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 -161:sc=-0.00787 (180deg=-0.558) USER MOD Set 1.2: A 131 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 105 THR OG1 : rot 180:sc= -0.768 USER MOD Set 2.2: A 119 THR OG1 : rot 140:sc= 0.506 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 28:sc= 0.0758 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 81:sc= 0.438 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 152 SER OG : rot 180:sc= 0.0602 USER MOD Single : A 153 SER OG : rot 180:sc= 0.0148 USER MOD Single : A 154 SER OG : rot 51:sc= 0.032 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 101 2.858 -1.602 -3.922 1.00 0.00 N ATOM 19 CA LEU A 101 3.412 -2.916 -4.229 1.00 0.00 C ATOM 20 C LEU A 101 4.841 -3.038 -3.711 1.00 0.00 C ATOM 21 O LEU A 101 5.709 -2.234 -4.052 1.00 0.00 O ATOM 22 CB LEU A 101 3.381 -3.164 -5.738 1.00 0.00 C ATOM 23 CG LEU A 101 3.177 -4.615 -6.175 1.00 0.00 C ATOM 24 CD1 LEU A 101 3.780 -4.848 -7.551 1.00 0.00 C ATOM 25 CD2 LEU A 101 3.783 -5.570 -5.157 1.00 0.00 C ATOM 0 HA LEU A 101 2.799 -3.667 -3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.583 -2.560 -6.169 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.318 -2.805 -6.164 1.00 0.00 H new ATOM 0 HG LEU A 101 2.106 -4.809 -6.232 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.625 -5.886 -7.845 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.299 -4.190 -8.275 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.849 -4.635 -7.521 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.628 -6.598 -5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.852 -5.375 -5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.304 -5.422 -4.189 1.00 0.00 H new ATOM 37 N LYS A 102 5.081 -4.052 -2.886 1.00 0.00 N ATOM 38 CA LYS A 102 6.406 -4.284 -2.322 1.00 0.00 C ATOM 39 C LYS A 102 6.963 -5.628 -2.778 1.00 0.00 C ATOM 40 O LYS A 102 6.288 -6.655 -2.688 1.00 0.00 O ATOM 41 CB LYS A 102 6.349 -4.235 -0.794 1.00 0.00 C ATOM 42 CG LYS A 102 6.034 -2.856 -0.241 1.00 0.00 C ATOM 43 CD LYS A 102 6.715 -2.624 1.098 1.00 0.00 C ATOM 44 CE LYS A 102 6.611 -1.169 1.531 1.00 0.00 C ATOM 45 NZ LYS A 102 7.476 -0.878 2.707 1.00 0.00 N ATOM 0 H LYS A 102 4.375 -4.727 -2.593 1.00 0.00 H new ATOM 0 HA LYS A 102 7.069 -3.496 -2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.594 -4.939 -0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.306 -4.569 -0.392 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.357 -2.095 -0.952 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.956 -2.747 -0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.260 -3.263 1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.765 -2.910 1.028 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.896 -0.522 0.701 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.575 -0.936 1.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.377 0.123 2.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.188 -1.477 3.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.468 -1.076 2.466 1.00 0.00 H new ATOM 59 N CYS A 103 8.199 -5.617 -3.267 1.00 0.00 N ATOM 60 CA CYS A 103 8.848 -6.835 -3.736 1.00 0.00 C ATOM 61 C CYS A 103 10.238 -6.981 -3.124 1.00 0.00 C ATOM 62 O CYS A 103 10.904 -5.990 -2.827 1.00 0.00 O ATOM 63 CB CYS A 103 8.949 -6.828 -5.263 1.00 0.00 C ATOM 64 SG CYS A 103 7.479 -6.156 -6.103 1.00 0.00 S ATOM 0 H CYS A 103 8.771 -4.777 -3.349 1.00 0.00 H new ATOM 0 HA CYS A 103 8.241 -7.684 -3.422 1.00 0.00 H new ATOM 0 HB2 CYS A 103 9.821 -6.243 -5.556 1.00 0.00 H new ATOM 0 HB3 CYS A 103 9.118 -7.847 -5.610 1.00 0.00 H new ATOM 69 N TYR A 104 10.668 -8.224 -2.938 1.00 0.00 N ATOM 70 CA TYR A 104 11.977 -8.501 -2.359 1.00 0.00 C ATOM 71 C TYR A 104 13.088 -8.225 -3.367 1.00 0.00 C ATOM 72 O TYR A 104 13.709 -9.149 -3.894 1.00 0.00 O ATOM 73 CB TYR A 104 12.052 -9.954 -1.886 1.00 0.00 C ATOM 74 CG TYR A 104 11.505 -10.166 -0.492 1.00 0.00 C