USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 311 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 105 THR OG1 : rot 180:sc= -0.732 USER MOD Set 1.2: A 119 THR OG1 : rot 141:sc= 0.516 USER MOD Single : A 100 MET CE :methyl -122:sc= -0.15 (180deg=-1.32) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= -0.44 USER MOD Single : A 106 CYS SG : rot 180:sc= 0.122 USER MOD Single : A 117 THR OG1 : rot 16:sc= 0.354 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 MET CE :methyl -128:sc= 0 (180deg=-1.97!) USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.315 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 THR OG1 : rot -34:sc= -0.363 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 152 SER OG : rot 180:sc= 0.0196 USER MOD Single : A 153 SER OG : rot 180:sc= 0.00345 USER MOD Single : A 154 SER OG : rot 49:sc= 0.0105 USER MOD Single : A 178 ASN : amide:sc= -1.61 K(o=-1.6,f=-3.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 1.805 -0.397 -0.204 1.00 0.00 N ATOM 2 CA MET A 100 2.416 -0.666 -1.501 1.00 0.00 C ATOM 3 C MET A 100 3.822 -1.233 -1.332 1.00 0.00 C ATOM 4 O MET A 100 4.506 -0.942 -0.349 1.00 0.00 O ATOM 5 CB MET A 100 2.466 0.612 -2.340 1.00 0.00 C ATOM 6 CG MET A 100 2.734 0.360 -3.815 1.00 0.00 C ATOM 7 SD MET A 100 2.055 1.652 -4.874 1.00 0.00 S ATOM 8 CE MET A 100 1.708 0.720 -6.364 1.00 0.00 C ATOM 0 HA MET A 100 1.804 -1.406 -2.017 1.00 0.00 H new ATOM 0 HB2 MET A 100 1.519 1.142 -2.236 1.00 0.00 H new ATOM 0 HB3 MET A 100 3.243 1.266 -1.945 1.00 0.00 H new ATOM 0 HG2 MET A 100 3.809 0.290 -3.978 1.00 0.00 H new ATOM 0 HG3 MET A 100 2.305 -0.601 -4.099 1.00 0.00 H new ATOM 0 HE1 MET A 100 2.249 1.159 -7.202 1.00 0.00 H new ATOM 0 HE2 MET A 100 2.026 -0.314 -6.229 1.00 0.00 H new ATOM 0 HE3 MET A 100 0.638 0.747 -6.569 1.00 0.00 H new ATOM 18 N LEU A 101 4.248 -2.044 -2.295 1.00 0.00 N ATOM 19 CA LEU A 101 5.573 -2.652 -2.252 1.00 0.00 C ATOM 20 C LEU A 101 6.660 -1.604 -2.464 1.00 0.00 C ATOM 21 O LEU A 101 6.641 -0.864 -3.449 1.00 0.00 O ATOM 22 CB LEU A 101 5.688 -3.746 -3.315 1.00 0.00 C ATOM 23 CG LEU A 101 6.558 -4.949 -2.950 1.00 0.00 C ATOM 24 CD1 LEU A 101 7.076 -5.634 -4.205 1.00 0.00 C ATOM 25 CD2 LEU A 101 7.714 -4.519 -2.059 1.00 0.00 C ATOM 0 H LEU A 101 3.695 -2.295 -3.114 1.00 0.00 H new ATOM 0 HA LEU A 101 5.710 -3.096 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.686 -4.105 -3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.086 -3.299 -4.226 1.00 0.00 H new ATOM 0 HG LEU A 101 5.946 -5.662 -2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.693 -6.488 -3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.234 -5.977 -4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.673 -4.929 -4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.323 -5.388 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.326 -3.786 -2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.322 -4.075 -1.144 1.00 0.00 H new ATOM 37 N LYS A 102 7.609 -1.547 -1.536 1.00 0.00 N ATOM 38 CA LYS A 102 8.708 -0.592 -1.622 1.00 0.00 C ATOM 39 C LYS A 102 10.055 -1.306 -1.563 1.00 0.00 C ATOM 40 O LYS A 102 10.248 -2.225 -0.766 1.00 0.00 O ATOM 41 CB LYS A 102 8.611 0.431 -0.488 1.00 0.00 C ATOM 42 CG LYS A 102 7.653 1.573 -0.780 1.00 0.00 C ATOM 43 CD LYS A 102 6.521 1.623 0.232 1.00 0.00 C ATOM 44 CE LYS A 102 6.077 3.052 0.502 1.00 0.00 C ATOM 45 NZ LYS A 102 5.965 3.332 1.961 1.00 0.00 N ATOM 0 H LYS A 102 7.639 -2.151 -0.715 1.00 0.00 H new ATOM 0 HA LYS A 102 8.633 -0.074 -2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.291 -0.077 0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.602 0.840 -0.293 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.197 2.518 -0.766 1.00 0.00 H new ATOM 0 HG3 LYS A 102 7.241 1.457 -1.783 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.676 1.042 -0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.844 1.159 1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.789 3.744 0.053 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.114 3.230 0.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.660 4.316 2.