USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 262 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 129 MET CE :methyl -170:sc= 0 (180deg=-0.0123) USER MOD Set 1.2: A 152 SER OG : rot -170:sc=-0.00974 USER MOD Set 2.1: A 105 THR OG1 : rot 170:sc= -0.619 USER MOD Set 2.2: A 119 THR OG1 : rot 147:sc= 1.25 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc=-0.00199 USER MOD Single : A 106 CYS SG : rot 180:sc= 0.0912 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 84:sc= 1.95 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 153 SER OG : rot 180:sc= 0.00117 USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 101 2.716 -1.588 -3.000 1.00 0.00 N ATOM 19 CA LEU A 101 3.240 -2.911 -3.320 1.00 0.00 C ATOM 20 C LEU A 101 4.733 -2.994 -3.015 1.00 0.00 C ATOM 21 O LEU A 101 5.524 -2.188 -3.506 1.00 0.00 O ATOM 22 CB LEU A 101 2.991 -3.236 -4.794 1.00 0.00 C ATOM 23 CG LEU A 101 2.741 -4.708 -5.123 1.00 0.00 C ATOM 24 CD1 LEU A 101 3.119 -5.004 -6.567 1.00 0.00 C ATOM 25 CD2 LEU A 101 3.518 -5.607 -4.172 1.00 0.00 C ATOM 0 HA LEU A 101 2.720 -3.641 -2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.132 -2.658 -5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.851 -2.896 -5.371 1.00 0.00 H new ATOM 0 HG LEU A 101 1.678 -4.913 -4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.934 -6.056 -6.783 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.519 -4.386 -7.234 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.175 -4.782 -6.719 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.328 -6.651 -4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.584 -5.400 -4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.199 -5.415 -3.148 1.00 0.00 H new ATOM 37 N LYS A 102 5.111 -3.975 -2.203 1.00 0.00 N ATOM 38 CA LYS A 102 6.509 -4.168 -1.834 1.00 0.00 C ATOM 39 C LYS A 102 7.046 -5.477 -2.402 1.00 0.00 C ATOM 40 O LYS A 102 6.439 -6.535 -2.232 1.00 0.00 O ATOM 41 CB LYS A 102 6.661 -4.159 -0.311 1.00 0.00 C ATOM 42 CG LYS A 102 6.578 -2.771 0.300 1.00 0.00 C ATOM 43 CD LYS A 102 5.480 -2.689 1.348 1.00 0.00 C ATOM 44 CE LYS A 102 6.007 -3.021 2.735 1.00 0.00 C ATOM 45 NZ LYS A 102 4.917 -3.055 3.749 1.00 0.00 N ATOM 0 H LYS A 102 4.469 -4.649 -1.787 1.00 0.00 H new ATOM 0 HA LYS A 102 7.087 -3.346 -2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.885 -4.787 0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.619 -4.606 -0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.535 -2.514 0.753 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.390 -2.038 -0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.052 -1.686 1.351 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.676 -3.378 1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.510 -3.987 2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.752 -2.281 3.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.317 -3.285 4.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.453 -2.125 3.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.219 -3.779 3.484 1.00 0.00 H new ATOM 59 N CYS A 103 8.188 -5.400 -3.076 1.00 0.00 N ATOM 60 CA CYS A 103 8.809 -6.579 -3.669 1.00 0.00 C ATOM 61 C CYS A 103 10.301 -6.625 -3.353 1.00 0.00 C ATOM 62 O CYS A 103 10.978 -5.597 -3.352 1.00 0.00 O ATOM 63 CB CYS A 103 8.596 -6.586 -5.184 1.00 0.00 C ATOM 64 SG CYS A 103 6.904 -6.151 -5.699 1.00 0.00 S ATOM 0 H CYS A 103 8.703 -4.532 -3.226 1.00 0.00 H new ATOM 0 HA CYS A 103 8.337 -7.463 -3.239 1.00 0.00 H new ATOM 0 HB2 CYS A 103 9.295 -5.886 -5.642 1.00 0.00 H new ATOM 0 HB3 CYS A 103 8.838 -7.576 -5.570 1.00 0.00 H new ATOM 69 N TYR A 104 10.806 -7.824 -3.087 1.00 0.00 N ATOM 70 CA TYR A 104 12.218 -8.005 -2.767 1.00 0.00 C ATOM 71 C TYR A 104 13.090 -7.761 -3.995 1.00 0.00 C ATOM 72 O TYR A 104 13.439 -8.694 -4.719 1.00 0.00 O ATOM 73 CB TYR A 104 12.463 -9.414 -2.225 1.00 0.00 C ATOM 74 CG TYR A 104 12.135 -9.563 -0.757 1.00 