USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=14 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 88:sc= 0.03 USER MOD Set 1.2: A 148 THR OG1 : rot -42:sc= -0.455 USER MOD Set 2.1: A 105 THR OG1 : rot 180:sc= -0.406 USER MOD Set 2.2: A 119 THR OG1 : rot 144:sc= 0.818 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) 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= 0.0618 USER MOD Single : A 117 THR OG1 : rot 30:sc= 0.11 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 -125:sc= 0 (180deg=-0.137) USER MOD Single : A 130 THR OG1 : rot 160:sc= -0.55 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 152 SER OG : rot 180:sc= -0.182 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 SER OG : rot 51:sc= 0.0116 USER MOD Single : A 178 ASN : amide:sc= -2.72! C(o=-2.7!,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 1.614 -0.189 -0.070 1.00 0.00 N ATOM 2 CA MET A 100 2.226 -0.571 -1.337 1.00 0.00 C ATOM 3 C MET A 100 3.605 -1.183 -1.112 1.00 0.00 C ATOM 4 O MET A 100 4.235 -0.956 -0.078 1.00 0.00 O ATOM 5 CB MET A 100 2.339 0.644 -2.260 1.00 0.00 C ATOM 6 CG MET A 100 2.313 0.289 -3.738 1.00 0.00 C ATOM 7 SD MET A 100 0.856 0.934 -4.582 1.00 0.00 S ATOM 8 CE MET A 100 1.574 2.285 -5.512 1.00 0.00 C ATOM 0 HA MET A 100 1.589 -1.319 -1.809 1.00 0.00 H new ATOM 0 HB2 MET A 100 1.520 1.331 -2.045 1.00 0.00 H new ATOM 0 HB3 MET A 100 3.266 1.174 -2.038 1.00 0.00 H new ATOM 0 HG2 MET A 100 3.210 0.682 -4.218 1.00 0.00 H new ATOM 0 HG3 MET A 100 2.342 -0.795 -3.848 1.00 0.00 H new ATOM 0 HE1 MET A 100 0.795 2.785 -6.088 1.00 0.00 H new ATOM 0 HE2 MET A 100 2.031 2.997 -4.825 1.00 0.00 H new ATOM 0 HE3 MET A 100 2.334 1.897 -6.190 1.00 0.00 H new ATOM 18 N LEU A 101 4.068 -1.960 -2.085 1.00 0.00 N ATOM 19 CA LEU A 101 5.373 -2.605 -1.993 1.00 0.00 C ATOM 20 C LEU A 101 6.497 -1.579 -2.099 1.00 0.00 C ATOM 21 O LEU A 101 6.578 -0.829 -3.072 1.00 0.00 O ATOM 22 CB LEU A 101 5.522 -3.657 -3.093 1.00 0.00 C ATOM 23 CG LEU A 101 6.367 -4.882 -2.741 1.00 0.00 C ATOM 24 CD1 LEU A 101 6.948 -5.510 -3.998 1.00 0.00 C ATOM 25 CD2 LEU A 101 7.476 -4.503 -1.770 1.00 0.00 C ATOM 0 H LEU A 101 3.559 -2.159 -2.946 1.00 0.00 H new ATOM 0 HA LEU A 101 5.442 -3.092 -1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.527 -3.997 -3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.960 -3.178 -3.969 1.00 0.00 H new ATOM 0 HG LEU A 101 5.723 -5.617 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.546 -6.380 -3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.138 -5.818 -4.659 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.577 -4.783 -4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.067 -5.387 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.118 -3.750 -2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.038 -4.101 -0.856 1.00 0.00 H new ATOM 37 N LYS A 102 7.364 -1.553 -1.093 1.00 0.00 N ATOM 38 CA LYS A 102 8.486 -0.622 -1.073 1.00 0.00 C ATOM 39 C LYS A 102 9.814 -1.370 -1.136 1.00 0.00 C ATOM 40 O LYS A 102 10.047 -2.308 -0.374 1.00 0.00 O ATOM 41 CB LYS A 102 8.436 0.243 0.188 1.00 0.00 C ATOM 42 CG LYS A 102 7.377 1.331 0.137 1.00 0.00 C ATOM 43 CD LYS A 102 6.343 1.155 1.236 1.00 0.00 C ATOM 44 CE LYS A 102 6.906 1.537 2.597 1.00 0.00 C ATOM 45 NZ LYS A 102 5.829 1.856 3.574 1.00 0.00 N ATOM 0 H LYS A 102 7.311 -2.167 -0.280 1.00 0.00 H new ATOM 0 HA LYS A 102 8.408 0.021 -1.950 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.247 -0.397 1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.412 0.704 0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.852 2.307 0.236 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.883 1.314 -0.835 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.469 1.769 1.017 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.007 0.118 1.258 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.514 0.718 2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.565 2.399 2.