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 130:sc= -1.26 USER MOD Set 1.2: A 119 THR OG1 : rot 141:sc= 0.472 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= -0.0909 USER MOD Single : A 106 CYS SG : rot 180:sc= 0.203 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 -153:sc= 0 (180deg=-0.143) USER MOD Single : A 130 THR OG1 : rot 160:sc= -0.607 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 152 SER OG : rot 180:sc= 0.0611 USER MOD Single : A 153 SER OG : rot -98:sc= 0.0352 USER MOD Single : A 154 SER OG : rot 53:sc= 0.0193 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 101 3.752 -1.571 -2.411 1.00 0.00 N ATOM 19 CA LEU A 101 4.213 -2.885 -2.847 1.00 0.00 C ATOM 20 C LEU A 101 5.707 -3.050 -2.589 1.00 0.00 C ATOM 21 O LEU A 101 6.519 -2.240 -3.036 1.00 0.00 O ATOM 22 CB LEU A 101 3.914 -3.084 -4.333 1.00 0.00 C ATOM 23 CG LEU A 101 3.586 -4.514 -4.766 1.00 0.00 C ATOM 24 CD1 LEU A 101 3.893 -4.709 -6.242 1.00 0.00 C ATOM 25 CD2 LEU A 101 4.357 -5.517 -3.921 1.00 0.00 C ATOM 0 HA LEU A 101 3.679 -3.641 -2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.075 -2.442 -4.604 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.776 -2.741 -4.906 1.00 0.00 H new ATOM 0 HG LEU A 101 2.520 -4.684 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.653 -5.732 -6.531 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.295 -4.015 -6.833 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.951 -4.520 -6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.111 -6.529 -4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.427 -5.348 -4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.086 -5.394 -2.872 1.00 0.00 H new ATOM 37 N LYS A 102 6.064 -4.107 -1.867 1.00 0.00 N ATOM 38 CA LYS A 102 7.461 -4.382 -1.552 1.00 0.00 C ATOM 39 C LYS A 102 7.865 -5.771 -2.038 1.00 0.00 C ATOM 40 O LYS A 102 7.266 -6.774 -1.649 1.00 0.00 O ATOM 41 CB LYS A 102 7.697 -4.269 -0.044 1.00 0.00 C ATOM 42 CG LYS A 102 7.744 -2.836 0.458 1.00 0.00 C ATOM 43 CD LYS A 102 6.670 -2.575 1.500 1.00 0.00 C ATOM 44 CE LYS A 102 6.946 -1.297 2.277 1.00 0.00 C ATOM 45 NZ LYS A 102 6.279 -0.118 1.659 1.00 0.00 N ATOM 0 H LYS A 102 5.405 -4.787 -1.489 1.00 0.00 H new ATOM 0 HA LYS A 102 8.076 -3.643 -2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.905 -4.803 0.480 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.635 -4.764 0.207 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.725 -2.632 0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 102 7.613 -2.151 -0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.698 -2.503 1.012 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.618 -3.417 2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.599 -1.414 3.304 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.021 -1.124 2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.491 0.733 2.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.629 0.009 0.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.251 -0.272 1.639 1.00 0.00 H new ATOM 59 N CYS A 103 8.884 -5.822 -2.888 1.00 0.00 N ATOM 60 CA CYS A 103 9.369 -7.087 -3.427 1.00 0.00 C ATOM 61 C CYS A 103 10.870 -7.237 -3.195 1.00 0.00 C ATOM 62 O CYS A 103 11.596 -6.247 -3.097 1.00 0.00 O ATOM 63 CB CYS A 103 9.061 -7.180 -4.922 1.00 0.00 C ATOM 64 SG CYS A 103 7.455 -6.464 -5.397 1.00 0.00 S ATOM 0 H CYS A 103 9.391 -5.001 -3.219 1.00 0.00 H new ATOM 0 HA CYS A 103 8.856 -7.896 -2.907 1.00 0.00 H new ATOM 0 HB2 CYS A 103 9.851 -6.673 -5.477 1.00 0.00 H new ATOM 0 HB3 CYS A 103 9.082 -8.228 -5.222 1.00 0.00 H new ATOM 69 N TYR A 104 11.328 -8.481 -3.109 1.00 0.00 N ATOM 70 CA TYR A 104 12.741 -8.761 -2.887 1.00 0.00 C ATOM 71 C TYR A 104 13.565 -8.423 -4.126 1.00 0.00 C ATOM 72 O TYR A 104 13.903 -9.301 -4.921 1.00 0.00 O ATOM 73 CB TYR A 104 12.939 -10.232 -2.515 1.00 0.00 C ATOM 74 CG TYR A 104 12.502 -10.564 -1.106 1.00 0.00 C ATOM 