USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 311 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 131 THR OG1 : rot 126:sc= 0.527 USER MOD Set 1.2: A 148 THR OG1 : rot 180:sc= 0.472 USER MOD Set 2.1: A 105 THR OG1 : rot -4:sc= 0.0318! USER MOD Set 2.2: A 119 THR OG1 : rot -155:sc= 0.128 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc=-0.00314 USER MOD Single : A 106 CYS SG : rot 180:sc= 0.0703 USER MOD Single : A 117 THR OG1 : rot 17:sc= 0.419 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.0668 USER MOD Single : A 129 MET CE :methyl -158:sc= -0.0239 (180deg=-0.669) USER MOD Single : A 130 THR OG1 : rot 76:sc= 1.52 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 152 SER OG : rot 180:sc= 0.00629 USER MOD Single : A 153 SER OG : rot 180:sc= 0.00491 USER MOD Single : A 154 SER OG : rot 52:sc= 0.00814 USER MOD Single : A 178 ASN : amide:sc= -2.58 K(o=-2.6,f=-3.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 0.857 -1.024 -1.778 1.00 0.00 N ATOM 2 CA MET A 100 1.492 -1.701 -2.902 1.00 0.00 C ATOM 3 C MET A 100 2.904 -2.150 -2.539 1.00 0.00 C ATOM 4 O MET A 100 3.380 -1.900 -1.430 1.00 0.00 O ATOM 5 CB MET A 100 1.535 -0.780 -4.122 1.00 0.00 C ATOM 6 CG MET A 100 2.276 0.524 -3.873 1.00 0.00 C ATOM 7 SD MET A 100 1.347 1.967 -4.427 1.00 0.00 S ATOM 8 CE MET A 100 0.539 2.455 -2.905 1.00 0.00 C ATOM 0 HA MET A 100 0.900 -2.584 -3.143 1.00 0.00 H new ATOM 0 HB2 MET A 100 2.012 -1.307 -4.948 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.515 -0.555 -4.433 1.00 0.00 H new ATOM 0 HG2 MET A 100 2.487 0.620 -2.808 1.00 0.00 H new ATOM 0 HG3 MET A 100 3.237 0.496 -4.387 1.00 0.00 H new ATOM 0 HE1 MET A 100 -0.075 3.337 -3.086 1.00 0.00 H new ATOM 0 HE2 MET A 100 -0.092 1.640 -2.551 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.292 2.685 -2.151 1.00 0.00 H new ATOM 18 N LEU A 101 3.570 -2.812 -3.478 1.00 0.00 N ATOM 19 CA LEU A 101 4.928 -3.296 -3.257 1.00 0.00 C ATOM 20 C LEU A 101 5.923 -2.139 -3.244 1.00 0.00 C ATOM 21 O LEU A 101 6.002 -1.363 -4.197 1.00 0.00 O ATOM 22 CB LEU A 101 5.315 -4.303 -4.341 1.00 0.00 C ATOM 23 CG LEU A 101 6.260 -5.425 -3.908 1.00 0.00 C ATOM 24 CD1 LEU A 101 7.057 -5.940 -5.096 1.00 0.00 C ATOM 25 CD2 LEU A 101 7.192 -4.942 -2.806 1.00 0.00 C ATOM 0 H LEU A 101 3.191 -3.026 -4.401 1.00 0.00 H new ATOM 0 HA LEU A 101 4.958 -3.788 -2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.403 -4.754 -4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.781 -3.760 -5.164 1.00 0.00 H new ATOM 0 HG LEU A 101 5.661 -6.247 -3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.724 -6.738 -4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.374 -6.326 -5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.646 -5.126 -5.520 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.857 -5.753 -2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.784 -4.103 -3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.604 -4.623 -1.946 1.00 0.00 H new ATOM 37 N LYS A 102 6.682 -2.030 -2.159 1.00 0.00 N ATOM 38 CA LYS A 102 7.674 -0.971 -2.022 1.00 0.00 C ATOM 39 C LYS A 102 9.073 -1.555 -1.850 1.00 0.00 C ATOM 40 O LYS A 102 9.298 -2.412 -0.995 1.00 0.00 O ATOM 41 CB LYS A 102 7.334 -0.075 -0.829 1.00 0.00 C ATOM 42 CG LYS A 102 5.944 0.532 -0.901 1.00 0.00 C ATOM 43 CD LYS A 102 5.841 1.792 -0.058 1.00 0.00 C ATOM 44 CE LYS A 102 5.354 1.482 1.350 1.00 0.00 C ATOM 45 NZ LYS A 102 5.647 2.594 2.296 1.00 0.00 N ATOM 0 H LYS A 102 6.629 -2.663 -1.361 1.00 0.00 H new ATOM 0 HA LYS A 102 7.658 -0.373 -2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.420 -0.658 0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.069 0.728 -0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.702 0.766 -1.938 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.210 -0.197 -0.559 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.815 2.279 -0.008 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.157 2.495 -0.534 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.280 1.296 1.330 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.829 0.568 1.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.300 2.344 3.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.674 2.755 2.