USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 644 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 49 HIS : no HD1:sc= 0.0801 K(o=0.27,f=1.5) USER MOD Set 1.2: A 112 GLN : amide:sc= 0.192 K(o=0.27,f=1.5) USER MOD Set 2.1: A 106 LYS NZ :NH3+ 173:sc= -1.29 (180deg=-1.39) USER MOD Set 2.2: A 109 THR OG1 : rot 110:sc= 1.19 USER MOD Set 3.1: A 43 LYS NZ :NH3+ -115:sc= 0 (180deg=0) USER MOD Set 3.2: A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.1: A 35 SER OG : rot 90:sc= -0.232 USER MOD Set 4.2: A 36 THR OG1 : rot 180:sc= 0.029 USER MOD Set 5.1: A 28 CYS SG : rot 180:sc= 0 USER MOD Set 5.2: A 34 THR OG1 : rot -26:sc= 0.0919 USER MOD Single : A 21 LYS NZ :NH3+ -125:sc= -0.361 (180deg=-2.06!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 72:sc= 0.0695 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.266 K(o=-0.27,f=-2.5!) USER MOD Single : A 57 GLN : amide:sc= -0.38 K(o=-0.38,f=-2.8!) USER MOD Single : A 58 CYS SG : rot -10:sc= -0.0851 USER MOD Single : A 61 ASN : amide:sc= -0.861 K(o=-0.86,f=-5.8!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0027 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -130:sc= -0.707 (180deg=-1.77!) USER MOD Single : A 71 HIS : no HD1:sc= -2.14! K(o=-2.1!,f=-1) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00978 USER MOD Single : A 90 HIS : no HD1:sc= -0.0125 X(o=-0.013,f=0) USER MOD Single : A 92 MET CE :methyl -132:sc= -2.2! (180deg=-4.78!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -1.33 K(o=-1.3,f=-3.4!) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 317 N LYS A 21 3.650 -1.293 -3.105 1.00 0.00 N ATOM 318 CA LYS A 21 3.557 -1.318 -1.649 1.00 0.00 C ATOM 319 C LYS A 21 2.159 -1.733 -1.208 1.00 0.00 C ATOM 320 O LYS A 21 1.948 -2.862 -0.766 1.00 0.00 O ATOM 321 CB LYS A 21 3.914 0.050 -1.058 1.00 0.00 C ATOM 322 CG LYS A 21 4.901 -0.023 0.100 1.00 0.00 C ATOM 323 CD LYS A 21 4.267 0.427 1.409 1.00 0.00 C ATOM 324 CE LYS A 21 4.309 1.943 1.558 1.00 0.00 C ATOM 325 NZ LYS A 21 4.407 2.365 2.985 1.00 0.00 N ATOM 0 HA LYS A 21 4.272 -2.052 -1.277 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.335 0.677 -1.844 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.001 0.538 -0.716 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.265 -1.045 0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.766 0.602 -0.119 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.233 0.085 1.450 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.790 -0.036 2.246 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.161 2.338 1.005 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.413 2.375 1.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.630 3.020 3.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.342 1.529 3.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.318 2.841 3.144 1.00 0.00 H new ATOM 339 N ARG A 22 1.206 -0.811 -1.317 1.00 0.00 N ATOM 340 CA ARG A 22 -0.169 -1.085 -0.918 1.00 0.00 C ATOM 341 C ARG A 22 -1.146 -0.790 -2.051 1.00 0.00 C ATOM 342 O ARG A 22 -0.844 -0.016 -2.962 1.00 0.00 O ATOM 343 CB ARG A 22 -0.539 -0.241 0.303 1.00 0.00 C ATOM 344 CG ARG A 22 0.536 -0.218 1.377 1.00 0.00 C ATOM 345 CD ARG A 22 1.023 1.197 1.649 1.00 0.00 C ATOM 346 NE ARG A 22 1.581 1.338 2.993 1.00 0.00 N ATOM 347 CZ ARG A 22 0.946 1.919 4.011 1.00 0.00 C ATOM 348 NH1 ARG A 22 -0.280 2.404 3.856 1.00 0.00 N ATOM 349 NH2 ARG A 22 1.537 2.009 5.194 1.00 0.00 N ATOM 0 H ARG A 22 1.362 0.130 -1.678 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.238 -2.144 -0.670 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.740 0.781 -0.020 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.463 -0.627 0.734 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.142 -0.651 2.296 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.376 -0.839 1.066 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.780 1.467 0.913 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.195 1.895 1.526 1.00 0.00 H new ATOM 0 HE ARG A 22 2.516 0.968 3.163 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.745 2.334 2.951 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.757 2.847 4.642 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.477 1.634 5.325 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.052 2.453 5.974 1.00 0.00 H new ATOM 363 N LYS A 23 -2.318 -1.415 -1.990 1.00 0.00 N ATOM 364 CA LYS A 23 -3.340 -1.217 -3.008 1.00 0.00 C ATOM 365 C LYS A 23 -4.727 -1.102 -2.377 1.00 0.00 C ATOM 366 O LYS A 23 -5.148 -1.969 -1.608 1.00 0.00 O ATOM 367 CB LYS A 23 -3.310 -2.364 -4.017 1.00 0.00 C ATOM 368 CG LYS A 23 -2.583 -2.007 -5.303 1.00 0.00 C ATOM 369 CD LYS A 23 -3.436 -2.295 -6.532 1.00 0.00 C ATOM 370 CE LYS A 23 -2.716 -3.212 -7.503 1.00 0.00 C ATOM 371 NZ LYS A 23 -2.711 -4.621 -7.025 1.00 0.00 N ATOM 0 H LYS A 23 -2.582 -2.062 -1.247 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.126 -0.283 -3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.827 -3.228 -3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.332 -2.658 -4.254 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.313 -0.951 -5.287 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.653 -2.573 -5.365 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.376 -2.754 -6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.686 -1.359 -7.031 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.198 -3.160 -8.479 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.690 -2.869 -7.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.211 -5.219 -7.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.229 -4.674 -6.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.690 -4.956 -6.922 1.00 0.00 H new ATOM 385 N ILE A 24 -5.428 -0.016 -2.691 1.00 0.00 N ATOM 386 CA ILE A 24 -6.761 0.224 -2.146 1.00 0.00 C ATOM 387 C ILE A 24 -7.828 0.096 -3.222 1.00 0.00 C ATOM 388 O ILE A 24 -7.576 0.404 -4.384 1.00 0.00 O ATOM 389 CB ILE A 24 -6.871 1.633 -1.539 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.582 2.007 -0.808 1.00 0.00 C ATOM 391 CG2 ILE A 24 -8.069 1.716 -0.607 1.00 0.00 C ATOM 392 CD1 ILE A 24 -5.515 3.469 -0.422 1.00 0.00 C ATOM 0 H ILE A 24 -5.094 0.713 -3.321 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.919 -0.528 -1.373 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.018 2.349 -2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.492 1.397 0.091 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.729 1.767 -1.443 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.133 2.719 -0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.980 1.498 -1.165 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.954 0.991 0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.575 3.667 0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.574 4.085 -1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.348 3.709 0.239 1.00 0.00 H new ATOM 404 N ILE A 25 -9.033 -0.322 -2.833 1.00 0.00 N ATOM 405 CA ILE A 25 -10.134 -0.450 -3.782 1.00 0.00 C ATOM 406 C ILE A 25 -11.285 0.473 -3.397 1.00 0.00 C ATOM 407 O ILE A 25 -11.566 0.662 -2.213 1.00 0.00 O ATOM 408 CB ILE A 25 -10.692 -1.886 -3.862 1.00 0.00 C ATOM 409 CG1 ILE A 25 -9.556 -2.922 -3.817 1.00 0.00 C ATOM 410 CG2 ILE A 25 -11.545 -2.039 -5.119 1.00 0.00 C ATOM 411 CD1 ILE A 25 -9.939 -4.284 -4.363 1.00 0.00 C ATOM 0 H ILE A 25 -9.268 -0.576 -1.874 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.721 -0.179 -4.753 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.325 -2.070 -2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.708 -2.540 -4.385 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.223 -3.036 -2.785 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.937 -3.055 -5.171 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.374 -1.332 -5.085 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.934 -1.840 -6.000 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.084 -4.957 -4.296 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.766 -4.690 -3.781 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.242 -4.186 -5.405 1.00 0.00 H new ATOM 423 N VAL A 26 -11.969 1.020 -4.395 1.00 0.00 N ATOM 424 CA VAL A 26 -13.116 1.892 -4.141 1.00 0.00 C ATOM 425 C VAL A 26 -14.340 1.399 -4.899 1.00 0.00 C ATOM 426 O VAL A 26 -14.352 1.382 -6.130 1.00 0.00 O ATOM 427 CB VAL A 26 -12.845 3.359 -4.530 1.00 0.00 C ATOM 428 CG1 VAL A 26 -12.063 4.065 -3.437 1.00 0.00 C ATOM 429 CG2 VAL A 26 -12.114 3.444 -5.858 1.00 0.00 C ATOM 0 H VAL A 26 -11.754 0.878 -5.382 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.297 1.855 -3.067 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.805 3.862 -4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.881 5.099 -3.730 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.635 4.046 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.110 3.558 -3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.935 4.490 -6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.161 2.921 -5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.720 2.983 -6.637 1.00 0.00 H new ATOM 439 N ALA A 27 -15.367 0.989 -4.161 1.00 0.00 N ATOM 440 CA ALA A 27 -16.585 0.488 -4.781 1.00 0.00 C ATOM 441 C ALA A 27 -17.751 1.453 -4.606 1.00 0.00 C ATOM 442 O ALA A 27 -18.104 1.830 -3.488 1.00 0.00 O ATOM 443 CB ALA A 27 -16.932 -0.886 -4.224 1.00 0.00 C ATOM 0 H ALA A 27 -15.379 0.994 -3.141 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.400 0.399 -5.852 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.845 -1.250 -4.696 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -16.116 -1.579 -4.430 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -17.084 -0.814 -3.147 1.00 0.00 H new ATOM 449 N CYS A 28 -18.334 1.856 -5.730 1.00 0.00 N ATOM 450 CA CYS A 28 -19.456 2.786 -5.721 1.00 0.00 C ATOM 451 C CYS A 28 -20.511 2.383 -6.746 1.00 0.00 C ATOM 452 O CYS A 28 -21.642 2.049 -6.391 1.00 0.00 O ATOM 453 CB CYS A 28 -18.961 4.206 -6.010 1.00 0.00 C ATOM 454 SG CYS A 28 -19.175 5.356 -4.631 1.00 0.00 S ATOM 0 H CYS A 28 -18.047 1.552 -6.660 1.00 0.00 H new ATOM 0 HA CYS A 28 -19.914 2.758 -4.732 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.904 4.164 -6.274 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -19.492 4.595 -6.879 1.00 0.00 H new ATOM 0 HG CYS A 28 -18.726 6.528 -4.970 1.00 0.00 H new ATOM 510 N THR A 34 -19.250 11.309 -7.552 1.00 0.00 N ATOM 511 CA THR A 34 -18.657 10.669 -6.379 1.00 0.00 C ATOM 512 C THR A 34 -17.305 10.053 -6.712 1.00 0.00 C ATOM 513 O THR A 34 -16.346 10.194 -5.954 1.00 0.00 O ATOM 514 CB THR A 34 -19.595 9.593 -5.823 1.00 0.00 C ATOM 515 OG1 THR A 34 -19.928 8.640 -6.820 1.00 0.00 O ATOM 516 CG2 THR A 34 -20.887 10.155 -5.275 1.00 0.00 C ATOM 0 HA THR A 34 -18.507 11.439 -5.622 1.00 0.00 H new ATOM 0 HB THR A 34 -19.042 9.126 -5.008 1.00 0.00 H new ATOM 0 HG1 THR A 34 -19.863 9.056 -7.705 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.506 9.342 -4.897 1.00 0.00 H new ATOM 0 HG22 THR A 34 -20.667 10.850 -4.465 1.00 0.00 H new ATOM 0 HG23 THR A 34 -21.421 10.679 -6.068 1.00 0.00 H new ATOM 524 N SER A 35 -17.233 9.368 -7.849 1.00 0.00 N ATOM 525 CA SER A 35 -15.993 8.732 -8.278 1.00 0.00 C ATOM 526 C SER A 35 -14.952 9.779 -8.649 1.00 0.00 C ATOM 527 O SER A 35 -13.834 9.766 -8.135 1.00 0.00 O ATOM 528 CB SER A 35 -16.247 7.806 -9.470 1.00 0.00 C ATOM 529 OG SER A 35 -16.652 8.541 -10.613 1.00 0.00 O ATOM 0 H SER A 35 -18.017 9.239 -8.488 1.00 0.00 H new ATOM 0 HA SER A 35 -15.613 8.139 -7.446 1.00 0.00 H new ATOM 0 HB2 SER A 35 -15.341 7.245 -9.698 1.00 0.00 H new ATOM 0 HB3 SER A 35 -17.016 7.078 -9.211 1.00 0.00 H new ATOM 0 HG SER A 35 -15.862 8.800 -11.132 1.00 0.00 H new ATOM 535 N THR A 36 -15.327 10.691 -9.540 1.00 0.00 N ATOM 536 CA THR A 36 -14.419 11.746 -9.971 1.00 0.00 C ATOM 537 C THR A 36 -13.901 12.535 -8.773 1.00 0.00 C ATOM 538 O THR A 36 -12.769 13.009 -8.780 1.00 0.00 O ATOM 539 CB THR A 36 -15.115 12.684 -10.958 1.00 0.00 C ATOM 540 OG1 THR A 36 -15.965 11.954 -11.826 1.00 0.00 O ATOM 541 CG2 THR A 36 -14.146 13.470 -11.814 1.00 0.00 C ATOM 0 H THR A 36 -16.249 10.721 -9.975 1.00 0.00 H new ATOM 0 HA THR A 36 -13.571 11.279 -10.472 1.00 0.00 H new ATOM 0 HB THR A 36 -15.685 13.384 -10.346 1.00 0.00 H new ATOM 0 HG1 THR A 36 -16.403 12.570 -12.449 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.702 14.117 -12.493 1.00 0.00 H new ATOM 0 HG22 THR A 36 -13.507 14.079 -11.175 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.530 12.781 -12.392 1.00 0.00 H new ATOM 549 N MET A 37 -14.731 12.663 -7.741 1.00 0.00 N ATOM 550 CA MET A 37 -14.335 13.387 -6.539 1.00 0.00 C ATOM 551 C MET A 37 -13.354 12.561 -5.722 1.00 0.00 C ATOM 552 O MET A 37 -12.276 13.035 -5.369 1.00 0.00 O ATOM 553 CB MET A 37 -15.556 13.740 -5.682 1.00 0.00 C ATOM 554 CG MET A 37 -15.843 15.232 -5.617 1.00 0.00 C ATOM 555 SD MET A 37 -16.167 15.807 -3.938 1.00 0.00 S ATOM 556 CE MET A 37 -14.780 16.912 -3.681 1.00 0.00 C ATOM 0 H MET A 37 -15.675 12.278 -7.713 1.00 0.00 H new ATOM 0 HA MET A 37 -13.851 14.313 -6.850 1.00 0.00 H new ATOM 0 HB2 MET A 37 -16.431 13.227 -6.082 1.00 0.00 H new ATOM 0 HB3 MET A 37 -15.401 13.364 -4.671 1.00 0.00 H new ATOM 0 HG2 MET A 37 -14.994 15.779 -6.026 1.00 0.00 H new ATOM 0 HG3 MET A 37 -16.703 15.460 -6.247 1.00 0.00 H new ATOM 0 HE1 MET A 37 -14.841 17.347 -2.683 1.00 0.00 H new ATOM 0 HE2 MET A 37 -13.848 16.355 -3.778 1.00 0.00 H new ATOM 0 HE3 MET A 37 -14.806 17.708 -4.426 1.00 0.00 H new ATOM 566 N ALA A 38 -13.732 11.321 -5.429 1.00 0.00 N ATOM 567 CA ALA A 38 -12.881 10.428 -4.655 1.00 0.00 C ATOM 568 C ALA A 38 -11.538 10.227 -5.342 1.00 0.00 C ATOM 569 O ALA A 38 -10.489 10.519 -4.772 1.00 0.00 O ATOM 570 CB ALA A 38 -13.573 9.090 -4.445 1.00 0.00 C ATOM 0 H ALA A 38 -14.622 10.913 -5.716 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.700 10.887 -3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.925 8.433 -3.865 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -14.508 9.245 -3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.782 8.633 -5.412 1.00 0.00 H new ATOM 576 N ALA A 39 -11.574 9.736 -6.575 1.00 0.00 N ATOM 577 CA ALA A 39 -10.355 9.505 -7.335 1.00 0.00 C ATOM 578 C ALA A 39 -9.448 10.729 -7.303 1.00 0.00 C ATOM 579 O ALA A 39 -8.304 10.649 -6.859 1.00 0.00 O ATOM 580 CB ALA A 39 -10.685 9.125 -8.768 1.00 0.00 C ATOM 0 H ALA A 39 -12.433 9.491 -7.068 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.820 8.677 -6.870 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.761 8.956 -9.322 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.284 8.214 -8.774 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.247 9.932 -9.238 1.00 0.00 H new ATOM 586 N GLU A 40 -9.962 11.864 -7.771 1.00 0.00 N ATOM 587 CA GLU A 40 -9.184 13.099 -7.789 1.00 0.00 C ATOM 588 C GLU A 40 -8.686 13.454 -6.391 1.00 0.00 C ATOM 589 O GLU A 40 -7.533 13.843 -6.220 1.00 0.00 O ATOM 590 CB GLU A 40 -10.010 14.256 -8.361 1.00 0.00 C ATOM 591 CG GLU A 40 -9.612 14.644 -9.777 1.00 0.00 C ATOM 592 CD GLU A 40 -10.592 15.611 -10.415 1.00 0.00 C ATOM 593 OE1 GLU A 40 -10.427 16.835 -10.230 1.00 0.00 O ATOM 594 OE2 GLU A 40 -11.525 15.143 -11.101 1.00 0.00 O ATOM 0 H GLU A 40 -10.908 11.954 -8.141 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.320 12.935 -8.433 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.064 13.979 -8.351 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.903 15.124 -7.711 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.620 15.096 -9.761 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.543 13.745 -10.390 1.00 0.00 H new ATOM 601 N GLU A 41 -9.560 13.321 -5.394 1.00 0.00 N ATOM 602 CA GLU A 41 -9.193 13.634 -4.015 1.00 0.00 C ATOM 603 C GLU A 41 -8.099 12.703 -3.509 1.00 0.00 C ATOM 604 O GLU A 41 -7.059 13.152 -3.031 1.00 0.00 O ATOM 605 CB GLU A 41 -10.413 13.537 -3.090 1.00 0.00 C ATOM 606 CG GLU A 41 -10.815 14.863 -2.466 1.00 0.00 C ATOM 607 CD GLU A 41 -10.629 14.879 -0.960 1.00 0.00 C ATOM 608 OE1 GLU A 41 -11.246 14.036 -0.277 1.00 0.00 O ATOM 609 OE2 GLU A 41 -9.864 15.734 -0.465 1.00 0.00 O ATOM 0 H GLU A 41 -10.521 13.001 -5.515 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.815 14.656 -4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.256 13.142 -3.656 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.199 12.822 -2.296 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.223 15.664 -2.910 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.859 15.070 -2.702 1.00 0.00 H new ATOM 616 N ILE A 42 -8.341 11.401 -3.616 1.00 0.00 N ATOM 617 CA ILE A 42 -7.375 10.411 -3.162 1.00 0.00 C ATOM 618 C ILE A 42 -6.067 10.518 -3.943 1.00 0.00 C ATOM 619 O ILE A 42 -4.983 10.362 -3.378 1.00 0.00 O ATOM 620 CB ILE A 42 -7.929 8.977 -3.292 1.00 0.00 C ATOM 621 CG1 ILE A 42 -9.319 8.870 -2.652 1.00 0.00 C ATOM 622 CG2 ILE A 42 -6.972 7.978 -2.658 1.00 0.00 C ATOM 623 CD1 ILE A 42 -9.307 8.909 -1.140 1.00 0.00 C ATOM 0 H ILE A 42 -9.195 11.009 -4.012 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.182 10.619 -2.110 1.00 0.00 H new ATOM 0 HB ILE A 42 -8.024 8.742 -4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -9.941 9.686 -3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.786 7.941 -2.977 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.378 6.971 -2.758 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.006 8.031 -3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.846 8.215 -1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.328 8.828 -0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.714 8.077 -0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -8.871 9.850 -0.804 1.00 0.00 H new ATOM 635 N LYS A 43 -6.169 10.789 -5.243 1.00 0.00 N ATOM 636 CA LYS A 43 -4.985 10.918 -6.087 1.00 0.00 C ATOM 637 C LYS A 43 -4.100 12.064 -5.608 1.00 0.00 C ATOM 638 O LYS A 43 -2.926 11.867 -5.298 1.00 0.00 O ATOM 639 CB LYS A 43 -5.379 11.143 -7.551 1.00 0.00 C ATOM 640 CG LYS A 43 -4.768 10.133 -8.510 1.00 0.00 C ATOM 641 CD LYS A 43 -3.763 10.783 -9.449 1.00 0.00 C ATOM 642 CE LYS A 43 -2.507 9.937 -9.597 1.00 0.00 C ATOM 643 NZ LYS A 43 -1.415 10.394 -8.694 1.00 0.00 N ATOM 0 H LYS A 43 -7.054 10.923 -5.732 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.424 9.986 -6.015 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.465 11.101 -7.636 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.074 12.146 -7.850 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.277 9.343 -7.942 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.559 9.661 -9.094 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.221 10.930 -10.427 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.496 11.770 -9.070 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.744 8.895 -9.380 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.163 9.977 -10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.620 10.749 -9.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.768 11.155 -8.