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 105 THR OG1 : rot 180:sc= -0.37 USER MOD Set 1.2: A 119 THR OG1 : rot 145:sc= 1.08 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= -0.0145 USER MOD Single : A 106 CYS SG : rot 180:sc= 0.112 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 129 MET CE :methyl -123:sc= 0 (180deg=-1.64!) USER MOD Single : A 130 THR OG1 : rot 160:sc= -1.28 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 SER OG : rot 180:sc= -0.0026 USER MOD Single : A 152 SER OG : rot 180:sc=-0.00745 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 101 2.846 -2.132 -2.425 1.00 0.00 N ATOM 19 CA LEU A 101 3.443 -3.389 -2.863 1.00 0.00 C ATOM 20 C LEU A 101 4.951 -3.384 -2.638 1.00 0.00 C ATOM 21 O LEU A 101 5.663 -2.517 -3.145 1.00 0.00 O ATOM 22 CB LEU A 101 3.138 -3.633 -4.342 1.00 0.00 C ATOM 23 CG LEU A 101 2.991 -5.095 -4.765 1.00 0.00 C ATOM 24 CD1 LEU A 101 3.358 -5.266 -6.231 1.00 0.00 C ATOM 25 CD2 LEU A 101 3.854 -5.993 -3.890 1.00 0.00 C ATOM 0 HA LEU A 101 3.009 -4.194 -2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.216 -3.108 -4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.933 -3.182 -4.935 1.00 0.00 H new ATOM 0 HG LEU A 101 1.949 -5.387 -4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.247 -6.313 -6.514 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.699 -4.652 -6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.391 -4.955 -6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.737 -7.030 -4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.899 -5.700 -3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.545 -5.893 -2.850 1.00 0.00 H new ATOM 37 N LYS A 102 5.434 -4.359 -1.874 1.00 0.00 N ATOM 38 CA LYS A 102 6.858 -4.470 -1.583 1.00 0.00 C ATOM 39 C LYS A 102 7.417 -5.792 -2.099 1.00 0.00 C ATOM 40 O LYS A 102 6.938 -6.865 -1.733 1.00 0.00 O ATOM 41 CB LYS A 102 7.103 -4.354 -0.077 1.00 0.00 C ATOM 42 CG LYS A 102 7.065 -2.925 0.437 1.00 0.00 C ATOM 43 CD LYS A 102 6.328 -2.828 1.762 1.00 0.00 C ATOM 44 CE LYS A 102 6.996 -1.836 2.701 1.00 0.00 C ATOM 45 NZ LYS A 102 6.018 -0.873 3.279 1.00 0.00 N ATOM 0 H LYS A 102 4.859 -5.084 -1.445 1.00 0.00 H new ATOM 0 HA LYS A 102 7.372 -3.655 -2.092 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.352 -4.941 0.451 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.073 -4.791 0.160 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.083 -2.554 0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.578 -2.286 -0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.296 -2.524 1.584 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.294 -3.810 2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.493 -2.377 3.507 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.769 -1.289 2.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.513 -0.214 3.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.562 -0.339 2.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.295 -1.393 3.816 1.00 0.00 H new ATOM 59 N CYS A 103 8.434 -5.707 -2.951 1.00 0.00 N ATOM 60 CA CYS A 103 9.060 -6.896 -3.517 1.00 0.00 C ATOM 61 C CYS A 103 10.533 -6.972 -3.128 1.00 0.00 C ATOM 62 O CYS A 103 11.181 -5.950 -2.904 1.00 0.00 O ATOM 63 CB CYS A 103 8.922 -6.894 -5.040 1.00 0.00 C ATOM 64 SG CYS A 103 7.224 -6.604 -5.634 1.00 0.00 S ATOM 0 H CYS A 103 8.842 -4.826 -3.264 1.00 0.00 H new ATOM 0 HA CYS A 103 8.551 -7.772 -3.114 1.00 0.00 H new ATOM 0 HB2 CYS A 103 9.576 -6.125 -5.452 1.00 0.00 H new ATOM 0 HB3 CYS A 103 9.272 -7.851 -5.427 1.00 0.00 H new ATOM 69 N TYR A 104 11.056 -8.191 -3.050 1.00 0.00 N ATOM 70 CA TYR A 104 12.452 -8.402 -2.687 1.00 0.00 C ATOM 71 C TYR A 104 13.375 -8.079 -3.858 1.00 0.00 C ATOM 72 O TYR A 104 13.885 -8.978 -4.528 1.00 0.00 O ATOM 73 CB TYR A 104 12.671 -9.846 -2.234 1.00 0.00 C ATOM 74 CG TYR A 104 12.423 -10.062 -0.758 1.00 0.00 C ATOM 75 CD1 TYR A 104 13.026 -9.248 0.194 1.00 0.00 C ATOM 76 CD2 TYR A 104 11.589 -11.081 -0.314 1.00 0.00 C ATOM 77 CE1 TYR A 104 12.803 -9.442 1.543 1.00 0.00 C ATOM 78 CE2 TYR A 104 11.359 -11.281 1.033 1.00 0.00 C ATOM 79 CZ TYR A 104 11.969 -10.459 1.958 1.00 0.00 C ATOM 80 OH TYR A 104 11.744 -10.656 3.301 1.00 0.00 O ATOM 0 H TYR A 104 10.534 -9.048 -3.233 1.00 0.00 H new ATOM 0 HA TYR A 104 12.691 -7.730 -1.863 1.00 0.00 H new ATOM 0 HB2 TYR A 104 12.012 -10.501 -2.804 1.00 0.00 H new ATOM 0 HB3 TYR A 104 13.694 -10.140 -2.469 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.680 -8.450 -0.127 1.00 0.00 H new ATOM 0 HD2 TYR A 104 11.112 -11.728 -1.035 1.00 0.00 H new ATOM 0 HE1 TYR A 104 13.279 -8.800 2.269 1.00 0.00 H new ATOM 0 HE2 TYR A 104 10.706 -12.076 1.360 1.00 0.00 H new ATOM 0 HH TYR A 104 11.132 -11.412 3.423 1.00 0.00 H new ATOM 90 N THR A 105 13.586 -6.789 -4.099 1.00 0.00 N ATOM 91 CA THR A 105 14.446 -6.346 -5.189 1.00 0.00 C ATOM 92 C THR A 105 15.735 -5.730 -4.656 1.00 0.00 C ATOM 93 O THR A 105 15.704 -4.784 -3.868 1.00 0.00 O ATOM 94 CB THR A 105 13.731 -5.317 -6.086 1.00 0.00 C ATOM 95 OG1 THR A 105 13.795 -4.018 -5.488 1.00 0.00 O ATOM 96 CG2 THR A 105 12.278 -5.709 -6.306 1.00 0.00 C ATOM 0 H THR A 105 13.173 -6.032 -3.554 1.00 0.00 H new ATOM 0 HA THR A 105 14.686 -7.229 -5.782 1.00 0.00 H new ATOM 0 HB THR A 105 14.236 -5.297 -7.052 1.00 0.00 H new ATOM 0 HG1 THR A 105 13.340 -3.370 -6.065 1.00 0.00 H new ATOM 0 HG21 THR A 105 11.794 -4.968 -6.942 1.00 0.00 H new ATOM 0 HG22 THR A 105 12.234 -6.686 -6.788 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.764 -5.755 -5.346 1.00 0.00 H new ATOM 104 N CYS A 106 16.868 -6.270 -5.092 1.00 0.00 N ATOM 105 CA CYS A 106 18.168 -5.774 -4.660 1.00 0.00 C ATOM 106 C CYS A 106 18.600 -4.576 -5.500 1.00 0.00 C ATOM 107 O CYS A 106 18.054 -4.328 -6.576 1.00 0.00 O ATOM 108 CB CYS A 106 19.218 -6.883 -4.756 1.00 0.00 C ATOM 109 SG CYS A 106 19.277 -7.713 -6.376 1.00 0.00 S ATOM 0 H CYS A 106 16.911 -7.052 -5.745 1.00 0.00 H new ATOM 0 HA CYS A 106 18.080 -5.455 -3.622 1.00 0.00 H new ATOM 0 HB2 CYS A 106 20.199 -6.459 -4.541 1.00 0.00 H new ATOM 0 HB3 CYS A 106 19.016 -7.627 -3.986 1.00 0.00 H new ATOM 0 HG CYS A 106 20.196 -8.632 -6.359 1.00 0.00 H new ATOM 276 N ILE A 118 13.893 -5.548 0.755 1.00 0.00 N ATOM 277 CA ILE A 118 12.534 -5.022 0.786 1.00 0.00 C ATOM 278 C ILE A 118 12.456 -3.662 0.102 1.00 0.00 C ATOM 279 O ILE A 118 12.763 -2.632 0.704 1.00 0.00 O ATOM 280 CB ILE A 118 12.015 -4.889 2.230 1.00 0.00 C ATOM 281 CG1 ILE A 118 12.075 -6.241 2.944 1.00 0.00 C ATOM 282 CG2 ILE A 118 10.594 -4.345 2.234 1.00 0.00 C ATOM 283 CD1 ILE A 118 11.617 -6.184 4.384 1.00 0.00 C ATOM 0 HA ILE A 118 11.907 -5.733 0.248 1.00 0.00 H new ATOM 0 HB ILE A 118 12.654 -4.187 2.766 1.00 0.00 H new ATOM 0 HG12 ILE A 118 11.456 -6.957 2.402 1.00 0.00 H new ATOM 0 HG13 ILE A 118 13.098 -6.615 2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.241 -4.257 3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.579 -3.364 1.759 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.943 -5.024 1.684 1.00 0.00 H new ATOM 0 HD11 ILE A 118 11.686 -7.177 4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 118 12.251 -5.493 4.940 1.00 0.00 H new ATOM 0 HD13 ILE A 118 10.583 -5.840 4.424 1.00 0.00 H new ATOM 295 N THR A 119 12.041 -3.664 -1.161 1.00 0.00 N ATOM 296 CA THR A 119 11.920 -2.430 -1.928 1.00 0.00 C ATOM 297 C THR A 119 10.458 -2.076 -2.174 1.00 0.00 C ATOM 298 O THR A 119 9.626 -2.955 -2.399 1.00 0.00 O ATOM 299 CB THR A 119 12.645 -2.538 -3.283 1.00 0.00 C ATOM 300 OG1 THR A 119 14.057 -2.657 -3.075 1.00 0.00 O ATOM 301 CG2 THR A 119 12.356 -1.322 -4.150 1.00 0.00 C ATOM 0 H THR A 119 11.783 -4.507 -1.675 1.00 0.00 H new ATOM 0 HA THR A 119 12.387 -1.643 -1.336 1.00 0.00 H new ATOM 0 HB THR A 119 12.278 -3.426 -3.797 1.00 0.00 H new ATOM 0 HG1 THR A 119 14.439 -3.251 -3.754 1.00 0.00 H new