0.00 C ATOM 75 CD1 TYR A 104 12.884 -8.909 0.213 1.00 0.00 C ATOM 76 CD2 TYR A 104 11.074 -10.358 -0.340 1.00 0.00 C ATOM 77 CE1 TYR A 104 12.588 -9.044 1.556 1.00 0.00 C ATOM 78 CE2 TYR A 104 10.770 -10.497 1.001 1.00 0.00 C ATOM 79 CZ TYR A 104 11.530 -9.838 1.945 1.00 0.00 C ATOM 80 OH TYR A 104 11.231 -9.974 3.281 1.00 0.00 O ATOM 0 H TYR A 104 10.260 -8.685 -3.086 1.00 0.00 H new ATOM 0 HA TYR A 104 12.488 -7.277 -2.002 1.00 0.00 H new ATOM 0 HB2 TYR A 104 11.864 -10.123 -2.796 1.00 0.00 H new ATOM 0 HB3 TYR A 104 13.508 -9.679 -2.384 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.712 -8.284 -0.088 1.00 0.00 H new ATOM 0 HD2 TYR A 104 10.477 -10.876 -1.076 1.00 0.00 H new ATOM 0 HE1 TYR A 104 13.182 -8.530 2.297 1.00 0.00 H new ATOM 0 HE2 TYR A 104 9.942 -11.118 1.308 1.00 0.00 H new ATOM 0 HH TYR A 104 10.457 -10.566 3.384 1.00 0.00 H new ATOM 90 N THR A 105 13.439 -6.499 -4.224 1.00 0.00 N ATOM 91 CA THR A 105 14.269 -6.131 -5.364 1.00 0.00 C ATOM 92 C THR A 105 15.583 -5.506 -4.908 1.00 0.00 C ATOM 93 O THR A 105 15.591 -4.527 -4.161 1.00 0.00 O ATOM 94 CB THR A 105 13.540 -5.143 -6.294 1.00 0.00 C ATOM 95 OG1 THR A 105 13.620 -3.816 -5.760 1.00 0.00 O ATOM 96 CG2 THR A 105 12.082 -5.538 -6.467 1.00 0.00 C ATOM 0 H THR A 105 13.160 -5.715 -3.635 1.00 0.00 H new ATOM 0 HA THR A 105 14.477 -7.049 -5.913 1.00 0.00 H new ATOM 0 HB THR A 105 14.026 -5.171 -7.269 1.00 0.00 H new ATOM 0 HG1 THR A 105 13.299 -3.175 -6.428 1.00 0.00 H new ATOM 0 HG21 THR A 105 11.588 -4.826 -7.128 1.00 0.00 H new ATOM 0 HG22 THR A 105 12.025 -6.536 -6.901 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.587 -5.536 -5.496 1.00 0.00 H new ATOM 104 N CYS A 106 16.693 -6.079 -5.361 1.00 0.00 N ATOM 105 CA CYS A 106 18.014 -5.578 -5.000 1.00 0.00 C ATOM 106 C CYS A 106 18.426 -4.424 -5.909 1.00 0.00 C ATOM 107 O CYS A 106 17.779 -4.155 -6.921 1.00 0.00 O ATOM 108 CB CYS A 106 19.049 -6.702 -5.084 1.00 0.00 C ATOM 109 SG CYS A 106 19.098 -7.548 -6.697 1.00 0.00 S ATOM 0 H CYS A 106 16.704 -6.891 -5.979 1.00 0.00 H new ATOM 0 HA CYS A 106 17.968 -5.211 -3.975 1.00 0.00 H new ATOM 0 HB2 CYS A 106 20.035 -6.290 -4.872 1.00 0.00 H new ATOM 0 HB3 CYS A 106 18.836 -7.436 -4.307 1.00 0.00 H new ATOM 0 HG CYS A 106 20.004 -8.480 -6.671 1.00 0.00 H new ATOM 276 N ILE A 118 13.903 -5.421 0.675 1.00 0.00 N ATOM 277 CA ILE A 118 12.547 -4.898 0.562 1.00 0.00 C ATOM 278 C ILE A 118 12.534 -3.554 -0.159 1.00 0.00 C ATOM 279 O ILE A 118 13.086 -2.568 0.330 1.00 0.00 O ATOM 280 CB ILE A 118 11.891 -4.732 1.945 1.00 0.00 C ATOM 281 CG1 ILE A 118 11.912 -6.059 2.707 1.00 0.00 C ATOM 282 CG2 ILE A 118 10.466 -4.222 1.798 1.00 0.00 C ATOM 283 CD1 ILE A 118 11.336 -5.964 4.102 1.00 0.00 C ATOM 0 HA ILE A 118 11.976 -5.624 -0.017 1.00 0.00 H new ATOM 0 HB ILE A 118 12.461 -3.999 2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 118 11.351 -6.803 2.141 1.00 0.00 H new ATOM 0 HG13 ILE A 118 12.940 -6.416 2.771 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.016 -4.110 2.784 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.475 -3.257 1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.884 -4.933 1.212 1.00 0.00 H new ATOM 0 HD11 ILE A 118 11.383 -6.941 4.583 1.00 0.00 H new ATOM 0 HD12 ILE A 118 11.911 -5.245 4.685 1.00 0.00 H new ATOM 0 HD13 ILE A 118 10.298 -5.638 4.045 1.00 0.00 H new ATOM 295 N THR A 119 11.899 -3.521 -1.326 1.00 0.00 N ATOM 296 CA THR A 119 11.813 -2.299 -2.116 1.00 0.00 C ATOM 297 C THR A 119 10.361 -1.926 -2.395 1.00 0.00 C ATOM 298 O THR A 119 9.510 -2.798 -2.573 1.00 0.00 O ATOM 299 CB THR A 119 12.562 -2.441 -3.454 1.00 0.00 C ATOM 300 OG1 THR A 119 13.968 -2.575 -3.217 1.00 0.00 O ATOM 301 CG2 THR A 119 12.305 -1.237 -4.348 1.00 0.00 C ATOM 0 H THR A 119 11.436 -4.327 -1.745 1.00 0.00 H new ATOM 0 HA THR A 119 12.281 -1.509 -1.529 1.00 0.00 H new ATOM 0 HB THR A 119 12.193 -3.334 -3.959 1.00 0.00 H new ATOM 0 