973 2.651 -8.127 1.00 2.04 C ATOM 731 O ASN A 53 -16.285 1.537 -7.700 1.00 2.55 O ATOM 732 CB ASN A 53 -14.237 2.950 -9.918 1.00 1.81 C ATOM 733 CG ASN A 53 -13.321 4.059 -10.411 1.00 2.51 C ATOM 734 OD1 ASN A 53 -12.508 4.607 -9.686 1.00 3.47 O ATOM 735 ND2 ASN A 53 -13.410 4.444 -11.668 1.00 3.20 N ATOM 0 H ASN A 53 -13.131 1.486 -8.271 1.00 1.48 H new ATOM 0 HA ASN A 53 -14.368 4.058 -8.068 1.00 1.67 H new ATOM 0 HB2 ASN A 53 -13.785 1.984 -10.145 1.00 1.81 H new ATOM 0 HB3 ASN A 53 -15.180 2.996 -10.462 1.00 1.81 H new ATOM 0 HD21 ASN A 53 -12.805 5.187 -12.018 1.00 3.20 H new ATOM 0 HD22 ASN A 53 -14.083 3.999 -12.291 1.00 3.20 H new ATOM 742 N LYS A 54 -16.872 3.568 -8.475 1.00 2.00 N ATOM 743 CA LYS A 54 -18.336 3.397 -8.410 1.00 2.36 C ATOM 744 C LYS A 54 -18.967 4.337 -9.457 1.00 2.36 C ATOM 745 O LYS A 54 -19.910 5.080 -9.194 1.00 2.81 O ATOM 746 CB LYS A 54 -18.795 3.587 -6.942 1.00 2.86 C ATOM 747 CG LYS A 54 -20.247 3.151 -6.664 1.00 3.43 C ATOM 748 CD LYS A 54 -20.524 2.940 -5.159 1.00 4.04 C ATOM 749 CE LYS A 54 -20.066 1.550 -4.679 1.00 4.54 C ATOM 750 NZ LYS A 54 -20.223 1.367 -3.213 1.00 5.24 N ATOM 0 H LYS A 54 -16.600 4.487 -8.824 1.00 2.00 H new ATOM 0 HA LYS A 54 -18.675 2.395 -8.675 1.00 2.36 H new ATOM 0 HB2 LYS A 54 -18.128 3.022 -6.290 1.00 2.86 H new ATOM 0 HB3 LYS A 54 -18.687 4.638 -6.674 1.00 2.86 H new ATOM 0 HG2 LYS A 54 -20.930 3.906 -7.053 1.00 3.43 H new ATOM 0 HG3 LYS A 54 -20.454 2.226 -7.201 1.00 3.43 H new ATOM 0 HD2 LYS A 54 -20.010 3.710 -4.584 1.00 4.04 H new ATOM 0 HD3 LYS A 54 -21.590 3.057 -4.966 1.00 4.04 H new ATOM 0 HE2 LYS A 54 -20.640 0.783 -5.200 1.00 4.54 H new ATOM 0 HE3 LYS A 54 -19.020 1.404 -4.949 1.00 4.54 H new ATOM 0 HZ1 LYS A 54 -19.900 0.415 -2.945 1.00 5.24 H new ATOM 0 HZ2 LYS A 54 -19.655 2.079 -2.711 1.00 5.24 H new ATOM 0 HZ3 LYS A 54 -21.224 1.478 -2.955 1.00 5.24 H new ATOM 764 N SER A 55 -18.310 4.384 -10.626 1.00 2.02 N ATOM 765 CA SER A 55 -18.312 5.372 -11.723 1.00 2.10 C ATOM 766 C SER A 55 -17.064 5.135 -12.617 1.00 2.01 C ATOM 767 O SER A 55 -16.249 4.253 -12.341 1.00 2.33 O ATOM 768 CB SER A 55 -18.345 6.829 -11.216 1.00 2.44 C ATOM 769 OG SER A 55 -19.614 7.167 -10.693 1.00 2.81 O ATOM 0 H SER A 55 -17.674 3.621 -10.858 1.00 2.02 H new ATOM 0 HA SER A 55 -19.225 5.229 -12.301 1.00 2.10 H new ATOM 0 HB2 SER A 55 -17.585 6.965 -10.446 1.00 2.44 H new ATOM 0 HB3 SER A 55 -18.095 7.506 -12.033 1.00 2.44 H new ATOM 0 HG SER A 55 -19.813 6.596 -9.922 1.00 2.81 H new ATOM 775 N ASP A 56 -16.887 5.918 -13.682 1.00 2.09 N ATOM 776 CA ASP A 56 -15.993 5.667 -14.827 1.00 2.03 C ATOM 777 C ASP A 56 -14.689 6.503 -14.822 1.00 1.93 C ATOM 778 O ASP A 56 -14.194 6.892 -15.882 1.00 2.02 O ATOM 779 CB ASP A 56 -16.817 5.918 -16.109 1.00 2.36 C ATOM 780 CG ASP A 56 -17.201 7.387 -16.351 1.00 4.02 C ATOM 781 OD1 ASP A 56 -17.491 8.108 -15.366 1.00 5.28 O ATOM 782 OD2 ASP A 56 -17.251 7.788 -17.540 1.00 4.75 O ATOM 0 H ASP A 56 -17.392 6.799 -13.780 1.00 2.09 H new ATOM 0 HA ASP A 56 -15.641 4.637 -14.768 1.00 2.03 H new ATOM 0 HB2 ASP A 56 -16.247 5.560 -16.966 1.00 2.36 H new ATOM 0 HB3 ASP A 56 -17.728 5.322 -16.061 1.00 2.36 H new ATOM 787 N GLN A 57 -14.151 6.842 -13.640 1.00 2.08 N ATOM 788 CA GLN A 57 -13.204 7.967 -13.502 1.00 2.30 C ATOM 789 C GLN A 57 -11.803 7.568 -12.964 1.00 2.50 C ATOM 790 O GLN A 57 -11.391 8.080 -11.918 1.00 3.30 O ATOM 791 CB GLN A 57 -13.871 9.085 -12.656 1.00 2.64 C ATOM 792 CG GLN A 57 -15.366 9.290 -12.962 1.00 2.81 C ATOM 793 CD GLN A 57 -15.863 10.715 -12.712 1.00 3.68 C ATOM 794 OE1 GLN A 57 -16.164 11.468 -13.629 1.00 4.72 O ATOM 795 NE2 GLN A 57 -16.025 11.118 -11.475 1.00 3.90 N ATOM 0 H GLN A 57 -14.353 6.356 -12.766 1.00 2.08 H new ATOM 0 HA GLN A 57 -12.992 8.342 -14.503 1.00 2.30 H new ATOM 0 HB2 GLN A 57 -13.756 8.845 -11.599 1.00 2.64 H new ATOM 0 HB3 GLN A 57 -13.343 10.023 -12.829 1.00 2.64 H new ATOM 0 HG2 GLN A 57 -15.552 9.029 -14.004 1.00 2.81 H new ATOM 0 HG3 GLN A 57 -15.949 8.601 -12.351 1.00 2.81 H new ATOM 0 HE21 GLN A 57 -15.778 10.501 -10.701 1.00 3.90 H new ATOM 0 HE22 GLN A 57 -16.398 12.049 -11.286 1.00 3.90 H new ATOM 804 N PRO A 58 -11.058 6.647 -13.616 1.00 2.14 N ATOM 805 CA PRO A 58 -9.870 6.027 -13.039 1.00 2.35 C ATOM 806 C PRO A 58 -8.592 6.859 -13.256 1.00 1.86 C ATOM 807 O PRO A 58 -8.603 7.909 -13.897 1.00 2.26 O ATOM 808 CB PRO A 58 -9.788 4.667 -13.727 1.00 2.88 C ATOM 809 CG PRO A 58 -10.187 5.031 -15.157 1.00 2.63 C ATOM 810 CD PRO A 58 -11.298 6.064 -14.933 1.00 2.11 C ATOM 0 HA PRO A 58 -9.946 5.946 -11.955 1.00 2.35 H new ATOM 0 HB2 PRO A 58 -8.786 4.240 -13.676 1.00 2.88 H new ATOM 0 HB3 PRO A 58 -10.468 3.940 -13.283 1.00 2.88 H new ATOM 0 HG2 PRO A 58 -9.351 5.448 -15.719 1.00 2.63 H new ATOM 0 HG3 PRO A 58 -10.544 4.164 -15.713 1.00 2.63 H new ATOM 0 HD2 PRO A 58 -11.277 6.831 -15.707 1.00 2.11 H new ATOM 0 HD3 PRO A 58 -12.280 5.594 -14.977 1.00 2.11 H new ATOM 818 N ILE A 59 -7.482 6.384 -12.682 1.00 1.51 N ATOM 819 CA ILE A 59 -6.254 7.168 -12.443 1.00 1.68 C ATOM 820 C ILE A 59 -4.981 6.339 -12.707 1.00 1.72 C ATOM 821 O ILE A 59 -5.014 5.108 -12.733 1.00 2.09 O ATOM 822 CB ILE A 59 -6.218 7.665 -10.972 1.00 2.16 C ATOM 823 CG1 ILE A 59 -7.576 7.854 -10.237 1.00 2.35 C ATOM 824 CG2 ILE A 59 -5.448 9.000 -10.856 1.00 2.93 C ATOM 825 CD1 ILE A 59 -8.130 6.584 -9.572 1.00 3.43 C ATOM 0 H ILE A 59 -7.405 5.419 -12.360 1.00 1.51 H new ATOM 0 HA ILE A 59 -6.273 8.011 -13.134 1.00 1.68 H new ATOM 0 HB ILE A 59 -5.721 6.834 -10.473 1.00 2.16 H new ATOM 0 HG12 ILE A 59 -7.457 8.624 -9.475 1.00 2.35 H new ATOM 0 HG13 ILE A 59 -8.312 8.224 -10.951 1.00 2.35 H new ATOM 0 HG21 ILE A 59 -5.438 9.325 -9.816 1.00 2.93 H new ATOM 0 HG22 ILE A 59 -4.424 8.861 -11.202 1.00 2.93 H new ATOM 0 HG23 ILE A 59 -5.938 9.757 -11.468 1.00 2.93 H new ATOM 0 HD11 ILE A 59 -9.078 6.812 -9.085 1.00 3.43 H new ATOM 0 HD12 ILE A 59 -8.287 5.816 -10.329 1.00 3.43 H new ATOM 0 HD13 ILE A 59 -7.419 6.222 -8.830 1.00 3.43 H new ATOM 837 N LYS A 60 -3.814 6.984 -12.785 1.00 1.66 N ATOM 838 CA LYS A 60 -2.510 6.330 -12.949 1.00 1.92 C ATOM 839 C LYS A 60 -1.416 6.925 -12.040 1.00 1.72 C ATOM 840 O LYS A 60 -1.394 8.128 -11.790 1.00 1.57 O ATOM 841 CB LYS A 60 -2.116 6.452 -14.438 1.00 2.64 C ATOM 842 CG LYS A 60 -1.947 7.918 -14.914 1.00 3.46 C ATOM 843 CD LYS A 60 -2.102 8.102 -16.430 1.00 4.27 C ATOM 844 CE LYS A 60 -3.540 7.811 -16.894 1.00 4.90 C ATOM 845 NZ LYS A 60 -3.702 8.038 -18.347 1.00 5.74 N ATOM 0 H LYS A 60 -3.747 8.001 -12.735 1.00 1.66 H new ATOM 0 HA LYS A 60 -2.597 5.286 -12.648 1.00 1.92 H new ATOM 0 HB2 LYS A 60 -1.182 5.914 -14.604 1.00 2.64 H new ATOM 0 HB3 LYS A 60 -2.877 5.965 -15.048 1.00 2.64 H new ATOM 0 HG2 LYS A 60 -2.682 8.542 -14.405 1.00 3.46 H new ATOM 0 HG3 LYS A 60 -0.962 8.276 -14.613 1.00 3.46 H new ATOM 0 HD2 LYS A 60 -1.831 9.122 -16.702 1.00 4.27 H new ATOM 0 HD3 LYS A 60 -1.411 7.439 -16.950 1.00 4.27 H new ATOM 0 HE2 LYS A 60 -3.798 6.779 -16.656 1.00 4.90 H new ATOM 0 HE3 LYS A 60 -4.235 8.447 -16.346 1.00 4.90 H new ATOM 0 HZ1 LYS A 60 -4.683 7.832 -18.623 1.00 5.74 H new ATOM 0 HZ2 LYS A 60 -3.480 9.029 -18.570 1.00 5.74 H new ATOM 0 HZ3 LYS A 60 -3.056 7.413 -18.870 1.00 5.74 H new ATOM 859 N LEU A 61 -0.520 6.071 -11.540 1.00 2.05 N ATOM 860 CA LEU A 61 0.519 6.390 -10.552 1.00 2.07 C ATOM 861 C LEU A 61 1.581 5.275 -10.549 1.00 2.08 C ATOM 862 O LEU A 61 1.461 4.351 -11.345 1.00 2.62 O ATOM 863 CB LEU A 61 -0.162 6.746 -9.199 1.00 2.19 C ATOM 864 CG LEU A 61 -0.149 5.756 -8.017 1.00 2.71 C ATOM 865 CD1 LEU A 61 -0.899 6.386 -6.838 1.00 2.84 C ATOM 866 CD2 LEU A 61 -0.814 4.416 -8.360 1.00 4.32 C ATOM 0 H LEU A 61 -0.496 5.092 -11.825 1.00 2.05 H new ATOM 0 HA LEU A 61 1.090 7.284 -10.802 1.00 2.07 H new ATOM 0 HB2 LEU A 61 0.295 7.671 -8.846 1.00 2.19 H new ATOM 0 HB3 LEU A 61 -1.206 6.969 -9.417 1.00 2.19 H new ATOM 0 HG LEU A 61 0.893 5.555 -7.770 1.00 2.71 H new ATOM 0 HD11 LEU A 61 -0.897 5.695 -5.995 1.00 2.84 H new ATOM 0 HD12 LEU A 61 -0.407 7.314 -6.548 1.00 2.84 H new ATOM 0 HD13 LEU A 61 -1.927 6.597 -7.132 1.00 2.84 H new ATOM 0 HD21 LEU A 61 -0.776 3.758 -7.492 1.00 4.32 H new ATOM 0 HD22 LEU A 61 -1.853 4.587 -8.641 1.00 4.32 H new ATOM 0 HD23 LEU A 61 -0.285 3.950 -9.192 1.00 4.32 H new ATOM 878 N VAL A 62 2.581 5.335 -9.679 1.00 1.70 N ATOM 879 CA VAL A 62 3.572 4.275 -9.444 1.00 1.64 C ATOM 880 C VAL A 62 3.612 3.976 -7.938 1.00 1.73 C ATOM 881 O VAL A 62 4.564 4.291 -7.227 1.00 2.89 O ATOM 882 CB VAL A 62 4.959 4.600 -10.060 1.00 2.10 C ATOM 883 CG1 VAL A 62 4.912 4.396 -11.584 1.00 2.99 C ATOM 884 CG2 VAL A 62 5.460 6.031 -9.776 1.00 2.39 C ATOM 0 H VAL A 62 2.736 6.154 -9.091 1.00 1.70 H new ATOM 0 HA VAL A 62 3.269 3.368 -9.967 1.00 1.64 H new ATOM 0 HB VAL A 62 5.659 3.916 -9.581 1.00 2.10 H new ATOM 0 HG11 VAL A 62 5.888 4.625 -12.012 1.00 2.99 H new ATOM 0 HG12 VAL A 62 4.653 3.360 -11.805 1.00 2.99 H new ATOM 0 HG13 VAL A 62 4.161 5.058 -12.017 1.00 2.99 H new ATOM 0 HG21 VAL A 62 6.435 6.174 -10.242 1.00 2.39 H new ATOM 0 HG22 VAL A 62 4.753 6.752 -10.186 1.00 2.39 H new ATOM 0 HG23 VAL A 62 5.547 6.179 -8.700 1.00 2.39 H new ATOM 894 N GLY A 63 2.494 3.416 -7.463 1.00 1.61 N ATOM 895 CA GLY A 63 2.338 2.870 -6.115 1.00 1.64 C ATOM 896 C GLY A 63 2.034 3.870 -4.996 1.00 1.30 C ATOM 897 O GLY A 63 2.035 5.092 -5.174 1.00 1.41 O ATOM 0 H GLY A 63 1.648 3.329 -8.026 1.00 1.61 H new ATOM 0 HA2 GLY A 63 1.536 2.132 -6.138 1.00 1.64 H new ATOM 0 HA3 GLY A 63 3.253 2.338 -5.856 1.00 1.64 H new ATOM 901 N ALA A 64 1.821 3.303 -3.802 1.00 1.31 N ATOM 902 CA ALA A 64 1.975 3.977 -2.514 1.00 1.30 C ATOM 903 C ALA A 64 3.370 3.699 -1.918 1.00 1.26 C ATOM 904 O ALA A 64 4.023 2.724 -2.282 1.00 1.58 O ATOM 905 CB ALA A 64 0.852 3.500 -1.580 1.00 1.53 C ATOM 0 H ALA A 64 1.527 2.331 -3.707 1.00 1.31 H new ATOM 0 HA ALA A 64 1.897 5.057 -2.642 1.00 1.30 H new ATOM 0 HB1 ALA A 64 0.950 3.992 -0.612 1.00 1.53 H new ATOM 0 HB2 ALA A 64 -0.115 3.748 -2.017 1.00 1.53 H new ATOM 0 HB3 ALA A 64 0.924 2.421 -1.447 1.00 1.53 H new ATOM 911 N ALA A 65 3.808 4.525 -0.969 1.00 1.10 N ATOM 912 CA ALA A 65 5.016 4.339 -0.172 1.00 1.09 C ATOM 913 C ALA A 65 4.850 