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 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 152 SER OG : rot -150:sc= -0.164 USER MOD Set 2.1: A 131 THR OG1 : rot 93:sc= 1.26 USER MOD Set 2.2: A 148 THR OG1 : rot -44:sc= 0.284 USER MOD Set 3.1: A 130 THR OG1 : rot 86:sc= -0.754 USER MOD Set 3.2: A 178 ASN : amide:sc= -1.06 K(o=-1.8,f=-6.6!) USER MOD Set 4.1: A 105 THR OG1 : rot 0:sc= 0.514 USER MOD Set 4.2: A 119 THR OG1 : rot -160:sc= 0.0212 USER MOD Single : A 100 MET CE :methyl 147:sc= -0.0221 (180deg=-0.221) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= -0.0489 USER MOD Single : A 106 CYS SG : rot 180:sc= 0.058 USER MOD Single : A 117 THR OG1 : rot 26:sc= 0.0999 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 150 SER OG : rot 180:sc= 0 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 1.029 -0.295 -0.637 1.00 0.00 N ATOM 2 CA MET A 100 1.684 -0.557 -1.914 1.00 0.00 C ATOM 3 C MET A 100 3.061 -1.177 -1.701 1.00 0.00 C ATOM 4 O MET A 100 3.649 -1.055 -0.625 1.00 0.00 O ATOM 5 CB MET A 100 1.812 0.736 -2.721 1.00 0.00 C ATOM 6 CG MET A 100 2.603 1.821 -2.008 1.00 0.00 C ATOM 7 SD MET A 100 1.598 3.264 -1.608 1.00 0.00 S ATOM 8 CE MET A 100 2.186 4.435 -2.830 1.00 0.00 C ATOM 0 HA MET A 100 1.069 -1.264 -2.471 1.00 0.00 H new ATOM 0 HB2 MET A 100 2.293 0.514 -3.674 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.815 1.114 -2.947 1.00 0.00 H new ATOM 0 HG2 MET A 100 3.027 1.413 -1.091 1.00 0.00 H new ATOM 0 HG3 MET A 100 3.439 2.128 -2.636 1.00 0.00 H new ATOM 0 HE1 MET A 100 1.368 5.092 -3.128 1.00 0.00 H new ATOM 0 HE2 MET A 100 2.993 5.031 -2.404 1.00 0.00 H new ATOM 0 HE3 MET A 100 2.555 3.896 -3.703 1.00 0.00 H new ATOM 18 N LEU A 101 3.572 -1.842 -2.732 1.00 0.00 N ATOM 19 CA LEU A 101 4.881 -2.481 -2.657 1.00 0.00 C ATOM 20 C LEU A 101 5.993 -1.439 -2.601 1.00 0.00 C ATOM 21 O LEU A 101 6.090 -0.571 -3.469 1.00 0.00 O ATOM 22 CB LEU A 101 5.090 -3.402 -3.860 1.00 0.00 C ATOM 23 CG LEU A 101 5.934 -4.652 -3.610 1.00 0.00 C ATOM 24 CD1 LEU A 101 6.573 -5.132 -4.904 1.00 0.00 C ATOM 25 CD2 LEU A 101 6.998 -4.375 -2.558 1.00 0.00 C ATOM 0 H LEU A 101 3.100 -1.952 -3.629 1.00 0.00 H new ATOM 0 HA LEU A 101 4.917 -3.073 -1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.112 -3.715 -4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.559 -2.825 -4.657 1.00 0.00 H new ATOM 0 HG LEU A 101 5.280 -5.441 -3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.170 -6.022 -4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.794 -5.371 -5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.214 -4.347 -5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.589 -5.276 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.649 -3.571 -2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.519 -4.079 -1.625 1.00 0.00 H new ATOM 37 N LYS A 102 6.833 -1.532 -1.576 1.00 0.00 N ATOM 38 CA LYS A 102 7.942 -0.601 -1.407 1.00 0.00 C ATOM 39 C LYS A 102 9.275 -1.341 -1.376 1.00 0.00 C ATOM 40 O LYS A 102 9.416 -2.359 -0.698 1.00 0.00 O ATOM 41 CB LYS A 102 7.765 0.207 -0.119 1.00 0.00 C ATOM 42 CG LYS A 102 6.830 1.394 -0.270 1.00 0.00 C ATOM 43 CD LYS A 102 5.935 1.557 0.948 1.00 0.00 C ATOM 44 CE LYS A 102 5.660 3.023 1.246 1.00 0.00 C ATOM 45 NZ LYS A 102 4.324 3.220 1.873 1.00 0.00 N ATOM 0 H LYS A 102 6.767 -2.244 -0.849 1.00 0.00 H new ATOM 0 HA LYS A 102 7.945 0.079 -2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.382 -0.450 0.662 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.740 0.563 0.214 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.414 2.302 -0.418 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.215 1.263 -1.160 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.992 1.036 0.781 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.407 1.091 1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.433 3.410 1.910 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.716 3.598 0.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.174 4.232 2.