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.254 2.111 4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.264 2.654 3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.215 1.026 3.697 1.00 0.00 H new ATOM 59 N CYS A 103 10.683 -0.948 -2.049 1.00 0.00 N ATOM 60 CA CYS A 103 11.989 -1.576 -2.211 1.00 0.00 C ATOM 61 C CYS A 103 13.100 -0.530 -2.208 1.00 0.00 C ATOM 62 O CYS A 103 12.930 0.573 -2.728 1.00 0.00 O ATOM 63 CB CYS A 103 12.033 -2.379 -3.513 1.00 0.00 C ATOM 64 SG CYS A 103 10.492 -3.276 -3.886 1.00 0.00 S ATOM 0 H CYS A 103 10.506 -0.173 -2.688 1.00 0.00 H new ATOM 0 HA CYS A 103 12.147 -2.251 -1.370 1.00 0.00 H new ATOM 0 HB2 CYS A 103 12.255 -1.702 -4.338 1.00 0.00 H new ATOM 0 HB3 CYS A 103 12.853 -3.095 -3.458 1.00 0.00 H new ATOM 69 N TYR A 104 14.236 -0.884 -1.619 1.00 0.00 N ATOM 70 CA TYR A 104 15.375 0.024 -1.546 1.00 0.00 C ATOM 71 C TYR A 104 16.028 0.190 -2.914 1.00 0.00 C ATOM 72 O TYR A 104 17.087 -0.380 -3.184 1.00 0.00 O ATOM 73 CB TYR A 104 16.402 -0.493 -0.537 1.00 0.00 C ATOM 74 CG TYR A 104 16.134 -0.045 0.883 1.00 0.00 C ATOM 75 CD1 TYR A 104 16.230 1.294 1.239 1.00 0.00 C ATOM 76 CD2 TYR A 104 15.787 -0.962 1.867 1.00 0.00 C ATOM 77 CE1 TYR A 104 15.988 1.708 2.534 1.00 0.00 C ATOM 78 CE2 TYR A 104 15.542 -0.557 3.165 1.00 0.00 C ATOM 79 CZ TYR A 104 15.643 0.779 3.494 1.00 0.00 C ATOM 80 OH TYR A 104 15.400 1.186 4.786 1.00 0.00 O ATOM 0 H TYR A 104 14.393 -1.793 -1.185 1.00 0.00 H new ATOM 0 HA TYR A 104 15.011 0.997 -1.217 1.00 0.00 H new ATOM 0 HB2 TYR A 104 16.414 -1.582 -0.569 1.00 0.00 H new ATOM 0 HB3 TYR A 104 17.394 -0.154 -0.835 1.00 0.00 H new ATOM 0 HD1 TYR A 104 16.499 2.024 0.490 1.00 0.00 H new ATOM 0 HD2 TYR A 104 15.707 -2.009 1.613 1.00 0.00 H new ATOM 0 HE1 TYR A 104 16.068 2.753 2.794 1.00 0.00 H new ATOM 0 HE2 TYR A 104 15.273 -1.283 3.918 1.00 0.00 H new ATOM 0 HH TYR A 104 15.168 0.409 5.336 1.00 0.00 H new ATOM 90 N THR A 105 15.390 0.975 -3.776 1.00 0.00 N ATOM 91 CA THR A 105 15.907 1.217 -5.117 1.00 0.00 C ATOM 92 C THR A 105 16.479 2.625 -5.241 1.00 0.00 C ATOM 93 O THR A 105 15.821 3.605 -4.891 1.00 0.00 O ATOM 94 CB THR A 105 14.814 1.023 -6.185 1.00 0.00 C ATOM 95 OG1 THR A 105 14.018 2.209 -6.291 1.00 0.00 O ATOM 96 CG2 THR A 105 13.924 -0.161 -5.839 1.00 0.00 C ATOM 0 H THR A 105 14.514 1.454 -3.569 1.00 0.00 H new ATOM 0 HA THR A 105 16.701 0.489 -5.285 1.00 0.00 H new ATOM 0 HB THR A 105 15.300 0.825 -7.140 1.00 0.00 H new ATOM 0 HG1 THR A 105 13.326 2.079 -6.973 1.00 0.00 H new ATOM 0 HG21 THR A 105 13.160 -0.278 -6.607 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.528 -1.067 -5.786 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.446 0.013 -4.875 1.00 0.00 H new ATOM 104 N CYS A 106 17.706 2.718 -5.740 1.00 0.00 N ATOM 105 CA CYS A 106 18.367 4.007 -5.911 1.00 0.00 C ATOM 106 C CYS A 106 17.915 4.683 -7.202 1.00 0.00 C ATOM 107 O CYS A 106 17.510 4.018 -8.156 1.00 0.00 O ATOM 108 CB CYS A 106 19.886 3.827 -5.921 1.00 0.00 C ATOM 109 SG CYS A 106 20.482 2.603 -7.131 1.00 0.00 S ATOM 0 H CYS A 106 18.264 1.916 -6.034 1.00 0.00 H new ATOM 0 HA CYS A 106 18.089 4.644 -5.072 1.00 0.00 H new ATOM 0 HB2 CYS A 106 20.354 4.789 -6.133 1.00 0.00 H new ATOM 0 HB3 CYS A 106 20.212 3.526 -4.925 1.00 0.00 H new ATOM 0 HG CYS A 106 21.778 2.523 -7.065 1.00 0.00 H new ATOM 262 N THR A 117 17.912 3.352 -1.362 1.00 0.00 N ATOM 263 CA THR A 117 16.940 4.432 -1.245 1.00 0.00 C ATOM 264 C THR A 117 15.515 3.889 -1.233 1.00 0.00 C ATOM 265 O THR A 117 15.149 3.062 -2.068 1.00 0.00 O ATOM 266 CB THR A 117 17.082 5.443 -2.398 1.00 0.00 C ATOM 267 OG1 THR A 117 18.426 5.934 -2.456 1.00 0.00 O ATOM 268 CG2 THR A 117 16.119 6.607 -2.218 1.00 0.00 C ATOM 0 HA THR A 117 17.142 4.938 -0.301 1.00 0.00 H new ATOM 0 HB THR A 117 16.841 4.933 -3.331 1.00 0.00 H new ATOM 0 HG1 THR A 117 19.040 5.246 -2.125 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.237 7.308 -3.044 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.095 6.233 -2.203 1.00 0.00 H new ATOM 0 HG23 THR A 117 16.334 7.115 -1.278 1.00 0.00 H new ATOM 276 N ILE A 118 14.716 4.361 -0.282 1.00 0.00 N ATOM 277 CA ILE A 118 13.330 3.923 -0.163 1.00 0.00 C ATOM 278 C ILE A 118 12.500 4.399 -1.350 1.00 0.00 C ATOM 279 O ILE A 118 12.285 5.598 -1.532 1.00 0.00 O ATOM 280 CB ILE A 118 12.687 4.438 1.138 1.00 0.00 C ATOM 281 CG1 ILE A 118 13.471 3.937 2.353 1.00 0.00 C ATOM 282 CG2 ILE A 118 11.233 3.998 1.221 1.00 0.00 C ATOM 283 CD1 ILE A 118 12.871 4.361 3.676 1.00 0.00 C ATOM 0 H ILE A 118 15.004 5.046 0.417 1.00 0.00 H new ATOM 0 HA ILE A 118 13.343 2.833 -0.145 1.00 0.00 H new ATOM 0 HB ILE A 118 12.717 5.528 1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 118 13.522 2.849 2.319 1.00 0.00 H new ATOM 0 HG13 ILE A 118 14.495 4.307 2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.793 4.370 2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.682 4.399 0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.181 2.909 1.206 1.00 0.00 H new ATOM 0 HD11 ILE A 118 13.478 3.971 4.493 1.00 0.00 H new ATOM 0 HD12 ILE A 118 12.845 5.449 3.731 1.00 0.00 H new ATOM 0 HD13 ILE A 118 11.857 3.969 3.758 1.00 0.00 H new ATOM 295 N THR A 119 12.033 3.451 -2.157 1.00 0.00 N ATOM 296 CA THR A 119 11.225 3.773 -3.327 1.00 0.00 C ATOM 297 