5.076 1.172 1.00 1.20 C ATOM 914 O ALA A 65 3.753 5.522 1.524 1.00 1.32 O ATOM 915 CB ALA A 65 6.257 4.773 -0.978 1.00 1.06 C ATOM 0 H ALA A 65 3.307 5.379 -0.725 1.00 1.10 H new ATOM 0 HA ALA A 65 5.171 3.286 0.062 1.00 1.09 H new ATOM 0 HB1 ALA A 65 7.152 4.630 -0.373 1.00 1.06 H new ATOM 0 HB2 ALA A 65 6.331 4.171 -1.884 1.00 1.06 H new ATOM 0 HB3 ALA A 65 6.166 5.825 -1.248 1.00 1.06 H new ATOM 921 N THR A 66 5.912 5.137 1.978 1.00 1.27 N ATOM 922 CA THR A 66 5.781 5.287 3.428 1.00 1.51 C ATOM 923 C THR A 66 7.141 5.640 4.031 1.00 1.61 C ATOM 924 O THR A 66 8.061 4.834 3.906 1.00 1.46 O ATOM 925 CB THR A 66 5.145 4.021 4.022 1.00 1.71 C ATOM 926 OG1 THR A 66 5.152 4.142 5.423 1.00 2.18 O ATOM 927 CG2 THR A 66 5.806 2.697 3.631 1.00 1.79 C ATOM 0 H THR A 66 6.876 5.085 1.649 1.00 1.27 H new ATOM 0 HA THR A 66 5.112 6.111 3.676 1.00 1.51 H new ATOM 0 HB THR A 66 4.140 3.968 3.604 1.00 1.71 H new ATOM 0 HG1 THR A 66 4.748 3.343 5.822 1.00 2.18 H new ATOM 0 HG21 THR A 66 5.276 1.871 4.106 1.00 1.79 H new ATOM 0 HG22 THR A 66 5.768 2.577 2.548 1.00 1.79 H new ATOM 0 HG23 THR A 66 6.845 2.698 3.960 1.00 1.79 H new ATOM 935 N PRO A 67 7.296 6.832 4.644 1.00 1.95 N ATOM 936 CA PRO A 67 8.556 7.285 5.229 1.00 2.08 C ATOM 937 C PRO A 67 8.747 6.794 6.676 1.00 1.93 C ATOM 938 O PRO A 67 9.634 7.280 7.378 1.00 2.22 O ATOM 939 CB PRO A 67 8.481 8.812 5.133 1.00 2.53 C ATOM 940 CG PRO A 67 7.002 9.102 5.359 1.00 2.62 C ATOM 941 CD PRO A 67 6.319 7.920 4.672 1.00 2.30 C ATOM 0 HA PRO A 67 9.422 6.880 4.705 1.00 2.08 H new ATOM 0 HB2 PRO A 67 9.106 9.294 5.885 1.00 2.53 H new ATOM 0 HB3 PRO A 67 8.818 9.172 4.161 1.00 2.53 H new ATOM 0 HG2 PRO A 67 6.756 9.151 6.420 1.00 2.62 H new ATOM 0 HG3 PRO A 67 6.704 10.054 4.919 1.00 2.62 H new ATOM 0 HD2 PRO A 67 5.422 7.622 5.215 1.00 2.30 H new ATOM 0 HD3 PRO A 67 6.007 8.186 3.662 1.00 2.30 H new ATOM 949 N LEU A 68 7.898 5.877 7.162 1.00 1.64 N ATOM 950 CA LEU A 68 7.968 5.337 8.527 1.00 1.54 C ATOM 951 C LEU A 68 8.958 4.164 8.632 1.00 1.25 C ATOM 952 O LEU A 68 9.373 3.804 9.733 1.00 1.36 O ATOM 953 CB LEU A 68 6.550 4.912 8.965 1.00 1.69 C ATOM 954 CG LEU A 68 5.651 6.056 9.483 1.00 2.11 C ATOM 955 CD1 LEU A 68 5.468 7.217 8.494 1.00 3.05 C ATOM 956 CD2 LEU A 68 4.271 5.499 9.853 1.00 3.72 C ATOM 0 H LEU A 68 7.134 5.485 6.611 1.00 1.64 H new ATOM 0 HA LEU A 68 8.342 6.113 9.195 1.00 1.54 H new ATOM 0 HB2 LEU A 68 6.053 4.436 8.120 1.00 1.69 H new ATOM 0 HB3 LEU A 68 6.639 4.159 9.748 1.00 1.69 H new ATOM 0 HG LEU A 68 6.166 6.466 10.352 1.00 2.11 H new ATOM 0 HD11 LEU A 68 4.823 7.975 8.938 1.00 3.05 H new ATOM 0 HD12 LEU A 68 6.439 7.656 8.264 1.00 3.05 H new ATOM 0 HD13 LEU A 68 5.012 6.845 7.577 1.00 3.05 H new ATOM 0 HD21 LEU A 68 3.638 6.308 10.218 1.00 3.72 H new ATOM 0 HD22 LEU A 68 3.812 5.049 8.973 1.00 3.72 H new ATOM 0 HD23 LEU A 68 4.380 4.744 10.631 1.00 3.72 H new ATOM 968 N ALA A 69 9.323 3.576 7.488 1.00 1.11 N ATOM 969 CA ALA A 69 10.235 2.440 7.351 1.00 1.10 C ATOM 970 C ALA A 69 11.448 2.812 6.479 1.00 1.33 C ATOM 971 O ALA A 69 11.298 3.480 5.457 1.00 1.64 O ATOM 972 CB ALA A 69 9.433 1.299 6.712 1.00 1.19 C ATOM 0 H ALA A 69 8.971 3.898 6.587 1.00 1.11 H new ATOM 0 HA ALA A 69 10.627 2.140 8.323 1.00 1.10 H new ATOM 0 HB1 ALA A 69 10.075 0.427 6.590 1.00 1.19 H new ATOM 0 HB2 ALA A 69 8.591 1.042 7.354 1.00 1.19 H new ATOM 0 HB3 ALA A 69 9.063 1.616 5.737 1.00 1.19 H new ATOM 978 N THR A 70 12.648 2.351 6.853 1.00 1.39 N ATOM 979 CA THR A 70 13.897 2.571 6.091 1.00 1.65 C ATOM 980 C THR A 70 13.987 1.673 4.851 1.00 1.42 C ATOM 981 O THR A 70 14.826 1.902 3.981 1.00 1.42 O ATOM 982 CB THR A 70 15.104 2.472 7.047 1.00 2.02 C ATOM 983 OG1 THR A 70 15.015 3.559 7.952 1.00 2.61 O ATOM 984 CG2 THR A 70 16.471 2.620 6.373 1.00 2.57 C ATOM 0 H THR A 70 12.787 1.806 7.704 1.00 1.39 H new ATOM 0 HA THR A 70 13.901 3.580 5.679 1.00 1.65 H new ATOM 0 HB THR A 70 15.053 1.481 7.497 1.00 2.02 H new ATOM 0 HG1 THR A 70 15.893 3.721 8.356 1.00 2.61 H new ATOM 0 HG21 THR A 70 17.257 2.537 7.123 1.00 2.57 H new ATOM 0 HG22 THR A 70 16.596 1.835 5.627 1.00 2.57 H new ATOM 0 HG23 THR A 70 16.534 3.594 5.888 1.00 2.57 H new ATOM 992 N SER A 71 13.095 0.699 4.677 1.00 1.35 N ATOM 993 CA SER A 71 12.816 0.076 3.380 1.00 1.32 C ATOM 994 C SER A 71 11.324 -0.268 3.222 1.00 1.16 C ATOM 995 O SER A 71 10.873 -1.288 3.746 1.00 1.05 O ATOM 996 CB SER A 71 13.709 -1.153 3.180 1.00 1.35 C ATOM 997 OG SER A 71 15.014 -0.705 2.847 1.00 1.85 O ATOM 0 H SER A 71 12.538 0.314 5.440 1.00 1.35 H new ATOM 0 HA SER A 71 13.052 0.797 2.597 1.00 1.32 H new ATOM 0 HB2 SER A 71 13.734 -1.756 4.088 1.00 1.35 H new ATOM 0 HB3 SER A 71 13.311 -1.787 2.387 1.00 1.35 H new ATOM 0 HG SER A 71 15.137 0.212 3.169 1.00 1.85 H new ATOM 1003 N PRO A 72 10.541 0.541 2.476 1.00 1.22 N ATOM 1004 CA PRO A 72 9.249 0.102 1.976 1.00 1.13 C ATOM 1005 C PRO A 72 9.505 -0.973 0.915 1.00 1.04 C ATOM 1006 O PRO A 72 10.090 -0.691 -0.132 1.00 1.27 O ATOM 1007 CB PRO A 72 8.570 1.357 1.436 1.00 1.30 C ATOM 1008 CG PRO A 72 9.728 2.271 1.035 1.00 1.45 C ATOM 1009 CD PRO A 72 10.838 1.893 2.016 1.00 1.42 C ATOM 0 HA PRO A 72 8.598 -0.349 2.725 1.00 1.13 H new ATOM 0 HB2 PRO A 72 7.931 1.128 0.583 1.00 1.30 H new ATOM 0 HB3 PRO A 72 7.938 1.824 2.192 1.00 1.30 H new ATOM 0 HG2 PRO A 72 10.032 2.104 0.002 1.00 1.45 H new ATOM 0 HG3 PRO A 72 9.457 3.323 1.122 1.00 1.45 H new ATOM 0 HD2 PRO A 72 11.814 1.933 1.532 1.00 1.42 H new ATOM 0 HD3 PRO A 72 10.869 2.590 2.854 1.00 1.42 H new ATOM 1017 N MET A 73 9.112 -2.210 1.222 1.00 0.80 N ATOM 1018 CA MET A 73 9.413 -3.410 0.429 1.00 0.73 C ATOM 1019 C MET A 73 8.105 -3.981 -0.110 1.00 0.79 C ATOM 1020 O MET A 73 7.334 -4.615 0.608 1.00 1.14 O ATOM 1021 CB MET A 73 10.186 -4.403 1.309 1.00 0.85 C ATOM 1022 CG MET A 73 10.926 -5.491 0.518 1.00 1.04 C ATOM 1023 SD MET A 73 9.899 -6.595 -0.489 1.00 2.59 S ATOM 1024 CE MET A 73 11.143 -7.795 -1.015 1.00 2.92 C ATOM 0 H MET A 73 8.558 -2.414 2.054 1.00 0.80 H new ATOM 0 HA MET A 73 10.044 -3.179 -0.429 1.00 0.73 H new ATOM 0 HB2 MET A 73 10.907 -3.853 1.913 1.00 0.85 H new ATOM 0 HB3 MET A 73 9.490 -4.880 1.999 1.00 0.85 H new ATOM 0 HG2 MET A 73 11.649 -5.005 -0.137 1.00 1.04 H new ATOM 0 HG3 MET A 73 11.493 -6.100 1.222 1.00 1.04 H new ATOM 0 HE1 MET A 73 10.676 -8.550 -1.647 1.00 2.92 H new ATOM 0 HE2 MET A 73 11.926 -7.285 -1.577 1.00 2.92 H new ATOM 0 HE3 MET A 73 11.579 -8.275 -0.139 1.00 2.92 H new ATOM 1034 N LEU A 74 7.816 -3.691 -1.378 1.00 0.82 N ATOM 1035 CA LEU A 74 6.492 -3.853 -1.980 1.00 0.98 C ATOM 1036 C LEU A 74 6.513 -5.021 -2.978 1.00 0.98 C ATOM 1037 O LEU A 74 7.118 -4.894 -4.043 1.00 1.02 O ATOM 1038 CB LEU A 74 6.030 -2.516 -2.611 1.00 1.26 C ATOM 1039 CG LEU A 74 6.504 -1.199 -1.943 1.00 1.88 C ATOM 1040 CD1 LEU A 74 7.836 -0.699 -2.533 1.00 1.71 C ATOM 1041 CD2 LEU A 74 5.484 -0.062 -2.105 1.00 3.27 C ATOM 0 H LEU A 74 8.511 -3.329 -2.030 1.00 0.82 H new ATOM 0 HA LEU A 74 5.758 -4.106 -1.215 1.00 0.98 H new ATOM 0 HB2 LEU A 74 6.362 -2.503 -3.649 1.00 1.26 H new ATOM 0 HB3 LEU A 74 4.940 -2.511 -2.625 1.00 1.26 H new ATOM 0 HG LEU A 74 6.624 -1.446 -0.888 1.00 1.88 H new ATOM 0 HD11 LEU A 74 8.130 0.225 -2.036 1.00 1.71 H new ATOM 0 HD12 LEU A 74 8.607 -1.454 -2.381 1.00 1.71 H new ATOM 0 HD13 LEU A 74 7.715 -0.514 -3.600 1.00 1.71 H new ATOM 0 HD21 LEU A 74 5.862 0.838 -1.620 1.00 3.27 H new ATOM 0 HD22 LEU A 74 5.325 0.136 -3.165 1.00 3.27 H new ATOM 0 HD23 LEU A 74 4.540 -0.352 -1.645 1.00 3.27 H new ATOM 1053 N MET A 75 5.935 -6.173 -2.635 1.00 1.29 N ATOM 1054 CA MET A 75 6.156 -7.455 -3.334 1.00 1.66 C ATOM 1055 C MET A 75 4.838 -8.081 -3.807 1.00 1.89 C ATOM 1056 O MET A 75 3.905 -8.210 -3.009 1.00 2.25 O ATOM 1057 CB MET A 75 6.916 -8.405 -2.395 1.00 1.85 C ATOM 1058 CG MET A 75 7.507 -9.609 -3.137 1.00 2.53 C ATOM 1059 SD MET A 75 8.493 -10.686 -2.067 1.00 2.78 S ATOM 1060 CE MET A 75 9.102 -11.850 -3.309 1.00 4.30 C ATOM 0 H MET A 75 5.287 -6.250 -1.851 1.00 1.29 H new ATOM 0 HA MET A 75 6.750 -7.272 -4.230 1.00 1.66 H new ATOM 0 HB2 MET A 75 7.718 -7.858 -1.899 1.00 1.85 H new ATOM 0 HB3 MET A 75 6.241 -8.758 -1.615 1.00 1.85 H new ATOM 0 HG2 MET A 75 6.697 -10.189 -3.580 1.00 2.53 H new ATOM 0 HG3 MET A 75 8.130 -9.253 -3.958 1.00 2.53 H new ATOM 0 HE1 MET A 75 9.735 -12.596 -2.829 1.00 4.30 H new ATOM 0 HE2 MET A 75 8.258 -12.345 -3.789 1.00 4.30 H new ATOM 0 HE3 MET A 75 9.681 -11.312 -4.059 1.00 4.30 H new ATOM 1070 N THR A 76 4.805 -8.498 -5.083 1.00 1.95 N ATOM 1071 CA THR A 76 3.601 -8.956 -5.791 1.00 2.01 C ATOM 1072 C THR A 76 3.841 -10.225 -6.605 1.00 2.25 C ATOM 1073 O THR A 76 4.951 -10.513 -7.061 1.00 2.66 O ATOM 1074 CB THR A 76 2.958 -7.811 -6.596 1.00 2.28 C ATOM 1075 OG1 THR A 76 2.021 -8.317 -7.511 1.00 2.79 O ATOM 1076 CG2 THR A 76 3.937 -6.950 -7.392 1.00 2.99 C ATOM 0 H THR A 76 5.641 -8.526 -5.667 1.00 1.95 H new ATOM 0 HA THR A 76 2.869 -9.249 -5.039 1.00 2.01 H new ATOM 0 HB THR A 76 2.500 -7.179 -5.835 1.00 2.28 H new ATOM 0 HG1 THR A 76 1.241 -8.658 -7.026 1.00 2.79 H new ATOM 0 HG21 THR A 76 3.389 -6.173 -7.924 1.00 2.99 H new ATOM 0 HG22 THR A 76 4.652 -6.488 -6.711 1.00 2.99 H new ATOM 0 HG23 THR A 76 4.470 -7.574 -8.110 1.00 2.99 H new ATOM 1084 N THR A 77 2.760 -11.000 -6.728 1.00 2.07 N ATOM 1085 CA THR A 77 2.697 -12.371 -7.244 1.00 2.30 C ATOM 1086 C THR A 77 1.673 -12.422 -8.373 1.00 2.38 C ATOM 1087 O THR A 77 1.935 -11.883 -9.442 1.00 3.60 O ATOM 1088 CB THR A 77 2.527 -13.380 -6.093 1.00 2.23 C ATOM 1089 OG1 THR A 77 3.515 -13.105 -5.124 1.00 2.79 O ATOM 1090 CG2 THR A 77 2.809 -14.818 -6.526 1.00 3.20 C ATOM 0 H THR A 77 1.839 -10.662 -6.449 1.00 2.07 H new ATOM 0 HA THR A 77 3.636 -12.684 -7.700 1.00 2.30 H new ATOM 0 HB THR A 77 1.501 -13.286 -5.738 1.00 2.23 H new ATOM 0 HG1 THR A 77 3.426 -13.735 -4.378 1.00 2.79 H new ATOM 0 HG21 THR A 77 2.674 -15.487 -5.676 1.00 3.20 H new ATOM 0 HG22 THR A 77 2.120 -15.100 -7.322 1.00 3.20 H new ATOM 0 HG23 THR A 77 3.834 -14.894 -6.889 1.00 3.20 H new ATOM 1098 N THR A 78 0.543 -13.101 -8.189 1.00 2.16 N ATOM 1099 CA THR A 78 -0.344 -13.541 -9.283 1.00 2.37 C ATOM 1100 C THR A 78 -1.843 -13.513 -8.976 1.00 2.36 C