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 130 THR OG1 : rot 180:sc= -0.727 USER MOD Set 1.2: A 178 ASN : amide:sc= -1.23 X(o=-2,f=-2.4) USER MOD Set 2.1: A 105 THR OG1 : rot 170:sc= 0.57 USER MOD Set 2.2: A 119 THR OG1 : rot 157:sc= 0.849 USER MOD Single : A 100 MET CE :methyl -172:sc= 0 (180deg=-0.0292) USER MOD Single : A 102 LYS NZ :NH3+ 165:sc= -0.222 (180deg=-0.831) USER MOD Single : A 104 TYR OH : rot 180:sc=-0.00379 USER MOD Single : A 106 CYS SG : rot 26:sc= 0.0874 USER MOD Single : A 117 THR OG1 : rot 13:sc= 0.274 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 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 THR OG1 : rot -25:sc= 0.609 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 152 SER OG : rot 180:sc= -0.15 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 SER OG : rot 54:sc=0.000868 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 0.902 -1.068 -1.156 1.00 0.00 N ATOM 2 CA MET A 100 1.655 -1.278 -2.387 1.00 0.00 C ATOM 3 C MET A 100 3.048 -1.822 -2.086 1.00 0.00 C ATOM 4 O MET A 100 3.546 -1.697 -0.967 1.00 0.00 O ATOM 5 CB MET A 100 1.765 0.031 -3.172 1.00 0.00 C ATOM 6 CG MET A 100 2.498 1.130 -2.422 1.00 0.00 C ATOM 7 SD MET A 100 1.629 2.709 -2.477 1.00 0.00 S ATOM 8 CE MET A 100 1.692 3.069 -4.231 1.00 0.00 C ATOM 0 HA MET A 100 1.120 -2.012 -2.990 1.00 0.00 H new ATOM 0 HB2 MET A 100 2.281 -0.162 -4.113 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.763 0.380 -3.423 1.00 0.00 H new ATOM 0 HG2 MET A 100 2.631 0.829 -1.383 1.00 0.00 H new ATOM 0 HG3 MET A 100 3.494 1.253 -2.848 1.00 0.00 H new ATOM 0 HE1 MET A 100 1.323 4.079 -4.409 1.00 0.00 H new ATOM 0 HE2 MET A 100 2.721 2.992 -4.581 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.070 2.355 -4.772 1.00 0.00 H new ATOM 18 N LEU A 101 3.672 -2.427 -3.091 1.00 0.00 N ATOM 19 CA LEU A 101 5.008 -2.991 -2.934 1.00 0.00 C ATOM 20 C LEU A 101 6.049 -1.888 -2.777 1.00 0.00 C ATOM 21 O LEU A 101 6.167 -1.004 -3.625 1.00 0.00 O ATOM 22 CB LEU A 101 5.356 -3.870 -4.137 1.00 0.00 C ATOM 23 CG LEU A 101 6.246 -5.080 -3.849 1.00 0.00 C ATOM 24 CD1 LEU A 101 7.011 -5.489 -5.098 1.00 0.00 C ATOM 25 CD2 LEU A 101 7.207 -4.776 -2.708 1.00 0.00 C ATOM 0 H LEU A 101 3.274 -2.539 -4.023 1.00 0.00 H new ATOM 0 HA LEU A 101 5.015 -3.602 -2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.427 -4.225 -4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.851 -3.250 -4.884 1.00 0.00 H new ATOM 0 HG LEU A 101 5.609 -5.912 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.639 -6.351 -4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.306 -5.749 -5.888 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.637 -4.660 -5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.832 -5.648 -2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.838 -3.930 -2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.640 -4.532 -1.810 1.00 0.00 H new ATOM 37 N LYS A 102 6.805 -1.947 -1.685 1.00 0.00 N ATOM 38 CA LYS A 102 7.841 -0.956 -1.417 1.00 0.00 C ATOM 39 C LYS A 102 9.218 -1.609 -1.364 1.00 0.00 C ATOM 40 O LYS A 102 9.400 -2.649 -0.730 1.00 0.00 O ATOM 41 CB LYS A 102 7.556 -0.236 -0.097 1.00 0.00 C ATOM 42 CG LYS A 102 6.612 0.946 -0.241 1.00 0.00 C ATOM 43 CD LYS A 102 5.273 0.674 0.425 1.00 0.00 C ATOM 44 CE LYS A 102 4.716 1.924 1.088 1.00 0.00 C ATOM 45 NZ LYS A 102 3.304 2.181 0.690 1.00 0.00 N ATOM 0 H LYS A 102 6.719 -2.671 -0.971 1.00 0.00 H new ATOM 0 HA LYS A 102 7.834 -0.230 -2.230 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.129 -0.947 0.610 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.497 0.111 0.329 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.067 1.832 0.202 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.457 1.162 -1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.564 0.308 -0.317 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.389 -0.113 1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.774 1.817 2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.331 2.783 0.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 2.881 2.874 1.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.279 2.555 -0.