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.093 9.598 -8.108 1.00 0.00 H new ATOM 657 N GLU A 44 -4.673 13.264 -5.552 1.00 0.00 N ATOM 658 CA GLU A 44 -3.936 14.445 -5.112 1.00 0.00 C ATOM 659 C GLU A 44 -3.319 14.222 -3.734 1.00 0.00 C ATOM 660 O GLU A 44 -2.215 14.688 -3.455 1.00 0.00 O ATOM 661 CB GLU A 44 -4.857 15.668 -5.081 1.00 0.00 C ATOM 662 CG GLU A 44 -6.035 15.523 -4.131 1.00 0.00 C ATOM 663 CD GLU A 44 -6.647 16.858 -3.752 1.00 0.00 C ATOM 664 OE1 GLU A 44 -5.895 17.851 -3.660 1.00 0.00 O ATOM 665 OE2 GLU A 44 -7.878 16.909 -3.544 1.00 0.00 O ATOM 0 H GLU A 44 -5.644 13.444 -5.806 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.131 14.624 -5.825 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.275 16.543 -4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.234 15.854 -6.087 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.797 14.897 -4.596 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.707 15.008 -3.228 1.00 0.00 H new ATOM 672 N LEU A 45 -4.039 13.503 -2.878 1.00 0.00 N ATOM 673 CA LEU A 45 -3.560 13.218 -1.531 1.00 0.00 C ATOM 674 C LEU A 45 -2.286 12.378 -1.576 1.00 0.00 C ATOM 675 O LEU A 45 -1.256 12.764 -1.026 1.00 0.00 O ATOM 676 CB LEU A 45 -4.645 12.495 -0.726 1.00 0.00 C ATOM 677 CG LEU A 45 -5.403 13.371 0.275 1.00 0.00 C ATOM 678 CD1 LEU A 45 -6.216 14.435 -0.448 1.00 0.00 C ATOM 679 CD2 LEU A 45 -6.306 12.517 1.152 1.00 0.00 C ATOM 0 H LEU A 45 -4.954 13.108 -3.093 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.329 14.164 -1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.363 12.061 -1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.184 11.668 -0.186 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.674 13.872 0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.747 15.046 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.549 15.067 -1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.936 13.955 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.837 13.156 1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.026 11.989 0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.702 11.794 1.700 1.00 0.00 H new ATOM 691 N CYS A 46 -2.366 11.225 -2.232 1.00 0.00 N ATOM 692 CA CYS A 46 -1.218 10.329 -2.349 1.00 0.00 C ATOM 693 C CYS A 46 0.020 11.083 -2.832 1.00 0.00 C ATOM 694 O CYS A 46 1.132 10.830 -2.373 1.00 0.00 O ATOM 695 CB CYS A 46 -1.536 9.181 -3.310 1.00 0.00 C ATOM 696 SG CYS A 46 -2.853 8.082 -2.737 1.00 0.00 S ATOM 0 H CYS A 46 -3.212 10.888 -2.691 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.008 9.921 -1.360 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.820 9.598 -4.276 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.632 8.594 -3.470 1.00 0.00 H new ATOM 0 HG CYS A 46 -3.996 8.695 -2.820 1.00 0.00 H new ATOM 702 N GLN A 47 -0.185 12.010 -3.762 1.00 0.00 N ATOM 703 CA GLN A 47 0.910 12.803 -4.308 1.00 0.00 C ATOM 704 C GLN A 47 1.400 13.837 -3.297 1.00 0.00 C ATOM 705 O GLN A 47 2.558 14.252 -3.332 1.00 0.00 O ATOM 706 CB GLN A 47 0.469 13.503 -5.595 1.00 0.00 C ATOM 707 CG GLN A 47 1.557 13.577 -6.653 1.00 0.00 C ATOM 708 CD GLN A 47 1.006 13.847 -8.040 1.00 0.00 C ATOM 709 OE1 GLN A 47 0.669 14.982 -8.377 1.00 0.00 O ATOM 710 NE2 GLN A 47 0.911 12.801 -8.852 1.00 0.00 N ATOM 0 H GLN A 47 -1.101 12.231 -4.154 1.00 0.00 H new ATOM 0 HA GLN A 47 1.734 12.125 -4.532 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.392 12.977 -6.008 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.139 14.514 -5.354 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.264 14.363 -6.388 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.113 12.639 -6.663 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.202 11.878 -8.531 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.547 12.921 -9.797 1.00 0.00 H new ATOM 719 N SER A 48 0.511 14.252 -2.398 1.00 0.00 N ATOM 720 CA SER A 48 0.859 15.241 -1.382 1.00 0.00 C ATOM 721 C SER A 48 2.068 14.784 -0.571 1.00 0.00 C ATOM 722 O SER A 48 2.995 15.556 -0.329 1.00 0.00 O ATOM 723 CB SER A 48 -0.332 15.493 -0.454 1.00 0.00 C ATOM 724 OG SER A 48 -0.691 16.865 -0.444 1.00 0.00 O ATOM 0 H SER A 48 -0.452 13.920 -2.352 1.00 0.00 H new ATOM 0 HA SER A 48 1.116 16.172 -1.888 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.183 14.894 -0.778 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.083 15.172 0.557 1.00 0.00 H new ATOM 0 HG SER A 48 -1.455 16.999 0.155 1.00 0.00 H new ATOM 730 N HIS A 49 2.051 13.522 -0.153 1.00 0.00 N ATOM 731 CA HIS A 49 3.147 12.963 0.631 1.00 0.00 C ATOM 732 C HIS A 49 3.893 11.883 -0.146 1.00 0.00 C ATOM 733 O HIS A 49 4.722 11.167 0.415 1.00 0.00 O ATOM 734 CB HIS A 49 2.619 12.383 1.943 1.00 0.00 C ATOM 735 CG HIS A 49 3.614 12.438 3.060 1.00 0.00 C ATOM 736 ND1 HIS A 49 3.906 11.357 3.863 1.00 0.00 N ATOM 737 CD2 HIS A 49 4.390 13.454 3.506 1.00 0.00 C ATOM 738 CE1 HIS A 49 4.816 11.703 4.754 1.00 0.00 C ATOM 739 NE2 HIS A 49 5.128 12.971 4.559 1.00 0.00 N ATOM 0 H HIS A 49 1.292 12.868 -0.344 1.00 0.00 H new ATOM 0 HA HIS A 49 3.845 13.772 0.847 1.00 0.00 H new ATOM 0 HB2 HIS A 49 1.722 12.928 2.238 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.323 11.347 1.781 1.00 0.00 H new ATOM 0 HD2 HIS A 49 4.423 14.457 3.108 1.00 0.00 H new ATOM 0 HE1 HIS A 49 5.234 11.059 5.513 1.00 0.00 H new ATOM 0 HE2 HIS A 49 5.807 13.505 5.102 1.00 0.00 H new ATOM 748 N ASN A 50 3.597 11.764 -1.439 1.00 0.00 N ATOM 749 CA ASN A 50 4.247 10.765 -2.278 1.00 0.00 C ATOM 750 C ASN A 50 4.139 9.379 -1.649 1.00 0.00 C ATOM 751 O ASN A 50 5.148 8.733 -1.378 1.00 0.00 O ATOM 752 CB ASN A 50 5.719 11.128 -2.493 1.00 0.00 C ATOM 753 CG ASN A 50 6.341 10.363 -3.647 1.00 0.00 C ATOM 754 OD1 ASN A 50 5.957 9.230 -3.934 1.00 0.00 O ATOM 755 ND2 ASN A 50 7.308 10.983 -4.313 1.00 0.00 N ATOM 0 H ASN A 50 2.914 12.345 -1.925 1.00 0.00 H new ATOM 0 HA ASN A 50 3.741 10.749 -3.243 1.00 0.00 H new ATOM 0 HB2 ASN A 50 5.802 12.198 -2.683 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.278 10.922 -1.580 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.765 10.519 -5.098 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.594 11.923 -4.039 1.00 0.00 H new ATOM 762 N ILE A 51 2.907 8.935 -1.415 1.00 0.00 N ATOM 763 CA ILE A 51 2.661 7.627 -0.817 1.00 0.00 C ATOM 764 C ILE A 51 2.459 6.567 -1.899 1.00 0.00 C ATOM 765 O ILE A 51 1.383 6.474 -2.489 1.00 0.00 O ATOM 766 CB ILE A 51 1.416 7.652 0.094 1.00 0.00 C ATOM 767 CG1 ILE A 51 1.489 8.822 1.077 1.00 0.00 C ATOM 768 CG2 ILE A 51 1.280 6.334 0.843 1.00 0.00 C ATOM 769 CD1 ILE A 51 0.134 9.379 1.457 1.00 0.00 C ATOM 0 H ILE A 51 2.062 9.464 -1.631 1.00 0.00 H new ATOM 0 HA ILE A 51 3.537 7.378 -0.218 1.00 0.00 H new ATOM 0 HB ILE A 51 0.535 7.787 -0.533 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.005 8.495 1.980 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.090 9.618 0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.397 6.368 1.481 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.180 5.518 0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.166 6.171 1.457 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.263 10.205 2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.376 9.737 0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.462 8.597 1.926 1.00 0.00 H new ATOM 781 N PRO A 52 3.492 5.749 -2.183 1.00 0.00 N ATOM 782 CA PRO A 52 3.405 4.701 -3.205 1.00 0.00 C ATOM 783 C PRO A 52 2.217 3.773 -2.980 1.00 0.00 C ATOM 784 O PRO A 52 2.252 2.900 -2.113 1.00 0.00 O ATOM 785 CB PRO A 52 4.724 3.939 -3.052 1.00 0.00 C ATOM 786 CG PRO A 52 5.658 4.922 -2.439 1.00 0.00 C ATOM 787 CD PRO A 52 4.818 5.778 -1.536 1.00 0.00 C ATOM 0 HA PRO A 52 3.256 5.115 -4.202 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.603 3.060 -2.419 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.094 3.589 -4.016 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.444 4.417 -1.878 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.148 5.524 -3.204 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.781 5.379 -0.523 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.209 6.793 -1.464 1.00 0.00 H new ATOM 795 N VAL A 53 1.167 3.971 -3.766 1.00 0.00 N ATOM 796 CA VAL A 53 -0.037 3.159 -3.658 1.00 0.00 C ATOM 797 C VAL A 53 -0.815 3.176 -4.968 1.00 0.00 C ATOM 798 O VAL A 53 -0.644 4.079 -5.787 1.00 0.00 O ATOM 799 CB VAL A 53 -0.946 3.661 -2.515 1.00 0.00 C ATOM 800 CG1 VAL A 53 -1.473 5.055 -2.818 1.00 0.00 C ATOM 801 CG2 VAL A 53 -2.095 2.696 -2.272 1.00 0.00 C ATOM 0 H VAL A 53 1.125 4.690 -4.488 1.00 0.00 H new ATOM 0 HA VAL A 53 0.274 2.138 -3.437 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.347 3.711 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.111 5.389 -2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.636 5.744 -2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.050 5.033 -3.742 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.721 3.072 -1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.692 2.605 -3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.698 1.718 -1.999 1.00 0.00 H new ATOM 811 N GLU A 54 -1.677 2.184 -5.158 1.00 0.00 N ATOM 812 CA GLU A 54 -2.485 2.111 -6.373 1.00 0.00 C ATOM 813 C GLU A 54 -3.971 2.071 -6.035 1.00 0.00 C ATOM 814 O GLU A 54 -4.451 1.132 -5.400 1.00 0.00 O ATOM 815 CB GLU A 54 -2.108 0.885 -7.209 1.00 0.00 C ATOM 816 CG GLU A 54 -0.612 0.619 -7.283 1.00 0.00 C ATOM 817 CD GLU A 54 -0.098 0.573 -8.709 1.00 0.00 C ATOM 818 OE1 GLU A 54 -0.678 1.265 -9.573 1.00 0.00 O ATOM 819 OE2 GLU A 54 0.882 -0.157 -8.963 1.00 0.00 O ATOM 0 H GLU A 54 -1.835 1.425 -4.495 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.282 3.008 -6.959 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.602 0.008 -6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.493 1.016 -8.220 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.081 1.397 -6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.390 -0.327 -6.790 1.00 0.00 H new ATOM 826 N LEU A 55 -4.693 3.100 -6.464 1.00 0.00 N ATOM 827 CA LEU A 55 -6.125 3.192 -6.208 1.00 0.00 C ATOM 828 C LEU A 55 -6.921 2.474 -7.297 1.00 0.00 C ATOM 829 O LEU A 55 -6.920 2.887 -8.456 1.00 0.00 O ATOM 830 CB LEU A 55 -6.555 4.659 -6.136 1.00 0.00 C ATOM 831 CG LEU A 55 -7.587 4.999 -5.052 1.00 0.00 C ATOM 832 CD1 LEU A 55 -8.056 6.437 -5.201 1.00 0.00 C ATOM 