USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=13 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 180:sc= -0.0597 USER MOD Set 2.1: A 131 THR OG1 : rot 70:sc= 1.37 USER MOD Set 2.2: A 148 THR OG1 : rot 59:sc= 0.228 USER MOD Set 3.1: A 105 THR OG1 : rot 170:sc= -0.529 USER MOD Set 3.2: A 119 THR OG1 : rot 147:sc= 1.22 USER MOD Single : A 100 MET CE :methyl 180:sc= -0.011 (180deg=-0.011) 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= 0.11 USER MOD Single : A 117 THR OG1 : rot 35:sc= 0.344 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.0781 USER MOD Single : A 130 THR OG1 : rot 87:sc= 0.443 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 52:sc= 0.00707 USER MOD Single : A 178 ASN : amide:sc= -1.11 K(o=-1.1,f=-4.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 0.921 -1.316 -0.841 1.00 0.00 N ATOM 2 CA MET A 100 1.666 -1.473 -2.084 1.00 0.00 C ATOM 3 C MET A 100 3.091 -1.944 -1.808 1.00 0.00 C ATOM 4 O MET A 100 3.640 -1.698 -0.733 1.00 0.00 O ATOM 5 CB MET A 100 1.695 -0.153 -2.857 1.00 0.00 C ATOM 6 CG MET A 100 2.333 0.990 -2.085 1.00 0.00 C ATOM 7 SD MET A 100 1.123 2.189 -1.493 1.00 0.00 S ATOM 8 CE MET A 100 1.881 3.724 -2.020 1.00 0.00 C ATOM 0 HA MET A 100 1.162 -2.228 -2.687 1.00 0.00 H new ATOM 0 HB2 MET A 100 2.240 -0.300 -3.789 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.675 0.125 -3.124 1.00 0.00 H new ATOM 0 HG2 MET A 100 2.884 0.587 -1.236 1.00 0.00 H new ATOM 0 HG3 MET A 100 3.057 1.495 -2.724 1.00 0.00 H new ATOM 0 HE1 MET A 100 1.249 4.562 -1.725 1.00 0.00 H new ATOM 0 HE2 MET A 100 2.860 3.826 -1.552 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.996 3.720 -3.104 1.00 0.00 H new ATOM 18 N LEU A 101 3.684 -2.624 -2.784 1.00 0.00 N ATOM 19 CA LEU A 101 5.045 -3.130 -2.645 1.00 0.00 C ATOM 20 C LEU A 101 6.053 -1.986 -2.639 1.00 0.00 C ATOM 21 O LEU A 101 6.074 -1.157 -3.549 1.00 0.00 O ATOM 22 CB LEU A 101 5.366 -4.103 -3.782 1.00 0.00 C ATOM 23 CG LEU A 101 6.300 -5.261 -3.430 1.00 0.00 C ATOM 24 CD1 LEU A 101 7.010 -5.771 -4.675 1.00 0.00 C ATOM 25 CD2 LEU A 101 7.310 -4.831 -2.376 1.00 0.00 C ATOM 0 H LEU A 101 3.244 -2.837 -3.679 1.00 0.00 H new ATOM 0 HA LEU A 101 5.116 -3.656 -1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.429 -4.518 -4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.812 -3.539 -4.601 1.00 0.00 H new ATOM 0 HG LEU A 101 5.701 -6.074 -3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.671 -6.595 -4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.272 -6.119 -5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.597 -4.965 -5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.966 -5.668 -2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.904 -4.001 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.784 -4.515 -1.475 1.00 0.00 H new ATOM 37 N LYS A 102 6.892 -1.949 -1.609 1.00 0.00 N ATOM 38 CA LYS A 102 7.907 -0.909 -1.485 1.00 0.00 C ATOM 39 C LYS A 102 9.301 -1.520 -1.384 1.00 0.00 C ATOM 40 O LYS A 102 9.558 -2.367 -0.528 1.00 0.00 O ATOM 41 CB LYS A 102 7.628 -0.040 -0.257 1.00 0.00 C ATOM 42 CG LYS A 102 6.657 1.097 -0.524 1.00 0.00 C ATOM 43 CD LYS A 102 5.518 1.105 0.483 1.00 0.00 C ATOM 44 CE LYS A 102 5.863 1.940 1.707 1.00 0.00 C ATOM 45 NZ LYS A 102 4.833 1.810 2.774 1.00 0.00 N ATOM 0 H LYS A 102 6.889 -2.628 -0.848 1.00 0.00 H new ATOM 0 HA LYS A 102 7.866 -0.287 -2.379 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.228 -0.668 0.539 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.569 0.374 0.106 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.188 2.048 -0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.252 1.002 -1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.618 1.501 0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.294 0.083 0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.832 1.629 2.098 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.957 2.987 1.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.104 2.394 3.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.913 2.130 2.