USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 311 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 131 THR OG1 : rot 77:sc= 0.179 USER MOD Set 1.2: A 148 THR OG1 : rot -42:sc= 0.231 USER MOD Set 2.1: A 105 THR OG1 : rot 170:sc= -0.761 USER MOD Set 2.2: A 119 THR OG1 : rot 144:sc= 0.734 USER MOD Single : A 100 MET CE :methyl -177:sc= 0 (180deg=-0.00721) 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= 0.0847 USER MOD Single : A 117 THR OG1 : rot 29:sc= 0.338 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.0183 USER MOD Single : A 129 MET CE :methyl 150:sc= 0 (180deg=-0.0618) USER MOD Single : A 130 THR OG1 : rot 150:sc= 0.165 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 152 SER OG : rot 173:sc= -0.0315 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 SER OG : rot 50:sc= 0.0128 USER MOD Single : A 178 ASN : amide:sc= -0.96 K(o=-0.96,f=-8.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 1.047 -1.241 -0.153 1.00 0.00 N ATOM 2 CA MET A 100 1.803 -1.302 -1.399 1.00 0.00 C ATOM 3 C MET A 100 3.213 -1.831 -1.154 1.00 0.00 C ATOM 4 O MET A 100 3.771 -1.660 -0.070 1.00 0.00 O ATOM 5 CB MET A 100 1.871 0.081 -2.049 1.00 0.00 C ATOM 6 CG MET A 100 2.234 0.042 -3.524 1.00 0.00 C ATOM 7 SD MET A 100 0.907 -0.619 -4.550 1.00 0.00 S ATOM 8 CE MET A 100 0.369 0.860 -5.404 1.00 0.00 C ATOM 0 HA MET A 100 1.288 -1.987 -2.073 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.906 0.575 -1.934 1.00 0.00 H new ATOM 0 HB3 MET A 100 2.605 0.687 -1.518 1.00 0.00 H new ATOM 0 HG2 MET A 100 2.480 1.049 -3.860 1.00 0.00 H new ATOM 0 HG3 MET A 100 3.129 -0.566 -3.658 1.00 0.00 H new ATOM 0 HE1 MET A 100 -0.485 0.623 -6.038 1.00 0.00 H new ATOM 0 HE2 MET A 100 0.081 1.617 -4.675 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.184 1.241 -6.020 1.00 0.00 H new ATOM 18 N LEU A 101 3.783 -2.474 -2.167 1.00 0.00 N ATOM 19 CA LEU A 101 5.128 -3.029 -2.062 1.00 0.00 C ATOM 20 C LEU A 101 6.174 -1.919 -2.046 1.00 0.00 C ATOM 21 O LEU A 101 6.231 -1.091 -2.955 1.00 0.00 O ATOM 22 CB LEU A 101 5.400 -3.985 -3.224 1.00 0.00 C ATOM 23 CG LEU A 101 6.323 -5.165 -2.921 1.00 0.00 C ATOM 24 CD1 LEU A 101 6.995 -5.658 -4.193 1.00 0.00 C ATOM 25 CD2 LEU A 101 7.365 -4.774 -1.883 1.00 0.00 C ATOM 0 H LEU A 101 3.335 -2.624 -3.071 1.00 0.00 H new ATOM 0 HA LEU A 101 5.195 -3.580 -1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.446 -4.377 -3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.832 -3.413 -4.045 1.00 0.00 H new ATOM 0 HG LEU A 101 5.721 -5.977 -2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.648 -6.498 -3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.235 -5.978 -4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.584 -4.852 -4.629 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.013 -5.626 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.963 -3.945 -2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.866 -4.470 -0.963 1.00 0.00 H new ATOM 37 N LYS A 102 7.004 -1.910 -1.007 1.00 0.00 N ATOM 38 CA LYS A 102 8.052 -0.905 -0.873 1.00 0.00 C ATOM 39 C LYS A 102 9.432 -1.553 -0.889 1.00 0.00 C ATOM 40 O LYS A 102 9.697 -2.491 -0.136 1.00 0.00 O ATOM 41 CB LYS A 102 7.864 -0.112 0.422 1.00 0.00 C ATOM 42 CG LYS A 102 6.797 0.966 0.326 1.00 0.00 C ATOM 43 CD LYS A 102 7.213 2.229 1.061 1.00 0.00 C ATOM 44 CE LYS A 102 6.012 3.097 1.401 1.00 0.00 C ATOM 45 NZ LYS A 102 5.707 3.076 2.858 1.00 0.00 N ATOM 0 H LYS A 102 6.971 -2.588 -0.246 1.00 0.00 H new ATOM 0 HA LYS A 102 7.979 -0.225 -1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.602 -0.801 1.225 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.812 0.350 0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.607 1.199 -0.722 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.862 0.592 0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.741 1.961 1.976 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.911 2.797 0.445 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.204 4.122 1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.143 2.749 0.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.882 3.680 3.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.499 2.101 3.