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.267 2.688 2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.890 3.187 2.414 1.00 0.00 H new ATOM 59 N CYS A 103 10.984 -0.877 -2.411 1.00 0.00 N ATOM 60 CA CYS A 103 12.313 -1.474 -2.456 1.00 0.00 C ATOM 61 C CYS A 103 13.390 -0.397 -2.544 1.00 0.00 C ATOM 62 O CYS A 103 13.166 0.675 -3.107 1.00 0.00 O ATOM 63 CB CYS A 103 12.428 -2.426 -3.648 1.00 0.00 C ATOM 64 SG CYS A 103 10.928 -3.410 -3.962 1.00 0.00 S ATOM 0 H CYS A 103 10.840 -0.118 -3.077 1.00 0.00 H new ATOM 0 HA CYS A 103 12.462 -2.038 -1.535 1.00 0.00 H new ATOM 0 HB2 CYS A 103 12.663 -1.846 -4.541 1.00 0.00 H new ATOM 0 HB3 CYS A 103 13.265 -3.103 -3.479 1.00 0.00 H new ATOM 69 N TYR A 104 14.559 -0.690 -1.985 1.00 0.00 N ATOM 70 CA TYR A 104 15.671 0.254 -1.999 1.00 0.00 C ATOM 71 C TYR A 104 16.281 0.357 -3.394 1.00 0.00 C ATOM 72 O TYR A 104 17.347 -0.198 -3.661 1.00 0.00 O ATOM 73 CB TYR A 104 16.741 -0.172 -0.992 1.00 0.00 C ATOM 74 CG TYR A 104 16.398 0.177 0.439 1.00 0.00 C ATOM 75 CD1 TYR A 104 16.184 1.495 0.821 1.00 0.00 C ATOM 76 CD2 TYR A 104 16.289 -0.813 1.408 1.00 0.00 C ATOM 77 CE1 TYR A 104 15.872 1.818 2.128 1.00 0.00 C ATOM 78 CE2 TYR A 104 15.975 -0.499 2.716 1.00 0.00 C ATOM 79 CZ TYR A 104 15.769 0.818 3.071 1.00 0.00 C ATOM 80 OH TYR A 104 15.456 1.135 4.373 1.00 0.00 O ATOM 0 H TYR A 104 14.761 -1.573 -1.517 1.00 0.00 H new ATOM 0 HA TYR A 104 15.286 1.234 -1.718 1.00 0.00 H new ATOM 0 HB2 TYR A 104 16.892 -1.249 -1.068 1.00 0.00 H new ATOM 0 HB3 TYR A 104 17.686 0.302 -1.256 1.00 0.00 H new ATOM 0 HD1 TYR A 104 16.263 2.281 0.084 1.00 0.00 H new ATOM 0 HD2 TYR A 104 16.452 -1.845 1.134 1.00 0.00 H new ATOM 0 HE1 TYR A 104 15.710 2.848 2.409 1.00 0.00 H new ATOM 0 HE2 TYR A 104 15.891 -1.280 3.457 1.00 0.00 H new ATOM 0 HH TYR A 104 15.421 0.316 4.910 1.00 0.00 H new ATOM 90 N THR A 105 15.596 1.072 -4.281 1.00 0.00 N ATOM 91 CA THR A 105 16.068 1.249 -5.648 1.00 0.00 C ATOM 92 C THR A 105 16.640 2.647 -5.856 1.00 0.00 C ATOM 93 O THR A 105 15.973 3.647 -5.589 1.00 0.00 O ATOM 94 CB THR A 105 14.939 1.011 -6.668 1.00 0.00 C ATOM 95 OG1 THR A 105 14.113 2.177 -6.765 1.00 0.00 O ATOM 96 CG2 THR A 105 14.090 -0.185 -6.266 1.00 0.00 C ATOM 0 H THR A 105 14.712 1.538 -4.077 1.00 0.00 H new ATOM 0 HA THR A 105 16.854 0.511 -5.809 1.00 0.00 H new ATOM 0 HB THR A 105 15.393 0.805 -7.638 1.00 0.00 H new ATOM 0 HG1 THR A 105 13.398 2.018 -7.417 1.00 0.00 H new ATOM 0 HG21 THR A 105 13.299 -0.333 -7.001 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.716 -1.076 -6.221 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.646 -0.003 -5.287 1.00 0.00 H new ATOM 104 N CYS A 106 17.877 2.710 -6.335 1.00 0.00 N ATOM 105 CA CYS A 106 18.539 3.986 -6.580 1.00 0.00 C ATOM 106 C CYS A 106 18.119 4.567 -7.927 1.00 0.00 C ATOM 107 O CYS A 106 17.875 3.832 -8.884 1.00 0.00 O ATOM 108 CB CYS A 106 20.059 3.812 -6.539 1.00 0.00 C ATOM 109 SG CYS A 106 20.675 2.417 -7.534 1.00 0.00 S ATOM 0 H CYS A 106 18.442 1.892 -6.562 1.00 0.00 H new ATOM 0 HA CYS A 106 18.238 4.680 -5.795 1.00 0.00 H new ATOM 0 HB2 CYS A 106 20.529 4.731 -6.891 1.00 0.00 H new ATOM 0 HB3 CYS A 106 20.370 3.671 -5.504 1.00 0.00 H new ATOM 0 HG CYS A 106 21.970 2.353 -7.437 1.00 0.00 H new ATOM 262 N THR A 117 18.095 3.834 -1.935 1.00 0.00 N ATOM 263 CA THR A 117 17.053 4.852 -2.004 1.00 0.00 C ATOM 264 C THR A 117 15.666 4.221 -1.975 1.00 0.00 C ATOM 265 O THR A 117 15.360 3.333 -2.772 1.00 0.00 O ATOM 266 CB THR A 117 17.189 5.708 -3.277 1.00 0.00 C ATOM 267 OG1 THR A 117 18.566 5.808 -3.657 1.00 0.00 O ATOM 268 CG2 THR A 117 16.616 7.100 -3.056 1.00 0.00 C ATOM 0 HA THR A 117 17.176 5.491 -1.130 1.00 0.00 H new ATOM 0 HB THR A 117 16.628 5.223 -4.076 1.00 0.00 H new ATOM 0 HG1 THR A 117 19.086 5.124 -3.185 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.723 7.687 -3.968 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.560 7.022 -2.797 1.00 0.00 H new ATOM 0 HG23 THR A 117 17.154 7.590 -2.244 1.00 0.00 H new ATOM 276 N ILE A 118 14.829 4.685 -1.053 1.00 0.00 N ATOM 277 CA ILE A 118 13.473 4.166 -0.922 1.00 0.00 C ATOM 278 C ILE A 118 12.613 4.569 -2.115 1.00 0.00 C ATOM 279 O ILE A 118 12.417 5.756 -2.381 1.00 0.00 O ATOM 280 CB ILE A 118 12.803 4.664 0.372 1.00 0.00 C ATOM 281 CG1 ILE A 118 13.606 4.216 1.594 1.00 0.00 C ATOM 282 CG2 ILE A 118 11.371 4.155 0.456 1.00 0.00 C ATOM 283 CD1 ILE A 118 12.986 4.629 2.910 1.00 0.00 C ATOM 0 H ILE A 118 15.066 5.419 -0.386 1.00 0.00 H new ATOM 0 HA ILE A 118 13.552 3.080 -0.885 1.00 0.00 H new ATOM 0 HB ILE A 118 12.781 5.754 0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 118 13.707 3.131 1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 118 14.612 4.631 1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.910 4.515 1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.804 4.520 -0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.372 3.065 0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 118 13.609 4.277 3.732 1.00 0.00 H new ATOM 0 HD12 ILE A 118 12.910 5.716 2.951 1.00 0.00 H new ATOM 0 HD13 ILE A 118 11.991 4.192 2.997 1.00 0.00 H new ATOM 