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.761 0.815 3.068 1.00 0.00 H new ATOM 59 N CYS A 103 10.198 -1.083 -2.261 1.00 0.00 N ATOM 60 CA CYS A 103 11.567 -1.585 -2.270 1.00 0.00 C ATOM 61 C CYS A 103 12.568 -0.434 -2.274 1.00 0.00 C ATOM 62 O CYS A 103 12.314 0.622 -2.853 1.00 0.00 O ATOM 63 CB CYS A 103 11.796 -2.479 -3.490 1.00 0.00 C ATOM 64 SG CYS A 103 10.369 -3.524 -3.925 1.00 0.00 S ATOM 0 H CYS A 103 10.002 -0.382 -2.975 1.00 0.00 H new ATOM 0 HA CYS A 103 11.719 -2.172 -1.364 1.00 0.00 H new ATOM 0 HB2 CYS A 103 12.047 -1.851 -4.345 1.00 0.00 H new ATOM 0 HB3 CYS A 103 12.657 -3.119 -3.301 1.00 0.00 H new ATOM 69 N TYR A 104 13.707 -0.646 -1.624 1.00 0.00 N ATOM 70 CA TYR A 104 14.747 0.374 -1.550 1.00 0.00 C ATOM 71 C TYR A 104 15.413 0.572 -2.908 1.00 0.00 C ATOM 72 O TYR A 104 16.418 -0.069 -3.221 1.00 0.00 O ATOM 73 CB TYR A 104 15.796 -0.012 -0.506 1.00 0.00 C ATOM 74 CG TYR A 104 15.379 0.297 0.914 1.00 0.00 C ATOM 75 CD1 TYR A 104 15.252 1.610 1.351 1.00 0.00 C ATOM 76 CD2 TYR A 104 15.114 -0.723 1.819 1.00 0.00 C ATOM 77 CE1 TYR A 104 14.872 1.897 2.648 1.00 0.00 C ATOM 78 CE2 TYR A 104 14.732 -0.445 3.117 1.00 0.00 C ATOM 79 CZ TYR A 104 14.612 0.867 3.527 1.00 0.00 C ATOM 80 OH TYR A 104 14.234 1.148 4.819 1.00 0.00 O ATOM 0 H TYR A 104 13.934 -1.515 -1.141 1.00 0.00 H new ATOM 0 HA TYR A 104 14.279 1.313 -1.255 1.00 0.00 H new ATOM 0 HB2 TYR A 104 16.005 -1.078 -0.590 1.00 0.00 H new ATOM 0 HB3 TYR A 104 16.725 0.514 -0.725 1.00 0.00 H new ATOM 0 HD1 TYR A 104 15.454 2.420 0.665 1.00 0.00 H new ATOM 0 HD2 TYR A 104 15.208 -1.751 1.502 1.00 0.00 H new ATOM 0 HE1 TYR A 104 14.779 2.923 2.972 1.00 0.00 H new ATOM 0 HE2 TYR A 104 14.528 -1.250 3.807 1.00 0.00 H new ATOM 0 HH TYR A 104 14.088 0.311 5.307 1.00 0.00 H new ATOM 90 N THR A 105 14.847 1.465 -3.714 1.00 0.00 N ATOM 91 CA THR A 105 15.384 1.749 -5.038 1.00 0.00 C ATOM 92 C THR A 105 15.801 3.210 -5.161 1.00 0.00 C ATOM 93 O THR A 105 14.998 4.116 -4.937 1.00 0.00 O ATOM 94 CB THR A 105 14.358 1.425 -6.141 1.00 0.00 C ATOM 95 OG1 THR A 105 13.408 2.490 -6.255 1.00 0.00 O ATOM 96 CG2 THR A 105 13.634 0.122 -5.841 1.00 0.00 C ATOM 0 H THR A 105 14.016 2.004 -3.472 1.00 0.00 H new ATOM 0 HA THR A 105 16.259 1.113 -5.167 1.00 0.00 H new ATOM 0 HB THR A 105 14.894 1.315 -7.084 1.00 0.00 H new ATOM 0 HG1 THR A 105 12.861 2.356 -7.057 1.00 0.00 H new ATOM 0 HG21 THR A 105 12.915 -0.086 -6.634 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.357 -0.692 -5.785 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.110 0.208 -4.889 1.00 0.00 H new ATOM 104 N CYS A 106 17.061 3.432 -5.519 1.00 0.00 N ATOM 105 CA CYS A 106 17.586 4.784 -5.672 1.00 0.00 C ATOM 106 C CYS A 106 17.251 5.344 -7.052 1.00 0.00 C ATOM 107 O CYS A 106 16.630 4.671 -7.874 1.00 0.00 O ATOM 108 CB CYS A 106 19.101 4.792 -5.460 1.00 0.00 C ATOM 109 SG CYS A 106 19.994 3.535 -6.429 1.00 0.00 S ATOM 0 H CYS A 106 17.738 2.693 -5.709 1.00 0.00 H new ATOM 0 HA CYS A 106 17.117 5.417 -4.919 1.00 0.00 H new ATOM 0 HB2 CYS A 106 19.488 5.777 -5.719 1.00 0.00 H new ATOM 0 HB3 CYS A 106 19.310 4.635 -4.402 1.00 0.00 H new ATOM 0 HG CYS A 106 21.268 3.622 -6.184 1.00 0.00 H new ATOM 262 N THR A 117 16.870 4.179 -0.703 1.00 0.00 N ATOM 263 CA THR A 117 15.713 5.059 -0.597 1.00 0.00 C ATOM 264 C THR A 117 14.414 4.287 -0.804 1.00 0.00 C ATOM 265 O THR A 117 14.288 3.508 -1.749 1.00 0.00 O ATOM 266 CB THR A 117 15.784 6.206 -1.623 1.00 0.00 C ATOM 267 OG1 THR A 117 17.130 6.681 -1.734 1.00 0.00 O ATOM 268 CG2 THR A 117 14.868 7.351 -1.217 1.00 0.00 C ATOM 0 HA THR A 117 15.727 5.479 0.409 1.00 0.00 H new ATOM 0 HB THR A 117 15.454 5.822 -2.589 1.00 0.00 H new ATOM 0 HG1 THR A 117 17.751 5.929 -1.637 1.00 0.00 H new ATOM 0 HG21 THR A 117 14.934 8.150 -1.956 1.00 0.00 H new ATOM 0 HG22 THR A 117 13.840 6.993 -1.162 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.172 7.732 -0.242 1.00 0.00 H new ATOM 276 N ILE A 118 13.452 4.509 0.085 1.00 0.00 N ATOM 277 CA ILE A 118 12.162 3.836 -0.002 1.00 0.00 C ATOM 278 C ILE A 118 11.375 4.310 -1.219 1.00 0.00 C ATOM 279 O ILE A 118 10.989 5.477 -1.307 1.00 0.00 O ATOM 280 CB ILE A 118 11.318 4.070 1.265 1.00 0.00 C ATOM 281 CG1 ILE A 118 12.096 3.636 2.509 1.00 0.00 C ATOM 282 CG2 ILE A 118 9.999 3.318 1.169 1.00 0.00 C ATOM 283 CD1 ILE A 118 11.339 3.852 3.801 1.00 0.00 C ATOM 0 H ILE A 118 13.541 5.150 0.874 1.00 0.00 H new ATOM 0 HA ILE A 118 12.368 2.770 -0.099 1.00 0.00 H new ATOM 0 HB ILE A 118 11.101 5.135 1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 118 12.350 2.580 2.419 1.00 0.00 H new ATOM 0 HG13 ILE A 118 13.035 4.188 2.551 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.414 3.493 2.072 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.442 3.670 0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 118 10.195 2.251 1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 118 11.951 3.522 4.641 1.00 0.00 H new ATOM 0 HD12 ILE A 118 11.108 4.911 3.915 1.00 0.00 H new ATOM 0 HD13 ILE A 118 10.412 3.279 3.780 1.00 0.00 H new ATOM 295 N THR A 119 11.137 3.398 -2.156 1.00 0.00 N ATOM 296 CA THR A 119 10.395 3.722 -3.367 1.00 0.00 C ATOM 297 C THR