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 131 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 148 THR OG1 : rot 23:sc= 0.515! USER MOD Set 2.1: A 130 THR OG1 : rot 150:sc= -0.665 USER MOD Set 2.2: A 178 ASN : amide:sc= -1.32 X(o=-2,f=-2.3) USER MOD Set 3.1: A 105 THR OG1 : rot 180:sc= -0.974 USER MOD Set 3.2: A 119 THR OG1 : rot 121:sc= 0.616 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0.094 USER MOD Single : A 117 THR OG1 : rot 31:sc= 0.208 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 180:sc= 0 (180deg=0) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 152 SER OG : rot 180:sc= -0.193 USER MOD Single : A 153 SER OG : rot 180:sc= 0.00419 USER MOD Single : A 154 SER OG : rot 50:sc= 0.00914 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 1.718 -0.494 0.352 1.00 0.00 N ATOM 2 CA MET A 100 2.319 -0.554 -0.975 1.00 0.00 C ATOM 3 C MET A 100 3.713 -1.171 -0.914 1.00 0.00 C ATOM 4 O MET A 100 4.409 -1.058 0.096 1.00 0.00 O ATOM 5 CB MET A 100 2.395 0.846 -1.588 1.00 0.00 C ATOM 6 CG MET A 100 2.590 0.839 -3.096 1.00 0.00 C ATOM 7 SD MET A 100 1.126 0.273 -3.983 1.00 0.00 S ATOM 8 CE MET A 100 0.573 1.802 -4.735 1.00 0.00 C ATOM 0 HA MET A 100 1.689 -1.184 -1.603 1.00 0.00 H new ATOM 0 HB2 MET A 100 1.480 1.388 -1.351 1.00 0.00 H new ATOM 0 HB3 MET A 100 3.217 1.392 -1.126 1.00 0.00 H new ATOM 0 HG2 MET A 100 2.846 1.844 -3.430 1.00 0.00 H new ATOM 0 HG3 MET A 100 3.433 0.195 -3.346 1.00 0.00 H new ATOM 0 HE1 MET A 100 -0.328 1.615 -5.319 1.00 0.00 H new ATOM 0 HE2 MET A 100 0.355 2.533 -3.956 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.355 2.190 -5.388 1.00 0.00 H new ATOM 18 N LEU A 101 4.114 -1.824 -1.999 1.00 0.00 N ATOM 19 CA LEU A 101 5.425 -2.460 -2.068 1.00 0.00 C ATOM 20 C LEU A 101 6.535 -1.415 -2.126 1.00 0.00 C ATOM 21 O LEU A 101 6.521 -0.525 -2.976 1.00 0.00 O ATOM 22 CB LEU A 101 5.506 -3.374 -3.292 1.00 0.00 C ATOM 23 CG LEU A 101 6.323 -4.655 -3.119 1.00 0.00 C ATOM 24 CD1 LEU A 101 6.705 -5.232 -4.474 1.00 0.00 C ATOM 25 CD2 LEU A 101 7.565 -4.387 -2.282 1.00 0.00 C ATOM 0 H LEU A 101 3.550 -1.927 -2.843 1.00 0.00 H new ATOM 0 HA LEU A 101 5.560 -3.057 -1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.492 -3.650 -3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.931 -2.804 -4.119 1.00 0.00 H new ATOM 0 HG LEU A 101 5.708 -5.387 -2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.286 -6.143 -4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.802 -5.463 -5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.301 -4.504 -5.024 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.134 -5.310 -2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.183 -3.638 -2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.269 -4.021 -1.299 1.00 0.00 H new ATOM 37 N LYS A 102 7.496 -1.530 -1.216 1.00 0.00 N ATOM 38 CA LYS A 102 8.616 -0.598 -1.164 1.00 0.00 C ATOM 39 C LYS A 102 9.926 -1.335 -0.904 1.00 0.00 C ATOM 40 O LYS A 102 9.989 -2.232 -0.062 1.00 0.00 O ATOM 41 CB LYS A 102 8.384 0.450 -0.073 