C THR A 119 9.940 2.954 -3.349 1.00 0.00 C ATOM 298 O THR A 119 9.922 1.798 -2.926 1.00 0.00 O ATOM 299 CB THR A 119 12.003 3.522 -4.633 1.00 0.00 C ATOM 300 OG1 THR A 119 13.112 4.423 -4.723 1.00 0.00 O ATOM 301 CG2 THR A 119 11.099 3.699 -5.843 1.00 0.00 C ATOM 0 H THR A 119 12.201 2.454 -2.022 1.00 0.00 H new ATOM 0 HA THR A 119 10.977 4.832 -3.259 1.00 0.00 H new ATOM 0 HB THR A 119 12.370 2.496 -4.621 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.869 3.968 -5.147 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.670 3.517 -6.753 1.00 0.00 H new ATOM 0 HG22 THR A 119 10.272 2.992 -5.786 1.00 0.00 H new ATOM 0 HG23 THR A 119 10.706 4.716 -5.858 1.00 0.00 H new ATOM 309 N ARG A 120 8.866 3.560 -3.845 1.00 0.00 N ATOM 310 CA ARG A 120 7.575 2.886 -3.922 1.00 0.00 C ATOM 311 C ARG A 120 7.432 2.136 -5.243 1.00 0.00 C ATOM 312 O ARG A 120 7.527 2.727 -6.319 1.00 0.00 O ATOM 313 CB ARG A 120 6.438 3.898 -3.771 1.00 0.00 C ATOM 314 CG ARG A 120 6.785 5.075 -2.874 1.00 0.00 C ATOM 315 CD ARG A 120 7.171 4.615 -1.477 1.00 0.00 C ATOM 316 NE ARG A 120 6.879 5.629 -0.467 1.00 0.00 N ATOM 317 CZ ARG A 120 7.630 6.706 -0.268 1.00 0.00 C ATOM 318 NH1 ARG A 120 8.712 6.909 -1.005 1.00 0.00 N ATOM 319 NH2 ARG A 120 7.298 7.583 0.671 1.00 0.00 N ATOM 0 H ARG A 120 8.864 4.516 -4.200 1.00 0.00 H new ATOM 0 HA ARG A 120 7.520 2.164 -3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.163 4.272 -4.757 1.00 0.00 H new ATOM 0 HB3 ARG A 120 5.562 3.390 -3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 120 7.608 5.638 -3.313 1.00 0.00 H new ATOM 0 HG3 ARG A 120 5.932 5.751 -2.813 1.00 0.00 H new ATOM 0 HD2 ARG A 120 6.634 3.698 -1.236 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.234 4.377 -1.455 1.00 0.00 H new ATOM 0 HE ARG A 120 6.053 5.503 0.118 1.00 0.00 H new ATOM 0 HH11 ARG A 120 8.970 6.237 -1.728 1.00 0.00 H new ATOM 0 HH12 ARG A 120 9.287 7.737 -0.850 1.00 0.00 H new ATOM 0 HH21 ARG A 120 6.466 7.430 1.240 1.00 0.00 H new ATOM 0 HH22 ARG A 120 7.875 8.410 0.823 1.00 0.00 H new ATOM 333 N CYS A 121 7.202 0.830 -5.153 1.00 0.00 N ATOM 334 CA CYS A 121 7.046 -0.002 -6.340 1.00 0.00 C ATOM 335 C CYS A 121 5.720 0.288 -7.037 1.00 0.00 C ATOM 336 O CYS A 121 4.915 1.085 -6.557 1.00 0.00 O ATOM 337 CB CYS A 121 7.124 -1.483 -5.964 1.00 0.00 C ATOM 338 SG CYS A 121 8.740 -1.997 -5.298 1.00 0.00 S ATOM 0 H CYS A 121 7.120 0.325 -4.270 1.00 0.00 H new ATOM 0 HA CYS A 121 7.857 0.235 -7.028 1.00 0.00 H new ATOM 0 HB2 CYS A 121 6.353 -1.700 -5.225 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.899 -2.083 -6.846 1.00 0.00 H new ATOM 343 N LYS A 122 5.500 -0.366 -8.173 1.00 0.00 N ATOM 344 CA LYS A 122 4.272 -0.181 -8.937 1.00 0.00 C ATOM 345 C LYS A 122 3.168 -1.099 -8.423 1.00 0.00 C ATOM 346 O LYS A 122 3.421 -2.092 -7.740 1.00 0.00 O ATOM 347 CB LYS A 122 4.525 -0.453 -10.422 1.00 0.00 C ATOM 348 CG LYS A 122 5.948 -0.151 -10.862 1.00 0.00 C ATOM 349 CD LYS A 122 6.000 0.299 -12.312 1.00 0.00 C ATOM 350 CE LYS A 122 7.302 1.020 -12.625 1.00 0.00 C ATOM 351 NZ LYS A 122 7.925 0.517 -13.881 1.00 0.00 N ATOM 0 H LYS A 122 6.157 -1.029 -8.585 1.00 0.00 H new ATOM 0 HA LYS A 122 3.949 0.852 -8.813 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.302 -1.499 -10.634 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.835 0.147 -11.015 1.00 0.00 H new ATOM 0 HG2 LYS A 122 6.370 0.625 -10.224 1.00 0.00 H new ATOM 0 HG3 LYS A 122 6.566 -1.040 -10.734 1.00 0.00 H new ATOM 0 HD2 LYS A 122 5.895 -0.566 -12.967 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.158 0.959 -12.520 1.00 0.00 H new ATOM 0 HE2 LYS A 122 7.112 2.089 -12.716 1.00 0.00 H new ATOM 0 HE3 LYS A 122 7.998 0.889 -11.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 8.810 1.033 -14.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 8.129 -0.498 -13.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 7.271 0.665 -14.676 1.00 0.00 H new ATOM 365 N PRO A 123 1.914 -0.763 -8.758 1.00 0.00 N ATOM 366 CA PRO A 123 0.746 -1.545 -8.342 1.00 0.00 C ATOM 367 C PRO A 123 0.675 -2.898 -9.043 1.00 0.00 C ATOM 368 O PRO A 123 0.156 -3.867 -8.490 1.00 0.00 O ATOM 369 CB PRO A 123 -0.436 -0.666 -8.757 1.00 0.00 C ATOM 370 CG PRO A 123 0.086 0.168 -9.875 1.00 0.00 C ATOM 371 CD PRO A 123 1.539 0.407 -9.570 1.00 0.00 C ATOM 0 HA PRO A 123 0.769 -1.777 -7.277 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -1.285 -1.270 -9.077 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -0.779 -0.047 -7.928 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -0.033 -0.342 -10.831 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -0.458 