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 153 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 154 SER OG : rot 52:sc= 0.0222 USER MOD Set 2.1: A 131 THR OG1 : rot 76:sc= 0.994 USER MOD Set 2.2: A 148 THR OG1 : rot -45:sc= 0.228 USER MOD Set 3.1: A 130 THR OG1 : rot 120:sc= -0.755 USER MOD Set 3.2: A 178 ASN : amide:sc= -1.85 K(o=-2.6,f=-3.8) USER MOD Set 4.1: A 105 THR OG1 : rot -11:sc= 0.407! USER MOD Set 4.2: A 119 THR OG1 : rot 1:sc= 0 USER MOD Single : A 100 MET CE :methyl -162:sc= 0 (180deg=-0.306) 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= 0.0908 USER MOD Single : A 117 THR OG1 : rot 17:sc= 0.429 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 152 SER OG : rot 180:sc= 0.0718 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 1.422 -0.318 -1.284 1.00 0.00 N ATOM 2 CA MET A 100 2.166 -0.586 -2.509 1.00 0.00 C ATOM 3 C MET A 100 3.548 -1.150 -2.194 1.00 0.00 C ATOM 4 O MET A 100 4.087 -0.929 -1.109 1.00 0.00 O ATOM 5 CB MET A 100 2.300 0.692 -3.340 1.00 0.00 C ATOM 6 CG MET A 100 3.035 1.810 -2.619 1.00 0.00 C ATOM 7 SD MET A 100 2.222 3.409 -2.807 1.00 0.00 S ATOM 8 CE MET A 100 2.170 3.555 -4.591 1.00 0.00 C ATOM 0 HA MET A 100 1.613 -1.328 -3.085 1.00 0.00 H new ATOM 0 HB2 MET A 100 2.826 0.460 -4.266 1.00 0.00 H new ATOM 0 HB3 MET A 100 1.305 1.042 -3.617 1.00 0.00 H new ATOM 0 HG2 MET A 100 3.109 1.567 -1.559 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.053 1.877 -3.003 1.00 0.00 H new ATOM 0 HE1 MET A 100 1.999 4.596 -4.866 1.00 0.00 H new ATOM 0 HE2 MET A 100 3.118 3.219 -5.011 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.361 2.939 -4.983 1.00 0.00 H new ATOM 18 N LEU A 101 4.116 -1.879 -3.149 1.00 0.00 N ATOM 19 CA LEU A 101 5.436 -2.474 -2.973 1.00 0.00 C ATOM 20 C LEU A 101 6.522 -1.403 -2.978 1.00 0.00 C ATOM 21 O LEU A 101 6.642 -0.629 -3.928 1.00 0.00 O ATOM 22 CB LEU A 101 5.707 -3.497 -4.078 1.00 0.00 C ATOM 23 CG LEU A 101 6.576 -4.693 -3.687 1.00 0.00 C ATOM 24 CD1 LEU A 101 7.275 -5.266 -4.910 1.00 0.00 C ATOM 25 CD2 LEU A 101 7.593 -4.290 -2.629 1.00 0.00 C ATOM 0 H LEU A 101 3.683 -2.072 -4.052 1.00 0.00 H new ATOM 0 HA LEU A 101 5.454 -2.978 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.750 -3.872 -4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.185 -2.983 -4.912 1.00 0.00 H new ATOM 0 HG LEU A 101 5.931 -5.465 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.889 -6.116 -4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.530 -5.592 -5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.908 -4.501 -5.359 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.203 -5.153 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.234 -3.501 -3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.072 -3.927 -1.743 1.00 0.00 H new ATOM 37 N LYS A 102 7.313 -1.365 -1.911 1.00 0.00 N ATOM 38 CA LYS A 102 8.392 -0.392 -1.793 1.00 0.00 C ATOM 39 C LYS A 102 9.740 -1.090 -1.641 1.00 0.00 C ATOM 40 O LYS A 102 9.893 -1.995 -0.820 1.00 0.00 O ATOM 41 CB LYS A 102 8.146 0.530 -0.597 1.00 0.00 C ATOM 42 CG LYS A 102 6.808 1.246 -0.646 1.00 0.00 C ATOM 43 CD LYS A 102 6.794 2.467 0.258 1.00 0.00 C ATOM 44 CE LYS A 102 5.812 2.299 1.407 1.00 0.00 C ATOM 45 NZ LYS A 102 6.184 3.136 2.581 1.00 0.00 N ATOM 0 H LYS A 102 7.227 -1.997 -1.115 1.00 0.00 H new ATOM 0 HA LYS A 102 8.412 0.204 -2.706 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.201 -0.056 0.320 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.944 1.271 -0.550 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.594 1.549 -1.671 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.016 0.560 -0.344 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.794 2.638 0.655 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.527 3.349 -0.324 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.811 2.569 1.071 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.777 1.251 1.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.490 2.993 3.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.129 2.862 2.