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.584 2.874 1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.279 2.692 2.768 1.00 0.00 H new ATOM 59 N CYS A 103 10.252 -0.824 -2.113 1.00 0.00 N ATOM 60 CA CYS A 103 11.574 -1.435 -2.170 1.00 0.00 C ATOM 61 C CYS A 103 12.666 -0.387 -1.974 1.00 0.00 C ATOM 62 O CYS A 103 12.522 0.761 -2.393 1.00 0.00 O ATOM 63 CB CYS A 103 11.772 -2.150 -3.508 1.00 0.00 C ATOM 64 SG CYS A 103 10.283 -2.999 -4.124 1.00 0.00 S ATOM 0 H CYS A 103 10.153 0.018 -2.680 1.00 0.00 H new ATOM 0 HA CYS A 103 11.645 -2.164 -1.363 1.00 0.00 H new ATOM 0 HB2 CYS A 103 12.097 -1.423 -4.252 1.00 0.00 H new ATOM 0 HB3 CYS A 103 12.576 -2.879 -3.403 1.00 0.00 H new ATOM 69 N TYR A 104 13.759 -0.792 -1.336 1.00 0.00 N ATOM 70 CA TYR A 104 14.875 0.112 -1.082 1.00 0.00 C ATOM 71 C TYR A 104 15.630 0.419 -2.371 1.00 0.00 C ATOM 72 O TYR A 104 16.685 -0.158 -2.640 1.00 0.00 O ATOM 73 CB TYR A 104 15.827 -0.497 -0.052 1.00 0.00 C ATOM 74 CG TYR A 104 15.401 -0.263 1.380 1.00 0.00 C ATOM 75 CD1 TYR A 104 15.378 1.018 1.918 1.00 0.00 C ATOM 76 CD2 TYR A 104 15.022 -1.323 2.195 1.00 0.00 C ATOM 77 CE1 TYR A 104 14.990 1.237 3.225 1.00 0.00 C ATOM 78 CE2 TYR A 104 14.631 -1.113 3.503 1.00 0.00 C ATOM 79 CZ TYR A 104 14.617 0.168 4.014 1.00 0.00 C ATOM 80 OH TYR A 104 14.230 0.381 5.317 1.00 0.00 O ATOM 0 H TYR A 104 13.896 -1.740 -0.985 1.00 0.00 H new ATOM 0 HA TYR A 104 14.472 1.045 -0.687 1.00 0.00 H new ATOM 0 HB2 TYR A 104 15.902 -1.570 -0.229 1.00 0.00 H new ATOM 0 HB3 TYR A 104 16.823 -0.079 -0.199 1.00 0.00 H new ATOM 0 HD1 TYR A 104 15.669 1.857 1.303 1.00 0.00 H new ATOM 0 HD2 TYR A 104 15.033 -2.328 1.799 1.00 0.00 H new ATOM 0 HE1 TYR A 104 14.979 2.239 3.627 1.00 0.00 H new ATOM 0 HE2 TYR A 104 14.338 -1.948 4.122 1.00 0.00 H new ATOM 0 HH TYR A 104 13.998 -0.475 5.734 1.00 0.00 H new ATOM 90 N THR A 105 15.084 1.333 -3.167 1.00 0.00 N ATOM 91 CA THR A 105 15.704 1.718 -4.428 1.00 0.00 C ATOM 92 C THR A 105 16.403 3.068 -4.307 1.00 0.00 C ATOM 93 O THR A 105 15.776 4.076 -3.981 1.00 0.00 O ATOM 94 CB THR A 105 14.668 1.789 -5.565 1.00 0.00 C ATOM 95 OG1 THR A 105 13.923 3.009 -5.474 1.00 0.00 O ATOM 96 CG2 THR A 105 13.716 0.603 -5.505 1.00 0.00 C ATOM 0 H THR A 105 14.212 1.821 -2.960 1.00 0.00 H new ATOM 0 HA THR A 105 16.440 0.950 -4.666 1.00 0.00 H new ATOM 0 HB THR A 105 15.202 1.759 -6.515 1.00 0.00 H new ATOM 0 HG1 THR A 105 14.241 3.530 -4.707 1.00 0.00 H new ATOM 0 HG21 THR A 105 12.993 0.675 -6.318 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.282 -0.323 -5.604 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.190 0.607 -4.550 1.00 0.00 H new ATOM 104 N CYS A 106 17.704 3.080 -4.574 1.00 0.00 N ATOM 105 CA CYS A 106 18.489 4.306 -4.496 1.00 0.00 C ATOM 106 C CYS A 106 18.382 5.105 -5.792 1.00 0.00 C ATOM 107 O CYS A 106 18.042 4.561 -6.843 1.00 0.00 O ATOM 108 CB CYS A 106 19.956 3.980 -4.206 1.00 0.00 C ATOM 109 SG CYS A 106 20.718 2.846 -5.410 1.00 0.00 S ATOM 0 H CYS A 106 18.237 2.254 -4.846 1.00 0.00 H new ATOM 0 HA CYS A 106 18.090 4.911 -3.682 1.00 0.00 H new ATOM 0 HB2 CYS A 106 20.526 4.909 -4.186 1.00 0.00 H new ATOM 0 HB3 CYS A 106 20.029 3.540 -3.212 1.00 0.00 H new ATOM 0 HG CYS A 106 21.958 2.633 -5.081 1.00 0.00 H new ATOM 262 N THR A 117 17.346 3.437 0.002 1.00 0.00 N ATOM 263 CA THR A 117 16.340 4.491 -0.006 1.00 0.00 C ATOM 264 C THR A 117 14.944 3.917 -0.219 1.00 0.00 C ATOM 265 O THR A 117 14.694 3.217 -1.201 1.00 0.00 O ATOM 266 CB THR A 117 16.627 5.534 -1.102 1.00 0.00 C ATOM 267 OG1 THR A 117 17.947 6.065 -0.940 1.00 0.00 O ATOM 268 CG2 THR A 117 15.610 6.664 -1.054 1.00 0.00 C ATOM 0 HA THR A 117 16.385 4.978 0.968 1.00 0.00 H new ATOM 0 HB THR A 117 16.551 5.040 -2.071 1.00 0.00 H new ATOM 0 HG1 THR A 117 18.509 5.410 -0.476 1.00 0.00 H new ATOM 0 HG21 THR A 117 15.833 7.388 -1.837 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.609 6.260 -1.208 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.657 7.155 -0.082 1.00 0.00 H new ATOM 276 N ILE A 118 14.038 4.218 0.705 1.00 0.00 N ATOM 277 CA ILE A 118 12.666 3.733 0.616 1.00 0.00 C ATOM 278 C ILE A 118 11.927 4.385 -0.548 1.00 0.00 C ATOM 279 O ILE A 118 11.787 5.608 -0.603 1.00 0.00 O ATOM 280 CB ILE A 118 11.889 4.000 1.918 1.00 0.00 C ATOM 281 CG1 ILE A 118 12.584 3.324 3.101 1.00 0.00 C ATOM 282 CG2 ILE A 118 10.454 3.510 1.789 1.00 0.00 C ATOM 283 CD1 ILE A 118 11.879 3.541 4.421 1.00 0.00 C ATOM 0 H ILE A 118 14.229 4.795 1.524 1.00 0.00 H new ATOM 0 HA ILE A 118 12.722 2.657 0.451 1.00 0.00 H new ATOM 0 HB ILE A 118 11.871 5.075 2.098 1.00 0.00 H new ATOM 0 HG12 ILE A 118 12.654 2.254 2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 118 13.604 3.701 3.177 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.918 3.706 2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.963 4.034 0.969 1.00 0.00 H new ATOM 0 HG23 ILE A 118 10.452 2.439 1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 118 12.428 3.033 5.214 1.00 0.00 H new ATOM 0 HD12 ILE A 118 11.832 4.608 4.637 1.00 0.00 H new ATOM 0 HD13 ILE A 118 10.868 3.138 4.364 1.00 0.00 H new ATOM 295 N THR A 119 11.453 3.561 -1.477 1.00 0.00 N ATOM 296 CA THR A 119 10.726 4.057 -2.639 1.00 