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.527 3.432 3.389 1.00 0.00 H new ATOM 59 N CYS A 103 10.309 -1.047 -1.750 1.00 0.00 N ATOM 60 CA CYS A 103 11.663 -1.576 -1.863 1.00 0.00 C ATOM 61 C CYS A 103 12.691 -0.448 -1.838 1.00 0.00 C ATOM 62 O CYS A 103 12.436 0.649 -2.336 1.00 0.00 O ATOM 63 CB CYS A 103 11.810 -2.387 -3.152 1.00 0.00 C ATOM 64 SG CYS A 103 10.385 -3.459 -3.522 1.00 0.00 S ATOM 0 H CYS A 103 10.106 -0.271 -2.380 1.00 0.00 H new ATOM 0 HA CYS A 103 11.844 -2.228 -1.009 1.00 0.00 H new ATOM 0 HB2 CYS A 103 11.961 -1.701 -3.985 1.00 0.00 H new ATOM 0 HB3 CYS A 103 12.706 -3.004 -3.081 1.00 0.00 H new ATOM 69 N TYR A 104 13.852 -0.726 -1.257 1.00 0.00 N ATOM 70 CA TYR A 104 14.918 0.264 -1.165 1.00 0.00 C ATOM 71 C TYR A 104 15.525 0.540 -2.537 1.00 0.00 C ATOM 72 O TYR A 104 16.513 -0.081 -2.929 1.00 0.00 O ATOM 73 CB TYR A 104 16.005 -0.213 -0.200 1.00 0.00 C ATOM 74 CG TYR A 104 15.679 0.042 1.254 1.00 0.00 C ATOM 75 CD1 TYR A 104 15.684 1.332 1.772 1.00 0.00 C ATOM 76 CD2 TYR A 104 15.364 -1.006 2.110 1.00 0.00 C ATOM 77 CE1 TYR A 104 15.388 1.569 3.100 1.00 0.00 C ATOM 78 CE2 TYR A 104 15.065 -0.778 3.439 1.00 0.00 C ATOM 79 CZ TYR A 104 15.079 0.512 3.929 1.00 0.00 C ATOM 80 OH TYR A 104 14.781 0.744 5.253 1.00 0.00 O ATOM 0 H TYR A 104 14.079 -1.630 -0.842 1.00 0.00 H new ATOM 0 HA TYR A 104 14.487 1.190 -0.786 1.00 0.00 H new ATOM 0 HB2 TYR A 104 16.165 -1.281 -0.346 1.00 0.00 H new ATOM 0 HB3 TYR A 104 16.942 0.286 -0.446 1.00 0.00 H new ATOM 0 HD1 TYR A 104 15.923 2.163 1.125 1.00 0.00 H new ATOM 0 HD2 TYR A 104 15.353 -2.017 1.730 1.00 0.00 H new ATOM 0 HE1 TYR A 104 15.399 2.577 3.487 1.00 0.00 H new ATOM 0 HE2 TYR A 104 14.822 -1.604 4.091 1.00 0.00 H new ATOM 0 HH TYR A 104 14.585 -0.107 5.698 1.00 0.00 H new ATOM 90 N THR A 105 14.926 1.478 -3.264 1.00 0.00 N ATOM 91 CA THR A 105 15.405 1.838 -4.593 1.00 0.00 C ATOM 92 C THR A 105 15.832 3.300 -4.646 1.00 0.00 C ATOM 93 O THR A 105 15.051 4.197 -4.329 1.00 0.00 O ATOM 94 CB THR A 105 14.328 1.589 -5.665 1.00 0.00 C ATOM 95 OG1 THR A 105 13.388 2.669 -5.674 1.00 0.00 O ATOM 96 CG2 THR A 105 13.600 0.279 -5.407 1.00 0.00 C ATOM 0 H THR A 105 14.108 2.002 -2.955 1.00 0.00 H new ATOM 0 HA THR A 105 16.267 1.204 -4.801 1.00 0.00 H new ATOM 0 HB THR A 105 14.820 1.527 -6.636 1.00 0.00 H new ATOM 0 HG1 THR A 105 12.804 2.588 -6.457 1.00 0.00 H new ATOM 0 HG21 THR A 105 12.844 0.125 -6.177 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.314 -0.544 -5.429 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.119 0.316 -4.429 1.00 0.00 H new ATOM 104 N CYS A 106 17.076 3.534 -5.051 1.00 0.00 N ATOM 105 CA CYS A 106 17.607 4.889 -5.147 1.00 0.00 C ATOM 106 C CYS A 106 17.216 5.534 -6.473 1.00 0.00 C ATOM 107 O CYS A 106 16.657 4.880 -7.354 1.00 0.00 O ATOM 108 CB CYS A 106 19.130 4.873 -5.005 1.00 0.00 C ATOM 109 SG CYS A 106 19.974 3.754 -6.169 1.00 0.00 S ATOM 0 H CYS A 106 17.735 2.803 -5.318 1.00 0.00 H new ATOM 0 HA CYS A 106 17.179 5.479 -4.336 1.00 0.00 H new ATOM 0 HB2 CYS A 106 19.508 5.885 -5.151 1.00 0.00 H new ATOM 0 HB3 CYS A 106 19.386 4.581 -3.987 1.00 0.00 H new ATOM 0 HG CYS A 106 21.258 3.812 -5.973 1.00 0.00 H new ATOM 262 N THR A 117 16.798 3.889 -0.957 1.00 0.00 N ATOM 263 CA THR A 117 15.766 4.748 -0.390 1.00 0.00 C ATOM 264 C THR A 117 14.395 4.086 -0.466 1.00 0.00 C ATOM 265 O THR A 117 14.127 3.296 -1.372 1.00 0.00 O ATOM 266 CB THR A 117 15.708 6.108 -1.111 1.00 0.00 C ATOM 267 OG1 THR A 117 17.034 6.572 -1.388 1.00 0.00 O ATOM 268 CG2 THR A 117 14.971 7.137 -0.268 1.00 0.00 C ATOM 0 HA THR A 117 16.030 4.910 0.655 1.00 0.00 H new ATOM 0 HB THR A 117 15.167 5.975 -2.048 1.00 0.00 H new ATOM 0 HG1 THR A 117 17.633 5.804 -1.499 1.00 0.00 H new ATOM 0 HG21 THR A 117 14.943 8.089 -0.798 1.00 0.00 H new ATOM 0 HG22 THR A 117 13.953 6.794 -0.084 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.488 7.266 0.683 1.00 0.00 H new ATOM 276 N ILE A 118 13.531 4.413 0.488 1.00 0.00 N ATOM 277 CA ILE A 118 12.187 3.851 0.527 1.00 0.00 C ATOM 278 C ILE A 118 11.353 4.338 -0.653 1.00 0.00 C ATOM 279 O ILE A 118 10.911 5.487 -0.684 1.00 0.00 O ATOM 280 CB ILE A 118 11.463 4.213 1.837 1.00 0.00 C ATOM 281 CG1 ILE A 118 12.239 3.673 3.040 1.00 0.00 C ATOM 282 CG2 ILE A 118 10.043 3.665 1.826 1.00 0.00 C ATOM 283 CD1 ILE A 118 11.549 3.919 4.364 1.00 0.00 C ATOM 0 H ILE A 118 13.738 5.065 1.245 1.00 0.00 H new ATOM 0 HA ILE A 118 12.296 2.768 0.469 1.00 0.00 H new ATOM 0 HB ILE A 118 11.412 5.299 1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 118 12.391 2.601 2.912 1.00 0.00 H new ATOM 0 HG13 ILE A 118 13.226 4.135 3.063 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.544 3.929 2.758 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.494 4.093 0.987 1.00 0.00 H new ATOM 0 HG23 ILE A 118 10.072 2.580 1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 118 12.156 3.510 5.172 1.00 0.00 H new ATOM 0 HD12 ILE A 118 11.421 4.991 4.514 1.00 0.00 H new ATOM 0 HD13 ILE A 118 10.573 3.434 4.361 1.00 0.00 H new ATOM 295 N THR A 119 