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.193 4.138 2.304 1.00 0.00 H new ATOM 59 N CYS A 103 10.716 -0.663 -2.436 1.00 0.00 N ATOM 60 CA CYS A 103 12.051 -1.246 -2.389 1.00 0.00 C ATOM 61 C CYS A 103 13.109 -0.165 -2.185 1.00 0.00 C ATOM 62 O CYS A 103 12.913 0.990 -2.564 1.00 0.00 O ATOM 63 CB CYS A 103 12.338 -2.019 -3.678 1.00 0.00 C ATOM 64 SG CYS A 103 10.895 -2.904 -4.351 1.00 0.00 S ATOM 0 H CYS A 103 10.607 0.085 -3.121 1.00 0.00 H new ATOM 0 HA CYS A 103 12.091 -1.934 -1.544 1.00 0.00 H new ATOM 0 HB2 CYS A 103 12.708 -1.324 -4.431 1.00 0.00 H new ATOM 0 HB3 CYS A 103 13.135 -2.737 -3.488 1.00 0.00 H new ATOM 69 N TYR A 104 14.230 -0.549 -1.584 1.00 0.00 N ATOM 70 CA TYR A 104 15.318 0.386 -1.327 1.00 0.00 C ATOM 71 C TYR A 104 16.087 0.693 -2.609 1.00 0.00 C ATOM 72 O TYR A 104 17.234 0.276 -2.775 1.00 0.00 O ATOM 73 CB TYR A 104 16.269 -0.182 -0.273 1.00 0.00 C ATOM 74 CG TYR A 104 15.894 0.190 1.144 1.00 0.00 C ATOM 75 CD1 TYR A 104 16.004 1.501 1.591 1.00 0.00 C ATOM 76 CD2 TYR A 104 15.432 -0.769 2.036 1.00 0.00 C ATOM 77 CE1 TYR A 104 15.664 1.846 2.884 1.00 0.00 C ATOM 78 CE2 TYR A 104 15.087 -0.433 3.331 1.00 0.00 C ATOM 79 CZ TYR A 104 15.205 0.876 3.751 1.00 0.00 C ATOM 80 OH TYR A 104 14.865 1.214 5.040 1.00 0.00 O ATOM 0 H TYR A 104 14.409 -1.502 -1.266 1.00 0.00 H new ATOM 0 HA TYR A 104 14.885 1.314 -0.953 1.00 0.00 H new ATOM 0 HB2 TYR A 104 16.289 -1.268 -0.361 1.00 0.00 H new ATOM 0 HB3 TYR A 104 17.279 0.173 -0.478 1.00 0.00 H new ATOM 0 HD1 TYR A 104 16.362 2.264 0.915 1.00 0.00 H new ATOM 0 HD2 TYR A 104 15.341 -1.795 1.712 1.00 0.00 H new ATOM 0 HE1 TYR A 104 15.757 2.870 3.215 1.00 0.00 H new ATOM 0 HE2 TYR A 104 14.727 -1.191 4.011 1.00 0.00 H new ATOM 0 HH TYR A 104 14.560 0.415 5.518 1.00 0.00 H new ATOM 90 N THR A 105 15.447 1.427 -3.514 1.00 0.00 N ATOM 91 CA THR A 105 16.068 1.790 -4.781 1.00 0.00 C ATOM 92 C THR A 105 16.639 3.202 -4.729 1.00 0.00 C ATOM 93 O THR A 105 15.947 4.150 -4.355 1.00 0.00 O ATOM 94 CB THR A 105 15.064 1.697 -5.946 1.00 0.00 C ATOM 95 OG1 THR A 105 14.295 2.903 -6.027 1.00 0.00 O ATOM 96 CG2 THR A 105 14.134 0.507 -5.765 1.00 0.00 C ATOM 0 H THR A 105 14.498 1.782 -3.392 1.00 0.00 H new ATOM 0 HA THR A 105 16.877 1.080 -4.951 1.00 0.00 H new ATOM 0 HB THR A 105 15.625 1.562 -6.871 1.00 0.00 H new ATOM 0 HG1 THR A 105 14.445 3.442 -5.222 1.00 0.00 H new ATOM 0 HG21 THR A 105 13.434 0.462 -6.599 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.720 -0.411 -5.733 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.580 0.617 -4.833 1.00 0.00 H new ATOM 104 N CYS A 106 17.906 3.338 -5.107 1.00 0.00 N ATOM 105 CA CYS A 106 18.571 4.635 -5.103 1.00 0.00 C ATOM 106 C CYS A 106 18.228 5.426 -6.363 1.00 0.00 C ATOM 107 O CYS A 106 17.810 4.857 -7.372 1.00 0.00 O ATOM 108 CB CYS A 106 20.086 4.455 -4.998 1.00 0.00 C ATOM 109 SG CYS A 106 20.793 3.351 -6.263 1.00 0.00 S ATOM 0 H CYS A 106 18.493 2.565 -5.420 1.00 0.00 H new ATOM 0 HA CYS A 106 18.217 5.194 -4.236 1.00 0.00 H new ATOM 0 HB2 CYS A 106 20.563 5.432 -5.076 1.00 0.00 H new ATOM 0 HB3 CYS A 106 20.327 4.060 -4.011 1.00 0.00 H new ATOM 0 HG CYS A 106 22.079 3.264 -6.093 1.00 0.00 H new ATOM 262 N THR A 117 17.430 3.689 -0.773 1.00 0.00 N ATOM 263 CA THR A 117 16.425 4.735 -0.627 1.00 0.00 C ATOM 264 C THR A 117 15.018 4.172 -0.791 1.00 0.00 C ATOM 265 O THR A 117 14.751 3.403 -1.716 1.00 0.00 O ATOM 266 CB THR A 117 16.637 5.864 -1.653 1.00 0.00 C ATOM 267 OG1 THR A 117 18.037 6.090 -1.851 1.00 0.00 O ATOM 268 CG2 THR A 117 15.972 7.151 -1.186 1.00 0.00 C ATOM 0 HA THR A 117 16.535 5.142 0.378 1.00 0.00 H new ATOM 0 HB THR A 117 16.182 5.559 -2.595 1.00 0.00 H new ATOM 0 HG1 THR A 117 18.543 5.319 -1.518 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.135 7.934 -1.926 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.902 6.984 -1.064 1.00 0.00 H new ATOM 0 HG23 THR A 117 16.402 7.458 -0.233 1.00 0.00 H new ATOM 276 N ILE A 118 14.122 4.560 0.110 1.00 0.00 N ATOM 277 CA ILE A 118 12.741 4.095 0.063 1.00 0.00 C ATOM 278 C ILE A 118 12.014 4.652 -1.156 1.00 0.00 C ATOM 279 O ILE A 118 11.797 5.860 -1.266 1.00 0.00 O ATOM 280 CB ILE A 118 11.969 4.494 1.334 1.00 0.00 C ATOM 281 CG1 ILE A 118 12.650 3.913 2.574 1.00 0.00 C ATOM 282 CG2 ILE A 118 10.525 4.022 1.246 1.00 0.00 C ATOM 283 CD1 ILE A 118 11.952 4.267 3.869 1.00 0.00 C ATOM 0 H ILE A 118 14.327 5.195 0.881 1.00 0.00 H new ATOM 0 HA ILE A 118 12.777 3.008 -0.004 1.00 0.00 H new ATOM 0 HB ILE A 118 11.972 5.581 1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 118 12.694 2.828 2.479 1.00 0.00 H new ATOM 0 HG13 ILE A 118 13.679 4.272 2.615 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.992 4.311 2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.045 4.479 0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 118 10.502 2.937 1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 118 12.490 3.821 4.706 1.00 0.00 H new ATOM 0 HD12 ILE A 118 11.931 5.350 3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 118 10.932 3.884 3.849 1.00 0.00 H new ATOM 295 N THR A 119 11.638 3.765 -2.072 1.00 0.00 N ATOM 296 CA THR A 119 10.935 4.167 -3.283 