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.172 3.460 1.971 1.00 0.00 H new ATOM 59 N CYS A 103 10.010 -1.085 -2.666 1.00 0.00 N ATOM 60 CA CYS A 103 11.387 -1.559 -2.604 1.00 0.00 C ATOM 61 C CYS A 103 12.363 -0.388 -2.526 1.00 0.00 C ATOM 62 O CYS A 103 12.111 0.681 -3.081 1.00 0.00 O ATOM 63 CB CYS A 103 11.707 -2.422 -3.826 1.00 0.00 C ATOM 64 SG CYS A 103 10.387 -3.596 -4.273 1.00 0.00 S ATOM 0 H CYS A 103 9.840 -0.375 -3.379 1.00 0.00 H new ATOM 0 HA CYS A 103 11.497 -2.162 -1.702 1.00 0.00 H new ATOM 0 HB2 CYS A 103 11.902 -1.770 -4.677 1.00 0.00 H new ATOM 0 HB3 CYS A 103 12.624 -2.979 -3.634 1.00 0.00 H new ATOM 69 N TYR A 104 13.476 -0.599 -1.833 1.00 0.00 N ATOM 70 CA TYR A 104 14.489 0.439 -1.679 1.00 0.00 C ATOM 71 C TYR A 104 15.258 0.646 -2.980 1.00 0.00 C ATOM 72 O TYR A 104 16.394 0.191 -3.124 1.00 0.00 O ATOM 73 CB TYR A 104 15.458 0.073 -0.554 1.00 0.00 C ATOM 74 CG TYR A 104 14.955 0.445 0.823 1.00 0.00 C ATOM 75 CD1 TYR A 104 14.821 1.776 1.199 1.00 0.00 C ATOM 76 CD2 TYR A 104 14.613 -0.534 1.747 1.00 0.00 C ATOM 77 CE1 TYR A 104 14.363 2.120 2.456 1.00 0.00 C ATOM 78 CE2 TYR A 104 14.153 -0.199 3.006 1.00 0.00 C ATOM 79 CZ TYR A 104 14.030 1.129 3.355 1.00 0.00 C ATOM 80 OH TYR A 104 13.572 1.468 4.608 1.00 0.00 O ATOM 0 H TYR A 104 13.700 -1.479 -1.369 1.00 0.00 H new ATOM 0 HA TYR A 104 13.983 1.370 -1.425 1.00 0.00 H new ATOM 0 HB2 TYR A 104 15.649 -1.000 -0.585 1.00 0.00 H new ATOM 0 HB3 TYR A 104 16.411 0.571 -0.730 1.00 0.00 H new ATOM 0 HD1 TYR A 104 15.079 2.555 0.497 1.00 0.00 H new ATOM 0 HD2 TYR A 104 14.708 -1.575 1.477 1.00 0.00 H new ATOM 0 HE1 TYR A 104 14.266 3.159 2.733 1.00 0.00 H new ATOM 0 HE2 TYR A 104 13.891 -0.973 3.712 1.00 0.00 H new ATOM 0 HH TYR A 104 13.381 0.653 5.118 1.00 0.00 H new ATOM 90 N THR A 105 14.631 1.337 -3.928 1.00 0.00 N ATOM 91 CA THR A 105 15.255 1.605 -5.217 1.00 0.00 C ATOM 92 C THR A 105 15.835 3.014 -5.265 1.00 0.00 C ATOM 93 O THR A 105 15.112 4.000 -5.122 1.00 0.00 O ATOM 94 CB THR A 105 14.250 1.437 -6.373 1.00 0.00 C ATOM 95 OG1 THR A 105 13.406 2.591 -6.459 1.00 0.00 O ATOM 96 CG2 THR A 105 13.398 0.193 -6.172 1.00 0.00 C ATOM 0 H THR A 105 13.691 1.721 -3.826 1.00 0.00 H new ATOM 0 HA THR A 105 16.060 0.879 -5.335 1.00 0.00 H new ATOM 0 HB THR A 105 14.811 1.328 -7.301 1.00 0.00 H new ATOM 0 HG1 THR A 105 13.610 3.201 -5.720 1.00 0.00 H new ATOM 0 HG21 THR A 105 12.696 0.095 -7.000 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.041 -0.686 -6.135 1.00 0.00 H new ATOM 0 HG23 THR A 105 12.846 0.278 -5.236 1.00 0.00 H new ATOM 104 N CYS A 106 17.146 3.102 -5.467 1.00 0.00 N ATOM 105 CA CYS A 106 17.825 4.390 -5.534 1.00 0.00 C ATOM 106 C CYS A 106 17.757 4.968 -6.945 1.00 0.00 C ATOM 107 O CYS A 106 17.489 4.251 -7.910 1.00 0.00 O ATOM 108 CB CYS A 106 19.285 4.244 -5.101 1.00 0.00 C ATOM 109 SG CYS A 106 20.200 2.947 -5.995 1.00 0.00 S ATOM 0 H CYS A 106 17.759 2.296 -5.587 1.00 0.00 H new ATOM 0 HA CYS A 106 17.318 5.075 -4.854 1.00 0.00 H new ATOM 0 HB2 CYS A 106 19.793 5.197 -5.246 1.00 0.00 H new ATOM 0 HB3 CYS A 106 19.316 4.025 -4.034 1.00 0.00 H new ATOM 0 HG CYS A 106 21.424 2.902 -5.561 1.00 0.00 H new ATOM 262 N THR A 117 16.560 4.148 -0.738 1.00 0.00 N ATOM 263 CA THR A 117 15.459 5.081 -0.943 1.00 0.00 C ATOM 264 C THR A 117 14.145 4.340 -1.164 1.00 0.00 C ATOM 265 O THR A 117 14.036 3.506 -2.063 1.00 0.00 O ATOM 266 CB THR A 117 15.723 6.006 -2.146 1.00 0.00 C ATOM 267 OG1 THR A 117 17.110 6.359 -2.198 1.00 0.00 O ATOM 268 CG2 THR A 117 14.877 7.267 -2.055 1.00 0.00 C ATOM 0 HA THR A 117 15.384 5.686 -0.039 1.00 0.00 H new ATOM 0 HB THR A 117 15.451 5.469 -3.055 1.00 0.00 H new ATOM 0 HG1 THR A 117 17.626 5.743 -1.637 1.00 0.00 H new ATOM 0 HG21 THR A 117 15.081 7.905 -2.915 1.00 0.00 H new ATOM 0 HG22 THR A 117 13.821 6.997 -2.045 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.122 7.804 -1.139 1.00 0.00 H new ATOM 276 N ILE A 118 13.151 4.652 -0.340 1.00 0.00 N ATOM 277 CA ILE A 118 11.843 4.016 -0.448 1.00 0.00 C ATOM 278 C ILE A 118 11.130 4.440 -1.727 1.00 0.00 C ATOM 279 O ILE A 118 10.857 5.622 -1.938 1.00 0.00 O ATOM 280 CB ILE A 118 10.951 4.356 0.761 1.00 0.00 C ATOM 281 CG1 ILE A 118 11.625 3.913 2.061 1.00 0.00 C ATOM 282 CG2 ILE A 118 9.587 3.698 0.614 1.00 0.00 C ATOM 283 CD1 ILE A 118 10.817 4.229 3.299 1.00 0.00 C ATOM 0 H ILE A 118 13.226 5.340 0.409 1.00 0.00 H new ATOM 0 HA ILE A 118 12.016 2.940 -0.471 1.00 0.00 H new ATOM 0 HB ILE A 118 10.810 5.436 0.797 1.00 0.00 H new ATOM 0 HG12 ILE A 118 11.805 2.839 2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 118 12.599 4.397 2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.968 3.947 1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.105 4.058 -0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.709 2.616 0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 118 11.356 3.887 4.182 1.00 0.00 H new ATOM 0 HD12 ILE A 118 10.658 5.305 3.365 1.00 0.00 H new ATOM 0 HD13 ILE A 118 9.853 3.723 3.243 1.00 0.00 H new