1.110 -9.946 1.00 0.00 H new ATOM 0 HD2 PRO A 123 2.135 0.472 -10.480 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.687 1.339 -9.024 1.00 0.00 H new ATOM 379 N GLU A 124 1.201 -2.956 -10.262 1.00 0.00 N ATOM 380 CA GLU A 124 1.197 -4.191 -11.038 1.00 0.00 C ATOM 381 C GLU A 124 2.233 -5.174 -10.501 1.00 0.00 C ATOM 382 O GLU A 124 2.102 -6.386 -10.673 1.00 0.00 O ATOM 383 CB GLU A 124 1.474 -3.894 -12.513 1.00 0.00 C ATOM 384 CG GLU A 124 2.723 -3.059 -12.741 1.00 0.00 C ATOM 385 CD GLU A 124 3.410 -3.383 -14.053 1.00 0.00 C ATOM 386 OE1 GLU A 124 2.816 -3.107 -15.117 1.00 0.00 O ATOM 387 OE2 GLU A 124 4.540 -3.911 -14.017 1.00 0.00 O ATOM 0 H GLU A 124 1.635 -2.163 -10.734 1.00 0.00 H new ATOM 0 HA GLU A 124 0.210 -4.645 -10.946 1.00 0.00 H new ATOM 0 HB2 GLU A 124 1.573 -4.836 -13.052 1.00 0.00 H new ATOM 0 HB3 GLU A 124 0.616 -3.373 -12.937 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.457 -2.002 -12.726 1.00 0.00 H new ATOM 0 HG3 GLU A 124 3.420 -3.224 -11.920 1.00 0.00 H new ATOM 394 N ASP A 125 3.263 -4.642 -9.852 1.00 0.00 N ATOM 395 CA ASP A 125 4.323 -5.472 -9.290 1.00 0.00 C ATOM 396 C ASP A 125 3.821 -6.245 -8.074 1.00 0.00 C ATOM 397 O ASP A 125 2.661 -6.119 -7.680 1.00 0.00 O ATOM 398 CB ASP A 125 5.523 -4.608 -8.899 1.00 0.00 C ATOM 399 CG ASP A 125 6.521 -4.458 -10.031 1.00 0.00 C ATOM 400 OD1 ASP A 125 6.316 -5.088 -11.089 1.00 0.00 O ATOM 401 OD2 ASP A 125 7.507 -3.711 -9.857 1.00 0.00 O ATOM 0 H ASP A 125 3.387 -3.641 -9.702 1.00 0.00 H new ATOM 0 HA ASP A 125 4.632 -6.188 -10.052 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.173 -3.622 -8.594 1.00 0.00 H new ATOM 0 HB3 ASP A 125 6.020 -5.051 -8.036 1.00 0.00 H new ATOM 406 N THR A 126 4.701 -7.048 -7.485 1.00 0.00 N ATOM 407 CA THR A 126 4.347 -7.844 -6.317 1.00 0.00 C ATOM 408 C THR A 126 5.562 -8.090 -5.430 1.00 0.00 C ATOM 409 O THR A 126 5.462 -8.071 -4.204 1.00 0.00 O ATOM 410 CB THR A 126 3.739 -9.200 -6.724 1.00 0.00 C ATOM 411 OG1 THR A 126 4.649 -9.910 -7.571 1.00 0.00 O ATOM 412 CG2 THR A 126 2.414 -9.005 -7.445 1.00 0.00 C ATOM 0 H THR A 126 5.665 -7.164 -7.798 1.00 0.00 H new ATOM 0 HA THR A 126 3.604 -7.274 -5.760 1.00 0.00 H new ATOM 0 HB THR A 126 3.559 -9.779 -5.818 1.00 0.00 H new ATOM 0 HG1 THR A 126 4.256 -10.771 -7.824 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.004 -9.976 -7.722 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.714 -8.490 -6.787 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.573 -8.408 -8.343 1.00 0.00 H new ATOM 420 N ALA A 127 6.710 -8.322 -6.059 1.00 0.00 N ATOM 421 CA ALA A 127 7.946 -8.569 -5.326 1.00 0.00 C ATOM 422 C ALA A 127 9.036 -7.587 -5.741 1.00 0.00 C ATOM 423 O ALA A 127 8.837 -6.763 -6.635 1.00 0.00 O ATOM 424 CB ALA A 127 8.411 -10.001 -5.544 1.00 0.00 C ATOM 0 H ALA A 127 6.810 -8.344 -7.074 1.00 0.00 H new ATOM 0 HA ALA A 127 7.746 -8.421 -4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 127 9.335 -10.172 -4.991 1.00 0.00 H new ATOM 0 HB2 ALA A 127 7.644 -10.690 -5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 127 8.588 -10.168 -6.606 1.00 0.00 H new ATOM 430 N CYS A 128 10.189 -7.679 -5.087 1.00 0.00 N ATOM 431 CA CYS A 128 11.312 -6.798 -5.388 1.00 0.00 C ATOM 432 C CYS A 128 12.466 -7.580 -6.008 1.00 0.00 C ATOM 433 O CYS A 128 12.532 -8.804 -5.894 1.00 0.00 O ATOM 434 CB CYS A 128 11.785 -6.090 -4.117 1.00 0.00 C ATOM 435 SG CYS A 128 10.490 -5.123 -3.277 1.00 0.00 S ATOM 0 H CYS A 128 10.371 -8.355 -4.345 1.00 0.00 H new ATOM 0 HA CYS A 128 10.975 -6.052 -6.108 1.00 0.00 H new ATOM 0 HB2 CYS A 128 12.175 -6.835 -3.423 1.00 0.00 H new ATOM 0 HB3 CYS A 128 12.612 -5.427 -4.370 1.00 0.00 H new ATOM 440 N MET A 129 13.373 -6.865 -6.664 1.00 0.00 N ATOM 441 CA MET A 129 14.526 -7.491 -7.301 1.00 0.00 C ATOM 442 C MET A 129 15.812 -6.750 -6.947 1.00 0.00 C ATOM 443 O MET A 129 15.789 -5.559 -6.637 1.00 0.00 O ATOM 444 CB MET A 129 14.342 -7.522 -8.819 1.00 0.00 C ATOM 445 CG MET A 129 14.794 -8.825 -9.460 1.00 0.00 C ATOM 446 SD MET A 129 14.764 -8.760 -11.261 1.00 0.00 S ATOM 447 CE MET A 129 16.212 -7.756 -11.588 1.00 0.00 C ATOM 0 H MET A 129 13.332 -5.851 -6.769 1.00 0.00 H new ATOM 0 HA MET A 129 14.604 -8.513 -6.931 1.00 0.00 H new ATOM 0 HB2 MET A 129 13.290 -7.357 -9.053 1.00 0.00 H new ATOM 0 HB3 MET A 129 14.900 -6.696 -9.261 1.00 0.00 H new ATOM 0 HG2 MET A 129 15.805 -9.058 -9.126 1.00 0.00 H new ATOM 0 HG3 MET A 129 14.150 -9.636 -9.119 1.00 0.00 H new ATOM 0 HE1 MET A 129 15.930 -6.899 -12.200 1.00 0.00 H new ATOM 0 HE2 MET A 129 16.632 -7.406 -10.645 1.00 0.00 H new ATOM 0 HE3 MET A 129 16.956 -8.352 -12.118 