11.139 3.455 -1.624 1.00 0.00 N ATOM 296 CA THR A 119 10.358 3.795 -2.807 1.00 0.00 C ATOM 297 C THR A 119 9.146 2.880 -2.946 1.00 0.00 C ATOM 298 O THR A 119 9.208 1.697 -2.611 1.00 0.00 O ATOM 299 CB THR A 119 11.208 3.701 -4.088 1.00 0.00 C ATOM 300 OG1 THR A 119 12.209 4.725 -4.088 1.00 0.00 O ATOM 301 CG2 THR A 119 10.336 3.837 -5.327 1.00 0.00 C ATOM 0 H THR A 119 11.496 2.499 -1.614 1.00 0.00 H new ATOM 0 HA THR A 119 10.021 4.824 -2.679 1.00 0.00 H new ATOM 0 HB THR A 119 11.689 2.723 -4.107 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.033 4.377 -4.489 1.00 0.00 H new ATOM 0 HG21 THR A 119 10.958 3.768 -6.219 1.00 0.00 H new ATOM 0 HG22 THR A 119 9.594 3.039 -5.339 1.00 0.00 H new ATOM 0 HG23 THR A 119 9.830 4.802 -5.312 1.00 0.00 H new ATOM 309 N ARG A 120 8.046 3.434 -3.443 1.00 0.00 N ATOM 310 CA ARG A 120 6.820 2.668 -3.627 1.00 0.00 C ATOM 311 C ARG A 120 6.793 2.004 -5.000 1.00 0.00 C ATOM 312 O ARG A 120 6.925 2.672 -6.027 1.00 0.00 O ATOM 313 CB ARG A 120 5.597 3.573 -3.462 1.00 0.00 C ATOM 314 CG ARG A 120 5.768 4.637 -2.390 1.00 0.00 C ATOM 315 CD ARG A 120 4.430 5.226 -1.972 1.00 0.00 C ATOM 316 NE ARG A 120 4.402 6.679 -2.116 1.00 0.00 N ATOM 317 CZ ARG A 120 4.242 7.299 -3.280 1.00 0.00 C ATOM 318 NH1 ARG A 120 4.097 6.596 -4.395 1.00 0.00 N ATOM 319 NH2 ARG A 120 4.228 8.625 -3.331 1.00 0.00 N ATOM 0 H ARG A 120 7.979 4.412 -3.726 1.00 0.00 H new ATOM 0 HA ARG A 120 6.792 1.889 -2.866 1.00 0.00 H new ATOM 0 HB2 ARG A 120 5.384 4.059 -4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.731 2.958 -3.217 1.00 0.00 H new ATOM 0 HG2 ARG A 120 6.263 4.204 -1.521 1.00 0.00 H new ATOM 0 HG3 ARG A 120 6.415 5.430 -2.763 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.636 4.787 -2.576 1.00 0.00 H new ATOM 0 HD3 ARG A 120 4.225 4.961 -0.935 1.00 0.00 H new ATOM 0 HE ARG A 120 4.511 7.249 -1.277 1.00 0.00 H new ATOM 0 HH11 ARG A 120 4.108 5.577 -4.360 1.00 0.00 H new ATOM 0 HH12 ARG A 120 3.974 7.075 -5.287 1.00 0.00 H new ATOM 0 HH21 ARG A 120 4.340 9.169 -2.476 1.00 0.00 H new ATOM 0 HH22 ARG A 120 4.105 9.100 -4.225 1.00 0.00 H new ATOM 333 N CYS A 121 6.622 0.687 -5.012 1.00 0.00 N ATOM 334 CA CYS A 121 6.579 -0.068 -6.259 1.00 0.00 C ATOM 335 C CYS A 121 5.205 0.039 -6.913 1.00 0.00 C ATOM 336 O CYS A 121 4.253 0.532 -6.307 1.00 0.00 O ATOM 337 CB CYS A 121 6.921 -1.537 -6.002 1.00 0.00 C ATOM 338 SG CYS A 121 8.540 -1.796 -5.207 1.00 0.00 S ATOM 0 H CYS A 121 6.511 0.120 -4.172 1.00 0.00 H new ATOM 0 HA CYS A 121 7.319 0.357 -6.938 1.00 0.00 H new ATOM 0 HB2 CYS A 121 6.145 -1.975 -5.374 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.904 -2.074 -6.950 1.00 0.00 H new ATOM 343 N LYS A 122 5.108 -0.427 -8.153 1.00 0.00 N ATOM 344 CA LYS A 122 3.850 -0.386 -8.890 1.00 0.00 C ATOM 345 C LYS A 122 2.840 -1.362 -8.296 1.00 0.00 C ATOM 346 O LYS A 122 3.187 -2.267 -7.537 1.00 0.00 O ATOM 347 CB LYS A 122 4.089 -0.718 -10.365 1.00 0.00 C ATOM 348 CG LYS A 122 4.518 0.480 -11.196 1.00 0.00 C ATOM 349 CD LYS A 122 4.291 0.239 -12.679 1.00 0.00 C ATOM 350 CE LYS A 122 5.599 -0.033 -13.406 1.00 0.00 C ATOM 351 NZ LYS A 122 6.068 1.158 -14.168 1.00 0.00 N ATOM 0 H LYS A 122 5.886 -0.838 -8.669 1.00 0.00 H new ATOM 0 HA LYS A 122 3.444 0.623 -8.812 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.854 -1.491 -10.435 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.175 -1.134 -10.788 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.960 1.362 -10.880 1.00 0.00 H new ATOM 0 HG3 LYS A 122 5.573 0.689 -11.018 1.00 0.00 H new ATOM 0 HD2 LYS A 122 3.617 -0.607 -12.812 1.00 0.00 H new ATOM 0 HD3 LYS A 122 3.803 1.108 -13.119 1.00 0.00 H new ATOM 0 HE2 LYS A 122 6.362 -0.326 -12.684 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.467 -0.872 -14.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 6.962 0.932 -14.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 5.352 1.422 -14.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.218 1.952 -13.513 1.00 0.00 H new ATOM 365 N PRO A 123 1.559 -1.177 -8.649 1.00 0.00 N ATOM 366 CA PRO A 123 0.472 -2.033 -8.164 1.00 0.00 C ATOM 367 C PRO A 123 0.534 -3.438 -8.752 1.00 0.00 C ATOM 368 O PRO A 123 0.070 -4.399 -8.139 1.00 0.00 O ATOM 369 CB PRO A 123 -0.789 -1.309 -8.640 1.00 0.00 C ATOM 370 CG PRO A 123 -0.349 -0.521 -9.825 1.00 0.00 C ATOM 371 CD PRO A 123 1.073 -0.119 -9.550 1.00 0.00 C ATOM 0 HA PRO A 123 0.516 -2.175 -7.084 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -1.575 -2.016 -8.905 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -1.191 -0.661 -7.861 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -0.417 -1.115 -10.736 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -0.982 0.355 -9.968 1.00 0.00 H new ATOM 0 HD2 PRO A 123 1.661 -0.070 -10.466 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.129 0.864 -9.082 1.00 0.00 H new ATOM 379 N GLU A 124 1.110 -3.551 -9.945 1.00 0.00 N ATOM 380 CA GLU A 124 1.231 -4.840 -10.616 1.00 0.00 C ATOM 381 C GLU A 124 2.391 -5.646 -10.039 1.00 0.00 C ATOM 382 O GLU A 124 2.374 -6.877 -10.057 1.00 0.00 O ATOM 383 CB GLU A 124 1.432 -4.640 -12.120 1.00 0.00 C ATOM 384 CG GLU A 124 0.645 -3.472 -12.690 1.00 0.00 C ATOM 385 CD GLU A 124 0.729 -3.394 -14.202 1.00 0.00 C ATOM 386 OE1 GLU A 124 0.390 -4.394 -14.868 1.00 0.00 O ATOM 387 OE2 GLU A 124 1.135 -2.332 -14.718 1.00 0.00 O ATOM 0 H GLU A 124 1.500 -2.766 -10.466 1.00 0.00 H new ATOM 0 HA GLU A 124 0.308 -5.395 -10.451 1.00 0.00 H new ATOM 0 HB2 GLU A 124 2.492 -4.484 -12.319 1.00 0.00 H new ATOM 0 HB3 GLU A 124 1.141 -5.552 -12.641 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -0.400 -3.563 -12.392 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.019 -2.543 -12.261 1.00 0.00 H new ATOM 394 N ASP A 125 3.396 -4.944 -9.530 1.00 0.00 N ATOM 395 CA ASP A 125 4.565 -5.593 -8.947 1.00 0.00 C ATOM 396 C ASP A 125 4.247 -6.139 -7.558 1.00 0.00 C ATOM 397 O ASP A 125 3.506 -5.523 -6.792 1.00 0.00 O ATOM 398 CB ASP A 125 5.734 -4.610 -8.867 1.00 0.00 C ATOM 399 CG ASP A 125 6.596 -4.633 -10.114 1.00 0.00 C ATOM 400 OD1 ASP A 125 6.116 -5.122 -11.158 1.00 0.00 O ATOM 401 OD2 ASP A 125 7.751 -4.163 -10.046 1.00 0.00 O ATOM 0 H ASP A 125 3.426 -3.925 -9.509 1.00 0.00 H new ATOM 0 HA ASP A 125 4.846 -6.427 -9.590 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.348 -3.602 -8.714 1.00 0.00 H new ATOM 0 HB3 ASP A 125 6.349 -4.851 -8.000 1.00 0.00 H new ATOM 406 N THR A 126 4.813 -7.299 -7.240 1.00 0.00 N ATOM 407 CA THR A 126 4.589 -7.929 -5.946 1.00 0.00 C ATOM 408 C THR A 126 5.908 -8.321 -5.289 1.00 0.00 C ATOM 409 O THR A 126 5.945 -8.671 -4.110 1.00 0.00 O ATOM 410 CB THR A 126 3.702 -9.182 -6.077 1.00 0.00 C ATOM 411 OG1 THR A 126 4.099 -9.946 -7.221 1.00 0.00 O ATOM 412 CG2 THR A 126 2.236 -8.796 -6.202 1.00 0.00 C ATOM 0 H THR A 126 5.430 -7.821 -7.862 1.00 0.00 H new ATOM 0 HA THR A 126 4.079 -7.195 -5.322 1.00 0.00 H new ATOM 0 HB THR A 126 3.827 -9.785 -5.177 1.00 0.00 H new ATOM 0 HG1 THR A 126 3.532 -10.741 -7.296 1.00 0.00 H new ATOM 0 HG21 THR A 126 1.629 -9.697 -6.293 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.929 -8.240 -5.316 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.098 -8.174 -7.086 1.00 0.00 H new ATOM 420 N ALA A 127 6.988 -8.259 -6.060 1.00 0.00 N ATOM 421 CA ALA A 127 8.310 -8.605 -5.551 1.00 0.00 C ATOM 422 C ALA A 127 9.333 -7.530 -5.905 1.00 0.00 C ATOM 423 O ALA A 127 9.108 -6.715 -6.800 1.00 0.00 O ATOM 424 CB ALA A 127 8.750 -9.955 -6.099 1.00 0.00 C ATOM 0 H ALA A 127 6.974 -7.973 -7.039 1.00 0.00 H new ATOM 0 HA ALA A 127 8.249 -8.668 -4.465 1.00 0.00 H new ATOM 0 HB1 ALA A 127 9.738 -10.201 -5.711 1.00 0.00 H new ATOM 0 HB2 ALA A 127 8.039 -10.722 -5.792 1.00 0.00 H new ATOM 0 HB3 ALA A 127 8.788 -9.911 -7.187 1.00 0.00 H new ATOM 430 N CYS A 128 10.457 -7.534 -5.197 1.00 0.00 N ATOM 431 CA CYS A 128 11.514 -6.559 -5.435 1.00 0.00 C ATOM 432 C CYS A 128 12.688 -7.199 -6.171 1.00 0.00 C ATOM 433 O CYS A 128 12.791 -8.422 -6.252 1.00 0.00 O ATOM 434 CB CYS A 128 11.993 -5.961 -4.110 1.00 0.00 C ATOM 435 SG CYS A 128 10.652 -5.333 -3.050 1.00 0.00 S ATOM 0 H CYS A 128 10.659 -8.202 -4.453 1.00 0.00 H new ATOM 0 HA CYS A 128 11.107 -5.763 -6.059 1.00 0.00 H new ATOM 0 HB2 CYS A 128 12.550 -6.720 -3.561 1.00 0.00 H new ATOM 0 HB3 CYS A 128 12.687 -5.147 -4.321 1.00 0.00 H new ATOM 440 N MET A 129 13.571 -6.361 -6.705 1.00 0.00 N ATOM 441 CA MET A 129 14.739 -6.845 -7.433 1.00 0.00 C ATOM 442 C MET A 129 15.982 -6.042 -7.062 1.00 0.00 C ATOM 443 O MET A 129 15.886 -4.889 -6.642 1.00 0.00 O ATOM 444 CB MET A 129 14.496 -6.763 -8.942 1.00 0.00 C ATOM 445 CG MET A 129 14.979 -7.987 -9.703 1.00 0.00 C ATOM 446 SD MET A 129 13.746 -9.302 -9.757 1.00 0.00 S ATOM 447 CE MET A 129 14.198 -10.126 -11.282 1.00 0.00 C ATOM 0 H MET A 129 13.500 -5.345 -6.648 1.00 0.00 H new ATOM 0 HA MET A 129 14.904 -7.886 -7.155 1.00 0.00 H new ATOM 0 HB2 MET A 129 13.429 -6.630 -9.123 1.00 0.00 H new ATOM 0 HB3 MET A 129 14.999 -5.879 -9.335 1.00 0.00 H new ATOM 0 HG2 MET A 129 15.241 -7.697 -10.721 1.00 0.00 H new ATOM 0 HG3 MET A 129 15.888 -8.365 -9.236 1.00 0.00 H new ATOM 0 HE1 MET A 129 13.945 -11.184 -11.213 1.00 0.00 H new ATOM 0 HE2 MET A 129 13.655 -9.676 -12.113 1.00 0.00 H new ATOM 0 HE3 