1.00 0.00 C ATOM 297 C THR A 119 9.723 3.279 -3.536 1.00 0.00 C ATOM 298 O THR A 119 9.747 2.082 -3.247 1.00 0.00 O ATOM 299 CB THR A 119 11.860 4.116 -4.514 1.00 0.00 C ATOM 300 OG1 THR A 119 12.886 5.109 -4.397 1.00 0.00 O ATOM 301 CG2 THR A 119 11.071 4.343 -5.794 1.00 0.00 C ATOM 0 H THR A 119 11.809 2.762 -1.997 1.00 0.00 H new ATOM 0 HA THR A 119 10.604 5.194 -3.129 1.00 0.00 H new ATOM 0 HB THR A 119 12.315 3.127 -4.558 1.00 0.00 H new ATOM 0 HG1 THR A 119 12.775 5.596 -3.554 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.746 4.302 -6.649 1.00 0.00 H new ATOM 0 HG22 THR A 119 10.310 3.569 -5.895 1.00 0.00 H new ATOM 0 HG23 THR A 119 10.591 5.321 -5.757 1.00 0.00 H new ATOM 309 N ARG A 120 8.664 3.871 -4.079 1.00 0.00 N ATOM 310 CA ARG A 120 7.441 3.132 -4.370 1.00 0.00 C ATOM 311 C ARG A 120 7.492 2.526 -5.769 1.00 0.00 C ATOM 312 O ARG A 120 7.693 3.234 -6.757 1.00 0.00 O ATOM 313 CB ARG A 120 6.223 4.049 -4.244 1.00 0.00 C ATOM 314 CG ARG A 120 6.331 5.053 -3.107 1.00 0.00 C ATOM 315 CD ARG A 120 6.685 6.440 -3.620 1.00 0.00 C ATOM 316 NE ARG A 120 6.206 7.492 -2.727 1.00 0.00 N ATOM 317 CZ ARG A 120 6.625 8.751 -2.785 1.00 0.00 C ATOM 318 NH1 ARG A 120 7.525 9.113 -3.689 1.00 0.00 N ATOM 319 NH2 ARG A 120 6.143 9.651 -1.938 1.00 0.00 N ATOM 0 H ARG A 120 8.628 4.860 -4.326 1.00 0.00 H new ATOM 0 HA ARG A 120 7.354 2.323 -3.645 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.086 4.588 -5.181 1.00 0.00 H new ATOM 0 HB3 ARG A 120 5.333 3.438 -4.095 1.00 0.00 H new ATOM 0 HG2 ARG A 120 5.386 5.094 -2.566 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.090 4.721 -2.398 1.00 0.00 H new ATOM 0 HD2 ARG A 120 7.767 6.521 -3.729 1.00 0.00 H new ATOM 0 HD3 ARG A 120 6.253 6.581 -4.611 1.00 0.00 H new ATOM 0 HE ARG A 120 5.512 7.246 -2.021 1.00 0.00 H new ATOM 0 HH11 ARG A 120 7.897 8.424 -4.342 1.00 0.00 H new ATOM 0 HH12 ARG A 120 7.845 10.081 -3.731 1.00 0.00 H new ATOM 0 HH21 ARG A 120 5.450 9.376 -1.242 1.00 0.00 H new ATOM 0 HH22 ARG A 120 6.465 10.618 -1.983 1.00 0.00 H new ATOM 333 N CYS A 121 7.310 1.212 -5.847 1.00 0.00 N ATOM 334 CA CYS A 121 7.336 0.510 -7.124 1.00 0.00 C ATOM 335 C CYS A 121 6.050 0.756 -7.907 1.00 0.00 C ATOM 336 O CYS A 121 5.168 1.490 -7.459 1.00 0.00 O ATOM 337 CB CYS A 121 7.531 -0.991 -6.901 1.00 0.00 C ATOM 338 SG CYS A 121 9.179 -1.442 -6.269 1.00 0.00 S ATOM 0 H CYS A 121 7.143 0.612 -5.040 1.00 0.00 H new ATOM 0 HA CYS A 121 8.174 0.896 -7.705 1.00 0.00 H new ATOM 0 HB2 CYS A 121 6.776 -1.344 -6.199 1.00 0.00 H new ATOM 0 HB3 CYS A 121 7.360 -1.512 -7.843 1.00 0.00 H new ATOM 343 N LYS A 122 5.949 0.138 -9.079 1.00 0.00 N ATOM 344 CA LYS A 122 4.771 0.287 -9.925 1.00 0.00 C ATOM 345 C LYS A 122 3.706 -0.742 -9.560 1.00 0.00 C ATOM 346 O LYS A 122 3.980 -1.751 -8.911 1.00 0.00 O ATOM 347 CB LYS A 122 5.154 0.140 -11.399 1.00 0.00 C ATOM 348 CG LYS A 122 6.576 0.579 -11.704 1.00 0.00 C ATOM 349 CD LYS A 122 6.815 2.022 -11.293 1.00 0.00 C ATOM 350 CE LYS A 122 7.943 2.133 -10.278 1.00 0.00 C ATOM 351 NZ LYS A 122 9.216 2.578 -10.909 1.00 0.00 N ATOM 0 H LYS A 122 6.670 -0.472 -9.465 1.00 0.00 H new ATOM 0 HA LYS A 122 4.360 1.283 -9.761 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.033 -0.902 -11.695 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.464 0.726 -12.005 1.00 0.00 H new ATOM 0 HG2 LYS A 122 7.278 -0.070 -11.181 1.00 0.00 H new ATOM 0 HG3 LYS A 122 6.772 0.466 -12.770 1.00 0.00 H new ATOM 0 HD2 LYS A 122 7.057 2.617 -12.174 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.901 2.437 -10.869 1.00 0.00 H new ATOM 0 HE2 LYS A 122 7.660 2.838 -9.496 1.00 0.00 H new ATOM 0 HE3 LYS A 122 8.095 1.167 -9.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 9.959 2.641 -10.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 9.500 1.893 -11.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 9.079 3.512 -11.346 1.00 0.00 H new ATOM 365 N PRO A 123 2.461 -0.483 -9.989 1.00 0.00 N ATOM 366 CA PRO A 123 1.330 -1.377 -9.721 1.00 0.00 C ATOM 367 C PRO A 123 1.430 -2.687 -10.495 1.00 0.00 C ATOM 368 O PRO A 123 0.923 -3.718 -10.055 1.00 0.00 O ATOM 369 CB PRO A 123 0.120 -0.568 -10.193 1.00 0.00 C ATOM 370 CG PRO A 123 0.665 0.369 -11.215 1.00 0.00 C ATOM 371 CD PRO A 123 2.062 0.700 -10.769 1.00 0.00 C ATOM 0 HA PRO A 123 1.282 -1.670 -8.672 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -0.647 -1.215 -10.618 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -0.341 -0.027 -9.367 1.00 0.00 H new ATOM 0 HG2 PRO A 123 0.669 -0.091 -12.203 1.00 0.00 H new ATOM 0 HG3 PRO A 123 0.054 1.269 -11.285 1.00 0.00 H new ATOM 0 HD2 