HG1 THR A 119 14.360 -3.162 -3.897 1.00 0.00 H new ATOM 0 HG21 THR A 119 12.844 -1.360 -5.287 1.00 0.00 H new ATOM 0 HG22 THR A 119 11.237 -1.156 -4.551 1.00 0.00 H new ATOM 0 HG23 THR A 119 12.649 -0.332 -3.847 1.00 0.00 H new ATOM 309 N ARG A 120 10.086 -0.627 -2.434 1.00 0.00 N ATOM 310 CA ARG A 120 8.736 -0.139 -2.692 1.00 0.00 C ATOM 311 C ARG A 120 8.501 0.042 -4.188 1.00 0.00 C ATOM 312 O ARG A 120 9.247 0.750 -4.864 1.00 0.00 O ATOM 313 CB ARG A 120 8.502 1.186 -1.964 1.00 0.00 C ATOM 314 CG ARG A 120 9.156 1.252 -0.594 1.00 0.00 C ATOM 315 CD ARG A 120 10.436 2.074 -0.626 1.00 0.00 C ATOM 316 NE ARG A 120 11.545 1.385 0.027 1.00 0.00 N ATOM 317 CZ ARG A 120 12.822 1.692 -0.175 1.00 0.00 C ATOM 318 NH1 ARG A 120 13.148 2.672 -1.007 1.00 0.00 N ATOM 319 NH2 ARG A 120 13.775 1.019 0.456 1.00 0.00 N ATOM 0 H ARG A 120 10.780 0.107 -2.290 1.00 0.00 H new ATOM 0 HA ARG A 120 8.030 -0.881 -2.318 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.884 2.001 -2.579 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.429 1.345 -1.853 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.460 1.689 0.122 1.00 0.00 H new ATOM 0 HG3 ARG A 120 9.379 0.243 -0.247 1.00 0.00 H new ATOM 0 HD2 ARG A 120 10.702 2.290 -1.661 1.00 0.00 H new ATOM 0 HD3 ARG A 120 10.264 3.032 -0.134 1.00 0.00 H new ATOM 0 HE ARG A 120 11.328 0.627 0.674 1.00 0.00 H new ATOM 0 HH11 ARG A 120 12.418 3.192 -1.494 1.00 0.00 H new ATOM 0 HH12 ARG A 120 14.129 2.906 -1.160 1.00 0.00 H new ATOM 0 HH21 ARG A 120 13.528 0.265 1.097 1.00 0.00 H new ATOM 0 HH22 ARG A 120 14.755 1.255 0.300 1.00 0.00 H new ATOM 333 N CYS A 121 7.458 -0.604 -4.700 1.00 0.00 N ATOM 334 CA CYS A 121 7.123 -0.516 -6.116 1.00 0.00 C ATOM 335 C CYS A 121 6.374 0.779 -6.419 1.00 0.00 C ATOM 336 O CYS A 121 6.166 1.610 -5.535 1.00 0.00 O ATOM 337 CB CYS A 121 6.276 -1.718 -6.537 1.00 0.00 C ATOM 338 SG CYS A 121 7.140 -3.317 -6.412 1.00 0.00 S ATOM 0 H CYS A 121 6.830 -1.194 -4.154 1.00 0.00 H new ATOM 0 HA CYS A 121 8.053 -0.518 -6.684 1.00 0.00 H new ATOM 0 HB2 CYS A 121 5.380 -1.752 -5.918 1.00 0.00 H new ATOM 0 HB3 CYS A 121 5.947 -1.574 -7.566 1.00 0.00 H new ATOM 343 N LYS A 122 5.971 0.943 -7.674 1.00 0.00 N ATOM 344 CA LYS A 122 5.244 2.135 -8.095 1.00 0.00 C ATOM 345 C LYS A 122 3.753 1.993 -7.807 1.00 0.00 C ATOM 346 O LYS A 122 3.238 0.893 -7.605 1.00 0.00 O ATOM 347 CB LYS A 122 5.463 2.390 -9.588 1.00 0.00 C ATOM 348 CG LYS A 122 6.804 1.893 -10.100 1.00 0.00 C ATOM 349 CD LYS A 122 7.285 2.708 -11.289 1.00 0.00 C ATOM 350 CE LYS A 122 8.444 2.026 -12.000 1.00 0.00 C ATOM 351 NZ LYS A 122 9.538 2.984 -12.320 1.00 0.00 N ATOM 0 H LYS A 122 6.136 0.265 -8.418 1.00 0.00 H new ATOM 0 HA LYS A 122 5.627 2.983 -7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.666 1.905 -10.152 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.384 3.460 -9.781 1.00 0.00 H new ATOM 0 HG2 LYS A 122 7.542 1.946 -9.300 1.00 0.00 H new ATOM 0 HG3 LYS A 122 6.719 0.845 -10.387 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.462 2.853 -11.989 1.00 0.00 H new ATOM 0 HD3 LYS A 122 7.595 3.697 -10.952 1.00 0.00 H new ATOM 0 HE2 LYS A 122 8.835 1.225 -11.372 1.00 0.00 H new ATOM 0 HE3 LYS A 122 8.085 1.564 -12.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 10.309 2.481 -12.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 9.172 3.735 -12.