75 CD1 TYR A 104 13.105 -9.960 -0.010 1.00 0.00 C ATOM 76 CD2 TYR A 104 11.486 -11.483 -0.872 1.00 0.00 C ATOM 77 CE1 TYR A 104 12.709 -10.261 1.279 1.00 0.00 C ATOM 78 CE2 TYR A 104 11.083 -11.789 0.414 1.00 0.00 C ATOM 79 CZ TYR A 104 11.698 -11.176 1.486 1.00 0.00 C ATOM 80 OH TYR A 104 11.300 -11.479 2.768 1.00 0.00 O ATOM 0 H TYR A 104 10.741 -9.311 -3.190 1.00 0.00 H new ATOM 0 HA TYR A 104 13.084 -8.135 -2.063 1.00 0.00 H new ATOM 0 HB2 TYR A 104 12.381 -10.854 -3.215 1.00 0.00 H new ATOM 0 HB3 TYR A 104 13.992 -10.489 -2.630 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.897 -9.243 -0.168 1.00 0.00 H new ATOM 0 HD2 TYR A 104 11.004 -11.966 -1.709 1.00 0.00 H new ATOM 0 HE1 TYR A 104 13.189 -9.782 2.120 1.00 0.00 H new ATOM 0 HE2 TYR A 104 10.291 -12.504 0.579 1.00 0.00 H new ATOM 0 HH TYR A 104 10.577 -12.140 2.738 1.00 0.00 H new ATOM 90 N THR A 105 13.886 -7.143 -4.284 1.00 0.00 N ATOM 91 CA THR A 105 14.670 -6.686 -5.425 1.00 0.00 C ATOM 92 C THR A 105 16.084 -6.303 -5.003 1.00 0.00 C ATOM 93 O THR A 105 16.274 -5.445 -4.141 1.00 0.00 O ATOM 94 CB THR A 105 14.007 -5.479 -6.114 1.00 0.00 C ATOM 95 OG1 THR A 105 14.264 -4.286 -5.366 1.00 0.00 O ATOM 96 CG2 THR A 105 12.506 -5.688 -6.246 1.00 0.00 C ATOM 0 H THR A 105 13.615 -6.404 -3.636 1.00 0.00 H new ATOM 0 HA THR A 105 14.717 -7.517 -6.129 1.00 0.00 H new ATOM 0 HB THR A 105 14.433 -5.380 -7.113 1.00 0.00 H new ATOM 0 HG1 THR A 105 14.603 -3.590 -5.967 1.00 0.00 H new ATOM 0 HG21 THR A 105 12.060 -4.822 -6.736 1.00 0.00 H new ATOM 0 HG22 THR A 105 12.314 -6.581 -6.841 1.00 0.00 H new ATOM 0 HG23 THR A 105 12.067 -5.811 -5.256 1.00 0.00 H new ATOM 104 N CYS A 106 17.073 -6.945 -5.616 1.00 0.00 N ATOM 105 CA CYS A 106 18.471 -6.671 -5.304 1.00 0.00 C ATOM 106 C CYS A 106 19.000 -5.514 -6.147 1.00 0.00 C ATOM 107 O CYS A 106 18.403 -5.144 -7.159 1.00 0.00 O ATOM 108 CB CYS A 106 19.322 -7.920 -5.543 1.00 0.00 C ATOM 109 SG CYS A 106 18.822 -8.894 -6.999 1.00 0.00 S ATOM 0 H CYS A 106 16.932 -7.658 -6.331 1.00 0.00 H new ATOM 0 HA CYS A 106 18.535 -6.391 -4.253 1.00 0.00 H new ATOM 0 HB2 CYS A 106 20.363 -7.620 -5.660 1.00 0.00 H new ATOM 0 HB3 CYS A 106 19.271 -8.556 -4.659 1.00 0.00 H new ATOM 0 HG CYS A 106 19.602 -9.927 -7.118 1.00 0.00 H new ATOM 276 N ILE A 118 14.052 -6.281 1.220 1.00 0.00 N ATOM 277 CA ILE A 118 12.732 -5.672 1.107 1.00 0.00 C ATOM 278 C ILE A 118 12.817 -4.292 0.463 1.00 0.00 C ATOM 279 O ILE A 118 13.099 -3.298 1.132 1.00 0.00 O ATOM 280 CB ILE A 118 12.051 -5.543 2.482 1.00 0.00 C ATOM 281 CG1 ILE A 118 11.945 -6.914 3.153 1.00 0.00 C ATOM 282 CG2 ILE A 118 10.675 -4.911 2.335 1.00 0.00 C ATOM 283 CD1 ILE A 118 11.436 -6.852 4.577 1.00 0.00 C ATOM 0 HA ILE A 118 12.134 -6.330 0.476 1.00 0.00 H new ATOM 0 HB ILE A 118 12.660 -4.896 3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 118 11.280 -7.547 2.565 1.00 0.00 H new ATOM 0 HG13 ILE A 118 12.926 -7.390 3.147 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.207 -4.827 3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.775 -3.919 1.894 1.00 0.00 H new ATOM 0 HG23 ILE A 118 10.056 -5.534 1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 118 11.386 -7.860 4.990 1.00 0.00 H new ATOM 0 HD12 ILE A 118 12.113 -6.246 5.179 1.00 0.00 H new ATOM 0 HD13 ILE A 118 10.442 -6.406 4.589 1.00 0.00 H new ATOM 295 N THR A 119 12.569 -4.238 -0.842 1.00 0.00 N ATOM 296 CA THR A 119 12.617 -2.981 -1.578 1.00 0.00 C ATOM 297 C THR A 119 11.215 -2.488 -1.917 1.00 0.00 C ATOM 298 O THR A 119 10.317 -3.284 -2.192 1.00 0.00 O ATOM 299 CB THR A 119 13.428 -3.122 -2.880 1.00 0.00 C ATOM 300 OG1 THR A 119 14.805 -3.371 -2.575 1.00 0.00 O ATOM 301 CG2 THR A 119 13.311 -1.865 -3.729 1.00 0.00 C ATOM 0 H THR A 119 12.333 -5.051 -1.411 1.00 0.00 H new ATOM 0 HA THR A 119 13.108 -2.255 -0.930 1.00 0.00 H new ATOM 0 HB THR A 119 13.024 -3.962 -3.445 1.00 0.00 H new ATOM 0 HG1 THR A 119 