833 CD2 LEU A 55 -8.775 4.048 -5.106 1.00 0.00 C ATOM 0 H LEU A 55 -4.309 3.884 -6.992 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.330 2.709 -5.253 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.668 5.271 -5.971 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.965 4.946 -7.104 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.106 4.883 -4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.788 6.663 -4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.204 7.110 -5.103 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.513 6.571 -6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.489 4.313 -4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.257 4.123 -6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.430 3.026 -4.949 1.00 0.00 H new ATOM 845 N ILE A 56 -7.610 1.408 -6.910 1.00 0.00 N ATOM 846 CA ILE A 56 -8.424 0.645 -7.846 1.00 0.00 C ATOM 847 C ILE A 56 -9.905 0.846 -7.546 1.00 0.00 C ATOM 848 O ILE A 56 -10.285 1.069 -6.397 1.00 0.00 O ATOM 849 CB ILE A 56 -8.082 -0.860 -7.802 1.00 0.00 C ATOM 850 CG1 ILE A 56 -8.826 -1.614 -8.903 1.00 0.00 C ATOM 851 CG2 ILE A 56 -8.409 -1.455 -6.445 1.00 0.00 C ATOM 852 CD1 ILE A 56 -7.999 -2.702 -9.553 1.00 0.00 C ATOM 0 H ILE A 56 -7.621 1.053 -5.954 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.203 1.013 -8.848 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.010 -0.963 -7.970 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.729 -2.057 -8.483 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.144 -0.905 -9.667 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.158 -2.516 -6.443 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.831 -0.944 -5.675 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -9.473 -1.333 -6.241 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -8.589 -3.196 -10.325 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.109 -2.263 -10.003 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.703 -3.432 -8.800 1.00 0.00 H new ATOM 864 N GLN A 57 -10.742 0.767 -8.574 1.00 0.00 N ATOM 865 CA GLN A 57 -12.180 0.936 -8.399 1.00 0.00 C ATOM 866 C GLN A 57 -12.907 -0.323 -8.840 1.00 0.00 C ATOM 867 O GLN A 57 -12.537 -0.946 -9.837 1.00 0.00 O ATOM 868 CB GLN A 57 -12.683 2.142 -9.194 1.00 0.00 C ATOM 869 CG GLN A 57 -11.733 3.330 -9.167 1.00 0.00 C ATOM 870 CD GLN A 57 -11.361 3.813 -10.555 1.00 0.00 C ATOM 871 OE1 GLN A 57 -11.634 3.144 -11.552 1.00 0.00 O ATOM 872 NE2 GLN A 57 -10.734 4.981 -10.628 1.00 0.00 N ATOM 0 H GLN A 57 -10.451 0.587 -9.535 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.383 1.113 -7.343 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -12.846 1.842 -10.229 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -13.649 2.451 -8.796 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.196 4.148 -8.614 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.827 3.053 -8.628 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.527 5.503 -9.776 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.459 5.356 -11.536 1.00 0.00 H new ATOM 881 N CYS A 58 -13.929 -0.710 -8.090 1.00 0.00 N ATOM 882 CA CYS A 58 -14.687 -1.916 -8.400 1.00 0.00 C ATOM 883 C CYS A 58 -16.121 -1.806 -7.883 1.00 0.00 C ATOM 884 O CYS A 58 -16.442 -0.901 -7.123 1.00 0.00 O ATOM 885 CB CYS A 58 -14.003 -3.134 -7.785 1.00 0.00 C ATOM 886 SG CYS A 58 -12.270 -3.346 -8.256 1.00 0.00 S ATOM 0 H CYS A 58 -14.253 -0.208 -7.263 1.00 0.00 H new ATOM 0 HA CYS A 58 -14.721 -2.031 -9.483 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -14.064 -3.058 -6.699 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -14.556 -4.028 -8.073 1.00 0.00 H new ATOM 0 HG CYS A 58 -11.976 -2.517 -9.213 1.00 0.00 H new ATOM 892 N ARG A 59 -16.981 -2.731 -8.301 1.00 0.00 N ATOM 893 CA ARG A 59 -18.377 -2.733 -7.878 1.00 0.00 C ATOM 894 C ARG A 59 -18.525 -3.287 -6.464 1.00 0.00 C ATOM 895 O ARG A 59 -17.542 -3.455 -5.743 1.00 0.00 O ATOM 896 CB ARG A 59 -19.216 -3.565 -8.850 1.00 0.00 C ATOM 897 CG ARG A 59 -20.556 -2.934 -9.194 1.00 0.00 C ATOM 898 CD ARG A 59 -21.705 -3.913 -8.988 1.00 0.00 C ATOM 899 NE ARG A 59 -22.992 -3.231 -8.869 1.00 0.00 N ATOM 900 CZ ARG A 59 -23.610 -2.630 -9.884 1.00 0.00 C ATOM 901 NH1 ARG A 59 -23.068 -2.629 -11.096 1.00 0.00 N ATOM 902 NH2 ARG A 59 -24.776 -2.030 -9.687 1.00 0.00 N ATOM 0 H ARG A 59 -16.734 -3.491 -8.935 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.732 -1.702 -7.880 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -18.649 -3.716 -9.768 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -19.389 -4.550 -8.416 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -20.713 -2.051 -8.574 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -20.545 -2.597 -10.231 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -21.741 -4.611 -9.825 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -21.523 -4.502 -8.089 1.00 0.00 H new ATOM 0 HE ARG A 59 -23.444 -3.214 -7.955 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -22.172 -3.091 -11.255 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -23.547 -2.167 -11.869 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -25.199 -2.029 -8.759 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -25.250 -1.569 -10.464 1.00 0.00 H new ATOM 916 N VAL A 60 -19.765 -3.566 -6.077 1.00 0.00 N ATOM 917 CA VAL A 60 -20.055 -4.090 -4.749 1.00 0.00 C ATOM 918 C VAL A 60 -19.563 -5.526 -4.575 1.00 0.00 C ATOM 919 O VAL A 60 -19.360 -5.985 -3.451 1.00 0.00 O ATOM 920 CB VAL A 60 -21.568 -4.033 -4.446 1.00 0.00 C ATOM 921 CG1 VAL A 60 -22.338 -4.979 -5.358 1.00 0.00 C ATOM 922 CG2 VAL A 60 -21.836 -4.349 -2.978 1.00 0.00 C ATOM 0 H VAL A 60 -20.587 -3.437 -6.667 1.00 0.00 H new ATOM 0 HA VAL A 60 -19.518 -3.454 -4.045 1.00 0.00 H new ATOM 0 HB VAL A 60 -21.918 -3.019 -4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -23.402 -4.922 -5.127 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -22.177 -4.694 -6.398 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -21.987 -5.999 -5.203 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -22.908 -4.303 -2.786 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -21.468 -5.349 -2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -21.323 -3.621 -2.350 1.00 0.00 H new ATOM 932 N ASN A 61 -19.380 -6.237 -5.683 1.00 0.00 N ATOM 933 CA ASN A 61 -18.920 -7.622 -5.625 1.00 0.00 C ATOM 934 C ASN A 61 -17.723 -7.851 -6.543 1.00 0.00 C ATOM 935 O ASN A 61 -17.810 -8.586 -7.527 1.00 0.00 O ATOM 936 CB ASN A 61 -20.059 -8.569 -6.004 1.00 0.00 C ATOM 937 CG ASN A 61 -20.747 -8.159 -7.291 1.00 0.00 C ATOM 938 OD1 ASN A 61 -21.091 -6.993 -7.480 1.00 0.00 O ATOM 939 ND2 ASN A 61 -20.948 -9.120 -8.185 1.00 0.00 N ATOM 0 H ASN A 61 -19.541 -5.882 -6.625 1.00 0.00 H new ATOM 0 HA ASN A 61 -18.603 -7.828 -4.602 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -19.667 -9.580 -6.111 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -20.791 -8.595 -5.196 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -21.404 -8.905 -9.071 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -20.646 -10.074 -7.985 1.00 0.00 H new ATOM 946 N GLU A 62 -16.607 -7.213 -6.216 1.00 0.00 N ATOM 947 CA GLU A 62 -15.390 -7.344 -7.009 1.00 0.00 C ATOM 948 C GLU A 62 -14.151 -7.399 -6.120 1.00 0.00 C ATOM 949 O GLU A 62 -13.201 -8.127 -6.406 1.00 0.00 O ATOM 950 CB GLU A 62 -15.266 -6.165 -7.964 1.00 0.00 C ATOM 951 CG GLU A 62 -16.494 -5.930 -8.824 1.00 0.00 C ATOM 952 CD GLU A 62 -16.715 -7.019 -9.854 1.00 0.00 C ATOM 953 OE1 GLU A 62 -16.155 -8.122 -9.685 1.00 0.00 O ATOM 954 OE2 GLU A 62 -17.450 -6.767 -10.831 1.00 0.00 O ATOM 0 H GLU A 62 -16.518 -6.599 -5.406 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.456 -8.276 -7.570 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.063 -5.263 -7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.406 -6.327 -8.614 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.372 -5.862 -8.182 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.396 -4.971 -9.333 1.00 0.00 H new ATOM 961 N ILE A 63 -14.168 -6.625 -5.041 1.00 0.00 N ATOM 962 CA ILE A 63 -13.044 -6.585 -4.114 1.00 0.00 C ATOM 963 C ILE A 63 -12.695 -7.988 -3.635 1.00 0.00 C ATOM 964 O ILE A 63 -11.524 -8.349 -3.528 1.00 0.00 O ATOM 965 CB ILE A 63 -13.341 -5.686 -2.895 1.00 0.00 C ATOM 966 CG1 ILE A 63 -13.905 -4.334 -3.343 1.00 0.00 C ATOM 967 CG2 ILE A 63 -12.083 -5.486 -2.063 1.00 0.00 C ATOM 968 CD1 ILE A 63 -14.549 -3.551 -2.221 1.00 0.00 C ATOM 0 H ILE A 63 -14.947 -6.017 -4.787 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.197 -6.163 -4.654 1.00 0.00 H new ATOM 0 HB ILE A 63 -14.090 -6.183 -2.279 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.101 -3.739 -3.777 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -14.641 -4.498 -4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -12.310 -4.850 -1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.722 -6.452 -1.711 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.314 -5.012 -2.674 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -14.927 -2.605 -2.608 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -15.374 -4.127 -1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.811 -3.356 -1.443 1.00 0.00 H new ATOM 980 N GLU A 64 -13.728 -8.779 -3.361 1.00 0.00 N ATOM 981 CA GLU A 64 -13.551 -10.151 -2.904 1.00 0.00 C ATOM 982 C GLU A 64 -12.812 -10.977 -3.950 1.00 0.00 C ATOM 983 O GLU A 64 -11.887 -11.722 -3.628 1.00 0.00 O ATOM 984 CB GLU A 64 -14.910 -10.789 -2.606 1.00 0.00 C ATOM 985 CG GLU A 64 -15.591 -10.231 -1.368 1.00 0.00 C ATOM 986 CD GLU A 64 -16.249 -8.888 -1.622 1.00 0.00 C ATOM 987 OE1 GLU A 64 -16.696 -8.652 -2.764 1.00 0.00 O ATOM 988 OE2 GLU A 64 -16.317 -8.073 -0.679 1.00 0.00 O ATOM 0 H GLU A 64 -14.702 -8.490 -3.449 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.956 -10.132 -1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.565 -10.645 -3.465 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -14.777 -11.864 -2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.342 -10.940 -1.020 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.857 -10.127 -0.569 1.00 0.00 H new ATOM 995 N THR A 65 -13.224 -10.837 -5.209 1.00 0.00 N ATOM 996 CA THR A 65 -12.599 -11.568 -6.304 1.00 0.00 C ATOM 997 C THR A 65 -11.221 -10.995 -6.616 1.00 0.00 C ATOM 998 O THR A 65 -10.267 -11.737 -6.853 1.00 0.00 O ATOM 999 CB THR A 65 -13.482 -11.521 -7.554 1.00 0.00 C ATOM 1000 OG1 THR A 65 -14.499 -10.545 -7.416 1.00 0.00 O ATOM 1001 CG2 THR A 65 -14.150 -12.844 -7.859 1.00 0.00 C ATOM 0 H THR A 65 -13.988 -10.224 -5.493 1.00 0.00 H new ATOM 0 HA THR A 65 -12.483 -12.607 -5.995 1.00 0.00 H new ATOM 0 HB THR A 65 -12.810 -11.272 -8.375 1.00 0.00 H new ATOM 0 HG1 THR A 65 -15.050 -10.530 -8.226 1.00 0.00 H new ATOM 0 HG21 THR A 65 -14.761 -12.745 -8.756 1.00 0.00 H new ATOM 0 HG22 THR A 65 -13.389 -13.607 -8.021 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.782 -13.135 -7.020 1.00 0.00 H new ATOM 1009 N TYR A 66 -11.124 -9.669 -6.613 1.00 0.00 N ATOM 1010 CA TYR A 66 -9.863 -8.994 -6.894 1.00 0.00 C ATOM 1011 C TYR A 66 -9.029 -8.825 -5.626 1.00 0.00 C ATOM 1012 O TYR A 66 -8.049 -8.079 -5.617 1.00 0.00 O ATOM 1013 CB TYR A 66 -10.121 -7.629 -7.533 1.00 0.00 C ATOM 1014 CG TYR A 66 -10.817 -7.710 -8.873 1.00 0.00 C ATOM 1015 CD1 TYR A 66 -10.143 -8.159 -10.003 1.00 0.00 C ATOM 1016 CD2 TYR A 66 -12.149 -7.342 -9.009 1.00 0.00 C ATOM 1017 CE1 TYR A 66 -10.777 -8.238 -11.229 1.00 0.00 C ATOM 1018 CE2 TYR A 66 -12.791 -7.419 -10.230 1.00 0.00 C ATOM 1019 CZ TYR A 66 -12.101 -7.867 -11.337 1.00 0.00 C ATOM 1020 OH TYR A 66 -12.740 -7.947 -12.554 1.00 0.00 O ATOM 0 H TYR A 66 -11.904 -9.041 -6.419 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.301 -9.616 -7.591 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -10.726 -7.028 -6.854 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.171 -7.110 -7.657 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.106 -8.451 -9.922 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -12.693 -6.989 -8.145 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.239 -8.588 -12.097 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -13.828 -7.130 -10.317 1.00 0.00 H new ATOM 0 HH TYR A 66 -13.669 -7.649 -12.456 1.00 0.00 H new ATOM 1030 N MET A 67 -9.418 -9.515 -4.555 1.00 0.00 N ATOM 1031 CA MET A 67 -8.700 -9.436 -3.285 1.00 0.00 C ATOM 1032 C MET A 67 -7.372 -10.195 -3.350 1.00 0.00 C ATOM 1033 O MET A 67 -7.049 -10.972 -2.452 1.00 0.00 O ATOM 1034 CB MET A 67 -9.565 -10.008 -2.158 1.00 0.00 C ATOM 1035 CG MET A 67 -9.493 -9.208 -0.867 1.00 0.00 C ATOM 1036 SD MET A 67 -7.992 -9.542 0.075 1.00 0.00 S ATOM 1037 CE MET A 67 -8.159 -11.300 0.371 1.00 0.00 C ATOM 0 H MET A 67 -10.227 -10.136 -4.542 1.00 0.00 H new ATOM 0 HA MET A 67 -8.485 -8.386 -3.085 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.602 -10.049 -2.492 1.00 0.00 H new ATOM 0 HB3 MET A 67 -9.254 -11.033 -1.958 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.542 -8.144 -1.100 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.362 -9.440 -0.252 1.00 0.00 H new ATOM 0 HE1 MET A 67 -8.008 -11.507 1.431 1.00 0.00 H new ATOM 0 HE2 MET A 67 -9.157 -11.625 0.077 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.414 -11.840 -0.214 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.609 -9.972 -4.417 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.326 -10.639 -4.597 1.00 0.00 C ATOM 1049 C ASP A 68 -4.259 -10.022 -3.702 1.00 0.00 C ATOM 1050 O ASP A 68 -3.513 -10.731 -3.026 1.00 0.00 O ATOM 1051 CB ASP A 68 -4.894 -10.552 -6.061 1.00 0.00 C ATOM 1052 CG ASP A 68 -5.290 -11.778 -6.858 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -4.547 -12.781 -6.814 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -6.345 -11.737 -7.527 1.00 0.00 O ATOM 0 H ASP A 68 -6.859 -9.332 -5.171 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.443 -11.686 -4.316 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.340 -9.668 -6.516 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.813 -10.425 -6.110 1.00 0.00 H new ATOM 1059 N GLY A 69 -4.189 -8.697 -3.705 1.00 0.00 N ATOM 1060 CA GLY A 69 -3.209 -8.005 -2.892 1.00 0.00 C ATOM 1061 C GLY A 69 -3.670 -6.620 -2.488 1.00 0.00 C ATOM 1062 O GLY A 69 -3.022 -5.625 -2.812 1.00 0.00 O ATOM 0 H GLY A 69 -4.794 -8.089 -4.257 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.003 -8.592 -1.997 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.272 -7.927 -3.444 1.00 0.00 H new ATOM 1066 N VAL A 70 -4.792 -6.555 -1.777 1.00 0.00 N ATOM 1067 CA VAL A 70 -5.336 -5.283 -1.328 1.00 0.00 C ATOM 1068 C VAL A 70 -4.921 -4.990 0.104 1.00 0.00 C ATOM 1069 O VAL A 70 -5.079 -5.824 0.994 1.00 0.00 O ATOM 1070 CB VAL A 70 -6.871 -5.257 -1.423 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -7.308 -5.367 -2.873 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -7.482 -6.373 -0.592 1.00 0.00 C ATOM 0 H VAL A 70 -5.340 -7.370 -1.501 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.931 -4.516 -1.988 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.226 -4.307 -1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.396 -5.348 -2.927 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.901 -4.530 -3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.940 -6.303 -3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.568 -6.335 -0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.124 -7.336 -0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.193 -6.250 0.452 1.00 0.00 H new ATOM 1082 N HIS A 71 -4.386 -3.797 0.317 1.00 0.00 N ATOM 1083 CA HIS A 71 -3.943 -3.387 1.640 1.00 0.00 C ATOM 1084 C HIS A 71 -5.034 -2.609 2.369 1.00 0.00 C ATOM 1085 O HIS A 71 -5.064 -2.574 3.598 1.00 0.00 O ATOM 1086 CB HIS A 71 -2.687 -2.526 1.531 1.00 0.00 C ATOM 1087 CG HIS A 71 -1.614 -2.899 2.502 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -0.911 -4.081 2.429 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -1.114 -2.231 3.569 1.00 0.00 C ATOM 1090 CE1 HIS A 71 -0.024 -4.126 3.406 1.00 0.00 C ATOM 1091 NE2 HIS A 71 -0.126 -3.015 4.112 1.00 0.00 N ATOM 0 H HIS A 71 -4.248 -3.096 -0.411 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.719 -4.287 2.212 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.291 -2.604 0.518 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.959 -1.482 1.687 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.433 -1.263 3.926 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.667 -4.934 3.595 1.00 0.00 H new ATOM 0 HE2 HIS A 71 0.438 -2.778 4.928 1.00 0.00 H new ATOM 1100 N LEU A 72 -5.924 -1.983 1.604 1.00 0.00 N ATOM 1101 CA LEU A 72 -7.015 -1.201 2.177 1.00 0.00 C ATOM 1102 C LEU A 72 -8.208 -1.184 1.228 1.00 0.00 C ATOM 1103 O LEU A 72 -8.043 -1.210 0.010 1.00 0.00 O ATOM 1104 CB LEU A 72 -6.567 0.242 2.453 1.00 0.00 C ATOM 1105 CG LEU A 72 -5.163 0.408 3.050 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -4.430 1.570 2.394 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -5.249 0.619 4.552 1.00 0.00 C ATOM 0 H LEU A 72 -5.911 -2.002 0.584 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.304 -1.668 3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.611 0.800 1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.286 0.701 3.132 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.600 -0.505 2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.437 1.668 2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.337 1.384 1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.991 2.491 2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.245 0.735 4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.832 1.516 4.761 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.731 -0.243 5.013 1.00 0.00 H new ATOM 1119 N ILE A 73 -9.413 -1.144 1.782 1.00 0.00 N ATOM 1120 CA ILE A 73 -10.615 -1.126 0.958 1.00 0.00 C ATOM 1121 C ILE A 73 -11.536 0.022 1.349 1.00 0.00 C ATOM 1122 O ILE A 73 -11.724 0.308 2.532 1.00 0.00 O ATOM 1123 CB ILE A 73 -11.409 -2.444 1.062 1.00 0.00 C ATOM 1124 CG1 ILE A 73 -10.556 -3.564 1.663 1.00 0.00 C ATOM 1125 CG2 ILE A 73 -11.946 -2.850 -0.301 1.00 0.00 C ATOM 1126 CD1 ILE A 73 -9.557 -4.166 0.696 1.00 0.00 C ATOM 0 H ILE A 73 -9.584 -1.124 2.787 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.274 -0.995 -0.069 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.252 -2.275 1.732 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.019 -3.173 2.527 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -11.215 -4.353 2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.504 -3.782 -0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -12.605 -2.069 -0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.115 -2.991 -0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.992 -4.952 1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -10.086 -4.589 -0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.872 -3.391 0.351 1.00 0.00 H new ATOM 1138 N CYS A 74 -12.115 0.676 0.348 1.00 0.00 N ATOM 1139 CA CYS A 74 -13.025 1.787 0.592 1.00 0.00 C ATOM 1140 C CYS A 74 -14.373 1.540 -0.078 1.00 0.00 C ATOM 1141 O CYS A 74 -14.507 1.674 -1.293 1.00 0.00 O ATOM 1142 CB CYS A 74 -12.414 3.094 0.078 1.00 0.00 C ATOM 1143 SG CYS A 74 -11.647 4.103 1.367 1.00 0.00 S ATOM 0 H CYS A 74 -11.970 0.456 -0.637 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.185 1.868 1.667 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -11.666 2.860 -0.680 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.192 3.679 -0.412 1.00 0.00 H new ATOM 0 HG CYS A 74 -11.157 5.184 0.837 1.00 0.00 H new ATOM 1149 N THR A 75 -15.373 1.179 0.719 1.00 0.00 N ATOM 1150 CA THR A 75 -16.710 0.915 0.196 1.00 0.00 C ATOM 1151 C THR A 75 -17.766 1.629 1.032 1.00 0.00 C ATOM 1152 O THR A 75 -17.636 1.734 2.250 1.00 0.00 O ATOM 1153 CB THR A 75 -16.990 -0.589 0.179 1.00 0.00 C ATOM 1154 OG1 THR A 75 -15.811 -1.322 0.456 1.00 0.00 O ATOM 1155 CG2 THR A 75 -17.539 -1.087 -1.142 1.00 0.00 C ATOM 0 H THR A 75 -15.284 1.062 1.728 1.00 0.00 H new ATOM 0 HA THR A 75 -16.756 1.295 -0.824 1.00 0.00 H new ATOM 0 HB THR A 75 -17.746 -0.747 0.948 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.011 -2.281 0.442 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.714 -2.161 -1.082 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.478 -0.578 -1.361 1.00 0.00 H new ATOM 0 HG23 THR A 75 -16.821 -0.880 -1.936 1.00 0.00 H new ATOM 1163 N THR A 76 -18.813 2.113 0.376 1.00 0.00 N ATOM 1164 CA THR A 76 -19.886 2.810 1.073 1.00 0.00 C ATOM 1165 C THR A 76 -21.101 1.900 1.245 1.00 0.00 C ATOM 1166 O THR A 76 -22.158 2.139 0.662 1.00 0.00 O ATOM 1167 CB THR A 76 -20.279 4.076 0.311 1.00 0.00 C ATOM 1168 OG1 THR A 76 -20.317 3.829 -1.082 1.00 0.00 O ATOM 1169 CG2 THR A 76 -19.336 5.235 0.547 1.00 0.00 C ATOM 0 H THR A 76 -18.942 2.036 -0.633 1.00 0.00 H new ATOM 0 HA THR A 76 -19.524 3.092 2.062 1.00 0.00 H new ATOM 0 HB THR A 76 -21.263 4.349 0.691 1.00 0.00 H new ATOM 0 HG1 THR A 76 -20.572 4.650 -1.553 1.00 0.00 H new ATOM 0 HG21 THR A 76 -19.673 6.101 -0.023 1.00 0.00 H new ATOM 0 HG22 THR A 76 -19.322 5.483 1.608 1.00 0.00 H new ATOM 0 HG23 THR A 76 -18.332 4.958 0.226 1.00 0.00 H new ATOM 1294 N GLY A 84 -12.615 -12.694 7.165 1.00 0.00 N ATOM 1295 CA GLY A 84 -11.184 -12.611 6.943 1.00 0.00 C ATOM 1296 C GLY A 84 -10.547 -11.462 7.701 1.00 0.00 C ATOM 1297 O GLY A 84 -10.780 -11.295 8.898 1.00 0.00 O ATOM 0 HA2 GLY A 84 -10.717 -13.547 7.248 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.991 -12.491 5.877 1.00 0.00 H new ATOM 1301 N ASP A 85 -9.750 -10.664 7.002 1.00 0.00 N ATOM 1302 CA ASP A 85 -9.085 -9.521 7.613 1.00 0.00 C ATOM 1303 C ASP A 85 -9.044 -8.354 6.640 1.00 0.00 C ATOM 1304 O ASP A 85 -8.209 -7.462 6.762 1.00 0.00 O ATOM 1305 CB ASP A 85 -7.662 -9.889 8.034 1.00 0.00 C ATOM 1306 CG ASP A 85 -7.620 -10.648 9.345 1.00 0.00 C ATOM 1307 OD1 ASP A 85 -8.315 -11.679 9.457 1.00 0.00 O ATOM 1308 OD2 ASP A 85 -6.889 -10.211 10.259 1.00 0.00 O ATOM 0 H ASP A 85 -9.548 -10.788 6.010 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.651 -9.230 8.498 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.201 -10.494 7.253 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.068 -8.980 8.126 1.00 0.00 H new ATOM 1313 N ILE A 86 -9.957 -8.372 5.673 1.00 0.00 N ATOM 1314 CA ILE A 86 -10.038 -7.322 4.670 1.00 0.00 C ATOM 1315 C ILE A 86 -10.152 -5.940 5.318 1.00 0.00 C ATOM 1316 O ILE A 86 -11.222 -5.548 5.780 1.00 0.00 O ATOM 1317 CB ILE A 86 -11.242 -7.557 3.733 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -11.274 -6.508 2.629 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -12.545 -7.532 4.517 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -12.341 -6.762 1.586 1.00 0.00 C ATOM 0 H ILE A 86 -10.654 -9.109 5.565 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.118 -7.355 4.087 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.130 -8.541 3.277 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.439 -5.527 3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.300 -6.476 2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.381 -7.700 3.838 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -12.529 -8.316 5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.660 -6.562 5.001 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -12.306 -5.977 0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.165 -7.728 1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.322 -6.765 2.062 1.00 0.00 H new ATOM 1332 N PRO A 87 -9.044 -5.180 5.367 1.00 0.00 N ATOM 1333 CA PRO A 87 -9.033 -3.839 5.965 1.00 0.00 C ATOM 1334 C PRO A 87 -9.839 -2.828 5.149 1.00 0.00 C ATOM 1335 O PRO A 87 -9.271 -1.962 4.482 1.00 0.00 O ATOM 1336 CB PRO A 87 -7.549 -3.463 5.964 1.00 0.00 C ATOM 1337 CG PRO A 87 -6.960 -4.266 4.856 1.00 0.00 C ATOM 1338 CD PRO A 87 -7.716 -5.563 4.848 1.00 0.00 C ATOM 0 HA PRO A 87 -9.490 -3.832 6.955 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.411 -2.395 5.797 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.079 -3.700 6.919 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.060 -3.749 3.902 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -5.895 -4.434 5.018 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.782 -5.985 3.845 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.238 -6.312 5.479 1.00 0.00 H new ATOM 1346 N LEU A 88 -11.163 -2.939 5.207 1.00 0.00 N ATOM 1347 CA LEU A 88 -12.036 -2.029 4.470 1.00 0.00 C ATOM 1348 C LEU A 88 -12.600 -0.946 5.388 1.00 0.00 C ATOM 1349 O LEU A 88 -12.675 -1.127 6.603 1.00 0.00 O ATOM 1350 CB LEU A 88 -13.180 -2.800 3.813 1.00 0.00 C ATOM 1351 CG LEU A 88 -14.113 -3.535 4.776 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -15.360 -2.709 5.045 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -14.490 -4.898 4.216 1.00 0.00 C ATOM 0 H LEU A 88 -11.654 -3.646 5.754 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.439 -1.549 3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -13.773 -2.103 3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -12.755 -3.526 3.120 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.587 -3.682 5.719 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -16.012 -3.248 5.732 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.076 -1.754 5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.888 -2.531 4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.154 -5.407 4.914 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.997 -4.771 3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -13.589 -5.494 4.072 1.00 0.00 H new ATOM 1365 N VAL A 89 -12.991 0.179 4.797 1.00 0.00 N ATOM 1366 CA VAL A 89 -13.546 1.295 5.559 1.00 0.00 C ATOM 1367 C VAL A 89 -14.732 1.919 4.828 1.00 0.00 C ATOM 1368 O VAL A 89 -14.807 1.877 3.599 1.00 0.00 O ATOM 1369 CB VAL A 89 -12.490 2.396 5.814 1.00 0.00 C ATOM 1370 CG1 VAL A 89 -12.923 3.305 6.955 1.00 0.00 C ATOM 1371 CG2 VAL A 89 -11.122 1.793 6.100 1.00 0.00 C ATOM 0 H VAL A 89 -12.934 0.343 3.792 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.873 0.887 6.515 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.410 2.995 4.907 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -12.165 4.072 7.117 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -13.871 3.779 6.702 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -13.043 2.716 7.864 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.402 2.592 6.275 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.182 1.158 6.984 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.802 1.196 5.246 1.00 0.00 H new ATOM 1381 N HIS A 90 -15.655 2.503 5.587 1.00 0.00 N ATOM 1382 CA HIS A 90 -16.829 3.140 5.005 1.00 0.00 C ATOM 1383 C HIS A 90 -16.503 4.555 4.544 1.00 0.00 C ATOM 1384 O HIS A 90 -15.670 5.237 5.140 1.00 0.00 O ATOM 1385 CB HIS A 90 -17.975 3.171 6.018 1.00 0.00 C ATOM 1386 CG HIS A 90 -18.568 1.825 6.288 1.00 0.00 C ATOM 1387 ND1 HIS A 90 -18.948 1.406 7.545 1.00 0.00 N ATOM 1388 CD2 HIS A 90 -18.848 0.798 5.451 1.00 0.00 C ATOM 1389 CE1 HIS A 90 -19.434 0.182 7.473 1.00 0.00 C ATOM 1390 NE2 HIS A 90 -19.386 -0.210 6.213 1.00 0.00 N ATOM 0 H HIS A 90 -15.611 2.548 6.605 1.00 0.00 H new ATOM 0 HA HIS A 90 -17.138 2.556 4.138 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -17.610 3.593 6.954 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -18.756 3.837 5.651 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -18.680 0.776 4.384 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -19.807 -0.400 8.303 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -19.698 -1.115 5.862 1.00 0.00 H new ATOM 1399 N GLY A 91 -17.164 4.989 3.478 1.00 0.00 N ATOM 1400 CA GLY A 91 -16.935 6.320 2.950 1.00 0.00 C ATOM 1401 C GLY A 91 -18.169 7.192 3.043 1.00 0.00 C ATOM 1402 O GLY A 91 -18.393 8.057 2.197 1.00 0.00 O ATOM 0 H GLY A 91 -17.857 4.441 2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -16.118 6.790 3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -16.621 6.247 1.909 1.00 0.00 H new ATOM 1406 N MET A 92 -18.976 6.961 4.072 1.00 0.00 N ATOM 1407 CA MET A 92 -20.196 7.730 4.266 1.00 0.00 C ATOM 1408 C MET A 92 -19.885 9.207 4.496 1.00 0.00 C ATOM 1409 O MET A 92 -20.427 10.074 3.813 1.00 0.00 O ATOM 1410 CB MET A 92 -21.001 7.165 5.440 1.00 0.00 C ATOM 1411 CG MET A 92 -22.490 7.044 5.154 1.00 0.00 C ATOM 1412 SD MET A 92 -22.860 5.784 3.916 1.00 0.00 S ATOM 1413 CE MET A 92 -22.770 6.745 2.407 1.00 0.00 C ATOM 0 H MET A 92 -18.807 6.249 4.782 1.00 0.00 H new ATOM 0 HA MET A 92 -20.794 7.649 3.358 1.00 0.00 H new ATOM 0 HB2 MET A 92 -20.608 6.182 5.700 1.00 0.00 H new ATOM 0 HB3 MET A 92 -20.857 7.806 6.310 1.00 0.00 H new ATOM 0 HG2 MET A 92 -23.015 6.805 6.079 1.00 0.00 H new ATOM 0 HG3 MET A 92 -22.870 8.007 4.812 1.00 0.00 H new ATOM 0 HE1 MET A 92 -23.646 6.540 1.792 1.00 0.00 H new ATOM 0 HE2 MET A 92 -22.740 7.806 2.653 1.00 0.00 H new ATOM 0 HE3 MET A 92 -21.869 6.474 1.856 1.00 0.00 H new ATOM 1423 N PRO A 93 -19.005 9.517 5.464 1.00 0.00 N ATOM 1424 CA PRO A 93 -18.636 10.900 5.770 1.00 0.00 C ATOM 1425 C PRO A 93 -17.694 11.501 4.730 1.00 0.00 C ATOM 1426 O PRO A 93 -17.701 12.711 4.502 1.00 0.00 O ATOM 1427 CB PRO A 93 -17.931 10.781 7.121 1.00 0.00 C ATOM 1428 CG PRO A 93 -17.351 9.410 7.121 1.00 