ATOM 1101 O THR A 78 -2.601 -14.414 -9.319 1.00 3.62 O ATOM 1102 CB THR A 78 0.040 -14.939 -9.736 1.00 4.35 C ATOM 1103 OG1 THR A 78 0.075 -15.771 -8.601 1.00 5.17 O ATOM 1104 CG2 THR A 78 1.379 -15.021 -10.468 1.00 5.68 C ATOM 0 H THR A 78 0.206 -13.369 -7.264 1.00 2.16 H new ATOM 0 HA THR A 78 -0.191 -12.803 -10.070 1.00 2.37 H new ATOM 0 HB THR A 78 -0.710 -15.258 -10.460 1.00 4.35 H new ATOM 0 HG1 THR A 78 0.320 -16.681 -8.870 1.00 5.17 H new ATOM 0 HG21 THR A 78 1.574 -16.054 -10.755 1.00 5.68 H new ATOM 0 HG22 THR A 78 1.344 -14.397 -11.361 1.00 5.68 H new ATOM 0 HG23 THR A 78 2.175 -14.671 -9.811 1.00 5.68 H new ATOM 1112 N HIS A 79 -2.297 -12.414 -8.406 1.00 2.47 N ATOM 1113 CA HIS A 79 -3.729 -12.113 -8.317 1.00 3.34 C ATOM 1114 C HIS A 79 -4.070 -10.639 -8.600 1.00 3.47 C ATOM 1115 O HIS A 79 -3.365 -9.735 -8.171 1.00 4.83 O ATOM 1116 CB HIS A 79 -4.283 -12.504 -6.936 1.00 4.89 C ATOM 1117 CG HIS A 79 -4.514 -13.985 -6.719 1.00 5.31 C ATOM 1118 ND1 HIS A 79 -3.947 -14.753 -5.731 1.00 6.47 N ATOM 1119 CD2 HIS A 79 -5.402 -14.786 -7.391 1.00 5.34 C ATOM 1120 CE1 HIS A 79 -4.474 -15.989 -5.814 1.00 6.91 C ATOM 1121 NE2 HIS A 79 -5.379 -16.063 -6.814 1.00 6.29 N ATOM 0 H HIS A 79 -1.695 -11.703 -7.991 1.00 2.47 H new ATOM 0 HA HIS A 79 -4.202 -12.709 -9.098 1.00 3.34 H new ATOM 0 HB2 HIS A 79 -3.592 -12.147 -6.173 1.00 4.89 H new ATOM 0 HB3 HIS A 79 -5.227 -11.981 -6.782 1.00 4.89 H new ATOM 0 HD1 HIS A 79 -3.250 -14.442 -5.054 1.00 6.47 H new ATOM 0 HD2 HIS A 79 -6.017 -14.483 -8.226 1.00 5.34 H new ATOM 0 HE1 HIS A 79 -4.208 -16.812 -5.167 1.00 6.91 H new ATOM 1129 N SER A 80 -5.202 -10.458 -9.283 1.00 2.76 N ATOM 1130 CA SER A 80 -6.044 -9.269 -9.509 1.00 3.07 C ATOM 1131 C SER A 80 -7.035 -9.560 -10.668 1.00 2.87 C ATOM 1132 O SER A 80 -7.096 -10.687 -11.173 1.00 3.52 O ATOM 1133 CB SER A 80 -5.256 -7.958 -9.702 1.00 3.38 C ATOM 1134 OG SER A 80 -6.131 -6.830 -9.635 1.00 4.50 O ATOM 0 H SER A 80 -5.613 -11.259 -9.763 1.00 2.76 H new ATOM 0 HA SER A 80 -6.609 -9.086 -8.595 1.00 3.07 H new ATOM 0 HB2 SER A 80 -4.486 -7.874 -8.935 1.00 3.38 H new ATOM 0 HB3 SER A 80 -4.746 -7.973 -10.665 1.00 3.38 H new ATOM 0 HG SER A 80 -6.370 -6.656 -8.701 1.00 4.50 H new ATOM 1140 N GLY A 81 -7.843 -8.580 -11.098 1.00 2.69 N ATOM 1141 CA GLY A 81 -8.992 -8.747 -12.011 1.00 3.02 C ATOM 1142 C GLY A 81 -8.614 -8.943 -13.485 1.00 2.92 C ATOM 1143 O GLY A 81 -8.943 -8.108 -14.332 1.00 3.31 O ATOM 0 H GLY A 81 -7.712 -7.610 -10.810 1.00 2.69 H new ATOM 0 HA2 GLY A 81 -9.578 -9.605 -11.683 1.00 3.02 H new ATOM 0 HA3 GLY A 81 -9.635 -7.871 -11.928 1.00 3.02 H new ATOM 1147 N GLY A 82 -7.923 -10.045 -13.788 1.00 3.28 N ATOM 1148 CA GLY A 82 -7.361 -10.341 -15.108 1.00 3.69 C ATOM 1149 C GLY A 82 -5.940 -9.806 -15.235 1.00 3.30 C ATOM 1150 O GLY A 82 -5.499 -9.512 -16.342 1.00 3.45 O ATOM 0 H GLY A 82 -7.734 -10.776 -13.103 1.00 3.28 H new ATOM 0 HA2 GLY A 82 -7.363 -11.418 -15.274 1.00 3.69 H new ATOM 0 HA3 GLY A 82 -7.989 -9.899 -15.881 1.00 3.69 H new ATOM 1154 N MET A 83 -5.246 -9.647 -14.104 1.00 2.96 N ATOM 1155 CA MET A 83 -3.885 -9.123 -14.018 1.00 2.63 C ATOM 1156 C MET A 83 -3.126 -9.848 -12.906 1.00 2.43 C ATOM 1157 O MET A 83 -3.718 -10.238 -11.901 1.00 2.65 O ATOM 1158 CB MET A 83 -3.927 -7.596 -13.824 1.00 2.56 C ATOM 1159 CG MET A 83 -2.537 -6.947 -13.831 1.00 2.87 C ATOM 1160 SD MET A 83 -1.559 -7.290 -15.321 1.00 4.01 S ATOM 1161 CE MET A 83 0.013 -6.553 -14.805 1.00 4.58 C ATOM 0 H MET A 83 -5.633 -9.889 -13.192 1.00 2.96 H new ATOM 0 HA MET A 83 -3.345 -9.309 -14.946 1.00 2.63 H new ATOM 0 HB2 MET A 83 -4.532 -7.152 -14.615 1.00 2.56 H new ATOM 0 HB3 MET A 83 -4.422 -7.370 -12.879 1.00 2.56 H new ATOM 0 HG2 MET A 83 -2.652 -5.868 -13.727 1.00 2.87 H new ATOM 0 HG3 MET A 83 -1.983 -7.294 -12.959 1.00 2.87 H new ATOM 0 HE1 MET A 83 0.748 -6.668 -15.602 1.00 4.58 H new ATOM 0 HE2 MET A 83 -0.133 -5.493 -14.596 1.00 4.58 H new ATOM 0 HE3 MET A 83 0.372 -7.054 -13.906 1.00 4.58 H new ATOM 1171 N ALA A 84 -1.830 -10.072 -13.121 1.00 2.29 N ATOM 1172 CA ALA A 84 -0.969 -10.978 -12.365 1.00 2.24 C ATOM 1173 C ALA A 84 0.483 -10.848 -12.866 1.00 2.18 C ATOM 1174 O ALA A 84 0.719 -10.188 -13.880 1.00 2.41 O ATOM 1175 CB ALA A 84 -1.513 -12.411 -12.557 1.00 2.69 C ATOM 0 H ALA A 84 -1.325 -9.599 -13.870 1.00 2.29 H new ATOM 0 HA ALA A 84 -0.969 -10.733 -11.303 1.00 2.24 H new ATOM 0 HB1 ALA A 84 -0.890 -13.114 -12.003 1.00 2.69 H new ATOM 0 HB2 ALA A 84 -2.537 -12.464 -12.187 1.00 2.69 H new ATOM 0 HB3 ALA A 84 -1.496 -12.668 -13.616 1.00 2.69 H new ATOM 1181 N GLY A 85 1.426 -11.539 -12.216 1.00 2.22 N ATOM 1182 CA GLY A 85 2.781 -11.740 -12.742 1.00 2.62 C ATOM 1183 C GLY A 85 3.848 -11.269 -11.764 1.00 2.11 C ATOM 1184 O GLY A 85 4.039 -10.071 -11.568 1.00 2.76 O ATOM 0 H GLY A 85 1.271 -11.976 -11.308 1.00 2.22 H new ATOM 0 HA2 GLY A 85 2.932 -12.797 -12.961 1.00 2.62 H new ATOM 0 HA3 GLY A 85 2.888 -11.201 -13.683 1.00 2.62 H new ATOM 1188 N MET A 86 4.570 -12.241 -11.204 1.00 2.49 N ATOM 1189 CA MET A 86 5.496 -12.045 -10.088 1.00 2.14 C ATOM 1190 C MET A 86 6.558 -10.970 -10.371 1.00 2.17 C ATOM 1191 O MET A 86 7.171 -10.961 -11.448 1.00 3.07 O ATOM 1192 CB MET A 86 6.110 -13.409 -9.746 1.00 3.12 C ATOM 1193 CG MET A 86 6.838 -13.427 -8.402 1.00 4.08 C ATOM 1194 SD MET A 86 7.722 -14.978 -8.101 1.00 5.24 S ATOM 1195 CE MET A 86 6.365 -16.041 -7.553 1.00 6.33 C ATOM 0 H MET A 86 4.526 -13.209 -11.522 1.00 2.49 H new ATOM 0 HA MET A 86 4.951 -11.660 -9.226 1.00 2.14 H new ATOM 0 HB2 MET A 86 5.321 -14.161 -9.734 1.00 3.12 H new ATOM 0 HB3 MET A 86 6.809 -13.692 -10.533 1.00 3.12 H new ATOM 0 HG2 MET A 86 7.545 -12.599 -8.367 1.00 4.08 H new ATOM 0 HG3 MET A 86 6.116 -13.265 -7.601 1.00 4.08 H new ATOM 0 HE1 MET A 86 6.720 -17.068 -7.465 1.00 6.33 H new ATOM 0 HE2 MET A 86 6.002 -15.698 -6.584 1.00 6.33 H new ATOM 0 HE3 MET A 86 5.554 -15.999 -8.280 1.00 6.33 H new ATOM 1205 N LYS A 87 6.747 -10.069 -9.400 1.00 1.82 N ATOM 1206 CA LYS A 87 7.565 -8.852 -9.463 1.00 2.45 C ATOM 1207 C LYS A 87 7.572 -8.084 -8.120 1.00 1.15 C ATOM 1208 O LYS A 87 7.201 -8.615 -7.073 1.00 1.81 O ATOM 1209 CB LYS A 87 7.153 -7.994 -10.694 1.00 4.40 C ATOM 1210 CG LYS A 87 8.274 -7.999 -11.747 1.00 5.77 C ATOM 1211 CD LYS A 87 7.784 -7.625 -13.159 1.00 7.60 C ATOM 1212 CE LYS A 87 8.415 -8.563 -14.198 1.00 8.94 C ATOM 1213 NZ LYS A 87 7.778 -9.902 -14.184 1.00 9.48 N ATOM 0 H LYS A 87 6.303 -10.178 -8.488 1.00 1.82 H new ATOM 0 HA LYS A 87 8.608 -9.131 -9.616 1.00 2.45 H new ATOM 0 HB2 LYS A 87 6.234 -8.387 -11.129 1.00 4.40 H new ATOM 0 HB3 LYS A 87 6.944 -6.971 -10.380 1.00 4.40 H new ATOM 0 HG2 LYS A 87 9.052 -7.299 -11.443 1.00 5.77 H new ATOM 0 HG3 LYS A 87 8.730 -8.989 -11.778 1.00 5.77 H new ATOM 0 HD2 LYS A 87 6.697 -7.695 -13.206 1.00 7.60 H new ATOM 0 HD3 LYS A 87 8.047 -6.591 -13.383 1.00 7.60 H new ATOM 0 HE2 LYS A 87 8.319 -8.124 -15.191 1.00 8.94 H new ATOM 0 HE3 LYS A 87 9.481 -8.665 -13.997 1.00 8.94 H new ATOM 0 HZ1 LYS A 87 8.408 -10.591 -14.641 1.00 9.48 H new ATOM 0 HZ2 LYS A 87 7.602 -10.193 -13.201 1.00 9.48 H new ATOM 0 HZ3 LYS A 87 6.876 -9.863 -14.700 1.00 9.48 H new ATOM 1227 N MET A 88 8.028 -6.831 -8.133 1.00 1.61 N ATOM 1228 CA MET A 88 8.054 -5.934 -6.969 1.00 1.78 C ATOM 1229 C MET A 88 7.811 -4.491 -7.415 1.00 1.70 C ATOM 1230 O MET A 88 8.110 -4.161 -8.560 1.00 2.52 O ATOM 1231 CB MET A 88 9.380 -6.078 -6.196 1.00 3.37 C ATOM 1232 CG MET A 88 10.617 -5.705 -7.027 1.00 3.44 C ATOM 1233 SD MET A 88 12.178 -5.920 -6.139 1.00 5.33 S ATOM 1234 CE MET A 88 13.326 -5.675 -7.515 1.00 5.33 C ATOM 0 H MET A 88 8.401 -6.396 -8.977 1.00 1.61 H new ATOM 0 HA MET A 88 7.252 -6.215 -6.286 1.00 1.78 H new ATOM 0 HB2 MET A 88 9.344 -5.446 -5.308 1.00 3.37 H new ATOM 0 HB3 MET A 88 9.481 -7.107 -5.851 1.00 3.37 H new ATOM 0 HG2 MET A 88 10.635 -6.315 -7.930 1.00 3.44 H new ATOM 0 HG3 MET A 88 10.530 -4.666 -7.346 1.00 3.44 H new ATOM 0 HE1 MET A 88 14.351 -5.772 -7.156 1.00 5.33 H new ATOM 0 HE2 MET A 88 13.139 -6.425 -8.283 1.00 5.33 H new ATOM 0 HE3 MET A 88 13.182 -4.680 -7.936 1.00 5.33 H new ATOM 1244 N VAL A 89 7.290 -3.663 -6.507 1.00 1.71 N ATOM 1245 CA VAL A 89 6.859 -2.266 -6.683 1.00 1.63 C ATOM 1246 C VAL A 89 5.481 -2.213 -7.382 1.00 1.53 C ATOM 1247 O VAL A 89 5.391 -2.594 -8.551 1.00 1.98 O ATOM 1248 CB VAL A 89 7.884 -1.352 -7.404 1.00 2.04 C ATOM 1249 CG1 VAL A 89 7.423 0.117 -7.346 1.00 2.69 C ATOM 1250 CG2 VAL A 89 9.273 -1.429 -6.739 1.00 3.55 C ATOM 0 H VAL A 89 7.145 -3.975 -5.547 1.00 1.71 H new ATOM 0 HA VAL A 89 6.780 -1.856 -5.676 1.00 1.63 H new ATOM 0 HB VAL A 89 7.949 -1.699 -8.435 1.00 2.04 H new ATOM 0 HG11 VAL A 89 8.152 0.747 -7.856 1.00 2.69 H new ATOM 0 HG12 VAL A 89 6.454 0.214 -7.835 1.00 2.69 H new ATOM 0 HG13 VAL A 89 7.337 0.431 -6.306 1.00 2.69 H new ATOM 0 HG21 VAL A 89 9.967 -0.777 -7.269 1.00 3.55 H new ATOM 0 HG22 VAL A 89 9.197 -1.110 -5.700 1.00 3.55 H new ATOM 0 HG23 VAL A 89 9.638 -2.455 -6.778 1.00 3.55 H new ATOM 1260 N PRO A 90 4.416 -1.748 -6.692 1.00 1.28 N ATOM 1261 CA PRO A 90 3.077 -1.640 -7.247 1.00 1.51 C ATOM 1262 C PRO A 90 2.989 -0.531 -8.292 1.00 1.90 C ATOM 1263 O PRO A 90 3.711 0.466 -8.274 1.00 3.10 O ATOM 1264 CB PRO A 90 2.132 -1.378 -6.072 1.00 1.60 C ATOM 1265 CG PRO A 90 3.031 -0.724 -5.034 1.00 1.41 C ATOM 1266 CD PRO A 90 4.362 -1.420 -5.280 1.00 1.16 C ATOM 0 HA PRO A 90 2.802 -2.559 -7.766 1.00 1.51 H new ATOM 0 HB2 PRO A 90 1.307 -0.725 -6.358 1.00 1.60 H new ATOM 0 HB3 PRO A 90 1.692 -2.302 -5.697 1.00 1.60 H new ATOM 0 HG2 PRO A 90 3.102 0.354 -5.178 1.00 1.41 H new ATOM 0 HG3 PRO A 90 2.667 -0.887 -4.019 1.00 1.41 H new ATOM 0 HD2 PRO A 90 5.193 -0.771 -5.003 1.00 1.16 H new ATOM 0 HD3 PRO A 90 4.444 -2.321 -4.672 1.00 1.16 H new ATOM 1274 N TRP A 91 2.054 -0.753 -9.206 1.00 1.50 N ATOM 1275 CA TRP A 91 1.853 -0.038 -10.464 1.00 1.89 C ATOM 1276 C TRP A 91 0.671 0.947 -10.399 1.00 2.23 C ATOM 1277 O TRP A 91 0.157 1.292 -9.332 1.00 2.69 O ATOM 1278 CB TRP A 91 1.708 -1.124 -11.565 1.00 2.37 C ATOM 1279 CG TRP A 91 1.116 -2.437 -11.125 1.00 2.54 C ATOM 1280 CD1 TRP A 91 -0.059 -2.604 -10.469 1.00 2.33 C ATOM 1281 CD2 TRP A 91 1.745 -3.760 -11.169 