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= -0.831 USER MOD Set 1.2: A 119 THR OG1 : rot 134:sc= 1.15 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 180:sc= 0.0834 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 -140:sc= 0 (180deg=-0.318) USER MOD Single : A 130 THR OG1 : rot 83:sc= -0.855 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 SER OG : rot 8:sc= 0.199 USER MOD Single : A 152 SER OG : rot 180:sc= 0.0576 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 SER OG : rot 53:sc= 0.00471 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 101 3.609 -1.196 -2.985 1.00 0.00 N ATOM 19 CA LEU A 101 4.018 -2.549 -3.347 1.00 0.00 C ATOM 20 C LEU A 101 5.487 -2.782 -3.011 1.00 0.00 C ATOM 21 O LEU A 101 6.363 -2.044 -3.463 1.00 0.00 O ATOM 22 CB LEU A 101 3.778 -2.794 -4.838 1.00 0.00 C ATOM 23 CG LEU A 101 3.406 -4.224 -5.232 1.00 0.00 C ATOM 24 CD1 LEU A 101 3.811 -4.504 -6.670 1.00 0.00 C ATOM 25 CD2 LEU A 101 4.059 -5.224 -4.288 1.00 0.00 C ATOM 0 HA LEU A 101 3.417 -3.251 -2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.982 -2.128 -5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.679 -2.511 -5.382 1.00 0.00 H new ATOM 0 HG LEU A 101 2.324 -4.332 -5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.538 -5.526 -6.932 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.297 -3.809 -7.335 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.888 -4.377 -6.776 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.783 -6.236 -4.583 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.142 -5.115 -4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.719 -5.038 -3.269 1.00 0.00 H new ATOM 37 N LYS A 102 5.751 -3.815 -2.218 1.00 0.00 N ATOM 38 CA LYS A 102 7.114 -4.149 -1.824 1.00 0.00 C ATOM 39 C LYS A 102 7.529 -5.502 -2.394 1.00 0.00 C ATOM 40 O LYS A 102 6.838 -6.504 -2.207 1.00 0.00 O ATOM 41 CB LYS A 102 7.236 -4.167 -0.298 1.00 0.00 C ATOM 42 CG LYS A 102 7.293 -2.783 0.324 1.00 0.00 C ATOM 43 CD LYS A 102 6.300 -2.643 1.465 1.00 0.00 C ATOM 44 CE LYS A 102 6.924 -3.033 2.797 1.00 0.00 C ATOM 45 NZ LYS A 102 5.912 -3.088 3.888 1.00 0.00 N ATOM 0 H LYS A 102 5.038 -4.436 -1.835 1.00 0.00 H new ATOM 0 HA LYS A 102 7.780 -3.385 -2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.388 -4.709 0.120 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.134 -4.718 -0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.301 -2.590 0.692 1.00 0.00 H new ATOM 0 HG3 LYS A 102 7.082 -2.032 -0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.945 -1.614 1.516 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.430 -3.271 1.271 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.408 -4.005 2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.701 -2.315 3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.376 -3.357 4.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.468 -2.154 3.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.184 -3.792 3.651 1.00 0.00 H new ATOM 59 N CYS A 103 8.662 -5.524 -3.088 1.00 0.00 N ATOM 60 CA CYS A 103 9.170 -6.754 -3.684 1.00 0.00 C ATOM 61 C CYS A 103 10.644 -6.954 -3.345 1.00 0.00 C ATOM 62 O CYS A 103 11.405 -5.991 -3.244 1.00 0.00 O ATOM 63 CB CYS A 103 8.984 -6.723 -5.203 1.00 0.00 C ATOM 64 SG CYS A 103 7.362 -6.091 -5.741 1.00 0.00 S ATOM 0 H CYS A 103 9.246 -4.704 -3.252 1.00 0.00 H new ATOM 0 HA CYS A 103 8.604 -7.589 -3.272 1.00 0.00 H new ATOM 0 HB2 CYS A 103 9.767 -6.104 -5.642 1.00 0.00 H new ATOM 0 HB3 CYS A 103 9.117 -7.731 -5.595 1.00 0.00 H new ATOM 69 N TYR A 104 11.040 -8.210 -3.172 1.00 0.00 N ATOM 70 CA TYR A 104 12.422 -8.537 -2.842 1.00 0.00 C ATOM 71 C TYR A 104 13.337 -8.306 -4.040 1.00 0.00 C ATOM 72 O TYR A 104 13.687 -9.241 -4.761 1.00 0.00 O ATOM 73 CB TYR A 104 12.527 -9.992 -2.379 1.00 0.00 C ATOM 74 CG TYR A 104 12.132 -10.197 -0.934 1.00 0.00 C ATOM 75 CD1 TYR A 104 12.908 -9.686 