ATOM 75 CD1 TYR A 104 12.156 -9.643 0.618 1.00 0.00 C ATOM 76 CD2 TYR A 104 10.337 -10.889 -0.286 1.00 0.00 C ATOM 77 CE1 TYR A 104 11.661 -9.834 1.893 1.00 0.00 C ATOM 78 CE2 TYR A 104 9.833 -11.084 0.986 1.00 0.00 C ATOM 79 CZ TYR A 104 10.499 -10.556 2.072 1.00 0.00 C ATOM 80 OH TYR A 104 10.001 -10.748 3.340 1.00 0.00 O ATOM 0 H TYR A 104 10.129 -9.056 -3.180 1.00 0.00 H new ATOM 0 HA TYR A 104 12.115 -7.840 -1.503 1.00 0.00 H new ATOM 0 HB2 TYR A 104 11.500 -10.583 -2.584 1.00 0.00 H new ATOM 0 HB3 TYR A 104 13.091 -10.283 -1.914 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.066 -9.077 0.481 1.00 0.00 H new ATOM 0 HD2 TYR A 104 9.814 -11.306 -1.134 1.00 0.00 H new ATOM 0 HE1 TYR A 104 12.180 -9.421 2.745 1.00 0.00 H new ATOM 0 HE2 TYR A 104 8.922 -11.647 1.129 1.00 0.00 H new ATOM 0 HH TYR A 104 9.177 -11.276 3.291 1.00 0.00 H new ATOM 90 N THR A 105 13.334 -6.946 -3.631 1.00 0.00 N ATOM 91 CA THR A 105 14.369 -6.546 -4.576 1.00 0.00 C ATOM 92 C THR A 105 15.622 -6.068 -3.850 1.00 0.00 C ATOM 93 O THR A 105 15.556 -5.189 -2.989 1.00 0.00 O ATOM 94 CB THR A 105 13.874 -5.427 -5.512 1.00 0.00 C ATOM 95 OG1 THR A 105 13.943 -4.163 -4.843 1.00 0.00 O ATOM 96 CG2 THR A 105 12.445 -5.692 -5.962 1.00 0.00 C ATOM 0 H THR A 105 12.830 -6.169 -3.203 1.00 0.00 H new ATOM 0 HA THR A 105 14.610 -7.427 -5.171 1.00 0.00 H new ATOM 0 HB THR A 105 14.517 -5.407 -6.392 1.00 0.00 H new ATOM 0 HG1 THR A 105 13.628 -3.457 -5.445 1.00 0.00 H new ATOM 0 HG21 THR A 105 12.117 -4.889 -6.622 1.00 0.00 H new ATOM 0 HG22 THR A 105 12.402 -6.641 -6.496 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.791 -5.736 -5.091 1.00 0.00 H new ATOM 104 N CYS A 106 16.763 -6.650 -4.202 1.00 0.00 N ATOM 105 CA CYS A 106 18.031 -6.284 -3.585 1.00 0.00 C ATOM 106 C CYS A 106 18.614 -5.034 -4.238 1.00 0.00 C ATOM 107 O CYS A 106 18.383 -4.772 -5.419 1.00 0.00 O ATOM 108 CB CYS A 106 19.028 -7.440 -3.692 1.00 0.00 C ATOM 109 SG CYS A 106 19.266 -8.061 -5.388 1.00 0.00 S ATOM 0 H CYS A 106 16.835 -7.378 -4.913 1.00 0.00 H new ATOM 0 HA CYS A 106 17.845 -6.070 -2.533 1.00 0.00 H new ATOM 0 HB2 CYS A 106 19.990 -7.114 -3.298 1.00 0.00 H new ATOM 0 HB3 CYS A 106 18.686 -8.260 -3.061 1.00 0.00 H new ATOM 0 HG CYS A 106 19.041 -7.102 -6.237 1.00 0.00 H new ATOM 276 N ILE A 118 13.153 -5.861 1.190 1.00 0.00 N ATOM 277 CA ILE A 118 11.844 -5.252 0.986 1.00 0.00 C ATOM 278 C ILE A 118 11.973 -3.875 0.344 1.00 0.00 C ATOM 279 O ILE A 118 12.458 -2.929 0.966 1.00 0.00 O ATOM 280 CB ILE A 118 11.074 -5.117 2.313 1.00 0.00 C ATOM 281 CG1 ILE A 118 10.906 -6.487 2.972 1.00 0.00 C ATOM 282 CG2 ILE A 118 9.719 -4.468 2.075 1.00 0.00 C ATOM 283 CD1 ILE A 118 10.139 -6.441 4.275 1.00 0.00 C ATOM 0 HA ILE A 118 11.289 -5.911 0.318 1.00 0.00 H new ATOM 0 HB ILE A 118 11.648 -4.479 2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 118 10.391 -7.153 2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 118 11.891 -6.917 3.155 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.187 -4.379 3.022 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.861 -3.477 1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.137 -5.082 1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 118 10.058 -7.448 4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 118 10.664 -5.801 4.984 1.00 0.00 H new ATOM 0 HD13 ILE A 118 9.141 -6.041 4.096 1.00 0.00 H new ATOM 295 N THR A 119 11.534 -3.768 -0.907 1.00 0.00 N ATOM 296 CA THR A 119 11.599 -2.507 -1.635 1.00 0.00 C ATOM 297 C THR A 119 10.221 -2.088 -2.132 1.00 0.00 C ATOM 298 O THR A 119 9.400 -2.929 -2.499 1.00 0.00 O ATOM 299 CB THR A 119 12.560 -2.601 -2.835 1.00 0.00 C ATOM 300 OG1 THR A 119 13.907 -2.747 -2.374 1.00 0.00 O ATOM 301 CG2 THR A 119 12.450 -1.363 -3.713 1.00 0.00 C ATOM 0 H THR A 119 11.130 -4.540 -1.437 1.00 0.00 H new ATOM 0 HA THR A 119 11.973 -1.757 -0.938 1.00 0.00 H new ATOM 0 HB THR A 119 12.283 -3.473 -3.427 