1.00 3.15 C ATOM 1282 NE1 TRP A 91 -0.154 -3.913 -10.038 1.00 2.71 N ATOM 1283 CE2 TRP A 91 0.909 -4.679 -10.467 1.00 3.25 C ATOM 1284 CE3 TRP A 91 2.954 -4.270 -11.693 1.00 3.77 C ATOM 1285 CZ2 TRP A 91 1.254 -6.027 -10.294 1.00 3.90 C ATOM 1286 CZ3 TRP A 91 3.302 -5.627 -11.543 1.00 4.43 C ATOM 1287 CH2 TRP A 91 2.452 -6.507 -10.850 1.00 4.49 C ATOM 0 H TRP A 91 1.363 -1.493 -9.080 1.00 1.50 H new ATOM 0 HA TRP A 91 2.702 0.606 -10.692 1.00 1.89 H new ATOM 0 HB2 TRP A 91 1.089 -0.720 -12.366 1.00 2.37 H new ATOM 0 HB3 TRP A 91 2.693 -1.317 -11.989 1.00 2.37 H new ATOM 0 HD1 TRP A 91 -0.802 -1.836 -10.309 1.00 2.33 H new ATOM 0 HE1 TRP A 91 -0.921 -4.271 -9.469 1.00 2.71 H new ATOM 0 HE3 TRP A 91 3.625 -3.607 -12.219 1.00 3.77 H new ATOM 0 HZ2 TRP A 91 0.606 -6.689 -9.739 1.00 3.90 H new ATOM 0 HZ3 TRP A 91 4.227 -5.993 -11.963 1.00 4.43 H new ATOM 0 HH2 TRP A 91 2.719 -7.548 -10.745 1.00 4.49 H new ATOM 1298 N LEU A 92 0.254 1.436 -11.572 1.00 2.65 N ATOM 1299 CA LEU A 92 -0.870 2.342 -11.754 1.00 3.21 C ATOM 1300 C LEU A 92 -2.190 1.765 -11.226 1.00 2.34 C ATOM 1301 O LEU A 92 -2.432 0.562 -11.286 1.00 3.74 O ATOM 1302 CB LEU A 92 -0.945 2.799 -13.227 1.00 5.21 C ATOM 1303 CG LEU A 92 -1.925 2.001 -14.111 1.00 6.70 C ATOM 1304 CD1 LEU A 92 -2.159 2.757 -15.427 1.00 8.59 C ATOM 1305 CD2 LEU A 92 -1.399 0.593 -14.428 1.00 7.89 C ATOM 0 H LEU A 92 0.713 1.198 -12.451 1.00 2.65 H new ATOM 0 HA LEU A 92 -0.698 3.228 -11.143 1.00 3.21 H new ATOM 0 HB2 LEU A 92 -1.232 3.850 -13.251 1.00 5.21 H new ATOM 0 HB3 LEU A 92 0.051 2.731 -13.663 1.00 5.21 H new ATOM 0 HG LEU A 92 -2.858 1.896 -13.557 1.00 6.70 H new ATOM 0 HD11 LEU A 92 -2.852 2.193 -16.052 1.00 8.59 H new ATOM 0 HD12 LEU A 92 -2.581 3.739 -15.212 1.00 8.59 H new ATOM 0 HD13 LEU A 92 -1.211 2.876 -15.952 1.00 8.59 H new ATOM 0 HD21 LEU A 92 -2.121 0.067 -15.053 1.00 7.89 H new ATOM 0 HD22 LEU A 92 -0.449 0.670 -14.957 1.00 7.89 H new ATOM 0 HD23 LEU A 92 -1.253 0.042 -13.499 1.00 7.89 H new ATOM 1317 N THR A 93 -3.083 2.663 -10.786 1.00 2.04 N ATOM 1318 CA THR A 93 -4.342 2.282 -10.135 1.00 2.89 C ATOM 1319 C THR A 93 -5.471 1.831 -11.031 1.00 2.31 C ATOM 1320 O THR A 93 -6.161 0.887 -10.664 1.00 3.15 O ATOM 1321 CB THR A 93 -4.743 3.222 -8.997 1.00 5.21 C ATOM 1322 OG1 THR A 93 -5.960 2.785 -8.456 1.00 6.71 O ATOM 1323 CG2 THR A 93 -4.961 4.657 -9.437 1.00 6.08 C ATOM 0 H THR A 93 -2.952 3.671 -10.872 1.00 2.04 H new ATOM 0 HA THR A 93 -4.092 1.336 -9.654 1.00 2.89 H new ATOM 0 HB THR A 93 -3.919 3.200 -8.284 1.00 5.21 H new ATOM 0 HG1 THR A 93 -6.671 3.414 -8.700 1.00 6.71 H new ATOM 0 HG21 THR A 93 -5.243 5.263 -8.576 1.00 6.08 H new ATOM 0 HG22 THR A 93 -4.041 5.048 -9.871 1.00 6.08 H new ATOM 0 HG23 THR A 93 -5.757 4.692 -10.181 1.00 6.08 H new ATOM 1331 N ILE A 94 -5.660 2.495 -12.153 1.00 1.68 N ATOM 1332 CA ILE A 94 -6.666 2.242 -13.186 1.00 1.99 C ATOM 1333 C ILE A 94 -7.808 1.252 -12.810 1.00 1.56 C ATOM 1334 O ILE A 94 -7.834 0.100 -13.252 1.00 2.63 O ATOM 1335 CB ILE A 94 -5.916 2.054 -14.516 1.00 3.98 C ATOM 1336 CG1 ILE A 94 -6.804 2.304 -15.753 1.00 5.53 C ATOM 1337 CG2 ILE A 94 -5.211 0.691 -14.636 1.00 5.17 C ATOM 1338 CD1 ILE A 94 -6.887 3.792 -16.114 1.00 6.86 C ATOM 0 H ILE A 94 -5.070 3.292 -12.393 1.00 1.68 H new ATOM 0 HA ILE A 94 -7.318 3.107 -13.308 1.00 1.99 H new ATOM 0 HB ILE A 94 -5.143 2.822 -14.497 1.00 3.98 H new ATOM 0 HG12 ILE A 94 -6.407 1.747 -16.602 1.00 5.53 H new ATOM 0 HG13 ILE A 94 -7.807 1.922 -15.562 1.00 5.53 H new ATOM 0 HG21 ILE A 94 -4.703 0.628 -15.598 1.00 5.17 H new ATOM 0 HG22 ILE A 94 -4.482 0.587 -13.833 1.00 5.17 H new ATOM 0 HG23 ILE A 94 -5.949 -0.108 -14.562 1.00 5.17 H new ATOM 0 HD11 ILE A 94 -7.522 3.919 -16.990 1.00 6.86 H new ATOM 0 HD12 ILE A 94 -7.309 4.347 -15.276 1.00 6.86 H new ATOM 0 HD13 ILE A 94 -5.888 4.170 -16.332 1.00 6.86 H new ATOM 1350 N PRO A 95 -8.753 1.693 -11.946 1.00 3.23 N ATOM 1351 CA PRO A 95 -10.013 0.999 -11.674 1.00 4.43 C ATOM 1352 C PRO A 95 -11.014 1.267 -12.819 1.00 3.30 C ATOM 1353 O PRO A 95 -10.614 1.186 -13.975 1.00 2.65 O ATOM 1354 CB PRO A 95 -10.431 1.502 -10.282 1.00 6.91 C ATOM 1355 CG PRO A 95 -9.970 2.957 -10.334 1.00 7.25 C ATOM 1356 CD PRO A 95 -8.632 2.836 -11.044 1.00 5.19 C ATOM 0 HA PRO A 95 -9.947 -0.089 -11.649 1.00 4.43 H new ATOM 0 HB2 PRO A 95 -11.506 1.418 -10.121 1.00 6.91 H new ATOM 0 HB3 PRO A 95 -9.944 0.946 -9.481 1.00 6.91 H new ATOM 0 HG2 PRO A 95 -10.669 3.588 -10.884 1.00 7.25 H new ATOM 0 HG3 PRO A 95 -9.867 3.389 -9.338 1.00 7.25 H new ATOM 0 HD2 PRO A 95 -8.401 3.746 -11.597 1.00 5.19 H new ATOM 0 HD3 PRO A 95 -7.824 2.684 -10.329 1.00 5.19 H new ATOM 1364 N ALA A 96 -12.295 1.550 -12.529 1.00 3.93 N ATOM 1365 CA ALA A 96 -13.413 1.690 -13.479 1.00 3.21 C ATOM 1366 C ALA A 96 -13.808 0.299 -13.982 1.00 2.55 C ATOM 1367 O ALA A 96 -13.466 -0.110 -15.090 1.00 2.59 O ATOM 1368 CB ALA A 96 -13.140 2.704 -14.602 1.00 3.22 C ATOM 0 H ALA A 96 -12.597 1.696 -11.566 1.00 3.93 H new ATOM 0 HA ALA A 96 -14.267 2.123 -12.957 1.00 3.21 H new ATOM 0 HB1 ALA A 96 -14.005 2.756 -15.264 1.00 3.22 H new ATOM 0 HB2 ALA A 96 -12.956 3.687 -14.168 1.00 3.22 H new ATOM 0 HB3 ALA A 96 -12.266 2.389 -15.172 1.00 3.22 H new ATOM 1374 N ARG A 97 -14.426 -0.474 -13.080 1.00 2.92 N ATOM 1375 CA ARG A 97 -14.671 -1.917 -13.226 1.00 2.40 C ATOM 1376 C ARG A 97 -13.379 -2.758 -13.106 1.00 1.96 C ATOM 1377 O ARG A 97 -13.469 -3.987 -13.080 1.00 2.16 O ATOM 1378 CB ARG A 97 -15.448 -2.212 -14.529 1.00 2.46 C ATOM 1379 CG ARG A 97 -16.361 -3.449 -14.459 1.00 2.82 C ATOM 1380 CD ARG A 97 -15.940 -4.599 -15.381 1.00 2.87 C ATOM 1381 NE ARG A 97 -15.224 -5.669 -14.656 1.00 3.65 N ATOM 1382 CZ ARG A 97 -15.288 -6.965 -14.963 1.00 4.51 C ATOM 1383 NH1 ARG A 97 -15.833 -7.359 -16.094 1.00 4.56 N ATOM 1384 NH2 ARG A 97 -14.807 -7.896 -14.162 1.00 5.90 N ATOM 0 H ARG A 97 -14.781 -0.101 -12.199 1.00 2.92 H new ATOM 0 HA ARG A 97 -15.298 -2.226 -12.390 1.00 2.40 H new ATOM 0 HB2 ARG A 97 -16.054 -1.342 -14.781 1.00 2.46 H new ATOM 0 HB3 ARG A 97 -14.733 -2.348 -15.341 1.00 2.46 H new ATOM 0 HG2 ARG A 97 -16.382 -3.812 -13.432 1.00 2.82 H new ATOM 0 HG3 ARG A 97 -17.378 -3.150 -14.712 1.00 2.82 H new ATOM 0 HD2 ARG A 97 -16.824 -5.018 -15.861 1.00 2.87 H new ATOM 0 HD3 ARG A 97 -15.301 -4.210 -16.174 1.00 2.87 H new ATOM 0 HE ARG A 97 -14.640 -5.397 -13.865 1.00 3.65 H new ATOM 0 HH11 ARG A 97 -16.211 -6.671 -16.745 1.00 4.56 H new ATOM 0 HH12 ARG A 97 -15.877 -8.353 -16.320 1.00 4.56 H new ATOM 0 HH21 ARG A 97 -14.370 -7.633 -13.279 1.00 5.90 H new ATOM 0 HH22 ARG A 97 -14.872 -8.879 -14.426 1.00 5.90 H new ATOM 1398 N GLY A 98 -12.195 -2.128 -12.994 1.00 1.87 N ATOM 1399 CA GLY A 98 -10.996 -2.692 -12.369 1.00 1.93 C ATOM 1400 C GLY A 98 -10.930 -2.288 -10.891 1.00 2.16 C ATOM 1401 O GLY A 98 -11.874 -1.693 -10.366 1.00 3.42 O ATOM 0 H GLY A 98 -12.047 -1.183 -13.349 1.00 1.87 H new ATOM 0 HA2 GLY A 98 -11.008 -3.778 -12.456 1.00 1.93 H new ATOM 0 HA3 GLY A 98 -10.106 -2.340 -12.890 1.00 1.93 H new ATOM 1405 N THR A 99 -9.820 -2.597 -10.215 1.00 1.59 N ATOM 1406 CA THR A 99 -9.677 -2.486 -8.753 1.00 1.72 C ATOM 1407 C THR A 99 -8.265 -2.869 -8.339 1.00 1.48 C ATOM 1408 O THR A 99 -8.052 -3.948 -7.786 1.00 1.88 O ATOM 1409 CB THR A 99 -10.788 -3.243 -7.995 1.00 2.19 C ATOM 1410 OG1 THR A 99 -10.484 -3.273 -6.626 1.00 3.44 O ATOM 1411 CG2 THR A 99 -11.044 -4.682 -8.455 1.00 2.60 C ATOM 0 H THR A 99 -8.976 -2.939 -10.674 1.00 1.59 H new ATOM 0 HA THR A 99 -9.819 -1.445 -8.462 1.00 1.72 H new ATOM 0 HB THR A 99 -11.699 -2.686 -8.214 1.00 2.19 H new ATOM 0 HG1 THR A 99 -11.190 -3.752 -6.145 1.00 3.44 H new ATOM 0 HG21 THR A 99 -11.843 -5.119 -7.856 1.00 2.60 H new ATOM 0 HG22 THR A 99 -11.336 -4.682 -9.505 1.00 2.60 H new ATOM 0 HG23 THR A 99 -10.135 -5.271 -8.332 1.00 2.60 H new ATOM 1419 N LEU A 100 -7.302 -1.980 -8.626 1.00 1.30 N ATOM 1420 CA LEU A 100 -5.903 -2.149 -8.201 1.00 1.33 C ATOM 1421 C LEU A 100 -5.868 -2.676 -6.765 1.00 1.26 C ATOM 1422 O LEU A 100 -6.480 -2.118 -5.850 1.00 1.30 O ATOM 1423 CB LEU A 100 -5.014 -0.901 -8.464 1.00 1.72 C ATOM 1424 CG LEU A 100 -3.850 -0.704 -7.459 1.00 2.63 C ATOM 1425 CD1 LEU A 100 -2.531 -0.247 -8.094 1.00 3.56 C ATOM 1426 CD2 LEU A 100 -4.213 0.293 -6.344 1.00 3.86 C ATOM 0 H LEU A 100 -7.470 -1.126 -9.158 1.00 1.30 H new ATOM 0 HA LEU A 100 -5.435 -2.903 -8.833 1.00 1.33 H new ATOM 0 HB2 LEU A 100 -4.598 -0.975 -9.469 1.00 1.72 H new ATOM 0 HB3 LEU A 100 -5.645 -0.013 -8.445 1.00 1.72 H new ATOM 0 HG LEU A 100 -3.696 -1.701 -7.047 1.00 2.63 H new ATOM 0 HD11 LEU A 100 -1.773 -0.135 -7.318 1.00 3.56 H new ATOM 0 HD12 LEU A 100 -2.200 -0.990 -8.820 1.00 3.56 H new ATOM 0 HD13 LEU A 100 -2.681 0.709 -8.596 1.00 3.56 H new ATOM 0 HD21 LEU A 100 -3.369 0.400 -5.663 1.00 3.86 H new ATOM 0 HD22 LEU A 100 -4.449 1.262 -6.785 1.00 3.86 H new ATOM 0 HD23 LEU A 100 -5.078 -0.076 -5.794 1.00 3.86 H new ATOM 1438 N THR A 101 -5.184 -3.810 -6.639 1.00 1.35 N ATOM 1439 CA THR A 101 -5.235 -4.745 -5.525 1.00 1.44 C ATOM 1440 C THR A 101 -3.879 -4.708 -4.844 1.00 1.37 C ATOM 1441 O THR A 101 -2.865 -4.732 -5.533 1.00 2.08 O ATOM 1442 CB THR A 101 -5.497 -6.148 -6.080 1.00 2.33 C ATOM 1443 OG1 THR A 101 -6.565 -6.122 -7.008 1.00 3.16 O ATOM 1444 CG2 THR A 101 -5.877 -7.123 -4.972 1.00 2.71 C ATOM 0 H THR A 101 -4.536 -4.119 -7.364 1.00 1.35 H new ATOM 0 HA THR A 101 -6.023 -4.486 -4.818 1.00 1.44 H new ATOM 0 HB THR A 101 -4.575 -6.474 -6.560 1.00 2.33 H new ATOM 0 HG1 THR A 101 -7.001 -5.245 -6.981 1.00 3.16 H new ATOM 0 HG21 THR A 101 -6.056 -8.109 -5.401 1.00 2.71 H new ATOM 0 HG22 THR A 101 -5.065 -7.184 -4.247 1.00 2.71 H new ATOM 0 HG23 THR A 101 -6.782 -6.774 -4.475 1.00 2.71 H new ATOM 1452 N LEU A 102 -3.879 -4.638 -3.514 1.00 1.12 N ATOM 1453 CA LEU A 102 -2.687 -4.476 -2.678 1.00 1.46 C ATOM 1454 C LEU A 102 -2.949 -5.118 -1.298 1.00 1.20 C ATOM 1455 O LEU A 102 -3.154 -4.445 -0.289 1.00 1.26 O ATOM 1456 CB LEU A 102 -2.311 -2.976 -2.626 1.00 2.13 C ATOM 1457 CG LEU A 102 -1.047 -2.591 -3.421 1.00 2.91 C ATOM 1458 CD1 LEU A 102 -1.036 -1.081 -3.702 1.00 4.04 C ATOM 1459 CD2 LEU A 102 0.227 -2.945 -2.637 1.00 3.81 C ATOM 0 H LEU A 102 -4.739 -4.694 -2.968 1.00 1.12 H new ATOM 0 HA LEU A 102 -1.823 -4.993 -3.094 1.00 1.46 H new ATOM 0 HB2 LEU A 102 -3.151 -2.393 -3.004 1.00 2.13 H new ATOM 0 HB3 LEU A 102 -2.168 -2.689 -1.584 1.00 2.13 H new ATOM 0 HG LEU A 102 -1.065 -3.150 -4.357 1.00 2.91 H new ATOM 0 HD11 LEU A 102 -0.139 -0.822 -4.264 1.00 4.04 H new ATOM 0 HD12 LEU A 102 -1.918 -0.813 -4.283 1.00 4.04 H new ATOM 0 HD13 LEU A 102 -1.043 -0.535 -2.758 1.00 4.04 H new ATOM 0 HD21 LEU A 102 1.103 -2.663 -3.220 1.00 3.81 H new ATOM 0 HD22 LEU A 102 0.233 -2.406 -1.690 1.00 3.81 H new ATOM 0 HD23 LEU A 102 0.249 -4.018 -2.444 1.00 3.81 H new ATOM 1471 N GLN A 103 -3.007 -6.446 -1.245 1.00 1.06 N ATOM 1472 CA GLN A 103 -3.284 -7.183 -0.002 1.00 1.08 C ATOM 1473 C GLN A 103 -2.446 -8.475 0.036 1.00 1.11 C ATOM 1474 O GLN A 103 -1.664 -8.755 -0.876 1.00 1.27 O ATOM 1475 CB GLN A 103 -4.804 -7.461 0.160 1.00 1.32 C ATOM 1476 CG GLN A 103 -5.736 -6.240 -0.014 1.00 1.79 C ATOM 1477 CD GLN A 103 -7.218 -6.586 -0.144 1.00 1.71 C ATOM 1478 OE1 GLN A 103 -8.040 -6.297 0.723 1.00 1.99 O ATOM 1479 NE2 GLN A 103 -7.614 -7.184 -1.247 1.00 2.83 N ATOM 0 H GLN A 103 -2.865 -7.046 -2.057 1.00 1.06 H new ATOM 0 HA GLN A 103 -2.991 -6.568 0.849 1.00 1.08 H new ATOM 0 HB2 GLN A 103 -5.094 -8.221 -0.565 1.00 1.32 H new ATOM 0 HB3 GLN A 103 -4.973 -7.884 1.150 1.00 1.32 H new ATOM 0 HG2 GLN A 103 -5.605 -5.575 0.839 1.00 1.79 H new ATOM 0 HG3 GLN A 103 -5.426 -5.686 -0.900 1.00 1.79 H new ATOM 0 HE21 GLN A 103 -6.935 -7.425 -1.968 1.00 2.83 H new ATOM 0 HE22 GLN A 103 -8.600 -7.406 -1.381 1.00 2.83 H new ATOM 1488 N ARG A 104 -2.620 -9.318 1.064 1.00 1.26 N ATOM 1489 CA ARG A 104 -1.973 -10.642 1.140 1.00 1.57 C ATOM 1490 C ARG A 104 -2.419 -11.635 0.040 1.00 1.82 C ATOM 1491 O ARG A 104 -2.118 -12.829 0.134 1.00 2.17 O ATOM 1492 CB ARG A 104 -2.155 -11.243 2.545 1.00 1.83 C ATOM 1493 CG ARG A 104 -3.587 -11.747 2.835 1.00 3.11 C ATOM 1494 CD ARG A 104 -3.643 -13.182 3.379 1.00 3.66 C ATOM 1495 NE ARG A 104 -3.064 -14.163 2.445 1.00 4.28 N ATOM 1496 CZ ARG A 104 -2.849 -15.456 2.671 1.00 4.80 C ATOM 1497 NH1 ARG A 104 -3.223 -16.056 3.786 1.00 4.86 N ATOM 1498 NH2 ARG A 104 -2.241 -16.163 1.744 1.00 5.80 N ATOM 0 H ARG A 104 -3.212 -9.104 1.867 1.00 1.26 H new ATOM 0 HA ARG A 104 -0.913 -10.473 0.951 1.00 1.57 H new ATOM 0 HB2 ARG A 104 -1.458 -12.072 2.667 1.00 1.83 H new ATOM 0 HB3 ARG A 104 -1.889 -10.491 3.288 1.00 1.83 H new ATOM 0 HG2 ARG A 104 -4.059 -11.077 3.554 1.00 3.11 H new ATOM 0 HG3 ARG A 104 -4.173 -11.693 1.918 1.00 3.11 H new ATOM 0 HD2 ARG A 104 -3.108 -13.229 4.327 1.00 3.66 H new ATOM 0 HD3 ARG A 104 -4.680 -13.449 3.584 1.00 3.66 H new ATOM 0 HE ARG A 104 -2.799 -13.812 1.525 1.00 4.28 H new ATOM 0 HH11 ARG A 104 -3.697 -15.525 4.516 1.00 4.86 H new ATOM 0 HH12 ARG A 104 -3.038 -17.050 3.917 1.00 4.86 H new ATOM 0 HH21 ARG A 104 -1.946 -15.718 0.875 1.00 5.80 H new ATOM 0 HH22 ARG A 104 -2.065 -17.156 1.894 1.00 5.80 H new ATOM 1512 N ASP A 105 -3.198 -11.176 -0.940 1.00 1.99 N ATOM 1513 CA ASP A 105 -3.751 -11.942 -2.053 1.00 2.29 C ATOM 1514 C ASP A 105 -2.786 -11.994 -3.251 1.00 2.10 C ATOM 1515 O ASP A 105 -2.598 -13.064 -3.839 1.00 2.29 O ATOM 1516 CB ASP A 105 -5.121 -11.347 -2.454 1.00 2.71 C ATOM 1517 CG ASP A 105 -5.194 -9.814 -2.615 1.00 4.27 C ATOM 1518 OD1 ASP A 105 -4.142 -9.152 -2.739 1.00 5.60 O ATOM 1519 OD2 ASP A 105 -6.330 -9.286 -2.542 1.00 4.95 O ATOM 0 H ASP A 105 -3.476 -10.195 -0.978 1.00 1.99 H new ATOM 0 HA ASP A 105 -3.892 -12.973 -1.729 1.00 2.29 H new ATOM 0 HB2 ASP A 105 -5.426 -11.802 -3.396 1.00 2.71 H new ATOM 0 HB3 ASP A 105 -5.853 -11.645 -1.704 1.00 2.71 H new ATOM 1524 N GLY A 106 -2.163 -10.860 -3.585 1.00 1.98 N ATOM 1525 CA GLY A 106 -1.330 -10.711 -4.773 1.00 2.07 C ATOM 1526 C GLY A 106 -0.302 -9.585 -4.763 1.00 2.21 C ATOM 1527 O GLY A 106 0.458 -9.555 -5.725 1.00 2.78 O ATOM 0 H GLY A 106 -2.227 -10.009 -3.026 1.00 1.98 H new ATOM 0 HA2 GLY A 106 -0.801 -11.650 -4.936 1.00 2.07 H new ATOM 0 HA3 GLY A 106 -1.987 -10.562 -5.630 1.00 2.07 H new ATOM 1531 N ASP A 107 -0.217 -8.713 -3.746 1.00 2.00 N ATOM 1532 CA ASP A 107 0.647 -7.515 -3.745 1.00 2.38 C ATOM 1533 C ASP A 107 0.643 -6.848 -2.364 1.00 1.59 C ATOM 1534 O ASP A 107 -0.401 -6.400 -1.923 1.00 1.55 O ATOM 1535 CB ASP A 107 0.150 -6.529 -4.836 1.00 3.45 C ATOM 1536 CG ASP A 107 1.015 -5.288 -5.099 1.00 4.96 C ATOM 1537 OD1 ASP A 107 2.104 -5.159 -4.490 1.00 5.68 O ATOM 1538 OD2 ASP A 107 0.602 -4.504 -5.982 1.00 5.92 O ATOM 0 H ASP A 107 -0.754 -8.820 -2.886 1.00 2.00 H new ATOM 0 HA ASP A 107 1.673 -7.808 -3.968 1.00 2.38 H new ATOM 0 HB2 ASP A 107 0.054 -7.079 -5.772 1.00 3.45 H new ATOM 0 HB3 ASP A 107 -0.849 -6.193 -4.559 1.00 3.45 H new ATOM 1543 N HIS A 108 1.763 -6.737 -1.649 1.00 1.36 N ATOM 1544 CA HIS A 108 1.759 -6.052 -0.344 1.00 1.10 C ATOM 1545 C HIS A 108 3.059 -5.295 -0.035 1.00 1.04 C ATOM 1546 O HIS A 108 4.133 -5.734 -0.451 1.00 1.22 O ATOM 1547 CB HIS A 108 1.353 -7.015 0.796 1.00 1.32 C ATOM 1548 CG HIS A 108 2.456 -7.811 1.471 1.00 1.69 C ATOM 1549 ND1 HIS A 108 3.683 -8.155 0.949 1.00 2.37 N ATOM 1550 CD2 HIS A 108 2.441 -8.280 2.760 1.00 2.42 C ATOM 1551 CE1 HIS A 108 4.382 -8.798 1.898 1.00 2.67 C ATOM 1552 NE2 HIS A 108 3.667 -8.897 3.034 1.00 2.71 N ATOM 0 H HIS A 108 2.670 -7.102 -1.938 1.00 1.36 H new ATOM 0 HA HIS A 108 0.995 -5.278 -0.413 1.00 1.10 H new ATOM 0 HB2 HIS A 108 0.843 -6.432 1.562 1.00 1.32 H new ATOM 0 HB3 HIS A 108 0.626 -7.721 0.396 1.00 1.32 H new ATOM 0 HD1 HIS A 108 4.006 -7.955 0.002 1.00 2.37 H new ATOM 0 HD2 HIS A 108 1.617 -8.188 3.452 1.00 2.42 H new ATOM 0 HE1 HIS A 108 5.382 -9.184 1.768 1.00 2.67 H new ATOM 1560 N VAL A 109 2.966 -4.194 0.724 1.00 0.94 N ATOM 1561 CA VAL A 109 4.123 -3.403 1.169 1.00 0.89 C ATOM 1562 C VAL A 109 4.475 -3.727 2.618 1.00 0.88 C ATOM 1563 O VAL A 109 3.765 -3.336 3.542 1.00 1.16 O ATOM 1564 CB VAL A 109 3.935 -1.892 0.909 1.00 0.94 C ATOM 1565 CG1 VAL A 109 2.577 -1.317 1.341 1.00 1.91 C ATOM 1566 CG2 VAL A 109 5.072 -1.052 1.522 1.00 1.78 C ATOM 0 H VAL A 109 2.074 -3.823 1.050 1.00 0.94 H new ATOM 0 HA VAL A 109 4.982 -3.692 0.563 1.00 0.89 H new ATOM 0 HB VAL A 109 3.966 -1.817 -0.178 1.00 0.94 H new ATOM 0 HG11 VAL A 109 2.545 -0.251 1.116 1.00 1.91 H new ATOM 0 HG12 VAL A 109 1.778 -1.826 0.801 1.00 1.91 H new ATOM 0 HG13 VAL A 109 2.443 -1.466 2.412 1.00 1.91 H new ATOM 0 HG21 VAL A 109 4.897 0.004 1.314 1.00 1.78 H new ATOM 0 HG22 VAL A 109 5.100 -1.210 2.600 1.00 1.78 H new ATOM 0 HG23 VAL A 109 6.024 -1.355 1.086 1.00 1.78 H new ATOM 1576 N MET A 110 5.604 -4.411 2.813 1.00 0.87 N ATOM 1577 CA MET A 110 6.241 -4.544 4.119 1.00 0.83 C ATOM 1578 C MET A 110 6.955 -3.249 4.503 1.00 0.70 C ATOM 1579 O MET A 110 7.667 -2.635 3.709 1.00 0.80 O ATOM 1580 CB MET A 110 7.190 -5.751 4.176 1.00 1.09 C ATOM 1581 CG MET A 110 6.383 -7.021 4.468 1.00 1.35 C ATOM 1582 SD MET A 110 7.339 -8.532 4.778 1.00 1.67 S ATOM 1583 CE MET A 110 8.226 -8.048 6.290 1.00 2.40 C ATOM 0 H MET A 110 6.103 -4.890 2.063 1.00 0.87 H new ATOM 0 HA MET A 110 5.457 -4.729 4.853 1.00 0.83 H new ATOM 0 HB2 MET A 110 7.722 -5.854 3.230 1.00 1.09 H new ATOM 0 HB3 MET A 110 7.943 -5.599 4.950 1.00 1.09 H new ATOM 0 HG2 MET A 110 5.752 -6.832 5.336 1.00 1.35 H new ATOM 0 HG3 MET A 110 5.718 -7.205 3.624 1.00 1.35 H new ATOM 0 HE1 MET A 110 8.648 -8.934 6.764 1.00 2.40 H new ATOM 0 HE2 MET A 110 9.028 -7.356 6.035 1.00 2.40 H new ATOM 0 HE3 MET A 110 7.534 -7.563 6.979 1.00 2.40 H new ATOM 1593 N LEU A 111 6.751 -2.856 5.758 1.00 0.68 N ATOM 1594 CA LEU A 111 7.322 -1.693 6.422 1.00 0.76 C ATOM 1595 C LEU A 111 8.656 -2.085 7.074 1.00 0.78 C ATOM 1596 O LEU A 111 8.811 -2.013 8.295 1.00 1.08 O ATOM 1597 CB LEU A 111 6.299 -1.154 7.447 1.00 0.93 C ATOM 1598 CG LEU A 111 4.877 -0.839 6.944 1.00 1.50 C ATOM 1599 CD1 LEU A 111 4.110 -0.070 8.029 1.00 2.71 C ATOM 1600 CD2 LEU A 111 4.885 0.016 5.676 1.00 1.79 C ATOM 0 H LEU A 111 6.137 -3.382 6.380 1.00 0.68 H new ATOM 0 HA LEU A 111 7.532 -0.896 5.708 1.00 0.76 H new ATOM 0 HB2 LEU A 111 6.216 -1.884 8.252 1.00 0.93 H new ATOM 0 HB3 LEU A 111 6.710 -0.243 7.883 1.00 0.93 H new ATOM 0 HG LEU A 111 4.400 -1.792 6.717 1.00 1.50 H new ATOM 0 HD11 LEU A 111 3.104 0.153 7.674 1.00 2.71 H new ATOM 0 HD12 LEU A 111 4.050 -0.678 8.932 1.00 2.71 H new ATOM 0 HD13 LEU A 111 4.631 0.861 8.252 1.00 2.71 H new ATOM 0 HD21 LEU A 111 3.860 0.210 5.362 1.00 1.79 H new ATOM 0 HD22 LEU A 111 5.388 0.962 5.878 1.00 1.79 H new ATOM 0 HD23 LEU A 111 5.413 -0.514 4.883 1.00 1.79 H new ATOM 1612 N MET A 112 9.597 -2.566 6.255 1.00 0.75 N ATOM 1613 CA MET A 112 10.846 -3.164 6.737 1.00 0.89 C ATOM 1614 C MET A 112 11.770 -2.102 7.337 1.00 1.02 C ATOM 1615 O MET A 112 12.080 -1.103 6.685 1.00 1.10 O ATOM 1616 CB MET A 112 11.532 -3.956 5.610 1.00 1.04 C ATOM 1617 CG MET A 112 12.714 -4.775 6.137 1.00 1.36 C ATOM 1618 SD MET A 112 13.678 -5.628 4.859 1.00 1.90 S ATOM 1619 CE MET A 112 14.939 -6.324 5.955 1.00 2.29 C ATOM 0 H MET A 112 9.514 -2.552 5.238 1.00 0.75 H new ATOM 0 HA MET A 112 10.610 -3.866 7.537 1.00 0.89 H new ATOM 0 HB2 MET A 112 10.808 -4.621 5.139 1.00 1.04 H new ATOM 0 HB3 MET A 112 11.880 -3.267 4.840 1.00 1.04 H new ATOM 0 HG2 MET A 112 13.378 -4.112 6.692 1.00 1.36 H new ATOM 0 HG3 MET A 112 12.339 -5.515 6.844 1.00 1.36 H new ATOM 0 HE1 MET A 112 15.653 -6.901 5.368 1.00 2.29 H new ATOM 0 HE2 MET A 112 15.461 -5.516 6.469 1.00 2.29 H new ATOM 0 HE3 MET A 112 14.464 -6.974 6.690 1.00 2.29 H new ATOM 1629 N GLY A 113 12.200 -2.290 8.586 1.00 1.15 N ATOM 1630 CA GLY A 113 12.991 -1.290 9.307 1.00 1.39 C ATOM 1631 C GLY A 113 12.139 -0.099 9.743 1.00 1.47 C ATOM 1632 O GLY A 113 12.513 1.054 9.494 1.00 1.91 O ATOM 0 H GLY A 113 12.011 -3.135 9.124 1.00 1.15 H new ATOM 0 HA2 GLY A 113 13.447 -1.750 10.183 1.00 1.39 H new ATOM 0 HA3 GLY A 113 13.804 -0.942 8.670 1.00 1.39 H new ATOM 1636 N LEU A 114 10.999 -0.378 10.382 1.00 1.23 N ATOM 1637 CA LEU A 114 10.222 0.588 11.151 1.00 1.26 C ATOM 1638 C LEU A 114 11.007 0.991 12.417 1.00 1.26 C ATOM 1639 O LEU A 114 12.166 0.618 12.595 1.00 2.14 O ATOM 1640 CB LEU A 114 8.861 -0.058 11.484 1.00 1.53 C ATOM 1641 CG LEU