PRO A 123 2.726 0.864 -11.617 1.00 0.00 H new ATOM 0 HD3 PRO A 123 2.087 1.607 -10.165 1.00 0.00 H new ATOM 379 N GLU A 124 2.088 -2.638 -11.650 1.00 0.00 N ATOM 380 CA GLU A 124 2.253 -3.822 -12.484 1.00 0.00 C ATOM 381 C GLU A 124 3.295 -4.765 -11.891 1.00 0.00 C ATOM 382 O GLU A 124 3.315 -5.958 -12.196 1.00 0.00 O ATOM 383 CB GLU A 124 2.662 -3.420 -13.903 1.00 0.00 C ATOM 384 CG GLU A 124 1.998 -2.143 -14.389 1.00 0.00 C ATOM 385 CD GLU A 124 2.256 -1.874 -15.859 1.00 0.00 C ATOM 386 OE1 GLU A 124 2.300 -2.848 -16.640 1.00 0.00 O ATOM 387 OE2 GLU A 124 2.413 -0.692 -16.229 1.00 0.00 O ATOM 0 H GLU A 124 2.514 -1.792 -12.028 1.00 0.00 H new ATOM 0 HA GLU A 124 1.297 -4.344 -12.523 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.744 -3.293 -13.938 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.414 -4.232 -14.587 1.00 0.00 H new ATOM 0 HG2 GLU A 124 0.923 -2.209 -14.219 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.363 -1.301 -13.800 1.00 0.00 H new ATOM 394 N ASP A 125 4.160 -4.222 -11.041 1.00 0.00 N ATOM 395 CA ASP A 125 5.206 -5.013 -10.404 1.00 0.00 C ATOM 396 C ASP A 125 4.610 -5.984 -9.389 1.00 0.00 C ATOM 397 O ASP A 125 3.395 -6.025 -9.191 1.00 0.00 O ATOM 398 CB ASP A 125 6.221 -4.098 -9.717 1.00 0.00 C ATOM 399 CG ASP A 125 7.373 -3.724 -10.629 1.00 0.00 C ATOM 400 OD1 ASP A 125 7.921 -4.628 -11.293 1.00 0.00 O ATOM 401 OD2 ASP A 125 7.727 -2.527 -10.678 1.00 0.00 O ATOM 0 H ASP A 125 4.157 -3.237 -10.777 1.00 0.00 H new ATOM 0 HA ASP A 125 5.714 -5.589 -11.178 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.719 -3.191 -9.380 1.00 0.00 H new ATOM 0 HB3 ASP A 125 6.611 -4.595 -8.829 1.00 0.00 H new ATOM 406 N THR A 126 5.473 -6.767 -8.749 1.00 0.00 N ATOM 407 CA THR A 126 5.032 -7.740 -7.757 1.00 0.00 C ATOM 408 C THR A 126 6.104 -7.968 -6.697 1.00 0.00 C ATOM 409 O THR A 126 5.802 -8.089 -5.511 1.00 0.00 O ATOM 410 CB THR A 126 4.677 -9.088 -8.411 1.00 0.00 C ATOM 411 OG1 THR A 126 5.846 -9.669 -9.001 1.00 0.00 O ATOM 412 CG2 THR A 126 3.603 -8.908 -9.473 1.00 0.00 C ATOM 0 H THR A 126 6.482 -6.746 -8.900 1.00 0.00 H new ATOM 0 HA THR A 126 4.140 -7.328 -7.285 1.00 0.00 H new ATOM 0 HB THR A 126 4.292 -9.752 -7.637 1.00 0.00 H new ATOM 0 HG1 THR A 126 5.612 -10.527 -9.413 1.00 0.00 H new ATOM 0 HG21 THR A 126 3.369 -9.874 -9.921 1.00 0.00 H new ATOM 0 HG22 THR A 126 2.705 -8.493 -9.016 1.00 0.00 H new ATOM 0 HG23 THR A 126 3.965 -8.228 -10.245 1.00 0.00 H new ATOM 420 N ALA A 127 7.358 -8.026 -7.134 1.00 0.00 N ATOM 421 CA ALA A 127 8.476 -8.238 -6.222 1.00 0.00 C ATOM 422 C ALA A 127 9.591 -7.230 -6.477 1.00 0.00 C ATOM 423 O ALA A 127 9.479 -6.373 -7.355 1.00 0.00 O ATOM 424 CB ALA A 127 9.004 -9.658 -6.356 1.00 0.00 C ATOM 0 H ALA A 127 7.625 -7.929 -8.114 1.00 0.00 H new ATOM 0 HA ALA A 127 8.115 -8.091 -5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 127 9.838 -9.802 -5.670 1.00 0.00 H new ATOM 0 HB2 ALA A 127 8.210 -10.365 -6.116 1.00 0.00 H new ATOM 0 HB3 ALA A 127 9.342 -9.825 -7.379 1.00 0.00 H new ATOM 430 N CYS A 128 10.667 -7.337 -5.704 1.00 0.00 N ATOM 431 CA CYS A 128 11.803 -6.434 -5.846 1.00 0.00 C ATOM 432 C CYS A 128 13.030 -7.181 -6.361 1.00 0.00 C ATOM 433 O CYS A 128 13.081 -8.410 -6.326 1.00 0.00 O ATOM 434 CB CYS A 128 12.123 -5.769 -4.505 1.00 0.00 C ATOM 435 SG CYS A 128 10.762 -4.764 -3.831 1.00 0.00 S ATOM 0 H CYS A 128 10.776 -8.040 -4.973 1.00 0.00 H new ATOM 0 HA CYS A 128 11.536 -5.665 -6.571 1.00 0.00 H new ATOM 0 HB2 CYS A 128 12.383 -6.541 -3.781 1.00 0.00 H new ATOM 0 HB3 CYS A 128 13.002 -5.136 -4.626 1.00 0.00 H new ATOM 440 N MET A 129 14.016 -6.428 -6.839 1.00 0.00 N ATOM 441 CA MET A 129 15.243 -7.019 -7.360 1.00 0.00 C ATOM 442 C MET A 129 16.470 -6.307 -6.799 1.00 0.00 C ATOM 443 O MET A 129 16.408 -5.131 -6.437 1.00 0.00 O ATOM 444 CB MET A 129 15.257 -6.954 -8.889 1.00 0.00 C ATOM 445 CG MET A 129 15.795 -8.214 -9.546 1.00 0.00 C ATOM 446 SD MET A 129 15.587 -8.207 -11.337 1.00 0.00 S ATOM 447 CE MET A 129 17.043 -7.296 -11.844 1.00 0.00 C ATOM 0 H MET A 129 13.989 -5.409 -6.876 1.00 0.00 H new ATOM 0 HA MET A 129 15.275 -8.063 -7.047 1.00 0.00 H new ATOM 0 HB2 MET A 129 14.243 -6.773 -9.246 1.00 0.00 H new ATOM 0 HB3 MET A 129 15.862 -6.104 -9.203 1.00 0.00 H new ATOM 0 HG2 MET A 129 16.853 -8.320 -9.308 1.00 0.00 H new ATOM 0 HG3 MET A 129 15.286 -9.083 -9.128 1.00 0.00 H new ATOM 0 HE1 MET A 129 17.057 -7.208 -12.930 1.00 0.00 H new ATOM 0 HE2 MET A 129 17.023 -6.301 -11.399 1.00 0.00 H new ATOM 0 HE3 MET A 129 17.937 -7.824 -11.511 1.00 0.00 H new ATOM 457 N THR A 130 17.586 -7.026 -6.727 1.00 0.00 N ATOM 