0.098 1.00 0.00 C ATOM 76 CD2 TYR A 104 10.982 -10.903 -0.602 1.00 0.00 C ATOM 77 CE1 TYR A 104 12.552 -9.872 1.420 1.00 0.00 C ATOM 78 CE2 TYR A 104 10.617 -11.093 0.717 1.00 0.00 C ATOM 79 CZ TYR A 104 11.405 -10.576 1.724 1.00 0.00 C ATOM 80 OH TYR A 104 11.045 -10.764 3.039 1.00 0.00 O ATOM 0 H TYR A 104 10.424 -9.018 -3.255 1.00 0.00 H new ATOM 0 HA TYR A 104 12.741 -7.881 -2.032 1.00 0.00 H new ATOM 0 HB2 TYR A 104 11.893 -10.613 -3.012 1.00 0.00 H new ATOM 0 HB3 TYR A 104 13.552 -10.336 -2.519 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.806 -9.133 -0.137 1.00 0.00 H new ATOM 0 HD2 TYR A 104 10.363 -11.310 -1.388 1.00 0.00 H new ATOM 0 HE1 TYR A 104 13.168 -9.469 2.210 1.00 0.00 H new ATOM 0 HE2 TYR A 104 9.720 -11.643 0.958 1.00 0.00 H new ATOM 0 HH TYR A 104 10.212 -11.279 3.080 1.00 0.00 H new ATOM 90 N THR A 105 13.724 -7.051 -4.248 1.00 0.00 N ATOM 91 CA THR A 105 14.598 -6.694 -5.358 1.00 0.00 C ATOM 92 C THR A 105 15.954 -6.211 -4.856 1.00 0.00 C ATOM 93 O THR A 105 16.035 -5.290 -4.043 1.00 0.00 O ATOM 94 CB THR A 105 13.969 -5.597 -6.238 1.00 0.00 C ATOM 95 OG1 THR A 105 14.173 -4.312 -5.640 1.00 0.00 O ATOM 96 CG2 THR A 105 12.480 -5.842 -6.427 1.00 0.00 C ATOM 0 H THR A 105 13.445 -6.265 -3.661 1.00 0.00 H new ATOM 0 HA THR A 105 14.734 -7.595 -5.956 1.00 0.00 H new ATOM 0 HB THR A 105 14.453 -5.624 -7.214 1.00 0.00 H new ATOM 0 HG1 THR A 105 13.772 -3.620 -6.206 1.00 0.00 H new ATOM 0 HG21 THR A 105 12.058 -5.055 -7.052 1.00 0.00 H new ATOM 0 HG22 THR A 105 12.328 -6.808 -6.909 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.985 -5.839 -5.456 1.00 0.00 H new ATOM 104 N CYS A 106 17.018 -6.839 -5.346 1.00 0.00 N ATOM 105 CA CYS A 106 18.372 -6.474 -4.948 1.00 0.00 C ATOM 106 C CYS A 106 18.876 -5.284 -5.760 1.00 0.00 C ATOM 107 O CYS A 106 18.406 -5.032 -6.870 1.00 0.00 O ATOM 108 CB CYS A 106 19.317 -7.664 -5.127 1.00 0.00 C ATOM 109 SG CYS A 106 19.300 -8.383 -6.801 1.00 0.00 S ATOM 0 H CYS A 106 16.968 -7.603 -6.020 1.00 0.00 H new ATOM 0 HA CYS A 106 18.350 -6.190 -3.896 1.00 0.00 H new ATOM 0 HB2 CYS A 106 20.332 -7.347 -4.890 1.00 0.00 H new ATOM 0 HB3 CYS A 106 19.049 -8.438 -4.408 1.00 0.00 H new ATOM 0 HG CYS A 106 20.132 -9.381 -6.853 1.00 0.00 H new ATOM 276 N ILE A 118 14.199 -6.084 0.686 1.00 0.00 N ATOM 277 CA ILE A 118 12.898 -5.430 0.614 1.00 0.00 C ATOM 278 C ILE A 118 13.007 -4.060 -0.048 1.00 0.00 C ATOM 279 O ILE A 118 13.568 -3.124 0.523 1.00 0.00 O ATOM 280 CB ILE A 118 12.275 -5.263 2.013 1.00 0.00 C ATOM 281 CG1 ILE A 118 12.115 -6.626 2.690 1.00 0.00 C ATOM 282 CG2 ILE A 118 10.932 -4.555 1.913 1.00 0.00 C ATOM 283 CD1 ILE A 118 11.513 -6.546 4.075 1.00 0.00 C ATOM 0 HA ILE A 118 12.255 -6.072 0.012 1.00 0.00 H new ATOM 0 HB ILE A 118 12.942 -4.652 2.621 1.00 0.00 H new ATOM 0 HG12 ILE A 118 11.487 -7.261 2.066 1.00 0.00 H new ATOM 0 HG13 ILE A 118 13.091 -7.108 2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.504 -4.444 2.909 1.00 0.00 H new ATOM 0 HG22 ILE A 118 11.072 -3.570 1.467 1.00 0.00 H new ATOM 0 HG23 ILE A 118 10.256 -5.142 1.291 1.00 0.00 H new ATOM 0 HD11 ILE A 118 11.429 -7.549 4.494 1.00 0.00 H new ATOM 0 HD12 ILE A 118 12.152 -5.938 4.715 1.00 0.00 H new ATOM 0 HD13 ILE A 118 10.523 -6.094 4.016 1.00 0.00 H new ATOM 295 N THR A 119 12.464 -3.949 -1.256 1.00 0.00 N ATOM 296 CA THR A 119 12.499 -2.694 -1.997 1.00 0.00 C ATOM 297 C THR A 119 11.091 -2.179 -2.272 1.00 0.00 C ATOM 298 O THR A 119 10.172 -2.959 -2.519 1.00 0.00 O ATOM 299 CB THR A 119 13.247 -2.852 -3.335 1.00 0.00 C ATOM 300 OG1 THR A 119 14.636 -3.101 -3.093 1.00 0.00 O ATOM 301 CG2 THR A 119 13.092 -1.605 -4.192 1.00 0.00 C ATOM 0 H THR A 119 11.995 -4.713 -1.742 1.00 0.00 H new ATOM 0 HA THR A 119 13.031 -1.974 -1.375 1.00 0.00 H new ATOM 0 HB THR A 119 12.815 -3.697 -3.870 1.00 0.00 H new ATOM 0 HG1 THR A 119 14.938 -3.844 -3.656 1.00 0.00 H new ATOM 0 HG21 