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 2.764 1.293 0.732 1.00 0.00 H new ATOM 59 N CYS A 103 10.186 -0.992 -2.034 1.00 0.00 N ATOM 60 CA CYS A 103 11.548 -1.512 -2.063 1.00 0.00 C ATOM 61 C CYS A 103 12.561 -0.398 -1.816 1.00 0.00 C ATOM 62 O CYS A 103 12.324 0.759 -2.163 1.00 0.00 O ATOM 63 CB CYS A 103 11.831 -2.185 -3.407 1.00 0.00 C ATOM 64 SG CYS A 103 10.414 -3.102 -4.093 1.00 0.00 S ATOM 0 H CYS A 103 10.052 -0.131 -2.564 1.00 0.00 H new ATOM 0 HA CYS A 103 11.645 -2.250 -1.267 1.00 0.00 H new ATOM 0 HB2 CYS A 103 12.139 -1.424 -4.124 1.00 0.00 H new ATOM 0 HB3 CYS A 103 12.670 -2.870 -3.288 1.00 0.00 H new ATOM 69 N TYR A 104 13.690 -0.756 -1.214 1.00 0.00 N ATOM 70 CA TYR A 104 14.738 0.214 -0.918 1.00 0.00 C ATOM 71 C TYR A 104 15.511 0.583 -2.180 1.00 0.00 C ATOM 72 O TYR A 104 16.433 -0.124 -2.589 1.00 0.00 O ATOM 73 CB TYR A 104 15.697 -0.346 0.135 1.00 0.00 C ATOM 74 CG TYR A 104 15.230 -0.127 1.556 1.00 0.00 C ATOM 75 CD1 TYR A 104 15.224 1.144 2.118 1.00 0.00 C ATOM 76 CD2 TYR A 104 14.797 -1.190 2.338 1.00 0.00 C ATOM 77 CE1 TYR A 104 14.800 1.349 3.416 1.00 0.00 C ATOM 78 CE2 TYR A 104 14.369 -0.995 3.637 1.00 0.00 C ATOM 79 CZ TYR A 104 14.372 0.277 4.171 1.00 0.00 C ATOM 80 OH TYR A 104 13.948 0.476 5.465 1.00 0.00 O ATOM 0 H TYR A 104 13.903 -1.710 -0.922 1.00 0.00 H new ATOM 0 HA TYR A 104 14.265 1.115 -0.527 1.00 0.00 H new ATOM 0 HB2 TYR A 104 15.827 -1.415 -0.035 1.00 0.00 H new ATOM 0 HB3 TYR A 104 16.675 0.118 0.007 1.00 0.00 H new ATOM 0 HD1 TYR A 104 15.557 1.986 1.529 1.00 0.00 H new ATOM 0 HD2 TYR A 104 14.795 -2.187 1.923 1.00 0.00 H new ATOM 0 HE1 TYR A 104 14.803 2.343 3.838 1.00 0.00 H new ATOM 0 HE2 TYR A 104 14.034 -1.833 4.231 1.00 0.00 H new ATOM 0 HH TYR A 104 13.679 -0.381 5.857 1.00 0.00 H new ATOM 90 N THR A 105 15.128 1.698 -2.796 1.00 0.00 N ATOM 91 CA THR A 105 15.783 2.163 -4.012 1.00 0.00 C ATOM 92 C THR A 105 16.324 3.578 -3.839 1.00 0.00 C ATOM 93 O THR A 105 15.586 4.495 -3.477 1.00 0.00 O ATOM 94 CB THR A 105 14.820 2.137 -5.214 1.00 0.00 C ATOM 95 OG1 THR A 105 14.012 3.320 -5.220 1.00 0.00 O ATOM 96 CG2 THR A 105 13.926 0.907 -5.164 1.00 0.00 C ATOM 0 H THR A 105 14.367 2.295 -2.472 1.00 0.00 H new ATOM 0 HA THR A 105 16.612 1.481 -4.205 1.00 0.00 H new ATOM 0 HB THR A 105 15.414 2.098 -6.127 1.00 0.00 H new ATOM 0 HG1 THR A 105 13.520 3.376 -6.066 1.00 0.00 H new ATOM 0 HG21 THR A 105 13.255 0.910 -6.023 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.542 0.008 -5.188 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.340 0.920 -4.245 1.00 0.00 H new ATOM 104 N CYS A 106 17.615 3.749 -4.100 1.00 0.00 N ATOM 105 CA CYS A 106 18.255 5.052 -3.974 1.00 0.00 C ATOM 106 C CYS A 106 18.035 5.890 -5.230 1.00 0.00 C ATOM 107 O CYS A 106 17.606 5.379 -6.264 1.00 0.00 O ATOM 108 CB CYS A 106 19.754 4.885 -3.716 1.00 0.00 C ATOM 109 SG CYS A 106 20.595 3.787 -4.901 1.00 0.00 S ATOM 0 H CYS A 106 18.239 3.000 -4.400 1.00 0.00 H new ATOM 0 HA CYS A 106 17.803 5.570 -3.128 1.00 0.00 H new ATOM 0 HB2 CYS A 106 20.228 5.866 -3.746 1.00 0.00 H new ATOM 0 HB3 CYS A 106 19.897 4.493 -2.709 1.00 0.00 H new ATOM 0 HG CYS A 106 19.946 3.786 -6.027 1.00 0.00 H new ATOM 262 N THR A 117 16.761 3.720 0.345 1.00 0.00 N ATOM 263 CA THR A 117 15.710 4.728 0.415 1.00 0.00 C ATOM 264 C THR A 117 14.341 4.114 0.149 1.00 0.00 C ATOM 265 O THR A 117 14.171 3.336 -0.791 1.00 0.00 O ATOM 266 CB THR A 117 15.956 5.865 -0.594 1.00 0.00 C ATOM 267 OG1 THR A 117 17.360 6.023 -0.823 1.00 0.00 O ATOM 268 CG2 THR A 117 15.369 7.174 -0.087 1.00 0.00 C ATOM 0 HA THR A 117 15.730 5.138 1.425 1.00 0.00 H new ATOM 0 HB THR A 117 15.464 5.602 -1.530 1.00 0.00 H new ATOM 0 HG1 THR A 117 17.841 5.254 -0.452 1.00 0.00 H new ATOM 0 HG21 THR A 117 15.555 7.963 -0.816 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.295 7.059 0.057 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.836 7.439 0.861 1.00 0.00 H new ATOM 276 N ILE A 118 13.367 4.469 0.980 1.00 0.00 N ATOM 277 CA ILE A 118 12.011 3.954 0.832 1.00 0.00 C ATOM 278 C ILE A 118 11.354 4.491 -0.434 1.00 0.00 C ATOM 279 O ILE A 118 11.123 5.694 -0.566 1.00 0.00 O ATOM 280 CB ILE A 118 11.135 4.317 2.046 1.00 0.00 C ATOM 281 CG1 ILE A 118 11.730 3.728 3.326 1.00 0.00 C ATOM 282 CG2 ILE A 118 9.712 3.822 1.839 1.00 0.00 C ATOM 283 CD1 ILE A 118 11.727 2.215 3.354 1.00 0.00 C ATOM 0 H ILE A 118 13.491 5.111 1.763 1.00 0.00 H new ATOM 0 HA ILE A 118 12.091 2.869 0.764 1.00 0.00 H new ATOM 0 HB ILE A 118 11.110 5.402 2.146 1.00 0.00 H new ATOM 0 HG12 ILE A 118 12.754 4.083 3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 118 11.168 4.100 4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.105 4.086 2.705 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.292 4.286 0.947 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.718 2.739 1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 118 12.163 1.868 4.291 1.00 0.00 H new ATOM 0 HD12 ILE A 118 10.702 1.852 3.274 1.00 0.00 H new ATOM 0 HD13 ILE A 118 12.313 1.834 2.518 1.00 0.00 H new ATOM 295 N THR A 119 