ATOM 295 N THR A 119 10.827 3.466 -2.580 1.00 0.00 N ATOM 296 CA THR A 119 10.145 3.737 -3.839 1.00 0.00 C ATOM 297 C THR A 119 8.964 2.794 -4.038 1.00 0.00 C ATOM 298 O THR A 119 9.004 1.637 -3.620 1.00 0.00 O ATOM 299 CB THR A 119 11.103 3.602 -5.038 1.00 0.00 C ATOM 300 OG1 THR A 119 12.101 4.627 -4.986 1.00 0.00 O ATOM 301 CG2 THR A 119 10.341 3.694 -6.352 1.00 0.00 C ATOM 0 H THR A 119 11.044 2.482 -2.421 1.00 0.00 H new ATOM 0 HA THR A 119 9.782 4.764 -3.787 1.00 0.00 H new ATOM 0 HB THR A 119 11.584 2.625 -4.983 1.00 0.00 H new ATOM 0 HG1 THR A 119 12.441 4.798 -5.889 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.038 3.596 -7.184 1.00 0.00 H new ATOM 0 HG22 THR A 119 9.602 2.894 -6.401 1.00 0.00 H new ATOM 0 HG23 THR A 119 9.836 4.658 -6.413 1.00 0.00 H new ATOM 309 N ARG A 120 7.913 3.296 -4.679 1.00 0.00 N ATOM 310 CA ARG A 120 6.720 2.498 -4.933 1.00 0.00 C ATOM 311 C ARG A 120 6.839 1.748 -6.257 1.00 0.00 C ATOM 312 O ARG A 120 7.035 2.354 -7.311 1.00 0.00 O ATOM 313 CB ARG A 120 5.478 3.390 -4.950 1.00 0.00 C ATOM 314 CG ARG A 120 5.513 4.504 -3.916 1.00 0.00 C ATOM 315 CD ARG A 120 5.833 5.847 -4.554 1.00 0.00 C ATOM 316 NE ARG A 120 6.284 6.827 -3.569 1.00 0.00 N ATOM 317 CZ ARG A 120 6.526 8.100 -3.858 1.00 0.00 C ATOM 318 NH1 ARG A 120 6.360 8.546 -5.096 1.00 0.00 N ATOM 319 NH2 ARG A 120 6.935 8.931 -2.908 1.00 0.00 N ATOM 0 H ARG A 120 7.864 4.252 -5.032 1.00 0.00 H new ATOM 0 HA ARG A 120 6.624 1.768 -4.129 1.00 0.00 H new ATOM 0 HB2 ARG A 120 5.371 3.830 -5.942 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.596 2.773 -4.777 1.00 0.00 H new ATOM 0 HG2 ARG A 120 4.550 4.561 -3.409 1.00 0.00 H new ATOM 0 HG3 ARG A 120 6.260 4.274 -3.157 1.00 0.00 H new ATOM 0 HD2 ARG A 120 6.605 5.714 -5.312 1.00 0.00 H new ATOM 0 HD3 ARG A 120 4.947 6.226 -5.064 1.00 0.00 H new ATOM 0 HE ARG A 120 6.420 6.516 -2.607 1.00 0.00 H new ATOM 0 HH11 ARG A 120 6.046 7.910 -5.829 1.00 0.00 H new ATOM 0 HH12 ARG A 120 6.547 9.525 -5.315 1.00 0.00 H new ATOM 0 HH21 ARG A 120 7.064 8.592 -1.955 1.00 0.00 H new ATOM 0 HH22 ARG A 120 7.121 9.909 -3.131 1.00 0.00 H new ATOM 333 N CYS A 121 6.719 0.426 -6.195 1.00 0.00 N ATOM 334 CA CYS A 121 6.814 -0.407 -7.387 1.00 0.00 C ATOM 335 C CYS A 121 5.516 -0.360 -8.188 1.00 0.00 C ATOM 336 O CYS A 121 4.545 0.278 -7.782 1.00 0.00 O ATOM 337 CB CYS A 121 7.135 -1.852 -7.000 1.00 0.00 C ATOM 338 SG CYS A 121 8.792 -2.077 -6.276 1.00 0.00 S ATOM 0 H CYS A 121 6.556 -0.091 -5.331 1.00 0.00 H new ATOM 0 HA CYS A 121 7.619 -0.017 -8.010 1.00 0.00 H new ATOM 0 HB2 CYS A 121 6.388 -2.200 -6.287 1.00 0.00 H new ATOM 0 HB3 CYS A 121 7.048 -2.482 -7.885 1.00 0.00 H new ATOM 343 N LYS A 122 5.506 -1.042 -9.329 1.00 0.00 N ATOM 344 CA LYS A 122 4.329 -1.080 -10.188 1.00 0.00 C ATOM 345 C LYS A 122 3.358 -2.165 -9.732 1.00 0.00 C ATOM 346 O LYS A 122 3.709 -3.064 -8.967 1.00 0.00 O ATOM 347 CB LYS A 122 4.740 -1.327 -11.641 1.00 0.00 C ATOM 348 CG LYS A 122 6.126 -0.805 -11.978 1.00 0.00 C ATOM 349 CD LYS A 122 6.293 -0.593 -13.474 1.00 0.00 C ATOM 350 CE LYS A 122 7.760 -0.468 -13.858 1.00 0.00 C ATOM 351 NZ LYS A 122 7.927 0.018 -15.255 1.00 0.00 N ATOM 0 H LYS A 122 6.301 -1.576 -9.680 1.00 0.00 H new ATOM 0 HA LYS A 122 3.828 -0.115 -10.118 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.705 -2.398 -11.843 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.013 -0.854 -12.301 1.00 0.00 H new ATOM 0 HG2 LYS A 122 6.299 0.135 -11.455 1.00 0.00 H new ATOM 0 HG3 LYS A 122 6.878 -1.510 -11.623 1.00 0.00 H new ATOM 0 HD2 LYS A 122 5.844 -1.427 -14.013 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.758 0.307 -13.777 1.00 0.00 H new ATOM 0 HE2 LYS A 122 8.258 0.218 -13.173 1.00 0.00 H new ATOM 0 HE3 LYS A 122 8.248 -1.437 -13.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 8.940 0.090 -15.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 7.474 -0.650 -15.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 7.484 0.954 -15.352 1.00 0.00 H new ATOM 365 N PRO A 123 2.109 -2.082 -10.212 1.00 0.00 N ATOM 366 CA PRO A 123 1.063 -3.050 -9.868 1.00 0.00 C ATOM 367 C PRO A 123 1.315 -4.421 -10.488 1.00 0.00 C ATOM 368 O PRO A 123 0.894 -5.443 -9.947 1.00 0.00 O ATOM 369 CB PRO A 123 -0.206 -2.424 -10.453 1.00 0.00 C ATOM 370 CG PRO A 123 0.277 -1.555 -11.563 1.00 0.00 C ATOM 371 CD PRO A 123 1.621 -1.038 -11.128 1.00 0.00 C ATOM 0 HA PRO A 123 1.011 -3.229 -8.794 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -0.892 -3.188 -10.818 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -0.744 -1.845 -9.702 1.00 0.00 H new ATOM 0 HG2 PRO A 123 0.358 -2.118 -12.493 