THR A 119 13.628 -1.740 -5.131 1.00 0.00 H new ATOM 0 HG22 THR A 119 12.035 -1.435 -4.399 1.00 0.00 H new ATOM 0 HG23 THR A 119 13.501 -0.745 -3.661 1.00 0.00 H new ATOM 309 N ARG A 120 10.930 -0.860 -2.230 1.00 0.00 N ATOM 310 CA ARG A 120 9.633 -0.241 -2.475 1.00 0.00 C ATOM 311 C ARG A 120 9.445 0.060 -3.959 1.00 0.00 C ATOM 312 O ARG A 120 10.255 0.759 -4.569 1.00 0.00 O ATOM 313 CB ARG A 120 9.498 1.048 -1.661 1.00 0.00 C ATOM 314 CG ARG A 120 10.204 0.996 -0.317 1.00 0.00 C ATOM 315 CD ARG A 120 9.538 1.912 0.698 1.00 0.00 C ATOM 316 NE ARG A 120 10.279 1.966 1.956 1.00 0.00 N ATOM 317 CZ ARG A 120 9.855 2.620 3.031 1.00 0.00 C ATOM 318 NH1 ARG A 120 8.701 3.273 3.002 1.00 0.00 N ATOM 319 NH2 ARG A 120 10.585 2.623 4.139 1.00 0.00 N ATOM 0 H ARG A 120 11.681 -0.200 -2.029 1.00 0.00 H new ATOM 0 HA ARG A 120 8.859 -0.943 -2.164 1.00 0.00 H new ATOM 0 HB2 ARG A 120 9.901 1.878 -2.241 1.00 0.00 H new ATOM 0 HB3 ARG A 120 8.440 1.256 -1.499 1.00 0.00 H new ATOM 0 HG2 ARG A 120 10.200 -0.028 0.058 1.00 0.00 H new ATOM 0 HG3 ARG A 120 11.247 1.286 -0.441 1.00 0.00 H new ATOM 0 HD2 ARG A 120 9.457 2.916 0.282 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.523 1.564 0.890 1.00 0.00 H new ATOM 0 HE ARG A 120 11.171 1.474 2.012 1.00 0.00 H new ATOM 0 HH11 ARG A 120 8.137 3.274 2.152 1.00 0.00 H new ATOM 0 HH12 ARG A 120 8.378 3.774 3.829 1.00 0.00 H new ATOM 0 HH21 ARG A 120 11.473 2.122 4.166 1.00 0.00 H new ATOM 0 HH22 ARG A 120 10.258 3.126 4.964 1.00 0.00 H new ATOM 333 N CYS A 121 8.373 -0.474 -4.534 1.00 0.00 N ATOM 334 CA CYS A 121 8.079 -0.265 -5.947 1.00 0.00 C ATOM 335 C CYS A 121 7.414 1.091 -6.169 1.00 0.00 C ATOM 336 O CYS A 121 7.212 1.858 -5.227 1.00 0.00 O ATOM 337 CB CYS A 121 7.173 -1.381 -6.471 1.00 0.00 C ATOM 338 SG CYS A 121 7.953 -3.027 -6.482 1.00 0.00 S ATOM 0 H CYS A 121 7.693 -1.055 -4.043 1.00 0.00 H new ATOM 0 HA CYS A 121 9.021 -0.283 -6.495 1.00 0.00 H new ATOM 0 HB2 CYS A 121 6.272 -1.421 -5.858 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.858 -1.133 -7.485 1.00 0.00 H new ATOM 343 N LYS A 122 7.075 1.379 -7.421 1.00 0.00 N ATOM 344 CA LYS A 122 6.432 2.641 -7.769 1.00 0.00 C ATOM 345 C LYS A 122 4.937 2.589 -7.471 1.00 0.00 C ATOM 346 O LYS A 122 4.346 1.519 -7.320 1.00 0.00 O ATOM 347 CB LYS A 122 6.657 2.961 -9.248 1.00 0.00 C ATOM 348 CG LYS A 122 7.959 2.404 -9.800 1.00 0.00 C ATOM 349 CD LYS A 122 8.529 3.296 -10.889 1.00 0.00 C ATOM 350 CE LYS A 122 10.018 3.538 -10.688 1.00 0.00 C ATOM 351 NZ LYS A 122 10.409 4.926 -11.060 1.00 0.00 N ATOM 0 H LYS A 122 7.235 0.755 -8.212 1.00 0.00 H new ATOM 0 HA LYS A 122 6.879 3.428 -7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.825 2.561 -9.828 1.00 0.00 H new ATOM 0 HB3 LYS A 122 6.648 4.043 -9.382 1.00 0.00 H new ATOM 0 HG2 LYS A 122 8.685 2.305 -8.993 1.00 0.00 H new ATOM 0 HG3 LYS A 122 7.788 1.404 -10.200 1.00 0.00 H new ATOM 0 HD2 LYS A 122 8.362 2.835 -11.863 1.00 0.00 H new ATOM 0 HD3 LYS A 122 8.001 4.250 -10.893 1.00 0.00 H new ATOM 0 HE2 LYS A 122 10.278 3.354 -9.646 1.00 0.00 H new ATOM 0 HE3 LYS A 122 10.586 2.827 -11.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 11.430 5.051 -10.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 10.184 5.093 -12.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 9.886 5.604 -10.470 1.00 0.00 H new ATOM 365 N PRO A 123 4.308 3.771 -7.385 1.00 0.00 N ATOM 366 CA PRO A 123 2.874 3.886 -7.107 1.00 0.00 C ATOM 367 C PRO A 123 2.017 3.404 -8.273 1.00 0.00 C ATOM 368 O PRO A 123 0.898 2.931 -8.077 1.00 0.00 O ATOM 369 CB PRO A 123 2.676 5.387 -6.883 1.00 0.00 C ATOM 370 CG PRO A 123 3.786 6.033 -7.638 1.00 0.00 C ATOM 371 CD PRO A 123 4.950 5.085 -7.554 1.00 0.00 C ATOM 0 HA PRO A 123 2.572 3.271 -6.259 1.00 0.00 H new ATOM 0 HB2 PRO A 123 1.704 5.717 -7.249 1.00 0.00 H new ATOM 0 HB3 PRO A 123 2.719 5.638 -5.823 1.00 0.00 H new ATOM 0 HG2 PRO A 123 