295 N THR A 119 12.100 3.574 -2.831 1.00 0.00 N ATOM 296 CA THR A 119 11.260 3.824 -3.996 1.00 0.00 C ATOM 297 C THR A 119 9.996 2.972 -3.955 1.00 0.00 C ATOM 298 O THR A 119 10.016 1.837 -3.479 1.00 0.00 O ATOM 299 CB THR A 119 12.016 3.537 -5.306 1.00 0.00 C ATOM 300 OG1 THR A 119 13.073 4.488 -5.480 1.00 0.00 O ATOM 301 CG2 THR A 119 11.074 3.594 -6.499 1.00 0.00 C ATOM 0 H THR A 119 12.251 2.587 -2.625 1.00 0.00 H new ATOM 0 HA THR A 119 10.986 4.879 -3.967 1.00 0.00 H new ATOM 0 HB THR A 119 12.437 2.533 -5.244 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.859 4.039 -5.855 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.631 3.388 -7.413 1.00 0.00 H new ATOM 0 HG22 THR A 119 10.288 2.849 -6.378 1.00 0.00 H new ATOM 0 HG23 THR A 119 10.627 4.586 -6.563 1.00 0.00 H new ATOM 309 N ARG A 120 8.898 3.527 -4.457 1.00 0.00 N ATOM 310 CA ARG A 120 7.624 2.818 -4.477 1.00 0.00 C ATOM 311 C ARG A 120 7.478 1.999 -5.756 1.00 0.00 C ATOM 312 O ARG A 120 7.579 2.532 -6.862 1.00 0.00 O ATOM 313 CB ARG A 120 6.463 3.807 -4.357 1.00 0.00 C ATOM 314 CG ARG A 120 6.766 4.995 -3.459 1.00 0.00 C ATOM 315 CD ARG A 120 5.522 5.469 -2.723 1.00 0.00 C ATOM 316 NE ARG A 120 5.848 6.374 -1.624 1.00 0.00 N ATOM 317 CZ ARG A 120 4.954 6.816 -0.747 1.00 0.00 C ATOM 318 NH1 ARG A 120 3.686 6.439 -0.840 1.00 0.00 N ATOM 319 NH2 ARG A 120 5.327 7.637 0.226 1.00 0.00 N ATOM 0 H ARG A 120 8.865 4.465 -4.855 1.00 0.00 H new ATOM 0 HA ARG A 120 7.602 2.138 -3.625 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.202 4.171 -5.351 1.00 0.00 H new ATOM 0 HB3 ARG A 120 5.589 3.283 -3.970 1.00 0.00 H new ATOM 0 HG2 ARG A 120 7.535 4.720 -2.737 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.169 5.812 -4.058 1.00 0.00 H new ATOM 0 HD2 ARG A 120 4.857 5.974 -3.423 1.00 0.00 H new ATOM 0 HD3 ARG A 120 4.980 4.607 -2.334 1.00 0.00 H new ATOM 0 HE ARG A 120 6.815 6.683 -1.525 1.00 0.00 H new ATOM 0 HH11 ARG A 120 3.395 5.808 -1.587 1.00 0.00 H new ATOM 0 HH12 ARG A 120 3.002 6.780 -0.165 1.00 0.00 H new ATOM 0 HH21 ARG A 120 6.301 7.929 0.301 1.00 0.00 H new ATOM 0 HH22 ARG A 120 4.639 7.976 0.899 1.00 0.00 H new ATOM 333 N CYS A 121 7.241 0.701 -5.598 1.00 0.00 N ATOM 334 CA CYS A 121 7.082 -0.192 -6.739 1.00 0.00 C ATOM 335 C CYS A 121 5.684 -0.067 -7.337 1.00 0.00 C ATOM 336 O CYS A 121 4.846 0.682 -6.835 1.00 0.00 O ATOM 337 CB CYS A 121 7.342 -1.641 -6.319 1.00 0.00 C ATOM 338 SG CYS A 121 9.056 -1.968 -5.796 1.00 0.00 S ATOM 0 H CYS A 121 7.155 0.244 -4.690 1.00 0.00 H new ATOM 0 HA CYS A 121 7.809 0.096 -7.498 1.00 0.00 H new ATOM 0 HB2 CYS A 121 6.669 -1.897 -5.501 1.00 0.00 H new ATOM 0 HB3 CYS A 121 7.096 -2.299 -7.152 1.00 0.00 H new ATOM 343 N LYS A 122 5.439 -0.806 -8.414 1.00 0.00 N ATOM 344 CA LYS A 122 4.143 -0.781 -9.082 1.00 0.00 C ATOM 345 C LYS A 122 3.172 -1.754 -8.421 1.00 0.00 C ATOM 346 O LYS A 122 3.564 -2.643 -7.666 1.00 0.00 O ATOM 347 CB LYS A 122 4.303 -1.130 -10.563 1.00 0.00 C ATOM 348 CG LYS A 122 5.657 -0.749 -11.135 1.00 0.00 C ATOM 349 CD LYS A 122 5.575 -0.474 -12.627 1.00 0.00 C ATOM 350 CE LYS A 122 6.912 -0.713 -13.313 1.00 0.00 C ATOM 351 NZ LYS A 122 7.142 0.244 -14.430 1.00 0.00 N ATOM 0 H LYS A 122 6.122 -1.430 -8.843 1.00 0.00 H new ATOM 0 HA LYS A 122 3.736 0.226 -8.995 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.151 -2.201 -10.694 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.522 -0.626 -11.133 1.00 0.00 H new ATOM 0 HG2 LYS A 122 6.034 0.135 -10.621 1.00 0.00 H new ATOM 0 HG3 LYS A 122 6.370 -1.553 -10.951 1.00 0.00 H new ATOM 0 HD2 LYS A 122 4.816 -1.115 -13.075 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.260 0.556 -12.791 1.00 0.00 H new ATOM 0 HE2 LYS A 122 7.716 -0.619 -12.583 1.00 0.00 H new ATOM 0 HE3 LYS A 122 6.946 -1.733 -13.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 8.063 0.048 -14.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 6.389 0.137 -15.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 7.135 1.216 -14.061 1.00 0.00 H new ATOM 365 N PRO A 123 1.873 -1.584 -8.712 1.00 0.00 N ATOM 366 CA PRO A 123 0.820 -2.439 -8.158 1.00 0.00 C ATOM 367 C PRO A 123 0.863 -3.854 -8.725 1.00 0.00 C ATOM 368 O PRO A 123 0.460 -4.810 -8.063 1.00 0.00 O ATOM 369 CB PRO A 123 -0.470 -1.732 -8.581 1.00 0.00 C ATOM 370 CG PRO A 123 -0.097 -0.961 -9.800 1.00 0.00 C ATOM 371 CD PRO A 123 1.334 -0.544 -9.605 1.00 0.00 C ATOM 0 HA PRO A 123 0.921 -2.563 -7.080 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -1.263 -2.449 -8.793 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -0.837 -1.074 -7.793 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -0.207 -1.571 -10.696 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -0.743 -0.092 -9.925 1.00 0.00 H new ATOM 0 HD2 PRO A 123 1.874 -0.507 -10.551 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.406 0.447 -9.157 1.00 0.00 H new ATOM 379 N GLU A 124 1.353 -3.979 -9.954 1.00 0.00 N ATOM 380 CA GLU A 124 1.448 -5.278 -10.610 1.00 0.00 C ATOM 381 C GLU A 124 2.558 -6.121 -9.989 1.00 0.00 C ATOM 382 O GLU A 124 2.502 -7.351 -10.006 1.00 0.00 O ATOM 383 CB GLU A 124 1.705 -5.100 -12.108 1.00 0.00 C ATOM 384 CG GLU A 124 2.869 -4.175 -12.421 1.00 0.00 C ATOM 385 CD GLU A 124 2.426 -2.882 -13.078 1.00 0.00 C ATOM 386 OE1 GLU A 124 1.467 -2.260 -12.575 1.00 0.00 O ATOM 387 OE2 GLU A 124 3.038 -2.493 -14.094 1.00 0.00 O ATOM 0 H GLU A 124 1.690 -3.197 -10.515 1.00 0.00 H new ATOM 0 HA GLU A 124 0.500 -5.797 -10.471 1.00 0.00 H new ATOM 0 HB2 GLU A 124 1.898 -6.076 -12.553 1.00 0.00 H new ATOM 0 HB3 GLU A 124 0.803 -4.707 -12.578 1.00 0.00 H new ATOM 0 HG2 GLU A 124 3.404 -3.945 -11.499 1.00 0.00 H new ATOM 0 HG3 GLU A 124 3.571 -4.690 -13.077 1.00 0.00 H new ATOM 394 N ASP A 125 3.566 -5.451 -9.442 1.00 0.00 N ATOM 395 CA ASP A 125 4.690 -6.137 -8.815 1.00 0.00 C ATOM 396 C ASP A 125 4.346 -6.550 -7.388 1.00 0.00 C ATOM 397 O ASP A 125 3.626 -5.844 -6.681 1.00 0.00 O ATOM 398 CB ASP A 125 5.928 -5.239 -8.815 1.00 0.00 C ATOM 399 CG ASP A 125 6.781 -5.428 -10.054 1.00 0.00 C ATOM 400 OD1 ASP A 125 6.365 -6.194 -10.948 1.00 0.00 O ATOM 401 OD2 ASP A 125 7.864 -4.811 -10.129 1.00 0.00 O ATOM 0 H ASP A 125 3.628 -4.433 -9.420 1.00 0.00 H new ATOM 0 HA ASP A 125 4.903 -7.036 -9.393 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.617 -4.197 -8.747 1.00 0.00 H new ATOM 0 HB3 ASP A 125 6.527 -5.451 -7.929 1.00 0.00 H new ATOM 406 N THR A 126 4.865 -7.700 -6.969 1.00 0.00 N ATOM 407 CA THR A 126 4.612 -8.210 -5.627 1.00 0.00 C ATOM 408 C THR A 126 5.913 -8.578 -4.924 1.00 0.00 C ATOM 409 O THR A 126 5.929 -8.827 -3.719 1.00 0.00 O ATOM 410 CB THR A 126 3.691 -9.444 -5.659 1.00 0.00 C ATOM 411 OG1 THR A 126 4.081 -10.318 -6.725 1.00 0.00 O ATOM 412 CG2 THR A 126 2.238 -9.032 -5.840 1.00 0.00 C ATOM 0 H THR A 126 5.464 -8.296 -7.540 1.00 0.00 H new ATOM 0 HA THR A 126 4.117 -7.412 -5.074 1.00 0.00 H new ATOM 0 HB THR A 126 3.787 -9.966 -4.707 1.00 0.00 H new ATOM 0 HG1 THR A 126 3.492 -11.101 -6.738 1.00 0.00 H new ATOM 0 HG21 THR A 126 1.607 -9.921 -5.859 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.936 -8.391 -5.012 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.128 -8.489 -6.778 1.00 0.00 H new ATOM 420 N ALA A 127 7.003 -8.610 -5.684 1.00 0.00 N ATOM 421 CA ALA A 127 8.309 -8.945 -5.132 1.00 0.00 C ATOM 422 C ALA A 127 9.375 -7.966 -5.612 1.00 0.00 C ATOM 423 O ALA A 127 9.163 -7.220 -6.568 1.00 0.00 O ATOM 424 CB ALA A 127 8.691 -10.370 -5.508 1.00 0.00 C ATOM 0 H ALA A 127 7.007 -8.408 -6.684 1.00 0.00 H new ATOM 0 HA ALA A 127 8.247 -8.871 -4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 127 9.669 -10.607 -5.089 1.00 0.00 H new ATOM 0 HB2 ALA A 127 7.949 -11.062 -5.111 1.00 0.00 H new ATOM 0 HB3 ALA A 127 8.729 -10.462 -6.593 1.00 0.00 H new ATOM 430 N CYS A 128 10.523 -7.973 -4.941 1.00 0.00 N ATOM 431 CA CYS A 128 11.622 -7.084 -5.298 1.00 0.00 C ATOM 432 C CYS A 128 12.773 -7.867 -5.923 1.00 0.00 C ATOM 433 O CYS A 128 12.815 -9.095 -5.848 1.00 0.00 O ATOM 434 CB CYS A 128 12.117 -6.329 -4.062 1.00 0.00 C ATOM 435 SG CYS A 128 10.882 -5.204 -3.336 1.00 0.00 S ATOM 0 H CYS A 128 10.716 -8.584 -4.148 1.00 0.00 H new ATOM 0 HA CYS A 128 11.253 -6.366 -6.031 1.00 0.00 H new ATOM 0 HB2 CYS A 128 12.423 -7.052 -3.306 1.00 0.00 H new ATOM 0 HB3 CYS A 128 13.003 -5.754 -4.331 1.00 0.00 H new ATOM 440 N MET A 129 13.705 -7.148 -6.539 1.00 0.00 N ATOM 441 CA MET A 129 14.857 -7.775 -7.176 1.00 0.00 C ATOM 442 C MET A 129 16.141 -7.024 -6.838 1.00 0.00 C ATOM 443 O MET A 129 16.120 -5.819 -6.585 1.00 0.00 O ATOM 444 CB MET A 129 14.665 -7.822 -8.693 1.00 0.00 C ATOM 445 CG MET A 129 15.133 -9.124 -9.324 1.00 0.00 C ATOM 446 SD MET A 129 15.193 -9.040 -11.125 1.00 0.00 S ATOM 447 CE MET A 129 16.806 -8.301 -11.375 1.00 0.00 C ATOM 0 H MET A 129 13.685 -6.131 -6.611 1.00 0.00 H new ATOM 0 HA MET A 129 14.941 -8.793 -6.796 1.00 0.00 H new ATOM 0 HB2 MET A 129 13.610 -7.675 -8.922 1.00 0.00 H new ATOM 0 HB3 MET A 129 15.208 -6.992 -9.146 1.00 0.00 H new ATOM 0 HG2 MET A 129 16.123 -9.373 -8.942 1.00 0.00 H new ATOM 0 HG3 MET A 129 14.464 -9.930 -9.024 1.00 0.00 H new ATOM 0 HE1 MET A 129 16.712 -7.434 -12.029 1.00 0.00 H new ATOM 0 HE2 MET A 129 17.216 -7.989 -10.415 1.00 0.00 H new ATOM 0 