1.00 0.00 H new ATOM 0 HG1 THR A 119 14.380 -3.389 -2.944 1.00 0.00 H new ATOM 0 HG21 THR A 119 13.138 -1.451 -4.554 1.00 0.00 H new ATOM 0 HG22 THR A 119 11.430 -1.271 -4.086 1.00 0.00 H new ATOM 0 HG23 THR A 119 12.704 -0.479 -3.128 1.00 0.00 H new ATOM 309 N ARG A 120 9.973 -0.782 -2.144 1.00 0.00 N ATOM 310 CA ARG A 120 8.693 -0.251 -2.597 1.00 0.00 C ATOM 311 C ARG A 120 8.713 0.008 -4.100 1.00 0.00 C ATOM 312 O ARG A 120 9.583 0.717 -4.607 1.00 0.00 O ATOM 313 CB ARG A 120 8.360 1.041 -1.850 1.00 0.00 C ATOM 314 CG ARG A 120 8.782 1.028 -0.390 1.00 0.00 C ATOM 315 CD ARG A 120 10.061 1.822 -0.173 1.00 0.00 C ATOM 316 NE ARG A 120 11.231 0.955 -0.058 1.00 0.00 N ATOM 317 CZ ARG A 120 12.479 1.382 -0.209 1.00 0.00 C ATOM 318 NH1 ARG A 120 12.719 2.658 -0.480 1.00 0.00 N ATOM 319 NH2 ARG A 120 13.492 0.533 -0.089 1.00 0.00 N ATOM 0 H ARG A 120 10.642 -0.072 -1.845 1.00 0.00 H new ATOM 0 HA ARG A 120 7.924 -0.994 -2.384 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.847 1.877 -2.352 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.286 1.217 -1.907 1.00 0.00 H new ATOM 0 HG2 ARG A 120 7.984 1.446 0.224 1.00 0.00 H new ATOM 0 HG3 ARG A 120 8.931 -0.001 -0.062 1.00 0.00 H new ATOM 0 HD2 ARG A 120 10.203 2.514 -1.003 1.00 0.00 H new ATOM 0 HD3 ARG A 120 9.965 2.423 0.731 1.00 0.00 H new ATOM 0 HE ARG A 120 11.081 -0.032 0.150 1.00 0.00 H new ATOM 0 HH11 ARG A 120 11.944 3.314 -0.573 1.00 0.00 H new ATOM 0 HH12 ARG A 120 13.679 2.983 -0.595 1.00 0.00 H new ATOM 0 HH21 ARG A 120 13.312 -0.449 0.120 1.00 0.00 H new ATOM 0 HH22 ARG A 120 14.450 0.863 -0.205 1.00 0.00 H new ATOM 333 N CYS A 121 7.750 -0.572 -4.808 1.00 0.00 N ATOM 334 CA CYS A 121 7.657 -0.406 -6.254 1.00 0.00 C ATOM 335 C CYS A 121 7.006 0.929 -6.607 1.00 0.00 C ATOM 336 O CYS A 121 6.646 1.710 -5.725 1.00 0.00 O ATOM 337 CB CYS A 121 6.856 -1.554 -6.870 1.00 0.00 C ATOM 338 SG CYS A 121 7.641 -3.188 -6.690 1.00 0.00 S ATOM 0 H CYS A 121 7.022 -1.162 -4.404 1.00 0.00 H new ATOM 0 HA CYS A 121 8.668 -0.417 -6.662 1.00 0.00 H new ATOM 0 HB2 CYS A 121 5.869 -1.584 -6.408 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.705 -1.350 -7.930 1.00 0.00 H new ATOM 343 N LYS A 122 6.858 1.184 -7.902 1.00 0.00 N ATOM 344 CA LYS A 122 6.250 2.423 -8.374 1.00 0.00 C ATOM 345 C LYS A 122 4.729 2.314 -8.381 1.00 0.00 C ATOM 346 O LYS A 122 4.160 1.223 -8.337 1.00 0.00 O ATOM 347 CB LYS A 122 6.755 2.760 -9.779 1.00 0.00 C ATOM 348 CG LYS A 122 8.156 2.248 -10.061 1.00 0.00 C ATOM 349 CD LYS A 122 8.806 3.003 -11.209 1.00 0.00 C ATOM 350 CE LYS A 122 9.872 2.164 -11.896 1.00 0.00 C ATOM 351 NZ LYS A 122 11.168 2.890 -11.998 1.00 0.00 N ATOM 0 H LYS A 122 7.151 0.549 -8.644 1.00 0.00 H new ATOM 0 HA LYS A 122 6.536 3.223 -7.691 1.00 0.00 H new ATOM 0 HB2 LYS A 122 6.069 2.338 -10.513 1.00 0.00 H new ATOM 0 HB3 LYS A 122 6.739 3.842 -9.912 1.00 0.00 H new ATOM 0 HG2 LYS A 122 8.768 2.349 -9.165 1.00 0.00 H new ATOM 0 HG3 LYS A 122 8.115 1.185 -10.300 1.00 0.00 H new ATOM 0 HD2 LYS A 122 8.045 3.290 -11.934 1.00 0.00 H new ATOM 0 HD3 LYS A 122 9.252 3.924 -10.834 1.00 0.00 H new ATOM 0 HE2 LYS A 122 10.018 1.237 -11.342 1.00 0.00 H new ATOM 0 HE3 LYS A 122 9.530 1.889 -12.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 11.869 2.285 -12.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 11.035 3.762 -12.