3.501 6.210 -8.675 1.00 0.00 H new ATOM 0 HG3 PRO A 123 4.039 7.001 -7.207 1.00 0.00 H new ATOM 0 HD2 PRO A 123 5.563 5.120 -8.455 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.603 5.324 -6.715 1.00 0.00 H new ATOM 379 N GLU A 124 2.550 3.528 -9.484 1.00 0.00 N ATOM 380 CA GLU A 124 1.832 3.105 -10.681 1.00 0.00 C ATOM 381 C GLU A 124 1.837 1.584 -10.809 1.00 0.00 C ATOM 382 O GLU A 124 0.913 0.995 -11.370 1.00 0.00 O ATOM 383 CB GLU A 124 2.458 3.734 -11.927 1.00 0.00 C ATOM 384 CG GLU A 124 2.927 5.164 -11.717 1.00 0.00 C ATOM 385 CD GLU A 124 1.843 6.055 -11.143 1.00 0.00 C ATOM 386 OE1 GLU A 124 0.652 5.768 -11.382 1.00 0.00 O ATOM 387 OE2 GLU A 124 2.186 7.040 -10.456 1.00 0.00 O ATOM 0 H GLU A 124 3.476 3.918 -9.662 1.00 0.00 H new ATOM 0 HA GLU A 124 0.799 3.442 -10.592 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.305 3.126 -12.244 1.00 0.00 H new ATOM 0 HB3 GLU A 124 1.730 3.715 -12.738 1.00 0.00 H new ATOM 0 HG2 GLU A 124 3.786 5.166 -11.047 1.00 0.00 H new ATOM 0 HG3 GLU A 124 3.264 5.575 -12.668 1.00 0.00 H new ATOM 394 N ASP A 125 2.883 0.956 -10.285 1.00 0.00 N ATOM 395 CA ASP A 125 3.009 -0.496 -10.339 1.00 0.00 C ATOM 396 C ASP A 125 2.176 -1.155 -9.244 1.00 0.00 C ATOM 397 O ASP A 125 1.933 -0.563 -8.192 1.00 0.00 O ATOM 398 CB ASP A 125 4.476 -0.908 -10.199 1.00 0.00 C ATOM 399 CG ASP A 125 5.196 -0.946 -11.533 1.00 0.00 C ATOM 400 OD1 ASP A 125 4.883 -0.105 -12.400 1.00 0.00 O ATOM 401 OD2 ASP A 125 6.073 -1.818 -11.709 1.00 0.00 O ATOM 0 H ASP A 125 3.656 1.429 -9.818 1.00 0.00 H new ATOM 0 HA ASP A 125 2.636 -0.832 -11.306 1.00 0.00 H new ATOM 0 HB2 ASP A 125 4.985 -0.210 -9.534 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.531 -1.891 -9.731 1.00 0.00 H new ATOM 406 N THR A 126 1.741 -2.385 -9.499 1.00 0.00 N ATOM 407 CA THR A 126 0.933 -3.124 -8.536 1.00 0.00 C ATOM 408 C THR A 126 1.227 -4.619 -8.605 1.00 0.00 C ATOM 409 O THR A 126 0.455 -5.436 -8.104 1.00 0.00 O ATOM 410 CB THR A 126 -0.572 -2.897 -8.774 1.00 0.00 C ATOM 411 OG1 THR A 126 -1.007 -3.646 -9.914 1.00 0.00 O ATOM 412 CG2 THR A 126 -0.869 -1.420 -8.988 1.00 0.00 C ATOM 0 H THR A 126 1.934 -2.890 -10.364 1.00 0.00 H new ATOM 0 HA THR A 126 1.197 -2.749 -7.547 1.00 0.00 H new ATOM 0 HB THR A 126 -1.112 -3.236 -7.890 1.00 0.00 H new ATOM 0 HG1 THR A 126 -1.965 -3.497 -10.057 1.00 0.00 H new ATOM 0 HG21 THR A 126 -1.938 -1.284 -9.154 1.00 0.00 H new ATOM 0 HG22 THR A 126 -0.564 -0.856 -8.106 1.00 0.00 H new ATOM 0 HG23 THR A 126 -0.318 -1.060 -9.857 1.00 0.00 H new ATOM 420 N ALA A 127 2.347 -4.969 -9.227 1.00 0.00 N ATOM 421 CA ALA A 127 2.744 -6.365 -9.359 1.00 0.00 C ATOM 422 C ALA A 127 4.262 -6.505 -9.384 1.00 0.00 C ATOM 423 O ALA A 127 4.973 -5.594 -9.812 1.00 0.00 O ATOM 424 CB ALA A 127 2.135 -6.971 -10.615 1.00 0.00 C ATOM 0 H ALA A 127 2.996 -4.304 -9.648 1.00 0.00 H new ATOM 0 HA ALA A 127 2.370 -6.906 -8.490 1.00 0.00 H new ATOM 0 HB1 ALA A 127 2.440 -8.014 -10.701 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.048 -6.915 -10.556 1.00 0.00 H new ATOM 0 HB3 ALA A 127 2.480 -6.419 -11.489 1.00 0.00 H new ATOM 430 N CYS A 128 4.754 -7.650 -8.923 1.00 0.00 N ATOM 431 CA CYS A 128 6.189 -7.909 -8.892 1.00 0.00 C ATOM 432 C CYS A 128 6.597 -8.845 -10.026 1.00 0.00 C ATOM 433 O CYS A 128 5.781 -9.610 -10.537 1.00 0.00 O ATOM 434 CB CYS A 128 6.590 -8.515 -7.546 1.00 0.00 C ATOM 435 SG CYS A 128 6.070 -7.531 -6.103 1.00 0.00 S ATOM 0 H CYS A 128 4.180 -8.414 -8.566 1.00 0.00 H new ATOM 0 HA CYS A 128 6.708 -6.959 -9.024 1.00 0.00 H new ATOM 0 HB2 CYS A 128 6.159 -9.513 -7.466 1.00 0.00 H new ATOM 0 HB3 CYS A 128 7.673 -8.633 -7.521 1.00 0.00 H new ATOM 440 N MET A 129 7.867 -8.778 -10.412 1.00 0.00 N ATOM 441 CA MET A 129 8.385 -9.621 -11.484 1.00 0.00 C ATOM 442 C MET A 129 9.694 -10.286 -11.069 1.00 0.00 C ATOM 443 O MET A 129 10.546 -9.661 -10.436 1.00 0.00 O ATOM 444 CB MET A 129 