A 114 7.727 0.967 11.654 1.00 2.03 C ATOM 1642 CD1 LEU A 114 6.971 1.182 10.339 1.00 2.73 C ATOM 1643 CD2 LEU A 114 6.761 0.497 12.750 1.00 2.75 C ATOM 0 H LEU A 114 10.583 -1.309 10.376 1.00 1.23 H new ATOM 0 HA LEU A 114 10.045 1.502 10.584 1.00 1.26 H new ATOM 0 HB2 LEU A 114 8.594 -0.756 10.691 1.00 1.53 H new ATOM 0 HB3 LEU A 114 8.957 -0.639 12.401 1.00 1.53 H new ATOM 0 HG LEU A 114 8.168 1.920 11.946 1.00 2.03 H new ATOM 0 HD11 LEU A 114 6.176 1.912 10.492 1.00 2.73 H new ATOM 0 HD12 LEU A 114 7.660 1.550 9.579 1.00 2.73 H new ATOM 0 HD13 LEU A 114 6.538 0.237 10.009 1.00 2.73 H new ATOM 0 HD21 LEU A 114 5.960 1.227 12.866 1.00 2.75 H new ATOM 0 HD22 LEU A 114 6.336 -0.467 12.471 1.00 2.75 H new ATOM 0 HD23 LEU A 114 7.300 0.397 13.692 1.00 2.75 H new ATOM 1655 N LYS A 115 10.382 1.734 13.334 1.00 1.04 N ATOM 1656 CA LYS A 115 11.011 2.169 14.589 1.00 1.45 C ATOM 1657 C LYS A 115 9.974 2.657 15.608 1.00 1.59 C ATOM 1658 O LYS A 115 9.749 1.993 16.618 1.00 2.39 O ATOM 1659 CB LYS A 115 12.158 3.175 14.314 1.00 1.84 C ATOM 1660 CG LYS A 115 11.810 4.401 13.438 1.00 2.21 C ATOM 1661 CD LYS A 115 13.008 4.899 12.615 1.00 2.50 C ATOM 1662 CE LYS A 115 13.268 3.955 11.431 1.00 2.65 C ATOM 1663 NZ LYS A 115 14.492 4.327 10.680 1.00 3.55 N ATOM 0 H LYS A 115 9.419 2.054 13.228 1.00 1.04 H new ATOM 0 HA LYS A 115 11.480 1.306 15.061 1.00 1.45 H new ATOM 0 HB2 LYS A 115 12.531 3.536 15.272 1.00 1.84 H new ATOM 0 HB3 LYS A 115 12.976 2.636 13.836 1.00 1.84 H new ATOM 0 HG2 LYS A 115 10.994 4.141 12.764 1.00 2.21 H new ATOM 0 HG3 LYS A 115 11.451 5.209 14.076 1.00 2.21 H new ATOM 0 HD2 LYS A 115 12.813 5.907 12.250 1.00 2.50 H new ATOM 0 HD3 LYS A 115 13.895 4.954 13.247 1.00 2.50 H new ATOM 0 HE2 LYS A 115 13.364 2.933 11.797 1.00 2.65 H new ATOM 0 HE3 LYS A 115 12.411 3.973 10.758 1.00 2.65 H new ATOM 0 HZ1 LYS A 115 14.440 3.937 9.717 1.00 3.55 H new ATOM 0 HZ2 LYS A 115 14.567 5.363 10.630 1.00 3.55 H new ATOM 0 HZ3 LYS A 115 15.327 3.942 11.165 1.00 3.55 H new ATOM 1677 N ARG A 116 9.297 3.771 15.311 1.00 1.48 N ATOM 1678 CA ARG A 116 8.225 4.335 16.144 1.00 1.79 C ATOM 1679 C ARG A 116 6.952 3.458 16.012 1.00 1.48 C ATOM 1680 O ARG A 116 6.636 3.080 14.880 1.00 1.19 O ATOM 1681 CB ARG A 116 8.040 5.809 15.738 1.00 2.27 C ATOM 1682 CG ARG A 116 7.265 6.651 16.761 1.00 3.07 C ATOM 1683 CD ARG A 116 7.452 8.154 16.495 1.00 3.40 C ATOM 1684 NE ARG A 116 8.723 8.673 17.050 1.00 3.89 N ATOM 1685 CZ ARG A 116 8.852 9.583 18.016 1.00 4.58 C ATOM 1686 NH1 ARG A 116 7.826 10.090 18.668 1.00 4.97 N ATOM 1687 NH2 ARG A 116 10.058 10.001 18.321 1.00 5.49 N ATOM 0 H ARG A 116 9.481 4.318 14.470 1.00 1.48 H new ATOM 0 HA ARG A 116 8.470 4.325 17.206 1.00 1.79 H new ATOM 0 HB2 ARG A 116 9.021 6.258 15.584 1.00 2.27 H new ATOM 0 HB3 ARG A 116 7.518 5.848 14.782 1.00 2.27 H new ATOM 0 HG2 ARG A 116 6.205 6.399 16.716 1.00 3.07 H new ATOM 0 HG3 ARG A 116 7.607 6.411 17.768 1.00 3.07 H new ATOM 0 HD2 ARG A 116 7.427 8.336 15.421 1.00 3.40 H new ATOM 0 HD3 ARG A 116 6.618 8.704 16.931 1.00 3.40 H new ATOM 0 HE ARG A 116 9.585 8.297 16.654 1.00 3.89 H new ATOM 0 HH11 ARG A 116 6.878 9.788 18.442 1.00 4.97 H new ATOM 0 HH12 ARG A 116 7.979 10.784 19.399 1.00 4.97 H new ATOM 0 HH21 ARG A 116 10.867 9.630 17.823 1.00 5.49 H new ATOM 0 HH22 ARG A 116 10.186 10.697 19.056 1.00 5.49 H new ATOM 1701 N PRO A 117 6.278 3.058 17.117 1.00 1.79 N ATOM 1702 CA PRO A 117 5.282 1.977 17.121 1.00 1.57 C ATOM 1703 C PRO A 117 3.909 2.426 16.605 1.00 1.29 C ATOM 1704 O PRO A 117 3.639 3.621 16.538 1.00 1.79 O ATOM 1705 CB PRO A 117 5.196 1.513 18.580 1.00 2.30 C ATOM 1706 CG PRO A 117 5.491 2.791 19.358 1.00 2.81 C ATOM 1707 CD PRO A 117 6.548 3.473 18.490 1.00 2.54 C ATOM 0 HA PRO A 117 5.584 1.177 16.445 1.00 1.57 H new ATOM 0 HB2 PRO A 117 4.211 1.112 18.820 1.00 2.30 H new ATOM 0 HB3 PRO A 117 5.921 0.729 18.799 1.00 2.30 H new ATOM 0 HG2 PRO A 117 4.601 3.410 19.474 1.00 2.81 H new ATOM 0 HG3 PRO A 117 5.864 2.579 20.360 1.00 2.81 H new ATOM 0 HD2 PRO A 117 6.491 4.557 18.587 1.00 2.54 H new ATOM 0 HD3 PRO A 117 7.552 3.178 18.795 1.00 2.54 H new ATOM 1715 N LEU A 118 3.046 1.460 16.238 1.00 1.00 N ATOM 1716 CA LEU A 118 1.791 1.688 15.503 1.00 1.15 C ATOM 1717 C LEU A 118 0.669 0.747 15.999 1.00 1.25 C ATOM 1718 O LEU A 118 0.748 -0.471 15.825 1.00 1.54 O ATOM 1719 CB LEU A 118 2.063 1.475 13.994 1.00 1.54 C ATOM 1720 CG LEU A 118 3.147 2.367 13.351 1.00 1.50 C ATOM 1721 CD1 LEU A 118 3.378 1.921 11.900 1.00 2.41 C ATOM 1722 CD2 LEU A 118 2.772 3.856 13.347 1.00 1.78 C ATOM 0 H LEU A 118 3.208 0.476 16.450 1.00 1.00 H new ATOM 0 HA LEU A 118 1.449 2.708 15.678 1.00 1.15 H new ATOM 0 HB2 LEU A 118 2.346 0.433 13.843 1.00 1.54 H new ATOM 0 HB3 LEU A 118 1.129 1.632 13.455 1.00 1.54 H new ATOM 0 HG LEU A 118 4.049 2.252 13.953 1.00 1.50 H new ATOM 0 HD11 LEU A 118 4.143 2.549 11.444 1.00 2.41 H new ATOM 0 HD12 LEU A 118 3.707 0.882 11.887 1.00 2.41 H new ATOM 0 HD13 LEU A 118 2.449 2.015 11.338 1.00 2.41 H new ATOM 0 HD21 LEU A 118 3.573 4.432 12.883 1.00 1.78 H new ATOM 0 HD22 LEU A 118 1.850 3.997 12.784 1.00 1.78 H new ATOM 0 HD23 LEU A 118 2.627 4.197 14.372 1.00 1.78 H new ATOM 1734 N LYS A 119 -0.387 1.304 16.613 1.00 1.14 N ATOM 1735 CA LYS A 119 -1.523 0.564 17.205 1.00 1.20 C ATOM 1736 C LYS A 119 -2.859 0.899 16.497 1.00 0.92 C ATOM 1737 O LYS A 119 -3.071 2.041 16.097 1.00 0.99 O ATOM 1738 CB LYS A 119 -1.540 0.854 18.727 1.00 1.57 C ATOM 1739 CG LYS A 119 -2.581 0.063 19.549 1.00 2.51 C ATOM 1740 CD LYS A 119 -2.278 0.081 21.064 1.00 3.08 C ATOM 1741 CE LYS A 119 -3.373 -0.648 21.868 1.00 4.41 C ATOM 1742 NZ LYS A 119 -2.960 -0.978 23.261 1.00 5.11 N ATOM 0 H LYS A 119 -0.481 2.314 16.717 1.00 1.14 H new ATOM 0 HA LYS A 119 -1.397 -0.509 17.057 1.00 1.20 H new ATOM 0 HB2 LYS A 119 -0.549 0.642 19.129 1.00 1.57 H new ATOM 0 HB3 LYS A 119 -1.722 1.919 18.873 1.00 1.57 H new ATOM 0 HG2 LYS A 119 -3.572 0.483 19.375 1.00 2.51 H new ATOM 0 HG3 LYS A 119 -2.607 -0.969 19.199 1.00 2.51 H new ATOM 0 HD2 LYS A 119 -1.314 -0.392 21.249 1.00 3.08 H new ATOM 0 HD3 LYS A 119 -2.198 1.112 21.408 1.00 3.08 H new ATOM 0 HE2 LYS A 119 -4.267 -0.025 21.899 1.00 4.41 H new ATOM 0 HE3 LYS A 119 -3.644 -1.568 21.349 1.00 4.41 H new ATOM 0 HZ1 LYS A 119 -3.739 -1.466 23.748 1.00 5.11 H new ATOM 0 HZ2 LYS A 119 -2.124 -1.597 23.238 1.00 5.11 H new ATOM 0 HZ3 LYS A 119 -2.728 -0.102 23.771 1.00 5.11 H new ATOM 1756 N VAL A 120 -3.751 -0.100 16.390 1.00 1.20 N ATOM 1757 CA VAL A 120 -5.046 -0.212 15.655 1.00 1.23 C ATOM 1758 C VAL A 120 -5.829 1.075 15.342 1.00 1.27 C ATOM 1759 O VAL A 120 -6.406 1.195 14.268 1.00 1.81 O ATOM 1760 CB VAL A 120 -5.986 -1.205 16.406 1.00 1.35 C ATOM 1761 CG1 VAL A 120 -6.188 -0.869 17.896 1.00 1.60 C ATOM 1762 CG2 VAL A 120 -7.375 -1.394 15.767 1.00 2.36 C ATOM 0 H VAL A 120 -3.564 -0.974 16.882 1.00 1.20 H new ATOM 0 HA VAL A 120 -4.734 -0.563 14.671 1.00 1.23 H new ATOM 0 HB VAL A 120 -5.436 -2.141 16.315 1.00 1.35 H new ATOM 0 HG11 VAL A 120 -6.853 -1.605 18.348 1.00 1.60 H new ATOM 0 HG12 VAL A 120 -5.225 -0.888 18.407 1.00 1.60 H new ATOM 0 HG13 VAL A 120 -6.628 0.124 17.989 1.00 1.60 H new ATOM 0 HG21 VAL A 120 -7.955 -2.101 16.360 1.00 2.36 H new ATOM 0 HG22 VAL A 120 -7.894 -0.436 15.735 1.00 2.36 H new ATOM 0 HG23 VAL A 120 -7.260 -1.779 14.754 1.00 2.36 H new ATOM 1772 N GLY A 121 -5.892 1.997 16.298 1.00 1.21 N ATOM 1773 CA GLY A 121 -6.737 3.194 16.288 1.00 1.51 C ATOM 1774 C GLY A 121 -5.975 4.515 16.216 1.00 1.56 C ATOM 1775 O GLY A 121 -6.599 5.559 16.388 1.00 1.78 O ATOM 0 H GLY A 121 -5.328 1.929 17.145 1.00 1.21 H new ATOM 0 HA2 GLY A 121 -7.416 3.135 15.437 1.00 1.51 H new ATOM 0 HA3 GLY A 121 -7.353 3.194 17.187 1.00 1.51 H new ATOM 1779 N GLU A 122 -4.655 4.486 16.007 1.00 1.46 N ATOM 1780 CA GLU A 122 -3.817 5.662 15.780 1.00 1.43 C ATOM 1781 C GLU A 122 -3.544 5.840 14.267 1.00 1.35 C ATOM 1782 O GLU A 122 -3.632 4.892 13.471 1.00 1.41 O ATOM 1783 CB GLU A 122 -2.555 5.553 16.669 1.00 1.58 C ATOM 1784 CG GLU A 122 -1.785 6.883 16.765 1.00 1.69 C ATOM 1785 CD GLU A 122 -0.858 7.046 17.991 1.00 1.96 C ATOM 1786 OE1 GLU A 122 -0.854 6.203 18.913 1.00 2.62 O ATOM 1787 OE2 GLU A 122 -0.170 8.096 18.069 1.00 2.54 O ATOM 0 H GLU A 122 -4.126 3.614 15.991 1.00 1.46 H new ATOM 0 HA GLU A 122 -4.323 6.580 16.079 1.00 1.43 H new ATOM 0 HB2 GLU A 122 -2.846 5.232 17.669 1.00 1.58 H new ATOM 0 HB3 GLU A 122 -1.896 4.784 16.266 1.00 1.58 H new ATOM 0 HG2 GLU A 122 -1.184 6.997 15.863 1.00 1.69 H new ATOM 0 HG3 GLU A 122 -2.508 7.698 16.771 1.00 1.69 H new ATOM 1794 N THR A 123 -3.279 7.090 13.861 1.00 1.42 N ATOM 1795 CA THR A 123 -3.199 7.546 12.463 1.00 1.64 C ATOM 1796 C THR A 123 -1.773 7.961 12.091 1.00 1.40 C ATOM 1797 O THR A 123 -1.008 8.434 12.923 1.00 1.55 O ATOM 1798 CB THR A 123 -4.287 8.610 12.221 1.00 2.42 C ATOM 1799 OG1 THR A 123 -5.422 7.909 11.748 1.00 3.70 O ATOM 1800 CG2 THR A 123 -3.960 9.712 11.208 1.00 2.66 C ATOM 0 H THR A 123 -3.107 7.844 14.525 1.00 1.42 H new ATOM 0 HA THR A 123 -3.413 6.729 11.774 1.00 1.64 H new ATOM 0 HB THR A 123 -4.420 9.136 13.166 1.00 2.42 H new ATOM 0 HG1 THR A 123 -6.150 8.542 11.578 1.00 3.70 H new ATOM 0 HG21 THR A 123 -4.805 10.396 11.129 1.00 2.66 H new ATOM 0 HG22 THR A 123 -3.079 10.261 11.539 1.00 2.66 H new ATOM 0 HG23 THR A 123 -3.763 9.264 10.234 1.00 2.66 H new ATOM 1808 N VAL A 124 -1.429 7.720 10.828 1.00 1.20 N ATOM 1809 CA VAL A 124 -0.074 7.592 10.283 1.00 1.10 C ATOM 1810 C VAL A 124 0.061 8.355 8.959 1.00 1.08 C ATOM 1811 O VAL A 124 -0.934 8.762 8.356 1.00 1.23 O ATOM 1812 CB VAL A 124 0.287 6.096 10.087 1.00 1.22 C ATOM 1813 CG1 VAL A 124 -0.096 5.216 11.289 1.00 2.75 C ATOM 1814 CG2 VAL A 124 -0.280 5.431 8.820 1.00 2.71 C ATOM 0 H VAL A 124 -2.138 7.600 10.105 1.00 1.20 H new ATOM 0 HA VAL A 124 0.623 8.031 10.997 1.00 1.10 H new ATOM 0 HB VAL A 124 1.370 6.147 9.979 1.00 1.22 H new ATOM 0 HG11 VAL A 124 0.184 4.182 11.087 1.00 2.75 H new ATOM 0 HG12 VAL A 124 0.428 5.566 12.178 1.00 2.75 H new ATOM 0 HG13 VAL A 124 -1.172 5.275 11.455 1.00 2.75 H new ATOM 0 HG21 VAL A 124 0.034 4.388 8.785 1.00 2.71 H new ATOM 0 HG22 VAL A 124 -1.369 5.482 