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 9.898 3.406 -11.440 1.00 0.00 H new ATOM 365 N PRO A 123 3.042 3.130 -7.788 1.00 0.00 N ATOM 366 CA PRO A 123 1.600 3.157 -7.527 1.00 0.00 C ATOM 367 C PRO A 123 0.792 2.556 -8.672 1.00 0.00 C ATOM 368 O PRO A 123 -0.280 1.992 -8.457 1.00 0.00 O ATOM 369 CB PRO A 123 1.294 4.650 -7.383 1.00 0.00 C ATOM 370 CG PRO A 123 2.364 5.333 -8.162 1.00 0.00 C ATOM 371 CD PRO A 123 3.591 4.476 -8.020 1.00 0.00 C ATOM 0 HA PRO A 123 1.333 2.566 -6.651 1.00 0.00 H new ATOM 0 HB2 PRO A 123 0.305 4.891 -7.773 1.00 0.00 H new ATOM 0 HB3 PRO A 123 1.308 4.958 -6.337 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.079 5.436 -9.209 1.00 0.00 H new ATOM 0 HG3 PRO A 123 2.544 6.338 -7.780 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.210 4.508 -8.917 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.216 4.804 -7.189 1.00 0.00 H new ATOM 379 N GLU A 124 1.315 2.681 -9.888 1.00 0.00 N ATOM 380 CA GLU A 124 0.640 2.149 -11.067 1.00 0.00 C ATOM 381 C GLU A 124 0.760 0.629 -11.123 1.00 0.00 C ATOM 382 O GLU A 124 -0.099 -0.052 -11.682 1.00 0.00 O ATOM 383 CB GLU A 124 1.227 2.765 -12.338 1.00 0.00 C ATOM 384 CG GLU A 124 2.578 2.189 -12.727 1.00 0.00 C ATOM 385 CD GLU A 124 3.435 3.176 -13.496 1.00 0.00 C ATOM 386 OE1 GLU A 124 2.882 4.181 -13.989 1.00 0.00 O ATOM 387 OE2 GLU A 124 4.656 2.943 -13.605 1.00 0.00 O ATOM 0 H GLU A 124 2.202 3.145 -10.083 1.00 0.00 H new ATOM 0 HA GLU A 124 -0.416 2.410 -10.999 1.00 0.00 H new ATOM 0 HB2 GLU A 124 0.528 2.615 -13.160 1.00 0.00 H new ATOM 0 HB3 GLU A 124 1.328 3.841 -12.197 1.00 0.00 H new ATOM 0 HG2 GLU A 124 3.108 1.877 -11.827 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.427 1.296 -13.333 1.00 0.00 H new ATOM 394 N ASP A 125 1.832 0.104 -10.539 1.00 0.00 N ATOM 395 CA ASP A 125 2.065 -1.335 -10.521 1.00 0.00 C ATOM 396 C ASP A 125 1.251 -2.004 -9.418 1.00 0.00 C ATOM 397 O ASP A 125 0.907 -1.375 -8.417 1.00 0.00 O ATOM 398 CB ASP A 125 3.553 -1.630 -10.325 1.00 0.00 C ATOM 399 CG ASP A 125 4.302 -1.728 -11.639 1.00 0.00 C ATOM 400 OD1 ASP A 125 3.874 -1.078 -12.616 1.00 0.00 O ATOM 401 OD2 ASP A 125 5.317 -2.454 -11.691 1.00 0.00 O ATOM 0 H ASP A 125 2.553 0.654 -10.072 1.00 0.00 H new ATOM 0 HA ASP A 125 1.745 -1.742 -11.480 1.00 0.00 H new ATOM 0 HB2 ASP A 125 3.999 -0.845 -9.714 1.00 0.00 H new ATOM 0 HB3 ASP A 125 3.666 -2.564 -9.775 1.00 0.00 H new ATOM 406 N THR A 126 0.945 -3.284 -9.608 1.00 0.00 N ATOM 407 CA THR A 126 0.170 -4.038 -8.631 1.00 0.00 C ATOM 408 C THR A 126 0.614 -5.495 -8.582 1.00 0.00 C ATOM 409 O THR A 126 -0.087 -6.350 -8.043 1.00 0.00 O ATOM 410 CB THR A 126 -1.337 -3.982 -8.945 1.00 0.00 C ATOM 411 OG1 THR A 126 -1.632 -4.809 -10.077 1.00 0.00 O ATOM 412 CG2 THR A 126 -1.779 -2.554 -9.225 1.00 0.00 C ATOM 0 H THR A 126 1.223 -3.820 -10.430 1.00 0.00 H new ATOM 0 HA THR A 126 0.349 -3.574 -7.661 1.00 0.00 H new ATOM 0 HB THR A 126 -1.881 -4.349 -8.075 1.00 0.00 H new ATOM 0 HG1 THR A 126 -2.592 -4.770 -10.270 1.00 0.00 H new ATOM 0 HG21 THR A 126 -2.847 -2.540 -9.444 1.00 0.00 H new ATOM 0 HG22 THR A 126 -1.580 -1.933 -8.351 1.00 0.00 H new ATOM 0 HG23 THR A 126 -1.228 -2.164 -10.081 1.00 0.00 H new ATOM 420 N ALA A 127 1.784 -5.771 -9.149 1.00 0.00 N ATOM 421 CA ALA A 127 2.323 -7.125 -9.168 1.00 0.00 C ATOM 422 C ALA A 127 3.848 -7.110 -9.176 1.00 0.00 C ATOM 423 O ALA A 127 4.467 -6.132 -9.598 1.00 0.00 O ATOM 424 CB ALA A 127 1.795 -7.887 -10.375 1.00 0.00 C ATOM 0 H ALA A 127 2.377 -5.075 -9.601 1.00 0.00 H new ATOM 0 HA ALA A 127 1.996 -7.632 -8.260 1.00 0.00 H new ATOM 0 HB1 ALA A 127 2.206 -8.897 -10.376 1.00 0.00 H new ATOM 0 HB2 ALA A 127 0.707 -7.938 -10.326 1.00 0.00 H new ATOM 0 HB3 ALA A 127 2.093 -7.373 -11.289 1.00 0.00 H new ATOM 430 N CYS A 128 4.449 -8.197 -8.706 1.00 0.00 N ATOM 431 CA CYS A 128 5.902 -8.309 -8.657 1.00 0.00 C ATOM 432 C CYS A 128 6.410 -9.272 -9.726 1.00 0.00 C ATOM 433 O CYS A 128 5.679 -10.153 -10.179 1.00 0.00 O ATOM 434 CB CYS A 128 6.352 -8.781 -7.273 1.00 0.00 C ATOM 435 SG CYS A 128 5.768 -7.732 -5.903 1.00 0.00 S ATOM 0 H CYS A 128 3.952 -9.015 -8.353 1.00 0.00 H new ATOM 0 HA CYS A 128 6.324 -7.323 -8.852 1.00 0.00 H new ATOM 0 HB2 CYS A 128 5.996 -9.799 -7.114 1.00 0.00 H new ATOM 0 HB3 CYS A 128 7.441 -8.817 -7.250 1.00 0.00 H new ATOM 440 N MET A 129 7.666 -9.098 -10.122 1.00 0.00 N ATOM 441 CA MET A 129 8.272 -9.953 -11.137 1.00 0.00 C ATOM 442 C MET A 129 9.628 -10.473 -10.670 1.00 