1.00 0.00 H new ATOM 457 N THR A 130 16.933 -7.464 -6.996 1.00 0.00 N ATOM 458 CA THR A 130 18.227 -6.874 -6.679 1.00 0.00 C ATOM 459 C THR A 130 19.332 -7.479 -7.539 1.00 0.00 C ATOM 460 O THR A 130 19.484 -8.699 -7.605 1.00 0.00 O ATOM 461 CB THR A 130 18.585 -7.068 -5.194 1.00 0.00 C ATOM 462 OG1 THR A 130 17.413 -6.918 -4.384 1.00 0.00 O ATOM 463 CG2 THR A 130 19.642 -6.065 -4.756 1.00 0.00 C ATOM 0 H THR A 130 16.970 -8.451 -7.252 1.00 0.00 H new ATOM 0 HA THR A 130 18.148 -5.807 -6.889 1.00 0.00 H new ATOM 0 HB THR A 130 18.987 -8.073 -5.068 1.00 0.00 H new ATOM 0 HG1 THR A 130 17.560 -7.344 -3.514 1.00 0.00 H new ATOM 0 HG21 THR A 130 19.878 -6.222 -3.704 1.00 0.00 H new ATOM 0 HG22 THR A 130 20.543 -6.201 -5.354 1.00 0.00 H new ATOM 0 HG23 THR A 130 19.263 -5.053 -4.896 1.00 0.00 H new ATOM 471 N THR A 131 20.102 -6.618 -8.197 1.00 0.00 N ATOM 472 CA THR A 131 21.192 -7.068 -9.053 1.00 0.00 C ATOM 473 C THR A 131 22.536 -6.942 -8.343 1.00 0.00 C ATOM 474 O THR A 131 23.015 -5.836 -8.090 1.00 0.00 O ATOM 475 CB THR A 131 21.242 -6.266 -10.367 1.00 0.00 C ATOM 476 OG1 THR A 131 20.030 -6.458 -11.105 1.00 0.00 O ATOM 477 CG2 THR A 131 22.431 -6.691 -11.216 1.00 0.00 C ATOM 0 H THR A 131 19.991 -5.605 -8.153 1.00 0.00 H new ATOM 0 HA THR A 131 21.002 -8.116 -9.283 1.00 0.00 H new ATOM 0 HB THR A 131 21.352 -5.211 -10.118 1.00 0.00 H new ATOM 0 HG1 THR A 131 19.367 -5.794 -10.823 1.00 0.00 H new ATOM 0 HG21 THR A 131 22.445 -6.111 -12.139 1.00 0.00 H new ATOM 0 HG22 THR A 131 23.354 -6.516 -10.663 1.00 0.00 H new ATOM 0 HG23 THR A 131 22.347 -7.751 -11.455 1.00 0.00 H new ATOM 733 N THR A 148 22.166 -2.790 -9.079 1.00 0.00 N ATOM 734 CA THR A 148 20.920 -2.194 -9.543 1.00 0.00 C ATOM 735 C THR A 148 19.713 -2.910 -8.949 1.00 0.00 C ATOM 736 O THR A 148 19.401 -4.040 -9.326 1.00 0.00 O ATOM 737 CB THR A 148 20.818 -2.230 -11.080 1.00 0.00 C ATOM 738 OG1 THR A 148 21.378 -3.449 -11.580 1.00 0.00 O ATOM 739 CG2 THR A 148 21.541 -1.043 -11.698 1.00 0.00 C ATOM 0 HA THR A 148 20.924 -1.156 -9.210 1.00 0.00 H new ATOM 0 HB THR A 148 19.764 -2.176 -11.353 1.00 0.00 H new ATOM 0 HG1 THR A 148 22.202 -3.655 -11.091 1.00 0.00 H new ATOM 0 HG21 THR A 148 21.455 -1.090 -12.784 1.00 0.00 H new ATOM 0 HG22 THR A 148 21.093 -0.117 -11.338 1.00 0.00 H new ATOM 0 HG23 THR A 148 22.593 -1.071 -11.416 1.00 0.00 H new ATOM 747 N ARG A 149 19.036 -2.245 -8.017 1.00 0.00 N ATOM 748 CA ARG A 149 17.863 -2.820 -7.370 1.00 0.00 C ATOM 749 C ARG A 149 16.580 -2.229 -7.947 1.00 0.00 C ATOM 750 O ARG A 149 16.406 -1.010 -7.982 1.00 0.00 O ATOM 751 CB ARG A 149 17.916 -2.575 -5.861 1.00 0.00 C ATOM 752 CG ARG A 149 17.241 -3.664 -5.043 1.00 0.00 C ATOM 753 CD ARG A 149 17.681 -3.622 -3.588 1.00 0.00 C ATOM 754 NE ARG A 149 17.105 -4.716 -2.810 1.00 0.00 N ATOM 755 CZ ARG A 149 15.869 -4.701 -2.325 1.00 0.00 C ATOM 756 NH1 ARG A 149 15.083 -3.655 -2.536 1.00 0.00 N ATOM 757 NH2 ARG A 149 15.417 -5.735 -1.626 1.00 0.00 N ATOM 0 H ARG A 149 19.280 -1.309 -7.694 1.00 0.00 H new ATOM 0 HA ARG A 149 17.865 -3.894 -7.558 1.00 0.00 H new ATOM 0 HB2 ARG A 149 18.958 -2.493 -5.551 1.00 0.00 H new ATOM 0 HB3 ARG A 149 17.441 -1.619 -5.640 1.00 0.00 H new ATOM 0 HG2 ARG A 149 16.159 -3.546 -5.100 1.00 0.00 H new ATOM 0 HG3 ARG A 149 17.478 -4.639 -5.468 1.00 0.00 H new ATOM 0 HD2 ARG A 149 18.769 -3.674 -3.537 1.00 0.00 H new ATOM 0 HD3 ARG A 149 17.386 -2.670 -3.148 1.00 0.00 H new ATOM 0 HE ARG A 149 17.684 -5.536 -2.629 1.00 0.00 H new ATOM 0 HH11 ARG A 149 15.427 -2.858 -3.072 1.00 0.00 H new ATOM 0 HH12 ARG A 149 14.134 -3.647 -2.162 1.00 0.00 H new ATOM 0 HH21 ARG A 149 16.019 -6.542 -1.461 1.00 0.00 H new ATOM 0 HH22 ARG A 149 14.467 -5.723 -1.254 1.00 0.00 H new ATOM 771 N SER A 150 15.684 -3.100 -8.400 1.00 0.00 N ATOM 772 CA SER A 150 14.419 -2.665 -8.980 1.00 0.00 C ATOM 773 C SER A 150 13.294 -3.627 -8.613 1.00 0.00 C ATOM 774 O SER A 150 13.531 -4.806 -8.346 1.00 0.00 O ATOM 775 CB SER A 150 14.541 -2.560 -10.502 1.00 0.00 C ATOM 776 OG SER A 150 14.908 -3.805 -11.071 1.00 0.00 O ATOM 0 H SER A 150 15.811 -4.112 -8.376 1.00 0.00 H new ATOM 0 HA SER A 150 14.180 -1.682 -8.573 1.00 0.00 H new ATOM 0 HB2 SER A 150 13.592 -2.229 -10.924 1.00 0.00 H new ATOM 0 HB3 SER A 150 15.285 -1.806 -10.759 1.00 0.00 H new ATOM 0 HG SER A 150 14.978 -3.712 -12.044 1.00 0.00 H new ATOM 782 N CYS A 151 12.067 -3.116 -8.602 1.00 0.00 N ATOM 783 CA CYS A 151 10.903 -3.928 -8.268 1.00 0.00 C ATOM 784 C CYS A 151 10.635 -4.968 -9.353 1.00 0.00 C ATOM 785 O CYS A 151 11.189 -4.892 -10.450 1.00 0.00 O ATOM 786 CB CYS A 151 9.672 -3.039 -8.083 1.00 0.00 C ATOM 