8.839 1.00 2.71 H new ATOM 0 HG23 VAL A 124 0.092 5.952 7.938 1.00 2.71 H new ATOM 1824 N ASN A 125 1.295 8.542 8.476 1.00 1.06 N ATOM 1825 CA ASN A 125 1.562 9.252 7.221 1.00 1.15 C ATOM 1826 C ASN A 125 1.956 8.281 6.087 1.00 1.12 C ATOM 1827 O ASN A 125 2.831 7.428 6.246 1.00 1.19 O ATOM 1828 CB ASN A 125 2.657 10.317 7.418 1.00 1.32 C ATOM 1829 CG ASN A 125 2.254 11.541 8.247 1.00 1.68 C ATOM 1830 OD1 ASN A 125 2.992 12.526 8.290 1.00 2.38 O ATOM 1831 ND2 ASN A 125 1.109 11.543 8.923 1.00 2.05 N ATOM 0 H ASN A 125 2.136 8.205 8.945 1.00 1.06 H new ATOM 0 HA ASN A 125 0.638 9.749 6.927 1.00 1.15 H new ATOM 0 HB2 ASN A 125 3.515 9.845 7.896 1.00 1.32 H new ATOM 0 HB3 ASN A 125 2.986 10.659 6.437 1.00 1.32 H new ATOM 0 HD21 ASN A 125 0.844 12.359 9.475 1.00 2.05 H new ATOM 0 HD22 ASN A 125 0.496 10.729 8.889 1.00 2.05 H new ATOM 1838 N ILE A 126 1.328 8.455 4.921 1.00 1.13 N ATOM 1839 CA ILE A 126 1.588 7.702 3.680 1.00 1.08 C ATOM 1840 C ILE A 126 1.916 8.675 2.537 1.00 1.03 C ATOM 1841 O ILE A 126 1.504 9.844 2.552 1.00 1.01 O ATOM 1842 CB ILE A 126 0.373 6.783 3.391 1.00 1.13 C ATOM 1843 CG1 ILE A 126 0.342 5.590 4.378 1.00 1.71 C ATOM 1844 CG2 ILE A 126 0.266 6.275 1.939 1.00 1.58 C ATOM 1845 CD1 ILE A 126 1.511 4.600 4.306 1.00 2.21 C ATOM 0 H ILE A 126 0.593 9.152 4.806 1.00 1.13 H new ATOM 0 HA ILE A 126 2.461 7.057 3.784 1.00 1.08 H new ATOM 0 HB ILE A 126 -0.499 7.420 3.539 1.00 1.13 H new ATOM 0 HG12 ILE A 126 0.297 5.989 5.391 1.00 1.71 H new ATOM 0 HG13 ILE A 126 -0.582 5.036 4.212 1.00 1.71 H new ATOM 0 HG21 ILE A 126 -0.615 5.641 1.839 1.00 1.58 H new ATOM 0 HG22 ILE A 126 0.181 7.125 1.262 1.00 1.58 H new ATOM 0 HG23 ILE A 126 1.157 5.699 1.688 1.00 1.58 H new ATOM 0 HD11 ILE A 126 1.368 3.814 5.048 1.00 2.21 H new ATOM 0 HD12 ILE A 126 1.552 4.157 3.311 1.00 2.21 H new ATOM 0 HD13 ILE A 126 2.445 5.124 4.508 1.00 2.21 H new ATOM 1857 N THR A 127 2.723 8.215 1.575 1.00 1.03 N ATOM 1858 CA THR A 127 3.322 9.037 0.520 1.00 0.92 C ATOM 1859 C THR A 127 3.333 8.243 -0.779 1.00 0.74 C ATOM 1860 O THR A 127 4.148 7.348 -0.959 1.00 1.07 O ATOM 1861 CB THR A 127 4.749 9.434 0.912 1.00 1.18 C ATOM 1862 OG1 THR A 127 4.759 10.014 2.191 1.00 1.91 O ATOM 1863 CG2 THR A 127 5.296 10.470 -0.055 1.00 1.39 C ATOM 0 H THR A 127 2.985 7.231 1.508 1.00 1.03 H new ATOM 0 HA THR A 127 2.737 9.947 0.385 1.00 0.92 H new ATOM 0 HB THR A 127 5.359 8.531 0.892 1.00 1.18 H new ATOM 0 HG1 THR A 127 5.676 10.262 2.431 1.00 1.91 H new ATOM 0 HG21 THR A 127 6.310 10.741 0.238 1.00 1.39 H new ATOM 0 HG22 THR A 127 5.308 10.056 -1.063 1.00 1.39 H new ATOM 0 HG23 THR A 127 4.663 11.357 -0.034 1.00 1.39 H new ATOM 1871 N LEU A 128 2.428 8.559 -1.701 1.00 0.70 N ATOM 1872 CA LEU A 128 2.328 7.939 -3.028 1.00 0.89 C ATOM 1873 C LEU A 128 3.223 8.666 -4.041 1.00 1.30 C ATOM 1874 O LEU A 128 3.695 9.767 -3.765 1.00 2.09 O ATOM 1875 CB LEU A 128 0.849 7.915 -3.477 1.00 1.31 C ATOM 1876 CG LEU A 128 -0.129 7.293 -2.450 1.00 1.41 C ATOM 1877 CD1 LEU A 128 -0.808 8.360 -1.574 1.00 2.03 C ATOM 1878 CD2 LEU A 128 -1.219 6.483 -3.164 1.00 2.39 C ATOM 0 H LEU A 128 1.719 9.276 -1.545 1.00 0.70 H new ATOM 0 HA LEU A 128 2.685 6.911 -2.974 1.00 0.89 H new ATOM 0 HB2 LEU A 128 0.531 8.936 -3.689 1.00 1.31 H new ATOM 0 HB3 LEU A 128 0.776 7.358 -4.411 1.00 1.31 H new ATOM 0 HG LEU A 128 0.467 6.643 -1.809 1.00 1.41 H new ATOM 0 HD11 LEU A 128 -1.484 7.876 -0.870 1.00 2.03 H new ATOM 0 HD12 LEU A 128 -0.049 8.916 -1.024 1.00 2.03 H new ATOM 0 HD13 LEU A 128 -1.373 9.045 -2.207 1.00 2.03 H new ATOM 0 HD21 LEU A 128 -1.896 6.054 -2.425 1.00 2.39 H new ATOM 0 HD22 LEU A 128 -1.779 7.137 -3.833 1.00 2.39 H new ATOM 0 HD23 LEU A 128 -0.758 5.682 -3.742 1.00 2.39 H new ATOM 1890 N LYS A 129 3.447 8.079 -5.224 1.00 1.29 N ATOM 1891 CA LYS A 129 4.171 8.736 -6.325 1.00 1.57 C ATOM 1892 C LYS A 129 3.403 8.641 -7.658 1.00 1.36 C ATOM 1893 O LYS A 129 3.014 7.556 -8.094 1.00 1.29 O ATOM 1894 CB LYS A 129 5.608 8.180 -6.434 1.00 1.99 C ATOM 1895 CG LYS A 129 6.435 8.464 -5.161 1.00 2.93 C ATOM 1896 CD LYS A 129 7.960 8.497 -5.344 1.00 3.39 C ATOM 1897 CE LYS A 129 8.532 7.215 -5.961 1.00 3.95 C ATOM 1898 NZ LYS A 129 10.013 7.183 -5.872 1.00 4.67 N ATOM 0 H LYS A 129 3.132 7.135 -5.447 1.00 1.29 H new ATOM 0 HA LYS A 129 4.244 9.799 -6.095 1.00 1.57 H new ATOM 0 HB2 LYS A 129 5.569 7.105 -6.609 1.00 1.99 H new ATOM 0 HB3 LYS A 129 6.105 8.625 -7.296 1.00 1.99 H new ATOM 0 HG2 LYS A 129 6.117 9.423 -4.751 1.00 2.93 H new ATOM 0 HG3 LYS A 129 6.194 7.704 -4.418 1.00 2.93 H new ATOM 0 HD2 LYS A 129 8.223 9.344 -5.978 1.00 3.39 H new ATOM 0 HD3 LYS A 129 8.430 8.665 -4.375 1.00 3.39 H new ATOM 0 HE2 LYS A 129 8.117 6.347 -5.449 1.00 3.95 H new ATOM 0 HE3 LYS A 129 8.228 7.145 -7.005 1.00 3.95 H new ATOM 0 HZ1 LYS A 129 10.367 6.303 -6.298 1.00 4.67 H new ATOM 0 HZ2 LYS A 129 10.409 7.999 -6.381 1.00 4.67 H new ATOM 0 HZ3 LYS A 129 10.302 7.225 -4.874 1.00 4.67 H new ATOM 1912 N ALA A 130 3.161 9.783 -8.303 1.00 1.54 N ATOM 1913 CA ALA A 130 2.555 9.892 -9.635 1.00 1.47 C ATOM 1914 C ALA A 130 3.645 9.901 -10.721 1.00 1.57 C ATOM 1915 O ALA A 130 4.635 10.608 -10.547 1.00 1.79 O ATOM 1916 CB ALA A 130 1.701 11.167 -9.678 1.00 1.70 C ATOM 0 H ALA A 130 3.389 10.692 -7.899 1.00 1.54 H new ATOM 0 HA ALA A 130 1.916 9.031 -9.832 1.00 1.47 H new ATOM 0 HB1 ALA A 130 1.242 11.265 -10.662 1.00 1.70 H new ATOM 0 HB2 ALA A 130 0.922 11.109 -8.918 1.00 1.70 H new ATOM 0 HB3 ALA A 130 2.332 12.034 -9.484 1.00 1.70 H new ATOM 1922 N THR A 131 3.450 9.130 -11.806 1.00 1.57 N ATOM 1923 CA THR A 131 4.404 8.923 -12.918 1.00 1.80 C ATOM 1924 C THR A 131 4.860 10.240 -13.533 1.00 2.01 C ATOM 1925 O THR A 131 6.012 10.622 -13.370 1.00 2.49 O ATOM 1926 CB THR A 131 3.863 7.917 -13.964 1.00 1.91 C ATOM 1927 OG1 THR A 131 4.699 7.892 -15.097 1.00 2.63 O ATOM 1928 CG2 THR A 131 2.419 8.117 -14.449 1.00 2.18 C ATOM 0 H THR A 131 2.584 8.609 -11.941 1.00 1.57 H new ATOM 0 HA THR A 131 5.299 8.466 -12.496 1.00 1.80 H new ATOM 0 HB THR A 131 3.859 6.976 -13.414 1.00 1.91 H new ATOM 0 HG1 THR A 131 4.420 8.591 -15.725 1.00 2.63 H new ATOM 0 HG21 THR A 131 2.170 7.345 -15.177 1.00 2.18 H new ATOM 0 HG22 THR A 131 1.738 8.049 -13.601 1.00 2.18 H new ATOM 0 HG23 THR A 131 2.324 9.099 -14.913 1.00 2.18 H new ATOM 1936 N ASP A 132 3.953 10.950 -14.195 1.00 2.07 N ATOM 1937 CA ASP A 132 4.259 12.146 -14.971 1.00 2.54 C ATOM 1938 C ASP A 132 4.053 13.400 -14.091 1.00 2.88 C ATOM 1939 O ASP A 132 3.430 14.386 -14.500 1.00 3.38 O ATOM 1940 CB ASP A 132 3.427 12.091 -16.270 1.00 2.65 C ATOM 1941 CG ASP A 132 3.910 11.013 -17.270 1.00 3.28 C ATOM 1942 OD1 ASP A 132 3.987 9.819 -16.897 1.00 4.18 O ATOM 1943 OD2 ASP A 132 4.159 11.399 -18.440 1.00 3.89 O ATOM 0 H ASP A 132 2.963 10.705 -14.207 1.00 2.07 H new ATOM 0 HA ASP A 132 5.303 12.199 -15.279 1.00 2.54 H new ATOM 0 HB2 ASP A 132 2.385 11.898 -16.016 1.00 2.65 H new ATOM 0 HB3 ASP A 132 3.462 13.066 -16.755 1.00 2.65 H new ATOM 1948 N GLY A 133 4.560 13.338 -12.850 1.00 2.99 N ATOM 1949 CA GLY A 133 4.314 14.330 -11.803 1.00 3.38 C ATOM 1950 C GLY A 133 5.376 14.364 -10.706 1.00 3.70 C ATOM 1951 O GLY A 133 6.362 15.091 -10.829 1.00 4.54 O ATOM 0 H GLY A 133 5.166 12.577 -12.544 1.00 2.99 H new ATOM 0 HA2 GLY A 133 4.251 15.317 -12.262 1.00 3.38 H new ATOM 0 HA3 GLY A 133 3.345 14.127 -11.348 1.00 3.38 H new ATOM 1955 N ARG A 134 5.101 13.709 -9.567 1.00 3.49 N ATOM 1956 CA ARG A 134 5.796 13.875 -8.285 1.00 4.02 C ATOM 1957 C ARG A 134 5.217 12.969 -7.186 1.00 4.00 C ATOM 1958 O ARG A 134 4.275 12.203 -7.392 1.00 4.47 O ATOM 1959 CB ARG A 134 5.809 15.375 -7.869 1.00 4.54 C ATOM 1960 CG ARG A 134 7.230 15.976 -7.921 1.00 6.12 C ATOM 1961 CD ARG A 134 7.244 17.414 -8.457 1.00 6.74 C ATOM 1962 NE ARG A 134 8.628 17.928 -8.575 1.00 8.24 N ATOM 1963 CZ ARG A 134 9.503 17.598 -9.522 1.00 9.49 C ATOM 1964 NH1 ARG A 134 9.198 16.843 -10.557 1.00 9.78 N ATOM 1965 NH2 ARG A 134 10.738 18.041 -9.458 1.00 10.85 N ATOM 0 H ARG A 134 4.353 13.018 -9.515 1.00 3.49 H new ATOM 0 HA ARG A 134 6.829 13.554 -8.418 1.00 4.02 H new ATOM 0 HB2 ARG A 134 5.152 15.940 -8.530 1.00 4.54 H new ATOM 0 HB3 ARG A 134 5.409 15.475 -6.860 1.00 4.54 H new ATOM 0 HG2 ARG A 134 7.664 15.961 -6.921 1.00 6.12 H new ATOM 0 HG3 ARG A 134 7.862 15.351 -8.552 1.00 6.12 H new ATOM 0 HD2 ARG A 134 6.757 17.446 -9.432 1.00 6.74 H new ATOM 0 HD3 ARG A 134 6.669 18.058 -7.792 1.00 6.74 H new ATOM 0 HE ARG A 134 8.938 18.594 -7.868 1.00 8.24 H new ATOM 0 HH11 ARG A 134 8.251 16.480 -10.662 1.00 9.78 H new ATOM 0 HH12 ARG A 134 9.909 16.621 -11.254 1.00 9.78 H new ATOM 0 HH21 ARG A 134 11.026 18.638 -8.683 1.00 10.85 H new ATOM 0 HH22 ARG A 134 11.409 17.788 -10.184 1.00 10.85 H new ATOM 1979 N THR A 135 5.831 13.074 -6.012 1.00 4.16 N ATOM 1980 CA THR A 135 5.473 12.556 -4.682 1.00 4.14 C ATOM 1981 C THR A 135 4.141 13.154 -4.189 1.00 2.36 C ATOM 1982 O THR A 135 3.793 14.252 -4.610 1.00 2.65 O ATOM 1983 CB THR A 135 6.615 12.988 -3.748 1.00 5.81 C ATOM 1984 OG1 THR A 135 7.881 12.818 -4.358 1.00 7.36 O ATOM 1985 CG2 THR A 135 6.637 12.234 -2.431 1.00 6.57 C ATOM 0 H THR A 135 6.708 13.592 -5.957 1.00 4.16 H new ATOM 0 HA THR A 135 5.344 11.474 -4.707 1.00 4.14 H new ATOM 0 HB THR A 135 6.420 14.042 -3.548 1.00 5.81 H new ATOM 0 HG1 THR A 135 8.584 13.104 -3.738 1.00 7.36 H new ATOM 0 HG21 THR A 135 7.468 12.590 -1.822 1.00 6.57 H new ATOM 0 HG22 THR A 135 5.700 12.402 -1.900 1.00 6.57 H new ATOM 0 HG23 THR A 135 6.759 11.168 -2.624 1.00 6.57 H new ATOM 1993 N LEU A 136 3.409 12.492 -3.274 1.00 1.57 N ATOM 1994 CA LEU A 136 2.070 12.916 -2.800 1.00 1.54 C ATOM 1995 C LEU A 136 1.745 12.383 -1.387 1.00 1.38 C ATOM 1996 O LEU A 136 1.593 11.186 -1.183 1.00 1.27 O ATOM 1997 CB LEU A 136 1.028 12.492 -3.864 1.00 3.38 C ATOM 1998 CG LEU A 136 -0.281 13.315 -3.901 1.00 4.43 C ATOM 1999 CD1 LEU A 136 -1.073 12.935 -5.163 1.00 6.51 C ATOM 2000 CD2 LEU A 136 -1.179 13.100 -2.675 1.00 4.83 C ATOM 0 H LEU A 136 3.734 11.632 -2.833 1.00 1.57 H new ATOM 0 HA LEU A 136 2.046 14.000 -2.690 1.00 1.54 H new ATOM 0 HB2 LEU A 136 1.497 12.550 -4.846 1.00 3.38 H new ATOM 0 HB3 LEU A 136 0.771 11.446 -3.695 1.00 