0.00 C ATOM 443 O MET A 129 10.398 -9.749 -10.037 1.00 0.00 O ATOM 444 CB MET A 129 8.432 -9.187 -12.451 1.00 0.00 C ATOM 445 CG MET A 129 8.100 -10.016 -13.682 1.00 0.00 C ATOM 446 SD MET A 129 8.551 -9.188 -15.219 1.00 0.00 S ATOM 447 CE MET A 129 7.150 -9.609 -16.253 1.00 0.00 C ATOM 0 H MET A 129 8.284 -8.374 -9.756 1.00 0.00 H new ATOM 0 HA MET A 129 7.612 -10.805 -11.300 1.00 0.00 H new ATOM 0 HB2 MET A 129 7.788 -8.308 -12.430 1.00 0.00 H new ATOM 0 HB3 MET A 129 9.458 -8.828 -12.530 1.00 0.00 H new ATOM 0 HG2 MET A 129 8.620 -10.972 -13.623 1.00 0.00 H new ATOM 0 HG3 MET A 129 7.032 -10.234 -13.691 1.00 0.00 H new ATOM 0 HE1 MET A 129 7.360 -9.323 -17.284 1.00 0.00 H new ATOM 0 HE2 MET A 129 6.971 -10.683 -16.203 1.00 0.00 H new ATOM 0 HE3 MET A 129 6.266 -9.077 -15.902 1.00 0.00 H new ATOM 457 N THR A 130 9.915 -11.732 -10.985 1.00 0.00 N ATOM 458 CA THR A 130 11.177 -12.349 -10.597 1.00 0.00 C ATOM 459 C THR A 130 11.817 -13.079 -11.772 1.00 0.00 C ATOM 460 O THR A 130 11.243 -14.023 -12.317 1.00 0.00 O ATOM 461 CB THR A 130 10.983 -13.341 -9.434 1.00 0.00 C ATOM 462 OG1 THR A 130 9.953 -12.873 -8.557 1.00 0.00 O ATOM 463 CG2 THR A 130 12.277 -13.521 -8.655 1.00 0.00 C ATOM 0 H THR A 130 9.290 -12.345 -11.508 1.00 0.00 H new ATOM 0 HA THR A 130 11.836 -11.544 -10.272 1.00 0.00 H new ATOM 0 HB THR A 130 10.692 -14.305 -9.852 1.00 0.00 H new ATOM 0 HG1 THR A 130 9.078 -13.146 -8.905 1.00 0.00 H new ATOM 0 HG21 THR A 130 12.116 -14.226 -7.839 1.00 0.00 H new ATOM 0 HG22 THR A 130 13.051 -13.906 -9.319 1.00 0.00 H new ATOM 0 HG23 THR A 130 12.593 -12.561 -8.248 1.00 0.00 H new ATOM 471 N THR A 131 13.010 -12.638 -12.158 1.00 0.00 N ATOM 472 CA THR A 131 13.727 -13.250 -13.270 1.00 0.00 C ATOM 473 C THR A 131 14.783 -14.229 -12.770 1.00 0.00 C ATOM 474 O THR A 131 15.678 -13.859 -12.008 1.00 0.00 O ATOM 475 CB THR A 131 14.407 -12.186 -14.152 1.00 0.00 C ATOM 476 OG1 THR A 131 13.504 -11.103 -14.398 1.00 0.00 O ATOM 477 CG2 THR A 131 14.857 -12.788 -15.475 1.00 0.00 C ATOM 0 H THR A 131 13.500 -11.860 -11.717 1.00 0.00 H new ATOM 0 HA THR A 131 12.989 -13.788 -13.865 1.00 0.00 H new ATOM 0 HB THR A 131 15.284 -11.814 -13.623 1.00 0.00 H new ATOM 0 HG1 THR A 131 13.945 -10.430 -14.958 1.00 0.00 H new ATOM 0 HG21 THR A 131 15.334 -12.018 -16.081 1.00 0.00 H new ATOM 0 HG22 THR A 131 15.567 -13.593 -15.286 1.00 0.00 H new ATOM 0 HG23 THR A 131 13.992 -13.185 -16.007 1.00 0.00 H new ATOM 747 N ARG A 149 14.850 -9.512 -9.371 1.00 0.00 N ATOM 748 CA ARG A 149 13.440 -9.258 -9.103 1.00 0.00 C ATOM 749 C ARG A 149 13.100 -7.788 -9.329 1.00 0.00 C ATOM 750 O ARG A 149 13.818 -6.897 -8.874 1.00 0.00 O ATOM 751 CB ARG A 149 13.091 -9.659 -7.669 1.00 0.00 C ATOM 752 CG ARG A 149 11.665 -10.160 -7.506 1.00 0.00 C ATOM 753 CD ARG A 149 11.443 -10.773 -6.132 1.00 0.00 C ATOM 754 NE ARG A 149 10.324 -10.151 -5.430 1.00 0.00 N ATOM 755 CZ ARG A 149 9.054 -10.484 -5.632 1.00 0.00 C ATOM 756 NH1 ARG A 149 8.743 -11.427 -6.510 1.00 0.00 N ATOM 757 NH2 ARG A 149 8.091 -9.872 -4.953 1.00 0.00 N ATOM 0 HA ARG A 149 12.850 -9.860 -9.795 1.00 0.00 H new ATOM 0 HB2 ARG A 149 13.780 -10.437 -7.340 1.00 0.00 H new ATOM 0 HB3 ARG A 149 13.243 -8.801 -7.014 1.00 0.00 H new ATOM 0 HG2 ARG A 149 10.969 -9.334 -7.654 1.00 0.00 H new ATOM 0 HG3 ARG A 149 11.448 -10.901 -8.275 1.00 0.00 H new ATOM 0 HD2 ARG A 149 11.256 -11.842 -6.238 1.00 0.00 H new ATOM 0 HD3 ARG A 149 12.349 -10.666 -5.536 1.00 0.00 H new ATOM 0 HE ARG A 149 10.529 -9.421 -4.747 1.00 0.00 H new ATOM 0 HH11 ARG A 149 9.480 -11.900 -7.033 1.00 0.00 H new ATOM 0 HH12 ARG A 149 7.767 -11.680 -6.662 1.00 0.00 H new ATOM 0 HH21 ARG A 149 8.326 -9.146 -4.276 1.00 0.00 H new ATOM 0 HH22 ARG A 149 7.116 -10.128 -5.108 1.00 0.00 H new ATOM 771 N SER A 150 12.001 -7.542 -10.035 1.00 0.00 N ATOM 772 CA SER A 150 11.568 -6.180 -10.326 1.00 0.00 C ATOM 773 C SER A 150 10.045 -6.084 -10.336 1.00 