0.00 C ATOM 1429 CD PRO A 93 -18.308 8.552 6.338 1.00 0.00 C ATOM 0 HA PRO A 93 -19.503 11.560 5.777 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -17.156 11.539 7.232 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.630 10.916 7.946 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.361 9.406 6.665 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -17.235 9.036 8.138 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.783 7.793 5.758 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -19.005 8.028 6.993 1.00 0.00 H new ATOM 1437 N PHE A 94 -16.881 10.654 4.104 1.00 0.00 N ATOM 1438 CA PHE A 94 -15.934 11.120 3.095 1.00 0.00 C ATOM 1439 C PHE A 94 -16.663 11.636 1.857 1.00 0.00 C ATOM 1440 O PHE A 94 -16.242 12.617 1.243 1.00 0.00 O ATOM 1441 CB PHE A 94 -14.985 9.987 2.702 1.00 0.00 C ATOM 1442 CG PHE A 94 -13.534 10.362 2.784 1.00 0.00 C ATOM 1443 CD1 PHE A 94 -13.027 10.973 3.919 1.00 0.00 C ATOM 1444 CD2 PHE A 94 -12.675 10.099 1.729 1.00 0.00 C ATOM 1445 CE1 PHE A 94 -11.691 11.315 4.000 1.00 0.00 C ATOM 1446 CE2 PHE A 94 -11.338 10.436 1.805 1.00 0.00 C ATOM 1447 CZ PHE A 94 -10.846 11.046 2.944 1.00 0.00 C ATOM 0 H PHE A 94 -16.858 9.649 4.276 1.00 0.00 H new ATOM 0 HA PHE A 94 -15.359 11.941 3.524 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -15.167 9.130 3.351 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.213 9.670 1.684 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -13.684 11.184 4.750 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -13.056 9.625 0.837 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -11.309 11.793 4.890 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.678 10.224 0.977 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.801 11.312 3.007 1.00 0.00 H new ATOM 1457 N VAL A 95 -17.755 10.970 1.498 1.00 0.00 N ATOM 1458 CA VAL A 95 -18.542 11.362 0.334 1.00 0.00 C ATOM 1459 C VAL A 95 -19.368 12.609 0.634 1.00 0.00 C ATOM 1460 O VAL A 95 -19.751 13.348 -0.273 1.00 0.00 O ATOM 1461 CB VAL A 95 -19.473 10.213 -0.119 1.00 0.00 C ATOM 1462 CG1 VAL A 95 -20.342 10.624 -1.302 1.00 0.00 C ATOM 1463 CG2 VAL A 95 -18.655 8.980 -0.471 1.00 0.00 C ATOM 0 H VAL A 95 -18.116 10.156 1.996 1.00 0.00 H new ATOM 0 HA VAL A 95 -17.846 11.586 -0.475 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.136 9.978 0.713 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -20.982 9.790 -1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -20.961 11.476 -1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -19.705 10.901 -2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -19.323 8.179 -0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -17.966 9.220 -1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -18.090 8.657 0.403 1.00 0.00 H new ATOM 1473 N SER A 96 -19.633 12.842 1.914 1.00 0.00 N ATOM 1474 CA SER A 96 -20.409 14.001 2.335 1.00 0.00 C ATOM 1475 C SER A 96 -19.754 15.297 1.865 1.00 0.00 C ATOM 1476 O SER A 96 -20.438 16.274 1.558 1.00 0.00 O ATOM 1477 CB SER A 96 -20.558 14.008 3.857 1.00 0.00 C ATOM 1478 OG SER A 96 -21.923 14.039 4.234 1.00 0.00 O ATOM 0 H SER A 96 -19.321 12.243 2.678 1.00 0.00 H new ATOM 0 HA SER A 96 -21.397 13.934 1.880 1.00 0.00 H new ATOM 0 HB2 SER A 96 -20.081 13.122 4.277 1.00 0.00 H new ATOM 0 HB3 SER A 96 -20.043 14.874 4.272 1.00 0.00 H new ATOM 0 HG SER A 96 -21.992 14.041 5.212 1.00 0.00 H new ATOM 1484 N GLY A 97 -18.425 15.300 1.811 1.00 0.00 N ATOM 1485 CA GLY A 97 -17.700 16.483 1.379 1.00 0.00 C ATOM 1486 C GLY A 97 -17.411 17.445 2.518 1.00 0.00 C ATOM 1487 O GLY A 97 -16.731 18.453 2.328 1.00 0.00 O ATOM 0 H GLY A 97 -17.837 14.504 2.059 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -16.760 16.179 0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -18.279 16.998 0.612 1.00 0.00 H new ATOM 1491 N VAL A 98 -17.928 17.135 3.704 1.00 0.00 N ATOM 1492 CA VAL A 98 -17.723 17.981 4.876 1.00 0.00 C ATOM 1493 C VAL A 98 -16.945 17.240 5.963 1.00 0.00 C ATOM 1494 O VAL A 98 -16.330 17.859 6.830 1.00 0.00 O ATOM 1495 CB VAL A 98 -19.068 18.474 5.452 1.00 0.00 C ATOM 1496 CG1 VAL A 98 -19.914 17.301 5.919 1.00 0.00 C ATOM 1497 CG2 VAL A 98 -18.847 19.467 6.587 1.00 0.00 C ATOM 0 H VAL A 98 -18.492 16.304 3.879 1.00 0.00 H new ATOM 0 HA VAL A 98 -17.141 18.843 4.550 1.00 0.00 H new ATOM 0 HB VAL A 98 -19.606 18.989 4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -20.857 17.670 6.321 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -20.113 16.638 5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -19.379 16.752 6.694 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -19.811 19.798 6.974 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -18.281 18.987 7.385 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -18.291 20.327 6.215 1.00 0.00 H new ATOM 1507 N GLY A 99 -16.972 15.912 5.914 1.00 0.00 N ATOM 1508 CA GLY A 99 -16.265 15.124 6.903 1.00 0.00 C ATOM 1509 C GLY A 99 -14.900 14.661 6.426 1.00 0.00 C ATOM 1510 O GLY A 99 -14.248 13.865 7.097 1.00 0.00 O ATOM 0 H GLY A 99 -17.470 15.370 5.208 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.146 15.714 7.812 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.867 14.254 7.164 1.00 0.00 H new ATOM 1514 N ILE A 100 -14.462 15.154 5.268 1.00 0.00 N ATOM 1515 CA ILE A 100 -13.166 14.770 4.719 1.00 0.00 C ATOM 1516 C ILE A 100 -12.022 15.385 5.519 1.00 0.00 C ATOM 1517 O ILE A 100 -11.081 14.692 5.892 1.00 0.00 O ATOM 1518 CB ILE A 100 -13.033 15.186 3.239 1.00 0.00 C ATOM 1519 CG1 ILE A 100 -14.159 14.563 2.414 1.00 0.00 C ATOM 1520 CG2 ILE A 100 -11.675 14.772 2.678 1.00 0.00 C ATOM 1521 CD1 ILE A 100 -14.100 14.916 0.944 1.00 0.00 C ATOM 0 H ILE A 100 -14.984 15.817 4.695 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.105 13.684 4.787 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.109 16.272 3.180 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -14.119 13.479 2.521 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -15.117 14.888 2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.605 15.076 1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.883 15.254 3.250 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -11.567 13.690 2.749 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -14.929 14.439 0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -14.171 15.997 0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -13.157 14.566 0.523 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.103 16.686 5.774 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.061 17.382 6.525 1.00 0.00 C ATOM 1535 C GLU A 101 -10.758 16.673 7.844 1.00 0.00 C ATOM 1536 O GLU A 101 -9.599 16.406 8.164 1.00 0.00 O ATOM 1537 CB GLU A 101 -11.470 18.834 6.791 1.00 0.00 C ATOM 1538 CG GLU A 101 -10.722 19.842 5.934 1.00 0.00 C ATOM 1539 CD GLU A 101 -11.159 21.268 6.199 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -12.331 21.593 5.915 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -10.330 22.061 6.693 1.00 0.00 O ATOM 0 H GLU A 101 -12.876 17.280 5.474 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.155 17.373 5.919 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.540 18.940 6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.298 19.065 7.842 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.652 19.752 6.124 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.880 19.607 4.881 1.00 0.00 H new ATOM 1548 N ALA A 102 -11.803 16.370 8.606 1.00 0.00 N ATOM 1549 CA ALA A 102 -11.642 15.694 9.888 1.00 0.00 C ATOM 1550 C ALA A 102 -11.131 14.268 9.700 1.00 0.00 C ATOM 1551 O ALA A 102 -10.235 13.822 10.417 1.00 0.00 O ATOM 1552 CB ALA A 102 -12.957 15.697 10.652 1.00 0.00 C ATOM 0 H ALA A 102 -12.770 16.581 8.359 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.898 16.239 10.469 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -12.824 15.189 11.607 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.273 16.725 10.828 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.718 15.179 10.069 1.00 0.00 H new ATOM 1558 N LEU A 103 -11.704 13.556 8.733 1.00 0.00 N ATOM 1559 CA LEU A 103 -11.297 12.182 8.458 1.00 0.00 C ATOM 1560 C LEU A 103 -9.884 12.141 7.890 1.00 0.00 C ATOM 1561 O LEU A 103 -9.126 11.208 8.154 1.00 0.00 O ATOM 1562 CB LEU A 103 -12.266 11.513 7.479 1.00 0.00 C ATOM 1563 CG LEU A 103 -12.960 10.261 8.012 1.00 0.00 C ATOM 1564 CD1 LEU A 103 -14.353 10.599 8.527 1.00 0.00 C ATOM 1565 CD2 LEU A 103 -13.032 9.188 6.933 1.00 0.00 C ATOM 0 H LEU A 103 -12.448 13.906 8.130 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.315 11.635 9.401 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -13.028 12.238 7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.720 11.250 6.573 1.00 0.00 H new ATOM 0 HG LEU A 103 -12.373 9.871 8.844 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -14.831 9.694 8.902 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -14.276 11.330 9.332 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.950 11.015 7.715 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -13.530 8.304 7.332 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -13.594 9.567 6.080 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.024 8.924 6.614 1.00 0.00 H new ATOM 1577 N GLN A 104 -9.537 13.153 7.103 1.00 0.00 N ATOM 1578 CA GLN A 104 -8.214 13.221 6.496 1.00 0.00 C ATOM 1579 C GLN A 104 -7.126 13.255 7.561 1.00 0.00 C ATOM 1580 O GLN A 104 -6.222 12.420 7.570 1.00 0.00 O ATOM 1581 CB GLN A 104 -8.094 14.447 5.590 1.00 0.00 C ATOM 1582 CG GLN A 104 -7.074 14.273 4.478 1.00 0.00 C ATOM 1583 CD GLN A 104 -6.068 15.407 4.420 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -5.927 16.177 5.370 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -5.362 15.513 3.300 1.00 0.00 N ATOM 