1.00 0.00 C ATOM 42 CG LYS A 102 7.148 1.303 -0.302 1.00 0.00 C ATOM 43 CD LYS A 102 6.153 1.159 0.837 1.00 0.00 C ATOM 44 CE LYS A 102 6.484 2.097 1.988 1.00 0.00 C ATOM 45 NZ LYS A 102 5.482 2.003 3.086 1.00 0.00 N ATOM 0 H LYS A 102 7.522 -2.260 -0.504 1.00 0.00 H new ATOM 0 HA LYS A 102 8.686 -0.099 -2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.294 -0.053 0.890 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.257 1.099 -0.013 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.440 2.349 -0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.674 1.014 -1.240 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.148 1.370 0.472 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.153 0.129 1.194 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.473 1.858 2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.525 3.122 1.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.743 2.657 3.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.542 2.255 2.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.461 1.031 3.454 1.00 0.00 H new ATOM 59 N CYS A 103 10.970 -0.952 -1.631 1.00 0.00 N ATOM 60 CA CYS A 103 12.279 -1.575 -1.479 1.00 0.00 C ATOM 61 C CYS A 103 13.377 -0.520 -1.390 1.00 0.00 C ATOM 62 O CYS A 103 13.123 0.673 -1.562 1.00 0.00 O ATOM 63 CB CYS A 103 12.557 -2.518 -2.651 1.00 0.00 C ATOM 64 SG CYS A 103 11.892 -4.200 -2.427 1.00 0.00 S ATOM 0 H CYS A 103 10.935 -0.212 -2.332 1.00 0.00 H new ATOM 0 HA CYS A 103 12.275 -2.149 -0.552 1.00 0.00 H new ATOM 0 HB2 CYS A 103 12.131 -2.088 -3.558 1.00 0.00 H new ATOM 0 HB3 CYS A 103 13.634 -2.582 -2.804 1.00 0.00 H new ATOM 69 N TYR A 104 14.599 -0.967 -1.120 1.00 0.00 N ATOM 70 CA TYR A 104 15.736 -0.061 -1.005 1.00 0.00 C ATOM 71 C TYR A 104 16.331 0.242 -2.377 1.00 0.00 C ATOM 72 O TYR A 104 17.398 -0.262 -2.730 1.00 0.00 O ATOM 73 CB TYR A 104 16.806 -0.665 -0.094 1.00 0.00 C ATOM 74 CG TYR A 104 16.452 -0.610 1.375 1.00 0.00 C ATOM 75 CD1 TYR A 104 16.414 0.601 2.055 1.00 0.00 C ATOM 76 CD2 TYR A 104 16.158 -1.769 2.083 1.00 0.00 C ATOM 77 CE1 TYR A 104 16.093 0.656 3.398 1.00 0.00 C ATOM 78 CE2 TYR A 104 15.833 -1.723 3.425 1.00 0.00 C ATOM 79 CZ TYR A 104 15.802 -0.508 4.078 1.00 0.00 C ATOM 80 OH TYR A 104 15.481 -0.459 5.415 1.00 0.00 O ATOM 0 H TYR A 104 14.827 -1.951 -0.977 1.00 0.00 H new ATOM 0 HA TYR A 104 15.382 0.873 -0.568 1.00 0.00 H new ATOM 0 HB2 TYR A 104 16.971 -1.704 -0.381 1.00 0.00 H new ATOM 0 HB3 TYR A 104 17.746 -0.137 -0.253 1.00 0.00 H new ATOM 0 HD1 TYR A 104 16.639 1.515 1.525 1.00 0.00 H new ATOM 0 HD2 TYR A 104 16.184 -2.722 1.576 1.00 0.00 H new ATOM 0 HE1 TYR A 104 16.070 1.605 3.912 1.00 0.00 H new ATOM 0 HE2 TYR A 104 15.604 -2.633 3.960 1.00 0.00 H new ATOM 0 HH TYR A 104 15.303 -1.365 5.742 1.00 0.00 H new ATOM 90 N THR A 105 15.633 1.071 -3.147 1.00 0.00 N ATOM 91 CA THR A 105 16.091 1.442 -4.480 1.00 0.00 C ATOM 92 C THR A 105 16.614 2.874 -4.503 1.00 0.00 C ATOM 93 O THR A 105 15.944 3.798 -4.040 1.00 0.00 O ATOM 94 CB THR A 105 14.963 1.303 -5.520 