0.00 C ATOM 297 C THR A 119 9.472 3.230 -2.898 1.00 0.00 C ATOM 298 O THR A 119 9.443 2.029 -2.629 1.00 0.00 O ATOM 299 CB THR A 119 11.608 4.040 -3.902 1.00 0.00 C ATOM 300 OG1 THR A 119 12.688 4.969 -3.758 1.00 0.00 O ATOM 301 CG2 THR A 119 10.792 4.390 -5.137 1.00 0.00 C ATOM 0 H THR A 119 11.560 2.547 -1.447 1.00 0.00 H new ATOM 0 HA THR A 119 10.440 5.085 -2.417 1.00 0.00 H new ATOM 0 HB THR A 119 12.009 3.034 -4.025 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.048 5.192 -4.642 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.436 4.372 -6.016 1.00 0.00 H new ATOM 0 HG22 THR A 119 9.989 3.663 -5.260 1.00 0.00 H new ATOM 0 HG23 THR A 119 10.365 5.386 -5.021 1.00 0.00 H new ATOM 309 N ARG A 120 8.438 3.880 -3.422 1.00 0.00 N ATOM 310 CA ARG A 120 7.181 3.204 -3.717 1.00 0.00 C ATOM 311 C ARG A 120 7.195 2.619 -5.126 1.00 0.00 C ATOM 312 O ARG A 120 7.391 3.338 -6.106 1.00 0.00 O ATOM 313 CB ARG A 120 6.008 4.174 -3.568 1.00 0.00 C ATOM 314 CG ARG A 120 6.187 5.178 -2.440 1.00 0.00 C ATOM 315 CD ARG A 120 6.632 6.533 -2.966 1.00 0.00 C ATOM 316 NE ARG A 120 7.249 7.349 -1.923 1.00 0.00 N ATOM 317 CZ ARG A 120 7.673 8.593 -2.118 1.00 0.00 C ATOM 318 NH1 ARG A 120 7.548 9.161 -3.309 1.00 0.00 N ATOM 319 NH2 ARG A 120 8.223 9.271 -1.119 1.00 0.00 N ATOM 0 H ARG A 120 8.446 4.874 -3.651 1.00 0.00 H new ATOM 0 HA ARG A 120 7.061 2.388 -3.005 1.00 0.00 H new ATOM 0 HB2 ARG A 120 5.873 4.714 -4.505 1.00 0.00 H new ATOM 0 HB3 ARG A 120 5.096 3.604 -3.394 1.00 0.00 H new ATOM 0 HG2 ARG A 120 5.248 5.288 -1.897 1.00 0.00 H new ATOM 0 HG3 ARG A 120 6.924 4.802 -1.730 1.00 0.00 H new ATOM 0 HD2 ARG A 120 7.341 6.390 -3.782 1.00 0.00 H new ATOM 0 HD3 ARG A 120 5.773 7.062 -3.379 1.00 0.00 H new ATOM 0 HE ARG A 120 7.360 6.942 -0.995 1.00 0.00 H new ATOM 0 HH11 ARG A 120 7.125 8.643 -4.079 1.00 0.00 H new ATOM 0 HH12 ARG A 120 7.875 10.116 -3.455 1.00 0.00 H new ATOM 0 HH21 ARG A 120 8.320 8.837 -0.201 1.00 0.00 H new ATOM 0 HH22 ARG A 120 8.548 10.226 -1.269 1.00 0.00 H new ATOM 333 N CYS A 121 6.986 1.310 -5.220 1.00 0.00 N ATOM 334 CA CYS A 121 6.976 0.627 -6.508 1.00 0.00 C ATOM 335 C CYS A 121 5.756 1.033 -7.329 1.00 0.00 C ATOM 336 O CYS A 121 4.902 1.787 -6.862 1.00 0.00 O ATOM 337 CB CYS A 121 6.986 -0.890 -6.305 1.00 0.00 C ATOM 338 SG CYS A 121 8.484 -1.520 -5.482 1.00 0.00 S ATOM 0 H CYS A 121 6.821 0.701 -4.419 1.00 0.00 H new ATOM 0 HA CYS A 121 7.873 0.920 -7.053 1.00 0.00 H new ATOM 0 HB2 CYS A 121 6.114 -1.173 -5.715 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.886 -1.376 -7.275 1.00 0.00 H new ATOM 343 N LYS A 122 5.681 0.528 -8.556 1.00 0.00 N ATOM 344 CA LYS A 122 4.566 0.836 -9.443 1.00 0.00 C ATOM 345 C LYS A 122 3.401 -0.120 -9.205 1.00 0.00 C ATOM 346 O LYS A 122 3.558 -1.197 -8.630 1.00 0.00 O ATOM 347 CB LYS A 122 5.013 0.757 -10.905 1.00 0.00 C ATOM 348 CG LYS A 122 6.483 1.083 -11.109 1.00 0.00 C ATOM 349 CD LYS A 122 6.802 1.323 -12.575 1.00 0.00 C ATOM 350 CE LYS A 122 8.303 1.351 -12.821 1.00 0.00 C ATOM 351 NZ LYS A 122 8.634 1.884 -14.171 1.00 0.00 N ATOM 0 H LYS A 122 6.380 -0.097 -8.959 1.00 0.00 H new ATOM 0 HA LYS A 122 4.231 1.850 -9.226 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.816 -0.246 -11.283 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.411 1.445 -11.498 1.00 0.00 H new ATOM 0 HG2 LYS A 122 6.744 1.968 -10.529 1.00 0.00 H new ATOM 0 HG3 LYS A 122 7.094 0.263 -10.732 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.347 0.539 -13.181 1.00 0.00 H new ATOM 0 HD3 LYS A 122 6.362 2.268 -12.894 1.00 0.00 H new ATOM 0 HE2 LYS A 122 8.784 1.965 -12.060 1.00 0.00 H new ATOM 0 HE3 LYS A 122 8.706 0.344 -12.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 9.666 1.887 -14.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 8.196 1.283 -14.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 8.272 2.855 -14.259 1.00 0.00 H new ATOM 365 N PRO A 123 2.204 0.280 -9.659 1.00 0.00 N ATOM 366 CA PRO A 123 0.990 -0.528 -9.509 1.00 0.00 C ATOM 367 C PRO A 123 1.013 -1.778 -10.382 1.00 0.00 C ATOM 368 O PRO A 123 0.408 -2.794 -10.043 1.00 0.00 O ATOM 369 CB PRO A 123 -0.125 0.419 -9.960 1.00 0.00 C ATOM 370 CG PRO A 123 0.544 1.380 -10.880 1.00 0.00 C ATOM 371 CD PRO A 123 1.943 1.551 -10.355 1.00 0.00 C ATOM 0 HA PRO A 123 0.869 -0.896 -8.490 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -0.924 -0.123 -10.466 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -0.576 0.932 -9.111 1.00 0.00 H new ATOM 0 HG2 PRO A 123 0.554 1.000 -11.901 1.00 0.00 H new ATOM 0 HG3 PRO A 123 0.016 2.333 -10.900 1.00 0.00 H new ATOM 0 HD2 PRO A 123 