11.052 3.592 -1.366 1.00 0.00 N ATOM 296 CA THR A 119 10.421 3.975 -2.622 1.00 0.00 C ATOM 297 C THR A 119 9.233 3.072 -2.938 1.00 0.00 C ATOM 298 O THR A 119 9.254 1.877 -2.642 1.00 0.00 O ATOM 299 CB THR A 119 11.420 3.918 -3.793 1.00 0.00 C ATOM 300 OG1 THR A 119 12.441 4.906 -3.614 1.00 0.00 O ATOM 301 CG2 THR A 119 10.711 4.147 -5.120 1.00 0.00 C ATOM 0 H THR A 119 11.235 2.593 -1.274 1.00 0.00 H new ATOM 0 HA THR A 119 10.073 5.001 -2.501 1.00 0.00 H new ATOM 0 HB THR A 119 11.873 2.927 -3.808 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.240 4.646 -4.118 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.436 4.102 -5.932 1.00 0.00 H new ATOM 0 HG22 THR A 119 9.954 3.376 -5.266 1.00 0.00 H new ATOM 0 HG23 THR A 119 10.234 5.127 -5.113 1.00 0.00 H new ATOM 309 N ARG A 120 8.200 3.651 -3.540 1.00 0.00 N ATOM 310 CA ARG A 120 7.003 2.899 -3.896 1.00 0.00 C ATOM 311 C ARG A 120 7.140 2.284 -5.286 1.00 0.00 C ATOM 312 O ARG A 120 7.374 2.990 -6.268 1.00 0.00 O ATOM 313 CB ARG A 120 5.771 3.805 -3.846 1.00 0.00 C ATOM 314 CG ARG A 120 5.806 4.818 -2.713 1.00 0.00 C ATOM 315 CD ARG A 120 6.190 6.201 -3.215 1.00 0.00 C ATOM 316 NE ARG A 120 5.685 7.259 -2.344 1.00 0.00 N ATOM 317 CZ ARG A 120 5.568 8.528 -2.720 1.00 0.00 C ATOM 318 NH1 ARG A 120 5.916 8.894 -3.946 1.00 0.00 N ATOM 319 NH2 ARG A 120 5.100 9.432 -1.870 1.00 0.00 N ATOM 0 H ARG A 120 8.168 4.639 -3.792 1.00 0.00 H new ATOM 0 HA ARG A 120 6.882 2.093 -3.172 1.00 0.00 H new ATOM 0 HB2 ARG A 120 5.682 4.336 -4.794 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.880 3.187 -3.742 1.00 0.00 H new ATOM 0 HG2 ARG A 120 4.829 4.862 -2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 120 6.519 4.494 -1.955 1.00 0.00 H new ATOM 0 HD2 ARG A 120 7.275 6.274 -3.282 1.00 0.00 H new ATOM 0 HD3 ARG A 120 5.798 6.343 -4.222 1.00 0.00 H new ATOM 0 HE ARG A 120 5.407 7.010 -1.395 1.00 0.00 H new ATOM 0 HH11 ARG A 120 6.274 8.201 -4.603 1.00 0.00 H new ATOM 0 HH12 ARG A 120 5.825 9.869 -4.232 1.00 0.00 H new ATOM 0 HH21 ARG A 120 4.830 9.153 -0.927 1.00 0.00 H new ATOM 0 HH22 ARG A 120 5.011 10.406 -2.159 1.00 0.00 H new ATOM 333 N CYS A 121 6.992 0.966 -5.361 1.00 0.00 N ATOM 334 CA CYS A 121 7.100 0.256 -6.630 1.00 0.00 C ATOM 335 C CYS A 121 5.902 0.557 -7.526 1.00 0.00 C ATOM 336 O CYS A 121 4.959 1.233 -7.114 1.00 0.00 O ATOM 337 CB CYS A 121 7.202 -1.252 -6.387 1.00 0.00 C ATOM 338 SG CYS A 121 8.651 -1.749 -5.401 1.00 0.00 S ATOM 0 H CYS A 121 6.797 0.368 -4.558 1.00 0.00 H new ATOM 0 HA CYS A 121 8.004 0.599 -7.134 1.00 0.00 H new ATOM 0 HB2 CYS A 121 6.298 -1.590 -5.880 1.00 0.00 H new ATOM 0 HB3 CYS A 121 7.238 -1.763 -7.349 1.00 0.00 H new ATOM 343 N LYS A 122 5.947 0.052 -8.754 1.00 0.00 N ATOM 344 CA LYS A 122 4.866 0.265 -9.709 1.00 0.00 C ATOM 345 C LYS A 122 3.790 -0.805 -9.561 1.00 0.00 C ATOM 346 O LYS A 122 4.017 -1.873 -8.992 1.00 0.00 O ATOM 347 CB LYS A 122 5.413 0.259 -11.139 1.00 0.00 C ATOM 348 CG LYS A 122 6.852 0.734 -11.242 1.00 0.00 C ATOM 349 CD LYS A 122 7.194 1.174 -12.655 1.00 0.00 C ATOM 350 CE LYS A 122 8.620 0.796 -13.027 1.00 0.00 C ATOM 351 NZ LYS A 122 8.735 0.404 -14.459 1.00 0.00 N ATOM 0 H LYS A 122 6.721 -0.508 -9.112 1.00 0.00 H new ATOM 0 HA LYS A 122 4.418 1.237 -9.501 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.343 -0.752 -11.541 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.784 0.895 -11.762 1.00 0.00 H new ATOM 0 HG2 LYS A 122 7.013 1.563 -10.553 1.00 0.00 H new ATOM 0 HG3 LYS A 122 7.524 -0.069 -10.937 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.499 0.715 -13.358 1.00 0.00 H new ATOM 0 HD3 LYS A 122 7.068 2.253 -12.742 1.00 0.00 H new ATOM 0 HE2 LYS A 122 9.283 1.638 -12.827 1.00 0.00 H new ATOM 0 HE3 LYS A 122 8.953 -0.029 -12.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 9.722 0.154 -14.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 8.122 -0.415 -14.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 8.442 1.199 -15.061 1.00 0.00 H new ATOM 365 N PRO A 123 2.590 -0.516 -10.085 1.00 0.00 N ATOM 366 CA PRO A 123 1.455 -1.442 -10.024 1.00 0.00 C ATOM 367 C PRO A 123 1.657 -2.665 -10.913 1.00 0.00 C ATOM 368 O PRO A 123 1.156 -3.748 -10.615 1.00 0.00 O ATOM 369 CB PRO A 123 0.282 -0.600 -10.532 1.00 0.00 C ATOM 370 CG PRO A 123 0.909 0.442 -11.393 1.00 0.00 C ATOM 371 CD PRO A 123 2.248 0.738 -10.777 1.00 0.00 C ATOM 0 HA PRO A 123 1.308 -1.841 -9.020 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -0.426 -1.207 -11.097 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -0.270 -0.152 -9.706 1.00 0.00 H new ATOM 0 HG2 PRO A 123 1.021 0.086 -12.417 