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 11.507 3.131 -11.045 1.00 0.00 H new ATOM 365 N PRO A 123 4.052 3.471 -8.439 1.00 0.00 N ATOM 366 CA PRO A 123 2.588 3.531 -8.455 1.00 0.00 C ATOM 367 C PRO A 123 2.000 3.009 -9.762 1.00 0.00 C ATOM 368 O PRO A 123 0.883 2.494 -9.788 1.00 0.00 O ATOM 369 CB PRO A 123 2.293 5.025 -8.295 1.00 0.00 C ATOM 370 CG PRO A 123 3.506 5.709 -8.822 1.00 0.00 C ATOM 371 CD PRO A 123 4.665 4.809 -8.493 1.00 0.00 C ATOM 0 HA PRO A 123 2.146 2.909 -7.677 1.00 0.00 H new ATOM 0 HB2 PRO A 123 1.402 5.314 -8.852 1.00 0.00 H new ATOM 0 HB3 PRO A 123 2.115 5.284 -7.251 1.00 0.00 H new ATOM 0 HG2 PRO A 123 3.428 5.868 -9.898 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.631 6.690 -8.363 1.00 0.00 H new ATOM 0 HD2 PRO A 123 5.445 4.864 -9.253 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.126 5.079 -7.543 1.00 0.00 H new ATOM 379 N GLU A 124 2.761 3.146 -10.843 1.00 0.00 N ATOM 380 CA GLU A 124 2.314 2.688 -12.154 1.00 0.00 C ATOM 381 C GLU A 124 2.368 1.165 -12.245 1.00 0.00 C ATOM 382 O GLU A 124 1.574 0.547 -12.954 1.00 0.00 O ATOM 383 CB GLU A 124 3.175 3.307 -13.256 1.00 0.00 C ATOM 384 CG GLU A 124 3.541 4.759 -13.000 1.00 0.00 C ATOM 385 CD GLU A 124 2.327 5.630 -12.741 1.00 0.00 C ATOM 386 OE1 GLU A 124 1.845 5.648 -11.589 1.00 0.00 O ATOM 387 OE2 GLU A 124 1.859 6.292 -13.690 1.00 0.00 O ATOM 0 H GLU A 124 3.689 3.570 -10.837 1.00 0.00 H new ATOM 0 HA GLU A 124 1.280 3.007 -12.289 1.00 0.00 H new ATOM 0 HB2 GLU A 124 4.090 2.724 -13.361 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.642 3.237 -14.204 1.00 0.00 H new ATOM 0 HG2 GLU A 124 4.213 4.815 -12.143 1.00 0.00 H new ATOM 0 HG3 GLU A 124 4.087 5.149 -13.859 1.00 0.00 H new ATOM 394 N ASP A 125 3.311 0.569 -11.524 1.00 0.00 N ATOM 395 CA ASP A 125 3.469 -0.881 -11.522 1.00 0.00 C ATOM 396 C ASP A 125 2.478 -1.535 -10.564 1.00 0.00 C ATOM 397 O ASP A 125 2.022 -0.913 -9.605 1.00 0.00 O ATOM 398 CB ASP A 125 4.899 -1.259 -11.133 1.00 0.00 C ATOM 399 CG ASP A 125 5.817 -1.369 -12.334 1.00 0.00 C ATOM 400 OD1 ASP A 125 5.623 -0.603 -13.302 1.00 0.00 O ATOM 401 OD2 ASP A 125 6.730 -2.220 -12.307 1.00 0.00 O ATOM 0 H ASP A 125 3.977 1.067 -10.934 1.00 0.00 H new ATOM 0 HA ASP A 125 3.266 -1.245 -12.529 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.294 -0.512 -10.445 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.888 -2.210 -10.600 1.00 0.00 H new ATOM 406 N THR A 126 2.148 -2.795 -10.832 1.00 0.00 N ATOM 407 CA THR A 126 1.210 -3.533 -9.996 1.00 0.00 C ATOM 408 C THR A 126 1.570 -5.013 -9.940 1.00 0.00 C ATOM 409 O THR A 126 0.759 -5.844 -9.530 1.00 0.00 O ATOM 410 CB THR A 126 -0.235 -3.387 -10.509 1.00 0.00 C ATOM 411 OG1 THR A 126 -0.405 -4.137 -11.716 1.00 0.00 O ATOM 412 CG2 THR A 126 -0.574 -1.925 -10.762 1.00 0.00 C ATOM 0 H THR A 126 2.517 -3.325 -11.622 1.00 0.00 H new ATOM 0 HA THR A 126 1.277 -3.107 -8.995 1.00 0.00 H new ATOM 0 HB THR A 126 -0.909 -3.773 -9.745 1.00 0.00 H new ATOM 0 HG1 THR A 126 -1.327 -4.040 -12.034 1.00 0.00 H new ATOM 0 HG21 THR A 126 -1.599 -1.847 -11.124 1.00 0.00 H new ATOM 0 HG22 THR A 126 -0.472 -1.362 -9.834 1.00 0.00 H new ATOM 0 HG23 THR A 126 0.107 -1.518 -11.510 1.00 0.00 H new ATOM 420 N ALA A 127 2.791 -5.336 -10.354 1.00 0.00 N ATOM 421 CA ALA A 127 3.259 -6.717 -10.348 1.00 0.00 C ATOM 422 C ALA A 127 4.760 -6.787 -10.089 1.00 0.00 C ATOM 423 O ALA A 127 5.486 -5.819 -10.322 1.00 0.00 O ATOM 424 CB ALA A 127 2.916 -7.396 -11.666 1.00 0.00 C ATOM 0 H ALA A 127 3.474 -4.661 -10.698 1.00 0.00 H new ATOM 0 HA ALA A 127 2.753 -7.243 -9.539 1.00 0.00 H new ATOM 0 HB1 ALA A 127 3.271 -8.426 -11.648 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.836 -7.387 -11.809 1.00 0.00 H new ATOM 0 HB3 ALA A 127 3.395 -6.862 -12.486 1.00 0.00 H new ATOM 430 N CYS A 128 5.220 -7.936 -9.607 1.00 0.00 N ATOM 431 CA CYS A 128 6.635 -8.132 -9.315 1.00 0.00 C ATOM 432 C CYS A 128 7.259 -9.124 -10.293 1.00 0.00 C ATOM 433 O CYS A 128 6.572 -9.982 -10.846 1.00 0.00 O ATOM 434 CB CYS A 128 6.817 -8.630 -7.880 1.00 0.00 C ATOM 435 SG CYS A 128 6.175 -7.492 -6.611 1.00 0.00 S ATOM 0 H CYS A 128 4.633 -8.747 -9.410 1.00 0.00 H new ATOM 0 HA CYS A 128 7.140 -7.172 -9.426 1.00 0.00 H new ATOM 0 HB2 CYS A 128 6.318 -9.593 -7.775 1.00 0.00 H new ATOM 0 HB3 CYS A 128 7.878 -8.799 -7.697 1.00 0.00 H new ATOM 440 N MET A 129 8.566 -8.999 -10.500 1.00 0.00 N ATOM 441 CA MET A 129 9.283 -9.885 -11.409 1.00 0.00 C ATOM 442 C MET A 129 10.477 -10.528 -10.712 1.00 