0.00 C ATOM 774 O SER A 150 9.352 -7.067 -10.600 1.00 0.00 O ATOM 775 CB SER A 150 12.128 -5.720 -11.673 1.00 0.00 C ATOM 776 OG SER A 150 11.808 -6.642 -12.700 1.00 0.00 O ATOM 0 H SER A 150 11.394 -8.268 -10.416 1.00 0.00 H new ATOM 0 HA SER A 150 11.951 -5.529 -9.540 1.00 0.00 H new ATOM 0 HB2 SER A 150 11.724 -4.739 -11.922 1.00 0.00 H new ATOM 0 HB3 SER A 150 13.210 -5.611 -11.602 1.00 0.00 H new ATOM 0 HG SER A 150 12.176 -6.324 -13.551 1.00 0.00 H new ATOM 782 N CYS A 151 9.532 -4.894 -10.047 1.00 0.00 N ATOM 783 CA CYS A 151 8.092 -4.667 -10.022 1.00 0.00 C ATOM 784 C CYS A 151 7.505 -4.739 -11.429 1.00 0.00 C ATOM 785 O CYS A 151 8.207 -4.523 -12.417 1.00 0.00 O ATOM 786 CB CYS A 151 7.779 -3.307 -9.396 1.00 0.00 C ATOM 787 SG CYS A 151 8.661 -2.986 -7.834 1.00 0.00 S ATOM 0 H CYS A 151 10.092 -4.071 -9.827 1.00 0.00 H new ATOM 0 HA CYS A 151 7.637 -5.451 -9.417 1.00 0.00 H new ATOM 0 HB2 CYS A 151 8.031 -2.524 -10.111 1.00 0.00 H new ATOM 0 HB3 CYS A 151 6.706 -3.241 -9.215 1.00 0.00 H new ATOM 792 N SER A 152 6.214 -5.044 -11.511 1.00 0.00 N ATOM 793 CA SER A 152 5.533 -5.147 -12.796 1.00 0.00 C ATOM 794 C SER A 152 4.060 -4.773 -12.663 1.00 0.00 C ATOM 795 O SER A 152 3.499 -4.795 -11.567 1.00 0.00 O ATOM 796 CB SER A 152 5.662 -6.567 -13.352 1.00 0.00 C ATOM 797 OG SER A 152 5.017 -6.683 -14.609 1.00 0.00 O ATOM 0 H SER A 152 5.619 -5.224 -10.703 1.00 0.00 H new ATOM 0 HA SER A 152 6.006 -4.449 -13.487 1.00 0.00 H new ATOM 0 HB2 SER A 152 6.716 -6.826 -13.455 1.00 0.00 H new ATOM 0 HB3 SER A 152 5.226 -7.277 -12.649 1.00 0.00 H new ATOM 0 HG SER A 152 4.975 -7.627 -14.869 1.00 0.00 H new ATOM 803 N SER A 153 3.439 -4.428 -13.786 1.00 0.00 N ATOM 804 CA SER A 153 2.033 -4.045 -13.796 1.00 0.00 C ATOM 805 C SER A 153 1.196 -5.068 -14.557 1.00 0.00 C ATOM 806 O SER A 153 0.033 -4.821 -14.877 1.00 0.00 O ATOM 807 CB SER A 153 1.864 -2.661 -14.426 1.00 0.00 C ATOM 808 OG SER A 153 2.797 -2.460 -15.473 1.00 0.00 O ATOM 0 H SER A 153 3.888 -4.406 -14.701 1.00 0.00 H new ATOM 0 HA SER A 153 1.684 -4.012 -12.764 1.00 0.00 H new ATOM 0 HB2 SER A 153 0.850 -2.555 -14.813 1.00 0.00 H new ATOM 0 HB3 SER A 153 1.996 -1.893 -13.664 1.00 0.00 H new ATOM 0 HG SER A 153 2.667 -1.569 -15.860 1.00 0.00 H new ATOM 814 N SER A 154 1.796 -6.219 -14.843 1.00 0.00 N ATOM 815 CA SER A 154 1.109 -7.280 -15.570 1.00 0.00 C ATOM 816 C SER A 154 1.807 -8.621 -15.363 1.00 0.00 C ATOM 817 O SER A 154 2.668 -9.014 -16.150 1.00 0.00 O ATOM 818 CB SER A 154 1.049 -6.949 -17.062 1.00 0.00 C ATOM 819 OG SER A 154 2.215 -6.261 -17.479 1.00 0.00 O ATOM 0 H SER A 154 2.757 -6.441 -14.582 1.00 0.00 H new ATOM 0 HA SER A 154 0.094 -7.354 -15.180 1.00 0.00 H new ATOM 0 HB2 SER A 154 0.940 -7.868 -17.638 1.00 0.00 H new ATOM 0 HB3 SER A 154 0.170 -6.338 -17.267 1.00 0.00 H new ATOM 0 HG SER A 154 2.153 -6.062 -18.437 1.00 0.00 H new ATOM 825 N CYS A 155 1.428 -9.319 -14.298 1.00 0.00 N ATOM 826 CA CYS A 155 2.016 -10.616 -13.984 1.00 0.00 C ATOM 827 C CYS A 155 1.594 -11.666 -15.008 1.00 0.00 C ATOM 828 O CYS A 155 0.457 -12.138 -14.996 1.00 0.00 O ATOM 829 CB CYS A 155 1.603 -11.061 -12.580 1.00 0.00 C ATOM 830 SG CYS A 155 1.833 -12.840 -12.266 1.00 0.00 S ATOM 0 H CYS A 155 0.716 -9.008 -13.637 1.00 0.00 H new ATOM 0 HA CYS A 155 3.101 -10.514 -14.020 1.00 0.00 H new ATOM 0 HB2 CYS A 155 2.179 -10.496 -11.847 1.00 0.00 H new ATOM 0 HB3 CYS A 155 0.554 -10.808 -12.424 1.00 0.00 H new ATOM 1006 N ILE A 169 10.099 -16.704 -15.217 1.00 0.00 N ATOM 1007 CA ILE A 169 9.486 -15.467 -14.751 1.00 0.00 C ATOM 1008 C ILE A 169 8.440 -15.743 -13.676 1.00 0.00 C ATOM 1009 O ILE A 169 7.315 -16.142 -13.976 1.00 0.00 O ATOM 1010 CB ILE A 169 8.824 -14.696 -15.908 1.00 0.00 C ATOM 1011 CG1 ILE A 169 9.869 -14.317 -16.961 1.00 0.00 C ATOM 1012 CG2 ILE A 169 8.120 -13.454 -15.383 1.00 0.00 C ATOM 1013 CD1 ILE A 169 9.738 -15.098 -18.250 1.00 0.00 C ATOM 0 HA ILE A 