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -0.416 -0.734 -11.746 1.00 0.00 H new ATOM 0 HD2 PRO A 123 2.292 -0.902 -11.976 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.538 -0.073 -10.629 1.00 0.00 H new ATOM 379 N GLU A 124 2.004 -4.434 -11.624 1.00 0.00 N ATOM 380 CA GLU A 124 2.312 -5.680 -12.317 1.00 0.00 C ATOM 381 C GLU A 124 3.395 -6.460 -11.577 1.00 0.00 C ATOM 382 O GLU A 124 3.447 -7.688 -11.646 1.00 0.00 O ATOM 383 CB GLU A 124 2.762 -5.395 -13.751 1.00 0.00 C ATOM 384 CG GLU A 124 3.885 -4.376 -13.845 1.00 0.00 C ATOM 385 CD GLU A 124 4.646 -4.466 -15.154 1.00 0.00 C ATOM 386 OE1 GLU A 124 3.992 -4.542 -16.215 1.00 0.00 O ATOM 387 OE2 GLU A 124 5.894 -4.461 -15.117 1.00 0.00 O ATOM 0 H GLU A 124 2.360 -3.596 -12.084 1.00 0.00 H new ATOM 0 HA GLU A 124 1.406 -6.285 -12.343 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.089 -6.327 -14.212 1.00 0.00 H new ATOM 0 HB3 GLU A 124 1.908 -5.037 -14.326 1.00 0.00 H new ATOM 0 HG2 GLU A 124 3.471 -3.373 -13.738 1.00 0.00 H new ATOM 0 HG3 GLU A 124 4.577 -4.525 -13.016 1.00 0.00 H new ATOM 394 N ASP A 125 4.258 -5.738 -10.872 1.00 0.00 N ATOM 395 CA ASP A 125 5.341 -6.361 -10.119 1.00 0.00 C ATOM 396 C ASP A 125 4.853 -6.824 -8.749 1.00 0.00 C ATOM 397 O ASP A 125 3.986 -6.197 -8.141 1.00 0.00 O ATOM 398 CB ASP A 125 6.505 -5.383 -9.955 1.00 0.00 C ATOM 399 CG ASP A 125 7.509 -5.484 -11.088 1.00 0.00 C ATOM 400 OD1 ASP A 125 7.273 -6.280 -12.021 1.00 0.00 O ATOM 401 OD2 ASP A 125 8.529 -4.766 -11.041 1.00 0.00 O ATOM 0 H ASP A 125 4.229 -4.721 -10.806 1.00 0.00 H new ATOM 0 HA ASP A 125 5.684 -7.232 -10.677 1.00 0.00 H new ATOM 0 HB2 ASP A 125 6.117 -4.366 -9.907 1.00 0.00 H new ATOM 0 HB3 ASP A 125 7.009 -5.577 -9.008 1.00 0.00 H new ATOM 406 N THR A 126 5.417 -7.929 -8.269 1.00 0.00 N ATOM 407 CA THR A 126 5.039 -8.478 -6.973 1.00 0.00 C ATOM 408 C THR A 126 6.267 -8.750 -6.112 1.00 0.00 C ATOM 409 O THR A 126 6.158 -8.936 -4.900 1.00 0.00 O ATOM 410 CB THR A 126 4.236 -9.783 -7.129 1.00 0.00 C ATOM 411 OG1 THR A 126 4.853 -10.624 -8.110 1.00 0.00 O ATOM 412 CG2 THR A 126 2.800 -9.489 -7.536 1.00 0.00 C ATOM 0 H THR A 126 6.137 -8.461 -8.759 1.00 0.00 H new ATOM 0 HA THR A 126 4.414 -7.731 -6.483 1.00 0.00 H new ATOM 0 HB THR A 126 4.227 -10.295 -6.167 1.00 0.00 H new ATOM 0 HG1 THR A 126 4.337 -11.452 -8.202 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.252 -10.426 -7.640 1.00 0.00 H new ATOM 0 HG22 THR A 126 2.324 -8.873 -6.773 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.793 -8.957 -8.487 1.00 0.00 H new ATOM 420 N ALA A 127 7.435 -8.772 -6.745 1.00 0.00 N ATOM 421 CA ALA A 127 8.684 -9.018 -6.036 1.00 0.00 C ATOM 422 C ALA A 127 9.726 -7.956 -6.372 1.00 0.00 C ATOM 423 O ALA A 127 9.594 -7.234 -7.360 1.00 0.00 O ATOM 424 CB ALA A 127 9.216 -10.405 -6.369 1.00 0.00 C ATOM 0 H ALA A 127 7.542 -8.622 -7.748 1.00 0.00 H new ATOM 0 HA ALA A 127 8.481 -8.965 -4.966 1.00 0.00 H new ATOM 0 HB1 ALA A 127 10.149 -10.575 -5.832 1.00 0.00 H new ATOM 0 HB2 ALA A 127 8.484 -11.156 -6.072 1.00 0.00 H new ATOM 0 HB3 ALA A 127 9.396 -10.478 -7.442 1.00 0.00 H new ATOM 430 N CYS A 128 10.760 -7.865 -5.543 1.00 0.00 N ATOM 431 CA CYS A 128 11.824 -6.891 -5.751 1.00 0.00 C ATOM 432 C CYS A 128 13.079 -7.564 -6.299 1.00 0.00 C ATOM 433 O CYS A 128 13.191 -8.789 -6.293 1.00 0.00 O ATOM 434 CB CYS A 128 12.149 -6.172 -4.440 1.00 0.00 C ATOM 435 SG CYS A 128 10.706 -5.406 -3.634 1.00 0.00 S ATOM 0 H CYS A 128 10.884 -8.455 -4.720 1.00 0.00 H new ATOM 0 HA CYS A 128 11.476 -6.161 -6.482 1.00 0.00 H new ATOM 0 HB2 CYS A 128 12.601 -6.884 -3.750 1.00 0.00 H new ATOM 0 HB3 CYS A 128 12.894 -5.401 -4.636 1.00 0.00 H new ATOM 440 N MET A 129 14.020 -6.753 -6.772 1.00 0.00 N ATOM 441 CA MET A 129 15.268 -7.270 -7.322 1.00 0.00 C ATOM 442 C MET A 129 16.447 -6.395 -6.910 1.00 0.00 C ATOM 443 O MET A 129 16.324 -5.174 -6.811 1.00 0.00 O ATOM 444 CB MET A 129 15.183 -7.347 -8.848 1.00 0.00 C ATOM 445 CG MET A 129 15.816 -8.602 -9.429 1.00 0.00 C ATOM 446 SD MET A 129 15.988 -8.527 -11.222 1.00 0.00 S ATOM 447 CE MET A 129 17.771 -8.542 -11.392 1.00 0.00 C ATOM 0 H MET A 129 13.942 -5.736 -6.785 1.00 0.00 H new ATOM 0 HA MET A 129 15.426 -8.272 -6.923 1.00 0.00 H new ATOM 0 HB2 MET A 129 14.136 -7.306 -9.148 1.00 0.00 H new ATOM 0 HB3 MET A 129 15.672 -6.472 -9.276 1.00 0.00 H new ATOM 0 HG2 MET A 129 16.798 -8.750 -8.980 1.00 0.00 H new ATOM 0 HG3 MET A 129 15.209 -9.467 -9.162 1.00 0.00 H new ATOM 0 HE1 MET A 129 18.048 -8.119 -12.357 1.00 0.00 H new ATOM 0 HE2 MET A 129 18.218 -7.949 -10.594 1.00 0.00 H new ATOM 0 HE3 MET A 129 18.134 -9.568 -11.328 1.00 