15.167 -4.027 -3.207 1.00 0.00 H new ATOM 0 HG21 THR A 119 13.892 -1.988 -4.643 1.00 0.00 H new ATOM 0 HG22 THR A 119 12.265 -1.694 -3.984 1.00 0.00 H new ATOM 0 HG23 THR A 119 13.692 -1.011 -3.169 1.00 0.00 H new ATOM 309 N ARG A 120 11.034 -1.172 -1.896 1.00 0.00 N ATOM 310 CA ARG A 120 9.740 -0.574 -2.201 1.00 0.00 C ATOM 311 C ARG A 120 9.608 -0.296 -3.695 1.00 0.00 C ATOM 312 O ARG A 120 10.437 0.399 -4.284 1.00 0.00 O ATOM 313 CB ARG A 120 9.555 0.723 -1.411 1.00 0.00 C ATOM 314 CG ARG A 120 10.124 0.666 -0.003 1.00 0.00 C ATOM 315 CD ARG A 120 11.455 1.396 0.090 1.00 0.00 C ATOM 316 NE ARG A 120 12.522 0.527 0.578 1.00 0.00 N ATOM 317 CZ ARG A 120 13.814 0.774 0.391 1.00 0.00 C ATOM 318 NH1 ARG A 120 14.197 1.858 -0.270 1.00 0.00 N ATOM 319 NH2 ARG A 120 14.727 -0.064 0.866 1.00 0.00 N ATOM 0 H ARG A 120 11.767 -0.499 -1.671 1.00 0.00 H new ATOM 0 HA ARG A 120 8.963 -1.282 -1.911 1.00 0.00 H new ATOM 0 HB2 ARG A 120 10.031 1.540 -1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 120 8.492 0.955 -1.355 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.415 1.110 0.695 1.00 0.00 H new ATOM 0 HG3 ARG A 120 10.257 -0.374 0.295 1.00 0.00 H new ATOM 0 HD2 ARG A 120 11.725 1.785 -0.892 1.00 0.00 H new ATOM 0 HD3 ARG A 120 11.353 2.253 0.755 1.00 0.00 H new ATOM 0 HE ARG A 120 12.261 -0.316 1.090 1.00 0.00 H new ATOM 0 HH11 ARG A 120 13.499 2.505 -0.637 1.00 0.00 H new ATOM 0 HH12 ARG A 120 15.190 2.045 -0.412 1.00 0.00 H new ATOM 0 HH21 ARG A 120 14.437 -0.899 1.375 1.00 0.00 H new ATOM 0 HH22 ARG A 120 15.719 0.127 0.722 1.00 0.00 H new ATOM 333 N CYS A 121 8.561 -0.842 -4.304 1.00 0.00 N ATOM 334 CA CYS A 121 8.320 -0.655 -5.729 1.00 0.00 C ATOM 335 C CYS A 121 7.745 0.731 -6.006 1.00 0.00 C ATOM 336 O CYS A 121 7.603 1.550 -5.098 1.00 0.00 O ATOM 337 CB CYS A 121 7.364 -1.729 -6.252 1.00 0.00 C ATOM 338 SG CYS A 121 8.071 -3.408 -6.268 1.00 0.00 S ATOM 0 H CYS A 121 7.865 -1.419 -3.831 1.00 0.00 H new ATOM 0 HA CYS A 121 9.275 -0.744 -6.248 1.00 0.00 H new ATOM 0 HB2 CYS A 121 6.464 -1.731 -5.636 1.00 0.00 H new ATOM 0 HB3 CYS A 121 7.057 -1.466 -7.264 1.00 0.00 H new ATOM 343 N LYS A 122 7.415 0.988 -7.267 1.00 0.00 N ATOM 344 CA LYS A 122 6.854 2.273 -7.666 1.00 0.00 C ATOM 345 C LYS A 122 5.356 2.326 -7.379 1.00 0.00 C ATOM 346 O LYS A 122 4.697 1.300 -7.204 1.00 0.00 O ATOM 347 CB LYS A 122 7.108 2.525 -9.154 1.00 0.00 C ATOM 348 CG LYS A 122 8.389 1.890 -9.668 1.00 0.00 C ATOM 349 CD LYS A 122 8.924 2.623 -10.886 1.00 0.00 C ATOM 350 CE LYS A 122 9.836 1.732 -11.716 1.00 0.00 C ATOM 351 NZ LYS A 122 10.755 2.527 -12.576 1.00 0.00 N ATOM 0 H LYS A 122 7.527 0.322 -8.031 1.00 0.00 H new ATOM 0 HA LYS A 122 7.346 3.052 -7.083 1.00 0.00 H new ATOM 0 HB2 LYS A 122 6.265 2.140 -9.728 1.00 0.00 H new ATOM 0 HB3 LYS A 122 7.149 3.600 -9.330 1.00 0.00 H new ATOM 0 HG2 LYS A 122 9.141 1.896 -8.879 1.00 0.00 H new ATOM 0 HG3 LYS A 122 8.202 0.847 -9.923 1.00 0.00 H new ATOM 0 HD2 LYS A 122 8.092 2.966 -11.500 1.00 0.00 H new ATOM 0 HD3 LYS A 122 9.472 3.510 -10.567 1.00 0.00 H new ATOM 0 HE2 LYS A 122 10.420 1.093 -11.054 1.00 0.00 H new ATOM 0 HE3 LYS A 122 9.231 1.075 -12.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 11.360 1.884 -13.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 10.198 3.118 -13.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 11.350 3.135 -11.978 1.00 0.00 H new ATOM 365 N PRO A 123 4.805 3.547 -7.331 1.00 0.00 N ATOM 366 CA PRO A 123 3.379 3.762 -7.068 1.00 0.00 C ATOM 367 C PRO A 123 2.500 3.303 -8.227 1.00 0.00 C ATOM 368 O PRO A 123 1.365 2.874 -8.025 1.00 0.00 O ATOM 369 CB PRO A 123 3.276 5.278 -6.887 1.00 0.00 C ATOM 370 CG PRO A 123 4.430 5.830 -7.650 1.00 0.00 C ATOM 371 CD PRO A 123 5.530 4.813 -7.530 1.00 0.00 C ATOM 0 HA PRO A 123 3.033 3.192 -6.206 1.00 0.00 H new ATOM 0 HB2 PRO A 123 2.329 5.659 -7.270 1.00 0.00 H new ATOM 0 HB3 PRO A 123 3.328 5.555 -5.834 1.00 0.00 H new ATOM 0 HG2 PRO A 123 4.164 5.996 -8.694 1.00 0.00 H new ATOM 0 HG3 PRO A 123 4.742 6.792 -7.244 1.00 0.00 H new ATOM 0 HD2 PRO A 123 6.150 4.784 -8.426 1.00 0.00 H new ATOM 0 HD3 PRO A 123 6.191 5.033 -6.692 1.00 0.00 H new ATOM 379 N GLU A 124 3.034 3.397 -9.442 1.00 0.00 N ATOM 380 CA GLU A 124 2.296 2.991 -10.632 1.00 0.00 C ATOM 381 C GLU A 124 2.236 1.471 -10.744 1.00 0.00 C ATOM 382 O GLU A 124 1.308 0.917 -11.333 1.00 0.00 O ATOM 383 CB GLU A 124 2.946 3.580 -11.887 1.00 0.00 C ATOM 384 CG GLU A 124 4.438 3.312 -11.982 1.00 0.00 C ATOM 385 CD GLU A 124 4.986 3.553 -13.375 1.00 0.00 C ATOM 386 OE1 GLU A 124 4.456 2.951 -14.333 1.00 0.00 O ATOM 387 OE2 GLU A 124 5.944 4.343 -13.508 1.00 0.00 O ATOM 0 H GLU A 124 3.973 3.750 -9.627 1.00 0.00 H new ATOM 0 HA GLU A 124 1.278 3.372 -10.544 1.00 0.00 H new ATOM 0 HB2 GLU A 124 2.454 3.168 -12.768 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.777 4.657 -11.902 1.00 0.00 H new ATOM 0 HG2 GLU A 124 4.964 3.951 -11.273 1.00 0.00 H new ATOM 0 HG3 GLU A 124 4.638 2.281 -11.690 1.00 0.00 H new ATOM 394 N ASP A 125 3.233 0.802 -10.175 1.00 0.00 N ATOM 395 CA ASP A 125 3.294 -0.655 -10.209 1.00 0.00 C ATOM 396 C ASP A 125 2.459 -1.260 -9.084 1.00 0.00 C ATOM 397 O ASP A 125 2.244 -0.631 -8.048 1.00 0.00 O ATOM 398 CB ASP A 125 4.744 -1.128 -10.096 1.00 0.00 C ATOM 399 CG ASP A 125 5.416 -1.264 -11.448 1.00 0.00 C ATOM 400 OD1 ASP A 125 5.086 -0.472 -12.356 1.00 0.00 O ATOM 401 OD2 ASP A 125 6.270 -2.162 -11.599 1.00 0.00 O ATOM 0 H ASP A 125 4.010 1.245 -9.685 1.00 0.00 H new ATOM 0 HA ASP A 125 2.884 -0.990 -11.162 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.306 -0.423 -9.483 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.771 -2.089 -9.582 1.00 0.00 H new ATOM 406 N THR A 126 1.990 -2.486 -9.297 1.00 0.00 N ATOM 407 CA THR A 126 1.177 -3.176 -8.303 1.00 0.00 C ATOM 408 C THR A 126 1.434 -4.678 -8.329 1.00 0.00 C ATOM 409 O THR A 126 0.636 -5.463 -7.819 1.00 0.00 O ATOM 410 CB THR A 126 -0.325 -2.919 -8.530 1.00 0.00 C ATOM 411 OG1 THR A 126 -0.772 -3.624 -9.693 1.00 0.00 O ATOM 412 CG2 THR A 126 -0.601 -1.433 -8.694 1.00 0.00 C ATOM 0 H THR A 126 2.159 -3.021 -10.149 1.00 0.00 H new ATOM 0 HA THR A 126 1.463 -2.779 -7.329 1.00 0.00 H new ATOM 0 HB THR A 126 -0.869 -3.279 -7.656 1.00 0.00 H new ATOM 0 HG1 THR A 126 -1.728 -3.457 -9.830 1.00 0.00 H new ATOM 0 HG21 THR A 126 -1.668 -1.276 -8.853 1.00 0.00 H new ATOM 0 HG22 THR A 126 -0.287 -0.903 -7.795 1.00 0.00 H new ATOM 0 HG23 THR A 126 -0.047 -1.052 -9.552 1.00 0.00 H new ATOM 420 N ALA A 127 2.555 -5.071 -8.926 1.00 0.00 N ATOM 421 CA ALA A 127 2.918 -6.480 -9.016 1.00 0.00 C ATOM 422 C ALA A 127 4.433 -6.656 -9.044 1.00 0.00 C ATOM 423 O ALA A 127 5.169 -5.733 -9.397 1.00 0.00 O ATOM 424 CB ALA A 127 2.289 -7.110 -10.250 1.00 0.00 C ATOM 0 H ALA A 127 3.227 -4.434 -9.354 1.00 0.00 H new ATOM 0 HA ALA A 127 2.536 -6.985 -8.129 1.00 0.00 H new ATOM 0 HB1 ALA A 127 2.569 -8.162 -10.304 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.204 -7.026 -10.189 1.00 0.00 H new ATOM 0 HB3 ALA A 127 2.643 -6.594 -11.143 1.00 0.00 H new ATOM 430 N CYS A 128 4.893 -7.845 -8.671 1.00 0.00 N ATOM 431 CA CYS A 128 6.320 -8.141 -8.652 1.00 0.00 C ATOM 432 C CYS A 128 6.696 -9.081 -9.794 1.00 0.00 C ATOM 433 O CYS A 128 5.838 -9.753 -10.366 1.00 0.00 O ATOM 434 CB CYS A 128 6.715 -8.766 -7.312 1.00 0.00 C ATOM 435 SG CYS A 128 6.134 -7.835 -5.858 1.00 0.00 S ATOM 0 H CYS A 128 4.298 -8.620 -8.378 1.00 0.00 H new ATOM 0 HA CYS A 128 6.861 -7.204 -8.782 1.00 0.00 H new ATOM 0 HB2 CYS A 128 6.316 -9.779 -7.264 1.00 0.00 H new ATOM 0 HB3 CYS A 128 7.801 -8.848 -7.267 1.00 0.00 H new ATOM 440 N MET A 129 7.984 -9.123 -10.119 1.00 0.00 N ATOM 441 CA MET A 129 8.473 -9.981 -11.192 1.00 0.00 C ATOM 442 C MET A 129 9.752 -10.699 -10.773 1.00 0.00 C ATOM 443 O MET A 129 10.597 -10.132 -10.080 1.00 