HE3 MET A 129 17.473 -9.030 -11.834 1.00 0.00 H new ATOM 457 N THR A 130 17.259 -7.743 -6.834 1.00 0.00 N ATOM 458 CA THR A 130 18.552 -7.145 -6.526 1.00 0.00 C ATOM 459 C THR A 130 19.643 -7.692 -7.440 1.00 0.00 C ATOM 460 O THR A 130 20.021 -8.860 -7.343 1.00 0.00 O ATOM 461 CB THR A 130 18.952 -7.397 -5.060 1.00 0.00 C ATOM 462 OG1 THR A 130 17.941 -6.889 -4.182 1.00 0.00 O ATOM 463 CG2 THR A 130 20.285 -6.737 -4.742 1.00 0.00 C ATOM 0 H THR A 130 17.295 -8.741 -7.041 1.00 0.00 H new ATOM 0 HA THR A 130 18.451 -6.072 -6.688 1.00 0.00 H new ATOM 0 HB THR A 130 19.053 -8.472 -4.914 1.00 0.00 H new ATOM 0 HG1 THR A 130 18.202 -7.054 -3.252 1.00 0.00 H new ATOM 0 HG21 THR A 130 20.547 -6.929 -3.701 1.00 0.00 H new ATOM 0 HG22 THR A 130 21.058 -7.147 -5.392 1.00 0.00 H new ATOM 0 HG23 THR A 130 20.207 -5.662 -4.904 1.00 0.00 H new ATOM 471 N THR A 131 20.147 -6.840 -8.327 1.00 0.00 N ATOM 472 CA THR A 131 21.195 -7.238 -9.258 1.00 0.00 C ATOM 473 C THR A 131 22.578 -7.015 -8.658 1.00 0.00 C ATOM 474 O THR A 131 22.974 -5.880 -8.388 1.00 0.00 O ATOM 475 CB THR A 131 21.092 -6.461 -10.585 1.00 0.00 C ATOM 476 OG1 THR A 131 19.848 -6.756 -11.230 1.00 0.00 O ATOM 477 CG2 THR A 131 22.246 -6.816 -11.510 1.00 0.00 C ATOM 0 H THR A 131 19.846 -5.870 -8.420 1.00 0.00 H new ATOM 0 HA THR A 131 21.055 -8.301 -9.455 1.00 0.00 H new ATOM 0 HB THR A 131 21.141 -5.395 -10.362 1.00 0.00 H new ATOM 0 HG1 THR A 131 19.789 -6.257 -12.072 1.00 0.00 H new ATOM 0 HG21 THR A 131 22.152 -6.256 -12.440 1.00 0.00 H new ATOM 0 HG22 THR A 131 23.190 -6.563 -11.028 1.00 0.00 H new ATOM 0 HG23 THR A 131 22.224 -7.884 -11.726 1.00 0.00 H new ATOM 733 N THR A 148 22.183 -2.834 -8.805 1.00 0.00 N ATOM 734 CA THR A 148 20.969 -2.191 -9.292 1.00 0.00 C ATOM 735 C THR A 148 19.724 -2.909 -8.784 1.00 0.00 C ATOM 736 O THR A 148 19.349 -3.962 -9.301 1.00 0.00 O ATOM 737 CB THR A 148 20.933 -2.151 -10.832 1.00 0.00 C ATOM 738 OG1 THR A 148 21.470 -3.367 -11.366 1.00 0.00 O ATOM 739 CG2 THR A 148 21.724 -0.965 -11.361 1.00 0.00 C ATOM 0 HA THR A 148 20.977 -1.170 -8.910 1.00 0.00 H new ATOM 0 HB THR A 148 19.895 -2.044 -11.147 1.00 0.00 H new ATOM 0 HG1 THR A 148 22.188 -3.691 -10.783 1.00 0.00 H new ATOM 0 HG21 THR A 148 21.684 -0.958 -12.450 1.00 0.00 H new ATOM 0 HG22 THR A 148 21.294 -0.040 -10.976 1.00 0.00 H new ATOM 0 HG23 THR A 148 22.761 -1.046 -11.036 1.00 0.00 H new ATOM 747 N ARG A 149 19.087 -2.334 -7.770 1.00 0.00 N ATOM 748 CA ARG A 149 17.884 -2.920 -7.192 1.00 0.00 C ATOM 749 C ARG A 149 16.632 -2.370 -7.868 1.00 0.00 C ATOM 750 O ARG A 149 16.504 -1.163 -8.073 1.00 0.00 O ATOM 751 CB ARG A 149 17.828 -2.644 -5.688 1.00 0.00 C ATOM 752 CG ARG A 149 17.134 -3.738 -4.894 1.00 0.00 C ATOM 753 CD ARG A 149 17.086 -3.405 -3.411 1.00 0.00 C ATOM 754 NE ARG A 149 17.767 -4.412 -2.601 1.00 0.00 N ATOM 755 CZ ARG A 149 19.079 -4.420 -2.389 1.00 0.00 C ATOM 756 NH1 ARG A 149 19.846 -3.480 -2.924 1.00 0.00 N ATOM 757 NH2 ARG A 149 19.625 -5.370 -1.641 1.00 0.00 N ATOM 0 H ARG A 149 19.384 -1.462 -7.331 1.00 0.00 H new ATOM 0 HA ARG A 149 17.921 -3.997 -7.356 1.00 0.00 H new ATOM 0 HB2 ARG A 149 18.844 -2.522 -5.311 1.00 0.00 H new ATOM 0 HB3 ARG A 149 17.310 -1.700 -5.519 1.00 0.00 H new ATOM 0 HG2 ARG A 149 16.120 -3.875 -5.270 1.00 0.00 H new ATOM 0 HG3 ARG A 149 17.658 -4.683 -5.039 1.00 0.00 H new ATOM 0 HD2 ARG A 149 17.548 -2.432 -3.243 1.00 0.00 H new ATOM 0 HD3 ARG A 149 16.047 -3.324 -3.091 1.00 0.00 H new ATOM 0 HE ARG A 149 17.205 -5.149 -2.175 1.00 0.00 H new ATOM 0 HH11 ARG A 149 19.429 -2.748 -3.500 1.00 0.00 H new ATOM 0 HH12 ARG A 149 20.853 -3.488 -2.760 1.00 0.00 H new ATOM 0 HH21 ARG A 149 19.038 -6.095 -1.228 1.00 0.00 H new ATOM 0 HH22 ARG A 149 20.632 -5.376 -1.479 1.00 0.00 H new ATOM 771 N SER A 150 15.710 -3.263 -8.213 1.00 0.00 N ATOM 772 CA SER A 150 14.470 -2.868 -8.870 1.00 0.00 C ATOM 773 C SER A 150 13.318 -3.775 -8.449 1.00 0.00 C ATOM 774 O SER A 150 13.524 -4.792 -7.785 1.00 0.00 O ATOM 775 CB SER A 150 14.637 -2.910 -10.390 1.00 0.00 C ATOM 776 OG SER A 150 13.812 -1.946 -11.021 1.00 0.00 O ATOM 0 H SER A 150 15.799 -4.266 -8.048 1.00 0.00 H new ATOM 0 HA SER A 150 14.236 -1.848 -8.565 1.00 0.00 H new ATOM 0 HB2 SER A 150 15.680 -2.727 -10.650 1.00 0.00 H new ATOM 0 HB3 SER A 150 14.387 -3.905 -10.759 1.00 0.00 H new ATOM 0 HG SER A 150 13.939 -1.992 -11.992 1.00 0.00 H new ATOM 782 N CYS A 151 12.105 -3.401 -8.839 1.00 0.00 N ATOM 783 CA CYS A 151 10.918 -4.179 -8.503 1.00 0.00 C ATOM 784 C CYS A 151 10.717 -5.320 -9.496 1.00 0.00 C ATOM 785 O CYS A 151 11.276 -5.309 -10.592 1.00 0.00 O ATOM 786 CB CYS A 151 9.681 -3.279 -8.486 1.00 0.00 C ATOM 787 SG CYS A 151 9.953 -1.655 -7.708 1.00 0.00 S ATOM 0 H CYS A 151 11.917 -2.563 -9.389 1.00 0.00 H new ATOM 0 HA CYS A 151 11.062 -4.606 -7.510 1.00 0.00 H new ATOM 0 HB2 CYS A 151 9.342 -3.127 -9.511 1.00 0.00 H new ATOM 0 HB3 CYS A 151 8.878 -3.793 -7.958 1.00 0.00 H new ATOM 792 N SER A 152 9.916 -6.305 -9.102 1.00 0.00 N ATOM 793 CA SER A 152 9.643 -7.456 -9.955 1.00 0.00 C ATOM 794 C SER A 152 8.255 -8.024 -9.674 1.00 0.00 C ATOM 795 O SER A 152 7.698 -7.824 -8.595 1.00 0.00 O ATOM 796 CB SER A 152 10.703 -8.538 -9.741 1.00 0.00 C ATOM 797 OG SER A 152 10.426 -9.686 -10.525 1.00 0.00 O ATOM 0 H SER A 152 9.445 -6.329 -8.198 1.00 0.00 H new ATOM 0 HA SER A 152 9.677 -7.124 -10.993 1.00 0.00 H new ATOM 0 HB2 SER A 152 11.686 -8.145 -10.001 1.00 0.00 H new ATOM 0 HB3 SER A 152 10.738 -8.813 -8.687 1.00 0.00 H new ATOM 0 HG SER A 152 11.119 -10.362 -10.372 1.00 0.00 H new ATOM 803 N SER A 153 7.703 -8.733 -10.653 1.00 0.00 N ATOM 804 CA SER A 153 6.379 -9.327 -10.514 1.00 0.00 C ATOM 805 C SER A 153 6.473 -10.847 -10.425 1.00 0.00 C ATOM 806 O SER A 153 5.483 -11.553 -10.618 1.00 0.00 O ATOM 807 CB SER A 153 5.491 -8.928 -11.695 1.00 0.00 C ATOM 808 OG SER A 153 6.244 -8.841 -12.892 1.00 0.00 O ATOM 0 H SER A 153 8.152 -8.910 -11.551 1.00 0.00 H new ATOM 0 HA SER A 153 5.935 -8.953 -9.592 1.00 0.00 H new ATOM 0 HB2 SER A 153 4.692 -9.659 -11.817 1.00 0.00 H new ATOM 0 HB3 SER A 153 5.016 -7.968 -11.490 1.00 0.00 H new ATOM 0 HG SER A 153 5.654 -8.586 -13.632 1.00 0.00 H new ATOM 814 N SER A 154 7.670 -11.344 -10.131 1.00 0.00 N ATOM 815 CA SER A 154 7.895 -12.780 -10.019 1.00 0.00 C ATOM 816 C SER A 154 9.313 -13.072 -9.536 1.00 0.00 C ATOM 817 O SER A 154 10.255 -13.112 -10.327 1.00 0.00 O ATOM 818 CB SER A 154 7.654 -13.462 -11.367 1.00 0.00 C ATOM 819 OG SER A 154 8.164 -12.680 -12.433 1.00 0.00 O ATOM 0 H SER A 154 8.499 -10.773 -9.966 1.00 0.00 H new ATOM 0 HA SER A 154 7.191 -13.177 -9.287 1.00 0.00 H new ATOM 0 HB2 SER A 154 8.129 -14.443 -11.372 1.00 0.00 H new ATOM 0 HB3 SER A 154 6.586 -13.625 -11.510 1.00 0.00 H new ATOM 0 HG SER A 154 9.082 -12.406 -12.227 1.00 0.00 H new ATOM 825 N CYS A 155 9.456 -13.274 -8.231 1.00 0.00 N ATOM 826 CA CYS A 155 10.757 -13.562 -7.639 1.00 0.00 C ATOM 827 C CYS A 155 11.267 -14.930 -8.084 1.00 0.00 C ATOM 828 O CYS A 155 10.845 -15.961 -7.560 1.00 0.00 O ATOM 829 CB CYS A 155 10.669 -13.509 -6.112 1.00 0.00 C ATOM 830 SG CYS A 155 12.055 -14.328 -5.260 1.00 0.00 S ATOM 0 H CYS A 155 8.686 -13.244 -7.562 1.00 0.00 H new ATOM 0 HA CYS A 155 11.460 -12.803 -7.982 1.00 0.00 H new ATOM 0 HB2 CYS A 155 10.628 -12.466 -5.797 1.00 0.00 H new ATOM 0 HB3 CYS A 155 9.736 -13.975 -5.796 1.00 0.00 H new ATOM 835 N VAL A 156 12.176 -14.930 -9.053 1.00 0.00 N ATOM 836 CA VAL A 156 12.745 -16.170 -9.568 1.00 0.00 C ATOM 837 C VAL A 156 14.164 -15.952 -10.080 1.00 0.00 C ATOM 838 O VAL A 156 14.463 -14.929 -10.694 1.00 0.00 O ATOM 839 CB VAL A 156 11.884 -16.752 -10.704 1.00 0.00 C ATOM 840 CG1 VAL A 156 11.864 -15.808 -11.897 1.00 0.00 C ATOM 841 CG2 VAL A 156 12.397 -18.126 -11.110 1.00 0.00 C ATOM 0 H VAL A 156 12.535 -14.085 -9.498 1.00 0.00 H new ATOM 0 HA VAL A 156 12.766 -16.878 -8.739 1.00 0.00 H new ATOM 0 HB VAL A 156 10.862 -16.863 -10.342 1.00 0.00 H new ATOM 0 HG11 VAL A 156 11.251 -16.236 -12.690 1.00 0.00 H new ATOM 0 HG12 VAL A 156 11.447 -14.848 -11.594 1.00 0.00 H new ATOM 0 HG13 VAL A 156 12.880 -15.663 -12.263 1.00 0.00 H new ATOM 0 HG21 VAL A 156 11.777 -18.523 -11.914 1.00 0.00 H new ATOM 0 HG22 VAL A 156 13.428 -18.042 -11.454 1.00 0.00 H new ATOM 0 HG23 VAL A 156 12.354 -18.798 -10.253 1.00 0.00 H new ATOM 987 N LEU A 168 24.201 -12.824 -9.437 1.00 0.00 N ATOM 988 CA LEU A 168 23.571 -12.696 -8.128 1.00 0.00 C ATOM 989 C LEU A 168 22.266 -11.914 -8.225 1.00 0.00 C ATOM 990 O LEU A 168 22.259 -10.686 -8.133 1.00 0.00 O ATOM 991 CB LEU A 168 24.521 -12.006 -7.148 1.00 0.00 C ATOM 992 CG LEU A 168 25.872 -12.688 -6.929 1.00 0.00 C ATOM 993 CD1 LEU A 168 25.692 -14.190 -6.774 1.00 0.00 C ATOM 994 CD2 LEU A 168 26.819 -12.378 -8.079 1.00 0.00 C ATOM 0 HA LEU A 168 23.346 -13.698 -7.762 1.00 0.00 H new ATOM 0 HB2 LEU A 168 24.702 -10.991 -7.502 1.00 0.00 H new ATOM 0 HB3 LEU A 168 24.019 -11.922 -6.184 1.00 0.00 H new ATOM 0 HG LEU A 168 26.310 -12.298 -6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 168 26.664 -14.659 -6.619 1.00 0.00 H new ATOM 0 HD12 LEU A 168 25.050 -14.393 -5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 168 25.233 -14.596 -7.675 1.00 0.00 H new ATOM 0 HD21 LEU A 168 27.775 -12.872 -7.906 1.00 0.00 H