MET A 129 15.270 -10.020 -11.449 1.00 0.00 H new ATOM 457 N THR A 130 17.148 -6.660 -7.220 1.00 0.00 N ATOM 458 CA THR A 130 18.410 -6.004 -6.900 1.00 0.00 C ATOM 459 C THR A 130 19.523 -6.469 -7.832 1.00 0.00 C ATOM 460 O THR A 130 19.483 -7.581 -8.358 1.00 0.00 O ATOM 461 CB THR A 130 18.829 -6.274 -5.443 1.00 0.00 C ATOM 462 OG1 THR A 130 17.678 -6.269 -4.592 1.00 0.00 O ATOM 463 CG2 THR A 130 19.824 -5.227 -4.963 1.00 0.00 C ATOM 0 H THR A 130 17.245 -7.614 -7.568 1.00 0.00 H new ATOM 0 HA THR A 130 18.253 -4.934 -7.033 1.00 0.00 H new ATOM 0 HB THR A 130 19.306 -7.253 -5.402 1.00 0.00 H new ATOM 0 HG1 THR A 130 17.828 -6.873 -3.835 1.00 0.00 H new ATOM 0 HG21 THR A 130 20.105 -5.438 -3.931 1.00 0.00 H new ATOM 0 HG22 THR A 130 20.712 -5.253 -5.594 1.00 0.00 H new ATOM 0 HG23 THR A 130 19.368 -4.239 -5.019 1.00 0.00 H new ATOM 471 N THR A 131 20.518 -5.610 -8.032 1.00 0.00 N ATOM 472 CA THR A 131 21.643 -5.932 -8.901 1.00 0.00 C ATOM 473 C THR A 131 22.971 -5.668 -8.202 1.00 0.00 C ATOM 474 O THR A 131 23.364 -4.517 -8.007 1.00 0.00 O ATOM 475 CB THR A 131 21.593 -5.119 -10.209 1.00 0.00 C ATOM 476 OG1 THR A 131 20.264 -5.129 -10.742 1.00 0.00 O ATOM 477 CG2 THR A 131 22.561 -5.687 -11.236 1.00 0.00 C ATOM 0 H THR A 131 20.567 -4.686 -7.604 1.00 0.00 H new ATOM 0 HA THR A 131 21.566 -6.993 -9.138 1.00 0.00 H new ATOM 0 HB THR A 131 21.886 -4.093 -9.985 1.00 0.00 H new ATOM 0 HG1 THR A 131 19.704 -4.503 -10.237 1.00 0.00 H new ATOM 0 HG21 THR A 131 22.508 -5.097 -12.151 1.00 0.00 H new ATOM 0 HG22 THR A 131 23.575 -5.651 -10.839 1.00 0.00 H new ATOM 0 HG23 THR A 131 22.294 -6.721 -11.455 1.00 0.00 H new ATOM 733 N THR A 148 22.079 -1.667 -8.655 1.00 0.00 N ATOM 734 CA THR A 148 20.794 -1.006 -8.840 1.00 0.00 C ATOM 735 C THR A 148 19.651 -1.869 -8.317 1.00 0.00 C ATOM 736 O THR A 148 19.567 -3.058 -8.626 1.00 0.00 O ATOM 737 CB THR A 148 20.538 -0.680 -10.324 1.00 0.00 C ATOM 738 OG1 THR A 148 20.928 -1.788 -11.143 1.00 0.00 O ATOM 739 CG2 THR A 148 21.307 0.563 -10.745 1.00 0.00 C ATOM 0 HA THR A 148 20.833 -0.076 -8.273 1.00 0.00 H new ATOM 0 HB THR A 148 19.472 -0.490 -10.453 1.00 0.00 H new ATOM 0 HG1 THR A 148 21.776 -2.154 -10.816 1.00 0.00 H new ATOM 0 HG21 THR A 148 21.111 0.774 -11.796 1.00 0.00 H new ATOM 0 HG22 THR A 148 20.988 1.411 -10.139 1.00 0.00 H new ATOM 0 HG23 THR A 148 22.375 0.396 -10.602 1.00 0.00 H new ATOM 747 N ARG A 149 18.772 -1.263 -7.526 1.00 0.00 N ATOM 748 CA ARG A 149 17.634 -1.977 -6.960 1.00 0.00 C ATOM 749 C ARG A 149 16.321 -1.433 -7.514 1.00 0.00 C ATOM 750 O ARG A 149 16.030 -0.243 -7.394 1.00 0.00 O ATOM 751 CB ARG A 149 17.642 -1.865 -5.434 1.00 0.00 C ATOM 752 CG ARG A 149 17.063 -3.081 -4.731 1.00 0.00 C ATOM 753 CD ARG A 149 17.236 -2.988 -3.223 1.00 0.00 C ATOM 754 NE ARG A 149 15.963 -3.107 -2.517 1.00 0.00 N ATOM 755 CZ ARG A 149 15.382 -4.269 -2.240 1.00 0.00 C ATOM 756 NH1 ARG A 149 15.958 -5.406 -2.607 1.00 0.00 N ATOM 757 NH2 ARG A 149 14.223 -4.296 -1.594 1.00 0.00 N ATOM 0 H ARG A 149 18.826 -0.279 -7.262 1.00 0.00 H new ATOM 0 HA ARG A 149 17.720 -3.027 -7.241 1.00 0.00 H new ATOM 0 HB2 ARG A 149 18.667 -1.713 -5.095 1.00 0.00 H new ATOM 0 HB3 ARG A 149 17.075 -0.982 -5.140 1.00 0.00 H new ATOM 0 HG2 ARG A 149 16.004 -3.172 -4.972 1.00 0.00 H new ATOM 0 HG3 ARG A 149 17.552 -3.983 -5.099 1.00 0.00 H new ATOM 0 HD2 ARG A 149 17.912 -3.774 -2.887 1.00 0.00 H new ATOM 0 HD3 ARG A 149 17.703 -2.036 -2.970 1.00 0.00 H new ATOM 0 HE ARG A 149 15.494 -2.251 -2.220 1.00 0.00 H new ATOM 0 HH11 ARG A 149 16.849 -5.389 -3.103 1.00 0.00 H new ATOM 0 HH12 ARG A 149 15.510 -6.297 -2.393 1.00 0.00 H new ATOM 0 HH21 ARG A 149 13.777 -3.424 -1.310 1.00 0.00 H new ATOM 0 HH22 ARG A 149 13.778 -5.189 -1.382 1.00 0.00 H new ATOM 771 N SER A 150 15.531 -2.313 -8.122 1.00 0.00 N ATOM 772 CA SER A 150 14.251 -1.920 -8.698 1.00 0.00 C ATOM 773 C SER A 150 13.189 -2.985 -8.438 1.00 0.00 C ATOM 774 O SER A 150 13.505 -4.155 -8.224 1.00 0.00 O ATOM 775 CB SER A 150 14.396 -1.685 -10.203 1.00 0.00 C ATOM 776 OG SER A 150 14.901 -2.839 -10.853 1.00 0.00 O ATOM 0 H SER A 150 15.755 -3.302 -8.228 1.00 0.00 H new ATOM 0 HA SER A 150 13.935 -0.992 -8.221 1.00 0.00 H new ATOM 0 HB2 SER A 150 13.428 -1.419 -10.628 1.00 0.00 H new ATOM 0 HB3 SER A 150 15.064 -0.842 -10.380 1.00 0.00 H new ATOM 0 HG SER A 150 14.983 -2.664 -11.814 1.00 0.00 H new ATOM 782 N CYS A 151 11.927 -2.569 -8.459 1.00 0.00 N ATOM 783 CA CYS A 151 10.816 -3.484 -8.225 1.00 0.00 C ATOM 784 C CYS A 151 10.670 -4.469 -9.382 1.00 0.00 C ATOM 785 O CYS A 151 11.215 -4.256 -10.465 1.00 0.00 O ATOM 786 CB CYS A 151 9.514 -2.703 -8.040 1.00 0.00 C ATOM 787 SG CYS A 151 9.659 -1.272 -6.921 1.00 0.00 S ATOM 0 H CYS A 151 11.648 -1.604 -8.636 1.00 0.00 H new ATOM 0 HA CYS A 151 11.027 -4.046 -7.315 1.00 0.00 H new ATOM 0 HB2 CYS A 151 9.169 -2.356 -9.014 1.00 0.00 H new ATOM 0 HB3 CYS A 151 8.750 -3.377 -7.653 1.00 0.00 H new ATOM 792 N SER A 152 9.931 -5.548 -9.144 1.00 0.00 N ATOM 793 CA SER A 152 9.716 -6.568 -10.164 1.00 0.00 C ATOM 794 C SER A 152 8.355 -7.234 -9.987 1.00 0.00 C ATOM 795 O SER A 152 7.743 -7.148 -8.923 1.00 0.00 O ATOM 796 CB SER A 152 10.824 -7.621 -10.103 1.00 0.00 C ATOM 797 OG SER A 152 10.617 -8.636 -11.071 1.00 0.00 O ATOM 0 H SER A 152 9.471 -5.738 -8.254 1.00 0.00 H new ATOM 0 HA SER A 152 9.739 -6.083 -11.140 1.00 0.00 H new ATOM 0 HB2 SER A 152 11.791 -7.146 -10.270 1.00 0.00 H new ATOM 0 HB3 SER A 152 10.855 -8.064 -9.108 1.00 0.00 H new ATOM 0 HG SER A 152 11.392 -9.236 -11.087 1.00 0.00 H new ATOM 803 N SER A 153 7.888 -7.898 -11.040 1.00 0.00 N ATOM 804 CA SER A 153 6.597 -8.576 -11.004 1.00 0.00 C ATOM 805 C SER A 153 6.777 -10.090 -11.057 1.00 0.00 C ATOM 806 O SER A 153 5.827 -10.831 -11.307 1.00 0.00 O ATOM 807 CB SER A 153 5.722 -8.114 -12.171 1.00 0.00 C ATOM 808 OG SER A 153 6.460 -8.082 -13.380 1.00 0.00 O ATOM 0 H SER A 153 8.384 -7.981 -11.928 1.00 0.00 H new ATOM 0 HA SER A 153 6.105 -8.319 -10.066 1.00 0.00 H new ATOM 0 HB2 SER A 153 4.870 -8.785 -12.279 1.00 0.00 H new ATOM 0 HB3 SER A 153 5.322 -7.123 -11.959 1.00 0.00 H new ATOM 0 HG SER A 153 5.878 -7.785 -14.111 1.00 0.00 H new ATOM 814 N SER A 154 8.005 -10.542 -10.820 1.00 0.00 N ATOM 815 CA SER A 154 8.312 -11.967 -10.845 1.00 0.00 C ATOM 816 C SER A 154 9.737 -12.224 -10.365 1.00 0.00 C ATOM 817 O SER A 154 10.689 -12.152 -11.142 1.00 0.00 O ATOM 818 CB SER A 154 8.129 -12.526 -12.257 1.00 0.00 C ATOM 819 OG SER A 154 8.610 -11.616 -13.232 1.00 0.00 O ATOM 0 H SER A 154 8.802 -9.942 -10.609 1.00 0.00 H new ATOM 0 HA SER A 154 7.622 -12.473 -10.170 1.00 0.00 H new ATOM 0 HB2 SER A 154 8.659 -13.474 -12.348 1.00 0.00 H new ATOM 0 HB3 SER A 154 7.074 -12.732 -12.436 1.00 0.00 H new ATOM 0 HG SER A 154 9.516 -11.329 -12.993 1.00 0.00 H new ATOM 825 N CYS A 155 9.876 -12.524 -9.078 1.00 0.00 N ATOM 826 CA CYS A 155 11.184 -12.791 -8.491 1.00 0.00 C ATOM 827 C CYS A 155 11.768 -14.092 -9.034 1.00 0.00 C ATOM 828 O CYS A 155 11.347 -15.183 -8.648 1.00 0.00 O ATOM 829 CB CYS A 155 11.077 -12.863 -6.967 1.00 0.00 C ATOM 830 SG CYS A 155 12.474 -13.712 -6.163 1.00 0.00 S ATOM 0 H CYS A 155 9.098 -12.588 -8.421 1.00 0.00 H new ATOM 0 HA CYS A 155 11.851 -11.973 -8.763 1.00 0.00 H new ATOM 0 HB2 CYS A 155 11.004 -11.850 -6.570 1.00 0.00 H new ATOM 0 HB3 CYS A 155 10.153 -13.376 -6.702 1.00 0.00 H new ATOM 835 N VAL A 156 12.741 -13.969 -9.931 1.00 0.00 N ATOM 836 CA VAL A 156 13.384 -15.134 -10.526 1.00 0.00 C ATOM 837 C VAL A 156 14.831 -14.832 -10.900 1.00 0.00 C ATOM 838 O VAL A 156 15.148 -13.735 -11.359 1.00 0.00 O ATOM 839 CB VAL A 156 12.630 -15.613 -11.780 1.00 0.00 C ATOM 840 CG1 VAL A 156 13.348 -16.792 -12.418 1.00 0.00 C ATOM 841 CG2 VAL A 156 11.194 -15.976 -11.432 1.00 0.00 C ATOM 0 H VAL A 156 13.101 -13.074 -10.262 1.00 0.00 H new ATOM 0 HA VAL A 156 13.363 -15.924 -9.776 1.00 0.00 H new ATOM 0 HB VAL A 156 12.609 -14.798 -12.503 1.00 0.00 H new ATOM 0 HG11 VAL A 156 12.800 -17.116 -13.303 1.00 0.00 H new ATOM 0 HG12 VAL A 156 14.356 -16.492 -12.705 1.00 0.00 H new ATOM 0 HG13 VAL A 156 13.404 -17.614 -11.704 1.00 0.00 H new ATOM 0 HG21 VAL A 156 10.676 -16.312 -12.330 1.00 0.00 H new ATOM 0 HG22 VAL A 156 11.190 -16.775 -10.690 1.00 0.00 H new ATOM 0 HG23 VAL A 156 10.686 -15.101 -11.026 1.00 0.00 H new ATOM 987 N LEU A 168 24.701 -10.822 -9.900 1.00 0.00 N ATOM 988 CA LEU A 168 23.894 -11.285 -8.776 1.00 0.00 C ATOM 989 C LEU A 168 22.548 -10.568 -8.739 1.00 0.00 C ATOM 990 O LEU A 168 22.477 -9.378 -8.433 1.00 0.00 O ATOM 991 CB LEU A 168 24.641 -11.060 -7.460 1.00 0.00 C ATOM 992 CG LEU A 168 25.633 -12.151 -7.056 1.00 0.00 C ATOM 993 CD1 LEU A 168 26.965 -11.950 -7.762 1.00 0.00 C ATOM 994 CD2 LEU A 168 25.825 -12.165 -5.546 1.00 0.00 C ATOM 0 HA LEU A 168 23.712 -12.352 -8.906 1.00 0.00 H new ATOM 0 HB2 LEU A 168 25.179 -10.115 -7.528 1.00 0.00 H new ATOM 0 HB3 LEU A 168 23.906 -10.952 -6.662 1.00 0.00 H new ATOM 0 HG LEU A 168 25.226 -13.115 -7.360 1.00 0.00 H new ATOM 0 HD11 LEU A 168 27.658 -12.736 -7.462 1.00 0.00 H new ATOM 0 HD12 LEU A 168 26.815 -11.991 -8.841 1.00 0.00 H new ATOM 0 HD13 LEU A 168 27.378 -10.979 -7.490 1.00 0.00 H new ATOM 0 HD21 LEU A 168 26.534 -12.948 -5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 