1.00 0.00 C ATOM 95 OG1 THR A 105 14.153 2.484 -5.525 1.00 0.00 O ATOM 96 CG2 THR A 105 14.097 0.089 -5.220 1.00 0.00 C ATOM 0 H THR A 105 14.749 1.498 -2.870 1.00 0.00 H new ATOM 0 HA THR A 105 16.900 0.758 -4.738 1.00 0.00 H new ATOM 0 HB THR A 105 15.418 1.171 -6.502 1.00 0.00 H new ATOM 0 HG1 THR A 105 13.439 2.388 -6.190 1.00 0.00 H new ATOM 0 HG21 THR A 105 13.308 0.012 -5.968 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.711 -0.811 -5.246 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.651 0.196 -4.231 1.00 0.00 H new ATOM 104 N CYS A 106 17.814 3.052 -5.045 1.00 0.00 N ATOM 105 CA CYS A 106 18.428 4.372 -5.129 1.00 0.00 C ATOM 106 C CYS A 106 17.876 5.153 -6.318 1.00 0.00 C ATOM 107 O CYS A 106 16.992 4.679 -7.031 1.00 0.00 O ATOM 108 CB CYS A 106 19.948 4.244 -5.249 1.00 0.00 C ATOM 109 SG CYS A 106 20.496 3.087 -6.546 1.00 0.00 S ATOM 0 H CYS A 106 18.381 2.298 -5.433 1.00 0.00 H new ATOM 0 HA CYS A 106 18.188 4.916 -4.216 1.00 0.00 H new ATOM 0 HB2 CYS A 106 20.370 5.228 -5.453 1.00 0.00 H new ATOM 0 HB3 CYS A 106 20.351 3.917 -4.291 1.00 0.00 H new ATOM 0 HG CYS A 106 21.795 3.048 -6.572 1.00 0.00 H new ATOM 262 N THR A 117 17.823 3.114 -0.783 1.00 0.00 N ATOM 263 CA THR A 117 16.900 4.145 -0.327 1.00 0.00 C ATOM 264 C THR A 117 15.458 3.653 -0.375 1.00 0.00 C ATOM 265 O THR A 117 15.063 2.950 -1.306 1.00 0.00 O ATOM 266 CB THR A 117 17.022 5.424 -1.177 1.00 0.00 C ATOM 267 OG1 THR A 117 18.398 5.807 -1.292 1.00 0.00 O ATOM 268 CG2 THR A 117 16.224 6.562 -0.561 1.00 0.00 C ATOM 0 HA THR A 117 17.168 4.375 0.704 1.00 0.00 H new ATOM 0 HB THR A 117 16.619 5.214 -2.168 1.00 0.00 H new ATOM 0 HG1 THR A 117 18.964 5.007 -1.262 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.326 7.454 -1.179 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.173 6.279 -0.502 1.00 0.00 H new ATOM 0 HG23 THR A 117 16.600 6.770 0.441 1.00 0.00 H new ATOM 276 N ILE A 118 14.677 4.026 0.633 1.00 0.00 N ATOM 277 CA ILE A 118 13.278 3.623 0.704 1.00 0.00 C ATOM 278 C ILE A 118 12.470 4.241 -0.432 1.00 0.00 C ATOM 279 O ILE A 118 12.189 5.440 -0.429 1.00 0.00 O ATOM 280 CB ILE A 118 12.644 4.026 2.049 1.00 0.00 C ATOM 281 CG1 ILE A 118 13.435 3.424 3.212 1.00 0.00 C ATOM 282 CG2 ILE A 118 11.190 3.581 2.103 1.00 0.00 C ATOM 283 CD1 ILE A 118 12.780 3.631 4.559 1.00 0.00 C ATOM 0 H ILE A 118 14.989 4.606 1.412 1.00 0.00 H new ATOM 0 HA ILE A 118 13.257 2.537 0.613 1.00 0.00 H new ATOM 0 HB ILE A 118 12.675 5.112 2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 118 13.563 2.355 3.039 1.00 0.00 H new ATOM 0 HG13 ILE A 118 14.432 3.865 3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.755 3.873 3.059 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.635 4.053 1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.137 2.498 1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 118 13.396 3.179 5.336 1.00 0.00 H new ATOM 0 HD12 ILE A 118 12.677 4.699 4.753 1.00 0.00 H new ATOM 0 HD13 ILE A 118 11.794 3.165 4.560 1.00 0.00 H new ATOM 295 N THR A 119 12.096 