1.00 0.00 H new ATOM 0 HG3 PRO A 123 0.291 1.339 -11.433 1.00 0.00 H new ATOM 0 HD2 PRO A 123 2.990 0.995 -11.533 1.00 0.00 H new ATOM 0 HD3 PRO A 123 2.195 1.578 -10.084 1.00 0.00 H new ATOM 379 N GLU A 124 2.395 -2.482 -12.004 1.00 0.00 N ATOM 380 CA GLU A 124 2.662 -3.572 -12.935 1.00 0.00 C ATOM 381 C GLU A 124 3.699 -4.534 -12.364 1.00 0.00 C ATOM 382 O GLU A 124 3.770 -5.696 -12.765 1.00 0.00 O ATOM 383 CB GLU A 124 3.148 -3.018 -14.276 1.00 0.00 C ATOM 384 CG GLU A 124 4.597 -2.561 -14.257 1.00 0.00 C ATOM 385 CD GLU A 124 4.932 -1.637 -15.412 1.00 0.00 C ATOM 386 OE1 GLU A 124 4.759 -0.410 -15.258 1.00 0.00 O ATOM 387 OE2 GLU A 124 5.368 -2.141 -16.468 1.00 0.00 O ATOM 0 H GLU A 124 2.818 -1.591 -12.264 1.00 0.00 H new ATOM 0 HA GLU A 124 1.732 -4.119 -13.091 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.028 -3.785 -15.041 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.515 -2.179 -14.564 1.00 0.00 H new ATOM 0 HG2 GLU A 124 4.800 -2.049 -13.316 1.00 0.00 H new ATOM 0 HG3 GLU A 124 5.250 -3.433 -14.293 1.00 0.00 H new ATOM 394 N ASP A 125 4.500 -4.042 -11.426 1.00 0.00 N ATOM 395 CA ASP A 125 5.534 -4.857 -10.798 1.00 0.00 C ATOM 396 C ASP A 125 4.913 -5.933 -9.912 1.00 0.00 C ATOM 397 O ASP A 125 3.691 -6.036 -9.804 1.00 0.00 O ATOM 398 CB ASP A 125 6.475 -3.979 -9.972 1.00 0.00 C ATOM 399 CG ASP A 125 7.655 -3.476 -10.779 1.00 0.00 C ATOM 400 OD1 ASP A 125 7.648 -3.655 -12.015 1.00 0.00 O ATOM 401 OD2 ASP A 125 8.586 -2.903 -10.175 1.00 0.00 O ATOM 0 H ASP A 125 4.454 -3.082 -11.083 1.00 0.00 H new ATOM 0 HA ASP A 125 6.106 -5.346 -11.587 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.920 -3.128 -9.577 1.00 0.00 H new ATOM 0 HB3 ASP A 125 6.840 -4.547 -9.116 1.00 0.00 H new ATOM 406 N THR A 126 5.765 -6.736 -9.281 1.00 0.00 N ATOM 407 CA THR A 126 5.301 -7.806 -8.407 1.00 0.00 C ATOM 408 C THR A 126 6.311 -8.090 -7.301 1.00 0.00 C ATOM 409 O THR A 126 5.937 -8.351 -6.158 1.00 0.00 O ATOM 410 CB THR A 126 5.042 -9.104 -9.195 1.00 0.00 C ATOM 411 OG1 THR A 126 6.238 -9.514 -9.868 1.00 0.00 O ATOM 412 CG2 THR A 126 3.925 -8.907 -10.209 1.00 0.00 C ATOM 0 H THR A 126 6.780 -6.665 -9.359 1.00 0.00 H new ATOM 0 HA THR A 126 4.365 -7.467 -7.963 1.00 0.00 H new ATOM 0 HB THR A 126 4.738 -9.878 -8.490 1.00 0.00 H new ATOM 0 HG1 THR A 126 6.066 -10.341 -10.366 1.00 0.00 H new ATOM 0 HG21 THR A 126 3.760 -9.837 -10.754 1.00 0.00 H new ATOM 0 HG22 THR A 126 3.009 -8.622 -9.691 1.00 0.00 H new ATOM 0 HG23 THR A 126 4.205 -8.121 -10.910 1.00 0.00 H new ATOM 420 N ALA A 127 7.593 -8.035 -7.649 1.00 0.00 N ATOM 421 CA ALA A 127 8.657 -8.283 -6.684 1.00 0.00 C ATOM 422 C ALA A 127 9.692 -7.164 -6.709 1.00 0.00 C ATOM 423 O ALA A 127 9.574 -6.211 -7.480 1.00 0.00 O ATOM 424 CB ALA A 127 9.320 -9.624 -6.963 1.00 0.00 C ATOM 0 H ALA A 127 7.919 -7.821 -8.591 1.00 0.00 H new ATOM 0 HA ALA A 127 8.213 -8.309 -5.689 1.00 0.00 H new ATOM 0 HB1 ALA A 127 10.113 -9.796 -6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 127 8.578 -10.419 -6.887 1.00 0.00 H new ATOM 0 HB3 ALA A 127 9.744 -9.618 -7.967 1.00 0.00 H new ATOM 430 N CYS A 128 10.707 -7.285 -5.860 1.00 0.00 N ATOM 431 CA CYS A 128 11.764 -6.283 -5.783 1.00 0.00 C ATOM 432 C CYS A 128 13.084 -6.843 -6.304 1.00 0.00 C ATOM 433 O CYS A 128 13.294 -8.056 -6.313 1.00 0.00 O ATOM 434 CB CYS A 128 11.935 -5.801 -4.341 1.00 0.00 C ATOM 435 SG CYS A 128 10.456 -4.997 -3.645 1.00 0.00 S ATOM 0 H CYS A 128 10.820 -8.067 -5.215 1.00 0.00 H new ATOM 0 HA CYS A 128 11.476 -5.439 -6.409 1.00 0.00 H new ATOM 0 HB2 CYS A 128 12.202 -6.652 -3.714 1.00 0.00 H new ATOM 0 HB3 CYS A 128 12.769 -5.101 -4.300 1.00 0.00 H new ATOM 440 N MET A 129 13.970 -5.952 -6.735 1.00 0.00 N ATOM 441 CA MET A 129 15.270 -6.357 -7.256 1.00 0.00 C ATOM 442 C MET A 129 16.399 -5.677 -6.488 1.00 0.00 C ATOM 443 O MET A 129 16.258 -4.543 -6.030 1.00 0.00 O ATOM 444 CB MET A 129 15.375 -6.021 -8.745 1.00 0.00 C ATOM 445 CG MET A 129 16.048 -7.107 -9.568 1.00 0.00 C ATOM 446 SD MET A 129 15.623 -7.017 -11.318 1.00 0.00 S ATOM 447 CE MET A 129 17.214 -6.610 -12.032 1.00 0.00 C ATOM 0 H MET A 129 13.812 -4.944 -6.734 1.00 0.00 H new ATOM 0 HA MET A 129 15.365 -7.435 -7.128 1.00 0.00 H new ATOM 0 HB2 MET A 129 14.375 -5.844 -9.140 1.00 0.00 H new ATOM 0 HB3 MET A 129 15.932 -5.091 -8.861 1.00 0.00 H new ATOM 0 HG2 MET A 129 17.129 -7.025 -9.456 1.00 0.00 H new ATOM 0 HG3 MET A 129 15.761 -8.083 -9.178 1.00 0.00 H new ATOM 0 HE1 MET A 129 17.115 -6.520 -13.114 1.00 0.00 H new ATOM 0 HE2 MET A 129 17.567 -5.664 -11.620 1.00 0.00 H new ATOM 0 HE3 MET A 129 17.930 -7.397 -11.797 1.00 0.00 