2.657 1.722 -11.161 1.00 0.00 H new ATOM 0 HD3 PRO A 123 2.017 2.402 -9.678 1.00 0.00 H new ATOM 379 N GLU A 124 1.716 -1.695 -11.508 1.00 0.00 N ATOM 380 CA GLU A 124 1.817 -2.820 -12.430 1.00 0.00 C ATOM 381 C GLU A 124 2.764 -3.886 -11.886 1.00 0.00 C ATOM 382 O GLU A 124 2.628 -5.069 -12.197 1.00 0.00 O ATOM 383 CB GLU A 124 2.301 -2.343 -13.801 1.00 0.00 C ATOM 384 CG GLU A 124 1.736 -0.994 -14.211 1.00 0.00 C ATOM 385 CD GLU A 124 0.223 -0.941 -14.112 1.00 0.00 C ATOM 386 OE1 GLU A 124 -0.411 -2.016 -14.154 1.00 0.00 O ATOM 387 OE2 GLU A 124 -0.325 0.175 -13.994 1.00 0.00 O ATOM 0 H GLU A 124 2.223 -0.861 -11.803 1.00 0.00 H new ATOM 0 HA GLU A 124 0.825 -3.260 -12.536 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.389 -2.284 -13.792 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.028 -3.085 -14.551 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.165 -0.217 -13.579 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.037 -0.774 -15.235 1.00 0.00 H new ATOM 394 N ASP A 125 3.723 -3.457 -11.073 1.00 0.00 N ATOM 395 CA ASP A 125 4.693 -4.373 -10.485 1.00 0.00 C ATOM 396 C ASP A 125 4.031 -5.273 -9.447 1.00 0.00 C ATOM 397 O ASP A 125 2.829 -5.170 -9.196 1.00 0.00 O ATOM 398 CB ASP A 125 5.840 -3.591 -9.842 1.00 0.00 C ATOM 399 CG ASP A 125 6.984 -3.345 -10.806 1.00 0.00 C ATOM 400 OD1 ASP A 125 6.881 -3.778 -11.973 1.00 0.00 O ATOM 401 OD2 ASP A 125 7.984 -2.720 -10.394 1.00 0.00 O ATOM 0 H ASP A 125 3.849 -2.481 -10.806 1.00 0.00 H new ATOM 0 HA ASP A 125 5.092 -5.000 -11.282 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.464 -2.635 -9.477 1.00 0.00 H new ATOM 0 HB3 ASP A 125 6.210 -4.140 -8.976 1.00 0.00 H new ATOM 406 N THR A 126 4.821 -6.157 -8.847 1.00 0.00 N ATOM 407 CA THR A 126 4.311 -7.078 -7.838 1.00 0.00 C ATOM 408 C THR A 126 5.399 -7.456 -6.839 1.00 0.00 C ATOM 409 O THR A 126 5.140 -7.580 -5.643 1.00 0.00 O ATOM 410 CB THR A 126 3.751 -8.361 -8.480 1.00 0.00 C ATOM 411 OG1 THR A 126 4.764 -8.997 -9.267 1.00 0.00 O ATOM 412 CG2 THR A 126 2.546 -8.047 -9.353 1.00 0.00 C ATOM 0 H THR A 126 5.817 -6.255 -9.042 1.00 0.00 H new ATOM 0 HA THR A 126 3.506 -6.561 -7.316 1.00 0.00 H new ATOM 0 HB THR A 126 3.436 -9.033 -7.682 1.00 0.00 H new ATOM 0 HG1 THR A 126 4.401 -9.813 -9.671 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.168 -8.968 -9.796 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.766 -7.589 -8.745 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.840 -7.358 -10.145 1.00 0.00 H new ATOM 420 N ALA A 127 6.617 -7.638 -7.338 1.00 0.00 N ATOM 421 CA ALA A 127 7.745 -8.000 -6.489 1.00 0.00 C ATOM 422 C ALA A 127 8.887 -7.000 -6.637 1.00 0.00 C ATOM 423 O ALA A 127 8.793 -6.045 -7.409 1.00 0.00 O ATOM 424 CB ALA A 127 8.225 -9.405 -6.819 1.00 0.00 C ATOM 0 H ALA A 127 6.848 -7.541 -8.327 1.00 0.00 H new ATOM 0 HA ALA A 127 7.409 -7.977 -5.452 1.00 0.00 H new ATOM 0 HB1 ALA A 127 9.068 -9.662 -6.177 1.00 0.00 H new ATOM 0 HB2 ALA A 127 7.414 -10.115 -6.654 1.00 0.00 H new ATOM 0 HB3 ALA A 127 8.538 -9.447 -7.862 1.00 0.00 H new ATOM 430 N CYS A 128 9.964 -7.224 -5.891 1.00 0.00 N ATOM 431 CA CYS A 128 11.124 -6.343 -5.938 1.00 0.00 C ATOM 432 C CYS A 128 12.323 -7.054 -6.558 1.00 0.00 C ATOM 433 O CYS A 128 12.343 -8.280 -6.664 1.00 0.00 O ATOM 434 CB CYS A 128 11.477 -5.855 -4.532 1.00 0.00 C ATOM 435 SG CYS A 128 10.164 -4.879 -3.731 1.00 0.00 S ATOM 0 H CYS A 128 10.057 -8.009 -5.246 1.00 0.00 H new ATOM 0 HA CYS A 128 10.872 -5.485 -6.561 1.00 0.00 H new ATOM 0 HB2 CYS A 128 11.706 -6.718 -3.907 1.00 0.00 H new ATOM 0 HB3 CYS A 128 12.383 -5.251 -4.586 1.00 0.00 H new ATOM 440 N MET A 129 13.320 -6.276 -6.965 1.00 0.00 N ATOM 441 CA MET A 129 14.524 -6.832 -7.573 1.00 0.00 C ATOM 442 C MET A 129 15.777 -6.212 -6.962 1.00 0.00 C ATOM 443 O MET A 129 15.786 -5.037 -6.596 1.00 0.00 O ATOM 444 CB MET A 129 14.511 -6.600 -9.085 1.00 0.00 C ATOM 445 CG MET A 129 15.008 -7.792 -9.887 1.00 0.00 C ATOM 446 SD MET A 129 14.777 -7.580 -11.662 1.00 0.00 S ATOM 447 CE MET A 129 14.059 -9.161 -12.101 1.00 0.00 C ATOM 0 H MET A 129 13.319 -5.259 -6.885 1.00 0.00 H new ATOM 0 HA MET A 129 14.538 -7.904 -7.378 1.00 0.00 H new ATOM 0 HB2 MET A 129 13.495 -6.360 -9.399 1.00 0.00 H new ATOM 0 HB3 MET A 129 15.130 -5.733 -9.317 1.00 0.00 H new ATOM 0 HG2 MET A 129 16.066 -7.949 -9.679 1.00 0.00 H new ATOM 0 HG3 MET A 129 14.482 -8.689 -9.561 1.00 0.00 H new ATOM 0 HE1 MET A 129 13.858 -9.185 -13.172 1.00 0.00 H new ATOM 0 HE2 MET A 129 14.754 -9.960 -11.844 1.00 0.00 H new ATOM 0 HE3 MET A 129 13.127 -9.302 -11.554 1.00 0.00 H new ATOM 457 N THR A 130 16.834 -7.011 -6.854 1.00 0.00 N ATOM 458 CA THR A 130 18.092 -6.542 -6.286 1.00 0.00 C ATOM 459 C THR A 130 19.284 -7.100 -7.055 1.00 0.00 C ATOM 460 O THR A 130 19.321 -8.284 -7.391 1.00 0.00 O ATOM 461 CB THR A 130 18.221 -6.937 -4.803 1.00 0.00 C ATOM 462 OG1 THR A 130 17.104 -6.434 -4.063 1.00 0.00 O ATOM 463 CG2 THR A 130 19.514 -6.398 -4.210 1.00 0.00 C ATOM 0 H THR A 130 16.844 -7.986 -7.153 1.00 0.00 H new ATOM 0 HA THR A 130 18.089 -5.455 -6.365 1.00 0.00 H new ATOM 0 HB THR A 130 18.237 -8.025 -4.740 1.00 0.00 H new ATOM 0 HG1 THR A 130 16.361 -7.070 -4.120 1.00 0.00 H new ATOM 0 HG21 THR A 130 19.583 -6.690 -3.162 1.00 0.00 H new ATOM 0 HG22 THR A 130 20.363 -6.807 -4.757 1.00 0.00 H new ATOM 0 HG23 THR A 130 19.523 -5.311 -4.285 1.00 0.00 H new ATOM 471 N THR A 131 20.260 -6.240 -7.331 1.00 0.00 N ATOM 472 CA THR A 131 21.454 -6.647 -8.060 1.00 0.00 C ATOM 473 C THR A 131 22.711 -6.415 -7.230 1.00 0.00 C ATOM 474 O THR A 131 23.295 -5.330 -7.258 1.00 0.00 O ATOM 475 CB THR A 131 21.585 -5.885 -9.393 1.00 0.00 C ATOM 476 OG1 THR A 131 20.286 -5.619 -9.935 1.00 0.00 O ATOM 477 CG2 THR A 131 22.403 -6.685 -10.395 1.00 0.00 C ATOM 0 H THR A 131 20.246 -5.257 -7.060 1.00 0.00 H new ATOM 0 HA THR A 131 21.350 -7.712 -8.267 1.00 0.00 H new ATOM 0 HB THR A 131 22.097 -4.943 -9.199 1.00 0.00 H new ATOM 0 HG1 THR A 131 19.981 -4.737 -9.635 1.00 0.00 H new ATOM 0 HG21 THR A 131 22.482 -6.127 -11.328 1.00 0.00 H new ATOM 0 HG22 THR A 131 23.400 -6.861 -9.992 1.00 0.00 H new ATOM 0 HG23 THR A 131 21.914 -7.641 -10.584 1.00 0.00 H new ATOM 733 N THR A 148 22.270 -2.421 -8.187 1.00 0.00 N ATOM 734 CA THR A 148 21.055 -1.717 -8.576 1.00 0.00 C ATOM 735 C THR A 148 19.815 -2.425 -8.042 1.00 0.00 C ATOM 736 O THR A 148 19.522 -3.558 -8.424 1.00 0.00 O ATOM 737 CB THR A 148 20.942 -1.594 -10.107 1.00 0.00 C ATOM 738 OG1 THR A 148 21.401 -2.799 -10.730 1.00 0.00 O ATOM 739 CG2 THR A 148 21.754 -0.413 -10.616 1.00 0.00 C ATOM 0 HA THR A 148 21.116 -0.719 -8.142 1.00 0.00 H new ATOM 0 HB THR A 148 19.895 -1.431 -10.360 1.00 0.00 H new ATOM 0 HG1 THR A 148 22.232 -3.092 -10.302 1.00 0.00 H new ATOM 0 HG21 THR A 148 21.659 -0.346 -11.700 1.00 0.00 H new ATOM 0 HG22 THR A 148 21.383 0.506 -10.162 1.00 0.00 H new ATOM 0 HG23 THR A 148 22.802 -0.551 -10.352 1.00 0.00 H new ATOM 747 N ARG A 149 19.089 -1.750 -7.156 1.00 0.00 N ATOM 748 CA ARG A 149 17.880 -2.315 -6.570 1.00 0.00 C ATOM 749 C ARG A 149 16.637 -1.602 -7.094 1.00 0.00 C ATOM 750 O ARG A 149 16.406 -0.431 -6.791 1.00 0.00 O ATOM 751 CB ARG A 149 17.933 -2.215 -5.044 1.00 0.00 C ATOM 752 CG ARG A 149 17.200 -3.342 -4.334 1.00 0.00 C ATOM 753 CD ARG A 149 17.250 -3.173 -2.823 1.00 0.00 C ATOM 754 NE ARG A 149 18.094 -4.181 -2.188 1.00 0.00 N ATOM 755 CZ ARG A 149 19.405 -4.043 -2.022 1.00 0.00 C ATOM 756 NH1 ARG A 149 20.017 -2.945 -2.441 1.00 0.00 N ATOM 757 NH2 ARG A 149 20.105 -5.005 -1.434 1.00 0.00 N ATOM 0 H ARG A 149 19.317 -0.811 -6.829 1.00 0.00 H new ATOM 0 HA ARG A 149 17.824 -3.365 -6.857 1.00 0.00 H new ATOM 0 HB2 ARG A 149 18.975 -2.213 -4.724 1.00 0.00 H new ATOM 0 HB3 ARG A 149 17.503 -1.262 -4.736 1.00 0.00 H new ATOM 0 HG2 ARG A 149 16.162 -3.367 -4.664 1.00 0.00 H new ATOM 0 HG3 ARG A 149 17.646 -4.298 -4.609 1.00 0.00 H new ATOM 0 HD2 ARG A 149 17.628 -2.179 -2.582 1.00 0.00 H new ATOM 0 HD3 ARG A 149 16.240 -3.238 -2.417 1.00 0.00 H new ATOM 0 HE ARG A 149 17.653 -5.038 -1.854 1.00 0.00 H new ATOM 0 HH11 ARG A 149 19.482 -2.203 -2.892 1.00 0.00 H new ATOM 0 HH12 ARG A 149 21.024 -2.841 -2.312 1.00 0.00 H new ATOM 0 HH21 ARG A 149 19.637 -5.851 -1.109 1.00 0.00 H new ATOM 0 HH22 ARG A 149 21.111 -4.899 -1.307 1.00 0.00 H new ATOM 771 N SER A 150 15.839 -2.316 -7.881 1.00 0.00 N ATOM 772 CA SER A 150 14.622 -1.751 -8.451 1.00 0.00 C ATOM 773 C SER A 150 13.469 -2.747 -8.368 1.00 0.00 C ATOM 774 O SER A 150 13.683 -3.953 -8.244 1.00 0.00 O ATOM 775 CB SER A 150 14.856 -1.345 -9.908 1.00 0.00 C ATOM 776 OG SER A 150 15.396 -2.420 -10.656 1.00 0.00 O ATOM 0 H SER A 150 16.014 -3.287 -8.139 1.00 0.00 H new ATOM 0 HA SER A 150 14.357 -0.866 -7.873 1.00 0.00 H new ATOM 0 HB2 SER A 150 13.915 -1.023 -10.355 1.00 0.00 H new ATOM 0 HB3 SER A 150 15.535 -0.493 -9.947 1.00 0.00 H new ATOM 0 HG SER A 150 15.535 -2.136 -11.584 1.00 0.00 H new ATOM 782 N CYS A 151 12.245 -2.234 -8.437 1.00 0.00 N ATOM 783 CA CYS A 151 11.057 -3.076 -8.370 1.00 0.00 C ATOM 784 C CYS A 151 10.940 -3.952 -9.614 1.00 0.00 C ATOM 785 O CYS A 151 11.623 -3.724 -10.612 1.00 0.00 O ATOM 786 CB CYS A 151 9.803 -2.213 -8.219 1.00 0.00 C ATOM 787 SG CYS A 151 9.918 -0.956 -6.906 1.00 