0.00 H new ATOM 457 N THR A 130 17.592 -7.027 -6.671 1.00 0.00 N ATOM 458 CA THR A 130 18.793 -6.307 -6.268 1.00 0.00 C ATOM 459 C THR A 130 20.010 -6.786 -7.051 1.00 0.00 C ATOM 460 O THR A 130 20.002 -7.874 -7.628 1.00 0.00 O ATOM 461 CB THR A 130 19.069 -6.472 -4.761 1.00 0.00 C ATOM 462 OG1 THR A 130 17.841 -6.402 -4.028 1.00 0.00 O ATOM 463 CG2 THR A 130 20.024 -5.397 -4.265 1.00 0.00 C ATOM 0 H THR A 130 17.712 -8.037 -6.750 1.00 0.00 H new ATOM 0 HA THR A 130 18.617 -5.253 -6.484 1.00 0.00 H new ATOM 0 HB THR A 130 19.531 -7.447 -4.603 1.00 0.00 H new ATOM 0 HG1 THR A 130 17.348 -7.242 -4.135 1.00 0.00 H new ATOM 0 HG21 THR A 130 20.204 -5.534 -3.199 1.00 0.00 H new ATOM 0 HG22 THR A 130 20.968 -5.472 -4.805 1.00 0.00 H new ATOM 0 HG23 THR A 130 19.585 -4.414 -4.436 1.00 0.00 H new ATOM 471 N THR A 131 21.058 -5.967 -7.067 1.00 0.00 N ATOM 472 CA THR A 131 22.282 -6.308 -7.780 1.00 0.00 C ATOM 473 C THR A 131 23.511 -6.055 -6.913 1.00 0.00 C ATOM 474 O THR A 131 23.708 -4.951 -6.404 1.00 0.00 O ATOM 475 CB THR A 131 22.415 -5.501 -9.086 1.00 0.00 C ATOM 476 OG1 THR A 131 21.126 -5.322 -9.684 1.00 0.00 O ATOM 477 CG2 THR A 131 23.341 -6.206 -10.066 1.00 0.00 C ATOM 0 H THR A 131 21.083 -5.064 -6.594 1.00 0.00 H new ATOM 0 HA THR A 131 22.222 -7.369 -8.022 1.00 0.00 H new ATOM 0 HB THR A 131 22.842 -4.528 -8.844 1.00 0.00 H new ATOM 0 HG1 THR A 131 20.965 -4.367 -9.836 1.00 0.00 H new ATOM 0 HG21 THR A 131 23.419 -5.618 -10.980 1.00 0.00 H new ATOM 0 HG22 THR A 131 24.329 -6.315 -9.619 1.00 0.00 H new ATOM 0 HG23 THR A 131 22.939 -7.191 -10.302 1.00 0.00 H new ATOM 733 N THR A 148 22.707 -2.020 -7.338 1.00 0.00 N ATOM 734 CA THR A 148 21.443 -1.379 -7.678 1.00 0.00 C ATOM 735 C THR A 148 20.258 -2.216 -7.208 1.00 0.00 C ATOM 736 O THR A 148 20.424 -3.360 -6.785 1.00 0.00 O ATOM 737 CB THR A 148 21.322 -1.146 -9.196 1.00 0.00 C ATOM 738 OG1 THR A 148 21.347 -2.400 -9.888 1.00 0.00 O ATOM 739 CG2 THR A 148 22.453 -0.262 -9.699 1.00 0.00 C ATOM 0 HA THR A 148 21.430 -0.416 -7.168 1.00 0.00 H new ATOM 0 HB THR A 148 20.374 -0.643 -9.390 1.00 0.00 H new ATOM 0 HG1 THR A 148 21.268 -2.243 -10.852 1.00 0.00 H new ATOM 0 HG21 THR A 148 22.347 -0.111 -10.773 1.00 0.00 H new ATOM 0 HG22 THR A 148 22.414 0.702 -9.192 1.00 0.00 H new ATOM 0 HG23 THR A 148 23.409 -0.742 -9.493 1.00 0.00 H new ATOM 747 N ARG A 149 19.064 -1.638 -7.287 1.00 0.00 N ATOM 748 CA ARG A 149 17.851 -2.331 -6.869 1.00 0.00 C ATOM 749 C ARG A 149 16.643 -1.836 -7.658 1.00 0.00 C ATOM 750 O ARG A 149 16.421 -0.632 -7.783 1.00 0.00 O ATOM 751 CB ARG A 149 17.613 -2.129 -5.371 1.00 0.00 C ATOM 752 CG ARG A 149 16.917 -3.302 -4.702 1.00 0.00 C ATOM 753 CD ARG A 149 16.815 -3.105 -3.197 1.00 0.00 C ATOM 754 NE ARG A 149 17.705 -4.003 -2.466 1.00 0.00 N ATOM 755 CZ ARG A 149 18.165 -3.749 -1.246 1.00 0.00 C ATOM 756 NH1 ARG A 149 17.820 -2.630 -0.623 1.00 0.00 N ATOM 757 NH2 ARG A 149 18.971 -4.615 -0.646 1.00 0.00 N ATOM 0 H ARG A 149 18.911 -0.692 -7.636 1.00 0.00 H new ATOM 0 HA ARG A 149 17.983 -3.394 -7.069 1.00 0.00 H new ATOM 0 HB2 ARG A 149 18.571 -1.957 -4.879 1.00 0.00 H new ATOM 0 HB3 ARG A 149 17.014 -1.230 -5.225 1.00 0.00 H new ATOM 0 HG2 ARG A 149 15.919 -3.422 -5.123 1.00 0.00 H new ATOM 0 HG3 ARG A 149 17.465 -4.220 -4.914 1.00 0.00 H new ATOM 0 HD2 ARG A 149 17.059 -2.072 -2.949 1.00 0.00 H new ATOM 0 HD3 ARG A 149 15.787 -3.275 -2.878 1.00 0.00 H new ATOM 0 HE ARG A 149 17.989 -4.873 -2.917 1.00 0.00 H new ATOM 0 HH11 ARG A 149 17.200 -1.962 -1.081 1.00 0.00 H new ATOM 0 HH12 ARG A 149 18.175 -2.438 0.314 1.00 0.00 H new ATOM 0 HH21 ARG A 149 19.238 -5.477 -1.121 1.00 0.00 H new ATOM 0 HH22 ARG A 149 19.324 -4.419 0.291 1.00 0.00 H new ATOM 771 N SER A 150 15.865 -2.774 -8.190 1.00 0.00 N ATOM 772 CA SER A 150 14.682 -2.434 -8.971 1.00 0.00 C ATOM 773 C SER A 150 13.581 -3.471 -8.769 1.00 0.00 C ATOM 774 O SER A 150 13.847 -4.607 -8.375 1.00 0.00 O ATOM 775 CB SER A 150 15.037 -2.332 -10.455 1.00 0.00 C ATOM 776 OG SER A 150 15.817 -3.440 -10.871 1.00 0.00 O ATOM 0 H SER A 150 16.033 -3.775 -8.094 1.00 0.00 H new ATOM 0 HA SER A 150 14.314 -1.468 -8.626 1.00 0.00 H new ATOM 0 HB2 SER A 150 14.124 -2.283 -11.048 1.00 0.00 H new ATOM 0 HB3 SER A 150 15.586 -1.408 -10.638 1.00 0.00 H new ATOM 0 HG SER A 150 16.029 -3.352 -11.824 1.00 0.00 H new ATOM 782 N CYS A 151 12.344 -3.072 -9.043 1.00 0.00 N ATOM 783 CA CYS A 151 11.201 -3.965 -8.893 1.00 0.00 C ATOM 784 C CYS A 151 11.229 -5.067 -9.948 1.00 0.00 C ATOM 785 O CYS A 151 11.906 -4.946 -10.969 1.00 0.00 O ATOM 786 CB CYS A 151 9.894 -3.176 -8.998 1.00 0.00 C ATOM 787 SG CYS A 151 9.878 -1.631 -8.034 1.00 0.00 S ATOM 0 H CYS A 151 12.107 -2.135 -9.370 1.00 0.00 H new ATOM 0 HA CYS A 151 11.260 -4.428 -7.908 1.00 0.00 H new ATOM 0 HB2 CYS A 151 9.708 -2.940 -10.046 1.00 0.00 H new ATOM 0 HB3 CYS A 151 9.072 -3.809 -8.663 1.00 0.00 H new ATOM 792 N SER A 152 10.489 -6.142 -9.693 1.00 0.00 N ATOM 793 CA SER A 152 10.432 -7.267 -10.618 1.00 0.00 C ATOM 794 C SER A 152 9.083 -7.974 -10.530 1.00 0.00 C ATOM 795 O SER A 152 8.385 -7.880 -9.521 1.00 0.00 O ATOM 796 CB SER A 152 11.559 -8.257 -10.320 1.00 0.00 C ATOM 797 OG SER A 152 11.500 -9.374 -11.191 1.00 0.00 O ATOM 0 H SER A 152 9.921 -6.257 -8.854 1.00 0.00 H new ATOM 0 HA SER A 152 10.555 -6.881 -11.630 1.00 0.00 H new ATOM 0 HB2 SER A 152 12.523 -7.759 -10.427 1.00 0.00 H new ATOM 0 HB3 SER A 152 11.487 -8.594 -9.286 1.00 0.00 H new ATOM 0 HG SER A 152 12.232 -9.991 -10.981 1.00 0.00 H new ATOM 803 N SER A 153 8.722 -8.682 -11.596 1.00 0.00 N ATOM 804 CA SER A 153 7.455 -9.403 -11.642 1.00 0.00 C ATOM 805 C SER A 153 7.680 -10.906 -11.511 1.00 0.00 C ATOM 806 O SER A 153 6.794 -11.706 -11.812 1.00 0.00 O ATOM 807 CB SER A 153 6.718 -9.098 -12.948 1.00 0.00 C ATOM 808 OG SER A 153 7.613 -9.082 -14.047 1.00 0.00 O ATOM 0 H SER A 153 9.289 -8.772 -12.439 1.00 0.00 H new ATOM 0 HA SER A 153 6.845 -9.070 -10.802 1.00 0.00 H new ATOM 0 HB2 SER A 153 5.944 -9.847 -13.116 1.00 0.00 H new ATOM 0 HB3 SER A 153 6.216 -8.134 -12.869 1.00 0.00 H new ATOM 0 HG SER A 153 7.117 -8.887 -14.870 1.00 0.00 H new ATOM 814 N SER A 154 8.873 -11.283 -11.061 1.00 0.00 N ATOM 815 CA SER A 154 9.217 -12.690 -10.893 1.00 0.00 C ATOM 816 C SER A 154 10.603 -12.840 -10.274 1.00 0.00 C ATOM 817 O SER A 154 11.618 -12.741 -10.964 1.00 0.00 O ATOM 818 CB SER A 154 9.167 -13.413 -12.240 1.00 0.00 C ATOM 819 OG SER A 154 9.690 -12.599 -13.276 1.00 0.00 O ATOM 0 H SER A 154 9.617 -10.634 -10.806 1.00 0.00 H new ATOM 0 HA SER A 154 8.487 -13.139 -10.220 1.00 0.00 H new ATOM 0 HB2 SER A 154 9.736 -14.341 -12.180 1.00 0.00 H new ATOM 0 HB3 SER A 154 8.137 -13.685 -12.472 1.00 0.00 H new ATOM 0 HG SER A 154 10.576 -12.270 -13.018 1.00 0.00 H new ATOM 825 N CYS A 155 10.638 -13.079 -8.967 1.00 0.00 N ATOM 826 CA CYS A 155 11.897 -13.242 -8.252 1.00 0.00 C ATOM 827 C CYS A 155 12.612 -14.516 -8.693 1.00 0.00 C ATOM 828 O CYS A 155 12.253 -15.618 -8.277 1.00 0.00 O ATOM 829 CB CYS A 155 11.650 -13.280 -6.743 1.00 0.00 C ATOM 830 SG CYS A 155 13.026 -13.988 -5.781 1.00 0.00 S ATOM 0 H CYS A 155 9.807 -13.164 -8.381 1.00 0.00 H new ATOM 0 HA CYS A 155 12.533 -12.389 -8.488 1.00 0.00 H new ATOM 0 HB2 CYS A 155 11.459 -12.266 -6.391 1.00 0.00 H new ATOM 0 HB3 CYS A 155 10.748 -13.860 -6.548 1.00 0.00 H new ATOM 835 N VAL A 156 13.626 -14.357 -9.539 1.00 0.00 N ATOM 836 CA VAL A 156 14.392 -15.494 -10.036 1.00 0.00 C ATOM 837 C VAL A 156 15.846 -15.109 -10.286 1.00 0.00 C ATOM 838 O VAL A 156 16.146 -13.963 -10.621 1.00 0.00 O ATOM 839 CB VAL A 156 13.788 -16.051 -11.338 1.00 0.00 C ATOM 840 CG1 VAL A 156 14.511 -17.321 -11.761 1.00 0.00 C ATOM 841 CG2 VAL A 156 12.298 -16.308 -11.167 1.00 0.00 C ATOM 0 H VAL A 156 13.936 -13.452 -9.894 1.00 0.00 H new ATOM 0 HA VAL A 156 14.351 -16.265 -9.267 1.00 0.00 H new ATOM 0 HB VAL A 156 13.917 -15.308 -12.125 1.00 0.00 H new ATOM 0 HG11 VAL A 156 14.071 -17.700 -12.683 1.00 0.00 H new ATOM 0 HG12 VAL A 156 15.566 -17.101 -11.926 1.00 0.00 H new ATOM 0 HG13 VAL A 156 14.415 -18.072 -10.977 1.00 0.00 H new ATOM 0 HG21 VAL A 156 11.888 -16.701 -12.097 1.00 0.00 H new ATOM 0 HG22 VAL A 156 12.143 -17.032 -10.367 1.00 0.00 H new ATOM 0 HG23 VAL A 156 11.794 -15.375 -10.914 1.00 0.00 H new ATOM 987 N LEU A 168 25.311 -11.478 -8.275 1.00 0.00 N ATOM 988 CA LEU A 168 24.706 -11.570 -6.951 1.00 0.00 C ATOM 989 C LEU A 168 23.357 -10.858 -6.917 1.00 0.00 C ATOM 990 O LEU A 168 23.245 -9.743 -6.406 1.00 0.00 O ATOM 991 CB LEU A 168 25.639 -10.968 -5.899 1.00 0.00 C ATOM 992 CG LEU A 168 26.692 -11.912 -5.316 1.00 0.00 C ATOM 993 CD1 LEU A 168 26.073 -12.811 -4.258 1.00 0.00 C ATOM 994 CD2 LEU A 168 27.331 -12.743 -6.419 1.00 0.00 C ATOM 0 HA LEU A 168 24.545 -12.624 -6.725 1.00 0.00 H new ATOM 0 HB2 LEU A 168 26.151 -10.114 -6.343 1.00 0.00 H new ATOM 0 HB3 LEU A 168 25.031 -10.584 -5.080 1.00 0.00 H new ATOM 0 HG LEU A 168 27.470 -11.313 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 168 26.836 -13.476 -3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 168 25.663 -12.199 -3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 168 25.275 -13.404 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 168 28.078 -13.409 -5.987 1.00 0.00 H new ATOM 0 