ATOM 0 HG21 THR A 119 12.879 -1.421 -5.101 1.00 0.00 H new ATOM 0 HG22 THR A 119 11.283 -1.251 -4.331 1.00 0.00 H new ATOM 0 HG23 THR A 119 12.699 -0.422 -3.640 1.00 0.00 H new ATOM 309 N ARG A 120 10.152 -0.784 -2.130 1.00 0.00 N ATOM 310 CA ARG A 120 8.789 -0.314 -2.348 1.00 0.00 C ATOM 311 C ARG A 120 8.537 -0.044 -3.829 1.00 0.00 C ATOM 312 O ARG A 120 9.200 0.795 -4.440 1.00 0.00 O ATOM 313 CB ARG A 120 8.529 0.957 -1.536 1.00 0.00 C ATOM 314 CG ARG A 120 9.300 1.011 -0.228 1.00 0.00 C ATOM 315 CD ARG A 120 8.542 1.793 0.834 1.00 0.00 C ATOM 316 NE ARG A 120 9.254 3.003 1.236 1.00 0.00 N ATOM 317 CZ ARG A 120 8.835 3.817 2.199 1.00 0.00 C ATOM 318 NH1 ARG A 120 7.713 3.551 2.854 1.00 0.00 N ATOM 319 NH2 ARG A 120 9.538 4.899 2.507 1.00 0.00 N ATOM 0 H ARG A 120 10.829 -0.044 -1.945 1.00 0.00 H new ATOM 0 HA ARG A 120 8.105 -1.095 -2.017 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.794 1.825 -2.140 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.463 1.030 -1.323 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.486 -0.002 0.128 1.00 0.00 H new ATOM 0 HG3 ARG A 120 10.273 1.473 -0.397 1.00 0.00 H new ATOM 0 HD2 ARG A 120 7.557 2.062 0.452 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.383 1.159 1.706 1.00 0.00 H new ATOM 0 HE ARG A 120 10.120 3.236 0.751 1.00 0.00 H new ATOM 0 HH11 ARG A 120 7.170 2.720 2.619 1.00 0.00 H new ATOM 0 HH12 ARG A 120 7.393 4.177 3.593 1.00 0.00 H new ATOM 0 HH21 ARG A 120 10.401 5.107 2.004 1.00 0.00 H new ATOM 0 HH22 ARG A 120 9.216 5.523 3.246 1.00 0.00 H new ATOM 333 N CYS A 121 7.576 -0.762 -4.400 1.00 0.00 N ATOM 334 CA CYS A 121 7.236 -0.602 -5.809 1.00 0.00 C ATOM 335 C CYS A 121 6.338 0.614 -6.017 1.00 0.00 C ATOM 336 O CYS A 121 5.920 1.263 -5.058 1.00 0.00 O ATOM 337 CB CYS A 121 6.540 -1.859 -6.333 1.00 0.00 C ATOM 338 SG CYS A 121 7.552 -3.370 -6.223 1.00 0.00 S ATOM 0 H CYS A 121 7.019 -1.461 -3.909 1.00 0.00 H new ATOM 0 HA CYS A 121 8.161 -0.448 -6.365 1.00 0.00 H new ATOM 0 HB2 CYS A 121 5.617 -2.011 -5.773 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.258 -1.698 -7.374 1.00 0.00 H new ATOM 343 N LYS A 122 6.045 0.918 -7.277 1.00 0.00 N ATOM 344 CA LYS A 122 5.196 2.054 -7.614 1.00 0.00 C ATOM 345 C LYS A 122 3.754 1.800 -7.188 1.00 0.00 C ATOM 346 O LYS A 122 3.344 0.665 -6.942 1.00 0.00 O ATOM 347 CB LYS A 122 5.254 2.333 -9.118 1.00 0.00 C ATOM 348 CG LYS A 122 6.461 3.154 -9.538 1.00 0.00 C ATOM 349 CD LYS A 122 6.261 3.777 -10.909 1.00 0.00 C ATOM 350 CE LYS A 122 7.144 3.115 -11.956 1.00 0.00 C ATOM 351 NZ LYS A 122 8.323 3.957 -12.300 1.00 0.00 N ATOM 0 H LYS A 122 6.384 0.392 -8.083 1.00 0.00 H new ATOM 0 HA LYS A 122 5.567 2.926 -7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.266 1.384 -9.655 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.346 2.857 -9.417 1.00 0.00 H new ATOM 0 HG2 LYS A 122 6.642 3.939 -8.804 1.00 0.00 H new ATOM 0 HG3 LYS A 122 7.347 2.519 -9.551 1.00 0.00 H new ATOM 0 HD2 LYS A 122 5.215 3.685 -11.203 1.00 0.00 H new ATOM 0 HD3 LYS A 122 6.487 4.842 -10.862 1.00 0.00 H new ATOM 0 HE2 LYS A 122 7.484 2.148 -11.585 1.00 0.00 H new ATOM 0 HE3 LYS A 122 6.559 2.924 -12.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 8.899 3.471 -13.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 7.999 4.870 -12.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 8.895 4.119 -11.447 1.00 0.00 H new ATOM 365 N PRO A 123 2.963 2.880 -7.101 1.00 0.00 N ATOM 366 CA PRO A 123 1.553 2.799 -6.707 1.00 0.00 C ATOM 367 C PRO A 123 0.691 2.132 -7.774 1.00 0.00 C ATOM 368 O PRO A 123 -0.328 1.516 -7.465 1.00 0.00 O ATOM 369 CB PRO A 123 1.149 4.265 -6.532 1.00 0.00 C ATOM 370 CG PRO A 123 2.086 5.023 -7.406 1.00 0.00 C ATOM 371 CD PRO A 123 3.384 4.263 -7.380 1.00 0.00 C ATOM 0 HA PRO A 123 1.414 2.195 -5.811 1.00 0.00 H new ATOM 0 HB2 PRO A 123 0.113 4.428 -6.828 1.00 0.00 H new ATOM 0 HB3 PRO A 123 1.237 4.578 -5.492 