3.38 H new ATOM 0 HG LEU A 136 0.009 14.366 -3.903 1.00 4.43 H new ATOM 0 HD11 LEU A 136 -1.998 13.510 -5.199 1.00 6.51 H new ATOM 0 HD12 LEU A 136 -0.475 13.154 -6.048 1.00 6.51 H new ATOM 0 HD13 LEU A 136 -1.308 11.871 -5.139 1.00 6.51 H new ATOM 0 HD21 LEU A 136 -2.078 13.709 -2.771 1.00 4.83 H new ATOM 0 HD22 LEU A 136 -1.459 12.049 -2.609 1.00 4.83 H new ATOM 0 HD23 LEU A 136 -0.639 13.389 -1.773 1.00 4.83 H new ATOM 2012 N ASN A 137 1.622 13.274 -0.393 1.00 1.64 N ATOM 2013 CA ASN A 137 1.458 12.997 1.036 1.00 1.60 C ATOM 2014 C ASN A 137 -0.033 12.950 1.403 1.00 1.67 C ATOM 2015 O ASN A 137 -0.783 13.890 1.150 1.00 2.08 O ATOM 2016 CB ASN A 137 2.205 14.100 1.817 1.00 1.73 C ATOM 2017 CG ASN A 137 2.126 13.997 3.342 1.00 2.26 C ATOM 2018 OD1 ASN A 137 1.532 13.096 3.924 1.00 3.47 O ATOM 2019 ND2 ASN A 137 2.747 14.933 4.047 1.00 2.47 N ATOM 0 H ASN A 137 1.636 14.276 -0.583 1.00 1.64 H new ATOM 0 HA ASN A 137 1.876 12.024 1.293 1.00 1.60 H new ATOM 0 HB2 ASN A 137 3.254 14.082 1.523 1.00 1.73 H new ATOM 0 HB3 ASN A 137 1.806 15.068 1.515 1.00 1.73 H new ATOM 0 HD21 ASN A 137 2.728 14.900 5.066 1.00 2.47 H new ATOM 0 HD22 ASN A 137 3.243 15.686 3.570 1.00 2.47 H new ATOM 2026 N VAL A 138 -0.438 11.838 2.003 1.00 1.40 N ATOM 2027 CA VAL A 138 -1.817 11.486 2.412 1.00 1.49 C ATOM 2028 C VAL A 138 -1.840 10.893 3.836 1.00 1.24 C ATOM 2029 O VAL A 138 -0.939 10.143 4.211 1.00 1.26 O ATOM 2030 CB VAL A 138 -2.435 10.481 1.404 1.00 1.81 C ATOM 2031 CG1 VAL A 138 -3.858 10.039 1.787 1.00 1.98 C ATOM 2032 CG2 VAL A 138 -2.494 11.079 -0.012 1.00 2.13 C ATOM 0 H VAL A 138 0.224 11.099 2.239 1.00 1.40 H new ATOM 0 HA VAL A 138 -2.412 12.399 2.415 1.00 1.49 H new ATOM 0 HB VAL A 138 -1.779 9.611 1.430 1.00 1.81 H new ATOM 0 HG11 VAL A 138 -4.234 9.337 1.043 1.00 1.98 H new ATOM 0 HG12 VAL A 138 -3.838 9.556 2.764 1.00 1.98 H new ATOM 0 HG13 VAL A 138 -4.512 10.910 1.826 1.00 1.98 H new ATOM 0 HG21 VAL A 138 -2.932 10.352 -0.696 1.00 2.13 H new ATOM 0 HG22 VAL A 138 -3.106 11.981 -0.001 1.00 2.13 H new ATOM 0 HG23 VAL A 138 -1.486 11.329 -0.344 1.00 2.13 H new ATOM 2042 N ALA A 139 -2.860 11.228 4.636 1.00 1.29 N ATOM 2043 CA ALA A 139 -3.084 10.637 5.968 1.00 1.23 C ATOM 2044 C ALA A 139 -3.822 9.288 5.884 1.00 1.35 C ATOM 2045 O ALA A 139 -4.794 9.154 5.139 1.00 1.62 O ATOM 2046 CB ALA A 139 -3.839 11.627 6.867 1.00 1.57 C ATOM 0 H ALA A 139 -3.561 11.923 4.378 1.00 1.29 H new ATOM 0 HA ALA A 139 -2.109 10.435 6.412 1.00 1.23 H new ATOM 0 HB1 ALA A 139 -3.998 11.179 7.848 1.00 1.57 H new ATOM 0 HB2 ALA A 139 -3.253 12.540 6.976 1.00 1.57 H new ATOM 0 HB3 ALA A 139 -4.802 11.866 6.416 1.00 1.57 H new ATOM 2052 N ALA A 140 -3.363 8.325 6.690 1.00 1.34 N ATOM 2053 CA ALA A 140 -3.729 6.907 6.682 1.00 1.31 C ATOM 2054 C ALA A 140 -3.771 6.350 8.122 1.00 1.10 C ATOM 2055 O ALA A 140 -3.445 7.082 9.062 1.00 1.14 O ATOM 2056 CB ALA A 140 -2.654 6.212 5.846 1.00 1.36 C ATOM 0 H ALA A 140 -2.677 8.532 7.416 1.00 1.34 H new ATOM 0 HA ALA A 140 -4.722 6.743 6.263 1.00 1.31 H new ATOM 0 HB1 ALA A 140 -2.865 5.144 5.797 1.00 1.36 H new ATOM 0 HB2 ALA A 140 -2.651 6.628 4.838 1.00 1.36 H new ATOM 0 HB3 ALA A 140 -1.678 6.368 6.306 1.00 1.36 H new ATOM 2062 N THR A 141 -4.097 5.068 8.345 1.00 0.97 N ATOM 2063 CA THR A 141 -4.322 4.536 9.714 1.00 0.93 C ATOM 2064 C THR A 141 -3.706 3.146 9.913 1.00 0.81 C ATOM 2065 O THR A 141 -3.262 2.491 8.970 1.00 0.81 O ATOM 2066 CB THR A 141 -5.836 4.543 10.030 1.00 1.19 C ATOM 2067 OG1 THR A 141 -6.427 5.739 9.550 1.00 1.38 O ATOM 2068 CG2 THR A 141 -6.208 4.505 11.519 1.00 1.40 C ATOM 0 H THR A 141 -4.212 4.376 7.604 1.00 0.97 H new ATOM 0 HA THR A 141 -3.810 5.190 10.420 1.00 0.93 H new ATOM 0 HB THR A 141 -6.194 3.631 9.552 1.00 1.19 H new ATOM 0 HG1 THR A 141 -6.191 6.482 10.144 1.00 1.38 H new ATOM 0 HG21 THR A 141 -7.293 4.513 11.623 1.00 1.40 H new ATOM 0 HG22 THR A 141 -5.807 3.598 11.971 1.00 1.40 H new ATOM 0 HG23 THR A 141 -5.788 5.377 12.021 1.00 1.40 H new ATOM 2076 N VAL A 142 -3.671 2.673 11.155 1.00 0.88 N ATOM 2077 CA VAL A 142 -3.413 1.266 11.499 1.00 0.86 C ATOM 2078 C VAL A 142 -4.755 0.496 11.538 1.00 1.09 C ATOM 2079 O VAL A 142 -5.820 1.108 11.477 1.00 1.61 O ATOM 2080 CB VAL A 142 -2.646 1.197 12.849 1.00 1.04 C ATOM 2081 CG1 VAL A 142 -2.053 -0.183 13.185 1.00 1.45 C ATOM 2082 CG2 VAL A 142 -1.477 2.197 12.921 1.00 1.28 C ATOM 0 H VAL A 142 -3.824 3.264 11.972 1.00 0.88 H new ATOM 0 HA VAL A 142 -2.785 0.792 10.744 1.00 0.86 H new ATOM 0 HB VAL A 142 -3.425 1.440 13.572 1.00 1.04 H new ATOM 0 HG11 VAL A 142 -1.537 -0.134 14.144 1.00 1.45 H new ATOM 0 HG12 VAL A 142 -2.855 -0.919 13.242 1.00 1.45 H new ATOM 0 HG13 VAL A 142 -1.347 -0.475 12.408 1.00 1.45 H new ATOM 0 HG21 VAL A 142 -0.978 2.104 13.886 1.00 1.28 H new ATOM 0 HG22 VAL A 142 -0.766 1.984 12.123 1.00 1.28 H new ATOM 0 HG23 VAL A 142 -1.858 3.212 12.806 1.00 1.28 H new ATOM 2092 N LYS A 143 -4.737 -0.837 11.682 1.00 1.11 N ATOM 2093 CA LYS A 143 -5.858 -1.651 12.185 1.00 1.26 C ATOM 2094 C LYS A 143 -5.380 -3.063 12.637 1.00 1.47 C ATOM 2095 O LYS A 143 -4.198 -3.390 12.514 1.00 2.52 O ATOM 2096 CB LYS A 143 -6.997 -1.714 11.133 1.00 1.64 C ATOM 2097 CG LYS A 143 -8.422 -1.790 11.719 1.00 1.71 C ATOM 2098 CD LYS A 143 -9.380 -0.821 11.000 1.00 1.92 C ATOM 2099 CE LYS A 143 -10.825 -1.035 11.473 1.00 2.41 C ATOM 2100 NZ LYS A 143 -11.747 0.028 11.000 1.00 2.96 N ATOM 0 H LYS A 143 -3.918 -1.397 11.445 1.00 1.11 H new ATOM 0 HA LYS A 143 -6.265 -1.169 13.074 1.00 1.26 H new ATOM 0 HB2 LYS A 143 -6.930 -0.834 10.494 1.00 1.64 H new ATOM 0 HB3 LYS A 143 -6.835 -2.584 10.496 1.00 1.64 H new ATOM 0 HG2 LYS A 143 -8.799 -2.809 11.631 1.00 1.71 H new ATOM 0 HG3 LYS A 143 -8.393 -1.552 12.782 1.00 1.71 H new ATOM 0 HD2 LYS A 143 -9.077 0.208 11.194 1.00 1.92 H new ATOM 0 HD3 LYS A 143 -9.318 -0.974 9.923 1.00 1.92 H new ATOM 0 HE2 LYS A 143 -11.180 -2.002 11.117 1.00 2.41 H new ATOM 0 HE3 LYS A 143 -10.845 -1.069 12.562 1.00 2.41 H new ATOM 0 HZ1 LYS A 143 -12.708 -0.166 11.348 1.00 2.96 H new ATOM 0 HZ2 LYS A 143 -11.428 0.950 11.360 1.00 2.96 H new ATOM 0 HZ3 LYS A 143 -11.752 0.046 9.960 1.00 2.96 H new ATOM 2114 N LYS A 144 -6.285 -3.899 13.165 1.00 1.76 N ATOM 2115 CA LYS A 144 -6.035 -5.296 13.593 1.00 1.99 C ATOM 2116 C LYS A 144 -6.739 -6.329 12.675 1.00 2.25 C ATOM 2117 O LYS A 144 -7.897 -6.138 12.291 1.00 3.12 O ATOM 2118 CB LYS A 144 -6.408 -5.443 15.086 1.00 2.78 C ATOM 2119 CG LYS A 144 -7.867 -5.084 15.443 1.00 3.74 C ATOM 2120 CD LYS A 144 -8.058 -4.814 16.947 1.00 4.75 C ATOM 2121 CE LYS A 144 -8.006 -6.058 17.836 1.00 5.59 C ATOM 2122 NZ LYS A 144 -9.192 -6.920 17.646 1.00 6.25 N ATOM 0 H LYS A 144 -7.253 -3.615 13.315 1.00 1.76 H new ATOM 0 HA LYS A 144 -4.973 -5.519 13.488 1.00 1.99 H new ATOM 0 HB2 LYS A 144 -6.220 -6.473 15.390 1.00 2.78 H new ATOM 0 HB3 LYS A 144 -5.742 -4.811 15.673 1.00 2.78 H new ATOM 0 HG2 LYS A 144 -8.169 -4.202 14.878 1.00 3.74 H new ATOM 0 HG3 LYS A 144 -8.523 -5.899 15.137 1.00 3.74 H new ATOM 0 HD2 LYS A 144 -7.288 -4.117 17.277 1.00 4.75 H new ATOM 0 HD3 LYS A 144 -9.019 -4.320 17.094 1.00 4.75 H new ATOM 0 HE2 LYS A 144 -7.104 -6.627 17.612 1.00 5.59 H new ATOM 0 HE3 LYS A 144 -7.941 -5.755 18.881 1.00 5.59 H new ATOM 0 HZ1 LYS A 144 -9.153 -7.716 18.314 1.00 6.25 H new ATOM 0 HZ2 LYS A 144 -10.055 -6.366 17.818 1.00 6.25 H new ATOM 0 HZ3 LYS A 144 -9.204 -7.285 16.672 1.00 6.25 H new ATOM 2136 N ASN A 145 -6.033 -7.396 12.279 1.00 2.20 N ATOM 2137 CA ASN A 145 -6.431 -8.301 11.179 1.00 2.84 C ATOM 2138 C ASN A 145 -5.561 -9.575 11.047 1.00 2.68 C ATOM 2139 O ASN A 145 -5.696 -10.285 10.055 1.00 3.55 O ATOM 2140 CB ASN A 145 -6.455 -7.528 9.827 1.00 3.73 C ATOM 2141 CG ASN A 145 -7.648 -7.879 8.926 1.00 4.79 C ATOM 2142 OD1 ASN A 145 -7.517 -8.268 7.771 1.00 5.28 O ATOM 2143 ND2 ASN A 145 -8.844 -7.687 9.432 1.00 5.76 N ATOM 0 H ASN A 145 -5.152 -7.664 12.718 1.00 2.20 H new ATOM 0 HA ASN A 145 -7.431 -8.651 11.436 1.00 2.84 H new ATOM 0 HB2 ASN A 145 -6.471 -6.458 10.033 1.00 3.73 H new ATOM 0 HB3 ASN A 145 -5.532 -7.735 9.286 1.00 3.73 H new ATOM 0 HD21 ASN A 145 -9.672 -7.862 8.863 1.00 5.76 H new ATOM 0 HD22 ASN A 145 -8.945 -7.363 10.394 1.00 5.76 H new ATOM 2150 N ILE A 146 -4.624 -9.830 11.977 1.00 2.31 N ATOM 2151 CA ILE A 146 -3.542 -10.842 11.869 1.00 2.69 C ATOM 2152 C ILE A 146 -2.677 -10.962 13.140 1.00 3.01 C ATOM 2153 O ILE A 146 -2.509 -12.065 13.650 1.00 3.79 O ATOM 2154 CB ILE A 146 -2.678 -10.611 10.589 1.00 2.93 C ATOM 2155 CG1 ILE A 146 -1.606 -11.711 10.456 1.00 4.35 C ATOM 2156 CG2 ILE A 146 -2.051 -9.201 10.522 1.00 3.69 C ATOM 2157 CD1 ILE A 146 -0.863 -11.714 9.111 1.00 5.08 C ATOM 0 H ILE A 146 -4.593 -9.321 12.860 1.00 2.31 H new ATOM 0 HA ILE A 146 -4.038 -11.808 11.770 1.00 2.69 H new ATOM 0 HB ILE A 146 -3.355 -10.675 9.737 1.00 2.93 H new ATOM 0 HG12 ILE A 146 -0.879 -11.591 11.259 1.00 4.35 H new ATOM 0 HG13 ILE A 146 -2.080 -12.682 10.598 1.00 4.35 H new ATOM 0 HG21 ILE A 146 -1.464 -9.107 9.609 1.00 3.69 H new ATOM 0 HG22 ILE A 146 -2.842 -8.451 10.524 1.00 3.69 H new ATOM 0 HG23 ILE A 146 -1.404 -9.049 11.386 1.00 3.69 H new ATOM 0 HD11 ILE A 146 -0.128 -12.519 9.103 1.00 5.08 H new ATOM 0 HD12 ILE A 146 -1.577 -11.867 8.301 1.00 5.08 H new ATOM 0 HD13 ILE A 146 -0.357 -10.759 8.973 1.00 5.08 H new ATOM 2169 N GLU A 147 -2.154 -9.841 13.655 1.00 2.91 N ATOM 2170 CA GLU A 147 -1.353 -9.663 14.875 1.00 3.77 C ATOM 2171 C GLU A 147 -0.223 -10.693 15.168 1.00 3.69 C ATOM 2172 O GLU A 147 0.232 -10.863 16.303 1.00 4.82 O ATOM 2173 CB GLU A 147 -2.266 -9.253 16.047 1.00 5.13 C ATOM 2174 CG GLU A 147 -3.567 -10.055 16.259 1.00 6.13 C ATOM 2175 CD GLU A 147 -4.767 -9.615 15.395 1.00 7.29 C ATOM 2176 OE1 GLU A 147 -4.650 -8.726 14.511 1.00 7.91 O ATOM 2177 OE2 GLU A 147 -5.871 -10.176 15.602 1.00 8.08 O ATOM 0 H GLU A 147 -2.295 -8.949 13.182 1.00 2.91 H new ATOM 0 HA GLU A 147 -0.685 -8.824 14.682 1.00 3.77 H new ATOM 0 HB2 GLU A 147 -1.681 -9.314 16.965 1.00 5.13 H new ATOM 0 HB3 GLU A 147 -2.536 -8.206 15.911 1.00 5.13 H new ATOM 0 HG2 GLU A 147 -3.362 -11.106 16.057 1.00 6.13 H new ATOM 0 HG3 GLU A 147 -3.851 -9.982 17.309 1.00 6.13 H new