HD22 LEU A 168 26.564 -13.334 -6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 168 27.809 -12.082 -7.142 1.00 0.00 H new ATOM 1006 N ILE A 169 22.336 -11.510 -7.463 1.00 0.00 N ATOM 1007 CA ILE A 169 20.995 -10.941 -7.493 1.00 0.00 C ATOM 1008 C ILE A 169 20.196 -11.351 -6.260 1.00 0.00 C ATOM 1009 O ILE A 169 20.192 -12.519 -5.869 1.00 0.00 O ATOM 1010 CB ILE A 169 20.227 -11.374 -8.755 1.00 0.00 C ATOM 1011 CG1 ILE A 169 20.977 -10.930 -10.013 1.00 0.00 C ATOM 1012 CG2 ILE A 169 18.818 -10.800 -8.742 1.00 0.00 C ATOM 1013 CD1 ILE A 169 21.261 -9.445 -10.054 1.00 0.00 C ATOM 0 H ILE A 169 22.412 -12.433 -7.891 1.00 0.00 H new ATOM 0 HA ILE A 169 21.113 -9.857 -7.504 1.00 0.00 H new ATOM 0 HB ILE A 169 20.155 -12.462 -8.762 1.00 0.00 H new ATOM 0 HG12 ILE A 169 21.920 -11.474 -10.075 1.00 0.00 H new ATOM 0 HG13 ILE A 169 20.392 -11.204 -10.891 1.00 0.00 H new ATOM 0 HG21 ILE A 169 18.288 -11.115 -9.641 1.00 0.00 H new ATOM 0 HG22 ILE A 169 18.286 -11.161 -7.862 1.00 0.00 H new ATOM 0 HG23 ILE A 169 18.869 -9.712 -8.714 1.00 0.00 H new ATOM 0 HD11 ILE A 169 21.795 -9.202 -10.973 1.00 0.00 H new ATOM 0 HD12 ILE A 169 20.321 -8.894 -10.023 1.00 0.00 H new ATOM 0 HD13 ILE A 169 21.872 -9.168 -9.195 1.00 0.00 H new ATOM 1025 N PHE A 170 19.519 -10.383 -5.651 1.00 0.00 N ATOM 1026 CA PHE A 170 18.715 -10.643 -4.463 1.00 0.00 C ATOM 1027 C PHE A 170 17.286 -10.143 -4.652 1.00 0.00 C ATOM 1028 O PHE A 170 17.044 -8.938 -4.739 1.00 0.00 O ATOM 1029 CB PHE A 170 19.344 -9.973 -3.239 1.00 0.00 C ATOM 1030 CG PHE A 170 20.311 -10.856 -2.503 1.00 0.00 C ATOM 1031 CD1 PHE A 170 21.563 -11.125 -3.031 1.00 0.00 C ATOM 1032 CD2 PHE A 170 19.967 -11.416 -1.284 1.00 0.00 C ATOM 1033 CE1 PHE A 170 22.456 -11.936 -2.356 1.00 0.00 C ATOM 1034 CE2 PHE A 170 20.855 -12.228 -0.604 1.00 0.00 C ATOM 1035 CZ PHE A 170 22.101 -12.490 -1.141 1.00 0.00 C ATOM 0 H PHE A 170 19.511 -9.411 -5.961 1.00 0.00 H new ATOM 0 HA PHE A 170 18.686 -11.721 -4.304 1.00 0.00 H new ATOM 0 HB2 PHE A 170 19.861 -9.067 -3.556 1.00 0.00 H new ATOM 0 HB3 PHE A 170 18.552 -9.666 -2.556 1.00 0.00 H new ATOM 0 HD1 PHE A 170 21.845 -10.696 -3.981 1.00 0.00 H new ATOM 0 HD2 PHE A 170 18.994 -11.216 -0.860 1.00 0.00 H new ATOM 0 HE1 PHE A 170 23.430 -12.136 -2.778 1.00 0.00 H new ATOM 0 HE2 PHE A 170 20.575 -12.658 0.347 1.00 0.00 H new ATOM 0 HZ PHE A 170 22.796 -13.126 -0.612 1.00 0.00 H new ATOM 1045 N CYS A 171 16.343 -11.076 -4.716 1.00 0.00 N ATOM 1046 CA CYS A 171 14.937 -10.732 -4.897 1.00 0.00 C ATOM 1047 C CYS A 171 14.111 -11.169 -3.690 1.00 0.00 C ATOM 1048 O CYS A 171 14.519 -12.048 -2.930 1.00 0.00 O ATOM 1049 CB CYS A 171 14.390 -11.385 -6.167 1.00 0.00 C ATOM 1050 SG CYS A 171 14.738 -13.169 -6.296 1.00 0.00 S ATOM 0 H CYS A 171 16.526 -12.077 -4.645 1.00 0.00 H new ATOM 0 HA CYS A 171 14.863 -9.649 -4.993 1.00 0.00 H new ATOM 0 HB2 CYS A 171 13.311 -11.233 -6.205 1.00 0.00 H new ATOM 0 HB3 CYS A 171 14.814 -10.879 -7.034 1.00 0.00 H new ATOM 1055 N CYS A 172 12.948 -10.551 -3.521 1.00 0.00 N ATOM 1056 CA CYS A 172 12.063 -10.874 -2.409 1.00 0.00 C ATOM 1057 C CYS A 172 10.618 -10.516 -2.741 1.00 0.00 C ATOM 1058 O CYS A 172 10.341 -9.894 -3.767 1.00 0.00 O ATOM 1059 CB CYS A 172 12.506 -10.133 -1.146 1.00 0.00 C ATOM 1060 SG CYS A 172 12.921 -8.380 -1.419 1.00 0.00 S ATOM 0 H CYS A 172 12.596 -9.822 -4.141 1.00 0.00 H new ATOM 0 HA CYS A 172 12.121 -11.948 -2.232 1.00 0.00 H new ATOM 0 HB2 CYS A 172 11.711 -10.196 -0.403 1.00 0.00 H new ATOM 0 HB3 CYS A 172 13.375 -10.640 -0.726 1.00 0.00 H new ATOM 1065 N PHE A 173 9.700 -10.912 -1.866 1.00 0.00 N ATOM 1066 CA PHE A 173 8.282 -10.634 -2.066 1.00 0.00 C ATOM 1067 C PHE A 173 7.705 -9.868 -0.878 1.00 0.00 C ATOM 1068 O PHE A 173 6.542 -10.045 -0.518 1.00 0.00 O ATOM 1069 CB PHE A 173 7.509 -11.938 -2.270 1.00 0.00 C ATOM 1070 CG PHE A 173 7.549 -12.444 -3.684 1.00 0.00 C ATOM 1071 CD1 PHE A 173 6.692 -11.927 -4.643 1.00 0.00 C ATOM 1072 CD2 PHE A 173 8.443 -13.435 -4.054 1.00 0.00 C ATOM 1073 CE1 PHE A 173 6.727 -12.391 -5.944 1.00 0.00 C ATOM 1074 CE2 PHE A 173 8.482 -13.903 -5.354 1.00 0.00 C ATOM 1075 CZ PHE A 173 7.624 -13.379 -6.300 1.00 0.00 C ATOM 0 H PHE A 173 9.912 -11.427 -1.011 1.00 0.00 H new ATOM 0 HA PHE A 173 8.181 -10.016 -2.958 1.00 0.00 H new ATOM 0 HB2 PHE A 173 7.918 -12.701 -1.608 1.00 0.00 H new ATOM 0 HB3 PHE A 173 6.470 -11.785 -1.977 1.00 0.00 H new ATOM 0 HD1 PHE A 173 5.989 -11.153 -4.370 1.00 0.00 H new ATOM 0 HD2 PHE A 173 9.118 -13.847 -3.318 1.00 0.00 H new ATOM 0 HE1 PHE A 173 6.053 -11.981 -6.682 1.00 0.00 H new ATOM 0 HE2 PHE A 173 9.183 -14.677 -5.629 1.00 0.00 H