169 10.286 -14.858 -14.330 1.00 0.00 H new ATOM 0 HB ILE A 169 8.080 -15.341 -16.376 1.00 0.00 H new ATOM 0 HG12 ILE A 169 9.783 -13.253 -17.180 1.00 0.00 H new ATOM 0 HG13 ILE A 169 10.865 -14.478 -16.548 1.00 0.00 H new ATOM 0 HG21 ILE A 169 7.657 -12.920 -16.213 1.00 0.00 H new ATOM 0 HG22 ILE A 169 7.352 -13.746 -14.666 1.00 0.00 H new ATOM 0 HG23 ILE A 169 8.845 -12.804 -14.893 1.00 0.00 H new ATOM 0 HD11 ILE A 169 10.510 -14.778 -18.950 1.00 0.00 H new ATOM 0 HD12 ILE A 169 9.854 -16.162 -18.044 1.00 0.00 H new ATOM 0 HD13 ILE A 169 8.756 -14.918 -18.686 1.00 0.00 H new ATOM 1025 N PHE A 170 8.819 -15.526 -12.420 1.00 0.00 N ATOM 1026 CA PHE A 170 7.914 -15.750 -11.299 1.00 0.00 C ATOM 1027 C PHE A 170 7.315 -14.434 -10.812 1.00 0.00 C ATOM 1028 O PHE A 170 8.021 -13.576 -10.281 1.00 0.00 O ATOM 1029 CB PHE A 170 8.651 -16.444 -10.152 1.00 0.00 C ATOM 1030 CG PHE A 170 8.596 -17.943 -10.224 1.00 0.00 C ATOM 1031 CD1 PHE A 170 9.436 -18.640 -11.078 1.00 0.00 C ATOM 1032 CD2 PHE A 170 7.707 -18.656 -9.436 1.00 0.00 C ATOM 1033 CE1 PHE A 170 9.387 -20.019 -11.147 1.00 0.00 C ATOM 1034 CE2 PHE A 170 7.653 -20.035 -9.500 1.00 0.00 C ATOM 1035 CZ PHE A 170 8.495 -20.718 -10.356 1.00 0.00 C ATOM 0 H PHE A 170 9.746 -15.195 -12.154 1.00 0.00 H new ATOM 0 HA PHE A 170 7.103 -16.393 -11.642 1.00 0.00 H new ATOM 0 HB2 PHE A 170 9.694 -16.126 -10.156 1.00 0.00 H new ATOM 0 HB3 PHE A 170 8.222 -16.118 -9.205 1.00 0.00 H new ATOM 0 HD1 PHE A 170 10.137 -18.099 -11.697 1.00 0.00 H new ATOM 0 HD2 PHE A 170 7.048 -18.127 -8.763 1.00 0.00 H new ATOM 0 HE1 PHE A 170 10.045 -20.550 -11.819 1.00 0.00 H new ATOM 0 HE2 PHE A 170 6.954 -20.578 -8.882 1.00 0.00 H new ATOM 0 HZ PHE A 170 8.456 -21.796 -10.407 1.00 0.00 H new ATOM 1045 N CYS A 171 6.008 -14.281 -10.998 1.00 0.00 N ATOM 1046 CA CYS A 171 5.313 -13.070 -10.579 1.00 0.00 C ATOM 1047 C CYS A 171 4.200 -13.397 -9.587 1.00 0.00 C ATOM 1048 O CYS A 171 3.753 -14.541 -9.493 1.00 0.00 O ATOM 1049 CB CYS A 171 4.731 -12.345 -11.794 1.00 0.00 C ATOM 1050 SG CYS A 171 3.656 -13.383 -12.835 1.00 0.00 S ATOM 0 H CYS A 171 5.409 -14.981 -11.436 1.00 0.00 H new ATOM 0 HA CYS A 171 6.035 -12.419 -10.087 1.00 0.00 H new ATOM 0 HB2 CYS A 171 4.162 -11.482 -11.450 1.00 0.00 H new ATOM 0 HB3 CYS A 171 5.551 -11.964 -12.403 1.00 0.00 H new ATOM 1055 N CYS A 172 3.756 -12.385 -8.849 1.00 0.00 N ATOM 1056 CA CYS A 172 2.696 -12.563 -7.864 1.00 0.00 C ATOM 1057 C CYS A 172 1.894 -11.277 -7.690 1.00 0.00 C ATOM 1058 O CYS A 172 2.118 -10.292 -8.394 1.00 0.00 O ATOM 1059 CB CYS A 172 3.287 -12.994 -6.521 1.00 0.00 C ATOM 1060 SG CYS A 172 4.780 -12.071 -6.034 1.00 0.00 S ATOM 0 H CYS A 172 4.114 -11.432 -8.915 1.00 0.00 H new ATOM 0 HA CYS A 172 2.025 -13.343 -8.225 1.00 0.00 H new ATOM 0 HB2 CYS A 172 2.529 -12.872 -5.747 1.00 0.00 H new ATOM 0 HB3 CYS A 172 3.528 -14.056 -6.567 1.00 0.00 H new ATOM 1065 N PHE A 173 0.957 -11.294 -6.748 1.00 0.00 N ATOM 1066 CA PHE A 173 0.120 -10.130 -6.481 1.00 0.00 C ATOM 1067 C PHE A 173 0.047 -9.844 -4.984 1.00 0.00 C ATOM 1068 O PHE A 173 -0.980 -9.393 -4.477 1.00 0.00 O ATOM 1069 CB PHE A 173 -1.288 -10.348 -7.039 1.00 0.00 C ATOM 1070 CG PHE A 173 -1.376 -10.173 -8.528 1.00 0.00 C ATOM 1071 CD1 PHE A 173 -1.531 -8.913 -9.082 1.00 0.00 C ATOM 1072 CD2 PHE A 173 -1.304 -11.268 -9.374 1.00 0.00 C ATOM 1073 CE1 PHE A 173 -1.614 -8.749 -10.452 1.00 0.00 C ATOM 1074 CE2 PHE A 173 -1.385 -11.110 -10.744 1.00 0.00 C ATOM 1075 CZ PHE A 173 -1.540 -9.849 -11.284 1.00 0.00 C ATOM 0 H PHE A 173 0.758 -12.101 -6.157 1.00 0.00 H new ATOM 0 HA PHE A 173 0.570 -9.270 -6.976 1.00 0.00 H new ATOM 0 HB2 PHE A 173 -1.622 -11.352 -6.779 1.00 0.00 H new ATOM 0 HB3 PHE A 173 -1.973 -9.650 -6.558 1.00 0.00 H new ATOM 0 HD1 PHE A 173 -1.588 -8.049 -8.436 1.00 0.00 H new ATOM 0 HD2 PHE A 173 -1.183 -12.257 -8.957 1.00 0.00 H new ATOM 0 HE1 PHE A 173 -1.737 -7.761 -10.872 1.00 0.00 H