0.00 O ATOM 444 CB MET A 129 8.726 -9.159 -12.457 1.00 0.00 C ATOM 445 CG MET A 129 8.337 -9.879 -13.738 1.00 0.00 C ATOM 446 SD MET A 129 8.909 -9.021 -15.218 1.00 0.00 S ATOM 447 CE MET A 129 7.592 -9.413 -16.366 1.00 0.00 C ATOM 0 H MET A 129 8.707 -8.573 -9.655 1.00 0.00 H new ATOM 0 HA MET A 129 7.709 -10.730 -11.402 1.00 0.00 H new ATOM 0 HB2 MET A 129 8.168 -8.225 -12.391 1.00 0.00 H new ATOM 0 HB3 MET A 129 9.783 -8.896 -12.504 1.00 0.00 H new ATOM 0 HG2 MET A 129 8.752 -10.887 -13.724 1.00 0.00 H new ATOM 0 HG3 MET A 129 7.253 -9.981 -13.778 1.00 0.00 H new ATOM 0 HE1 MET A 129 7.980 -9.394 -17.385 1.00 0.00 H new ATOM 0 HE2 MET A 129 7.200 -10.406 -16.145 1.00 0.00 H new ATOM 0 HE3 MET A 129 6.793 -8.678 -16.268 1.00 0.00 H new ATOM 457 N THR A 130 9.889 -11.951 -11.199 1.00 0.00 N ATOM 458 CA THR A 130 11.064 -12.747 -10.867 1.00 0.00 C ATOM 459 C THR A 130 11.558 -13.530 -12.078 1.00 0.00 C ATOM 460 O THR A 130 10.853 -14.393 -12.603 1.00 0.00 O ATOM 461 CB THR A 130 10.770 -13.731 -9.719 1.00 0.00 C ATOM 462 OG1 THR A 130 10.127 -13.045 -8.638 1.00 0.00 O ATOM 463 CG2 THR A 130 12.052 -14.382 -9.222 1.00 0.00 C ATOM 0 H THR A 130 9.200 -12.435 -11.775 1.00 0.00 H new ATOM 0 HA THR A 130 11.838 -12.049 -10.548 1.00 0.00 H new ATOM 0 HB THR A 130 10.109 -14.510 -10.099 1.00 0.00 H new ATOM 0 HG1 THR A 130 9.662 -13.694 -8.069 1.00 0.00 H new ATOM 0 HG21 THR A 130 11.819 -15.073 -8.412 1.00 0.00 H new ATOM 0 HG22 THR A 130 12.524 -14.928 -10.039 1.00 0.00 H new ATOM 0 HG23 THR A 130 12.733 -13.613 -8.859 1.00 0.00 H new ATOM 471 N THR A 131 12.775 -13.225 -12.517 1.00 0.00 N ATOM 472 CA THR A 131 13.364 -13.900 -13.667 1.00 0.00 C ATOM 473 C THR A 131 14.369 -14.959 -13.228 1.00 0.00 C ATOM 474 O THR A 131 15.297 -14.672 -12.471 1.00 0.00 O ATOM 475 CB THR A 131 14.065 -12.901 -14.607 1.00 0.00 C ATOM 476 OG1 THR A 131 13.349 -11.661 -14.626 1.00 0.00 O ATOM 477 CG2 THR A 131 14.159 -13.460 -16.018 1.00 0.00 C ATOM 0 H THR A 131 13.372 -12.515 -12.093 1.00 0.00 H new ATOM 0 HA THR A 131 12.546 -14.380 -14.204 1.00 0.00 H new ATOM 0 HB THR A 131 15.075 -12.731 -14.233 1.00 0.00 H new ATOM 0 HG1 THR A 131 13.802 -11.031 -15.224 1.00 0.00 H new ATOM 0 HG21 THR A 131 14.658 -12.737 -16.663 1.00 0.00 H new ATOM 0 HG22 THR A 131 14.730 -14.388 -16.004 1.00 0.00 H new ATOM 0 HG23 THR A 131 13.157 -13.656 -16.399 1.00 0.00 H new ATOM 747 N ARG A 149 15.063 -10.249 -9.674 1.00 0.00 N ATOM 748 CA ARG A 149 13.719 -9.854 -9.270 1.00 0.00 C ATOM 749 C ARG A 149 13.528 -8.348 -9.416 1.00 0.00 C ATOM 750 O ARG A 149 14.355 -7.559 -8.959 1.00 0.00 O ATOM 751 CB ARG A 149 13.455 -10.275 -7.823 1.00 0.00 C ATOM 752 CG ARG A 149 12.002 -10.622 -7.545 1.00 0.00 C ATOM 753 CD ARG A 149 11.765 -10.886 -6.066 1.00 0.00 C ATOM 754 NE ARG A 149 12.787 -11.760 -5.495 1.00 0.00 N ATOM 755 CZ ARG A 149 12.761 -13.084 -5.595 1.00 0.00 C ATOM 756 NH1 ARG A 149 11.770 -13.684 -6.240 1.00 0.00 N ATOM 757 NH2 ARG A 149 13.728 -13.811 -5.049 1.00 0.00 N ATOM 0 HA ARG A 149 13.007 -10.358 -9.924 1.00 0.00 H new ATOM 0 HB2 ARG A 149 14.078 -11.138 -7.585 1.00 0.00 H new ATOM 0 HB3 ARG A 149 13.761 -9.468 -7.157 1.00 0.00 H new ATOM 0 HG2 ARG A 149 11.362 -9.805 -7.877 1.00 0.00 H new ATOM 0 HG3 ARG A 149 11.720 -11.502 -8.123 1.00 0.00 H new ATOM 0 HD2 ARG A 149 11.755 -9.939 -5.526 1.00 0.00 H new ATOM 0 HD3 ARG A 149 10.783 -11.340 -5.932 1.00 0.00 H new ATOM 0 HE ARG A 149 13.563 -11.330 -4.992 1.00 0.00 H new ATOM 0 HH11 ARG A 149 11.025 -13.128 -6.661 1.00 0.00 H new ATOM 0 HH12 ARG A 149 11.752 -14.701 -6.315 1.00 0.00 H new ATOM 0 HH21 ARG A 149 14.492 -13.353 -4.552 1.00 0.00 H new ATOM 0 HH22 ARG A 149 13.707 -14.828 -5.126 1.00 0.00 H new ATOM 771 N SER A 150 12.431 -7.955 -10.056 1.00 0.00 N ATOM 772 CA SER A 150 12.133 -6.543 -10.266 1.00 0.00 C ATOM 773 C SER A 150 10.627 -6.298 -10.253 1.00 0.00 C ATOM 774 O SER A 150 9.837 -7.202 -10.524 1.00 0.00 O ATOM 775 CB SER A 150 12.727 -6.067 -11.593 1.00 0.00 C ATOM 776 OG SER A 150 14.143 -6.094 -11.557 1.00 0.00 O ATOM 0 H SER A 150 11.734 -8.594 -10.438 1.00 0.00 H new ATOM 0 HA SER A 150 12.583 -5.977 -9.451 1.00 0.00 H new ATOM 0 HB2 SER A 150 12.369 -6.701 -12.404 1.00 0.00 H new ATOM 0 HB3 SER A 150 12.385 -5.054 -11.806 1.00 0.00 H new ATOM 0 HG SER A 150 14.498 -5.787 -12.417 1.00 0.00 H new ATOM 782 N CYS A 151 10.237 -5.068 -9.936 1.00 0.00 N ATOM 783 CA CYS A 151 8.827 -4.701 -9.886 1.00 0.00 C ATOM 784 C CYS A 151 8.218 -4.689 -11.285 1.00 0.00 C ATOM 785 O CYS A 151 8.926 -4.529 -12.280 1.00 0.00 O ATOM 786 CB CYS A 151 8.658 -3.328 -9.233 1.00 0.00 C ATOM 787 SG CYS A 151 9.591 -3.123 -7.682 1.00 0.00 S ATOM 0 H CYS A 151 10.878 -4.308 -9.710 1.00 0.00 H new ATOM 0 HA CYS A 151 8.305 -5.447 -9.287 1.00 0.00 H new ATOM 0 HB2 CYS A 151 8.974 -2.560 -9.939 1.00 0.00 H new ATOM 0 HB3 CYS A 151 7.600 -3.160 -9.033 1.00 0.00 H new ATOM 792 N SER A 152 6.902 -4.860 -11.353 1.00 0.00 N ATOM 793 CA SER A 152 6.198 -4.872 -12.630 1.00 0.00 C ATOM 794 C SER A 152 4.771 -4.356 -12.469 1.00 0.00 C ATOM 795 O SER A 152 4.163 -4.501 -11.408 1.00 0.00 O ATOM 796 CB SER A 152 6.177 -6.287 -13.212 1.00 0.00 C ATOM 797 OG SER A 152 5.519 -6.314 -14.466 1.00 0.00 O ATOM 0 H SER A 152 6.302 -4.992 -10.539 1.00 0.00 H new ATOM 0 HA SER A 152 6.730 -4.212 -13.316 1.00 0.00 H new ATOM 0 HB2 SER A 152 7.198 -6.652 -13.326 1.00 0.00 H new ATOM 0 HB3 SER A 152 5.673 -6.961 -12.519 1.00 0.00 H new ATOM 0 HG SER A 152 5.521 -7.229 -14.817 1.00 0.00 H new ATOM 803 N SER A 153 4.243 -3.753 -13.529 1.00 0.00 N ATOM 804 CA SER A 153 2.889 -3.211 -13.505 1.00 0.00 C ATOM 805 C SER A 153 1.949 -4.064 -14.351 1.00 0.00 C ATOM 806 O SER A 153 0.800 -3.690 -14.590 1.00 0.00 O ATOM 807 CB SER A 153 2.886 -1.769 -14.015 1.00 0.00 C ATOM 808 OG SER A 153 3.913 -1.562 -14.969 1.00 0.00 O ATOM 0 H SER A 153 4.732 -3.627 -14.415 1.00 0.00 H new ATOM 0 HA SER A 153 2.536 -3.225 -12.474 1.00 0.00 H new ATOM 0 HB2 SER A 153 1.919 -1.540 -14.462 1.00 0.00 H new ATOM 0 HB3 SER A 153 3.020 -1.084 -13.178 1.00 0.00 H new ATOM 0 HG SER A 153 4.689 -1.155 -14.531 1.00 0.00 H new ATOM 814 N SER A 154 2.445 -5.211 -14.803 1.00 0.00 N ATOM 815 CA SER A 154 1.651 -6.116 -15.626 1.00 0.00 C ATOM 816 C SER A 154 2.142 -7.554 -15.481 1.00 0.00 C ATOM 817 O SER A 154 2.903 -8.048 -16.313 1.00 0.00 O ATOM 818 CB SER A 154 1.711 -5.690 -17.094 1.00 0.00 C ATOM 819 OG SER A 154 3.027 -5.319 -17.464 1.00 0.00 O ATOM 0 H SER A 154 3.393 -5.536 -14.613 1.00 0.00 H new ATOM 0 HA SER A 154 0.617 -6.067 -15.283 1.00 0.00 H new ATOM 0 HB2 SER A 154 1.369 -6.508 -17.728 1.00 0.00 H new ATOM 0 HB3 SER A 154 1.033 -4.853 -17.261 1.00 0.00 H new ATOM 0 HG SER A 154 3.648 -6.040 -17.230 1.00 0.00 H new ATOM 825 N CYS A 155 1.700 -8.219 -14.419 1.00 0.00 N ATOM 826 CA CYS A 155 2.093 -9.600 -14.164 1.00 0.00 C ATOM 827 C CYS A 155 1.477 -10.541 -15.195 1.00 0.00 C ATOM 828 O CYS A 155 0.267 -10.766 -15.201 1.00 0.00 O ATOM 829 CB CYS A 155 1.669 -10.020 -12.755 1.00 0.00 C ATOM 830 SG CYS A 155 1.609 -11.823 -12.504 1.00 0.00 S ATOM 0 H CYS A 155 1.070 -7.824 -13.721 1.00 0.00 H new ATOM 0 HA CYS A 155 3.178 -9.664 -14.244 1.00 0.00 H new ATOM 0 HB2 CYS A 155 2.362 -9.586 -12.034 1.00 0.00 H new ATOM 0 HB3 CYS A 155 0.685 -9.601 -12.543 1.00 0.00 H new ATOM 1006 N ILE A 169 9.296 -16.742 -15.623 1.00 0.00 N ATOM 1007 CA ILE A 169 8.826 -15.446 -15.150 1.00 0.00 C ATOM 1008 C ILE A 169 7.756 -15.606 -14.076 1.00 0.00 C ATOM 1009 O ILE A 169 6.588 -15.851 -14.380 1.00 0.00 O ATOM 1010 CB ILE A 169 8.257 -14.599 -16.304 1.00 0.00 C ATOM 1011 CG1 ILE A 169 9.335 -14.346 -17.361 1.00 0.00 C ATOM 1012 CG2 ILE A 169 7.709 -13.282 -15.774 1.00 0.00 C ATOM 1013 CD1 ILE A 169 10.577 -13.683 -16.810 1.00 0.00 C ATOM 0 HA ILE A 169 9.689 -14.934 -14.725 1.00 