new ATOM 0 HZ PHE A 173 7.654 -13.741 -7.317 1.00 0.00 H new ATOM 1085 N ARG A 174 8.529 -9.017 -0.275 1.00 0.00 N ATOM 1086 CA ARG A 174 8.102 -8.226 0.873 1.00 0.00 C ATOM 1087 C ARG A 174 8.579 -6.782 0.745 1.00 0.00 C ATOM 1088 O ARG A 174 9.715 -6.526 0.345 1.00 0.00 O ATOM 1089 CB ARG A 174 8.636 -8.838 2.169 1.00 0.00 C ATOM 1090 CG ARG A 174 7.977 -10.157 2.537 1.00 0.00 C ATOM 1091 CD ARG A 174 8.714 -10.851 3.672 1.00 0.00 C ATOM 1092 NE ARG A 174 9.657 -11.852 3.180 1.00 0.00 N ATOM 1093 CZ ARG A 174 10.655 -12.341 3.907 1.00 0.00 C ATOM 1094 NH1 ARG A 174 10.840 -11.923 5.152 1.00 0.00 N ATOM 1095 NH2 ARG A 174 11.472 -13.250 3.389 1.00 0.00 N ATOM 0 H ARG A 174 9.495 -8.858 -0.562 1.00 0.00 H new ATOM 0 HA ARG A 174 7.012 -8.230 0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.710 -8.993 2.072 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.489 -8.129 2.983 1.00 0.00 H new ATOM 0 HG2 ARG A 174 6.942 -9.979 2.829 1.00 0.00 H new ATOM 0 HG3 ARG A 174 7.954 -10.809 1.664 1.00 0.00 H new ATOM 0 HD2 ARG A 174 9.249 -10.109 4.264 1.00 0.00 H new ATOM 0 HD3 ARG A 174 7.992 -11.328 4.335 1.00 0.00 H new ATOM 0 HE ARG A 174 9.543 -12.194 2.226 1.00 0.00 H new ATOM 0 HH11 ARG A 174 10.215 -11.224 5.554 1.00 0.00 H new ATOM 0 HH12 ARG A 174 11.607 -12.300 5.708 1.00 0.00 H new ATOM 0 HH21 ARG A 174 11.334 -13.574 2.432 1.00 0.00 H new ATOM 0 HH22 ARG A 174 12.238 -13.625 3.948 1.00 0.00 H new ATOM 1109 N ASP A 175 7.704 -5.843 1.087 1.00 0.00 N ATOM 1110 CA ASP A 175 8.036 -4.425 1.011 1.00 0.00 C ATOM 1111 C ASP A 175 9.235 -4.099 1.896 1.00 0.00 C ATOM 1112 O ASP A 175 9.206 -4.323 3.106 1.00 0.00 O ATOM 1113 CB ASP A 175 6.834 -3.575 1.426 1.00 0.00 C ATOM 1114 CG ASP A 175 5.531 -4.093 0.849 1.00 0.00 C ATOM 1115 OD1 ASP A 175 5.071 -5.165 1.294 1.00 0.00 O ATOM 1116 OD2 ASP A 175 4.973 -3.427 -0.048 1.00 0.00 O ATOM 0 H ASP A 175 6.760 -6.038 1.420 1.00 0.00 H new ATOM 0 HA ASP A 175 8.296 -4.193 -0.022 1.00 0.00 H new ATOM 0 HB2 ASP A 175 6.764 -3.556 2.514 1.00 0.00 H new ATOM 0 HB3 ASP A 175 6.989 -2.547 1.099 1.00 0.00 H new ATOM 1121 N LEU A 176 10.289 -3.571 1.283 1.00 0.00 N ATOM 1122 CA LEU A 176 11.500 -3.215 2.015 1.00 0.00 C ATOM 1123 C LEU A 176 12.111 -4.441 2.686 1.00 0.00 C ATOM 1124 O LEU A 176 12.648 -4.355 3.791 1.00 0.00 O ATOM 1125 CB LEU A 176 11.189 -2.147 3.065 1.00 0.00 C ATOM 1126 CG LEU A 176 10.355 -0.958 2.587 1.00 0.00 C ATOM 1127 CD1 LEU A 176 10.328 0.135 3.644 1.00 0.00 C ATOM 1128 CD2 LEU A 176 10.899 -0.419 1.273 1.00 0.00 C ATOM 0 H LEU A 176 10.330 -3.380 0.282 1.00 0.00 H new ATOM 0 HA LEU A 176 12.222 -2.816 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 176 10.665 -2.623 3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 176 12.132 -1.768 3.459 1.00 0.00 H new ATOM 0 HG LEU A 176 9.333 -1.299 2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 176 9.730 0.973 3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 176 9.890 -0.257 4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 176 11.345 0.474 3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 176 10.293 0.427 0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 176 11.930 -0.095 1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 176 10.864 -1.202 0.516 1.00 0.00 H new ATOM 1140 N CYS A 177 12.028 -5.582 2.010 1.00 0.00 N ATOM 1141 CA CYS A 177 12.574 -6.826 2.538 1.00 0.00 C ATOM 1142 C CYS A 177 14.031 -6.647 2.956 1.00 0.00 C ATOM 1143 O CYS A 177 14.541 -7.383 3.799 1.00 0.00 O ATOM 1144 CB CYS A 177 12.465 -7.939 1.494 1.00 0.00 C ATOM 1145 SG CYS A 177 13.837 -7.972 0.296 1.00 0.00 S ATOM 0 H CYS A 177 11.587 -5.671 1.094 1.00 0.00 H new ATOM 0 HA CYS A 177 11.993 -7.104 3.418 1.00 0.00 H new ATOM 0 HB2 CYS A 177 12.421 -8.900 2.006 1.00 0.00 H new ATOM 0 HB3 CYS A 177 11.526 -7.824 0.952 1.00 0.00 H new ATOM 1150 N ASN A 178 14.695 -5.662 2.359 1.00 0.00 N ATOM 1151 CA ASN A 178 16.093 -5.385 2.669 1.00 0.00 C ATOM 1152 C ASN A 178 16.361 -3.883 2.678 1.00 0.00 C ATOM 1153 O ASN A 178 16.244 -3.215 1.651 1.00 0.00 O ATOM 1154 CB ASN A 178 17.007 -6.072 1.653 1.00 0.00 C ATOM 1155 CG ASN A 178 16.464 -5.991 0.239 1.00 0.00 C ATOM 1156 OD1 ASN A 178 15.742 -5.057 -0.108 1.00 0.00 O ATOM 1157 ND2 ASN A 178 16.811 -6.974 -0.585 1.00 0.00 N ATOM 0 H ASN A 178 14.288 -5.043 1.658 1.00 0.00 H new ATOM 0 HA ASN A 178 16.305 -5.779 3.663 1.00 0.00 H new ATOM 0 HB2 ASN A 178 17.994 -5.612 1.687 1.00 0.00 H new ATOM 0 HB3 ASN A 178 17.133 -7.118 1.931 1.00 0.00 H new ATOM 0 HD21 ASN A 178 16.476 -6.974 -1.549 1.00 0.00 H new ATOM 0 HD22 ASN A 178 17.412 -7.729 -0.254 1.00 0.00 H new