787 SG CYS A 151 9.945 -1.609 -6.989 1.00 0.00 S ATOM 0 H CYS A 151 11.853 -2.143 -8.821 1.00 0.00 H new ATOM 0 HA CYS A 151 11.111 -4.449 -7.334 1.00 0.00 H new ATOM 0 HB2 CYS A 151 9.347 -2.679 -9.059 1.00 0.00 H new ATOM 0 HB3 CYS A 151 8.859 -3.642 -7.679 1.00 0.00 H new ATOM 792 N SER A 152 9.783 -5.938 -9.038 1.00 0.00 N ATOM 793 CA SER A 152 9.444 -6.995 -9.983 1.00 0.00 C ATOM 794 C SER A 152 8.025 -7.501 -9.746 1.00 0.00 C ATOM 795 O SER A 152 7.394 -7.167 -8.743 1.00 0.00 O ATOM 796 CB SER A 152 10.437 -8.152 -9.865 1.00 0.00 C ATOM 797 OG SER A 152 10.134 -9.181 -10.790 1.00 0.00 O ATOM 0 H SER A 152 9.315 -6.014 -8.135 1.00 0.00 H new ATOM 0 HA SER A 152 9.500 -6.580 -10.989 1.00 0.00 H new ATOM 0 HB2 SER A 152 11.449 -7.786 -10.042 1.00 0.00 H new ATOM 0 HB3 SER A 152 10.415 -8.552 -8.851 1.00 0.00 H new ATOM 0 HG SER A 152 10.784 -9.908 -10.695 1.00 0.00 H new ATOM 803 N SER A 153 7.528 -8.310 -10.677 1.00 0.00 N ATOM 804 CA SER A 153 6.182 -8.861 -10.572 1.00 0.00 C ATOM 805 C SER A 153 6.222 -10.384 -10.504 1.00 0.00 C ATOM 806 O SER A 153 5.196 -11.050 -10.643 1.00 0.00 O ATOM 807 CB SER A 153 5.331 -8.414 -11.762 1.00 0.00 C ATOM 808 OG SER A 153 6.087 -8.422 -12.961 1.00 0.00 O ATOM 0 H SER A 153 8.038 -8.598 -11.512 1.00 0.00 H new ATOM 0 HA SER A 153 5.733 -8.486 -9.652 1.00 0.00 H new ATOM 0 HB2 SER A 153 4.471 -9.075 -11.866 1.00 0.00 H new ATOM 0 HB3 SER A 153 4.943 -7.412 -11.580 1.00 0.00 H new ATOM 0 HG SER A 153 5.520 -8.134 -13.707 1.00 0.00 H new ATOM 814 N SER A 154 7.415 -10.930 -10.291 1.00 0.00 N ATOM 815 CA SER A 154 7.592 -12.375 -10.209 1.00 0.00 C ATOM 816 C SER A 154 9.008 -12.725 -9.764 1.00 0.00 C ATOM 817 O SER A 154 9.922 -12.824 -10.583 1.00 0.00 O ATOM 818 CB SER A 154 7.295 -13.024 -11.562 1.00 0.00 C ATOM 819 OG SER A 154 7.810 -12.243 -12.626 1.00 0.00 O ATOM 0 H SER A 154 8.274 -10.393 -10.172 1.00 0.00 H new ATOM 0 HA SER A 154 6.892 -12.760 -9.468 1.00 0.00 H new ATOM 0 HB2 SER A 154 7.733 -14.022 -11.594 1.00 0.00 H new ATOM 0 HB3 SER A 154 6.218 -13.144 -11.683 1.00 0.00 H new ATOM 0 HG SER A 154 8.750 -12.028 -12.449 1.00 0.00 H new ATOM 825 N CYS A 155 9.183 -12.912 -8.460 1.00 0.00 N ATOM 826 CA CYS A 155 10.487 -13.251 -7.904 1.00 0.00 C ATOM 827 C CYS A 155 10.910 -14.655 -8.324 1.00 0.00 C ATOM 828 O CYS A 155 10.385 -15.650 -7.822 1.00 0.00 O ATOM 829 CB CYS A 155 10.455 -13.151 -6.377 1.00 0.00 C ATOM 830 SG CYS A 155 11.792 -14.066 -5.544 1.00 0.00 S ATOM 0 H CYS A 155 8.437 -12.834 -7.768 1.00 0.00 H new ATOM 0 HA CYS A 155 11.216 -12.540 -8.293 1.00 0.00 H new ATOM 0 HB2 CYS A 155 10.515 -12.101 -6.091 1.00 0.00 H new ATOM 0 HB3 CYS A 155 9.496 -13.525 -6.019 1.00 0.00 H new ATOM 835 N VAL A 156 11.863 -14.729 -9.248 1.00 0.00 N ATOM 836 CA VAL A 156 12.357 -16.011 -9.736 1.00 0.00 C ATOM 837 C VAL A 156 13.814 -15.907 -10.173 1.00 0.00 C ATOM 838 O VAL A 156 14.137 -15.202 -11.128 1.00 0.00 O ATOM 839 CB VAL A 156 11.514 -16.526 -10.917 1.00 0.00 C ATOM 840 CG1 VAL A 156 10.138 -16.967 -10.439 1.00 0.00 C ATOM 841 CG2 VAL A 156 11.396 -15.457 -11.993 1.00 0.00 C ATOM 0 H VAL A 156 12.308 -13.916 -9.674 1.00 0.00 H new ATOM 0 HA VAL A 156 12.277 -16.716 -8.909 1.00 0.00 H new ATOM 0 HB VAL A 156 12.017 -17.391 -11.350 1.00 0.00 H new ATOM 0 HG11 VAL A 156 9.556 -17.328 -11.287 1.00 0.00 H new ATOM 0 HG12 VAL A 156 10.246 -17.767 -9.707 1.00 0.00 H new ATOM 0 HG13 VAL A 156 9.624 -16.122 -9.980 1.00 0.00 H new ATOM 0 HG21 VAL A 156 10.797 -15.838 -12.820 1.00 0.00 H new ATOM 0 HG22 VAL A 156 10.917 -14.572 -11.575 1.00 0.00 H new ATOM 0 HG23 VAL A 156 12.390 -15.194 -12.356 1.00 0.00 H new ATOM 987 N LEU A 168 23.891 -12.636 -9.474 1.00 0.00 N ATOM 988 CA LEU A 168 23.173 -12.772 -8.212 1.00 0.00 C ATOM 989 C LEU A 168 21.893 -11.944 -8.221 1.00 0.00 C ATOM 990 O LEU A 168 21.889 -10.784 -7.809 1.00 0.00 O ATOM 991 CB LEU A 168 24.065 -12.340 -7.046 1.00 0.00 C ATOM 992 CG LEU A 168 24.994 -13.413 -6.478 1.00 0.00 C ATOM 993 CD1 LEU A 168 24.219 -14.375 -5.590 1.00 0.00 C ATOM 994 CD2 LEU A 168 25.690 -14.166 -7.603 1.00 0.00 C ATOM 0 HA LEU A 168 22.904 -13.821 -8.087 1.00 0.00 H new ATOM 0 HB2 LEU A 168 24.674 -11.497 -7.373 1.00 0.00 H new ATOM 0 HB3 LEU A 168 23.426 -11.978 -6.241 1.00 0.00 H new ATOM 0 HG LEU A 168 25.755 -12.923 -5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 168 24.897 -15.132 -5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 168 23.768 -13.825 -4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 168 23.436 -14.859 -6.174 1.00 0.00 H new ATOM 0 HD21 LEU A 168 26.347 -14.926 -7.180 1.00 0.00 H new ATOM 0 