new ATOM 0 HD22 LEU A 168 26.388 -12.739 -9.013 1.00 0.00 H new ATOM 0 HD23 LEU A 168 26.973 -11.301 -8.143 1.00 0.00 H new ATOM 1006 N ILE A 169 21.163 -12.632 -8.411 1.00 0.00 N ATOM 1007 CA ILE A 169 19.852 -12.005 -8.517 1.00 0.00 C ATOM 1008 C ILE A 169 18.956 -12.402 -7.349 1.00 0.00 C ATOM 1009 O ILE A 169 18.283 -13.432 -7.392 1.00 0.00 O ATOM 1010 CB ILE A 169 19.153 -12.381 -9.837 1.00 0.00 C ATOM 1011 CG1 ILE A 169 20.145 -12.317 -11.000 1.00 0.00 C ATOM 1012 CG2 ILE A 169 17.970 -11.459 -10.092 1.00 0.00 C ATOM 1013 CD1 ILE A 169 20.687 -13.670 -11.407 1.00 0.00 C ATOM 0 H ILE A 169 21.152 -13.649 -8.491 1.00 0.00 H new ATOM 0 HA ILE A 169 20.015 -10.928 -8.496 1.00 0.00 H new ATOM 0 HB ILE A 169 18.781 -13.402 -9.756 1.00 0.00 H new ATOM 0 HG12 ILE A 169 19.656 -11.857 -11.859 1.00 0.00 H new ATOM 0 HG13 ILE A 169 20.977 -11.670 -10.722 1.00 0.00 H new ATOM 0 HG21 ILE A 169 17.487 -11.738 -11.028 1.00 0.00 H new ATOM 0 HG22 ILE A 169 17.255 -11.549 -9.274 1.00 0.00 H new ATOM 0 HG23 ILE A 169 18.319 -10.428 -10.157 1.00 0.00 H new ATOM 0 HD11 ILE A 169 21.384 -13.548 -12.236 1.00 0.00 H new ATOM 0 HD12 ILE A 169 21.205 -14.124 -10.562 1.00 0.00 H new ATOM 0 HD13 ILE A 169 19.864 -14.314 -11.716 1.00 0.00 H new ATOM 1025 N PHE A 170 18.950 -11.578 -6.307 1.00 0.00 N ATOM 1026 CA PHE A 170 18.136 -11.843 -5.127 1.00 0.00 C ATOM 1027 C PHE A 170 16.759 -11.199 -5.261 1.00 0.00 C ATOM 1028 O PHE A 170 16.590 -10.211 -5.977 1.00 0.00 O ATOM 1029 CB PHE A 170 18.835 -11.321 -3.870 1.00 0.00 C ATOM 1030 CG PHE A 170 19.734 -12.333 -3.220 1.00 0.00 C ATOM 1031 CD1 PHE A 170 19.227 -13.243 -2.306 1.00 0.00 C ATOM 1032 CD2 PHE A 170 21.085 -12.376 -3.523 1.00 0.00 C ATOM 1033 CE1 PHE A 170 20.052 -14.175 -1.705 1.00 0.00 C ATOM 1034 CE2 PHE A 170 21.915 -13.306 -2.926 1.00 0.00 C ATOM 1035 CZ PHE A 170 21.398 -14.207 -2.017 1.00 0.00 C ATOM 0 H PHE A 170 19.500 -10.721 -6.256 1.00 0.00 H new ATOM 0 HA PHE A 170 18.007 -12.922 -5.041 1.00 0.00 H new ATOM 0 HB2 PHE A 170 19.421 -10.440 -4.130 1.00 0.00 H new ATOM 0 HB3 PHE A 170 18.081 -11.002 -3.151 1.00 0.00 H new ATOM 0 HD1 PHE A 170 18.175 -13.224 -2.061 1.00 0.00 H new ATOM 0 HD2 PHE A 170 21.495 -11.674 -4.234 1.00 0.00 H new ATOM 0 HE1 PHE A 170 19.645 -14.877 -0.992 1.00 0.00 H new ATOM 0 HE2 PHE A 170 22.967 -13.328 -3.170 1.00 0.00 H new ATOM 0 HZ PHE A 170 22.044 -14.936 -1.550 1.00 0.00 H new ATOM 1045 N CYS A 171 15.777 -11.766 -4.568 1.00 0.00 N ATOM 1046 CA CYS A 171 14.414 -11.250 -4.608 1.00 0.00 C ATOM 1047 C CYS A 171 13.683 -11.542 -3.301 1.00 0.00 C ATOM 1048 O CYS A 171 14.072 -12.432 -2.544 1.00 0.00 O ATOM 1049 CB CYS A 171 13.649 -11.865 -5.782 1.00 0.00 C ATOM 1050 SG CYS A 171 13.790 -13.677 -5.894 1.00 0.00 S ATOM 0 H CYS A 171 15.900 -12.584 -3.971 1.00 0.00 H new ATOM 0 HA CYS A 171 14.464 -10.169 -4.741 1.00 0.00 H new ATOM 0 HB2 CYS A 171 12.596 -11.598 -5.695 1.00 0.00 H new ATOM 0 HB3 CYS A 171 14.014 -11.425 -6.710 1.00 0.00 H new ATOM 1055 N CYS A 172 12.621 -10.785 -3.043 1.00 0.00 N ATOM 1056 CA CYS A 172 11.835 -10.961 -1.828 1.00 0.00 C ATOM 1057 C CYS A 172 10.410 -10.451 -2.024 1.00 0.00 C ATOM 1058 O CYS A 172 10.084 -9.870 -3.060 1.00 0.00 O ATOM 1059 CB CYS A 172 12.494 -10.228 -0.658 1.00 0.00 C ATOM 1060 SG CYS A 172 13.095 -8.558 -1.071 1.00 0.00 S ATOM 0 H CYS A 172 12.286 -10.044 -3.659 1.00 0.00 H new ATOM 0 HA CYS A 172 11.794 -12.027 -1.603 1.00 0.00 H new ATOM 0 HB2 CYS A 172 11.777 -10.153 0.160 1.00 0.00 H new ATOM 0 HB3 CYS A 172 13.331 -10.824 -0.295 1.00 0.00 H new ATOM 1065 N PHE A 173 9.565 -10.673 -1.023 1.00 0.00 N ATOM 1066 CA PHE A 173 8.175 -10.237 -1.085 1.00 0.00 C ATOM 1067 C PHE A 173 7.831 -9.345 0.105 1.00 0.00 C ATOM 1068 O PHE A 173 6.703 -9.360 0.599 1.00 0.00 O ATOM 1069 CB PHE A 173 7.239 -11.447 -1.117 1.00 0.00 C ATOM 1070 CG PHE A 173 7.746 -12.574 -1.970 1.00 0.00 C ATOM 1071 CD1 PHE A 173 8.606 -13.526 -1.446 1.00 0.00 C ATOM 1072 CD2 PHE A 173 7.363 -12.682 -3.297 1.00 0.00 C ATOM 1073 CE1 PHE A 173 9.074 -14.563 -2.229 1.00 0.00 C ATOM 1074 CE2 PHE A 173 7.827 -13.718 -4.086 1.00 0.00 C ATOM 1075 CZ PHE A 173 8.684 -14.660 -3.551 1.00 0.00 C ATOM 0 H PHE A 173 9.818 -11.152 -0.159 1.00 0.00 H new ATOM 0 HA PHE A 173 8.042 -9.660 -2.000 1.00 0.00 H new ATOM 0 HB2 PHE A 173 7.092 -11.810 -0.100 1.00 0.00 H new ATOM 0 HB3 PHE A 173 6.263 -11.132 -1.487 1.00 0.00 H new ATOM 0 HD1 PHE A 173 8.914 -13.456 -0.413 1.00 0.00 H new ATOM 0 HD2 PHE A 173 6.694 -11.948 -3.720 1.00 0.00 H new ATOM 0 HE1 PHE A 173 9.744 -15.298 -1.808 1.00 0.00 H new ATOM 0 HE2 PHE A 173 7.520 -13.791 -5.119 1.00 