458 CA THR A 130 18.826 -6.464 -6.209 1.00 0.00 C ATOM 459 C THR A 130 20.036 -7.036 -6.938 1.00 0.00 C ATOM 460 O THR A 130 20.145 -8.248 -7.128 1.00 0.00 O ATOM 461 CB THR A 130 18.976 -6.732 -4.699 1.00 0.00 C ATOM 462 OG1 THR A 130 17.828 -6.243 -3.998 1.00 0.00 O ATOM 463 CG2 THR A 130 20.231 -6.068 -4.154 1.00 0.00 C ATOM 0 H THR A 130 17.656 -8.000 -7.022 1.00 0.00 H new ATOM 0 HA THR A 130 18.780 -5.388 -6.377 1.00 0.00 H new ATOM 0 HB THR A 130 19.060 -7.809 -4.550 1.00 0.00 H new ATOM 0 HG1 THR A 130 17.390 -6.984 -3.530 1.00 0.00 H new ATOM 0 HG21 THR A 130 20.316 -6.271 -3.086 1.00 0.00 H new ATOM 0 HG22 THR A 130 21.106 -6.465 -4.669 1.00 0.00 H new ATOM 0 HG23 THR A 130 20.172 -4.992 -4.315 1.00 0.00 H new ATOM 471 N THR A 131 20.947 -6.157 -7.344 1.00 0.00 N ATOM 472 CA THR A 131 22.150 -6.575 -8.053 1.00 0.00 C ATOM 473 C THR A 131 23.396 -6.339 -7.208 1.00 0.00 C ATOM 474 O THR A 131 23.774 -5.196 -6.946 1.00 0.00 O ATOM 475 CB THR A 131 22.301 -5.827 -9.391 1.00 0.00 C ATOM 476 OG1 THR A 131 21.011 -5.535 -9.939 1.00 0.00 O ATOM 477 CG2 THR A 131 23.104 -6.652 -10.385 1.00 0.00 C ATOM 0 H THR A 131 20.874 -5.151 -7.194 1.00 0.00 H new ATOM 0 HA THR A 131 22.046 -7.642 -8.251 1.00 0.00 H new ATOM 0 HB THR A 131 22.834 -4.895 -9.201 1.00 0.00 H new ATOM 0 HG1 THR A 131 20.607 -4.791 -9.446 1.00 0.00 H new ATOM 0 HG21 THR A 131 23.197 -6.103 -11.322 1.00 0.00 H new ATOM 0 HG22 THR A 131 24.096 -6.847 -9.978 1.00 0.00 H new ATOM 0 HG23 THR A 131 22.595 -7.598 -10.568 1.00 0.00 H new ATOM 733 N THR A 148 22.865 -2.244 -7.897 1.00 0.00 N ATOM 734 CA THR A 148 21.659 -1.577 -8.371 1.00 0.00 C ATOM 735 C THR A 148 20.407 -2.318 -7.917 1.00 0.00 C ATOM 736 O THR A 148 20.262 -3.517 -8.157 1.00 0.00 O ATOM 737 CB THR A 148 21.647 -1.465 -9.907 1.00 0.00 C ATOM 738 OG1 THR A 148 22.154 -2.671 -10.491 1.00 0.00 O ATOM 739 CG2 THR A 148 22.483 -0.281 -10.370 1.00 0.00 C ATOM 0 HA THR A 148 21.661 -0.575 -7.941 1.00 0.00 H new ATOM 0 HB THR A 148 20.617 -1.311 -10.230 1.00 0.00 H new ATOM 0 HG1 THR A 148 22.962 -2.951 -10.013 1.00 0.00 H new ATOM 0 HG21 THR A 148 22.459 -0.222 -11.458 1.00 0.00 H new ATOM 0 HG22 THR A 148 22.077 0.638 -9.948 1.00 0.00 H new ATOM 0 HG23 THR A 148 23.512 -0.410 -10.036 1.00 0.00 H new ATOM 747 N ARG A 149 19.504 -1.597 -7.261 1.00 0.00 N ATOM 748 CA ARG A 149 18.263 -2.186 -6.773 1.00 0.00 C ATOM 749 C ARG A 149 17.055 -1.558 -7.461 1.00 0.00 C ATOM 750 O ARG A 149 16.909 -0.336 -7.487 1.00 0.00 O ATOM 751 CB ARG A 149 18.150 -2.009 -5.258 1.00 0.00 C ATOM 752 CG ARG A 149 17.384 -3.127 -4.569 1.00 0.00 C ATOM 753 CD ARG A 149 17.228 -2.860 -3.080 1.00 0.00 C ATOM 754 NE ARG A 149 17.798 -3.932 -2.269 1.00 0.00 N ATOM 755 CZ ARG A 149 19.090 -4.024 -1.975 1.00 0.00 C ATOM 756 NH1 ARG A 149 19.941 -3.112 -2.423 1.00 0.00 N ATOM 757 NH2 ARG A 149 19.532 -5.029 -1.230 1.00 0.00 N ATOM 0 H ARG A 149 19.609 -0.603 -7.055 1.00 0.00 H new ATOM 0 HA ARG A 149 18.280 -3.250 -7.007 1.00 0.00 H new ATOM 0 HB2 ARG A 149 19.152 -1.950 -4.832 1.00 0.00 H new ATOM 0 HB3 ARG A 149 17.658 -1.060 -5.047 1.00 0.00 H new ATOM 0 HG2 ARG A 149 16.400 -3.231 -5.026 1.00 0.00 H new ATOM 0 HG3 ARG A 149 17.906 -4.072 -4.718 1.00 0.00 H new ATOM 0 HD2 ARG A 149 17.714 -1.917 -2.828 1.00 0.00 H new ATOM 0 HD3 ARG A 149 16.171 -2.748 -2.841 1.00 0.00 H new ATOM 0 HE ARG A 149 17.169 -4.650 -1.908 1.00 0.00 H new ATOM 0 HH11 ARG A 149 19.604 -2.337 -2.995 1.00 0.00 H new ATOM 0 HH12 ARG A 149 20.933 -3.185 -2.196 1.00 0.00 H new ATOM 0 HH21 ARG A 149 18.879 -5.732 -0.883 1.00 0.00 H new ATOM 0 HH22 ARG A 149 20.524 -5.099 -1.005 1.00 0.00 H new ATOM 771 N SER A 150 16.192 -2.401 -8.018 1.00 0.00 N ATOM 772 CA SER A 150 14.998 -1.928 -8.710 1.00 0.00 C ATOM 773 C SER A 150 13.840 -2.904 -8.525 1.00 0.00 C ATOM 774 O SER A 150 14.022 -4.014 -8.023 1.00 0.00 O ATOM 775 CB SER A 150 15.288 -1.740 -10.201 1.00 0.00 C ATOM 776 OG SER A 150 14.494 -0.702 -10.747 1.00 0.00 O ATOM 0 H SER A 150 16.297 -3.415 -8.004 1.00 0.00 H new ATOM 0 HA SER A 150 14.714 -0.968 -8.278 1.00 0.00 H new ATOM 0 HB2 SER A 150 16.344 -1.508 -10.343 1.00 0.00 H new ATOM 0 HB3 SER A 150 15.092 -2.671 -10.733 1.00 0.00 H new ATOM 0 HG SER A 150 14.699 -0.600 -11.700 1.00 0.00 H new ATOM 782 N CYS A 151 12.648 -2.482 -8.933 1.00 0.00 N ATOM 783 CA CYS A 151 11.459 -3.316 -8.813 1.00 0.00 C ATOM 784 C CYS A 151 11.453 -4.412 -9.875 1.00 0.00 C ATOM 785 O CYS A 151 12.141 -4.310 -10.891 1.00 0.00 O ATOM 786 CB CYS A 151 10.196 -2.461 -8.940 1.00 0.00 C ATOM 787 SG CYS A 151 10.267 -0.890 -8.021 1.00 0.00 S ATOM 0 H CYS A 151 