A 119 9.160 2.840 -3.509 1.00 0.00 C ATOM 298 O THR A 119 9.180 1.665 -3.142 1.00 0.00 O ATOM 299 CB THR A 119 11.272 3.563 -4.623 1.00 0.00 C ATOM 300 OG1 THR A 119 12.322 4.537 -4.614 1.00 0.00 O ATOM 301 CG2 THR A 119 10.441 3.718 -5.888 1.00 0.00 C ATOM 0 H THR A 119 11.448 2.428 -2.099 1.00 0.00 H new ATOM 0 HA THR A 119 10.086 4.763 -3.278 1.00 0.00 H new ATOM 0 HB THR A 119 11.704 2.562 -4.612 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.123 4.158 -5.032 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.083 3.602 -6.761 1.00 0.00 H new ATOM 0 HG22 THR A 119 9.661 2.957 -5.907 1.00 0.00 H new ATOM 0 HG23 THR A 119 9.983 4.707 -5.904 1.00 0.00 H new ATOM 309 N ARG A 120 8.087 3.413 -4.043 1.00 0.00 N ATOM 310 CA ARG A 120 6.842 2.677 -4.232 1.00 0.00 C ATOM 311 C ARG A 120 6.828 1.972 -5.586 1.00 0.00 C ATOM 312 O ARG A 120 6.968 2.608 -6.631 1.00 0.00 O ATOM 313 CB ARG A 120 5.645 3.623 -4.125 1.00 0.00 C ATOM 314 CG ARG A 120 5.846 4.750 -3.126 1.00 0.00 C ATOM 315 CD ARG A 120 4.601 5.613 -3.001 1.00 0.00 C ATOM 316 NE ARG A 120 4.825 6.971 -3.489 1.00 0.00 N ATOM 317 CZ ARG A 120 5.575 7.866 -2.856 1.00 0.00 C ATOM 318 NH1 ARG A 120 6.172 7.547 -1.716 1.00 0.00 N ATOM 319 NH2 ARG A 120 5.731 9.082 -3.364 1.00 0.00 N ATOM 0 H ARG A 120 8.054 4.384 -4.353 1.00 0.00 H new ATOM 0 HA ARG A 120 6.772 1.923 -3.448 1.00 0.00 H new ATOM 0 HB2 ARG A 120 5.442 4.051 -5.107 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.764 3.049 -3.840 1.00 0.00 H new ATOM 0 HG2 ARG A 120 6.100 4.333 -2.152 1.00 0.00 H new ATOM 0 HG3 ARG A 120 6.688 5.368 -3.438 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.786 5.156 -3.562 1.00 0.00 H new ATOM 0 HD3 ARG A 120 4.289 5.650 -1.957 1.00 0.00 H new ATOM 0 HE ARG A 120 4.381 7.248 -4.365 1.00 0.00 H new ATOM 0 HH11 ARG A 120 6.056 6.613 -1.323 1.00 0.00 H new ATOM 0 HH12 ARG A 120 6.748 8.236 -1.232 1.00 0.00 H new ATOM 0 HH21 ARG A 120 5.275 9.330 -4.242 1.00 0.00 H new ATOM 0 HH22 ARG A 120 6.307 9.768 -2.877 1.00 0.00 H new ATOM 333 N CYS A 121 6.658 0.655 -5.559 1.00 0.00 N ATOM 334 CA CYS A 121 6.626 -0.138 -6.782 1.00 0.00 C ATOM 335 C CYS A 121 5.256 -0.055 -7.448 1.00 0.00 C ATOM 336 O CYS A 121 4.349 0.612 -6.949 1.00 0.00 O ATOM 337 CB CYS A 121 6.970 -1.597 -6.478 1.00 0.00 C ATOM 338 SG CYS A 121 8.700 -1.864 -5.975 1.00 0.00 S ATOM 0 H CYS A 121 6.540 0.114 -4.703 1.00 0.00 H new ATOM 0 HA CYS A 121 7.369 0.268 -7.468 1.00 0.00 H new ATOM 0 HB2 CYS A 121 6.313 -1.957 -5.686 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.763 -2.200 -7.362 1.00 0.00 H new ATOM 343 N LYS A 122 5.112 -0.737 -8.580 1.00 0.00 N ATOM 344 CA LYS A 122 3.853 -0.743 -9.315 1.00 0.00 C ATOM 345 C LYS A 122 2.930 -1.844 -8.804 1.00 0.00 C ATOM 346 O LYS A 122 3.352 -2.770 -8.110 1.00 0.00 O ATOM 347 CB LYS A 122 4.113 -0.935 -10.811 1.00 0.00 C ATOM 348 CG LYS A 122 5.456 -0.393 -11.269 1.00 0.00 C ATOM 349 CD LYS A 122 5.604 1.083 -10.939 1.00 0.00 C ATOM 350 CE LYS A 122 6.632 1.754 -11.836 1.00 0.00 C ATOM 351 NZ LYS A 122 5.991 2.625 -12.860 1.00 0.00 N ATOM 0 H LYS A 122 5.852 -1.293 -9.008 1.00 0.00 H new ATOM 0 HA LYS A 122 3.365 0.219 -9.157 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.060 -1.998 -11.047 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.321 -0.443 -11.375 1.00 0.00 H new ATOM 0 HG2 LYS A 122 6.258 -0.956 -10.792 1.00 0.00 H new ATOM 0 HG3 LYS A 122 5.561 -0.539 -12.344 1.00 0.00 H new ATOM 0 HD2 LYS A 122 4.641 1.581 -11.052 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.901 1.196 -9.896 1.00 0.00 H new ATOM 0 HE2 LYS A 122 7.312 2.350 -11.227 1.00 0.00 H new ATOM 0 HE3 LYS A 122 7.233 0.992 -12.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 6.725 3.064 -13.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 5.362 2.052 -13.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 5.438 3.368 -12.387 1.00 0.00 H new ATOM 365 N PRO A 123 1.639 -1.745 -9.154 1.00 0.00 N ATOM 366 CA PRO A 123 0.629 -2.726 -8.743 1.00 0.00 C ATOM 367 C PRO A 123 0.815 -4.073 -9.433 1.00 0.00 C ATOM 368 O PRO A 123 0.443 -5.113 -8.892 1.00 0.00 O ATOM 369 CB PRO A 123 -0.689 -2.080 -9.175 1.00 0.00 C ATOM 370 CG PRO A 123 -0.317 -1.172 -10.296 1.00 0.00 C ATOM 371 CD PRO A 123 1.065 -0.669 -9.979 1.00 0.00 C ATOM 0 HA PRO A 123 0.682 -2.944 -7.676 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -1.411 -2.831 -9.497 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -1.147 -1.528 -8.354 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -0.331 -1.702 -11.249 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -1.023 -0.346 -10.380 1.00 0.00 H new ATOM 0 HD2 PRO A 123 1.649 -0.502 -10.884 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.034 0.278 -9.440 1.00 0.00 H new ATOM 379 N GLU A 124 1.393 -4.045 -10.630 1.00 0.00 N ATOM 380 CA GLU A 124 1.627 -5.265 -11.393 1.00 0.00 C ATOM 381 C GLU A 124 2.758 -6.084 -10.777 1.00 0.00 C ATOM 382 O GLU A 124 2.790 -7.308 -10.899 1.00 0.00 O ATOM 383 CB GLU A 124 1.960 -4.927 -12.847 1.00 0.00 C ATOM 384 CG GLU A 124 3.079 -3.910 -12.995 1.00 0.00 C ATOM 385 CD GLU A 124 3.827 -4.052 -14.307 1.00 0.00 C ATOM 386 OE1 GLU A 124 4.786 -4.849 -14.360 1.00 0.00 O ATOM 387 OE2 GLU A 124 3.452 -3.365 -15.280 1.00 0.00 O ATOM 0 H GLU A 124 1.707 -3.192 -11.092 1.00 0.00 H new ATOM 0 HA GLU A 124 0.715 -5.861 -11.366 1.00 0.00 H new ATOM 0 HB2 GLU A 124 2.241 -5.842 -13.369 1.00 0.00 H new ATOM 0 HB3 GLU A 124 1.065 -4.543 -13.336 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.663 -2.905 -12.925 1.00 0.00 H new ATOM 0 HG3 GLU A 124 3.780 -4.023 -12.168 1.00 0.00 H new ATOM 394 N ASP A 125 3.684 -5.398 -10.116 1.00 0.00 N ATOM 395 CA ASP A 125 4.817 -6.060 -9.480 1.00 0.00 C ATOM 396 C ASP A 125 4.441 -6.566 -8.091 1.00 0.00 C ATOM 397 O ASP A 125 3.657 -5.937 -7.380 1.00 0.00 O ATOM 398 CB ASP A 125 6.006 -5.103 -9.384 1.00 0.00 C ATOM 399 CG ASP A 125 6.916 -5.187 -10.593 1.00 0.00 C ATOM 400 OD1 ASP A 125 6.599 -5.958 -11.522 1.00 0.00 O ATOM 401 OD2 ASP A 125 7.947 -4.481 -10.610 1.00 0.00 O ATOM 0 H ASP A 125 3.672 -4.384 -10.007 1.00 0.00 H new ATOM 0 HA ASP A 125 5.098 -6.915 -10.094 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.639 -4.082 -9.279 1.00 0.00 H new ATOM 0 HB3 ASP A 125 6.579 -5.330 -8.485 1.00 0.00 H new ATOM 406 N THR A 126 5.006 -7.708 -7.710 1.00 0.00 N ATOM 407 CA THR A 126 4.729 -8.300 -6.407 1.00 0.00 C ATOM 408 C THR A 126 6.020 -8.603 -5.655 1.00 0.00 C ATOM 409 O THR A 126 6.007 -8.824 -4.445 1.00 0.00 O ATOM 410 CB THR A 126 3.910 -9.597 -6.542 1.00 0.00 C ATOM 411 OG1 THR A 126 4.438 -10.402 -7.603 1.00 0.00 O ATOM 412 CG2 THR A 126 2.446 -9.288 -6.815 1.00 0.00 C ATOM 0 H THR A 126 5.658 -8.241 -8.285 1.00 0.00 H new ATOM 0 HA THR A 126 4.148 -7.569 -5.845 1.00 0.00 H new ATOM 0 HB THR A 126 3.980 -10.143 -5.601 1.00 0.00 H new ATOM 0 HG1 THR A 126 3.913 -11.226 -7.681 1.00 0.00 H new ATOM 0 HG21 THR A 126 1.888 -10.220 -6.906 1.00 0.00 H new ATOM 0 HG22 THR A 126 2.039 -8.701 -5.992 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.360 -8.722 -7.742 1.00 0.00 H new ATOM 420 N ALA A 127 7.134 -8.610 -6.380 1.00 0.00 N ATOM 421 CA ALA A 127 8.434 -8.884 -5.780 1.00 0.00 C ATOM 422 C ALA A 127 9.446 -7.804 -6.147 1.00 0.00 C ATOM 423 O ALA A 127 9.226 -7.021 -7.073 1.00 0.00 O ATOM 424 CB ALA A 127 8.938 -10.252 -6.214 1.00 0.00 C ATOM 0 H ALA A 127 7.162 -8.429 -7.383 1.00 0.00 H new ATOM 0 HA ALA A 127 8.315 -8.880 -4.697 1.00 0.00 H new ATOM 0 HB1 ALA A 127 9.910 -10.443 -5.758 1.00 0.00 H new ATOM 0 HB2 ALA A 127 8.231 -11.018 -5.896 1.00 0.00 H new ATOM 0 HB3 ALA A 127 9.035 -10.276 -7.299 1.00 0.00 H new ATOM 430 N CYS A 128 10.555 -7.766 -5.417 1.00 0.00 N ATOM 431 CA CYS A 128 11.601 -6.781 -5.664 1.00 0.00 C ATOM 432 C CYS A 128 12.837 -7.441 -6.268 1.00 0.00 C ATOM 433 O CYS A 128 12.977 -8.664 -6.240 1.00 0.00 O ATOM 434 CB CYS A 128 11.974 -6.065 -4.365 1.00 0.00 C ATOM 435 SG CYS A 128 10.551 -5.383 -3.456 1.00 0.00 S ATOM 0 H CYS A 128 10.753 -8.407 -4.648 1.00 0.00 H new ATOM 0 HA CYS A 128 11.217 -6.050 -6.375 1.00 0.00 H new ATOM 0 HB2 CYS A 128 12.504 -6.763 -3.717 1.00 0.00 H new ATOM 0 HB3 CYS A 128 12.666 -5.255 -4.595 1.00 0.00 H new ATOM 440 N MET A 129 13.732 -6.623 -6.813 1.00 0.00 N ATOM 441 CA MET A 129 14.957 -7.127 -7.421 1.00 0.00 C ATOM 442 C MET A 129 16.157 -6.280 -7.010 1.00 0.00 C ATOM 443 O MET A 129 16.042 -5.067 -6.830 1.00 0.00 O ATOM 444 CB MET A 129 14.827 -7.141 -8.946 1.00 0.00 C ATOM 445 CG MET A 129 15.428 -8.376 -9.596 1.00 0.00 C ATOM 446 SD MET A 129 15.614 -8.200 -11.381 1.00 0.00 S ATOM 447 CE MET A 129 14.762 -9.667 -11.956 1.00 0.00 C ATOM 0 H MET A 129 13.631 -5.609 -6.846 1.00 0.00 H new ATOM 0 HA MET A 129 15.115 -8.146 -7.067 1.00 0.00 H new ATOM 0 HB2 MET A 129 13.772 -7.077 -9.213 1.00 0.00 H new ATOM 0 HB3 MET A 129 15.313 -6.254 -9.352 1.00 0.00 H new ATOM 0 HG2 MET A 129 16.402 -8.578 -9.151 1.00 0.00 H new ATOM 0 HG3 MET A 129 14.795 -9.238 -9.384 1.00 0.00 H new ATOM 0 HE1 MET A 129 14.791 -9.701 -13.045 1.00 0.00 H new ATOM 0 HE2 MET A 129 15.251 -10.554 -11.552 1.00 0.00 H new ATOM 0 HE3 MET A 129 13.725 -9.640 -11.621 1.00 0.00 H new ATOM 457 N THR A 130 17.309 -6.927 -6.861 1.00 