0.00 C ATOM 443 O MET A 129 11.147 -9.897 -9.893 1.00 0.00 O ATOM 444 CB MET A 129 9.754 -9.112 -12.643 1.00 0.00 C ATOM 445 CG MET A 129 9.681 -9.918 -13.929 1.00 0.00 C ATOM 446 SD MET A 129 10.645 -9.183 -15.265 1.00 0.00 S ATOM 447 CE MET A 129 11.697 -10.560 -15.720 1.00 0.00 C ATOM 0 H MET A 129 9.149 -8.293 -10.051 1.00 0.00 H new ATOM 0 HA MET A 129 8.599 -10.674 -11.722 1.00 0.00 H new ATOM 0 HB2 MET A 129 9.147 -8.213 -12.752 1.00 0.00 H new ATOM 0 HB3 MET A 129 10.782 -8.785 -12.486 1.00 0.00 H new ATOM 0 HG2 MET A 129 10.041 -10.929 -13.740 1.00 0.00 H new ATOM 0 HG3 MET A 129 8.640 -10.003 -14.241 1.00 0.00 H new ATOM 0 HE1 MET A 129 12.559 -10.191 -16.276 1.00 0.00 H new ATOM 0 HE2 MET A 129 12.038 -11.071 -14.819 1.00 0.00 H new ATOM 0 HE3 MET A 129 11.135 -11.257 -16.342 1.00 0.00 H new ATOM 457 N THR A 130 10.740 -11.790 -11.041 1.00 0.00 N ATOM 458 CA THR A 130 11.852 -12.519 -10.445 1.00 0.00 C ATOM 459 C THR A 130 12.594 -13.342 -11.492 1.00 0.00 C ATOM 460 O THR A 130 12.071 -14.334 -12.002 1.00 0.00 O ATOM 461 CB THR A 130 11.372 -13.454 -9.319 1.00 0.00 C ATOM 462 OG1 THR A 130 10.335 -12.818 -8.562 1.00 0.00 O ATOM 463 CG2 THR A 130 12.523 -13.828 -8.397 1.00 0.00 C ATOM 0 H THR A 130 10.197 -12.328 -11.717 1.00 0.00 H new ATOM 0 HA THR A 130 12.529 -11.775 -10.025 1.00 0.00 H new ATOM 0 HB THR A 130 10.983 -14.364 -9.775 1.00 0.00 H new ATOM 0 HG1 THR A 130 9.482 -12.908 -9.036 1.00 0.00 H new ATOM 0 HG21 THR A 130 12.159 -14.489 -7.610 1.00 0.00 H new ATOM 0 HG22 THR A 130 13.297 -14.338 -8.970 1.00 0.00 H new ATOM 0 HG23 THR A 130 12.939 -12.925 -7.949 1.00 0.00 H new ATOM 471 N THR A 131 13.816 -12.926 -11.808 1.00 0.00 N ATOM 472 CA THR A 131 14.630 -13.625 -12.795 1.00 0.00 C ATOM 473 C THR A 131 15.598 -14.592 -12.123 1.00 0.00 C ATOM 474 O THR A 131 16.398 -14.196 -11.274 1.00 0.00 O ATOM 475 CB THR A 131 15.429 -12.637 -13.665 1.00 0.00 C ATOM 476 OG1 THR A 131 14.708 -11.407 -13.798 1.00 0.00 O ATOM 477 CG2 THR A 131 15.699 -13.224 -15.042 1.00 0.00 C ATOM 0 H THR A 131 14.264 -12.108 -11.395 1.00 0.00 H new ATOM 0 HA THR A 131 13.945 -14.185 -13.431 1.00 0.00 H new ATOM 0 HB THR A 131 16.384 -12.447 -13.175 1.00 0.00 H new ATOM 0 HG1 THR A 131 15.224 -10.784 -14.351 1.00 0.00 H new ATOM 0 HG21 THR A 131 16.265 -12.508 -15.638 1.00 0.00 H new ATOM 0 HG22 THR A 131 16.274 -14.144 -14.939 1.00 0.00 H new ATOM 0 HG23 THR A 131 14.752 -13.441 -15.537 1.00 0.00 H new ATOM 747 N ARG A 149 15.329 -9.734 -8.717 1.00 0.00 N ATOM 748 CA ARG A 149 13.910 -9.452 -8.531 1.00 0.00 C ATOM 749 C ARG A 149 13.638 -7.953 -8.621 1.00 0.00 C ATOM 750 O ARG A 149 14.147 -7.170 -7.819 1.00 0.00 O ATOM 751 CB ARG A 149 13.436 -9.987 -7.178 1.00 0.00 C ATOM 752 CG ARG A 149 11.979 -10.420 -7.172 1.00 0.00 C ATOM 753 CD ARG A 149 11.522 -10.819 -5.778 1.00 0.00 C ATOM 754 NE ARG A 149 11.781 -12.230 -5.500 1.00 0.00 N ATOM 755 CZ ARG A 149 12.911 -12.678 -4.966 1.00 0.00 C ATOM 756 NH1 ARG A 149 13.883 -11.832 -4.654 1.00 0.00 N ATOM 757 NH2 ARG A 149 13.071 -13.977 -4.743 1.00 0.00 N ATOM 0 HA ARG A 149 13.357 -9.953 -9.326 1.00 0.00 H new ATOM 0 HB2 ARG A 149 14.059 -10.834 -6.893 1.00 0.00 H new ATOM 0 HB3 ARG A 149 13.581 -9.216 -6.421 1.00 0.00 H new ATOM 0 HG2 ARG A 149 11.355 -9.606 -7.542 1.00 0.00 H new ATOM 0 HG3 ARG A 149 11.845 -11.260 -7.854 1.00 0.00 H new ATOM 0 HD2 ARG A 149 12.035 -10.204 -5.038 1.00 0.00 H new ATOM 0 HD3 ARG A 149 10.455 -10.619 -5.675 1.00 0.00 H new ATOM 0 HE ARG A 149 11.054 -12.908 -5.729 1.00 0.00 H new ATOM 0 HH11 ARG A 149 13.764 -10.833 -4.824 1.00 0.00 H new ATOM 0 HH12 ARG A 149 14.750 -12.180 -4.244 1.00 0.00 H new ATOM 0 HH21 ARG A 149 12.326 -14.631 -4.982 1.00 0.00 H new ATOM 0 HH22 ARG A 149 13.939 -14.321 -4.333 1.00 0.00 H new ATOM 771 N SER A 150 12.832 -7.561 -9.603 1.00 0.00 N ATOM 772 CA SER A 150 12.495 -6.157 -9.800 1.00 0.00 C ATOM 773 C SER A 150 11.007 -5.991 -10.092 1.00 0.00 C ATOM 774 O SER A 150 10.330 -6.940 -10.489 1.00 0.00 O ATOM 775 CB SER A 150 13.320 -5.569 -10.947 1.00 0.00 C ATOM 776 OG SER A 150 14.683 -5.939 -10.836 1.00 0.00 O ATOM 0 H SER A 150 12.401 -8.197 -10.274 1.00 0.00 H new ATOM 0 HA SER A 150 12.729 -5.620 -8.881 1.00 0.00 H new ATOM 0 HB2 SER A 150 12.922 -5.916 -11.901 1.00 0.00 H new ATOM 0 HB3 SER A 150 13.233 -4.482 -10.942 1.00 0.00 H new ATOM 0 HG SER A 150 15.189 -5.552 -11.581 1.00 0.00 H new ATOM 782 N CYS A 151 10.503 -4.778 -9.892 1.00 0.00 N ATOM 783 CA CYS A 151 9.095 -4.485 -10.133 1.00 0.00 C ATOM 784 C CYS A 151 8.779 -4.521 -11.625 1.00 0.00 C ATOM 785 O CYS A 151 9.650 -4.281 -12.461 1.00 0.00 O ATOM 786 CB CYS A 151 8.732 -3.115 -9.557 1.00 0.00 C ATOM 787 SG CYS A 151 9.351 -2.831 -7.867 1.00 0.00 S ATOM 0 H CYS A 151 11.049 -3.982 -9.563 1.00 0.00 H new ATOM 0 HA CYS A 151 8.500 -5.251 -9.635 1.00 0.00 H new ATOM 0 HB2 CYS A 151 9.129 -2.340 -10.213 1.00 0.00 H new ATOM 0 HB3 CYS A 151 7.647 -3.008 -9.558 1.00 0.00 H new ATOM 792 N SER A 152 7.526 -4.824 -11.952 1.00 0.00 N ATOM 793 CA SER A 152 7.095 -4.896 -13.343 1.00 0.00 C ATOM 794 C SER A 152 5.624 -4.514 -13.477 1.00 0.00 C ATOM 795 O SER A 152 4.823 -4.761 -12.575 1.00 0.00 O ATOM 796 CB SER A 152 7.321 -6.304 -13.897 1.00 0.00 C ATOM 797 OG SER A 152 6.875 -6.401 -15.239 1.00 0.00 O ATOM 0 H SER A 152 6.792 -5.023 -11.272 1.00 0.00 H new ATOM 0 HA SER A 152 7.690 -4.187 -13.919 1.00 0.00 H new ATOM 0 HB2 SER A 152 8.381 -6.554 -13.844 1.00 0.00 H new ATOM 0 HB3 SER A 152 6.791 -7.030 -13.281 1.00 0.00 H new ATOM 0 HG SER A 152 7.032 -7.310 -15.571 1.00 0.00 H new ATOM 803 N SER A 153 5.276 -3.910 -14.608 1.00 0.00 N ATOM 804 CA SER A 153 3.902 -3.491 -14.860 1.00 0.00 C ATOM 805 C SER A 153 3.176 -4.507 -15.735 1.00 0.00 C ATOM 806 O SER A 153 2.097 -4.231 -16.261 1.00 0.00 O ATOM 807 CB SER A 153 3.881 -2.116 -15.530 1.00 0.00 C ATOM 808 OG SER A 153 4.881 -2.021 -16.531 1.00 0.00 O ATOM 0 H SER A 153 5.926 -3.700 -15.365 1.00 0.00 H new ATOM 0 HA SER A 153 3.386 -3.428 -13.902 1.00 0.00 H new ATOM 0 HB2 SER A 153 2.901 -1.939 -15.973 1.00 0.00 H new ATOM 0 HB3 SER A 153 4.037 -1.340 -14.780 1.00 0.00 H new ATOM 0 HG SER A 153 4.846 -1.134 -16.945 1.00 0.00 H new ATOM 814 N SER A 154 3.775 -5.684 -15.887 1.00 0.00 N ATOM 815 CA SER A 154 3.188 -6.741 -16.702 1.00 0.00 C ATOM 816 C SER A 154 3.793 -8.097 -16.351 1.00 0.00 C ATOM 817 O SER A 154 4.811 -8.500 -16.915 1.00 0.00 O ATOM 818 CB SER A 154 3.398 -6.445 -18.188 1.00 0.00 C ATOM 819 OG SER A 154 4.706 -5.957 -18.431 1.00 0.00 O ATOM 0 H SER A 154 4.666 -5.929 -15.456 1.00 0.00 H new ATOM 0 HA SER A 154 2.119 -6.775 -16.494 1.00 0.00 H new ATOM 0 HB2 SER A 154 3.231 -7.351 -18.770 1.00 0.00 H new ATOM 0 HB3 SER A 154 2.665 -5.711 -18.523 1.00 0.00 H new ATOM 0 HG SER A 154 5.362 -6.563 -18.026 1.00 0.00 H new ATOM 825 N CYS A 155 3.159 -8.796 -15.416 1.00 0.00 N ATOM 826 CA CYS A 155 3.633 -10.107 -14.988 1.00 0.00 C ATOM 827 C CYS A 155 3.497 -11.129 -16.112 1.00 0.00 C ATOM 828 O CYS A 155 2.389 -11.522 -16.478 1.00 0.00 O ATOM 829 CB CYS A 155 2.854 -10.577 -13.758 1.00 0.00 C ATOM 830 SG CYS A 155 2.942 -12.373 -13.464 1.00 0.00 S ATOM 0 H CYS A 155 2.315 -8.477 -14.940 1.00 0.00 H new ATOM 0 HA CYS A 155 4.688 -10.018 -14.729 1.00 0.00 H new ATOM 0 HB2 CYS A 155 3.235 -10.057 -12.879 1.00 0.00 H new ATOM 0 HB3 CYS A 155 1.809 -10.289 -13.871 1.00 0.00 H new ATOM 1006 N ILE A 169 11.258 -16.796 -15.284 1.00 0.00 N ATOM 1007 CA ILE A 169 10.551 -15.563 -14.966 1.00 0.00 C ATOM 1008 C ILE A 169 9.419 -15.818 -13.976 1.00 0.00 C ATOM 1009 O ILE A 169 8.345 -16.288 -14.352 1.00 0.00 O ATOM 1010 CB ILE A 169 9.972 -14.903 -16.231 1.00 0.00 C ATOM 1011 CG1 ILE A 169 11.093 -14.571 -17.218 1.00 0.00 C ATOM 1012 CG2 ILE A 169 9.192 -13.649 -15.865 1.00 0.00 C ATOM 1013 CD1 ILE A 169 10.760 -14.923 -18.651 1.00 0.00 C ATOM 0 HA ILE