8.599 -8.795 -12.753 1.00 0.00 C ATOM 445 CG MET A 129 8.194 -9.520 -14.026 1.00 0.00 C ATOM 446 SD MET A 129 8.661 -8.620 -15.517 1.00 0.00 S ATOM 447 CE MET A 129 7.466 -9.261 -16.687 1.00 0.00 C ATOM 0 H MET A 129 8.556 -8.149 -9.999 1.00 0.00 H new ATOM 0 HA MET A 129 7.650 -10.401 -11.686 1.00 0.00 H new ATOM 0 HB2 MET A 129 8.029 -7.870 -12.675 1.00 0.00 H new ATOM 0 HB3 MET A 129 9.651 -8.516 -12.822 1.00 0.00 H new ATOM 0 HG2 MET A 129 8.658 -10.506 -14.041 1.00 0.00 H new ATOM 0 HG3 MET A 129 7.115 -9.676 -14.023 1.00 0.00 H new ATOM 0 HE1 MET A 129 7.950 -9.422 -17.650 1.00 0.00 H new ATOM 0 HE2 MET A 129 7.067 -10.206 -16.319 1.00 0.00 H new ATOM 0 HE3 MET A 129 6.652 -8.545 -16.805 1.00 0.00 H new ATOM 457 N THR A 130 9.848 -11.556 -11.429 1.00 0.00 N ATOM 458 CA THR A 130 11.052 -12.305 -11.093 1.00 0.00 C ATOM 459 C THR A 130 11.650 -12.967 -12.329 1.00 0.00 C ATOM 460 O THR A 130 10.929 -13.506 -13.169 1.00 0.00 O ATOM 461 CB THR A 130 10.764 -13.386 -10.034 1.00 0.00 C ATOM 462 OG1 THR A 130 10.047 -12.815 -8.934 1.00 0.00 O ATOM 463 CG2 THR A 130 12.057 -14.011 -9.533 1.00 0.00 C ATOM 0 H THR A 130 9.153 -12.088 -11.954 1.00 0.00 H new ATOM 0 HA THR A 130 11.766 -11.589 -10.686 1.00 0.00 H new ATOM 0 HB THR A 130 10.158 -14.165 -10.497 1.00 0.00 H new ATOM 0 HG1 THR A 130 9.091 -12.783 -9.148 1.00 0.00 H new ATOM 0 HG21 THR A 130 11.828 -14.771 -8.786 1.00 0.00 H new ATOM 0 HG22 THR A 130 12.587 -14.470 -10.368 1.00 0.00 H new ATOM 0 HG23 THR A 130 12.684 -13.240 -9.085 1.00 0.00 H new ATOM 471 N THR A 131 12.975 -12.925 -12.435 1.00 0.00 N ATOM 472 CA THR A 131 13.671 -13.521 -13.568 1.00 0.00 C ATOM 473 C THR A 131 14.589 -14.652 -13.118 1.00 0.00 C ATOM 474 O THR A 131 15.396 -14.482 -12.203 1.00 0.00 O ATOM 475 CB THR A 131 14.502 -12.473 -14.331 1.00 0.00 C ATOM 476 OG1 THR A 131 13.644 -11.456 -14.859 1.00 0.00 O ATOM 477 CG2 THR A 131 15.283 -13.122 -15.464 1.00 0.00 C ATOM 0 H THR A 131 13.587 -12.484 -11.749 1.00 0.00 H new ATOM 0 HA THR A 131 12.906 -13.922 -14.233 1.00 0.00 H new ATOM 0 HB THR A 131 15.209 -12.025 -13.633 1.00 0.00 H new ATOM 0 HG1 THR A 131 14.181 -10.793 -15.341 1.00 0.00 H new ATOM 0 HG21 THR A 131 15.862 -12.362 -15.989 1.00 0.00 H new ATOM 0 HG22 THR A 131 15.957 -13.875 -15.056 1.00 0.00 H new ATOM 0 HG23 THR A 131 14.590 -13.594 -16.160 1.00 0.00 H new ATOM 747 N ARG A 149 14.877 -9.849 -9.605 1.00 0.00 N ATOM 748 CA ARG A 149 13.500 -9.448 -9.346 1.00 0.00 C ATOM 749 C ARG A 149 13.333 -7.940 -9.513 1.00 0.00 C ATOM 750 O ARG A 149 14.171 -7.159 -9.064 1.00 0.00 O ATOM 751 CB ARG A 149 13.081 -9.865 -7.935 1.00 0.00 C ATOM 752 CG ARG A 149 11.604 -10.203 -7.814 1.00 0.00 C ATOM 753 CD ARG A 149 11.250 -10.653 -6.405 1.00 0.00 C ATOM 754 NE ARG A 149 10.758 -12.028 -6.377 1.00 0.00 N ATOM 755 CZ ARG A 149 11.552 -13.091 -6.306 1.00 0.00 C ATOM 756 NH1 ARG A 149 12.868 -12.938 -6.256 1.00 0.00 N ATOM 757 NH2 ARG A 149 11.030 -14.311 -6.285 1.00 0.00 N ATOM 0 HA ARG A 149 12.859 -9.950 -10.071 1.00 0.00 H new ATOM 0 HB2 ARG A 149 13.669 -10.731 -7.631 1.00 0.00 H new ATOM 0 HB3 ARG A 149 13.319 -9.059 -7.241 1.00 0.00 H new ATOM 0 HG2 ARG A 149 11.007 -9.331 -8.079 1.00 0.00 H new ATOM 0 HG3 ARG A 149 11.350 -10.991 -8.523 1.00 0.00 H new ATOM 0 HD2 ARG A 149 12.129 -10.570 -5.766 1.00 0.00 H new ATOM 0 HD3 ARG A 149 10.492 -9.988 -5.992 1.00 0.00 H new ATOM 0 HE ARG A 149 9.750 -12.180 -6.414 1.00 0.00 H new ATOM 0 HH11 ARG A 149 13.274 -12.002 -6.272 1.00 0.00 H new ATOM 0 HH12 ARG A 149 13.475 -13.756 -6.202 1.00 0.00 H new ATOM 0 HH21 ARG A 149 10.018 -14.433 -6.323 1.00 0.00 H new ATOM 0 HH22 ARG A 149 11.641 -15.126 -6.231 1.00 0.00 H new ATOM 771 N SER A 150 12.245 -7.539 -10.164 1.00 0.00 N ATOM 772 CA SER A 150 11.970 -6.126 -10.394 1.00 0.00 C ATOM 773 C SER A 150 10.468 -5.861 -10.411 1.00 0.00 C ATOM 774 O SER A 150 9.670 -6.758 -10.683 1.00 