168 26.209 -11.199 -5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 168 24.869 -12.359 -5.059 1.00 0.00 H new ATOM 1006 N ILE A 169 21.485 -11.301 -9.051 1.00 0.00 N ATOM 1007 CA ILE A 169 20.141 -10.736 -9.051 1.00 0.00 C ATOM 1008 C ILE A 169 19.332 -11.242 -7.862 1.00 0.00 C ATOM 1009 O ILE A 169 18.927 -12.404 -7.822 1.00 0.00 O ATOM 1010 CB ILE A 169 19.388 -11.073 -10.351 1.00 0.00 C ATOM 1011 CG1 ILE A 169 20.155 -10.540 -11.563 1.00 0.00 C ATOM 1012 CG2 ILE A 169 17.981 -10.497 -10.312 1.00 0.00 C ATOM 1013 CD1 ILE A 169 20.445 -9.058 -11.491 1.00 0.00 C ATOM 0 H ILE A 169 21.528 -12.287 -9.307 1.00 0.00 H new ATOM 0 HA ILE A 169 20.254 -9.654 -8.977 1.00 0.00 H new ATOM 0 HB ILE A 169 19.313 -12.157 -10.440 1.00 0.00 H new ATOM 0 HG12 ILE A 169 21.096 -11.082 -11.654 1.00 0.00 H new ATOM 0 HG13 ILE A 169 19.580 -10.746 -12.466 1.00 0.00 H new ATOM 0 HG21 ILE A 169 17.461 -10.743 -11.238 1.00 0.00 H new ATOM 0 HG22 ILE A 169 17.438 -10.920 -9.467 1.00 0.00 H new ATOM 0 HG23 ILE A 169 18.034 -9.414 -10.203 1.00 0.00 H new ATOM 0 HD11 ILE A 169 20.991 -8.750 -12.383 1.00 0.00 H new ATOM 0 HD12 ILE A 169 19.507 -8.506 -11.431 1.00 0.00 H new ATOM 0 HD13 ILE A 169 21.047 -8.848 -10.607 1.00 0.00 H new ATOM 1025 N PHE A 170 19.099 -10.362 -6.894 1.00 0.00 N ATOM 1026 CA PHE A 170 18.337 -10.719 -5.703 1.00 0.00 C ATOM 1027 C PHE A 170 16.905 -10.201 -5.798 1.00 0.00 C ATOM 1028 O PHE A 170 16.647 -9.164 -6.409 1.00 0.00 O ATOM 1029 CB PHE A 170 19.013 -10.157 -4.451 1.00 0.00 C ATOM 1030 CG PHE A 170 20.008 -11.097 -3.833 1.00 0.00 C ATOM 1031 CD1 PHE A 170 21.160 -11.454 -4.515 1.00 0.00 C ATOM 1032 CD2 PHE A 170 19.792 -11.624 -2.570 1.00 0.00 C ATOM 1033 CE1 PHE A 170 22.077 -12.319 -3.949 1.00 0.00 C ATOM 1034 CE2 PHE A 170 20.705 -12.489 -1.998 1.00 0.00 C ATOM 1035 CZ PHE A 170 21.850 -12.837 -2.689 1.00 0.00 C ATOM 0 H PHE A 170 19.427 -9.396 -6.911 1.00 0.00 H new ATOM 0 HA PHE A 170 18.307 -11.806 -5.634 1.00 0.00 H new ATOM 0 HB2 PHE A 170 19.517 -9.225 -4.707 1.00 0.00 H new ATOM 0 HB3 PHE A 170 18.248 -9.914 -3.713 1.00 0.00 H new ATOM 0 HD1 PHE A 170 21.343 -11.052 -5.500 1.00 0.00 H new ATOM 0 HD2 PHE A 170 18.899 -11.355 -2.026 1.00 0.00 H new ATOM 0 HE1 PHE A 170 22.971 -12.590 -4.492 1.00 0.00 H new ATOM 0 HE2 PHE A 170 20.524 -12.892 -1.013 1.00 0.00 H new ATOM 0 HZ PHE A 170 22.566 -13.513 -2.245 1.00 0.00 H new ATOM 1045 N CYS A 171 15.977 -10.931 -5.188 1.00 0.00 N ATOM 1046 CA CYS A 171 14.570 -10.548 -5.204 1.00 0.00 C ATOM 1047 C CYS A 171 13.855 -11.053 -3.954 1.00 0.00 C ATOM 1048 O CYS A 171 14.319 -11.983 -3.292 1.00 0.00 O ATOM 1049 CB CYS A 171 13.883 -11.099 -6.455 1.00 0.00 C ATOM 1050 SG CYS A 171 14.176 -12.873 -6.744 1.00 0.00 S ATOM 0 H CYS A 171 16.174 -11.791 -4.676 1.00 0.00 H new ATOM 0 HA CYS A 171 14.516 -9.459 -5.218 1.00 0.00 H new ATOM 0 HB2 CYS A 171 12.810 -10.928 -6.372 1.00 0.00 H new ATOM 0 HB3 CYS A 171 14.229 -10.538 -7.323 1.00 0.00 H new ATOM 1055 N CYS A 172 12.723 -10.435 -3.636 1.00 0.00 N ATOM 1056 CA CYS A 172 11.943 -10.820 -2.466 1.00 0.00 C ATOM 1057 C CYS A 172 10.479 -10.420 -2.632 1.00 0.00 C ATOM 1058 O CYS A 172 10.123 -9.702 -3.567 1.00 0.00 O ATOM 1059 CB CYS A 172 12.520 -10.172 -1.206 1.00 0.00 C ATOM 1060 SG CYS A 172 13.005 -8.430 -1.421 1.00 0.00 S ATOM 0 H CYS A 172 12.325 -9.664 -4.173 1.00 0.00 H new ATOM 0 HA CYS A 172 11.996 -11.904 -2.366 1.00 0.00 H new ATOM 0 HB2 CYS A 172 11.782 -10.236 -0.407 1.00 0.00 H new ATOM 0 HB3 CYS A 172 13.390 -10.743 -0.883 1.00 0.00 H new ATOM 1065 N PHE A 173 9.636 -10.888 -1.718 1.00 0.00 N ATOM 1066 CA PHE A 173 8.212 -10.580 -1.763 1.00 0.00 C ATOM 1067 C PHE A 173 7.763 -9.895 -0.476 1.00 0.00 C ATOM 1068 O PHE A 173 6.630 -10.074 -0.027 1.00 0.00 O ATOM 1069 CB PHE A 173 7.399 -11.857 -1.985 1.00 0.00 C ATOM 1070 CG PHE A 173 7.282 -12.251 -3.430 1.00 0.00 C ATOM 1071 CD1 PHE A 173 6.328 -11.665 -4.246 1.00 0.00 C ATOM 1072 CD2 PHE A 173 8.127 -13.206 -3.972 1.00 0.00 C ATOM 1073 CE1 PHE A 173 6.219 -12.026 -5.576 1.00 0.00 C ATOM 1074 CE2 PHE A 173 8.023 -13.570 -5.301 1.00 0.00 C ATOM 1075 CZ PHE A 173 7.068 -12.978 -6.104 1.00 0.00 C ATOM 0 H PHE A 173 9.915 -11.482 -0.937 1.00 0.00 H new ATOM 0 HA PHE A 173 8.039 -9.898 -2.596 1.00 0.00 H new ATOM 0 HB2 PHE A 173 7.862 -12.673 -1.431 1.00 0.00 H new ATOM 0 HB3 PHE A 173 6.400 -11.718 -1.573 1.00 0.00 H new ATOM 0 HD1 PHE A 173 5.662 -10.918 -3.839 1.00 0.00 H new ATOM 0 HD2 PHE A 173 8.876 -13.671 -3.348 1.00 0.00 H new ATOM 0 HE1 PHE A 173 5.470 -11.563 -6.202 1.00 0.00 H new ATOM 0 HE2 PHE A 173 8.687 -14.316 -5.711 1.00 0.00 H new