0.00 N ATOM 458 CA THR A 130 18.530 -6.233 -6.469 1.00 0.00 C ATOM 459 C THR A 130 19.725 -6.723 -7.279 1.00 0.00 C ATOM 460 O THR A 130 19.793 -7.892 -7.660 1.00 0.00 O ATOM 461 CB THR A 130 18.828 -6.424 -4.970 1.00 0.00 C ATOM 462 OG1 THR A 130 17.602 -6.532 -4.237 1.00 0.00 O ATOM 463 CG2 THR A 130 19.647 -5.263 -4.429 1.00 0.00 C ATOM 0 H THR A 130 17.422 -7.930 -7.006 1.00 0.00 H new ATOM 0 HA THR A 130 18.369 -5.173 -6.668 1.00 0.00 H new ATOM 0 HB THR A 130 19.405 -7.341 -4.851 1.00 0.00 H new ATOM 0 HG1 THR A 130 17.310 -7.467 -4.224 1.00 0.00 H new ATOM 0 HG21 THR A 130 19.845 -5.420 -3.369 1.00 0.00 H new ATOM 0 HG22 THR A 130 20.592 -5.201 -4.969 1.00 0.00 H new ATOM 0 HG23 THR A 130 19.092 -4.334 -4.561 1.00 0.00 H new ATOM 471 N THR A 131 20.667 -5.822 -7.540 1.00 0.00 N ATOM 472 CA THR A 131 21.859 -6.162 -8.305 1.00 0.00 C ATOM 473 C THR A 131 23.126 -5.872 -7.507 1.00 0.00 C ATOM 474 O THR A 131 23.468 -4.714 -7.266 1.00 0.00 O ATOM 475 CB THR A 131 21.914 -5.385 -9.634 1.00 0.00 C ATOM 476 OG1 THR A 131 20.593 -5.219 -10.160 1.00 0.00 O ATOM 477 CG2 THR A 131 22.782 -6.113 -10.650 1.00 0.00 C ATOM 0 H THR A 131 20.627 -4.850 -7.232 1.00 0.00 H new ATOM 0 HA THR A 131 21.804 -7.229 -8.519 1.00 0.00 H new ATOM 0 HB THR A 131 22.352 -4.406 -9.439 1.00 0.00 H new ATOM 0 HG1 THR A 131 20.094 -4.589 -9.599 1.00 0.00 H new ATOM 0 HG21 THR A 131 22.806 -5.546 -11.581 1.00 0.00 H new ATOM 0 HG22 THR A 131 23.795 -6.212 -10.259 1.00 0.00 H new ATOM 0 HG23 THR A 131 22.368 -7.103 -10.839 1.00 0.00 H new ATOM 733 N THR A 148 22.240 -1.967 -8.378 1.00 0.00 N ATOM 734 CA THR A 148 20.976 -1.368 -8.789 1.00 0.00 C ATOM 735 C THR A 148 19.792 -2.185 -8.285 1.00 0.00 C ATOM 736 O THR A 148 19.749 -3.404 -8.455 1.00 0.00 O ATOM 737 CB THR A 148 20.885 -1.244 -10.321 1.00 0.00 C ATOM 738 OG1 THR A 148 21.392 -2.431 -10.940 1.00 0.00 O ATOM 739 CG2 THR A 148 21.666 -0.035 -10.814 1.00 0.00 C ATOM 0 HA THR A 148 20.940 -0.371 -8.349 1.00 0.00 H new ATOM 0 HB THR A 148 19.837 -1.114 -10.591 1.00 0.00 H new ATOM 0 HG1 THR A 148 20.876 -3.206 -10.633 1.00 0.00 H new ATOM 0 HG21 THR A 148 21.587 0.032 -11.899 1.00 0.00 H new ATOM 0 HG22 THR A 148 21.258 0.870 -10.364 1.00 0.00 H new ATOM 0 HG23 THR A 148 22.714 -0.139 -10.532 1.00 0.00 H new ATOM 747 N ARG A 149 18.831 -1.507 -7.665 1.00 0.00 N ATOM 748 CA ARG A 149 17.646 -2.171 -7.137 1.00 0.00 C ATOM 749 C ARG A 149 16.382 -1.642 -7.808 1.00 0.00 C ATOM 750 O ARG A 149 16.196 -0.433 -7.940 1.00 0.00 O ATOM 751 CB ARG A 149 17.555 -1.969 -5.623 1.00 0.00 C ATOM 752 CG ARG A 149 16.905 -3.132 -4.892 1.00 0.00 C ATOM 753 CD ARG A 149 17.059 -2.998 -3.385 1.00 0.00 C ATOM 754 NE ARG A 149 16.961 -4.289 -2.708 1.00 0.00 N ATOM 755 CZ ARG A 149 15.830 -4.978 -2.600 1.00 0.00 C ATOM 756 NH1 ARG A 149 14.708 -4.503 -3.122 1.00 0.00 N ATOM 757 NH2 ARG A 149 15.821 -6.145 -1.969 1.00 0.00 N ATOM 0 H ARG A 149 18.850 -0.498 -7.516 1.00 0.00 H new ATOM 0 HA ARG A 149 17.731 -3.236 -7.351 1.00 0.00 H new ATOM 0 HB2 ARG A 149 18.558 -1.815 -5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 149 16.988 -1.060 -5.419 1.00 0.00 H new ATOM 0 HG2 ARG A 149 15.847 -3.178 -5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 149 17.354 -4.068 -5.223 1.00 0.00 H new ATOM 0 HD2 ARG A 149 18.023 -2.542 -3.158 1.00 0.00 H new ATOM 0 HD3 ARG A 149 16.291 -2.328 -3.000 1.00 0.00 H new ATOM 0 HE ARG A 149 17.807 -4.683 -2.296 1.00 0.00 H new ATOM 0 HH11 ARG A 149 14.711 -3.606 -3.608 1.00 0.00 H new ATOM 0 HH12 ARG A 149 13.841 -5.034 -3.038 1.00 0.00 H new ATOM 0 HH21 ARG A 149 16.683 -6.514 -1.566 1.00 0.00 H new ATOM 0 HH22 ARG A 149 14.952 -6.673 -1.886 1.00 0.00 H new ATOM 771 N SER A 150 15.516 -2.558 -8.231 1.00 0.00 N ATOM 772 CA SER A 150 14.271 -2.184 -8.893 1.00 0.00 C ATOM 773 C SER A 150 13.172 -3.200 -8.597 1.00 0.00 C ATOM 774 O SER A 150 13.436 -4.283 -8.073 1.00 0.00 O ATOM 775 CB SER A 150 14.485 -2.074 -10.404 1.00 0.00 C ATOM 776 OG SER A 150 13.621 -1.105 -10.972 1.00 0.00 O ATOM 0 H SER A 150 15.653 -3.563 -8.127 1.00 0.00 H new ATOM 0 HA SER A 150 13.960 -1.214 -8.505 1.00 0.00 H new ATOM 0 HB2 SER A 150 15.522 -1.806 -10.609 1.00 0.00 H new ATOM 0 HB3 SER A 150 14.307 -3.043 -10.871 1.00 0.00 H new ATOM 0 HG SER A 150 13.778 -1.052 -11.938 1.00 0.00 H new ATOM 782 N CYS A 151 11.938 -2.843 -8.936 1.00 0.00 N ATOM 783 CA CYS A 151 10.797 -3.722 -8.707 1.00 0.00 C ATOM 784 C CYS A 151 10.739 -4.824 -9.760 1.00 0.00 C ATOM 785 O CYS A 151 11.344 -4.711 -10.826 1.00 0.00 O ATOM 786 CB CYS A 151 9.496 -2.917 -8.723 1.00 0.00 C ATOM 787 SG CYS A 151 9.593 -1.329 -7.836 1.00 0.00 S ATOM 0 H CYS A 151 11.702 -1.951 -9.370 1.00 0.00 H new ATOM 0 HA CYS A 151 10.918 -4.186 -7.728 1.00 0.00 H new ATOM 0 HB2 CYS A 151 9.212 -2.726 -9.758 1.00 0.00 H new ATOM 0 HB3 CYS A 151 8.703 -3.520 -8.281 1.00 0.00 H new ATOM 792 N SER A 152 10.007 -5.890 -9.453 1.00 0.00 N ATOM 793 CA SER A 152 9.873 -7.015 -10.371 1.00 0.00 C ATOM 794 C SER A 152 8.527 -7.710 -10.186 1.00 0.00 C ATOM 795 O SER A 152 7.852 -7.519 -9.175 1.00 0.00 O ATOM 796 CB SER A 152 11.010 -8.016 -10.155 1.00 0.00 C ATOM 797 OG SER A 152 10.892 -9.120 -11.035 1.00 0.00 O ATOM 0 H SER A 152 9.498 -5.998 -8.576 1.00 0.00 H new ATOM 0 HA SER A 152 9.927 -6.629 -11.389 1.00 0.00 H new ATOM 0 HB2 SER A 152 11.969 -7.522 -10.313 1.00 0.00 H new ATOM 0 HB3 SER A 152 10.999 -8.367 -9.123 1.00 0.00 H new ATOM 0 HG SER A 152 11.631 -9.744 -10.878 1.00 0.00 H new ATOM 803 N SER A 153 8.144 -8.516 -11.171 1.00 0.00 N ATOM 804 CA SER A 153 6.877 -9.236 -11.121 1.00 0.00 C ATOM 805 C SER A 153 7.110 -10.744 -11.101 1.00 0.00 C ATOM 806 O SER A 153 6.188 -11.529 -11.320 1.00 0.00 O ATOM 807 CB SER A 153 6.004 -8.860 -12.319 1.00 0.00 C ATOM 808 OG SER A 153 6.777 -8.761 -13.502 1.00 0.00 O ATOM 0 H SER A 153 8.693 -8.687 -12.013 1.00 0.00 H new ATOM 0 HA SER A 153 6.363 -8.952 -10.203 1.00 0.00 H new ATOM 0 HB2 SER A 153 5.223 -9.608 -12.453 1.00 0.00 H new ATOM 0 HB3 SER A 153 5.506 -7.910 -12.126 1.00 0.00 H new ATOM 0 HG SER A 153 6.196 -8.521 -14.254 1.00 0.00 H new ATOM 814 N SER A 154 8.351 -11.141 -10.836 1.00 0.00 N ATOM 815 CA SER A 154 8.708 -12.554 -10.790 1.00 0.00 C ATOM 816 C SER A 154 10.131 -12.739 -10.272 1.00 0.00 C ATOM 817 O SER A 154 11.095 -12.680 -11.036 1.00 0.00 O ATOM 818 CB SER A 154 8.574 -13.181 -12.180 1.00 0.00 C ATOM 819 OG SER A 154 9.034 -12.294 -13.185 1.00 0.00 O ATOM 0 H SER A 154 9.126 -10.504 -10.650 1.00 0.00 H new ATOM 0 HA SER A 154 8.023 -13.054 -10.105 1.00 0.00 H new ATOM 0 HB2 SER A 154 9.144 -14.109 -12.221 1.00 0.00 H new ATOM 0 HB3 SER A 154 7.532 -13.439 -12.367 1.00 0.00 H new ATOM 0 HG SER A 154 9.932 -11.976 -12.955 1.00 0.00 H new ATOM 825 N CYS A 155 10.254 -12.962 -8.968 1.00 0.00 N ATOM 826 CA CYS A 155 11.558 -13.155 -8.345 1.00 0.00 C ATOM 827 C CYS A 155 12.187 -14.470 -8.796 1.00 0.00 C ATOM 828 O CYS A 155 11.780 -15.547 -8.361 1.00 0.00 O ATOM 829 CB CYS A 155 11.426 -13.136 -6.821 1.00 0.00 C ATOM 830 SG CYS A 155 12.826 -13.903 -5.944 1.00 0.00 S ATOM 0 H CYS A 155 9.466 -13.014 -8.322 1.00 0.00 H new ATOM 0 HA CYS A 155 12.207 -12.337 -8.657 1.00 0.00 H new ATOM 0 HB2 CYS A 155 11.325 -12.103 -6.489 1.00 0.00 H new ATOM 0 HB3 CYS A 155 10.508 -13.652 -6.540 1.00 0.00 H new ATOM 835 N VAL A 156 13.183 -14.374 -9.671 1.00 0.00 N ATOM 836 CA VAL A 156 13.870 -15.555 -10.180 1.00 0.00 C ATOM 837 C VAL A 156 15.321 -15.240 -10.528 1.00 0.00 C ATOM 838 O VAL A 156 15.634 -14.143 -10.989 1.00 0.00 O ATOM 839 CB VAL A 156 13.165 -16.120 -11.427 1.00 0.00 C ATOM 840 CG1 VAL A 156 11.747 -16.553 -11.089 1.00 0.00 C ATOM 841 CG2 VAL A 156 13.164 -15.093 -12.549 1.00 0.00 C ATOM 0 H VAL A 156 13.532 -13.490 -10.042 1.00 0.00 H new ATOM 0 HA VAL A 156 13.844 -16.303 -9.387 1.00 0.00 H new ATOM 0 HB VAL A 156 13.715 -16.997 -11.768 1.00 0.00 H new ATOM 0 HG11 VAL A 156 11.265 -16.949 -11.983 1.00 0.00 H new ATOM 0 HG12 VAL A 156 11.776 -17.325 -10.320 1.00 0.00 H new ATOM 0 HG13 VAL A 156 11.182 -15.696 -10.722 1.00 0.00 H new ATOM 0 HG21 VAL A 156 12.662 -15.509 -13.422 1.00 0.00 H new ATOM 0 HG22 VAL A 156 12.638 -14.196 -12.221 1.00 0.00 H new ATOM 0 HG23 VAL A 156 14.191 -14.837 -12.809 1.00 0.00 H new ATOM 987 N LEU A 168 25.203 -11.233 -8.744 1.00 0.00 N ATOM 988 CA LEU A 168 24.224 -11.907 -7.897 1.00 0.00 C ATOM 989 C LEU A 168 22.942 -11.089 -7.790 1.00 0.00 C ATOM 990 O LEU A 168 22.971 -9.918 -7.410 1.00 0.00 O ATOM 991 CB LEU A 168 24.807 -12.149 -6.504 1.00 0.00 C ATOM 992 CG LEU A 168 25.633 -13.424 -6.333 1.00 0.00 C ATOM 993 CD1 LEU A 168 24.730 -14.648 -6.334 1.00 0.00 C ATOM 994 CD2 LEU A 168 26.681 -13.532 -7.431 1.00 0.00 C ATOM 0 HA LEU A 168 23.983 -12.866 -8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 168 25.433 -11.297 -6.241 1.00 0.00 H new ATOM 0 HB3 LEU A 168 23.986 -12.174 -5.788 1.00 0.00 H new ATOM 0 HG LEU A 168 26.146 -13.376 -5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 168 25.335 -15.546 -6.211 1.00 0.00 H new ATOM 0 HD12 LEU A 168 24.018 -14.575 -5.512 1.00 0.00 H new ATOM 0 HD13 LEU A 168 24.190 -14.701 -7.279 1.00 0.00 H new ATOM 0 HD21 LEU A 168 27.259 -14.446 -7.293 1.00 0.00 H new ATOM 0 HD22 LEU A 168 26.188 -13.558 -8.403 1.00 0.00 H new ATOM 0 HD23 LEU A 168 27.347 -12.670 -7.384 1.00 0.00 H new ATOM 1006 N ILE A 169 21.818 -11.714 -8.124 1.00 0.00 N ATOM 1007 CA ILE A 169 20.525 -11.044 -8.061 1.00 0.00 C ATOM 1008 C ILE A 169 19.769 -11.424 -6.793 1.00 0.00 C ATOM 1009 O ILE A 169 19.603 -12.605 -6.487 1.00 0.00 O ATOM 1010 CB ILE A 169 19.654 -11.385 -9.285 1.00 0.00 C ATOM 1011 CG1 ILE A 169 20.431 -11.127 -10.578 1.00 0.00 C ATOM 1012 CG2 ILE A 169 18.367 -10.574 -9.263 1.00 0.00 C ATOM 1013 CD1 ILE A 169 21.172 -12.342 -11.091 1.00 0.00 C ATOM 0 H ILE A 169 21.777 -12.683 -8.441 1.00 0.00 H new ATOM 0 HA ILE A 169 20.726 -9.973 -8.054 1.00 0.00 H new ATOM 0 HB ILE A 169 19.394 -12.443 -9.244 1.00 0.00 H new ATOM 0 HG12 ILE A 169 19.738 -10.783 -11.346 1.00 0.00 H new ATOM 0 HG13 ILE A 169 21.145 -10.321 -10.409 1.00 0.00 H new ATOM 0 HG21 ILE A 169 17.763 -10.827 -10.134 1.00 0.00 H new ATOM 0 HG22 ILE A 169 17.808 -10.803 -8.355 1.00 0.00 H new ATOM 0 HG23 ILE A 169 18.607 -9.511 -9.283 1.00 0.00 H new ATOM 0 HD11 ILE A 169 21.700 -12.085 -12.009 1.00 0.00 H new ATOM 0 HD12 ILE A 169 21.890 -12.674 -10.341 1.00 0.00 H new ATOM 0 HD13 ILE A 169 20.461 -13.143 -11.293 1.00 0.00 H new ATOM 1025 N PHE A 170 19.312 -10.416 -6.058 1.00 0.00 N ATOM 1026 CA PHE A 170 18.573 -10.644 -4.822 1.00 0.00 C ATOM 1027 C PHE A 170 17.145 -10.119 -4.937 1.00 0.00 C ATOM 1028 O PHE A 170 16.921 -8.911 -5.029 1.00 0.00 O ATOM 1029 CB PHE A 170 19.283 -9.970 -3.646 1.00 0.00 C ATOM 1030 CG PHE A 170 20.281 -10.858 -2.959 1.00 0.00 C ATOM 1031 CD1 PHE A 170 21.520 -11.100 -3.530 1.00 0.00 C ATOM 1032 CD2 PHE A 170 19.980 -11.449 -1.743 1.00 0.00 C ATOM 1033 CE1 PHE A 170 22.440 -11.917 -2.900 1.00 0.00 C ATOM 1034 CE2 PHE A 170 20.896 -12.267 -1.109 1.00 0.00 C ATOM 1035 CZ PHE A 170 22.128 -12.501 -1.688 1.00 0.00 C ATOM 0 H PHE A 170 19.440 -9.433 -6.297 1.00 0.00 H new ATOM 0 HA PHE A 170 18.533 -11.719 -4.645 1.00 0.00 H new ATOM 0 HB2 PHE A 170 19.791 -9.075 -4.004 1.00 0.00 H new ATOM 0 HB3 PHE A 170 18.538 -9.645 -2.920 1.00 0.00 H new ATOM 0 HD1 PHE A 170 21.770 -10.645 -4.477 1.00 0.00 H new ATOM 0 HD2 PHE A 170 19.019 -11.269 -1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 170 23.402 -12.099 -3.355 1.00 0.00 H new ATOM 0 HE2 PHE A 170 20.649 -12.723 -0.162 1.00 0.00 H new ATOM 0 HZ PHE A 170 22.846 -13.139 -1.194 1.00 0.00 H new ATOM 1045 N CYS A 171 16.182 -11.034 -4.933 1.00 0.00 N ATOM 1046 CA CYS A 171 14.775 -10.666 -5.038 1.00 0.00 C ATOM 1047 C CYS A 171 13.996 -11.138 -3.813 1.00 0.00 C ATOM 1048 O CYS A 171 14.413 -12.065 -3.118 1.00 0.00 O ATOM 1049 CB CYS A 171 14.163 -11.263 -6.307 1.00 0.00 C ATOM 1050 SG CYS A 171 14.512 -13.036 -6.537 1.00 0.00 S ATOM 0 H CYS A 171 16.350 -12.037 -4.858 1.00 0.00 H new ATOM 0 HA CYS A 171 14.713 -9.579 -5.090 1.00 0.00 H new ATOM 0 HB2 CYS A 171 13.083 -11.117 -6.280 1.00 0.00 H new ATOM 0 HB3 CYS A 171 14.538 -10.715 -7.171 1.00 0.00 H new ATOM 1055 N CYS A 172 12.862 -10.495 -3.556 1.00 0.00 N ATOM 1056 CA CYS A 172 12.024 -10.847 -2.417 1.00 0.00 C ATOM 1057 C CYS A 172 10.567 -10.478 -2.679 1.00 0.00 C ATOM 1058 O CYS A 172 10.246 -9.847 -3.686 1.00 0.00 O ATOM 1059 CB CYS A 172 12.521 -10.142 -1.153 1.00 0.00 C ATOM 1060 SG CYS A 172 12.891 -8.374 -1.386 1.00 0.00 S ATOM 0 H CYS A 172 12.502 -9.727 -4.122 1.00 0.00 H new ATOM 0 HA CYS A 172 12.087 -11.925 -2.272 1.00 0.00 H new ATOM 0 HB2 CYS A 172 11.767 -10.245 -0.372 1.00 0.00 H new ATOM 0 HB3 CYS A 172 13.419 -10.647 -0.798 1.00 0.00 H new ATOM 1065 N PHE A 173 9.688 -10.875 -1.764 1.00 0.00 N ATOM 1066 CA PHE A 173 8.265 -10.586 -1.896 1.00 0.00 C ATOM 1067 C PHE A 173 7.746 -9.839 -0.671 1.00 0.00 C ATOM 1068 O PHE A 173 6.587 -9.990 -0.283 1.00 0.00 O ATOM 1069 CB PHE A 173 7.475 -11.883 -2.089 1.00 0.00 C ATOM 1070 CG PHE A 173 7.443 -12.358 -3.513 1.00 0.00 C ATOM 1071 CD1 PHE A 173 6.528 -11.834 -4.412 1.00 0.00 C ATOM 1072 CD2 PHE A 173 8.328 -13.329 -3.954 1.00 0.00 C ATOM 1073 CE1 PHE A 173 6.496 -12.270 -5.723 1.00 0.00 C ATOM 1074 CE2 PHE A 173 8.300 -13.769 -5.264 1.00 0.00 C ATOM 1075 CZ PHE A 173 7.384 -13.238 -6.150 1.00 0.00 C ATOM 0 H PHE A 173 9.936 -11.397 -0.924 1.00 0.00 H new ATOM 0 HA PHE A 173 8.128 -9.952 -2.772 1.00 0.00 H new ATOM 0 HB2 PHE A 173 7.912 -12.662 -1.464 1.00 0.00 H new ATOM 0 HB3 PHE A 173 6.453 -11.732 -1.742 1.00 0.00 H new ATOM 0 HD1 PHE A 173 5.832 -11.076 -4.084 1.00 0.00 H new ATOM 0 HD2 PHE A 173 9.048 -13.747 -3.266 1.00 0.00 H new ATOM 0 HE1 PHE A 173 5.777 -11.854 -6.413 1.00 0.00 H new ATOM 0 HE2 PHE A 173 8.994 -14.528 -5.594 1.00 0.00 H new ATOM 0 HZ PHE