0.00 O ATOM 775 CB SER A 150 12.595 -5.671 -11.714 1.00 0.00 C ATOM 776 OG SER A 150 14.001 -5.540 -11.595 1.00 0.00 O ATOM 0 H SER A 150 11.540 -8.173 -10.541 1.00 0.00 H new ATOM 0 HA SER A 150 12.412 -5.557 -9.576 1.00 0.00 H new ATOM 0 HB2 SER A 150 12.359 -6.390 -12.498 1.00 0.00 H new ATOM 0 HB3 SER A 150 12.162 -4.717 -12.015 1.00 0.00 H new ATOM 0 HG SER A 150 14.289 -5.887 -10.725 1.00 0.00 H new ATOM 782 N CYS A 151 10.089 -4.621 -10.120 1.00 0.00 N ATOM 783 CA CYS A 151 8.683 -4.235 -10.101 1.00 0.00 C ATOM 784 C CYS A 151 8.100 -4.234 -11.511 1.00 0.00 C ATOM 785 O CYS A 151 8.818 -4.035 -12.491 1.00 0.00 O ATOM 786 CB CYS A 151 8.521 -2.851 -9.469 1.00 0.00 C ATOM 787 SG CYS A 151 9.459 -2.624 -7.924 1.00 0.00 S ATOM 0 H CYS A 151 10.736 -3.866 -9.894 1.00 0.00 H new ATOM 0 HA CYS A 151 8.139 -4.966 -9.503 1.00 0.00 H new ATOM 0 HB2 CYS A 151 8.838 -2.096 -10.188 1.00 0.00 H new ATOM 0 HB3 CYS A 151 7.464 -2.676 -9.269 1.00 0.00 H new ATOM 792 N SER A 152 6.793 -4.457 -11.605 1.00 0.00 N ATOM 793 CA SER A 152 6.113 -4.485 -12.895 1.00 0.00 C ATOM 794 C SER A 152 4.673 -4.001 -12.761 1.00 0.00 C ATOM 795 O SER A 152 4.049 -4.158 -11.712 1.00 0.00 O ATOM 796 CB SER A 152 6.136 -5.900 -13.476 1.00 0.00 C ATOM 797 OG SER A 152 5.434 -5.958 -14.706 1.00 0.00 O ATOM 0 H SER A 152 6.184 -4.621 -10.803 1.00 0.00 H new ATOM 0 HA SER A 152 6.642 -3.813 -13.571 1.00 0.00 H new ATOM 0 HB2 SER A 152 7.168 -6.218 -13.627 1.00 0.00 H new ATOM 0 HB3 SER A 152 5.689 -6.596 -12.766 1.00 0.00 H new ATOM 0 HG SER A 152 5.465 -6.872 -15.057 1.00 0.00 H new ATOM 803 N SER A 153 4.151 -3.411 -13.832 1.00 0.00 N ATOM 804 CA SER A 153 2.786 -2.899 -13.834 1.00 0.00 C ATOM 805 C SER A 153 1.858 -3.832 -14.606 1.00 0.00 C ATOM 806 O SER A 153 0.741 -3.458 -14.964 1.00 0.00 O ATOM 807 CB SER A 153 2.744 -1.498 -14.446 1.00 0.00 C ATOM 808 OG SER A 153 3.492 -1.445 -15.649 1.00 0.00 O ATOM 0 H SER A 153 4.653 -3.276 -14.709 1.00 0.00 H new ATOM 0 HA SER A 153 2.443 -2.846 -12.801 1.00 0.00 H new ATOM 0 HB2 SER A 153 1.710 -1.215 -14.644 1.00 0.00 H new ATOM 0 HB3 SER A 153 3.142 -0.775 -13.734 1.00 0.00 H new ATOM 0 HG SER A 153 3.448 -0.540 -16.022 1.00 0.00 H new ATOM 814 N SER A 154 2.329 -5.049 -14.860 1.00 0.00 N ATOM 815 CA SER A 154 1.544 -6.035 -15.593 1.00 0.00 C ATOM 816 C SER A 154 2.158 -7.425 -15.460 1.00 0.00 C ATOM 817 O SER A 154 3.030 -7.809 -16.240 1.00 0.00 O ATOM 818 CB SER A 154 1.448 -5.646 -17.069 1.00 0.00 C ATOM 819 OG SER A 154 2.677 -5.121 -17.539 1.00 0.00 O ATOM 0 H SER A 154 3.250 -5.376 -14.569 1.00 0.00 H new ATOM 0 HA SER A 154 0.542 -6.057 -15.165 1.00 0.00 H new ATOM 0 HB2 SER A 154 1.172 -6.518 -17.661 1.00 0.00 H new ATOM 0 HB3 SER A 154 0.658 -4.907 -17.203 1.00 0.00 H new ATOM 0 HG SER A 154 3.400 -5.752 -17.339 1.00 0.00 H new ATOM 825 N CYS A 155 1.696 -8.176 -14.466 1.00 0.00 N ATOM 826 CA CYS A 155 2.199 -9.524 -14.228 1.00 0.00 C ATOM 827 C CYS A 155 1.790 -10.464 -15.358 1.00 0.00 C ATOM 828 O CYS A 155 0.624 -10.841 -15.476 1.00 0.00 O ATOM 829 CB CYS A 155 1.676 -10.058 -12.892 1.00 0.00 C ATOM 830 SG CYS A 155 1.732 -11.872 -12.744 1.00 0.00 S ATOM 0 H CYS A 155 0.974 -7.874 -13.812 1.00 0.00 H new ATOM 0 HA CYS A 155 3.287 -9.478 -14.192 1.00 0.00 H new ATOM 0 HB2 CYS A 155 2.261 -9.620 -12.084 1.00 0.00 H new ATOM 0 HB3 CYS A 155 0.647 -9.725 -12.757 1.00 0.00 H new ATOM 1006 N ILE A 169 9.710 -16.570 -15.838 1.00 0.00 N ATOM 1007 CA ILE A 169 9.239 -15.323 -15.248 1.00 0.00 C ATOM 1008 C ILE A 169 8.172 -15.583 -14.191 1.00 0.00 C ATOM 1009 O ILE A 169 7.129 -16.173 -14.476 1.00 0.00 O ATOM 1010 CB ILE A 169 8.664 -14.376 -16.319 1.00 0.00 C ATOM 1011 CG1 ILE A 169 9.738 -14.024 -17.350 1.00 0.00 C ATOM 1012 CG2 ILE A 169 8.112 -13.116 -15.670 1.00 0.00 C ATOM 1013 CD1 ILE A 169 9.852 -15.032 -18.472 1.00 0.00 C ATOM 0 HA ILE A 169 10.102 -14.849 -14.780 1.00 0.00 