ATOM 0 HZ PHE A 173 6.985 -13.259 -7.143 1.00 0.00 H new ATOM 1085 N ARG A 174 8.659 -9.111 0.114 1.00 0.00 N ATOM 1086 CA ARG A 174 8.357 -8.400 1.351 1.00 0.00 C ATOM 1087 C ARG A 174 8.914 -6.981 1.312 1.00 0.00 C ATOM 1088 O ARG A 174 10.036 -6.756 0.858 1.00 0.00 O ATOM 1089 CB ARG A 174 8.933 -9.154 2.551 1.00 0.00 C ATOM 1090 CG ARG A 174 8.196 -10.443 2.872 1.00 0.00 C ATOM 1091 CD ARG A 174 7.192 -10.245 3.997 1.00 0.00 C ATOM 1092 NE ARG A 174 7.221 -11.346 4.957 1.00 0.00 N ATOM 1093 CZ ARG A 174 8.132 -11.461 5.916 1.00 0.00 C ATOM 1094 NH1 ARG A 174 9.085 -10.547 6.043 1.00 0.00 N ATOM 1095 NH2 ARG A 174 8.092 -12.491 6.751 1.00 0.00 N ATOM 0 H ARG A 174 9.601 -8.952 -0.245 1.00 0.00 H new ATOM 0 HA ARG A 174 7.273 -8.343 1.453 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.981 -9.383 2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.906 -8.503 3.425 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.680 -10.800 1.981 1.00 0.00 H new ATOM 0 HG3 ARG A 174 8.914 -11.213 3.155 1.00 0.00 H new ATOM 0 HD2 ARG A 174 7.405 -9.309 4.513 1.00 0.00 H new ATOM 0 HD3 ARG A 174 6.190 -10.156 3.577 1.00 0.00 H new ATOM 0 HE ARG A 174 6.502 -12.066 4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 174 9.119 -9.753 5.403 1.00 0.00 H new ATOM 0 HH12 ARG A 174 9.784 -10.638 6.781 1.00 0.00 H new ATOM 0 HH21 ARG A 174 7.361 -13.196 6.657 1.00 0.00 H new ATOM 0 HH22 ARG A 174 8.792 -12.578 7.487 1.00 0.00 H new ATOM 1109 N ASP A 175 8.123 -6.027 1.790 1.00 0.00 N ATOM 1110 CA ASP A 175 8.537 -4.629 1.811 1.00 0.00 C ATOM 1111 C ASP A 175 9.828 -4.456 2.607 1.00 0.00 C ATOM 1112 O ASP A 175 9.903 -4.832 3.777 1.00 0.00 O ATOM 1113 CB ASP A 175 7.433 -3.756 2.411 1.00 0.00 C ATOM 1114 CG ASP A 175 6.080 -4.022 1.781 1.00 0.00 C ATOM 1115 OD1 ASP A 175 5.532 -5.123 1.995 1.00 0.00 O ATOM 1116 OD2 ASP A 175 5.569 -3.128 1.074 1.00 0.00 O ATOM 0 H ASP A 175 7.191 -6.196 2.168 1.00 0.00 H new ATOM 0 HA ASP A 175 8.720 -4.315 0.783 1.00 0.00 H new ATOM 0 HB2 ASP A 175 7.373 -3.937 3.484 1.00 0.00 H new ATOM 0 HB3 ASP A 175 7.692 -2.705 2.279 1.00 0.00 H new ATOM 1121 N LEU A 176 10.841 -3.886 1.964 1.00 0.00 N ATOM 1122 CA LEU A 176 12.129 -3.664 2.611 1.00 0.00 C ATOM 1123 C LEU A 176 12.711 -4.975 3.131 1.00 0.00 C ATOM 1124 O LEU A 176 13.333 -5.012 4.193 1.00 0.00 O ATOM 1125 CB LEU A 176 11.979 -2.667 3.762 1.00 0.00 C ATOM 1126 CG LEU A 176 10.999 -1.517 3.530 1.00 0.00 C ATOM 1127 CD1 LEU A 176 11.047 -0.533 4.689 1.00 0.00 C ATOM 1128 CD2 LEU A 176 11.306 -0.812 2.217 1.00 0.00 C ATOM 0 H LEU A 176 10.795 -3.569 0.995 1.00 0.00 H new ATOM 0 HA LEU A 176 12.814 -3.253 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 176 11.663 -3.213 4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 176 12.960 -2.244 3.980 1.00 0.00 H new ATOM 0 HG LEU A 176 9.992 -1.929 3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 176 10.343 0.279 4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 176 10.778 -1.045 5.613 1.00 0.00 H new ATOM 0 HD13 LEU A 176 12.054 -0.126 4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 176 10.599 0.004 2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 176 12.320 -0.412 2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 176 11.220 -1.522 1.394 1.00 0.00 H new ATOM 1140 N CYS A 177 12.505 -6.048 2.375 1.00 0.00 N ATOM 1141 CA CYS A 177 13.010 -7.361 2.757 1.00 0.00 C ATOM 1142 C CYS A 177 14.487 -7.288 3.132 1.00 0.00 C ATOM 1143 O CYS A 177 14.989 -8.122 3.885 1.00 0.00 O ATOM 1144 CB CYS A 177 12.811 -8.360 1.615 1.00 0.00 C ATOM 1145 SG CYS A 177 14.128 -8.322 0.357 1.00 0.00 S ATOM 0 H CYS A 177 11.992 -6.034 1.494 1.00 0.00 H new ATOM 0 HA CYS A 177 12.448 -7.699 3.628 1.00 0.00 H new ATOM 0 HB2 CYS A 177 12.750 -9.365 2.032 1.00 0.00 H new ATOM 0 HB3 CYS A 177 11.855 -8.157 1.132 1.00 0.00 H new ATOM 1150 N ASN A 178 15.178 -6.284 2.602 1.00 0.00 N ATOM 1151 CA ASN A 178 16.598 -6.102 2.880 1.00 0.00 C ATOM 1152 C ASN A 178 16.922 -4.628 3.108 1.00 0.00 C ATOM 1153 O ASN A 178 16.064 -3.761 2.948 1.00 0.00 O ATOM 1154 CB ASN A 178 17.439 -6.649 1.726 1.00 0.00 C ATOM 1155 CG ASN A 178 17.308 -5.812 0.467 1.00 0.00 C ATOM 1156 OD1 ASN A 178 16.422 -4.964 0.362 1.00 0.00 O ATOM 1157 ND2 ASN A 178 18.192 -6.049 -0.495 1.00 0.00 N ATOM 0 H ASN A 178 14.778 -5.584 1.978 1.00 0.00 H new ATOM 0 HA ASN A 178 16.839 -6.654 3.789 1.00 0.00 H new ATOM 0 HB2 ASN A 178 18.486 -6.685 2.028 1.00 0.00 H new ATOM 0 HB3 ASN A 178 17.134 -7.673 1.511 1.00 0.00 H new ATOM 0 HD21 ASN A 178 18.154 -5.518 -1.365 1.00 0.00 H new ATOM 0 HD22 ASN A 178 18.910 -6.762 -0.364 1.00 0.00 H new