H new ATOM 457 N THR A 130 17.521 -6.378 -6.350 1.00 0.00 N ATOM 458 CA THR A 130 18.673 -5.842 -5.637 1.00 0.00 C ATOM 459 C THR A 130 19.977 -6.387 -6.210 1.00 0.00 C ATOM 460 O THR A 130 20.436 -7.462 -5.823 1.00 0.00 O ATOM 461 CB THR A 130 18.608 -6.175 -4.134 1.00 0.00 C ATOM 462 OG1 THR A 130 17.498 -5.500 -3.531 1.00 0.00 O ATOM 463 CG2 THR A 130 19.896 -5.769 -3.433 1.00 0.00 C ATOM 0 H THR A 130 17.655 -7.318 -6.723 1.00 0.00 H new ATOM 0 HA THR A 130 18.647 -4.760 -5.764 1.00 0.00 H new ATOM 0 HB THR A 130 18.480 -7.252 -4.028 1.00 0.00 H new ATOM 0 HG1 THR A 130 17.462 -5.718 -2.576 1.00 0.00 H new ATOM 0 HG21 THR A 130 19.826 -6.014 -2.373 1.00 0.00 H new ATOM 0 HG22 THR A 130 20.736 -6.306 -3.875 1.00 0.00 H new ATOM 0 HG23 THR A 130 20.050 -4.696 -3.548 1.00 0.00 H new ATOM 471 N THR A 131 20.570 -5.639 -7.134 1.00 0.00 N ATOM 472 CA THR A 131 21.821 -6.047 -7.761 1.00 0.00 C ATOM 473 C THR A 131 23.022 -5.526 -6.981 1.00 0.00 C ATOM 474 O THR A 131 23.087 -4.346 -6.635 1.00 0.00 O ATOM 475 CB THR A 131 21.910 -5.545 -9.215 1.00 0.00 C ATOM 476 OG1 THR A 131 20.661 -5.754 -9.883 1.00 0.00 O ATOM 477 CG2 THR A 131 23.020 -6.263 -9.968 1.00 0.00 C ATOM 0 H THR A 131 20.204 -4.746 -7.465 1.00 0.00 H new ATOM 0 HA THR A 131 21.835 -7.137 -7.759 1.00 0.00 H new ATOM 0 HB THR A 131 22.137 -4.479 -9.195 1.00 0.00 H new ATOM 0 HG1 THR A 131 20.725 -5.431 -10.806 1.00 0.00 H new ATOM 0 HG21 THR A 131 23.064 -5.892 -10.992 1.00 0.00 H new ATOM 0 HG22 THR A 131 23.974 -6.078 -9.474 1.00 0.00 H new ATOM 0 HG23 THR A 131 22.819 -7.334 -9.978 1.00 0.00 H new ATOM 733 N THR A 148 22.616 -1.712 -8.589 1.00 0.00 N ATOM 734 CA THR A 148 21.666 -0.816 -7.941 1.00 0.00 C ATOM 735 C THR A 148 20.503 -1.593 -7.336 1.00 0.00 C ATOM 736 O THR A 148 20.448 -2.819 -7.427 1.00 0.00 O ATOM 737 CB THR A 148 21.113 0.227 -8.931 1.00 0.00 C ATOM 738 OG1 THR A 148 21.209 -0.270 -10.270 1.00 0.00 O ATOM 739 CG2 THR A 148 21.874 1.539 -8.816 1.00 0.00 C ATOM 0 HA THR A 148 22.207 -0.301 -7.147 1.00 0.00 H new ATOM 0 HB THR A 148 20.067 0.410 -8.686 1.00 0.00 H new ATOM 0 HG1 THR A 148 21.931 -0.931 -10.323 1.00 0.00 H new ATOM 0 HG21 THR A 148 21.466 2.260 -9.525 1.00 0.00 H new ATOM 0 HG22 THR A 148 21.775 1.930 -7.803 1.00 0.00 H new ATOM 0 HG23 THR A 148 22.928 1.369 -9.038 1.00 0.00 H new ATOM 747 N ARG A 149 19.573 -0.871 -6.719 1.00 0.00 N ATOM 748 CA ARG A 149 18.410 -1.493 -6.098 1.00 0.00 C ATOM 749 C ARG A 149 17.117 -0.879 -6.627 1.00 0.00 C ATOM 750 O ARG A 149 16.861 0.310 -6.440 1.00 0.00 O ATOM 751 CB ARG A 149 18.474 -1.341 -4.577 1.00 0.00 C ATOM 752 CG ARG A 149 17.824 -2.488 -3.821 1.00 0.00 C ATOM 753 CD ARG A 149 18.157 -2.439 -2.339 1.00 0.00 C ATOM 754 NE ARG A 149 19.418 -3.111 -2.038 1.00 0.00 N ATOM 755 CZ ARG A 149 19.741 -3.563 -0.832 1.00 0.00 C ATOM 756 NH1 ARG A 149 18.899 -3.416 0.182 1.00 0.00 N ATOM 757 NH2 ARG A 149 20.908 -4.165 -0.637 1.00 0.00 N ATOM 0 H ARG A 149 19.603 0.145 -6.636 1.00 0.00 H new ATOM 0 HA ARG A 149 18.419 -2.553 -6.351 1.00 0.00 H new ATOM 0 HB2 ARG A 149 19.517 -1.262 -4.272 1.00 0.00 H new ATOM 0 HB3 ARG A 149 17.987 -0.408 -4.293 1.00 0.00 H new ATOM 0 HG2 ARG A 149 16.743 -2.446 -3.953 1.00 0.00 H new ATOM 0 HG3 ARG A 149 18.160 -3.437 -4.239 1.00 0.00 H new ATOM 0 HD2 ARG A 149 18.214 -1.400 -2.015 1.00 0.00 H new ATOM 0 HD3 ARG A 149 17.353 -2.907 -1.771 1.00 0.00 H new ATOM 0 HE ARG A 149 20.088 -3.240 -2.796 1.00 0.00 H new ATOM 0 HH11 ARG A 149 18.001 -2.955 0.036 1.00 0.00 H new ATOM 0 HH12 ARG A 149 19.149 -3.764 1.107 1.00 0.00 H new ATOM 0 HH21 ARG A 149 21.558 -4.281 -1.414 1.00 0.00 H new ATOM 0 HH22 ARG A 149 21.154 -4.512 0.290 1.00 0.00 H new ATOM 771 N SER A 150 16.306 -1.699 -7.289 1.00 0.00 N ATOM 772 CA SER A 150 15.042 -1.235 -7.849 1.00 0.00 C ATOM 773 C SER A 150 14.014 -2.362 -7.874 1.00 0.00 C ATOM 774 O SER A 150 14.362 -3.539 -7.768 1.00 0.00 O ATOM 775 CB SER A 150 15.256 -0.693 -9.264 1.00 0.00 C ATOM 776 OG SER A 150 16.170 -1.499 -9.987 1.00 0.00 O ATOM 0 H SER A 150 16.502 -2.687 -7.450 1.00 0.00 H new ATOM 0 HA SER A 150 14.663 -0.434 -7.214 1.00 0.00 H new ATOM 0 HB2 SER A 150 14.302 -0.657 -9.791 1.00 0.00 H new ATOM 0 HB3 SER A 150 15.630 0.329 -9.212 1.00 0.00 H new ATOM 0 HG SER A 150 16.288 -1.132 -10.888 1.00 0.00 H new ATOM 782 N CYS A 151 12.745 -1.993 -8.015 1.00 0.00 N ATOM 783 CA CYS A 151 11.664 -2.970 -8.053 1.00 0.00 C ATOM 784 C CYS A 151 11.723 -3.796 -9.335 1.00 0.00 C ATOM 785 O CYS A 151 12.460 -3.468 -10.265 1.00 0.00 O ATOM 786 CB CYS A 151 10.309 -2.267 -7.949 1.00 0.00 C ATOM 787 SG CYS A 151 10.213 -1.035 -6.611 1.00 0.00 S ATOM 0 H CYS A 151 12.440 -1.024 -8.105 1.00 0.00 H new ATOM 0 HA CYS A 151 11.784 -3.641 -7.202 1.00 0.00 H new ATOM 0 HB2 CYS A 151 10.093 -1.775 -8.898 1.00 0.00 H new ATOM 0 HB3 CYS A 151 9.533 -3.017 -7.795 1.00 0.00 H new ATOM 792 N SER A 152 10.941 -4.870 -9.377 1.00 0.00 N ATOM 793 CA SER A 152 10.906 -5.746 -10.543 1.00 0.00 C ATOM 794 C SER A 152 9.503 -6.304 -10.761 1.00 0.00 C ATOM 795 O SER A 152 8.629 -6.170 -9.904 1.00 0.00 O ATOM 796 CB SER A 152 11.903 -6.893 -10.375 1.00 0.00 C ATOM 797 OG SER A 152 11.881 -7.756 -11.499 1.00 0.00 O ATOM 0 H SER A 152 10.323 -5.155 -8.617 1.00 0.00 H new ATOM 0 HA SER A 152 11.184 -5.158 -11.417 1.00 0.00 H new ATOM 0 HB2 SER A 152 12.907 -6.490 -10.242 1.00 0.00 H new ATOM 0 HB3 SER A 152 11.664 -7.458 -9.474 1.00 0.00 H new ATOM 0 HG SER A 152 12.528 -8.480 -11.368 1.00 0.00 H new ATOM 803 N SER A 153 9.295 -6.932 -11.914 1.00 0.00 N ATOM 804 CA SER A 153 7.998 -7.508 -12.248 1.00 0.00 C ATOM 805 C SER A 153 8.106 -9.018 -12.432 1.00 0.00 C ATOM 806 O SER A 153 7.172 -9.665 -12.906 1.00 0.00 O ATOM 807 CB SER A 153 7.443 -6.865 -13.521 1.00 0.00 C ATOM 808 OG SER A 153 8.439 -6.784 -14.527 1.00 0.00 O ATOM 0 H SER A 153 10.008 -7.055 -12.633 1.00 0.00 H new ATOM 0 HA SER A 153 7.315 -7.308 -11.422 1.00 0.00 H new ATOM 0 HB2 SER A 153 6.598 -7.447 -13.888 1.00 0.00 H new ATOM 0 HB3 SER A 153 7.068 -5.867 -13.295 1.00 0.00 H new ATOM 0 HG SER A 153 8.059 -6.371 -15.331 1.00 0.00 H new ATOM 814 N SER A 154 9.252 -9.574 -12.054 1.00 0.00 N ATOM 815 CA SER A 154 9.485 -11.008 -12.181 1.00 0.00 C ATOM 816 C SER A 154 10.790 -11.409 -11.498 1.00 0.00 C ATOM 817 O SER A 154 11.864 -11.341 -12.097 1.00 0.00 O ATOM 818 CB SER A 154 9.523 -11.412 -13.656 1.00 0.00 C ATOM 819 OG SER A 154 10.177 -10.427 -14.438 1.00 0.00 O ATOM 0 H SER A 154 10.034 -9.053 -11.657 1.00 0.00 H new ATOM 0 HA SER A 154 8.663 -11.529 -11.690 1.00 0.00 H new ATOM 0 HB2 SER A 154 10.039 -12.366 -13.762 1.00 0.00 H new ATOM 0 HB3 SER A 154 8.507 -11.557 -14.023 1.00 0.00 H new ATOM 0 HG SER A 154 11.065 -10.248 -14.063 1.00 0.00 H new ATOM 825 N CYS A 155 10.688 -11.827 -10.241 1.00 0.00 N ATOM 826 CA CYS A 155 11.858 -12.238 -9.475 1.00 0.00 C ATOM 827 C CYS A 155 12.447 -13.531 -10.033 1.00 0.00 C ATOM 828 O CYS A 155 11.942 -14.621 -9.768 1.00 0.00 O ATOM 829 CB CYS A 155 11.489 -12.428 -8.002 1.00 0.00 C ATOM 830 SG CYS A 155 12.751 -13.307 -7.026 1.00 0.00 S ATOM 0 H CYS A 155 9.807 -11.890 -9.731 1.00 0.00 H new ATOM 0 HA CYS A 155 12.609 -11.452 -9.557 1.00 0.00 H new ATOM 0 HB2 CYS A 155 11.314 -11.450 -7.553 1.00 0.00 H new ATOM 0 HB3 CYS A 155 10.550 -12.979 -7.942 1.00 0.00 H new ATOM 835 N VAL A 156 13.519 -13.399 -10.809 1.00 0.00 N ATOM 836 CA VAL A 156 14.178 -14.556 -11.404 1.00 0.00 C ATOM 837 C VAL A 156 15.670 -14.302 -11.590 1.00 0.00 C ATOM 838 O VAL A 156 16.081 -13.209 -11.978 1.00 0.00 O ATOM 839 CB VAL A 156 13.556 -14.917 -12.766 1.00 0.00 C ATOM 840 CG1 VAL A 156 14.274 -16.109 -13.381 1.00 0.00 C ATOM 841 CG2 VAL A 156 12.070 -15.200 -12.613 1.00 0.00 C ATOM 0 H VAL A 156 13.949 -12.503 -11.040 1.00 0.00 H new ATOM 0 HA VAL A 156 14.037 -15.390 -10.716 1.00 0.00 H new ATOM 0 HB VAL A 156 13.673 -14.067 -13.438 1.00 0.00 H new ATOM 0 HG11 VAL A 156 13.821 -16.350 -14.343 1.00 0.00 H new ATOM 0 HG12 VAL A 156 15.326 -15.865 -13.526 1.00 0.00 H new ATOM 0 HG13 VAL A 156 14.190 -16.968 -12.715 1.00 0.00 H new ATOM 0 HG21 VAL A 156 11.646 -15.453 -13.585 1.00 0.00 H new ATOM 0 HG22 VAL A 156 11.927 -16.034 -11.926 1.00 0.00 H new ATOM 0 HG23 VAL A 156 11.570 -14.316 -12.218 1.00 0.00 H new ATOM 987 N LEU A 168 25.292 -10.560 -8.567 1.00 0.00 N ATOM 988 CA LEU A 168 24.361 -11.039 -7.551 1.00 0.00 C ATOM 989 C LEU A 168 22.995 -10.379 -7.710 1.00 0.00 C ATOM 990 O LEU A 168 22.747 -9.303 -7.164 1.00 0.00 O ATOM 991 CB LEU A 168 24.914 -10.762 -6.152 1.00 0.00 C ATOM 992 CG LEU A 168 25.873 -11.812 -5.590 1.00 0.00 C ATOM 993 CD1 LEU A 168 25.117 -13.076 -5.210 1.00 0.00 C ATOM 994 CD2 LEU A 168 26.970 -12.126 -6.596 1.00 0.00 C ATOM 0 HA LEU A 168 24.242 -12.115 -7.681 1.00 0.00 H new ATOM 0 HB2 LEU A 168 25.429 -9.801 -6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 168 24.074 -10.661 -5.465 1.00 0.00 H new ATOM 0 HG LEU A 168 26.338 -11.407 -4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 168 25.816 -13.812 -4.812 1.00 0.00 H new ATOM 0 HD12 LEU A 168 24.369 -12.839 -4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 168 24.624 -13.484 -6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 168 27.643 -12.875 -6.179 1.00 0.00 H new