0 H GLN A 104 -10.151 13.934 6.871 1.00 0.00 H new ATOM 0 HA GLN A 104 -8.081 12.324 5.892 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -9.068 14.662 5.150 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -7.819 15.312 6.194 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.545 13.331 4.621 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -7.593 14.205 3.522 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.512 14.852 2.538 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.669 16.255 3.202 1.00 0.00 H new ATOM 1594 N ASN A 105 -7.213 14.227 8.461 1.00 0.00 N ATOM 1595 CA ASN A 105 -6.232 14.369 9.528 1.00 0.00 C ATOM 1596 C ASN A 105 -6.058 13.064 10.301 1.00 0.00 C ATOM 1597 O ASN A 105 -4.954 12.727 10.726 1.00 0.00 O ATOM 1598 CB ASN A 105 -6.649 15.487 10.486 1.00 0.00 C ATOM 1599 CG ASN A 105 -5.514 16.447 10.774 1.00 0.00 C ATOM 1600 OD1 ASN A 105 -4.908 16.407 11.845 1.00 0.00 O ATOM 1601 ND2 ASN A 105 -5.218 17.317 9.816 1.00 0.00 N ATOM 0 H ASN A 105 -7.953 14.928 8.473 1.00 0.00 H new ATOM 0 HA ASN A 105 -5.277 14.623 9.069 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.487 16.036 10.057 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -6.999 15.050 11.421 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -4.462 17.988 9.952 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -5.747 17.315 8.944 1.00 0.00 H new ATOM 1608 N LYS A 106 -7.156 12.335 10.481 1.00 0.00 N ATOM 1609 CA LYS A 106 -7.117 11.072 11.206 1.00 0.00 C ATOM 1610 C LYS A 106 -6.630 9.937 10.314 1.00 0.00 C ATOM 1611 O LYS A 106 -5.850 9.094 10.746 1.00 0.00 O ATOM 1612 CB LYS A 106 -8.498 10.737 11.775 1.00 0.00 C ATOM 1613 CG LYS A 106 -8.848 11.521 13.031 1.00 0.00 C ATOM 1614 CD LYS A 106 -8.439 10.773 14.291 1.00 0.00 C ATOM 1615 CE LYS A 106 -6.927 10.699 14.431 1.00 0.00 C ATOM 1616 NZ LYS A 106 -6.292 12.043 14.335 1.00 0.00 N ATOM 0 H LYS A 106 -8.079 12.597 10.136 1.00 0.00 H new ATOM 0 HA LYS A 106 -6.412 11.184 12.029 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.252 10.933 11.013 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -8.540 9.671 11.999 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -8.351 12.491 13.005 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.921 11.713 13.053 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.862 11.270 15.164 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.853 9.765 14.267 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -6.673 10.246 15.389 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.522 10.050 13.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -5.278 11.964 14.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.411 12.415 13.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.743 12.689 15.014 1.00 0.00 H new ATOM 1630 N ILE A 107 -7.082 9.916 9.066 1.00 0.00 N ATOM 1631 CA ILE A 107 -6.672 8.871 8.138 1.00 0.00 C ATOM 1632 C ILE A 107 -5.167 8.919 7.881 1.00 0.00 C ATOM 1633 O ILE A 107 -4.516 7.881 7.755 1.00 0.00 O ATOM 1634 CB ILE A 107 -7.437 8.966 6.798 1.00 0.00 C ATOM 1635 CG1 ILE A 107 -7.359 7.642 6.045 1.00 0.00 C ATOM 1636 CG2 ILE A 107 -6.908 10.097 5.931 1.00 0.00 C ATOM 1637 CD1 ILE A 107 -8.702 7.167 5.545 1.00 0.00 C ATOM 0 H ILE A 107 -7.726 10.604 8.676 1.00 0.00 H new ATOM 0 HA ILE A 107 -6.918 7.918 8.606 1.00 0.00 H new ATOM 0 HB ILE A 107 -8.480 9.182 7.028 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -6.680 7.751 5.199 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -6.932 6.883 6.700 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -7.470 10.133 4.998 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -7.021 11.044 6.459 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -5.854 9.926 5.714 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -8.580 6.221 5.018 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -9.376 7.027 6.390 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -9.121 7.909 4.866 1.00 0.00 H new ATOM 1649 N LEU A 108 -4.620 10.130 7.806 1.00 0.00 N ATOM 1650 CA LEU A 108 -3.193 10.310 7.563 1.00 0.00 C ATOM 1651 C LEU A 108 -2.383 9.940 8.801 1.00 0.00 C ATOM 1652 O LEU A 108 -1.395 9.215 8.713 1.00 0.00 O ATOM 1653 CB LEU A 108 -2.897 11.756 7.153 1.00 0.00 C ATOM 1654 CG LEU A 108 -3.627 12.235 5.894 1.00 0.00 C ATOM 1655 CD1 LEU A 108 -3.373 13.717 5.656 1.00 0.00 C ATOM 1656 CD2 LEU A 108 -3.197 11.419 4.685 1.00 0.00 C ATOM 0 H LEU A 108 -5.143 10.999 7.910 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.902 9.647 6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.162 12.414 7.981 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.824 11.860 6.994 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.697 12.091 6.044 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.900 14.037 4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.733 14.290 6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.304 13.887 5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.726 11.773 3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.123 11.530 4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.433 10.368 4.852 1.00 0.00 H new ATOM 1668 N THR A 109 -2.808 10.441 9.957 1.00 0.00 N ATOM 1669 CA THR A 109 -2.118 10.159 11.212 1.00 0.00 C ATOM 1670 C THR A 109 -1.946 8.656 11.420 1.00 0.00 C ATOM 1671 O THR A 109 -0.944 8.208 11.979 1.00 0.00 O ATOM 1672 CB THR A 109 -2.887 10.764 12.387 1.00 0.00 C ATOM 1673 OG1 THR A 109 -3.072 12.155 12.203 1.00 0.00 O ATOM 1674 CG2 THR A 109 -2.195 10.565 13.717 1.00 0.00 C ATOM 0 H THR A 109 -3.626 11.043 10.051 1.00 0.00 H new ATOM 0 HA THR A 109 -1.128 10.613 11.161 1.00 0.00 H new ATOM 0 HB THR A 109 -3.842 10.239 12.409 1.00 0.00 H new ATOM 0 HG1 THR A 109 -4.019 12.339 12.028 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.792 11.017 14.509 1.00 0.00 H new ATOM 0 HG22 THR A 109 -2.081 9.499 13.912 1.00 0.00 H new ATOM 0 HG23 THR A 109 -1.212 11.036 13.690 1.00 0.00 H new ATOM 1682 N ILE A 110 -2.927 7.878 10.969 1.00 0.00 N ATOM 1683 CA ILE A 110 -2.876 6.427 11.112 1.00 0.00 C ATOM 1684 C ILE A 110 -2.109 5.783 9.959 1.00 0.00 C ATOM 1685 O ILE A 110 -1.320 4.861 10.166 1.00 0.00 O ATOM 1686 CB ILE A 110 -4.287 5.812 11.179 1.00 0.00 C ATOM 1687 CG1 ILE A 110 -5.167 6.596 12.155 1.00 0.00 C ATOM 1688 CG2 ILE A 110 -4.209 4.350 11.589 1.00 0.00 C ATOM 1689 CD1 ILE A 110 -4.656 6.585 13.578 1.00 0.00 C ATOM 0 H ILE A 110 -3.764 8.228 10.503 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.357 6.226 12.049 1.00 0.00 H new ATOM 0 HB ILE A 110 -4.737 5.869 10.188 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -5.242 7.628 11.813 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -6.174 6.180 12.137 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -5.214 3.930 11.632 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -3.616 3.799 10.859 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.741 4.272 12.570 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -5.331 7.161 14.211 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -4.607 5.558 13.939 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.661 7.029 13.611 1.00 0.00 H new ATOM 1701 N LEU A 111 -2.346 6.271 8.746 1.00 0.00 N ATOM 1702 CA LEU A 111 -1.677 5.738 7.564 1.00 0.00 C ATOM 1703 C LEU A 111 -0.165 5.919 7.669 1.00 0.00 C ATOM 1704 O LEU A 111 0.605 5.082 7.198 1.00 0.00 O ATOM 1705 CB LEU A 111 -2.200 6.422 6.299 1.00 0.00 C ATOM 1706 CG LEU A 111 -3.405 5.741 5.642 1.00 0.00 C ATOM 1707 CD1 LEU A 111 -3.933 6.580 4.487 1.00 0.00 C ATOM 1708 CD2 LEU A 111 -3.031 4.345 5.166 1.00 0.00 C ATOM 0 H LEU A 111 -2.996 7.034 8.555 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.895 4.672 7.504 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.472 7.448 6.546 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.390 6.473 5.571 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.197 5.651 6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.788 6.079 4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -4.240 7.558 4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.149 6.705 3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.898 3.875 4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -2.222 4.413 4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.705 3.746 6.016 1.00 0.00 H new ATOM 1720 N GLN A 112 0.251 7.019 8.286 1.00 0.00 N ATOM 1721 CA GLN A 112 1.671 7.313 8.453 1.00 0.00 C ATOM 1722 C GLN A 112 2.320 6.325 9.416 1.00 0.00 C ATOM 1723 O GLN A 112 3.452 5.889 9.204 1.00 0.00 O ATOM 1724 CB GLN A 112 1.861 8.743 8.961 1.00 0.00 C ATOM 1725 CG GLN A 112 1.279 9.799 8.035 1.00 0.00 C ATOM 1726 CD GLN A 112 2.256 10.239 6.965 1.00 0.00 C ATOM 1727 OE1 GLN A 112 2.899 11.281 7.084 1.00 0.00 O ATOM 1728 NE2 GLN A 112 2.372 9.441 5.910 1.00 0.00 N ATOM 0 H GLN A 112 -0.374 7.723 8.679 1.00 0.00 H new ATOM 0 HA GLN A 112 2.155 7.215 7.481 1.00 0.00 H new ATOM 0 HB2 GLN A 112 1.396 8.836 9.942 1.00 0.00 H new ATOM 0 HB3 GLN A 112 2.926 8.934 9.093 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.380 9.405 7.561 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.976 10.665 8.623 1.00 0.00 H new ATOM 0 HE21 GLN A 112 1.818 8.586 5.854 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.015 9.683 5.156 1.00 0.00 H new ATOM 1737 N GLY A 113 1.599 5.977 10.476 1.00 0.00 N ATOM 1738 CA GLY A 113 2.121 5.044 11.455 1.00 0.00 C ATOM 1739 C GLY A 113 1.973 3.600 11.019 1.00 0.00 C ATOM 1740 O GLY A 113 2.934 3.053 10.438 1.00 0.00 O ATOM 1741 OXT GLY A 113 0.896 3.015 11.257 1.00 0.00 O ATOM 0 H GLY A 113 0.661 6.325 10.674 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.175 5.260 11.632 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.602 5.189 12.403 1.00 0.00 H new