3.413 -1.403 1.00 0.00 N ATOM 296 CA THR A 119 11.319 3.876 -2.546 1.00 0.00 C ATOM 297 C THR A 119 10.056 3.042 -2.727 1.00 0.00 C ATOM 298 O THR A 119 10.059 1.835 -2.484 1.00 0.00 O ATOM 299 CB THR A 119 12.145 3.825 -3.845 1.00 0.00 C ATOM 300 OG1 THR A 119 13.192 4.801 -3.798 1.00 0.00 O ATOM 301 CG2 THR A 119 11.263 4.078 -5.058 1.00 0.00 C ATOM 0 H THR A 119 12.319 2.418 -1.420 1.00 0.00 H new ATOM 0 HA THR A 119 11.042 4.910 -2.341 1.00 0.00 H new ATOM 0 HB THR A 119 12.580 2.830 -3.934 1.00 0.00 H new ATOM 0 HG1 THR A 119 14.060 4.354 -3.886 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.869 4.037 -5.963 1.00 0.00 H new ATOM 0 HG22 THR A 119 10.485 3.316 -5.107 1.00 0.00 H new ATOM 0 HG23 THR A 119 10.802 5.062 -4.974 1.00 0.00 H new ATOM 309 N ARG A 120 8.979 3.693 -3.155 1.00 0.00 N ATOM 310 CA ARG A 120 7.709 3.010 -3.368 1.00 0.00 C ATOM 311 C ARG A 120 7.610 2.479 -4.795 1.00 0.00 C ATOM 312 O ARG A 120 7.742 3.232 -5.760 1.00 0.00 O ATOM 313 CB ARG A 120 6.542 3.957 -3.083 1.00 0.00 C ATOM 314 CG ARG A 120 6.818 4.941 -1.958 1.00 0.00 C ATOM 315 CD ARG A 120 5.545 5.301 -1.207 1.00 0.00 C ATOM 316 NE ARG A 120 5.292 6.739 -1.216 1.00 0.00 N ATOM 317 CZ ARG A 120 4.416 7.336 -0.416 1.00 0.00 C ATOM 318 NH1 ARG A 120 3.714 6.622 0.454 1.00 0.00 N ATOM 319 NH2 ARG A 120 4.241 8.649 -0.484 1.00 0.00 N ATOM 0 H ARG A 120 8.961 4.692 -3.361 1.00 0.00 H new ATOM 0 HA ARG A 120 7.659 2.166 -2.680 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.306 4.513 -3.991 1.00 0.00 H new ATOM 0 HB3 ARG A 120 5.660 3.368 -2.831 1.00 0.00 H new ATOM 0 HG2 ARG A 120 7.541 4.510 -1.265 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.269 5.845 -2.367 1.00 0.00 H new ATOM 0 HD2 ARG A 120 4.699 4.781 -1.657 1.00 0.00 H new ATOM 0 HD3 ARG A 120 5.621 4.953 -0.177 1.00 0.00 H new ATOM 0 HE ARG A 120 5.817 7.317 -1.873 1.00 0.00 H new ATOM 0 HH11 ARG A 120 3.846 5.612 0.510 1.00 0.00 H new ATOM 0 HH12 ARG A 120 3.042 7.083 1.067 1.00 0.00 H new ATOM 0 HH21 ARG A 120 4.780 9.201 -1.151 1.00 0.00 H new ATOM 0 HH22 ARG A 120 3.568 9.106 0.131 1.00 0.00 H new ATOM 333 N CYS A 121 7.376 1.177 -4.922 1.00 0.00 N ATOM 334 CA CYS A 121 7.260 0.544 -6.230 1.00 0.00 C ATOM 335 C CYS A 121 5.988 0.996 -6.942 1.00 0.00 C ATOM 336 O CYS A 121 5.170 1.720 -6.375 1.00 0.00 O ATOM 337 CB CYS A 121 7.263 -0.979 -6.085 1.00 0.00 C ATOM 338 SG CYS A 121 8.774 -1.650 -5.319 1.00 0.00 S ATOM 0 H CYS A 121 7.263 0.539 -4.134 1.00 0.00 H new ATOM 0 HA CYS A 121 8.118 0.847 -6.830 1.00 0.00 H new ATOM 0 HB2 CYS A 121 6.402 -1.278 -5.487 1.00 0.00 H new ATOM 0 HB3 CYS A 121 7.138 -1.427 -7.071 1.00 0.00 H new ATOM 343 N LYS A 122 5.829 0.563 -8.188 1.00 0.00 N ATOM 344 CA LYS A 122 4.657 0.920 -8.978 1.00 0.00 C ATOM 345 C LYS A 122 3.495 -0.023 -8.685 1.00 0.00 C ATOM 346 O LYS A 122 3.673 -1.120 -8.156 1.00 0.00 O ATOM 347 CB LYS A 122 4.993 0.884 -10.471 1.00 0.00 C ATOM 348 CG LYS A 122 6.449 1.193 -10.775 1.00 0.00 C ATOM 349 CD LYS A 122 6.604 1.883 -12.119 1.00 0.00 C ATOM 350 CE LYS