0.00 S ATOM 0 H CYS A 151 12.050 -1.238 -8.539 1.00 0.00 H new ATOM 0 HA CYS A 151 11.150 -3.725 -7.499 1.00 0.00 H new ATOM 0 HB2 CYS A 151 9.602 -1.715 -9.167 1.00 0.00 H new ATOM 0 HB3 CYS A 151 8.952 -2.861 -8.013 1.00 0.00 H new ATOM 792 N SER A 152 10.069 -4.953 -9.545 1.00 0.00 N ATOM 793 CA SER A 152 9.864 -5.866 -10.664 1.00 0.00 C ATOM 794 C SER A 152 8.420 -6.358 -10.706 1.00 0.00 C ATOM 795 O SER A 152 7.656 -6.156 -9.762 1.00 0.00 O ATOM 796 CB SER A 152 10.818 -7.057 -10.559 1.00 0.00 C ATOM 797 OG SER A 152 10.687 -7.915 -11.679 1.00 0.00 O ATOM 0 H SER A 152 9.494 -5.153 -8.727 1.00 0.00 H new ATOM 0 HA SER A 152 10.072 -5.324 -11.586 1.00 0.00 H new ATOM 0 HB2 SER A 152 11.845 -6.699 -10.489 1.00 0.00 H new ATOM 0 HB3 SER A 152 10.611 -7.613 -9.645 1.00 0.00 H new ATOM 0 HG SER A 152 10.896 -8.835 -11.413 1.00 0.00 H new ATOM 803 N SER A 153 8.054 -7.004 -11.809 1.00 0.00 N ATOM 804 CA SER A 153 6.701 -7.521 -11.978 1.00 0.00 C ATOM 805 C SER A 153 6.716 -9.039 -12.135 1.00 0.00 C ATOM 806 O SER A 153 5.690 -9.654 -12.424 1.00 0.00 O ATOM 807 CB SER A 153 6.034 -6.878 -13.195 1.00 0.00 C ATOM 808 OG SER A 153 6.936 -6.791 -14.284 1.00 0.00 O ATOM 0 H SER A 153 8.675 -7.182 -12.598 1.00 0.00 H new ATOM 0 HA SER A 153 6.129 -7.270 -11.085 1.00 0.00 H new ATOM 0 HB2 SER A 153 5.162 -7.463 -13.487 1.00 0.00 H new ATOM 0 HB3 SER A 153 5.677 -5.882 -12.934 1.00 0.00 H new ATOM 0 HG SER A 153 6.485 -6.378 -15.050 1.00 0.00 H new ATOM 814 N SER A 154 7.888 -9.636 -11.942 1.00 0.00 N ATOM 815 CA SER A 154 8.039 -11.081 -12.066 1.00 0.00 C ATOM 816 C SER A 154 9.376 -11.539 -11.491 1.00 0.00 C ATOM 817 O SER A 154 10.384 -11.590 -12.197 1.00 0.00 O ATOM 818 CB SER A 154 7.930 -11.503 -13.533 1.00 0.00 C ATOM 819 OG SER A 154 8.569 -10.565 -14.382 1.00 0.00 O ATOM 0 H SER A 154 8.746 -9.141 -11.699 1.00 0.00 H new ATOM 0 HA SER A 154 7.238 -11.555 -11.499 1.00 0.00 H new ATOM 0 HB2 SER A 154 8.382 -12.486 -13.667 1.00 0.00 H new ATOM 0 HB3 SER A 154 6.880 -11.594 -13.811 1.00 0.00 H new ATOM 0 HG SER A 154 8.487 -10.858 -15.314 1.00 0.00 H new ATOM 825 N CYS A 155 9.377 -11.871 -10.205 1.00 0.00 N ATOM 826 CA CYS A 155 10.589 -12.324 -9.533 1.00 0.00 C ATOM 827 C CYS A 155 11.012 -13.699 -10.042 1.00 0.00 C ATOM 828 O CYS A 155 10.357 -14.704 -9.766 1.00 0.00 O ATOM 829 CB CYS A 155 10.369 -12.374 -8.019 1.00 0.00 C ATOM 830 SG CYS A 155 11.583 -13.397 -7.125 1.00 0.00 S ATOM 0 H CYS A 155 8.552 -11.835 -9.607 1.00 0.00 H new ATOM 0 HA CYS A 155 11.385 -11.613 -9.755 1.00 0.00 H new ATOM 0 HB2 CYS A 155 10.404 -11.359 -7.624 1.00 0.00 H new ATOM 0 HB3 CYS A 155 9.369 -12.759 -7.820 1.00 0.00 H new ATOM 835 N VAL A 156 12.112 -13.735 -10.787 1.00 0.00 N ATOM 836 CA VAL A 156 12.624 -14.985 -11.334 1.00 0.00 C ATOM 837 C VAL A 156 14.140 -14.937 -11.491 1.00 0.00 C ATOM 838 O VAL A 156 14.681 -14.021 -12.109 1.00 0.00 O ATOM 839 CB VAL A 156 11.988 -15.302 -12.701 1.00 0.00 C ATOM 840 CG1 VAL A 156 10.548 -15.760 -12.526 1.00 0.00 C ATOM 841 CG2 VAL A 156 12.063 -14.090 -13.617 1.00 0.00 C ATOM 0 H VAL A 156 12.666 -12.912 -11.025 1.00 0.00 H new ATOM 0 HA VAL A 156 12.359 -15.771 -10.627 1.00 0.00 H new ATOM 0 HB VAL A 156 12.549 -16.114 -13.164 1.00 0.00 H new ATOM 0 HG11 VAL A 156 10.115 -15.979 -13.502 1.00 0.00 H new ATOM 0 HG12 VAL A 156 10.524 -16.658 -11.908 1.00 0.00 H new ATOM 0 HG13 VAL A 156 9.972 -14.971 -12.042 1.00 0.00 H new ATOM 0 HG21 VAL A 156 11.609 -14.332 -14.578 1.00 0.00 H new ATOM 0 HG22 VAL A 156 11.528 -13.257 -13.162 1.00 0.00 H new ATOM 0 HG23 VAL A 156 13.106 -13.812 -13.768 1.00 0.00 H new ATOM 987 N LEU A 168 24.215 -11.168 -8.888 1.00 0.00 N ATOM 988 CA LEU A 168 23.310 -11.808 -7.939 1.00 0.00 C ATOM 989 C LEU A 168 21.945 -11.127 -7.945 1.00 0.00 C ATOM 990 O LEU A 168 21.787 -10.026 -7.417 1.00 0.00 O ATOM 991 CB LEU A 168 23.906 -11.768 -6.530 1.00 0.00 C ATOM 992 CG LEU A 168 24.855 -12.911 -6.170 1.00 0.00 C ATOM 993 CD1 LEU A 168 24.085 -14.212 -6.006 1.00 0.00 C ATOM 994 CD2 LEU A 168 25.938 -13.060 -7.229 1.00 0.00 C ATOM 0 HA LEU A 168 23.179 -12.847 -8.243 1.00 0.00 H new ATOM 0 HB2 LEU A 168 24.442 -10.826 -6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 168 23.087 -11.762 -5.811 1.00 0.00 H new ATOM 0 HG LEU A 168 25.334 -12.674 -5.220 1.00 0.00 H new ATOM 0 HD11 LEU A 168 24.777 -15.014 -5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 168 23.348 -14.101 -5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 168 23.578 -14.455 -6.940 1.00 0.00 H new ATOM 0 HD21 LEU A 168 26.604 -13.878 -6.956 1.00 0.00 H new ATOM 0 HD22 LEU A 168 25.477 -13.274 -8.193 1.00 0.00 H new ATOM 0 HD23 LEU A 168 26.510 -12.134 -7.298 1.00 0.00 H new ATOM 1006 N ILE A 169 20.962 -11.791 -8.543 1.00 0.00 N ATOM 1007 CA ILE A 169 19.610 -11.252 -8.615 1.00 0.00 C ATOM 1008 C ILE A 169 18.779 -11.689 -7.413 1.00 0.00 C ATOM 1009 O ILE A 169 18.388 -12.852 -7.305 1.00 0.00 O ATOM 1010 CB ILE A 169 18.895 -11.693 -9.906 1.00 0.00 C ATOM 1011 CG1 ILE A 169 19.798 -11.461 -11.119 1.00 0.00 C ATOM 1012 CG2 ILE A 169 17.581 -10.945 -10.066 1.00 0.00 C ATOM 1013 CD1 ILE A 169 20.438 -12.726 -11.647 1.00 0.00 C ATOM 0 H ILE A 169 21.077 -12.703 -8.985 1.00 0.00 H new ATOM 0 HA ILE A 169 19.704 -10.166 -8.614 1.00 0.00 H new ATOM 0 HB ILE A 169 18.677 -12.759 -9.837 1.00 0.00 H new ATOM 0 HG12 ILE A 169 19.213 -11.000 -11.915 1.00 0.00 H new ATOM 0 HG13 ILE A 169 20.581 -10.753 -10.849 1.00 0.00 H new ATOM 0 HG21 ILE A 169 17.088 -11.268 -10.983 1.00 0.00 H new ATOM 0 HG22 ILE A 169 16.936 -11.156 -9.213 1.00 0.00 H new ATOM 0 HG23 ILE A 169 17.776 -9.874 -10.117 1.00 0.00 H new ATOM 0 HD11 ILE A 169 21.064 -12.486 -12.506 1.00 0.00 H new ATOM 0 HD12 ILE A 169 21.051 -13.177 -10.866 1.00 0.00 H new ATOM 0 HD13 ILE A 169 19.661 -13.428 -11.949 1.00 0.00 H new ATOM 1025 N PHE A 170 18.513 -10.750 -6.512 1.00 0.00 N ATOM 1026 CA PHE A 170 17.727 -11.037 -5.317 1.00 0.00 C ATOM 1027 C PHE A 170 16.371 -10.341 -5.377 1.00 0.00 C ATOM 1028 O PHE A 170 16.280 -9.121 -5.241 1.00 0.00 O ATOM 1029 CB PHE A 170 18.486 -10.594 -4.064 1.00 0.00 C ATOM 1030 CG PHE A 170 19.357 -11.669 -3.479 1.00 0.00 C ATOM 1031 CD1 PHE A 170 20.605 -11.936 -4.017 1.00 0.00 C ATOM 1032 CD2 PHE A 170 18.927 -12.412 -2.391 1.00 0.00 C ATOM 1033 CE1 PHE A 170 21.408 -12.925 -3.481 1.00 0.00 C ATOM 1034 CE2 PHE A 170 19.726 -13.402 -1.851 1.00 0.00 C ATOM 1035 CZ PHE A 170 20.969 -13.658 -2.396 1.00 0.00 C ATOM 0 H PHE A 170 18.830 -9.783 -6.586 1.00 0.00 H new ATOM 0 HA PHE A 170 17.561 -12.113 -5.272 1.00 0.00 H new ATOM 0 HB2 PHE A 170 19.104 -9.730 -4.310 1.00 0.00 H new ATOM 0 HB3 PHE A 170 17.769 -10.269 -3.311 1.00 0.00 H new ATOM 0 HD1 PHE A 170 20.954 -11.365 -4.865 1.00 0.00 H new ATOM 0 HD2 PHE A 170 17.956 -12.215 -1.960 1.00 0.00 H new ATOM 0 HE1 PHE A 170 22.379 -13.125 -3.911 1.00 0.00 H new ATOM 0 HE2 PHE A 170 19.379 -13.975 -1.004 1.00 0.00 H new ATOM 0 HZ PHE A 170 21.596 -14.430 -1.975 1.00 0.00 H new ATOM 1045 N CYS A 171 15.318 -11.126 -5.583 1.00 0.00 N ATOM 1046 CA CYS A 171 13.966 -10.587 -5.663 1.00 0.00 C ATOM 1047 C CYS A 171 13.110 -11.092 -4.504 1.00 0.00 C ATOM 1048 O CYS A 171 13.375 -12.153 -3.938 1.00 0.00 O ATOM 1049 CB CYS A 171 13.319 -10.972 -6.995 1.00 0.00 C ATOM 1050 SG CYS A 171 13.405 -12.751 -7.376 1.00 0.00 S ATOM 0 H CYS A 171 15.376 -12.138 -5.698 1.00 0.00 H new ATOM 0 HA CYS A 171 14.030 -9.501 -5.598 1.00 0.00 H new ATOM 0 HB2 CYS A 171 12.273 -10.664 -6.981 1.00 0.00 H new ATOM 0 HB3 CYS A 171 13.804 -10.416 -7.797 1.00 0.00 H new ATOM 1055 N CYS A 172 12.082 -10.325 -4.157 1.00 0.00 N ATOM 1056 CA CYS A 172 11.187 -10.692 -3.067 1.00 0.00 C ATOM 1057 C CYS A 172 9.782 -10.148 -3.311 1.00 0.00 C ATOM 1058 O CYS A 172 9.559 -9.364 -4.233 1.00 0.00 O ATOM 1059 CB CYS A 172 11.726 -10.165 -1.736 1.00 0.00 C ATOM 1060 SG CYS A 172 12.304 -8.439 -1.800 1.00 0.00 S ATOM 0 H CYS A 172 11.848 -9.444 -4.616 1.00 0.00 H new ATOM 0 HA CYS A 172 11.135 -11.780 -3.024 1.00 0.00 H new ATOM 0 HB2 CYS A 172 10.944 -10.247 -0.981 1.00 0.00 H new ATOM 0 HB3 CYS A 172 12.550 -10.801 -1.412 1.00 0.00 H new ATOM 1065 N PHE A 173 8.837 -10.571 -2.477 1.00 0.00 N ATOM 1066 CA PHE A 173 7.454 -10.127 -2.601 1.00 0.00 C ATOM 1067 C PHE A 173 6.981 -9.453 -1.317 1.00 0.00 C ATOM 1068 O PHE A 173 5.804 -9.520 -0.964 1.00 0.00 O ATOM 1069 CB PHE A 173 6.544 -11.312 -2.933 1.00 0.00 C ATOM 1070 CG PHE A 173 7.124 -12.245 -3.958 1.00 0.00 C ATOM 1071 CD1 PHE A 173 7.983 -13.264 -3.579 1.00 0.00 C ATOM 1072 CD2 PHE A 173 6.809 -12.103 -5.299 1.00 0.00 C ATOM 1073 CE1 PHE A 173 8.518 -14.122 -4.520 1.00 0.00 C ATOM 1074 CE2 PHE A 173 7.341 -12.959 -6.245 1.00 0.00 C ATOM 1075 CZ PHE A 173 8.196 -13.971 -5.855 1.00 0.00 C ATOM 0 H PHE A 173 9.004 -11.220 -1.708 1.00 0.00 H new ATOM 0 HA PHE A 173 7.404 -9.400 -3.411 1.00 0.00 H new ATOM 0 HB2 PHE A 173 6.340 -11.870 -2.019 1.00 0.00 H new ATOM 0 HB3 PHE A 173 5.588 -10.935 -3.296 1.00 0.00 H new ATOM 0 HD1 PHE A 173 8.237 -13.389 -2.537 1.00 0.00 H new ATOM 0 HD2 PHE A 173 6.140 -11.314 -5.609 1.00 0.00 H new ATOM 0 HE1 PHE A 173 9.188 -14.911 -4.212 1.00 0.00 H new ATOM 0 HE2 PHE A 173 7.088 -12.837 -7.288 1.00 0.00 H new ATOM 0 HZ PHE A 173 8.612 -14.643 -6.592 1.00 0.00 H new ATOM 1085 N ARG A 174 7.909 -8.802 -0.621 1.00 0.00 N ATOM 1086 CA ARG A 174 7.589 -8.117 0.625 1.00 0.00 C ATOM 1087 C ARG A 174 8.236 -6.736 0.667 1.00 0.00 C ATOM 1088 O ARG A 174 9.386 -6.566 0.264 1.00 0.00 O ATOM 1089 CB ARG A 174 8.054 -8.947 1.823 1.00 0.00 C ATOM 1090 CG ARG A 174 7.219 -10.194 2.061 1.00 0.00 C ATOM 1091 CD ARG A 174 5.941 -9.872 2.821 1.00 0.00 C ATOM 1092 NE ARG A 174 5.365 -11.057 3.449 1.00 0.00 N ATOM 1093 CZ ARG A 174 5.857 -11.620 4.547 1.00 0.00 C ATOM 1094 NH1 ARG A 174 6.929 -11.108 5.135 1.00 0.00 N ATOM 1095 NH2 ARG A 174 5.276 -12.698 5.059 1.00 0.00 N ATOM 0 H ARG A 174 8.888 -8.735 -0.900 1.00 0.00 H new ATOM 0 HA ARG A 174 6.507 -7.994 0.676 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.093 -9.239 1.670 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.026 -8.325 2.718 1.00 0.00 H new ATOM 0 HG2 ARG A 174 6.969 -10.654 1.105 1.00 0.00 H new ATOM 0 HG3 ARG A 174 7.804 -10.923 2.622 1.00 0.00 H new ATOM 0 HD2 ARG A 174 6.152 -9.123 3.585 1.00 0.00 H new ATOM 0 HD3 ARG A 174 5.213 -9.434 2.138 1.00 0.00 H new ATOM 0 HE ARG A 174 4.539 -11.476 3.021 1.00 0.00 H new ATOM 0 HH11 ARG A 174 7.378 -10.280 4.744 1.00 0.00 H new ATOM 0 HH12 ARG A 174 7.305 -11.542 5.978 1.00 0.00 H new ATOM 0 HH21 ARG A 174 4.451 -13.095 4.609 1.00 0.00 H new ATOM 0 HH22 ARG A 174 5.655 -13.130 5.902 1.00 0.00 H new ATOM 1109 N ASP A 175 7.488 -5.753 1.157 1.00 0.00 N ATOM 1110 CA ASP A 175 7.989 -4.386 1.253 1.00 0.00 C ATOM 1111 C ASP A 175 9.252 -4.329 2.106 1.00 0.00 C ATOM 1112 O ASP A 175 9.257 -4.766 3.257 1.00 0.00 O ATOM 1113 CB ASP A 175 6.918 -3.468 1.843 1.00 0.00 C ATOM 1114 CG ASP A 175 5.540 -3.746 1.275 1.00 0.00 C ATOM 1115 OD1 ASP A 175 4.967 -4.806 1.600 1.00 0.00 O ATOM 1116 OD2 ASP A 175 5.035 -2.903 0.504 1.00 0.00 O ATOM 0 H ASP A 175 6.533 -5.877 1.494 1.00 0.00 H new ATOM 0 HA ASP A 175 8.236 -4.044 0.248 1.00 0.00 H new ATOM 0 HB2 ASP A 175 6.893 -3.592 2.926 1.00 0.00 H new ATOM 0 HB3 ASP A 175 7.186 -2.430 1.647 1.00 0.00 H new ATOM 1121 N LEU A 176 10.322 -3.788 1.534 1.00 0.00 N ATOM 1122 CA LEU A 176 11.593 -3.674 2.241 1.00 0.00 C ATOM 1123 C LEU A 176 12.049 -5.032 2.764 1.00 0.00 C ATOM 1124 O LEU A 176 12.611 -5.133 3.855 1.00 0.00 O ATOM 1125 CB LEU A 176 11.466 -2.685 3.401 1.00 0.00 C ATOM 1126 CG LEU A 176 10.778 -1.358 3.080 1.00 0.00 C ATOM 1127 CD1 LEU A 176 10.929 -0.384 4.237 1.00 0.00 C ATOM 1128 CD2 LEU A 176 11.343 -0.760 1.799 1.00 0.00 C ATOM 0 H LEU A 176 10.335 -3.421 0.582 1.00 0.00 H new ATOM 0 HA LEU A 176 12.340 -3.307 1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 176 10.916 -3.170 4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 176 12.465 -2.471 3.780 1.00 0.00 H new ATOM 0 HG LEU A 176 9.715 -1.549 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 176 10.433 0.555 3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 176 10.475 -0.809 5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 176 11.987 -0.198 4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 176 10.842 0.184 1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 176 12.412 -0.584 1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 176 11.181 -1.451 0.972 1.00 0.00 H new ATOM 1140 N CYS A 177 11.806 -6.075 1.977 1.00 0.00 N ATOM 1141 CA CYS A 177 12.192 -7.428 2.358 1.00 0.00 C ATOM 1142 C CYS A 177 13.657 -7.475 2.786 1.00 0.00 C ATOM 1143 O CYS A 177 14.063 -8.350 3.549 1.00 0.00 O ATOM 1144 CB CYS A 177 11.958 -8.395 1.196 1.00 0.00 C ATOM 1145 SG CYS A 177 13.322 -8.454 -0.009 1.00 0.00 S ATOM 0 H CYS A 177 11.343 -6.009 1.071 1.00 0.00 H new ATOM 0 HA CYS A 177 11.574 -7.731 3.203 1.00 0.00 H new ATOM 0 HB2 CYS A 177 11.798 -9.396 1.597 1.00 0.00 H new ATOM 0 HB3 CYS A 177 11.042 -8.109 0.678 1.00 0.00 H new ATOM 1150 N ASN A 178 14.443 -6.527 2.287 1.00 0.00 N ATOM 1151 CA ASN A 178 15.863 -6.460 2.617 1.00 0.00 C ATOM 1152 C ASN A 178 16.359 -5.018 2.592 1.00 0.00 C ATOM 1153 O ASN A 178 16.161 -4.299 1.613 1.00 0.00 O ATOM 1154 CB ASN A 178 16.676 -7.308 1.637 1.00 0.00 C ATOM 1155 CG ASN A 178 16.554 -6.816 0.208 1.00 0.00 C ATOM 1156 OD1 ASN A 178 15.598 -6.125 -0.144 1.00 0.00 O ATOM 1157 ND2 ASN A 178 17.527 -7.170 -0.625 1.00 0.00 N ATOM 0 H ASN A 178 14.122 -5.795 1.653 1.00 0.00 H new ATOM 0 HA ASN A 178 15.996 -6.854 3.625 1.00 0.00 H new ATOM 0 HB2 ASN A 178 17.725 -7.297 1.934 1.00 0.00 H new ATOM 0 HB3 ASN A 178 16.340 -8.344 1.692 1.00 0.00 H new ATOM 0 HD21 ASN A 178 17.500 -6.868 -1.599 1.00 0.00 H new ATOM 0 HD22 ASN A 178 18.301 -7.744 -0.291 1.00 0.00 H new