A 173 7.362 -13.579 -7.175 1.00 0.00 H new ATOM 1085 N ARG A 174 8.612 -9.034 -0.065 1.00 0.00 N ATOM 1086 CA ARG A 174 8.243 -8.265 1.117 1.00 0.00 C ATOM 1087 C ARG A 174 8.794 -6.845 1.036 1.00 0.00 C ATOM 1088 O ARG A 174 9.937 -6.634 0.629 1.00 0.00 O ATOM 1089 CB ARG A 174 8.761 -8.953 2.382 1.00 0.00 C ATOM 1090 CG ARG A 174 8.013 -10.229 2.731 1.00 0.00 C ATOM 1091 CD ARG A 174 7.227 -10.078 4.024 1.00 0.00 C ATOM 1092 NE ARG A 174 6.879 -11.371 4.607 1.00 0.00 N ATOM 1093 CZ ARG A 174 7.759 -12.173 5.196 1.00 0.00 C ATOM 1094 NH1 ARG A 174 9.033 -11.816 5.280 1.00 0.00 N ATOM 1095 NH2 ARG A 174 7.366 -13.334 5.703 1.00 0.00 N ATOM 0 H ARG A 174 9.575 -8.897 -0.373 1.00 0.00 H new ATOM 0 HA ARG A 174 7.155 -8.212 1.160 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.818 -9.185 2.252 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.688 -8.259 3.219 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.333 -10.487 1.919 1.00 0.00 H new ATOM 0 HG3 ARG A 174 8.721 -11.052 2.828 1.00 0.00 H new ATOM 0 HD2 ARG A 174 7.814 -9.504 4.740 1.00 0.00 H new ATOM 0 HD3 ARG A 174 6.317 -9.511 3.831 1.00 0.00 H new ATOM 0 HE ARG A 174 5.907 -11.675 4.559 1.00 0.00 H new ATOM 0 HH11 ARG A 174 9.339 -10.924 4.892 1.00 0.00 H new ATOM 0 HH12 ARG A 174 9.707 -12.433 5.733 1.00 0.00 H new ATOM 0 HH21 ARG A 174 6.387 -13.612 5.641 1.00 0.00 H new ATOM 0 HH22 ARG A 174 8.043 -13.949 6.155 1.00 0.00 H new ATOM 1109 N ASP A 175 7.975 -5.874 1.425 1.00 0.00 N ATOM 1110 CA ASP A 175 8.380 -4.474 1.397 1.00 0.00 C ATOM 1111 C ASP A 175 9.629 -4.252 2.244 1.00 0.00 C ATOM 1112 O ASP A 175 9.648 -4.567 3.435 1.00 0.00 O ATOM 1113 CB ASP A 175 7.244 -3.581 1.898 1.00 0.00 C ATOM 1114 CG ASP A 175 5.909 -3.938 1.273 1.00 0.00 C ATOM 1115 OD1 ASP A 175 5.386 -5.030 1.575 1.00 0.00 O ATOM 1116 OD2 ASP A 175 5.388 -3.124 0.481 1.00 0.00 O ATOM 0 H ASP A 175 7.026 -6.031 1.764 1.00 0.00 H new ATOM 0 HA ASP A 175 8.611 -4.210 0.365 1.00 0.00 H new ATOM 0 HB2 ASP A 175 7.169 -3.667 2.982 1.00 0.00 H new ATOM 0 HB3 ASP A 175 7.479 -2.540 1.676 1.00 0.00 H new ATOM 1121 N LEU A 176 10.671 -3.711 1.623 1.00 0.00 N ATOM 1122 CA LEU A 176 11.925 -3.448 2.320 1.00 0.00 C ATOM 1123 C LEU A 176 12.475 -4.723 2.952 1.00 0.00 C ATOM 1124 O LEU A 176 13.029 -4.694 4.051 1.00 0.00 O ATOM 1125 CB LEU A 176 11.720 -2.379 3.395 1.00 0.00 C ATOM 1126 CG LEU A 176 10.776 -1.233 3.031 1.00 0.00 C ATOM 1127 CD1 LEU A 176 10.782 -0.170 4.119 1.00 0.00 C ATOM 1128 CD2 LEU A 176 11.164 -0.628 1.689 1.00 0.00 C ATOM 0 H LEU A 176 10.672 -3.446 0.638 1.00 0.00 H new ATOM 0 HA LEU A 176 12.649 -3.085 1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 176 11.340 -2.865 4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 176 12.692 -1.956 3.648 1.00 0.00 H new ATOM 0 HG LEU A 176 9.765 -1.633 2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 176 10.104 0.638 3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 176 10.455 -0.611 5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 176 11.791 0.226 4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 176 10.481 0.186 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 176 12.182 -0.243 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 176 11.106 -1.393 0.915 1.00 0.00 H new ATOM 1140 N CYS A 177 12.319 -5.840 2.249 1.00 0.00 N ATOM 1141 CA CYS A 177 12.800 -7.126 2.740 1.00 0.00 C ATOM 1142 C CYS A 177 14.256 -7.027 3.187 1.00 0.00 C ATOM 1143 O CYS A 177 14.719 -7.819 4.006 1.00 0.00 O ATOM 1144 CB CYS A 177 12.660 -8.194 1.654 1.00 0.00 C ATOM 1145 SG CYS A 177 14.014 -8.197 0.435 1.00 0.00 S ATOM 0 H CYS A 177 11.863 -5.880 1.337 1.00 0.00 H new ATOM 0 HA CYS A 177 12.193 -7.409 3.600 1.00 0.00 H new ATOM 0 HB2 CYS A 177 12.610 -9.174 2.128 1.00 0.00 H new ATOM 0 HB3 CYS A 177 11.715 -8.044 1.131 1.00 0.00 H new ATOM 1150 N ASN A 178 14.971 -6.048 2.642 1.00 0.00 N ATOM 1151 CA ASN A 178 16.374 -5.845 2.985 1.00 0.00 C ATOM 1152 C ASN A 178 16.685 -4.360 3.148 1.00 0.00 C ATOM 1153 O ASN A 178 16.196 -3.526 2.387 1.00 0.00 O ATOM 1154 CB ASN A 178 17.276 -6.451 1.907 1.00 0.00 C ATOM 1155 CG ASN A 178 17.620 -5.457 0.815 1.00 0.00 C ATOM 1156 OD1 ASN A 178 16.739 -4.808 0.251 1.00 0.00 O ATOM 1157 ND2 ASN A 178 18.907 -5.333 0.511 1.00 0.00 N ATOM 0 H ASN A 178 14.602 -5.383 1.962 1.00 0.00 H new ATOM 0 HA ASN A 178 16.567 -6.345 3.934 1.00 0.00 H new ATOM 0 HB2 ASN A 178 18.195 -6.813 2.368 1.00 0.00 H new ATOM 0 HB3 ASN A 178 16.779 -7.315 1.465 1.00 0.00 H new ATOM 0 HD21 ASN A 178 19.199 -4.680 -0.216 1.00 0.00 H new ATOM 0 HD22 ASN A 178 19.604 -5.891 1.004 1.00 0.00 H new