1.00 0.00 H new ATOM 0 HG2 PRO A 123 1.698 5.098 -8.422 1.00 0.00 H new ATOM 0 HG3 PRO A 123 2.223 6.041 -7.041 1.00 0.00 H new ATOM 0 HD2 PRO A 123 3.913 4.338 -8.330 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.056 4.642 -6.610 1.00 0.00 H new ATOM 379 N GLU A 124 1.107 2.260 -9.030 1.00 0.00 N ATOM 380 CA GLU A 124 0.371 1.669 -10.142 1.00 0.00 C ATOM 381 C GLU A 124 0.656 0.174 -10.249 1.00 0.00 C ATOM 382 O GLU A 124 -0.192 -0.600 -10.694 1.00 0.00 O ATOM 383 CB GLU A 124 0.740 2.365 -11.454 1.00 0.00 C ATOM 384 CG GLU A 124 0.950 3.863 -11.310 1.00 0.00 C ATOM 385 CD GLU A 124 -0.239 4.561 -10.679 1.00 0.00 C ATOM 386 OE1 GLU A 124 -1.368 4.041 -10.803 1.00 0.00 O ATOM 387 OE2 GLU A 124 -0.041 5.628 -10.061 1.00 0.00 O ATOM 0 H GLU A 124 1.949 2.767 -9.303 1.00 0.00 H new ATOM 0 HA GLU A 124 -0.694 1.806 -9.953 1.00 0.00 H new ATOM 0 HB2 GLU A 124 1.650 1.915 -11.850 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -0.048 2.186 -12.185 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.837 4.045 -10.704 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.141 4.295 -12.292 1.00 0.00 H new ATOM 394 N ASP A 125 1.854 -0.225 -9.839 1.00 0.00 N ATOM 395 CA ASP A 125 2.252 -1.627 -9.888 1.00 0.00 C ATOM 396 C ASP A 125 1.564 -2.426 -8.785 1.00 0.00 C ATOM 397 O ASP A 125 1.290 -1.904 -7.704 1.00 0.00 O ATOM 398 CB ASP A 125 3.770 -1.754 -9.756 1.00 0.00 C ATOM 399 CG ASP A 125 4.487 -1.527 -11.072 1.00 0.00 C ATOM 400 OD1 ASP A 125 3.999 -0.709 -11.880 1.00 0.00 O ATOM 401 OD2 ASP A 125 5.536 -2.167 -11.294 1.00 0.00 O ATOM 0 H ASP A 125 2.567 0.403 -9.469 1.00 0.00 H new ATOM 0 HA ASP A 125 1.944 -2.033 -10.852 1.00 0.00 H new ATOM 0 HB2 ASP A 125 4.129 -1.034 -9.021 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.017 -2.746 -9.377 1.00 0.00 H new ATOM 406 N THR A 126 1.287 -3.696 -9.066 1.00 0.00 N ATOM 407 CA THR A 126 0.629 -4.566 -8.099 1.00 0.00 C ATOM 408 C THR A 126 1.131 -6.000 -8.220 1.00 0.00 C ATOM 409 O THR A 126 0.507 -6.931 -7.711 1.00 0.00 O ATOM 410 CB THR A 126 -0.901 -4.552 -8.280 1.00 0.00 C ATOM 411 OG1 THR A 126 -1.266 -5.334 -9.423 1.00 0.00 O ATOM 412 CG2 THR A 126 -1.413 -3.129 -8.448 1.00 0.00 C ATOM 0 H THR A 126 1.508 -4.144 -9.955 1.00 0.00 H new ATOM 0 HA THR A 126 0.873 -4.181 -7.109 1.00 0.00 H new ATOM 0 HB THR A 126 -1.355 -4.981 -7.387 1.00 0.00 H new ATOM 0 HG1 THR A 126 -2.240 -5.322 -9.530 1.00 0.00 H new ATOM 0 HG21 THR A 126 -2.496 -3.144 -8.574 1.00 0.00 H new ATOM 0 HG22 THR A 126 -1.159 -2.544 -7.564 1.00 0.00 H new ATOM 0 HG23 THR A 126 -0.952 -2.678 -9.326 1.00 0.00 H new ATOM 420 N ALA A 127 2.261 -6.172 -8.898 1.00 0.00 N ATOM 421 CA ALA A 127 2.848 -7.493 -9.083 1.00 0.00 C ATOM 422 C ALA A 127 4.364 -7.406 -9.220 1.00 0.00 C ATOM 423 O ALA A 127 4.892 -6.458 -9.801 1.00 0.00 O ATOM 424 CB ALA A 127 2.244 -8.172 -10.304 1.00 0.00 C ATOM 0 H ALA A 127 2.788 -5.412 -9.328 1.00 0.00 H new ATOM 0 HA ALA A 127 2.623 -8.090 -8.199 1.00 0.00 H new ATOM 0 HB1 ALA A 127 2.691 -9.158 -10.431 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.168 -8.277 -10.167 1.00 0.00 H new ATOM 0 HB3 ALA A 127 2.440 -7.568 -11.190 1.00 0.00 H new ATOM 430 N CYS A 128 5.060 -8.401 -8.679 1.00 0.00 N ATOM 431 CA CYS A 128 6.516 -8.437 -8.739 1.00 0.00 C ATOM 432 C CYS A 128 6.991 -9.214 -9.963 1.00 0.00 C ATOM 433 O CYS A 128 6.253 -10.026 -10.520 1.00 0.00 O ATOM 434 CB CYS A 128 7.084 -9.070 -7.467 1.00 0.00 C ATOM 435 SG CYS A 128 6.360 -8.422 -5.926 1.00 0.00 S ATOM 0 H CYS A 128 4.638 -9.193 -8.194 1.00 0.00 H new ATOM 0 HA CYS A 128 6.877 -7.412 -8.819 1.00 0.00 H new ATOM 0 HB2 CYS A 128 6.922 -10.147 -7.507 1.00 0.00 H new ATOM 0 HB3 CYS A 128 8.162 -8.910 -7.445 1.00 0.00 H new ATOM 440 N MET A 129 8.228 -8.959 -10.376 1.00 0.00 N ATOM 441 CA MET A 129 8.802 -9.635 -11.533 1.00 0.00 C ATOM 442 C MET A 129 10.216 -10.123 -11.232 1.00 0.00 C ATOM 443 O MET A 129 