12.480 -1.566 -9.350 1.00 0.00 H new ATOM 0 HA CYS A 151 11.474 -3.787 -7.830 1.00 0.00 H new ATOM 0 HB2 CYS A 151 10.020 -2.246 -9.994 1.00 0.00 H new ATOM 0 HB3 CYS A 151 9.342 -3.038 -8.586 1.00 0.00 H new ATOM 792 N SER A 152 10.672 -5.460 -9.632 1.00 0.00 N ATOM 793 CA SER A 152 10.579 -6.576 -10.565 1.00 0.00 C ATOM 794 C SER A 152 9.164 -7.144 -10.593 1.00 0.00 C ATOM 795 O SER A 152 8.473 -7.171 -9.575 1.00 0.00 O ATOM 796 CB SER A 152 11.574 -7.674 -10.181 1.00 0.00 C ATOM 797 OG SER A 152 11.466 -8.787 -11.051 1.00 0.00 O ATOM 0 H SER A 152 10.095 -5.559 -8.797 1.00 0.00 H new ATOM 0 HA SER A 152 10.823 -6.206 -11.561 1.00 0.00 H new ATOM 0 HB2 SER A 152 12.589 -7.278 -10.216 1.00 0.00 H new ATOM 0 HB3 SER A 152 11.391 -7.992 -9.154 1.00 0.00 H new ATOM 0 HG SER A 152 12.113 -9.474 -10.786 1.00 0.00 H new ATOM 803 N SER A 153 8.738 -7.598 -11.768 1.00 0.00 N ATOM 804 CA SER A 153 7.403 -8.163 -11.931 1.00 0.00 C ATOM 805 C SER A 153 7.459 -9.687 -11.967 1.00 0.00 C ATOM 806 O SER A 153 6.485 -10.346 -12.329 1.00 0.00 O ATOM 807 CB SER A 153 6.757 -7.635 -13.213 1.00 0.00 C ATOM 808 OG SER A 153 7.485 -8.044 -14.358 1.00 0.00 O ATOM 0 H SER A 153 9.298 -7.586 -12.621 1.00 0.00 H new ATOM 0 HA SER A 153 6.799 -7.859 -11.076 1.00 0.00 H new ATOM 0 HB2 SER A 153 5.731 -7.997 -13.282 1.00 0.00 H new ATOM 0 HB3 SER A 153 6.710 -6.547 -13.178 1.00 0.00 H new ATOM 0 HG SER A 153 7.050 -7.695 -15.164 1.00 0.00 H new ATOM 814 N SER A 154 8.607 -10.240 -11.588 1.00 0.00 N ATOM 815 CA SER A 154 8.792 -11.686 -11.580 1.00 0.00 C ATOM 816 C SER A 154 10.114 -12.061 -10.916 1.00 0.00 C ATOM 817 O SER A 154 11.160 -12.099 -11.565 1.00 0.00 O ATOM 818 CB SER A 154 8.753 -12.235 -13.007 1.00 0.00 C ATOM 819 OG SER A 154 9.454 -11.387 -13.899 1.00 0.00 O ATOM 0 H SER A 154 9.422 -9.709 -11.283 1.00 0.00 H new ATOM 0 HA SER A 154 7.978 -12.128 -11.006 1.00 0.00 H new ATOM 0 HB2 SER A 154 9.192 -13.233 -13.028 1.00 0.00 H new ATOM 0 HB3 SER A 154 7.718 -12.335 -13.333 1.00 0.00 H new ATOM 0 HG SER A 154 10.354 -11.217 -13.550 1.00 0.00 H new ATOM 825 N CYS A 155 10.059 -12.337 -9.617 1.00 0.00 N ATOM 826 CA CYS A 155 11.250 -12.708 -8.862 1.00 0.00 C ATOM 827 C CYS A 155 11.760 -14.080 -9.292 1.00 0.00 C ATOM 828 O CYS A 155 11.215 -15.110 -8.893 1.00 0.00 O ATOM 829 CB CYS A 155 10.948 -12.710 -7.362 1.00 0.00 C ATOM 830 SG CYS A 155 12.165 -13.624 -6.361 1.00 0.00 S ATOM 0 H CYS A 155 9.202 -12.311 -9.065 1.00 0.00 H new ATOM 0 HA CYS A 155 12.026 -11.971 -9.068 1.00 0.00 H new ATOM 0 HB2 CYS A 155 10.904 -11.679 -7.010 1.00 0.00 H new ATOM 0 HB3 CYS A 155 9.961 -13.144 -7.201 1.00 0.00 H new ATOM 835 N VAL A 156 12.810 -14.086 -10.107 1.00 0.00 N ATOM 836 CA VAL A 156 13.395 -15.331 -10.590 1.00 0.00 C ATOM 837 C VAL A 156 14.887 -15.169 -10.859 1.00 0.00 C ATOM 838 O VAL A 156 15.294 -14.353 -11.685 1.00 0.00 O ATOM 839 CB VAL A 156 12.702 -15.816 -11.877 1.00 0.00 C ATOM 840 CG1 VAL A 156 11.313 -16.352 -11.566 1.00 0.00 C ATOM 841 CG2 VAL A 156 12.632 -14.691 -12.899 1.00 0.00 C ATOM 0 H VAL A 156 13.273 -13.243 -10.447 1.00 0.00 H new ATOM 0 HA VAL A 156 13.248 -16.074 -9.806 1.00 0.00 H new ATOM 0 HB VAL A 156 13.291 -16.628 -12.303 1.00 0.00 H new ATOM 0 HG11 VAL A 156 10.839 -16.690 -12.487 1.00 0.00 H new ATOM 0 HG12 VAL A 156 11.393 -17.188 -10.871 1.00 0.00 H new ATOM 0 HG13 VAL A 156 10.711 -15.563 -11.116 1.00 0.00 H new ATOM 0 HG21 VAL A 156 12.140 -15.050 -13.803 1.00 0.00 H new ATOM 0 HG22 VAL A 156 12.066 -13.857 -12.484 1.00 0.00 H new ATOM 0 HG23 VAL A 156 13.641 -14.358 -13.144 1.00 0.00 H new ATOM 987 N LEU A 168 25.108 -11.633 -8.715 1.00 0.00 N ATOM 988 CA LEU A 168 24.145 -12.090 -7.719 1.00 0.00 C ATOM 989 C LEU A 168 22.840 -11.307 -7.823 1.00 0.00 C ATOM 990 O LEU A 168 22.769 -10.145 -7.422 1.00 0.00 O ATOM 991 CB LEU A 168 24.729 -11.945 -6.312 1.00 0.00 C ATOM 992 CG LEU A 168 25.584 -13.112 -5.817 1.00 0.00 C ATOM 993 CD1 LEU A 168 24.711 -14.313 -5.490 1.00 0.00 C ATOM 994 CD2 LEU A 168 26.635 -13.481 -6.854 1.00 0.00 C ATOM 0 HA LEU A 168 23.932 -13.142 -7.911 1.00 0.00 H new ATOM 0 HB2 LEU A 168 25.335 -11.039 -6.283 1.00 0.00 H new ATOM 0 HB3 LEU A 168 23.906 -11.801 -5.612 1.00 0.00 H new ATOM 0 HG LEU A 168 26.095 -12.801 -4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 168 25.337 -15.133 -5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 168 23.997 -14.043 -4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 168 24.172 -14.625 -6.384 1.00 0.00 H new ATOM 0 HD21 LEU A 168 27.234 -14.313 -6.485 1.00 0.00 H new ATOM 0 HD22 LEU A 168 26.144 -13.772 -7.783 1.00 