HD22 LEU A 168 24.943 -14.644 -8.237 1.00 0.00 H new ATOM 0 HD23 LEU A 168 26.278 -13.468 -8.198 1.00 0.00 H new ATOM 1006 N ILE A 169 20.807 -12.548 -8.693 1.00 0.00 N ATOM 1007 CA ILE A 169 19.520 -11.867 -8.753 1.00 0.00 C ATOM 1008 C ILE A 169 18.654 -12.222 -7.548 1.00 0.00 C ATOM 1009 O ILE A 169 17.961 -13.239 -7.546 1.00 0.00 O ATOM 1010 CB ILE A 169 18.755 -12.221 -10.042 1.00 0.00 C ATOM 1011 CG1 ILE A 169 19.565 -11.803 -11.271 1.00 0.00 C ATOM 1012 CG2 ILE A 169 17.389 -11.552 -10.048 1.00 0.00 C ATOM 1013 CD1 ILE A 169 19.932 -10.336 -11.283 1.00 0.00 C ATOM 0 H ILE A 169 20.793 -13.507 -9.039 1.00 0.00 H new ATOM 0 HA ILE A 169 19.728 -10.797 -8.746 1.00 0.00 H new ATOM 0 HB ILE A 169 18.608 -13.301 -10.076 1.00 0.00 H new ATOM 0 HG12 ILE A 169 20.477 -12.398 -11.314 1.00 0.00 H new ATOM 0 HG13 ILE A 169 18.992 -12.033 -12.169 1.00 0.00 H new ATOM 0 HG21 ILE A 169 16.861 -11.812 -10.965 1.00 0.00 H new ATOM 0 HG22 ILE A 169 16.813 -11.894 -9.188 1.00 0.00 H new ATOM 0 HG23 ILE A 169 17.513 -10.470 -9.995 1.00 0.00 H new ATOM 0 HD11 ILE A 169 20.505 -10.112 -12.183 1.00 0.00 H new ATOM 0 HD12 ILE A 169 19.024 -9.734 -11.272 1.00 0.00 H new ATOM 0 HD13 ILE A 169 20.532 -10.104 -10.403 1.00 0.00 H new ATOM 1025 N PHE A 170 18.697 -11.374 -6.526 1.00 0.00 N ATOM 1026 CA PHE A 170 17.916 -11.597 -5.315 1.00 0.00 C ATOM 1027 C PHE A 170 16.539 -10.948 -5.428 1.00 0.00 C ATOM 1028 O PHE A 170 16.365 -9.953 -6.133 1.00 0.00 O ATOM 1029 CB PHE A 170 18.655 -11.040 -4.096 1.00 0.00 C ATOM 1030 CG PHE A 170 19.559 -12.041 -3.435 1.00 0.00 C ATOM 1031 CD1 PHE A 170 19.051 -13.228 -2.932 1.00 0.00 C ATOM 1032 CD2 PHE A 170 20.917 -11.795 -3.316 1.00 0.00 C ATOM 1033 CE1 PHE A 170 19.880 -14.151 -2.323 1.00 0.00 C ATOM 1034 CE2 PHE A 170 21.752 -12.714 -2.708 1.00 0.00 C ATOM 1035 CZ PHE A 170 21.232 -13.893 -2.211 1.00 0.00 C ATOM 0 H PHE A 170 19.264 -10.526 -6.512 1.00 0.00 H new ATOM 0 HA PHE A 170 17.783 -12.672 -5.192 1.00 0.00 H new ATOM 0 HB2 PHE A 170 19.245 -10.176 -4.402 1.00 0.00 H new ATOM 0 HB3 PHE A 170 17.925 -10.686 -3.369 1.00 0.00 H new ATOM 0 HD1 PHE A 170 17.994 -13.434 -3.017 1.00 0.00 H new ATOM 0 HD2 PHE A 170 21.328 -10.874 -3.703 1.00 0.00 H new ATOM 0 HE1 PHE A 170 19.471 -15.072 -1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 170 22.809 -12.510 -2.622 1.00 0.00 H new ATOM 0 HZ PHE A 170 21.882 -14.612 -1.735 1.00 0.00 H new ATOM 1045 N CYS A 171 15.563 -11.520 -4.731 1.00 0.00 N ATOM 1046 CA CYS A 171 14.201 -11.000 -4.753 1.00 0.00 C ATOM 1047 C CYS A 171 13.481 -11.306 -3.443 1.00 0.00 C ATOM 1048 O CYS A 171 13.840 -12.242 -2.728 1.00 0.00 O ATOM 1049 CB CYS A 171 13.424 -11.597 -5.927 1.00 0.00 C ATOM 1050 SG CYS A 171 13.556 -13.410 -6.061 1.00 0.00 S ATOM 0 H CYS A 171 15.690 -12.344 -4.144 1.00 0.00 H new ATOM 0 HA CYS A 171 14.253 -9.918 -4.874 1.00 0.00 H new ATOM 0 HB2 CYS A 171 12.373 -11.326 -5.828 1.00 0.00 H new ATOM 0 HB3 CYS A 171 13.783 -11.148 -6.853 1.00 0.00 H new ATOM 1055 N CYS A 172 12.462 -10.511 -3.135 1.00 0.00 N ATOM 1056 CA CYS A 172 11.690 -10.696 -1.912 1.00 0.00 C ATOM 1057 C CYS A 172 10.257 -10.204 -2.093 1.00 0.00 C ATOM 1058 O CYS A 172 9.942 -9.522 -3.069 1.00 0.00 O ATOM 1059 CB CYS A 172 12.352 -9.955 -0.749 1.00 0.00 C ATOM 1060 SG CYS A 172 12.950 -8.287 -1.174 1.00 0.00 S ATOM 0 H CYS A 172 12.151 -9.732 -3.716 1.00 0.00 H new ATOM 0 HA CYS A 172 11.664 -11.762 -1.687 1.00 0.00 H new ATOM 0 HB2 CYS A 172 11.638 -9.875 0.071 1.00 0.00 H new ATOM 0 HB3 CYS A 172 13.191 -10.548 -0.385 1.00 0.00 H new ATOM 1065 N PHE A 173 9.393 -10.553 -1.147 1.00 0.00 N ATOM 1066 CA PHE A 173 7.993 -10.148 -1.202 1.00 0.00 C ATOM 1067 C PHE A 173 7.619 -9.317 0.023 1.00 0.00 C ATOM 1068 O PHE A 173 6.458 -9.284 0.432 1.00 0.00 O ATOM 1069 CB PHE A 173 7.087 -11.377 -1.294 1.00 0.00 C ATOM 1070 CG PHE A 173 6.880 -11.865 -2.700 1.00 0.00 C ATOM 1071 CD1 PHE A 173 5.937 -11.269 -3.522 1.00 0.00 C ATOM 1072 CD2 PHE A 173 7.628 -12.918 -3.199 1.00 0.00 C ATOM 1073 CE1 PHE A 173 5.744 -11.716 -4.815 1.00 0.00 C ATOM 1074 CE2 PHE A 173 7.440 -13.370 -4.492 1.00 0.00 C ATOM 1075 CZ PHE A 173 6.497 -12.767 -5.301 1.00 0.00 C ATOM 0 H PHE A 173 9.637 -11.116 -0.332 1.00 0.00 H new ATOM 0 HA PHE A 173 7.853 -9.535 -2.092 1.00 0.00 H new ATOM 0 HB2 PHE A 173 7.518 -12.182 -0.698 1.00 0.00 H new ATOM 0 HB3 PHE A 173 6.119 -11.138 -0.854 1.00 0.00 H new ATOM 0 HD1 PHE A 173 5.346 -10.446 -3.148 1.00 0.00 H new ATOM 0 HD2 PHE A 173 8.367 -13.392 -2.570 1.00 0.00 H new ATOM 0 HE1 PHE A 173 5.005 -11.244 -5.445 1.00 0.00 H new ATOM 0 HE2 PHE A 173 8.029 -14.193 -4.869 