0.00 H new ATOM 0 HZ PHE A 173 9.048 -15.471 -4.165 1.00 0.00 H new ATOM 1085 N ARG A 174 8.810 -8.571 0.559 1.00 0.00 N ATOM 1086 CA ARG A 174 8.613 -7.674 1.691 1.00 0.00 C ATOM 1087 C ARG A 174 9.277 -6.324 1.438 1.00 0.00 C ATOM 1088 O ARG A 174 10.387 -6.256 0.907 1.00 0.00 O ATOM 1089 CB ARG A 174 9.175 -8.299 2.969 1.00 0.00 C ATOM 1090 CG ARG A 174 8.350 -9.463 3.492 1.00 0.00 C ATOM 1091 CD ARG A 174 7.571 -9.077 4.740 1.00 0.00 C ATOM 1092 NE ARG A 174 7.084 -10.247 5.465 1.00 0.00 N ATOM 1093 CZ ARG A 174 6.488 -10.182 6.650 1.00 0.00 C ATOM 1094 NH1 ARG A 174 6.306 -9.009 7.241 1.00 0.00 N ATOM 1095 NH2 ARG A 174 6.072 -11.292 7.247 1.00 0.00 N ATOM 0 H ARG A 174 9.748 -8.547 0.160 1.00 0.00 H new ATOM 0 HA ARG A 174 7.542 -7.515 1.813 1.00 0.00 H new ATOM 0 HB2 ARG A 174 10.192 -8.642 2.779 1.00 0.00 H new ATOM 0 HB3 ARG A 174 9.237 -7.532 3.741 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.658 -9.797 2.719 1.00 0.00 H new ATOM 0 HG3 ARG A 174 9.006 -10.304 3.717 1.00 0.00 H new ATOM 0 HD2 ARG A 174 8.208 -8.484 5.396 1.00 0.00 H new ATOM 0 HD3 ARG A 174 6.727 -8.447 4.460 1.00 0.00 H new ATOM 0 HE ARG A 174 7.208 -11.165 5.038 1.00 0.00 H new ATOM 0 HH11 ARG A 174 6.624 -8.154 6.785 1.00 0.00 H new ATOM 0 HH12 ARG A 174 5.848 -8.962 8.151 1.00 0.00 H new ATOM 0 HH21 ARG A 174 6.210 -12.196 6.796 1.00 0.00 H new ATOM 0 HH22 ARG A 174 5.614 -11.241 8.157 1.00 0.00 H new ATOM 1109 N ASP A 175 8.592 -5.252 1.819 1.00 0.00 N ATOM 1110 CA ASP A 175 9.115 -3.903 1.634 1.00 0.00 C ATOM 1111 C ASP A 175 10.447 -3.733 2.359 1.00 0.00 C ATOM 1112 O ASP A 175 10.541 -3.955 3.567 1.00 0.00 O ATOM 1113 CB ASP A 175 8.109 -2.869 2.140 1.00 0.00 C ATOM 1114 CG ASP A 175 6.683 -3.215 1.760 1.00 0.00 C ATOM 1115 OD1 ASP A 175 6.131 -4.174 2.338 1.00 0.00 O ATOM 1116 OD2 ASP A 175 6.118 -2.526 0.884 1.00 0.00 O ATOM 0 H ASP A 175 7.672 -5.291 2.258 1.00 0.00 H new ATOM 0 HA ASP A 175 9.279 -3.746 0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 175 8.185 -2.793 3.225 1.00 0.00 H new ATOM 0 HB3 ASP A 175 8.363 -1.890 1.734 1.00 0.00 H new ATOM 1121 N LEU A 176 11.474 -3.339 1.615 1.00 0.00 N ATOM 1122 CA LEU A 176 12.801 -3.140 2.186 1.00 0.00 C ATOM 1123 C LEU A 176 13.300 -4.413 2.861 1.00 0.00 C ATOM 1124 O LEU A 176 13.975 -4.360 3.890 1.00 0.00 O ATOM 1125 CB LEU A 176 12.776 -1.990 3.195 1.00 0.00 C ATOM 1126 CG LEU A 176 11.984 -0.750 2.780 1.00 0.00 C ATOM 1127 CD1 LEU A 176 12.197 0.378 3.778 1.00 0.00 C ATOM 1128 CD2 LEU A 176 12.382 -0.307 1.380 1.00 0.00 C ATOM 0 H LEU A 176 11.413 -3.151 0.614 1.00 0.00 H new ATOM 0 HA LEU A 176 13.485 -2.889 1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 176 12.362 -2.364 4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 176 13.804 -1.689 3.398 1.00 0.00 H new ATOM 0 HG LEU A 176 10.924 -1.005 2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 176 11.626 1.252 3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 176 11.862 0.059 4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 176 13.256 0.632 3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 176 11.808 0.577 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 176 13.446 -0.070 1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 176 12.178 -1.110 0.672 1.00 0.00 H new ATOM 1140 N CYS A 177 12.966 -5.557 2.275 1.00 0.00 N ATOM 1141 CA CYS A 177 13.381 -6.845 2.817 1.00 0.00 C ATOM 1142 C CYS A 177 14.883 -6.865 3.084 1.00 0.00 C ATOM 1143 O CYS A 177 15.365 -7.619 3.928 1.00 0.00 O ATOM 1144 CB CYS A 177 13.008 -7.973 1.853 1.00 0.00 C ATOM 1145 SG CYS A 177 14.222 -8.244 0.521 1.00 0.00 S ATOM 0 H CYS A 177 12.408 -5.619 1.423 1.00 0.00 H new ATOM 0 HA CYS A 177 12.860 -6.997 3.762 1.00 0.00 H new ATOM 0 HB2 CYS A 177 12.893 -8.897 2.419 1.00 0.00 H new ATOM 0 HB3 CYS A 177 12.039 -7.750 1.407 1.00 0.00 H new ATOM 1150 N ASN A 178 15.618 -6.029 2.357 1.00 0.00 N ATOM 1151 CA ASN A 178 17.066 -5.950 2.514 1.00 0.00 C ATOM 1152 C ASN A 178 17.543 -4.502 2.442 1.00 0.00 C ATOM 1153 O ASN A 178 17.474 -3.867 1.390 1.00 0.00 O ATOM 1154 CB ASN A 178 17.763 -6.783 1.436 1.00 0.00 C ATOM 1155 CG ASN A 178 17.081 -6.668 0.087 1.00 0.00 C ATOM 1156 OD1 ASN A 178 16.464 -5.650 -0.225 1.00 0.00 O ATOM 1157 ND2 ASN A 178 17.190 -7.716 -0.722 1.00 0.00 N ATOM 0 H ASN A 178 15.235 -5.397 1.654 1.00 0.00 H new ATOM 0 HA ASN A 178 17.323 -6.350 3.495 1.00 0.00 H new ATOM 0 HB2 ASN A 178 18.800 -6.460 1.345 1.00 0.00 H new ATOM 0 HB3 ASN A 178 17.781 -7.829 1.743 1.00 0.00 H new ATOM 0 HD21 ASN A 178 16.752 -7.697 -1.643 1.00 0.00 H new ATOM 0 HD22 ASN A 178 17.711 -8.540 -0.422 1.00 0.00 H new