10.957 -9.487 -10.481 1.00 0.00 O ATOM 444 CB MET A 129 8.821 -8.697 -12.742 1.00 0.00 C ATOM 445 CG MET A 129 8.440 -9.379 -14.046 1.00 0.00 C ATOM 446 SD MET A 129 8.486 -8.256 -15.456 1.00 0.00 S ATOM 447 CE MET A 129 7.528 -9.179 -16.655 1.00 0.00 C ATOM 0 H MET A 129 8.852 -8.289 -9.926 1.00 0.00 H new ATOM 0 HA MET A 129 8.179 -10.499 -11.762 1.00 0.00 H new ATOM 0 HB2 MET A 129 8.135 -7.869 -12.560 1.00 0.00 H new ATOM 0 HB3 MET A 129 9.818 -8.268 -12.843 1.00 0.00 H new ATOM 0 HG2 MET A 129 9.119 -10.212 -14.228 1.00 0.00 H new ATOM 0 HG3 MET A 129 7.438 -9.799 -13.953 1.00 0.00 H new ATOM 0 HE1 MET A 129 8.125 -9.338 -17.553 1.00 0.00 H new ATOM 0 HE2 MET A 129 7.246 -10.143 -16.231 1.00 0.00 H new ATOM 0 HE3 MET A 129 6.629 -8.618 -16.912 1.00 0.00 H new ATOM 457 N THR A 130 10.585 -11.256 -11.822 1.00 0.00 N ATOM 458 CA THR A 130 11.908 -11.830 -11.615 1.00 0.00 C ATOM 459 C THR A 130 12.489 -12.359 -12.921 1.00 0.00 C ATOM 460 O THR A 130 11.769 -12.910 -13.755 1.00 0.00 O ATOM 461 CB THR A 130 11.870 -12.973 -10.583 1.00 0.00 C ATOM 462 OG1 THR A 130 10.924 -12.671 -9.552 1.00 0.00 O ATOM 463 CG2 THR A 130 13.244 -13.194 -9.969 1.00 0.00 C ATOM 0 H THR A 130 9.985 -11.794 -12.447 1.00 0.00 H new ATOM 0 HA THR A 130 12.543 -11.029 -11.236 1.00 0.00 H new ATOM 0 HB THR A 130 11.568 -13.886 -11.096 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.666 -13.497 -9.093 1.00 0.00 H new ATOM 0 HG21 THR A 130 13.192 -14.006 -9.243 1.00 0.00 H new ATOM 0 HG22 THR A 130 13.956 -13.453 -10.753 1.00 0.00 H new ATOM 0 HG23 THR A 130 13.570 -12.282 -9.470 1.00 0.00 H new ATOM 471 N THR A 131 13.795 -12.188 -13.095 1.00 0.00 N ATOM 472 CA THR A 131 14.473 -12.648 -14.301 1.00 0.00 C ATOM 473 C THR A 131 15.409 -13.811 -13.996 1.00 0.00 C ATOM 474 O THR A 131 16.498 -13.619 -13.453 1.00 0.00 O ATOM 475 CB THR A 131 15.279 -11.513 -14.960 1.00 0.00 C ATOM 476 OG1 THR A 131 14.604 -10.263 -14.780 1.00 0.00 O ATOM 477 CG2 THR A 131 15.476 -11.780 -16.445 1.00 0.00 C ATOM 0 H THR A 131 14.405 -11.734 -12.416 1.00 0.00 H new ATOM 0 HA THR A 131 13.698 -12.981 -14.992 1.00 0.00 H new ATOM 0 HB THR A 131 16.258 -11.468 -14.482 1.00 0.00 H new ATOM 0 HG1 THR A 131 15.124 -9.547 -15.201 1.00 0.00 H new ATOM 0 HG21 THR A 131 16.048 -10.965 -16.889 1.00 0.00 H new ATOM 0 HG22 THR A 131 16.017 -12.717 -16.578 1.00 0.00 H new ATOM 0 HG23 THR A 131 14.504 -11.850 -16.934 1.00 0.00 H new ATOM 747 N ARG A 149 15.290 -9.196 -9.749 1.00 0.00 N ATOM 748 CA ARG A 149 13.880 -8.993 -9.438 1.00 0.00 C ATOM 749 C ARG A 149 13.515 -7.513 -9.507 1.00 0.00 C ATOM 750 O ARG A 149 14.211 -6.665 -8.948 1.00 0.00 O ATOM 751 CB ARG A 149 13.560 -9.544 -8.047 1.00 0.00 C ATOM 752 CG ARG A 149 12.145 -10.085 -7.917 1.00 0.00 C ATOM 753 CD ARG A 149 11.818 -10.451 -6.478 1.00 0.00 C ATOM 754 NE ARG A 149 11.264 -11.798 -6.369 1.00 0.00 N ATOM 755 CZ ARG A 149 10.069 -12.141 -6.838 1.00 0.00 C ATOM 756 NH1 ARG A 149 9.308 -11.241 -7.445 1.00 0.00 N ATOM 757 NH2 ARG A 149 9.634 -13.387 -6.699 1.00 0.00 N ATOM 0 HA ARG A 149 13.289 -9.530 -10.180 1.00 0.00 H new ATOM 0 HB2 ARG A 149 14.267 -10.339 -7.809 1.00 0.00 H new ATOM 0 HB3 ARG A 149 13.707 -8.755 -7.310 1.00 0.00 H new ATOM 0 HG2 ARG A 149 11.435 -9.339 -8.274 1.00 0.00 H new ATOM 0 HG3 ARG A 149 12.031 -10.964 -8.552 1.00 0.00 H new ATOM 0 HD2 ARG A 149 12.721 -10.380 -5.872 1.00 0.00 H new ATOM 0 HD3 ARG A 149 11.105 -9.732 -6.074 1.00 0.00 H new ATOM 0 HE ARG A 149 11.825 -12.514 -5.908 1.00 0.00 H new ATOM 0 HH11 ARG A 149 9.639 -10.282 -7.553 1.00 0.00 H new ATOM 0 HH12 ARG A 149 8.391 -11.507 -7.804 1.00 0.00 H new ATOM 0 HH21 ARG A 149 10.217 -14.082 -6.232 1.00 0.00 H new ATOM 0 HH22 ARG A 149 8.717 -13.650 -7.059 1.00 0.00 H new ATOM 771 N SER A 150 12.420 -7.211 -10.197 1.00 0.00 N ATOM 772 CA SER A 150 11.965 -5.833 -10.343 1.00 0.00 C ATOM 773 C SER A 150 10.443 -5.755 -10.282 1.00 0.00 C