0.00 H new ATOM 0 HB ILE A 169 7.440 -15.150 -16.770 1.00 0.00 H new ATOM 0 HG12 ILE A 169 9.613 -15.295 -17.820 1.00 0.00 H new ATOM 0 HG13 ILE A 169 8.919 -13.720 -18.150 1.00 0.00 H new ATOM 0 HG21 ILE A 169 7.311 -12.695 -16.601 1.00 0.00 H new ATOM 0 HG22 ILE A 169 6.915 -13.482 -15.055 1.00 0.00 H new ATOM 0 HG23 ILE A 169 8.509 -12.725 -15.286 1.00 0.00 H new ATOM 0 HD11 ILE A 169 11.297 -13.535 -17.614 1.00 0.00 H new ATOM 0 HD12 ILE A 169 10.313 -12.718 -16.377 1.00 0.00 H new ATOM 0 HD13 ILE A 169 11.017 -14.318 -16.041 1.00 0.00 H new ATOM 1025 N PHE A 170 8.162 -15.465 -12.819 1.00 0.00 N ATOM 1026 CA PHE A 170 7.238 -15.593 -11.698 1.00 0.00 C ATOM 1027 C PHE A 170 6.848 -14.221 -11.155 1.00 0.00 C ATOM 1028 O PHE A 170 7.684 -13.490 -10.625 1.00 0.00 O ATOM 1029 CB PHE A 170 7.866 -16.434 -10.585 1.00 0.00 C ATOM 1030 CG PHE A 170 7.586 -17.904 -10.714 1.00 0.00 C ATOM 1031 CD1 PHE A 170 8.362 -18.700 -11.542 1.00 0.00 C ATOM 1032 CD2 PHE A 170 6.548 -18.491 -10.008 1.00 0.00 C ATOM 1033 CE1 PHE A 170 8.107 -20.053 -11.663 1.00 0.00 C ATOM 1034 CE2 PHE A 170 6.288 -19.843 -10.126 1.00 0.00 C ATOM 1035 CZ PHE A 170 7.069 -20.625 -10.953 1.00 0.00 C ATOM 0 H PHE A 170 9.125 -15.262 -12.551 1.00 0.00 H new ATOM 0 HA PHE A 170 6.338 -16.092 -12.057 1.00 0.00 H new ATOM 0 HB2 PHE A 170 8.945 -16.276 -10.586 1.00 0.00 H new ATOM 0 HB3 PHE A 170 7.493 -16.084 -9.622 1.00 0.00 H new ATOM 0 HD1 PHE A 170 9.175 -18.258 -12.099 1.00 0.00 H new ATOM 0 HD2 PHE A 170 5.935 -17.885 -9.358 1.00 0.00 H new ATOM 0 HE1 PHE A 170 8.719 -20.662 -12.312 1.00 0.00 H new ATOM 0 HE2 PHE A 170 5.475 -20.287 -9.572 1.00 0.00 H new ATOM 0 HZ PHE A 170 6.869 -21.682 -11.045 1.00 0.00 H new ATOM 1045 N CYS A 171 5.571 -13.879 -11.293 1.00 0.00 N ATOM 1046 CA CYS A 171 5.068 -12.596 -10.818 1.00 0.00 C ATOM 1047 C CYS A 171 3.963 -12.793 -9.784 1.00 0.00 C ATOM 1048 O CYS A 171 3.406 -13.884 -9.655 1.00 0.00 O ATOM 1049 CB CYS A 171 4.541 -11.765 -11.991 1.00 0.00 C ATOM 1050 SG CYS A 171 3.328 -12.636 -13.033 1.00 0.00 S ATOM 0 H CYS A 171 4.866 -14.473 -11.730 1.00 0.00 H new ATOM 0 HA CYS A 171 5.893 -12.064 -10.345 1.00 0.00 H new ATOM 0 HB2 CYS A 171 4.083 -10.856 -11.601 1.00 0.00 H new ATOM 0 HB3 CYS A 171 5.383 -11.457 -12.612 1.00 0.00 H new ATOM 1055 N CYS A 172 3.650 -11.731 -9.050 1.00 0.00 N ATOM 1056 CA CYS A 172 2.613 -11.786 -8.027 1.00 0.00 C ATOM 1057 C CYS A 172 2.020 -10.402 -7.779 1.00 0.00 C ATOM 1058 O CYS A 172 2.266 -9.464 -8.538 1.00 0.00 O ATOM 1059 CB CYS A 172 3.182 -12.350 -6.724 1.00 0.00 C ATOM 1060 SG CYS A 172 4.350 -11.236 -5.879 1.00 0.00 S ATOM 0 H CYS A 172 4.100 -10.821 -9.145 1.00 0.00 H new ATOM 0 HA CYS A 172 1.820 -12.443 -8.384 1.00 0.00 H new ATOM 0 HB2 CYS A 172 2.358 -12.575 -6.048 1.00 0.00 H new ATOM 0 HB3 CYS A 172 3.686 -13.293 -6.938 1.00 0.00 H new ATOM 1065 N PHE A 173 1.237 -10.282 -6.712 1.00 0.00 N ATOM 1066 CA PHE A 173 0.607 -9.014 -6.364 1.00 0.00 C ATOM 1067 C PHE A 173 0.592 -8.812 -4.852 1.00 0.00 C ATOM 1068 O PHE A 173 -0.239 -8.074 -4.322 1.00 0.00 O ATOM 1069 CB PHE A 173 -0.820 -8.961 -6.912 1.00 0.00 C ATOM 1070 CG PHE A 173 -0.941 -9.470 -8.320 1.00 0.00 C ATOM 1071 CD1 PHE A 173 -1.097 -10.824 -8.570 1.00 0.00 C ATOM 1072 CD2 PHE A 173 -0.900 -8.595 -9.393 1.00 0.00 C ATOM 1073 CE1 PHE A 173 -1.208 -11.295 -9.864 1.00 0.00 C ATOM 1074 CE2 PHE A 173 -1.011 -9.060 -10.690 1.00 0.00 C ATOM 1075 CZ PHE A 173 -1.166 -10.412 -10.925 1.00 0.00 C ATOM 0 H PHE A 173 1.024 -11.048 -6.073 1.00 0.00 H new ATOM 0 HA PHE A 173 1.191 -8.211 -6.814 1.00 0.00 H new ATOM 0 HB2 PHE A 173 -1.471 -9.548 -6.265 1.00 0.00 H new ATOM 0 HB3 PHE A 173 -1.177 -7.932 -6.874 1.00 0.00 H new ATOM 0 HD1 PHE A 173 -1.132 -11.519 -7.744 1.00 0.00 H new ATOM 0 HD2 PHE A 173 -0.780 -7.537 -9.214 1.00 0.00 H new ATOM 0 HE1 PHE A 173 -1.328 -12.353 -10.046 1.00 0.00 H new ATOM 0 HE2 PHE A 173 -0.977 -8.367 -11.518 1.00 0.00 H new ATOM 0 HZ PHE A 173 -1.254 -10.778 -11.937 1.00 0.00 H new ATOM 1085 N ARG A 174 1.516 -9.473 -4.163 1.00 0.00 N ATOM 1086 CA ARG A 174 1.608 -9.368 -2.712 1.00 0.00 C ATOM 1087 C ARG A 174 3.047 -9.112 -2.275 1.00 0.00 C ATOM 1088 O ARG A 174 3.986 -9.680 -2.833 1.00 0.00 O ATOM 1089 CB ARG A 174 1.083 -10.645 -2.052 1.00 0.00 C ATOM 1090 CG ARG A 174 -0.422 -10.816 -2.168 1.00 0.00 C ATOM 1091 CD ARG A 174 -0.783 -12.058 -2.967 1.00 0.00 C ATOM 1092 NE ARG A 174 -2.217 -12.146 -3.226 1.00 0.00 N ATOM 1093 CZ ARG A 174 -2.813 -13.233 -3.704 1.00 0.00 C ATOM 1094 NH1 ARG A 174 -2.101 -14.318 -3.974 1.00 0.00 N ATOM 1095 NH2 ARG A 174 -4.123 -13.235 -3.913 1.00 0.00 N ATOM 0 H ARG A 174 2.212 -10.087 -4.586 1.00 0.00 H new ATOM 0 HA ARG A 174 0.995 -8.525 -2.395 1.00 0.00 H new ATOM 0 HB2 ARG A 174 1.574 -11.506 -2.505 1.00 0.00 H new ATOM 0 HB3 ARG A 174 1.359 -10.639 -0.998 1.00 0.00 H new ATOM 0 HG2 ARG A 174 -0.859 -10.883 -1.172 1.00 0.00 H new ATOM 0 HG3 ARG A 174 -0.853 -9.937 -2.646 1.00 0.00 H new ATOM 0 HD2 ARG A 174 -0.244 -12.049 -3.914 1.00 0.00 H new ATOM 0 HD3 ARG A 174 -0.458 -12.945 -2.424 1.00 0.00 H new ATOM 0 HE ARG A 174 -2.793 -11.328 -3.029 1.00 0.00 H new ATOM 0 HH11 ARG A 174 -1.093 -14.320 -3.815 1.00 0.00 H new ATOM 0 HH12 ARG A 174 -2.561 -15.151 -4.341 1.00 0.00 H new ATOM 0 HH21 ARG A 174 -4.674 -12.402 -3.707 1.00 0.00 H new ATOM 0 HH22 ARG A 174 -4.580 -14.070 -4.280 1.00 0.00 H new ATOM 1109 N ASP A 175 3.213 -8.252 -1.276 1.00 0.00 N ATOM 1110 CA ASP A 175 4.537 -7.920 -0.764 1.00 0.00 C ATOM 1111 C ASP A 175 5.281 -9.178 -0.325 1.00 0.00 C ATOM 1112 O ASP A 175 4.762 -9.980 0.453 1.00 0.00 O ATOM 1113 CB ASP A 175 4.425 -6.944 0.408 1.00 0.00 C ATOM 1114 CG ASP A 175 3.458 -5.811 0.127 1.00 0.00 C ATOM 1115 OD1 ASP A 175 2.235 -6.032 0.247 1.00 0.00 O ATOM 1116 OD2 ASP A 175 3.924 -4.703 -0.213 1.00 0.00 O ATOM 0 H ASP A 175 2.446 -7.772 -0.805 1.00 0.00 H new ATOM 0 HA ASP A 175 5.102 -7.447 -1.567 1.00 0.00 H new ATOM 0 HB2 ASP A 175 4.099 -7.484 1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 175 5.409 -6.531 0.629 1.00 0.00 H new ATOM 1121 N LEU A 176 6.498 -9.345 -0.829 1.00 0.00 N ATOM 1122 CA LEU A 176 7.314 -10.506 -0.490 1.00 0.00 C ATOM 1123 C LEU A 176 6.532 -11.800 -0.696 1.00 0.00 C ATOM 1124 O LEU A 176 6.707 -12.768 0.045 1.00 0.00 O ATOM 1125 CB LEU A 176 7.794 -10.412 0.959 1.00 0.00 C ATOM 1126 CG LEU A 176 8.126 -9.008 1.465 1.00 0.00 C ATOM 1127 CD1 LEU A 176 8.711 -9.071 2.868 1.00 0.00 C ATOM 1128 CD2 LEU A 176 9.090 -8.312 0.515 1.00 0.00 C ATOM 0 H LEU A 176 6.942 -8.691 -1.474 1.00 0.00 H new ATOM 0 HA LEU A 176 8.180 -10.516 -1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 176 7.025 -10.837 1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 176 8.681 -11.035 1.068 1.00 0.00 H new ATOM 0 HG LEU A 176 7.203 -8.429 1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 176 8.941 -8.063 3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 176 7.988 -9.528 3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 176 9.623 -9.667 2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 176 9.315 -7.314 0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 176 10.012 -8.889 0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.635 -8.233 -0.472 1.00 0.00 H new ATOM 1140 N CYS A 177 5.670 -11.810 -1.707 1.00 0.00 N ATOM 1141 CA CYS A 177 4.862 -12.985 -2.012 1.00 0.00 C ATOM 1142 C CYS A 177 5.720 -14.246 -2.026 1.00 0.00 C ATOM 1143 O CYS A 177 5.260 -15.326 -1.657 1.00 0.00 O ATOM 1144 CB CYS A 177 4.166 -12.813 -3.364 1.00 0.00 C ATOM 1145 SG CYS A 177 5.307 -12.576 -4.764 1.00 0.00 S ATOM 0 H CYS A 177 5.513 -11.017 -2.329 1.00 0.00 H new ATOM 0 HA CYS A 177 4.107 -13.089 -1.233 1.00 0.00 H new ATOM 0 HB2 CYS A 177 3.549 -13.690 -3.557 1.00 0.00 H new ATOM 0 HB3 CYS A 177 3.494 -11.957 -3.308 1.00 0.00 H new