A 169 11.280 -14.889 -14.516 1.00 0.00 H new ATOM 0 HB ILE A 169 9.289 -15.605 -16.709 1.00 0.00 H new ATOM 0 HG12 ILE A 169 11.317 -13.506 -17.157 1.00 0.00 H new ATOM 0 HG13 ILE A 169 11.997 -15.104 -16.922 1.00 0.00 H new ATOM 0 HG21 ILE A 169 8.789 -13.194 -16.770 1.00 0.00 H new ATOM 0 HG22 ILE A 169 8.373 -13.912 -15.196 1.00 0.00 H new ATOM 0 HG23 ILE A 169 9.854 -12.941 -15.367 1.00 0.00 H new ATOM 0 HD11 ILE A 169 11.600 -14.660 -19.295 1.00 0.00 H new ATOM 0 HD12 ILE A 169 10.565 -15.993 -18.727 1.00 0.00 H new ATOM 0 HD13 ILE A 169 9.875 -14.370 -18.965 1.00 0.00 H new ATOM 1025 N PHE A 170 9.666 -15.502 -12.709 1.00 0.00 N ATOM 1026 CA PHE A 170 8.668 -15.696 -11.664 1.00 0.00 C ATOM 1027 C PHE A 170 8.067 -14.362 -11.231 1.00 0.00 C ATOM 1028 O PHE A 170 8.702 -13.583 -10.520 1.00 0.00 O ATOM 1029 CB PHE A 170 9.291 -16.402 -10.458 1.00 0.00 C ATOM 1030 CG PHE A 170 9.198 -17.900 -10.527 1.00 0.00 C ATOM 1031 CD1 PHE A 170 9.684 -18.588 -11.627 1.00 0.00 C ATOM 1032 CD2 PHE A 170 8.624 -18.619 -9.491 1.00 0.00 C ATOM 1033 CE1 PHE A 170 9.600 -19.966 -11.693 1.00 0.00 C ATOM 1034 CE2 PHE A 170 8.538 -19.997 -9.551 1.00 0.00 C ATOM 1035 CZ PHE A 170 9.025 -20.672 -10.654 1.00 0.00 C ATOM 0 H PHE A 170 10.549 -15.110 -12.381 1.00 0.00 H new ATOM 0 HA PHE A 170 7.871 -16.319 -12.070 1.00 0.00 H new ATOM 0 HB2 PHE A 170 10.339 -16.114 -10.380 1.00 0.00 H new ATOM 0 HB3 PHE A 170 8.797 -16.057 -9.550 1.00 0.00 H new ATOM 0 HD1 PHE A 170 10.134 -18.041 -12.442 1.00 0.00 H new ATOM 0 HD2 PHE A 170 8.240 -18.097 -8.627 1.00 0.00 H new ATOM 0 HE1 PHE A 170 9.983 -20.490 -12.556 1.00 0.00 H new ATOM 0 HE2 PHE A 170 8.090 -20.546 -8.736 1.00 0.00 H new ATOM 0 HZ PHE A 170 8.956 -21.749 -10.704 1.00 0.00 H new ATOM 1045 N CYS A 171 6.838 -14.104 -11.667 1.00 0.00 N ATOM 1046 CA CYS A 171 6.150 -12.865 -11.327 1.00 0.00 C ATOM 1047 C CYS A 171 4.900 -13.146 -10.498 1.00 0.00 C ATOM 1048 O CYS A 171 4.485 -14.297 -10.351 1.00 0.00 O ATOM 1049 CB CYS A 171 5.772 -12.102 -12.598 1.00 0.00 C ATOM 1050 SG CYS A 171 4.760 -13.062 -13.769 1.00 0.00 S ATOM 0 H CYS A 171 6.298 -14.737 -12.257 1.00 0.00 H new ATOM 0 HA CYS A 171 6.828 -12.253 -10.732 1.00 0.00 H new ATOM 0 HB2 CYS A 171 5.228 -11.200 -12.319 1.00 0.00 H new ATOM 0 HB3 CYS A 171 6.684 -11.781 -13.101 1.00 0.00 H new ATOM 1055 N CYS A 172 4.302 -12.088 -9.960 1.00 0.00 N ATOM 1056 CA CYS A 172 3.100 -12.220 -9.147 1.00 0.00 C ATOM 1057 C CYS A 172 2.360 -10.889 -9.051 1.00 0.00 C ATOM 1058 O CYS A 172 2.739 -9.908 -9.691 1.00 0.00 O ATOM 1059 CB CYS A 172 3.458 -12.718 -7.746 1.00 0.00 C ATOM 1060 SG CYS A 172 4.869 -11.851 -6.987 1.00 0.00 S ATOM 0 H CYS A 172 4.631 -11.129 -10.073 1.00 0.00 H new ATOM 0 HA CYS A 172 2.445 -12.947 -9.627 1.00 0.00 H new ATOM 0 HB2 CYS A 172 2.587 -12.608 -7.099 1.00 0.00 H new ATOM 0 HB3 CYS A 172 3.685 -13.783 -7.797 1.00 0.00 H new ATOM 1065 N PHE A 173 1.302 -10.863 -8.247 1.00 0.00 N ATOM 1066 CA PHE A 173 0.508 -9.653 -8.067 1.00 0.00 C ATOM 1067 C PHE A 173 0.226 -9.402 -6.589 1.00 0.00 C ATOM 1068 O PHE A 173 -0.819 -8.860 -6.229 1.00 0.00 O ATOM 1069 CB PHE A 173 -0.809 -9.763 -8.838 1.00 0.00 C ATOM 1070 CG PHE A 173 -0.657 -9.561 -10.318 1.00 0.00 C ATOM 1071 CD1 PHE A 173 -0.644 -8.286 -10.860 1.00 0.00 C ATOM 1072 CD2 PHE A 173 -0.525 -10.647 -11.169 1.00 0.00 C ATOM 1073 CE1 PHE A 173 -0.505 -8.098 -12.222 1.00 0.00 C ATOM 1074 CE2 PHE A 173 -0.385 -10.465 -12.532 1.00 0.00 C ATOM 1075 CZ PHE A 173 -0.373 -9.189 -13.059 1.00 0.00 C ATOM 0 H PHE A 173 0.975 -11.666 -7.710 1.00 0.00 H new ATOM 0 HA PHE A 173 1.080 -8.811 -8.457 1.00 0.00 H new ATOM 0 HB2 PHE A 173 -1.246 -10.745 -8.657 1.00 0.00 H new ATOM 0 HB3 PHE A 173 -1.511 -9.025 -8.449 1.00 0.00 H new ATOM 0 HD1 PHE A 173 -0.744 -7.429 -10.210 1.00 0.00 H new ATOM 0 HD2 PHE A 173 -0.532 -11.647 -10.762 1.00 0.00 H new ATOM 0 HE1 PHE A 173 -0.500 -7.099 -12.632 1.00 0.00 H new