ATOM 0 HD22 LEU A 168 26.524 -12.510 -7.513 1.00 0.00 H new ATOM 0 HD23 LEU A 168 27.531 -11.218 -6.818 1.00 0.00 H new ATOM 1006 N ILE A 169 22.112 -11.030 -8.459 1.00 0.00 N ATOM 1007 CA ILE A 169 20.771 -10.508 -8.687 1.00 0.00 C ATOM 1008 C ILE A 169 19.775 -11.098 -7.694 1.00 0.00 C ATOM 1009 O ILE A 169 19.195 -12.157 -7.936 1.00 0.00 O ATOM 1010 CB ILE A 169 20.287 -10.803 -10.119 1.00 0.00 C ATOM 1011 CG1 ILE A 169 21.350 -10.383 -11.136 1.00 0.00 C ATOM 1012 CG2 ILE A 169 18.972 -10.087 -10.392 1.00 0.00 C ATOM 1013 CD1 ILE A 169 21.916 -11.539 -11.931 1.00 0.00 C ATOM 0 H ILE A 169 22.301 -11.921 -8.919 1.00 0.00 H new ATOM 0 HA ILE A 169 20.825 -9.428 -8.546 1.00 0.00 H new ATOM 0 HB ILE A 169 20.121 -11.876 -10.217 1.00 0.00 H new ATOM 0 HG12 ILE A 169 20.916 -9.657 -11.824 1.00 0.00 H new ATOM 0 HG13 ILE A 169 22.163 -9.880 -10.613 1.00 0.00 H new ATOM 0 HG21 ILE A 169 18.643 -10.305 -11.408 1.00 0.00 H new ATOM 0 HG22 ILE A 169 18.217 -10.430 -9.684 1.00 0.00 H new ATOM 0 HG23 ILE A 169 19.113 -9.012 -10.279 1.00 0.00 H new ATOM 0 HD11 ILE A 169 22.663 -11.167 -12.632 1.00 0.00 H new ATOM 0 HD12 ILE A 169 22.380 -12.255 -11.252 1.00 0.00 H new ATOM 0 HD13 ILE A 169 21.113 -12.029 -12.482 1.00 0.00 H new ATOM 1025 N PHE A 170 19.580 -10.406 -6.577 1.00 0.00 N ATOM 1026 CA PHE A 170 18.654 -10.861 -5.547 1.00 0.00 C ATOM 1027 C PHE A 170 17.285 -10.210 -5.721 1.00 0.00 C ATOM 1028 O PHE A 170 17.179 -9.078 -6.193 1.00 0.00 O ATOM 1029 CB PHE A 170 19.209 -10.545 -4.156 1.00 0.00 C ATOM 1030 CG PHE A 170 20.093 -11.626 -3.604 1.00 0.00 C ATOM 1031 CD1 PHE A 170 19.570 -12.867 -3.276 1.00 0.00 C ATOM 1032 CD2 PHE A 170 21.447 -11.403 -3.414 1.00 0.00 C ATOM 1033 CE1 PHE A 170 20.382 -13.863 -2.766 1.00 0.00 C ATOM 1034 CE2 PHE A 170 22.264 -12.395 -2.906 1.00 0.00 C ATOM 1035 CZ PHE A 170 21.730 -13.627 -2.583 1.00 0.00 C ATOM 0 H PHE A 170 20.051 -9.527 -6.362 1.00 0.00 H new ATOM 0 HA PHE A 170 18.539 -11.940 -5.648 1.00 0.00 H new ATOM 0 HB2 PHE A 170 19.773 -9.613 -4.202 1.00 0.00 H new ATOM 0 HB3 PHE A 170 18.378 -10.381 -3.470 1.00 0.00 H new ATOM 0 HD1 PHE A 170 18.517 -13.058 -3.420 1.00 0.00 H new ATOM 0 HD2 PHE A 170 21.869 -10.442 -3.666 1.00 0.00 H new ATOM 0 HE1 PHE A 170 19.962 -14.825 -2.511 1.00 0.00 H new ATOM 0 HE2 PHE A 170 23.318 -12.207 -2.762 1.00 0.00 H new ATOM 0 HZ PHE A 170 22.366 -14.405 -2.188 1.00 0.00 H new ATOM 1045 N CYS A 171 16.239 -10.933 -5.336 1.00 0.00 N ATOM 1046 CA CYS A 171 14.876 -10.429 -5.449 1.00 0.00 C ATOM 1047 C CYS A 171 13.986 -11.017 -4.357 1.00 0.00 C ATOM 1048 O CYS A 171 14.285 -12.073 -3.799 1.00 0.00 O ATOM 1049 CB CYS A 171 14.299 -10.761 -6.826 1.00 0.00 C ATOM 1050 SG CYS A 171 14.535 -12.495 -7.333 1.00 0.00 S ATOM 0 H CYS A 171 16.310 -11.871 -4.942 1.00 0.00 H new ATOM 0 HA CYS A 171 14.905 -9.346 -5.326 1.00 0.00 H new ATOM 0 HB2 CYS A 171 13.232 -10.536 -6.825 1.00 0.00 H new ATOM 0 HB3 CYS A 171 14.761 -10.110 -7.568 1.00 0.00 H new ATOM 1055 N CYS A 172 12.891 -10.326 -4.058 1.00 0.00 N ATOM 1056 CA CYS A 172 11.957 -10.777 -3.035 1.00 0.00 C ATOM 1057 C CYS A 172 10.539 -10.304 -3.345 1.00 0.00 C ATOM 1058 O CYS A 172 10.327 -9.498 -4.250 1.00 0.00 O ATOM 1059 CB CYS A 172 12.388 -10.265 -1.659 1.00 0.00 C ATOM 1060 SG CYS A 172 12.887 -8.513 -1.641 1.00 0.00 S ATOM 0 H CYS A 172 12.629 -9.450 -4.511 1.00 0.00 H new ATOM 0 HA CYS A 172 11.964 -11.867 -3.028 1.00 0.00 H new ATOM 0 HB2 CYS A 172 11.566 -10.405 -0.957 1.00 0.00 H new ATOM 0 HB3 CYS A 172 13.219 -10.872 -1.301 1.00 0.00 H new ATOM 1065 N PHE A 173 9.573 -10.812 -2.587 1.00 0.00 N ATOM 1066 CA PHE A 173 8.176 -10.442 -2.780 1.00 0.00 C ATOM 1067 C PHE A 173 7.597 -9.822 -1.512 1.00 0.00 C ATOM 1068 O PHE A 173 6.409 -9.969 -1.223 1.00 0.00 O ATOM 1069 CB PHE A 173 7.353 -11.668 -3.184 1.00 0.00 C ATOM 1070 CG PHE A 173 7.589 -12.107 -4.601 1.00 0.00 C ATOM 1071 CD1 PHE A 173 6.893 -11.522 -5.646 1.00 0.00 C ATOM 1072 CD2 PHE A 173 8.506 -13.105 -4.887 1.00 0.00 C ATOM 1073 CE1 PHE A 173 7.107 -11.926 -6.951 1.00 0.00 C ATOM 1074 CE2 PHE A 173 8.725 -13.513 -6.189 1.00 0.00 C ATOM 1075 CZ PHE A 173 8.025 -12.921 -7.223 1.00 0.00 C ATOM 0 H PHE A 173 9.732 -11.481 -1.834 1.00 0.00 H new ATOM 0 HA PHE A 173 8.129 -9.702 -3.579 1.00 0.00 H new ATOM 0 HB2 PHE A 173 7.590 -12.493 -2.512 1.00 0.00 H new ATOM 0 HB3 PHE A 173 6.294 -11.445 -3.053 1.00 0.00 H new ATOM 0 HD1 PHE A 173 6.175 -10.742 -5.439 1.00 0.00 H new ATOM 0 HD2 PHE A 173 9.057 -13.570 -4.083 1.00 0.00 H new ATOM 0 HE1 PHE A 173 6.557 -11.464 -7.757 1.00 0.00 H new ATOM 0 HE2 PHE A 173 9.442 -14.293 -6.398 1.00 