H new ATOM 0 HB ILE A 169 7.848 -14.885 -16.832 1.00 0.00 H new ATOM 0 HG12 ILE A 169 9.516 -13.044 -17.774 1.00 0.00 H new ATOM 0 HG13 ILE A 169 10.701 -13.943 -16.846 1.00 0.00 H new ATOM 0 HG21 ILE A 169 7.709 -12.457 -16.439 1.00 0.00 H new ATOM 0 HG22 ILE A 169 7.320 -13.384 -14.971 1.00 0.00 H new ATOM 0 HG23 ILE A 169 8.911 -12.603 -15.134 1.00 0.00 H new ATOM 0 HD11 ILE A 169 10.633 -14.718 -19.165 1.00 0.00 H new ATOM 0 HD12 ILE A 169 10.104 -16.009 -18.059 1.00 0.00 H new ATOM 0 HD13 ILE A 169 8.901 -15.096 -19.001 1.00 0.00 H new ATOM 1025 N PHE A 170 8.438 -15.138 -12.967 1.00 0.00 N ATOM 1026 CA PHE A 170 7.501 -15.322 -11.866 1.00 0.00 C ATOM 1027 C PHE A 170 7.020 -13.976 -11.330 1.00 0.00 C ATOM 1028 O PHE A 170 7.797 -13.208 -10.762 1.00 0.00 O ATOM 1029 CB PHE A 170 8.154 -16.128 -10.741 1.00 0.00 C ATOM 1030 CG PHE A 170 7.960 -17.611 -10.875 1.00 0.00 C ATOM 1031 CD1 PHE A 170 8.409 -18.283 -12.000 1.00 0.00 C ATOM 1032 CD2 PHE A 170 7.327 -18.333 -9.876 1.00 0.00 C ATOM 1033 CE1 PHE A 170 8.232 -19.648 -12.127 1.00 0.00 C ATOM 1034 CE2 PHE A 170 7.148 -19.698 -9.997 1.00 0.00 C ATOM 1035 CZ PHE A 170 7.600 -20.356 -11.124 1.00 0.00 C ATOM 0 H PHE A 170 9.295 -14.647 -12.713 1.00 0.00 H new ATOM 0 HA PHE A 170 6.639 -15.872 -12.244 1.00 0.00 H new ATOM 0 HB2 PHE A 170 9.222 -15.910 -10.721 1.00 0.00 H new ATOM 0 HB3 PHE A 170 7.744 -15.801 -9.785 1.00 0.00 H new ATOM 0 HD1 PHE A 170 8.903 -17.734 -12.788 1.00 0.00 H new ATOM 0 HD2 PHE A 170 6.970 -17.824 -8.993 1.00 0.00 H new ATOM 0 HE1 PHE A 170 8.587 -20.160 -13.009 1.00 0.00 H new ATOM 0 HE2 PHE A 170 6.655 -20.250 -9.211 1.00 0.00 H new ATOM 0 HZ PHE A 170 7.459 -21.422 -11.221 1.00 0.00 H new ATOM 1045 N CYS A 171 5.734 -13.697 -11.515 1.00 0.00 N ATOM 1046 CA CYS A 171 5.149 -12.445 -11.052 1.00 0.00 C ATOM 1047 C CYS A 171 3.998 -12.708 -10.085 1.00 0.00 C ATOM 1048 O CYS A 171 3.462 -13.815 -10.026 1.00 0.00 O ATOM 1049 CB CYS A 171 4.652 -11.620 -12.241 1.00 0.00 C ATOM 1050 SG CYS A 171 3.513 -12.517 -13.345 1.00 0.00 S ATOM 0 H CYS A 171 5.077 -14.322 -11.983 1.00 0.00 H new ATOM 0 HA CYS A 171 5.922 -11.884 -10.526 1.00 0.00 H new ATOM 0 HB2 CYS A 171 4.150 -10.728 -11.866 1.00 0.00 H new ATOM 0 HB3 CYS A 171 5.512 -11.283 -12.820 1.00 0.00 H new ATOM 1055 N CYS A 172 3.622 -11.682 -9.329 1.00 0.00 N ATOM 1056 CA CYS A 172 2.536 -11.800 -8.364 1.00 0.00 C ATOM 1057 C CYS A 172 1.866 -10.448 -8.131 1.00 0.00 C ATOM 1058 O CYS A 172 2.198 -9.458 -8.783 1.00 0.00 O ATOM 1059 CB CYS A 172 3.060 -12.357 -7.039 1.00 0.00 C ATOM 1060 SG CYS A 172 4.634 -11.619 -6.494 1.00 0.00 S ATOM 0 H CYS A 172 4.054 -10.759 -9.366 1.00 0.00 H new ATOM 0 HA CYS A 172 1.795 -12.488 -8.771 1.00 0.00 H new ATOM 0 HB2 CYS A 172 2.308 -12.195 -6.266 1.00 0.00 H new ATOM 0 HB3 CYS A 172 3.191 -13.435 -7.136 1.00 0.00 H new ATOM 1065 N PHE A 173 0.923 -10.415 -7.196 1.00 0.00 N ATOM 1066 CA PHE A 173 0.206 -9.186 -6.876 1.00 0.00 C ATOM 1067 C PHE A 173 0.146 -8.968 -5.367 1.00 0.00 C ATOM 1068 O PHE A 173 -0.830 -8.431 -4.845 1.00 0.00 O ATOM 1069 CB PHE A 173 -1.211 -9.233 -7.452 1.00 0.00 C ATOM 1070 CG PHE A 173 -1.264 -8.985 -8.932 1.00 0.00 C ATOM 1071 CD1 PHE A 173 -1.253 -7.693 -9.433 1.00 0.00 C ATOM 1072 CD2 PHE A 173 -1.326 -10.044 -9.824 1.00 0.00 C ATOM 1073 CE1 PHE A 173 -1.303 -7.463 -10.795 1.00 0.00 C ATOM 1074 CE2 PHE A 173 -1.376 -9.820 -11.187 1.00 0.00 C ATOM 1075 CZ PHE A 173 -1.363 -8.527 -11.673 1.00 0.00 C ATOM 0 H PHE A 173 0.637 -11.225 -6.646 1.00 0.00 H new ATOM 0 HA PHE A 173 0.746 -8.352 -7.325 1.00 0.00 H new ATOM 0 HB2 PHE A 173 -1.649 -10.208 -7.239 1.00 0.00 H new ATOM 0 HB3 PHE A 173 -1.826 -8.490 -6.945 1.00 0.00 H new ATOM 0 HD1 PHE A 173 -1.205 -6.856 -8.752 1.00 0.00 H new ATOM 0 HD2 PHE A 173 -1.335 -11.057 -9.449 1.00 0.00 H new ATOM 0 HE1 PHE A 173 -1.295 -6.451 -11.172 1.00 0.00 H new ATOM 0 HE2 PHE A 173 -1.425 -10.654 -11.871 1.00 0.00 H new ATOM 0 HZ PHE A 173 -1.400 -8.349 -12.738 1.00 0.00 H new ATOM 1085 N ARG A 174 1.198 -9.389 -4.672 1.00 0.00 N ATOM 1086 CA ARG A 174 1.266 -9.242 -3.223 1.00 0.00 C ATOM 1087 C ARG A 174 2.678 -8.870 -2.780 1.00 0.00 C ATOM 1088 O ARG A 174 3.662 -9.384 -3.312 1.00 0.00 O ATOM 1089 CB ARG A 174 0.829 -10.538 -2.537 1.00 0.00 C ATOM 1090 CG ARG A 174 -0.668 -10.790 -2.607 1.00 0.00 C ATOM 1091 CD ARG A 174 -0.974 -12.249 -2.907 1.00 0.00 C ATOM 1092 NE ARG A 174 -2.379 -12.454 -3.248 1.00 0.00 N ATOM 1093 CZ ARG A 174 -2.911 -13.648 -3.486 1.00 0.00 C ATOM 1094 NH1 ARG A 174 -2.158 -14.738 -3.421 1.00 0.00 N ATOM 1095 NH2 ARG A 174 -4.198 -13.754 -3.791 1.00 0.00 N ATOM 0 H ARG A 174 2.015 -9.835 -5.089 1.00 0.00 H new ATOM 0 HA ARG A 174 0.589 -8.439 -2.932 1.00 0.00 H new ATOM 0 HB2 ARG A 174 1.352 -11.377 -2.997 1.00 0.00 H new ATOM 0 HB3 ARG A 174 1.135 -10.507 -1.491 1.00 0.00 H new ATOM 0 HG2 ARG A 174 -1.130 -10.507 -1.661 1.00 0.00 H new ATOM 0 HG3 ARG A 174 -1.109 -10.159 -3.379 1.00 0.00 H new ATOM 0 HD2 ARG A 174 -0.347 -12.589 -3.732 1.00 0.00 H new ATOM 0 HD3 ARG A 174 -0.719 -12.859 -2.040 1.00 0.00 H new ATOM 0 HE ARG A 174 -2.985 -11.636 -3.307 1.00 0.00 H new ATOM 0 HH11 ARG A 174 -1.168 -14.661 -3.188 1.00 0.00 H new ATOM 0 HH12 ARG A 174 -2.569 -15.653 -3.604 1.00 0.00 H new ATOM 0 HH21 ARG A 174 -4.780 -12.918 -3.843 1.00 0.00 H new ATOM 0 HH22 ARG A 174 -4.605 -14.671 -3.973 1.00 0.00 H new ATOM 1109 N ASP A 175 2.768 -7.973 -1.804 1.00 0.00 N ATOM 1110 CA ASP A 175 4.059 -7.532 -1.289 1.00 0.00 C ATOM 1111 C ASP A 175 4.850 -8.708 -0.724 1.00 0.00 C ATOM 1112 O ASP A 175 4.390 -9.399 0.187 1.00 0.00 O ATOM 1113 CB ASP A 175 3.864 -6.467 -0.209 1.00 0.00 C ATOM 1114 CG ASP A 175 3.003 -5.312 -0.683 1.00 0.00 C ATOM 1115 OD1 ASP A 175 1.827 -5.552 -1.028 1.00 0.00 O ATOM 1116 OD2 ASP A 175 3.506 -4.169 -0.710 1.00 0.00 O ATOM 0 H ASP A 175 1.963 -7.537 -1.354 1.00 0.00 H new ATOM 0 HA ASP A 175 4.624 -7.101 -2.116 1.00 0.00 H new ATOM 0 HB2 ASP A 175 3.404 -6.923 0.668 1.00 0.00 H new ATOM 0 HB3 ASP A 175 4.837 -6.087 0.102 1.00 0.00 H new ATOM 1121 N LEU A 176 6.040 -8.931 -1.270 1.00 0.00 N ATOM 1122 CA LEU A 176 6.895 -10.024 -0.821 1.00 0.00 C ATOM 1123 C LEU A 176 6.190 -11.368 -0.982 1.00 0.00 C ATOM 1124 O LEU A 176 6.350 -12.267 -0.156 1.00 0.00 O ATOM 1125 CB LEU A 176 7.296 -9.817 0.640 1.00 0.00 C ATOM 1126 CG LEU A 176 7.777 -8.415 1.012 1.00 0.00 C ATOM 1127 CD1 LEU A 176 8.343 -8.401 2.423 1.00 0.00 C ATOM 1128 CD2 LEU A 176 8.817 -7.926 0.014 1.00 0.00 C ATOM 0 H LEU A 176 6.435 -8.369 -2.024 1.00 0.00 H new ATOM 0 HA LEU A 176 7.792 -10.029 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 176 6.441 -10.065 1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 176 8.087 -10.527 0.883 1.00 0.00 H new ATOM 0 HG LEU A 176 6.923 -7.738 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 176 8.680 -7.394 2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 176 7.570 -8.708 3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 176 9.185 -9.091 2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 176 9.148 -6.926 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 176 9.670 -8.605 0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.378 -7.897 -0.983 1.00 0.00 H new ATOM 1140 N CYS A 177 5.411 -11.497 -2.051 1.00 0.00 N ATOM 1141 CA CYS A 177 4.683 -12.731 -2.322 1.00 0.00 C ATOM 1142 C CYS A 177 5.615 -13.938 -2.260 1.00 0.00 C ATOM 1143 O CYS A 177 5.179 -15.059 -2.002 1.00 0.00 O ATOM 1144 CB CYS A 177 4.013 -12.661 -3.695 1.00 0.00 C ATOM 1145 SG CYS A 177 5.106 -13.112 -5.080 1.00 0.00 S ATOM 0 H CYS A 177 5.268 -10.762 -2.744 1.00 0.00 H new ATOM 0 HA CYS A 177 3.916 -12.846 -1.556 1.00 0.00 H new ATOM 0 HB2 CYS A 177 3.147 -13.323 -3.699 1.00 0.00 H new ATOM 0 HB3 CYS A 177 3.641 -11.649 -3.855 1.00 0.00 H new