ATOM 774 O SER A 150 9.747 -6.734 -10.554 1.00 0.00 O ATOM 775 CB SER A 150 12.465 -5.246 -11.664 1.00 0.00 C ATOM 776 OG SER A 150 13.762 -5.724 -11.977 1.00 0.00 O ATOM 0 H SER A 150 11.832 -7.901 -10.664 1.00 0.00 H new ATOM 0 HA SER A 150 12.375 -5.251 -9.517 1.00 0.00 H new ATOM 0 HB2 SER A 150 11.775 -5.507 -12.466 1.00 0.00 H new ATOM 0 HB3 SER A 150 12.481 -4.158 -11.599 1.00 0.00 H new ATOM 0 HG SER A 150 14.058 -5.335 -12.826 1.00 0.00 H new ATOM 782 N CYS A 151 9.931 -4.582 -9.923 1.00 0.00 N ATOM 783 CA CYS A 151 8.491 -4.373 -9.825 1.00 0.00 C ATOM 784 C CYS A 151 7.841 -4.411 -11.205 1.00 0.00 C ATOM 785 O CYS A 151 8.491 -4.147 -12.217 1.00 0.00 O ATOM 786 CB CYS A 151 8.194 -3.035 -9.146 1.00 0.00 C ATOM 787 SG CYS A 151 9.085 -2.784 -7.577 1.00 0.00 S ATOM 0 H CYS A 151 10.492 -3.761 -9.695 1.00 0.00 H new ATOM 0 HA CYS A 151 8.072 -5.179 -9.223 1.00 0.00 H new ATOM 0 HB2 CYS A 151 8.451 -2.227 -9.831 1.00 0.00 H new ATOM 0 HB3 CYS A 151 7.123 -2.965 -8.958 1.00 0.00 H new ATOM 792 N SER A 152 6.554 -4.741 -11.238 1.00 0.00 N ATOM 793 CA SER A 152 5.816 -4.817 -12.493 1.00 0.00 C ATOM 794 C SER A 152 4.342 -4.487 -12.278 1.00 0.00 C ATOM 795 O SER A 152 3.833 -4.570 -11.160 1.00 0.00 O ATOM 796 CB SER A 152 5.953 -6.212 -13.107 1.00 0.00 C ATOM 797 OG SER A 152 5.225 -6.310 -14.319 1.00 0.00 O ATOM 0 H SER A 152 6.001 -4.960 -10.410 1.00 0.00 H new ATOM 0 HA SER A 152 6.239 -4.083 -13.179 1.00 0.00 H new ATOM 0 HB2 SER A 152 7.005 -6.429 -13.292 1.00 0.00 H new ATOM 0 HB3 SER A 152 5.593 -6.960 -12.401 1.00 0.00 H new ATOM 0 HG SER A 152 5.330 -7.210 -14.692 1.00 0.00 H new ATOM 803 N SER A 153 3.662 -4.111 -13.357 1.00 0.00 N ATOM 804 CA SER A 153 2.248 -3.765 -13.286 1.00 0.00 C ATOM 805 C SER A 153 1.409 -4.733 -14.114 1.00 0.00 C ATOM 806 O SER A 153 0.254 -4.454 -14.436 1.00 0.00 O ATOM 807 CB SER A 153 2.027 -2.333 -13.778 1.00 0.00 C ATOM 808 OG SER A 153 2.888 -2.026 -14.860 1.00 0.00 O ATOM 0 H SER A 153 4.068 -4.038 -14.290 1.00 0.00 H new ATOM 0 HA SER A 153 1.934 -3.838 -12.245 1.00 0.00 H new ATOM 0 HB2 SER A 153 0.990 -2.208 -14.088 1.00 0.00 H new ATOM 0 HB3 SER A 153 2.202 -1.633 -12.961 1.00 0.00 H new ATOM 0 HG SER A 153 2.725 -1.106 -15.157 1.00 0.00 H new ATOM 814 N SER A 154 1.999 -5.874 -14.457 1.00 0.00 N ATOM 815 CA SER A 154 1.309 -6.883 -15.251 1.00 0.00 C ATOM 816 C SER A 154 2.099 -8.189 -15.275 1.00 0.00 C ATOM 817 O SER A 154 2.961 -8.391 -16.131 1.00 0.00 O ATOM 818 CB SER A 154 1.092 -6.379 -16.679 1.00 0.00 C ATOM 819 OG SER A 154 2.212 -5.640 -17.134 1.00 0.00 O ATOM 0 H SER A 154 2.954 -6.122 -14.197 1.00 0.00 H new ATOM 0 HA SER A 154 0.340 -7.073 -14.789 1.00 0.00 H new ATOM 0 HB2 SER A 154 0.916 -7.225 -17.344 1.00 0.00 H new ATOM 0 HB3 SER A 154 0.200 -5.753 -16.716 1.00 0.00 H new ATOM 0 HG SER A 154 2.050 -5.330 -18.049 1.00 0.00 H new ATOM 825 N CYS A 155 1.798 -9.073 -14.330 1.00 0.00 N ATOM 826 CA CYS A 155 2.478 -10.359 -14.240 1.00 0.00 C ATOM 827 C CYS A 155 2.094 -11.260 -15.410 1.00 0.00 C ATOM 828 O CYS A 155 0.976 -11.773 -15.472 1.00 0.00 O ATOM 829 CB CYS A 155 2.137 -11.048 -12.917 1.00 0.00 C ATOM 830 SG CYS A 155 2.419 -12.848 -12.923 1.00 0.00 S ATOM 0 H CYS A 155 1.087 -8.922 -13.615 1.00 0.00 H new ATOM 0 HA CYS A 155 3.552 -10.178 -14.281 1.00 0.00 H new ATOM 0 HB2 CYS A 155 2.733 -10.600 -12.122 1.00 0.00 H new ATOM 0 HB3 CYS A 155 1.091 -10.855 -12.678 1.00 0.00 H new ATOM 1006 N ILE A 169 10.658 -16.057 -16.490 1.00 0.00 N ATOM 1007 CA ILE A 169 10.197 -14.849 -15.818 1.00 0.00 C ATOM 1008 C ILE A 169 9.131 -15.171 -14.776 1.00 0.00 C ATOM 1009 O ILE A 169 8.013 -15.558 -15.116 1.00 0.00 O ATOM 1010 CB ILE A 169 9.626 -13.829 -16.821 1.00 0.00 C ATOM 1011 CG1 ILE A 169 10.690 -13.444 -17.851 1.00 0.00 C ATOM 1012 CG2 ILE A 169 9.117 -12.596 -16.091 1.00 0.00 C ATOM 1013 CD1 ILE A 169 10.745 -14.375 -19.042 1.00 0.00 C ATOM 0 HA ILE A 169 11.065 -14.413 -15.323 1.00 0.00 H new ATOM 0 HB ILE A 169 8.788 -14.288 -17.346 1.00 0.00 H new ATOM 0 HG12 ILE A 169 10.495 -12.431 -18.201 1.00 0.00 H new ATOM 0 HG13 ILE A 169 11.666 -13.431 -17.365 1.00 0.00 H new ATOM 0 HG21 ILE A 169 8.717 -11.885 -16.814 1.00 0.00 H new ATOM 0 HG22 ILE A 169 8.331 -12.885 -15.393 1.00 0.00 H new ATOM 0 HG23 ILE A 169 9.938 -12.133 -15.543 1.00 0.00 H new ATOM 0 HD11 ILE A 169 11.522 -14.040 -19.730 1.00 0.00 H new ATOM 0 HD12 ILE A 169 10.971 -15.386 -18.703 1.00 0.00 H new ATOM 0 HD13 ILE A 169 9.782 -14.370 -19.552 1.00 0.00 H new ATOM 1025 N PHE A 170 9.485 -15.008 -13.506 1.00 0.00 N ATOM 1026 CA PHE A 170 8.558 -15.281 -12.413 1.00 0.00 C ATOM 1027 C PHE A 170 7.909 -13.993 -11.916 1.00 0.00 C ATOM 1028 O PHE A 170 8.524 -12.926 -11.937 1.00 0.00 O ATOM 1029 CB PHE A 170 9.286 -15.977 -11.261 1.00 0.00 C ATOM 1030 CG PHE A 170 9.264 -17.475 -11.356 1.00 0.00 C ATOM 1031 CD1 PHE A 170 9.980 -18.131 -12.345 1.00 0.00 C ATOM 1032 CD2 PHE A 170 8.526 -18.229 -10.457 1.00 0.00 C ATOM 1033 CE1 PHE A 170 9.962 -19.510 -12.434 1.00 0.00 C ATOM 1034 CE2 PHE A 170 8.505 -19.608 -10.542 1.00 0.00 C ATOM 1035 CZ PHE A 170 9.222 -20.250 -11.532 1.00 0.00 C ATOM 0 H PHE A 170 10.407 -14.688 -13.208 1.00 0.00 H new ATOM 0 HA PHE A 170 7.775 -15.939 -12.789 1.00 0.00 H new ATOM 0 HB2 PHE A 170 10.322 -15.638 -11.238 1.00 0.00 H new ATOM 0 HB3 PHE A 170 8.831 -15.674 -10.318 1.00 0.00 H new ATOM 0 HD1 PHE A 170 10.559 -17.558 -13.054 1.00 0.00 H new ATOM 0 HD2 PHE A 170 7.961 -17.733 -9.681 1.00 0.00 H new ATOM 0 HE1 PHE A 170 10.526 -20.009 -13.208 1.00 0.00 H new ATOM 0 HE2 PHE A 170 7.928 -20.184 -9.834 1.00 0.00 H new ATOM 0 HZ PHE A 170 9.204 -21.328 -11.601 1.00 0.00 H new ATOM 1045 N CYS A 171 6.663 -14.100 -11.469 1.00 0.00 N ATOM 1046 CA CYS A 171 5.928 -12.945 -10.967 1.00 0.00 C ATOM 1047 C CYS A 171 4.903 -13.366 -9.918 1.00 0.00 C ATOM 1048 O CYS A 171 4.494 -14.527 -9.865 1.00 0.00 O ATOM 1049 CB CYS A 171 5.228 -12.219 -12.118 1.00 0.00 C ATOM 1050 SG CYS A 171 4.288 -13.317 -13.227 1.00 0.00 S ATOM 0 H CYS A 171 6.140 -14.975 -11.444 1.00 0.00 H new ATOM 0 HA CYS A 171 6.642 -12.267 -10.500 1.00 0.00 H new ATOM 0 HB2 CYS A 171 4.551 -11.472 -11.704 1.00 0.00 H new ATOM 0 HB3 CYS A 171 5.975 -11.682 -12.703 1.00 0.00 H new ATOM 1055 N CYS A 172 4.490 -12.416 -9.087 1.00 0.00 N ATOM 1056 CA CYS A 172 3.513 -12.687 -8.039 1.00 0.00 C ATOM 1057 C CYS A 172 2.683 -11.443 -7.735 1.00 0.00 C ATOM 1058 O CYS A 172 2.894 -10.383 -8.324 1.00 0.00 O ATOM 1059 CB CYS A 172 4.216 -13.167 -6.768 1.00 0.00 C ATOM 1060 SG CYS A 172 5.366 -11.951 -6.050 1.00 0.00 S ATOM 0 H CYS A 172 4.817 -11.450 -9.119 1.00 0.00 H new ATOM 0 HA CYS A 172 2.845 -13.471 -8.394 1.00 0.00 H new ATOM 0 HB2 CYS A 172 3.462 -13.422 -6.023 1.00 0.00 H new ATOM 0 HB3 CYS A 172 4.765 -14.082 -6.992 1.00 0.00 H new ATOM 1065 N PHE A 173 1.738 -11.580 -6.810 1.00 0.00 N ATOM 1066 CA PHE A 173 0.876 -10.468 -6.427 1.00 0.00 C ATOM 1067 C PHE A 173 0.800 -10.337 -4.909 1.00 0.00 C ATOM 1068 O PHE A 173 -0.242 -9.982 -4.357 1.00 0.00 O ATOM 1069 CB PHE A 173 -0.528 -10.662 -7.004 1.00 0.00 C ATOM 1070 CG PHE A 173 -0.530 -11.146 -8.426 1.00 0.00 C ATOM 1071 CD1 PHE A 173 -0.431 -12.498 -8.712 1.00 0.00 C ATOM 1072 CD2 PHE A 173 -0.632 -10.248 -9.477 1.00 0.00 C ATOM 1073 CE1 PHE A 173 -0.431 -12.945 -10.020 1.00 0.00 C ATOM 1074 CE2 PHE A 173 -0.633 -10.690 -10.787 1.00 0.00 C ATOM 1075 CZ PHE A 173 -0.534 -12.041 -11.058 1.00 0.00 C ATOM 0 H PHE A 173 1.550 -12.450 -6.312 1.00 0.00 H new ATOM 0 HA PHE A 173 1.305 -9.552 -6.832 1.00 0.00 H new ATOM 0 HB2 PHE A 173 -1.071 -11.376 -6.385 1.00 0.00 H new ATOM 0 HB3 PHE A 173 -1.068 -9.717 -6.949 1.00 0.00 H new ATOM 0 HD1 PHE A 173 -0.353 -13.210 -7.904 1.00 0.00 H new ATOM 0 HD2 PHE A 173 -0.712 -9.191 -9.270 1.00 0.00 H new ATOM 0 HE1 PHE A 173 -0.350 -14.001 -10.230 1.00 0.00 H new