new ATOM 0 HE2 PHE A 173 -1.327 -11.972 -11.392 1.00 0.00 H new ATOM 0 HZ PHE A 173 -1.603 -9.723 -12.355 1.00 0.00 H new ATOM 1085 N ARG A 174 1.145 -10.109 -4.283 1.00 0.00 N ATOM 1086 CA ARG A 174 1.205 -9.882 -2.844 1.00 0.00 C ATOM 1087 C ARG A 174 2.573 -9.341 -2.436 1.00 0.00 C ATOM 1088 O ARG A 174 3.603 -9.785 -2.942 1.00 0.00 O ATOM 1089 CB ARG A 174 0.913 -11.180 -2.089 1.00 0.00 C ATOM 1090 CG ARG A 174 -0.543 -11.611 -2.161 1.00 0.00 C ATOM 1091 CD ARG A 174 -0.747 -12.715 -3.187 1.00 0.00 C ATOM 1092 NE ARG A 174 -0.840 -14.032 -2.564 1.00 0.00 N ATOM 1093 CZ ARG A 174 -0.833 -15.171 -3.247 1.00 0.00 C ATOM 1094 NH1 ARG A 174 -0.737 -15.154 -4.570 1.00 0.00 N ATOM 1095 NH2 ARG A 174 -0.921 -16.331 -2.608 1.00 0.00 N ATOM 0 H ARG A 174 2.004 -10.481 -4.688 1.00 0.00 H new ATOM 0 HA ARG A 174 0.448 -9.141 -2.586 1.00 0.00 H new ATOM 0 HB2 ARG A 174 1.539 -11.975 -2.494 1.00 0.00 H new ATOM 0 HB3 ARG A 174 1.195 -11.054 -1.044 1.00 0.00 H new ATOM 0 HG2 ARG A 174 -0.870 -11.959 -1.181 1.00 0.00 H new ATOM 0 HG3 ARG A 174 -1.165 -10.754 -2.419 1.00 0.00 H new ATOM 0 HD2 ARG A 174 -1.656 -12.518 -3.755 1.00 0.00 H new ATOM 0 HD3 ARG A 174 0.080 -12.708 -3.897 1.00 0.00 H new ATOM 0 HE ARG A 174 -0.914 -14.080 -1.548 1.00 0.00 H new ATOM 0 HH11 ARG A 174 -0.668 -14.265 -5.065 1.00 0.00 H new ATOM 0 HH12 ARG A 174 -0.732 -16.030 -5.092 1.00 0.00 H new ATOM 0 HH21 ARG A 174 -0.994 -16.349 -1.591 1.00 0.00 H new ATOM 0 HH22 ARG A 174 -0.915 -17.205 -3.134 1.00 0.00 H new ATOM 1109 N ASP A 175 2.573 -8.380 -1.519 1.00 0.00 N ATOM 1110 CA ASP A 175 3.813 -7.778 -1.043 1.00 0.00 C ATOM 1111 C ASP A 175 4.738 -8.837 -0.451 1.00 0.00 C ATOM 1112 O ASP A 175 4.362 -9.560 0.472 1.00 0.00 O ATOM 1113 CB ASP A 175 3.514 -6.702 0.002 1.00 0.00 C ATOM 1114 CG ASP A 175 2.555 -5.647 -0.512 1.00 0.00 C ATOM 1115 OD1 ASP A 175 1.406 -6.003 -0.846 1.00 0.00 O ATOM 1116 OD2 ASP A 175 2.953 -4.465 -0.580 1.00 0.00 O ATOM 0 H ASP A 175 1.728 -8.001 -1.090 1.00 0.00 H new ATOM 0 HA ASP A 175 4.315 -7.317 -1.894 1.00 0.00 H new ATOM 0 HB2 ASP A 175 3.092 -7.170 0.891 1.00 0.00 H new ATOM 0 HB3 ASP A 175 4.446 -6.225 0.305 1.00 0.00 H new ATOM 1121 N LEU A 176 5.950 -8.923 -0.988 1.00 0.00 N ATOM 1122 CA LEU A 176 6.930 -9.894 -0.514 1.00 0.00 C ATOM 1123 C LEU A 176 6.371 -11.312 -0.586 1.00 0.00 C ATOM 1124 O LEU A 176 6.632 -12.139 0.288 1.00 0.00 O ATOM 1125 CB LEU A 176 7.345 -9.570 0.922 1.00 0.00 C ATOM 1126 CG LEU A 176 7.685 -8.107 1.209 1.00 0.00 C ATOM 1127 CD1 LEU A 176 8.282 -7.960 2.599 1.00 0.00 C ATOM 1128 CD2 LEU A 176 8.641 -7.566 0.156 1.00 0.00 C ATOM 0 H LEU A 176 6.278 -8.332 -1.752 1.00 0.00 H new ATOM 0 HA LEU A 176 7.805 -9.835 -1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 176 6.538 -9.872 1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 176 8.212 -10.180 1.175 1.00 0.00 H new ATOM 0 HG LEU A 176 6.764 -7.525 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 176 8.517 -6.912 2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 176 7.564 -8.308 3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 176 9.193 -8.554 2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 176 8.872 -6.524 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 176 9.560 -8.151 0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.176 -7.635 -0.827 1.00 0.00 H new ATOM 1140 N CYS A 177 5.602 -11.586 -1.635 1.00 0.00 N ATOM 1141 CA CYS A 177 5.007 -12.904 -1.824 1.00 0.00 C ATOM 1142 C CYS A 177 6.064 -13.999 -1.708 1.00 0.00 C ATOM 1143 O CYS A 177 5.752 -15.144 -1.383 1.00 0.00 O ATOM 1144 CB CYS A 177 4.320 -12.985 -3.188 1.00 0.00 C ATOM 1145 SG CYS A 177 5.445 -13.375 -4.566 1.00 0.00 S ATOM 0 H CYS A 177 5.376 -10.913 -2.367 1.00 0.00 H new ATOM 0 HA CYS A 177 4.264 -13.056 -1.041 1.00 0.00 H new ATOM 0 HB2 CYS A 177 3.539 -13.744 -3.145 1.00 0.00 H new ATOM 0 HB3 CYS A 177 3.829 -12.034 -3.392 1.00 0.00 H new