1.00 0.00 H new ATOM 0 HZ PHE A 173 6.349 -13.117 -6.312 1.00 0.00 H new ATOM 1085 N ARG A 174 8.611 -8.649 0.603 1.00 0.00 N ATOM 1086 CA ARG A 174 8.387 -7.820 1.781 1.00 0.00 C ATOM 1087 C ARG A 174 8.995 -6.433 1.593 1.00 0.00 C ATOM 1088 O ARG A 174 10.103 -6.295 1.075 1.00 0.00 O ATOM 1089 CB ARG A 174 8.985 -8.487 3.021 1.00 0.00 C ATOM 1090 CG ARG A 174 8.205 -9.703 3.494 1.00 0.00 C ATOM 1091 CD ARG A 174 8.508 -10.028 4.948 1.00 0.00 C ATOM 1092 NE ARG A 174 8.162 -11.407 5.285 1.00 0.00 N ATOM 1093 CZ ARG A 174 8.321 -11.930 6.495 1.00 0.00 C ATOM 1094 NH1 ARG A 174 8.816 -11.192 7.480 1.00 0.00 N ATOM 1095 NH2 ARG A 174 7.983 -13.192 6.724 1.00 0.00 N ATOM 0 H ARG A 174 9.577 -8.666 0.276 1.00 0.00 H new ATOM 0 HA ARG A 174 7.311 -7.711 1.919 1.00 0.00 H new ATOM 0 HB2 ARG A 174 10.011 -8.786 2.804 1.00 0.00 H new ATOM 0 HB3 ARG A 174 9.030 -7.758 3.830 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.137 -9.520 3.376 1.00 0.00 H new ATOM 0 HG3 ARG A 174 8.452 -10.561 2.869 1.00 0.00 H new ATOM 0 HD2 ARG A 174 9.567 -9.862 5.143 1.00 0.00 H new ATOM 0 HD3 ARG A 174 7.954 -9.347 5.595 1.00 0.00 H new ATOM 0 HE ARG A 174 7.777 -12.001 4.550 1.00 0.00 H new ATOM 0 HH11 ARG A 174 9.075 -10.221 7.309 1.00 0.00 H new ATOM 0 HH12 ARG A 174 8.937 -11.596 8.409 1.00 0.00 H new ATOM 0 HH21 ARG A 174 7.600 -13.762 5.970 1.00 0.00 H new ATOM 0 HH22 ARG A 174 8.106 -13.592 7.654 1.00 0.00 H new ATOM 1109 N ASP A 175 8.262 -5.410 2.018 1.00 0.00 N ATOM 1110 CA ASP A 175 8.729 -4.033 1.898 1.00 0.00 C ATOM 1111 C ASP A 175 10.058 -3.845 2.622 1.00 0.00 C ATOM 1112 O ASP A 175 10.154 -4.059 3.832 1.00 0.00 O ATOM 1113 CB ASP A 175 7.686 -3.067 2.461 1.00 0.00 C ATOM 1114 CG ASP A 175 6.277 -3.418 2.025 1.00 0.00 C ATOM 1115 OD1 ASP A 175 5.740 -4.433 2.515 1.00 0.00 O ATOM 1116 OD2 ASP A 175 5.711 -2.678 1.192 1.00 0.00 O ATOM 0 H ASP A 175 7.342 -5.508 2.449 1.00 0.00 H new ATOM 0 HA ASP A 175 8.879 -3.817 0.840 1.00 0.00 H new ATOM 0 HB2 ASP A 175 7.739 -3.074 3.550 1.00 0.00 H new ATOM 0 HB3 ASP A 175 7.922 -2.053 2.137 1.00 0.00 H new ATOM 1121 N LEU A 176 11.082 -3.445 1.876 1.00 0.00 N ATOM 1122 CA LEU A 176 12.407 -3.228 2.447 1.00 0.00 C ATOM 1123 C LEU A 176 12.952 -4.514 3.060 1.00 0.00 C ATOM 1124 O LEU A 176 13.605 -4.489 4.103 1.00 0.00 O ATOM 1125 CB LEU A 176 12.353 -2.127 3.507 1.00 0.00 C ATOM 1126 CG LEU A 176 11.588 -0.861 3.122 1.00 0.00 C ATOM 1127 CD1 LEU A 176 11.764 0.213 4.184 1.00 0.00 C ATOM 1128 CD2 LEU A 176 12.049 -0.351 1.764 1.00 0.00 C ATOM 0 H LEU A 176 11.020 -3.264 0.874 1.00 0.00 H new ATOM 0 HA LEU A 176 13.076 -2.918 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 176 11.901 -2.540 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 176 13.375 -1.846 3.763 1.00 0.00 H new ATOM 0 HG LEU A 176 10.528 -1.107 3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 176 11.212 1.107 3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 176 11.384 -0.153 5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 176 12.822 0.456 4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 176 11.494 0.551 1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 176 13.114 -0.122 1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 176 11.870 -1.116 1.008 1.00 0.00 H new ATOM 1140 N CYS A 177 12.683 -5.637 2.403 1.00 0.00 N ATOM 1141 CA CYS A 177 13.147 -6.934 2.881 1.00 0.00 C ATOM 1142 C CYS A 177 14.625 -6.877 3.256 1.00 0.00 C ATOM 1143 O CYS A 177 15.087 -7.627 4.116 1.00 0.00 O ATOM 1144 CB CYS A 177 12.921 -8.006 1.813 1.00 0.00 C ATOM 1145 SG CYS A 177 14.122 -7.956 0.444 1.00 0.00 S ATOM 0 H CYS A 177 12.145 -5.675 1.537 1.00 0.00 H new ATOM 0 HA CYS A 177 12.573 -7.192 3.771 1.00 0.00 H new ATOM 0 HB2 CYS A 177 12.964 -8.988 2.284 1.00 0.00 H new ATOM 0 HB3 CYS A 177 11.917 -7.892 1.405 1.00 0.00 H new ATOM 1150 N ASN A 178 15.362 -5.983 2.605 1.00 0.00 N ATOM 1151 CA ASN A 178 16.788 -5.828 2.869 1.00 0.00 C ATOM 1152 C ASN A 178 17.295 -4.487 2.349 1.00 0.00 C ATOM 1153 O ASN A 178 16.970 -4.078 1.234 1.00 0.00 O ATOM 1154 CB ASN A 178 17.574 -6.970 2.221 1.00 0.00 C ATOM 1155 CG ASN A 178 18.041 -6.627 0.820 1.00 0.00 C ATOM 1156 OD1 ASN A 178 18.903 -5.768 0.633 1.00 0.00 O ATOM 1157 ND2 ASN A 178 17.472 -7.299 -0.174 1.00 0.00 N ATOM 0 H ASN A 178 14.995 -5.354 1.890 1.00 0.00 H new ATOM 0 HA ASN A 178 16.938 -5.859 3.948 1.00 0.00 H new ATOM 0 HB2 ASN A 178 18.438 -7.210 2.841 1.00 0.00 H new ATOM 0 HB3 ASN A 178 16.950 -7.863 2.185 1.00 0.00 H new ATOM 0 HD21 ASN A 178 17.745 -7.112 -1.139 1.00 0.00 H new ATOM 0 HD22 ASN A 178 16.761 -8.003 0.027 1.00 0.00 H new