0.00 H new ATOM 0 HZ PHE A 173 8.196 -13.236 -8.242 1.00 0.00 H new ATOM 1085 N ARG A 174 8.445 -9.129 -0.759 1.00 0.00 N ATOM 1086 CA ARG A 174 8.018 -8.489 0.480 1.00 0.00 C ATOM 1087 C ARG A 174 8.535 -7.055 0.555 1.00 0.00 C ATOM 1088 O ARG A 174 9.679 -6.777 0.197 1.00 0.00 O ATOM 1089 CB ARG A 174 8.514 -9.285 1.688 1.00 0.00 C ATOM 1090 CG ARG A 174 7.774 -10.595 1.900 1.00 0.00 C ATOM 1091 CD ARG A 174 7.060 -10.621 3.242 1.00 0.00 C ATOM 1092 NE ARG A 174 7.066 -11.953 3.840 1.00 0.00 N ATOM 1093 CZ ARG A 174 6.297 -12.951 3.417 1.00 0.00 C ATOM 1094 NH1 ARG A 174 5.466 -12.768 2.401 1.00 0.00 N ATOM 1095 NH2 ARG A 174 6.359 -14.136 4.012 1.00 0.00 N ATOM 0 H ARG A 174 9.431 -8.996 -0.985 1.00 0.00 H new ATOM 0 HA ARG A 174 6.928 -8.467 0.492 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.577 -9.494 1.563 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.413 -8.671 2.583 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.049 -10.739 1.098 1.00 0.00 H new ATOM 0 HG3 ARG A 174 8.478 -11.425 1.845 1.00 0.00 H new ATOM 0 HD2 ARG A 174 7.540 -9.917 3.921 1.00 0.00 H new ATOM 0 HD3 ARG A 174 6.031 -10.287 3.111 1.00 0.00 H new ATOM 0 HE ARG A 174 7.694 -12.127 4.625 1.00 0.00 H new ATOM 0 HH11 ARG A 174 5.415 -11.859 1.941 1.00 0.00 H new ATOM 0 HH12 ARG A 174 4.877 -13.536 2.079 1.00 0.00 H new ATOM 0 HH21 ARG A 174 6.997 -14.281 4.794 1.00 0.00 H new ATOM 0 HH22 ARG A 174 5.768 -14.901 3.687 1.00 0.00 H new ATOM 1109 N ASP A 175 7.683 -6.149 1.023 1.00 0.00 N ATOM 1110 CA ASP A 175 8.053 -4.743 1.146 1.00 0.00 C ATOM 1111 C ASP A 175 9.261 -4.578 2.063 1.00 0.00 C ATOM 1112 O ASP A 175 9.232 -4.983 3.226 1.00 0.00 O ATOM 1113 CB ASP A 175 6.875 -3.929 1.682 1.00 0.00 C ATOM 1114 CG ASP A 175 5.570 -4.277 0.994 1.00 0.00 C ATOM 1115 OD1 ASP A 175 5.064 -5.397 1.214 1.00 0.00 O ATOM 1116 OD2 ASP A 175 5.054 -3.429 0.235 1.00 0.00 O ATOM 0 H ASP A 175 6.732 -6.363 1.323 1.00 0.00 H new ATOM 0 HA ASP A 175 8.318 -4.374 0.155 1.00 0.00 H new ATOM 0 HB2 ASP A 175 6.775 -4.102 2.753 1.00 0.00 H new ATOM 0 HB3 ASP A 175 7.081 -2.867 1.549 1.00 0.00 H new ATOM 1121 N LEU A 176 10.323 -3.981 1.532 1.00 0.00 N ATOM 1122 CA LEU A 176 11.542 -3.762 2.302 1.00 0.00 C ATOM 1123 C LEU A 176 12.084 -5.079 2.849 1.00 0.00 C ATOM 1124 O LEU A 176 12.601 -5.134 3.965 1.00 0.00 O ATOM 1125 CB LEU A 176 11.275 -2.790 3.452 1.00 0.00 C ATOM 1126 CG LEU A 176 10.419 -1.570 3.114 1.00 0.00 C ATOM 1127 CD1 LEU A 176 10.393 -0.596 4.282 1.00 0.00 C ATOM 1128 CD2 LEU A 176 10.937 -0.885 1.858 1.00 0.00 C ATOM 0 H LEU A 176 10.364 -3.640 0.571 1.00 0.00 H new ATOM 0 HA LEU A 176 12.290 -3.331 1.637 1.00 0.00 H new ATOM 0 HB2 LEU A 176 10.788 -3.338 4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 176 12.233 -2.441 3.836 1.00 0.00 H new ATOM 0 HG LEU A 176 9.400 -1.907 2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 176 9.779 0.266 4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 176 9.974 -1.090 5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 176 11.408 -0.265 4.503 1.00 0.00 H new ATOM 0 HD21 LEU A 176 10.315 -0.019 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 176 11.966 -0.561 2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 176 10.902 -1.583 1.022 1.00 0.00 H new ATOM 1140 N CYS A 177 11.965 -6.138 2.054 1.00 0.00 N ATOM 1141 CA CYS A 177 12.444 -7.454 2.457 1.00 0.00 C ATOM 1142 C CYS A 177 13.896 -7.386 2.921 1.00 0.00 C ATOM 1143 O CYS A 177 14.351 -8.227 3.695 1.00 0.00 O ATOM 1144 CB CYS A 177 12.313 -8.444 1.298 1.00 0.00 C ATOM 1145 SG CYS A 177 13.737 -8.451 0.161 1.00 0.00 S ATOM 0 H CYS A 177 11.541 -6.110 1.127 1.00 0.00 H new ATOM 0 HA CYS A 177 11.831 -7.797 3.290 1.00 0.00 H new ATOM 0 HB2 CYS A 177 12.181 -9.447 1.704 1.00 0.00 H new ATOM 0 HB3 CYS A 177 11.411 -8.208 0.733 1.00 0.00 H new ATOM 1150 N ASN A 178 14.618 -6.379 2.441 1.00 0.00 N ATOM 1151 CA ASN A 178 16.019 -6.201 2.806 1.00 0.00 C ATOM 1152 C ASN A 178 16.364 -4.720 2.933 1.00 0.00 C ATOM 1153 O ASN A 178 16.195 -3.950 1.988 1.00 0.00 O ATOM 1154 CB ASN A 178 16.926 -6.860 1.765 1.00 0.00 C ATOM 1155 CG ASN A 178 16.450 -6.617 0.346 1.00 0.00 C ATOM 1156 OD1 ASN A 178 15.767 -5.631 0.069 1.00 0.00 O ATOM 1157 ND2 ASN A 178 16.809 -7.518 -0.561 1.00 0.00 N ATOM 0 H ASN A 178 14.257 -5.674 1.799 1.00 0.00 H new ATOM 0 HA ASN A 178 16.180 -6.678 3.773 1.00 0.00 H new ATOM 0 HB2 ASN A 178 17.940 -6.476 1.876 1.00 0.00 H new ATOM 0 HB3 ASN A 178 16.969 -7.933 1.952 1.00 0.00 H new ATOM 0 HD21 ASN A 178 16.518 -7.408 -1.532 1.00 0.00 H new ATOM 0 HD22 ASN A 178 17.376 -8.320 -0.286 1.00 0.00 H new