ATOM 0 HE2 PHE A 173 -0.711 -9.980 -11.597 1.00 0.00 H new ATOM 0 HZ PHE A 173 -0.537 -12.389 -12.080 1.00 0.00 H new ATOM 1085 N ARG A 174 1.911 -10.626 -4.240 1.00 0.00 N ATOM 1086 CA ARG A 174 1.971 -10.542 -2.786 1.00 0.00 C ATOM 1087 C ARG A 174 3.293 -9.932 -2.330 1.00 0.00 C ATOM 1088 O ARG A 174 4.355 -10.259 -2.861 1.00 0.00 O ATOM 1089 CB ARG A 174 1.797 -11.929 -2.166 1.00 0.00 C ATOM 1090 CG ARG A 174 0.385 -12.477 -2.286 1.00 0.00 C ATOM 1091 CD ARG A 174 -0.338 -12.453 -0.948 1.00 0.00 C ATOM 1092 NE ARG A 174 -1.774 -12.671 -1.097 1.00 0.00 N ATOM 1093 CZ ARG A 174 -2.643 -12.552 -0.100 1.00 0.00 C ATOM 1094 NH1 ARG A 174 -2.224 -12.219 1.113 1.00 0.00 N ATOM 1095 NH2 ARG A 174 -3.935 -12.767 -0.315 1.00 0.00 N ATOM 0 H ARG A 174 2.782 -10.920 -4.682 1.00 0.00 H new ATOM 0 HA ARG A 174 1.159 -9.897 -2.451 1.00 0.00 H new ATOM 0 HB2 ARG A 174 2.488 -12.622 -2.646 1.00 0.00 H new ATOM 0 HB3 ARG A 174 2.072 -11.884 -1.112 1.00 0.00 H new ATOM 0 HG2 ARG A 174 -0.174 -11.889 -3.013 1.00 0.00 H new ATOM 0 HG3 ARG A 174 0.421 -13.499 -2.663 1.00 0.00 H new ATOM 0 HD2 ARG A 174 0.079 -13.221 -0.297 1.00 0.00 H new ATOM 0 HD3 ARG A 174 -0.166 -11.494 -0.460 1.00 0.00 H new ATOM 0 HE ARG A 174 -2.129 -12.929 -2.018 1.00 0.00 H new ATOM 0 HH11 ARG A 174 -1.232 -12.053 1.282 1.00 0.00 H new ATOM 0 HH12 ARG A 174 -2.894 -12.128 1.877 1.00 0.00 H new ATOM 0 HH21 ARG A 174 -4.261 -13.024 -1.247 1.00 0.00 H new ATOM 0 HH22 ARG A 174 -4.602 -12.675 0.451 1.00 0.00 H new ATOM 1109 N ASP A 175 3.221 -9.043 -1.345 1.00 0.00 N ATOM 1110 CA ASP A 175 4.412 -8.387 -0.818 1.00 0.00 C ATOM 1111 C ASP A 175 5.400 -9.413 -0.271 1.00 0.00 C ATOM 1112 O ASP A 175 5.076 -10.179 0.638 1.00 0.00 O ATOM 1113 CB ASP A 175 4.029 -7.393 0.280 1.00 0.00 C ATOM 1114 CG ASP A 175 3.012 -6.372 -0.193 1.00 0.00 C ATOM 1115 OD1 ASP A 175 1.885 -6.777 -0.545 1.00 0.00 O ATOM 1116 OD2 ASP A 175 3.345 -5.168 -0.211 1.00 0.00 O ATOM 0 H ASP A 175 2.350 -8.760 -0.895 1.00 0.00 H new ATOM 0 HA ASP A 175 4.891 -7.847 -1.635 1.00 0.00 H new ATOM 0 HB2 ASP A 175 3.624 -7.937 1.133 1.00 0.00 H new ATOM 0 HB3 ASP A 175 4.924 -6.876 0.627 1.00 0.00 H new ATOM 1121 N LEU A 176 6.605 -9.422 -0.830 1.00 0.00 N ATOM 1122 CA LEU A 176 7.641 -10.355 -0.398 1.00 0.00 C ATOM 1123 C LEU A 176 7.199 -11.798 -0.615 1.00 0.00 C ATOM 1124 O LEU A 176 7.559 -12.691 0.152 1.00 0.00 O ATOM 1125 CB LEU A 176 7.976 -10.128 1.077 1.00 0.00 C ATOM 1126 CG LEU A 176 8.212 -8.677 1.496 1.00 0.00 C ATOM 1127 CD1 LEU A 176 8.793 -8.615 2.900 1.00 0.00 C ATOM 1128 CD2 LEU A 176 9.131 -7.978 0.505 1.00 0.00 C ATOM 0 H LEU A 176 6.889 -8.795 -1.583 1.00 0.00 H new ATOM 0 HA LEU A 176 8.532 -10.174 -0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 176 7.162 -10.531 1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 176 8.869 -10.705 1.319 1.00 0.00 H new ATOM 0 HG LEU A 176 7.253 -8.159 1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 176 8.954 -7.574 3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 176 8.099 -9.077 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 176 9.743 -9.149 2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 176 9.288 -6.946 0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 176 10.089 -8.496 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.675 -7.990 -0.485 1.00 0.00 H new ATOM 1140 N CYS A 177 6.417 -12.021 -1.667 1.00 0.00 N ATOM 1141 CA CYS A 177 5.927 -13.356 -1.987 1.00 0.00 C ATOM 1142 C CYS A 177 7.070 -14.367 -2.000 1.00 0.00 C ATOM 1143 O CYS A 177 6.862 -15.557 -1.771 1.00 0.00 O ATOM 1144 CB CYS A 177 5.221 -13.351 -3.344 1.00 0.00 C ATOM 1145 SG CYS A 177 6.353 -13.353 -4.772 1.00 0.00 S ATOM 0 H CYS A 177 6.109 -11.293 -2.312 1.00 0.00 H new ATOM 0 HA CYS A 177 5.215 -13.649 -1.215 1.00 0.00 H new ATOM 0 HB2 CYS A 177 4.572 -14.225 -3.407 1.00 0.00 H new ATOM 0 HB3 CYS A 177 4.579 -12.472 -3.404 1.00 0.00 H new