ATOM 0 HE2 PHE A 173 -0.285 -11.320 -13.184 1.00 0.00 H new ATOM 0 HZ PHE A 173 -0.261 -9.044 -14.123 1.00 0.00 H new ATOM 1085 N ARG A 174 1.165 -9.801 -5.738 1.00 0.00 N ATOM 1086 CA ARG A 174 1.018 -9.621 -4.298 1.00 0.00 C ATOM 1087 C ARG A 174 2.341 -9.202 -3.665 1.00 0.00 C ATOM 1088 O ARG A 174 3.405 -9.696 -4.039 1.00 0.00 O ATOM 1089 CB ARG A 174 0.517 -10.914 -3.650 1.00 0.00 C ATOM 1090 CG ARG A 174 -0.942 -11.217 -3.946 1.00 0.00 C ATOM 1091 CD ARG A 174 -1.085 -12.206 -5.092 1.00 0.00 C ATOM 1092 NE ARG A 174 -0.978 -13.590 -4.638 1.00 0.00 N ATOM 1093 CZ ARG A 174 -1.308 -14.637 -5.387 1.00 0.00 C ATOM 1094 NH1 ARG A 174 -1.763 -14.457 -6.619 1.00 0.00 N ATOM 1095 NH2 ARG A 174 -1.182 -15.866 -4.903 1.00 0.00 N ATOM 0 H ARG A 174 2.036 -10.251 -6.020 1.00 0.00 H new ATOM 0 HA ARG A 174 0.287 -8.830 -4.128 1.00 0.00 H new ATOM 0 HB2 ARG A 174 1.130 -11.746 -3.997 1.00 0.00 H new ATOM 0 HB3 ARG A 174 0.654 -10.846 -2.571 1.00 0.00 H new ATOM 0 HG2 ARG A 174 -1.419 -11.622 -3.053 1.00 0.00 H new ATOM 0 HG3 ARG A 174 -1.463 -10.293 -4.195 1.00 0.00 H new ATOM 0 HD2 ARG A 174 -2.048 -12.058 -5.580 1.00 0.00 H new ATOM 0 HD3 ARG A 174 -0.316 -12.009 -5.839 1.00 0.00 H new ATOM 0 HE ARG A 174 -0.631 -13.762 -3.694 1.00 0.00 H new ATOM 0 HH11 ARG A 174 -1.860 -13.513 -6.994 1.00 0.00 H new ATOM 0 HH12 ARG A 174 -2.016 -15.262 -7.192 1.00 0.00 H new ATOM 0 HH21 ARG A 174 -0.832 -16.008 -3.956 1.00 0.00 H new ATOM 0 HH22 ARG A 174 -1.435 -16.669 -5.478 1.00 0.00 H new ATOM 1109 N ASP A 175 2.267 -8.287 -2.704 1.00 0.00 N ATOM 1110 CA ASP A 175 3.458 -7.801 -2.018 1.00 0.00 C ATOM 1111 C ASP A 175 4.205 -8.949 -1.346 1.00 0.00 C ATOM 1112 O ASP A 175 3.632 -9.694 -0.550 1.00 0.00 O ATOM 1113 CB ASP A 175 3.079 -6.745 -0.978 1.00 0.00 C ATOM 1114 CG ASP A 175 2.058 -5.755 -1.505 1.00 0.00 C ATOM 1115 OD1 ASP A 175 0.901 -6.163 -1.736 1.00 0.00 O ATOM 1116 OD2 ASP A 175 2.417 -4.572 -1.686 1.00 0.00 O ATOM 0 H ASP A 175 1.395 -7.867 -2.383 1.00 0.00 H new ATOM 0 HA ASP A 175 4.115 -7.349 -2.761 1.00 0.00 H new ATOM 0 HB2 ASP A 175 2.679 -7.238 -0.092 1.00 0.00 H new ATOM 0 HB3 ASP A 175 3.975 -6.208 -0.666 1.00 0.00 H new ATOM 1121 N LEU A 176 5.485 -9.085 -1.671 1.00 0.00 N ATOM 1122 CA LEU A 176 6.311 -10.144 -1.100 1.00 0.00 C ATOM 1123 C LEU A 176 5.676 -11.512 -1.325 1.00 0.00 C ATOM 1124 O LEU A 176 5.751 -12.392 -0.467 1.00 0.00 O ATOM 1125 CB LEU A 176 6.518 -9.905 0.397 1.00 0.00 C ATOM 1126 CG LEU A 176 6.876 -8.475 0.805 1.00 0.00 C ATOM 1127 CD1 LEU A 176 7.260 -8.420 2.275 1.00 0.00 C ATOM 1128 CD2 LEU A 176 8.006 -7.940 -0.063 1.00 0.00 C ATOM 0 H LEU A 176 5.974 -8.476 -2.327 1.00 0.00 H new ATOM 0 HA LEU A 176 7.278 -10.127 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 176 5.606 -10.193 0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 176 7.309 -10.570 0.745 1.00 0.00 H new ATOM 0 HG LEU A 176 5.999 -7.845 0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 176 7.512 -7.395 2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 176 6.422 -8.762 2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 176 8.122 -9.064 2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 176 8.248 -6.922 0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 176 8.886 -8.572 0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 176 7.695 -7.942 -1.108 1.00 0.00 H new ATOM 1140 N CYS A 177 5.051 -11.685 -2.485 1.00 0.00 N ATOM 1141 CA CYS A 177 4.403 -12.946 -2.825 1.00 0.00 C ATOM 1142 C CYS A 177 5.353 -14.120 -2.610 1.00 0.00 C ATOM 1143 O CYS A 177 4.919 -15.251 -2.396 1.00 0.00 O ATOM 1144 CB CYS A 177 3.924 -12.922 -4.278 1.00 0.00 C ATOM 1145 SG CYS A 177 5.217 -13.333 -5.494 1.00 0.00 S ATOM 0 H CYS A 177 4.980 -10.967 -3.206 1.00 0.00 H new ATOM 0 HA CYS A 177 3.542 -13.073 -2.168 1.00 0.00 H new ATOM 0 HB2 CYS A 177 3.099 -13.626 -4.389 1.00 0.00 H new ATOM 0 HB3 CYS A 177 3.530 -11.931 -4.503 1.00 0.00 H new