0.00 H new ATOM 0 HD23 LEU A 168 27.281 -12.623 -7.039 1.00 0.00 H new ATOM 1006 N ILE A 169 21.811 -11.952 -8.363 1.00 0.00 N ATOM 1007 CA ILE A 169 20.509 -11.317 -8.517 1.00 0.00 C ATOM 1008 C ILE A 169 19.523 -11.823 -7.469 1.00 0.00 C ATOM 1009 O ILE A 169 19.031 -12.948 -7.556 1.00 0.00 O ATOM 1010 CB ILE A 169 19.922 -11.567 -9.919 1.00 0.00 C ATOM 1011 CG1 ILE A 169 20.964 -11.251 -10.994 1.00 0.00 C ATOM 1012 CG2 ILE A 169 18.669 -10.731 -10.126 1.00 0.00 C ATOM 1013 CD1 ILE A 169 20.460 -11.466 -12.405 1.00 0.00 C ATOM 0 H ILE A 169 21.854 -12.913 -8.701 1.00 0.00 H new ATOM 0 HA ILE A 169 20.663 -10.246 -8.382 1.00 0.00 H new ATOM 0 HB ILE A 169 19.649 -12.619 -10.001 1.00 0.00 H new ATOM 0 HG12 ILE A 169 21.284 -10.215 -10.885 1.00 0.00 H new ATOM 0 HG13 ILE A 169 21.843 -11.875 -10.832 1.00 0.00 H new ATOM 0 HG21 ILE A 169 18.266 -10.919 -11.121 1.00 0.00 H new ATOM 0 HG22 ILE A 169 17.924 -11.000 -9.377 1.00 0.00 H new ATOM 0 HG23 ILE A 169 18.917 -9.674 -10.029 1.00 0.00 H new ATOM 0 HD11 ILE A 169 21.251 -11.223 -13.115 1.00 0.00 H new ATOM 0 HD12 ILE A 169 20.167 -12.508 -12.532 1.00 0.00 H new ATOM 0 HD13 ILE A 169 19.599 -10.822 -12.586 1.00 0.00 H new ATOM 1025 N PHE A 170 19.238 -10.984 -6.478 1.00 0.00 N ATOM 1026 CA PHE A 170 18.310 -11.345 -5.413 1.00 0.00 C ATOM 1027 C PHE A 170 16.966 -10.648 -5.603 1.00 0.00 C ATOM 1028 O PHE A 170 16.882 -9.601 -6.245 1.00 0.00 O ATOM 1029 CB PHE A 170 18.899 -10.979 -4.049 1.00 0.00 C ATOM 1030 CG PHE A 170 19.706 -12.084 -3.428 1.00 0.00 C ATOM 1031 CD1 PHE A 170 19.079 -13.144 -2.793 1.00 0.00 C ATOM 1032 CD2 PHE A 170 21.090 -12.062 -3.480 1.00 0.00 C ATOM 1033 CE1 PHE A 170 19.819 -14.161 -2.221 1.00 0.00 C ATOM 1034 CE2 PHE A 170 21.835 -13.077 -2.910 1.00 0.00 C ATOM 1035 CZ PHE A 170 21.199 -14.128 -2.280 1.00 0.00 C ATOM 0 H PHE A 170 19.637 -10.049 -6.391 1.00 0.00 H new ATOM 0 HA PHE A 170 18.149 -12.422 -5.455 1.00 0.00 H new ATOM 0 HB2 PHE A 170 19.530 -10.097 -4.160 1.00 0.00 H new ATOM 0 HB3 PHE A 170 18.088 -10.708 -3.373 1.00 0.00 H new ATOM 0 HD1 PHE A 170 18.001 -13.176 -2.745 1.00 0.00 H new ATOM 0 HD2 PHE A 170 21.593 -11.242 -3.972 1.00 0.00 H new ATOM 0 HE1 PHE A 170 19.319 -14.981 -1.728 1.00 0.00 H new ATOM 0 HE2 PHE A 170 22.914 -13.048 -2.957 1.00 0.00 H new ATOM 0 HZ PHE A 170 21.779 -14.923 -1.834 1.00 0.00 H new ATOM 1045 N CYS A 171 15.917 -11.237 -5.040 1.00 0.00 N ATOM 1046 CA CYS A 171 14.576 -10.675 -5.147 1.00 0.00 C ATOM 1047 C CYS A 171 13.735 -11.038 -3.926 1.00 0.00 C ATOM 1048 O CYS A 171 14.016 -12.017 -3.234 1.00 0.00 O ATOM 1049 CB CYS A 171 13.890 -11.176 -6.419 1.00 0.00 C ATOM 1050 SG CYS A 171 14.000 -12.978 -6.663 1.00 0.00 S ATOM 0 H CYS A 171 15.969 -12.104 -4.505 1.00 0.00 H new ATOM 0 HA CYS A 171 14.667 -9.590 -5.195 1.00 0.00 H new ATOM 0 HB2 CYS A 171 12.839 -10.888 -6.390 1.00 0.00 H new ATOM 0 HB3 CYS A 171 14.334 -10.676 -7.280 1.00 0.00 H new ATOM 1055 N CYS A 172 12.702 -10.244 -3.669 1.00 0.00 N ATOM 1056 CA CYS A 172 11.819 -10.480 -2.533 1.00 0.00 C ATOM 1057 C CYS A 172 10.412 -9.964 -2.820 1.00 0.00 C ATOM 1058 O CYS A 172 10.196 -9.215 -3.773 1.00 0.00 O ATOM 1059 CB CYS A 172 12.375 -9.803 -1.278 1.00 0.00 C ATOM 1060 SG CYS A 172 12.983 -8.108 -1.556 1.00 0.00 S ATOM 0 H CYS A 172 12.455 -9.430 -4.233 1.00 0.00 H new ATOM 0 HA CYS A 172 11.766 -11.556 -2.365 1.00 0.00 H new ATOM 0 HB2 CYS A 172 11.596 -9.778 -0.516 1.00 0.00 H new ATOM 0 HB3 CYS A 172 13.189 -10.409 -0.881 1.00 0.00 H new ATOM 1065 N PHE A 173 9.457 -10.371 -1.990 1.00 0.00 N ATOM 1066 CA PHE A 173 8.071 -9.952 -2.155 1.00 0.00 C ATOM 1067 C PHE A 173 7.589 -9.173 -0.935 1.00 0.00 C ATOM 1068 O PHE A 173 6.406 -9.200 -0.595 1.00 0.00 O ATOM 1069 CB PHE A 173 7.171 -11.168 -2.386 1.00 0.00 C ATOM 1070 CG PHE A 173 7.767 -12.186 -3.316 1.00 0.00 C ATOM 1071 CD1 PHE A 173 8.631 -13.158 -2.839 1.00 0.00 C ATOM 1072 CD2 PHE A 173 7.462 -12.171 -4.668 1.00 0.00 C ATOM 1073 CE1 PHE A 173 9.180 -14.096 -3.693 1.00 0.00 C ATOM 1074 CE2 PHE A 173 8.008 -13.106 -5.526 1.00 0.00 C ATOM 1075 CZ PHE A 173 8.868 -14.070 -5.038 1.00 0.00 C ATOM 0 H PHE A 173 9.618 -10.991 -1.196 1.00 0.00 H new ATOM 0 HA PHE A 173 8.017 -9.299 -3.026 1.00 0.00 H new ATOM 0 HB2 PHE A 173 6.961 -11.642 -1.427 1.00 0.00 H new ATOM 0 HB3 PHE A 173 6.217 -10.832 -2.791 1.00 0.00 H new ATOM 0 HD1 PHE A 173 8.878 -13.183 -1.788 1.00 0.00 H new ATOM 0 HD2 PHE A 173 6.790 -11.420 -5.055 1.00 0.00 H new ATOM 0 HE1 PHE A 173 9.852 -14.849 -3.309 1.00 0.00 H new ATOM 0 HE2 PHE A 173 7.762 -13.083 -6.577 1.00 0.00 H new ATOM 0 HZ PHE A 173 9.296 -14.802 -5.707 1.00 0.00 H new ATOM 1085 N ARG A 174 8.515 -8.480 -0.279 1.00 0.00 N ATOM 1086 CA ARG A 174 8.186 -7.695 0.905 1.00 0.00 C ATOM 1087 C ARG A 174 8.804 -6.303 0.822 1.00 0.00 C ATOM 1088 O ARG A 174 9.951 -6.145 0.402 1.00 0.00 O ATOM 1089 CB ARG A 174 8.674 -8.408 2.167 1.00 0.00 C ATOM 1090 CG ARG A 174 7.858 -9.639 2.525 1.00 0.00 C ATOM 1091 CD ARG A 174 8.724 -10.717 3.160 1.00 0.00 C ATOM 1092 NE ARG A 174 9.698 -11.262 2.217 1.00 0.00 N ATOM 1093 CZ ARG A 174 10.571 -12.212 2.530 1.00 0.00 C ATOM 1094 NH1 ARG A 174 10.592 -12.721 3.755 1.00 0.00 N ATOM 1095 NH2 ARG A 174 11.425 -12.657 1.617 1.00 0.00 N ATOM 0 H ARG A 174 9.498 -8.446 -0.548 1.00 0.00 H new ATOM 0 HA ARG A 174 7.102 -7.590 0.952 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.715 -8.700 2.030 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.647 -7.709 3.003 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.060 -9.360 3.213 1.00 0.00 H new ATOM 0 HG3 ARG A 174 7.382 -10.035 1.628 1.00 0.00 H new ATOM 0 HD2 ARG A 174 9.247 -10.301 4.022 1.00 0.00 H new ATOM 0 HD3 ARG A 174 8.088 -11.521 3.530 1.00 0.00 H new ATOM 0 HE ARG A 174 9.708 -10.892 1.266 1.00 0.00 H new ATOM 0 HH11 ARG A 174 9.936 -12.383 4.459 1.00 0.00 H new ATOM 0 HH12 ARG A 174 11.264 -13.451 3.993 1.00 0.00 H new ATOM 0 HH21 ARG A 174 11.411 -12.269 0.674 1.00 0.00 H new ATOM 0 HH22 ARG A 174 12.095 -13.387 1.859 1.00 0.00 H new ATOM 1109 N ASP A 175 8.037 -5.296 1.226 1.00 0.00 N ATOM 1110 CA ASP A 175 8.509 -3.917 1.199 1.00 0.00 C ATOM 1111 C ASP A 175 9.749 -3.749 2.072 1.00 0.00 C ATOM 1112 O ASP A 175 9.716 -4.018 3.274 1.00 0.00 O ATOM 1113 CB ASP A 175 7.406 -2.968 1.671 1.00 0.00 C ATOM 1114 CG ASP A 175 6.049 -3.330 1.101 1.00 0.00 C ATOM 1115 OD1 ASP A 175 5.486 -4.363 1.520 1.00 0.00 O ATOM 1116 OD2 ASP A 175 5.549 -2.581 0.236 1.00 0.00 O ATOM 0 H ASP A 175 7.086 -5.409 1.576 1.00 0.00 H new ATOM 0 HA ASP A 175 8.774 -3.671 0.171 1.00 0.00 H new ATOM 0 HB2 ASP A 175 7.356 -2.986 2.760 1.00 0.00 H new ATOM 0 HB3 ASP A 175 7.659 -1.948 1.380 1.00 0.00 H new ATOM 1121 N LEU A 176 10.841 -3.305 1.460 1.00 0.00 N ATOM 1122 CA LEU A 176 12.093 -3.102 2.182 1.00 0.00 C ATOM 1123 C LEU A 176 12.590 -4.411 2.788 1.00 0.00 C ATOM 1124 O LEU A 176 13.144 -4.427 3.888 1.00 0.00 O ATOM 1125 CB LEU A 176 11.907 -2.056 3.282 1.00 0.00 C ATOM 1126 CG LEU A 176 11.125 -0.802 2.890 1.00 0.00 C ATOM 1127 CD1 LEU A 176 11.177 0.230 4.006 1.00 0.00 C ATOM 1128 CD2 LEU A 176 11.668 -0.217 1.594 1.00 0.00 C ATOM 0 H LEU A 176 10.885 -3.079 0.466 1.00 0.00 H new ATOM 0 HA LEU A 176 12.839 -2.745 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 176 11.399 -2.528 4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 176 12.892 -1.750 3.635 1.00 0.00 H new ATOM 0 HG LEU A 176 10.084 -1.082 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 176 10.615 1.116 3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 176 10.739 -0.191 4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 176 12.214 0.506 4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 176 11.099 0.675 1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 176 12.717 0.048 1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 176 11.577 -0.954 0.796 1.00 0.00 H new ATOM 1140 N CYS A 177 12.391 -5.506 2.062 1.00 0.00 N ATOM 1141 CA CYS A 177 12.820 -6.820 2.526 1.00 0.00 C ATOM 1142 C CYS A 177 14.284 -6.793 2.957 1.00 0.00 C ATOM 1143 O CYS A 177 14.717 -7.608 3.771 1.00 0.00 O ATOM 1144 CB CYS A 177 12.620 -7.863 1.425 1.00 0.00 C ATOM 1145 SG CYS A 177 13.988 -7.948 0.224 1.00 0.00 S ATOM 0 H CYS A 177 11.935 -5.509 1.150 1.00 0.00 H new ATOM 0 HA CYS A 177 12.210 -7.091 3.388 1.00 0.00 H new ATOM 0 HB2 CYS A 177 12.494 -8.843 1.886 1.00 0.00 H new ATOM 0 HB3 CYS A 177 11.696 -7.640 0.892 1.00 0.00 H new ATOM 1150 N ASN A 178 15.041 -5.850 2.405 1.00 0.00 N ATOM 1151 CA ASN A 178 16.456 -5.717 2.732 1.00 0.00 C ATOM 1152 C ASN A 178 16.847 -4.248 2.867 1.00 0.00 C ATOM 1153 O ASN A 178 16.847 -3.503 1.887 1.00 0.00 O ATOM 1154 CB ASN A 178 17.314 -6.388 1.658 1.00 0.00 C ATOM 1155 CG ASN A 178 16.779 -6.152 0.259 1.00 0.00 C ATOM 1156 OD1 ASN A 178 16.137 -5.136 -0.009 1.00 0.00 O ATOM 1157 ND2 ASN A 178 17.042 -7.092 -0.641 1.00 0.00 N ATOM 0 H ASN A 178 14.698 -5.167 1.729 1.00 0.00 H new ATOM 0 HA ASN A 178 16.631 -6.211 3.688 1.00 0.00 H new ATOM 0 HB2 ASN A 178 18.334 -6.009 1.723 1.00 0.00 H new ATOM 0 HB3 ASN A 178 17.359 -7.460 1.851 1.00 0.00 H new ATOM 0 HD21 ASN A 178 16.708 -6.988 -1.599 1.00 0.00 H new ATOM 0 HD22 ASN A 178 17.578 -7.918 -0.374 1.00 0.00 H new