A 122 7.800 2.823 -12.129 1.00 0.00 C ATOM 351 NZ LYS A 122 7.415 4.208 -12.517 1.00 0.00 N ATOM 0 H LYS A 122 6.497 -0.036 -8.673 1.00 0.00 H new ATOM 0 HA LYS A 122 4.359 1.932 -8.703 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.750 -0.102 -10.866 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.361 1.602 -10.994 1.00 0.00 H new ATOM 0 HG2 LYS A 122 6.859 1.828 -9.990 1.00 0.00 H new ATOM 0 HG3 LYS A 122 7.027 0.269 -10.771 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.722 1.134 -12.902 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.698 2.443 -12.348 1.00 0.00 H new ATOM 0 HE2 LYS A 122 8.259 2.837 -11.140 1.00 0.00 H new ATOM 0 HE3 LYS A 122 8.551 2.447 -12.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 8.258 4.817 -12.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 7.001 4.199 -13.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.717 4.577 -11.840 1.00 0.00 H new ATOM 365 N PRO A 123 2.276 0.412 -9.036 1.00 0.00 N ATOM 366 CA PRO A 123 1.060 -0.379 -8.821 1.00 0.00 C ATOM 367 C PRO A 123 0.995 -1.600 -9.733 1.00 0.00 C ATOM 368 O PRO A 123 0.403 -2.618 -9.379 1.00 0.00 O ATOM 369 CB PRO A 123 -0.066 0.601 -9.159 1.00 0.00 C ATOM 370 CG PRO A 123 0.553 1.581 -10.096 1.00 0.00 C ATOM 371 CD PRO A 123 1.989 1.710 -9.670 1.00 0.00 C ATOM 0 HA PRO A 123 1.007 -0.777 -7.808 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -0.910 0.090 -9.622 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -0.444 1.094 -8.263 1.00 0.00 H new ATOM 0 HG2 PRO A 123 0.481 1.234 -11.127 1.00 0.00 H new ATOM 0 HG3 PRO A 123 0.043 2.543 -10.047 1.00 0.00 H new ATOM 0 HD2 PRO A 123 2.645 1.895 -10.520 1.00 0.00 H new ATOM 0 HD3 PRO A 123 2.129 2.537 -8.974 1.00 0.00 H new ATOM 379 N GLU A 124 1.608 -1.489 -10.908 1.00 0.00 N ATOM 380 CA GLU A 124 1.618 -2.585 -11.870 1.00 0.00 C ATOM 381 C GLU A 124 2.566 -3.693 -11.422 1.00 0.00 C ATOM 382 O GLU A 124 2.374 -4.862 -11.758 1.00 0.00 O ATOM 383 CB GLU A 124 2.029 -2.075 -13.253 1.00 0.00 C ATOM 384 CG GLU A 124 3.516 -1.790 -13.379 1.00 0.00 C ATOM 385 CD GLU A 124 3.888 -1.223 -14.735 1.00 0.00 C ATOM 386 OE1 GLU A 124 2.994 -0.681 -15.418 1.00 0.00 O ATOM 387 OE2 GLU A 124 5.074 -1.320 -15.113 1.00 0.00 O ATOM 0 H GLU A 124 2.103 -0.652 -11.216 1.00 0.00 H new ATOM 0 HA GLU A 124 0.609 -2.994 -11.927 1.00 0.00 H new ATOM 0 HB2 GLU A 124 1.744 -2.813 -14.003 1.00 0.00 H new ATOM 0 HB3 GLU A 124 1.473 -1.164 -13.475 1.00 0.00 H new ATOM 0 HG2 GLU A 124 3.815 -1.087 -12.601 1.00 0.00 H new ATOM 0 HG3 GLU A 124 4.074 -2.710 -13.209 1.00 0.00 H new ATOM 394 N ASP A 125 3.588 -3.318 -10.662 1.00 0.00 N ATOM 395 CA ASP A 125 4.567 -4.279 -10.166 1.00 0.00 C ATOM 396 C ASP A 125 3.950 -5.184 -9.105 1.00 0.00 C ATOM 397 O ASP A 125 2.768 -5.064 -8.780 1.00 0.00 O ATOM 398 CB ASP A 125 5.782 -3.551 -9.590 1.00 0.00 C ATOM 399 CG ASP A 125 6.863 -3.319 -10.627 1.00 0.00 C ATOM 400 OD1 ASP A 125 6.614 -3.601 -11.817 1.00 0.00 O ATOM 401 OD2 ASP A 125 7.960 -2.856 -10.248 1.00 0.00 O ATOM 0 H ASP A 125 3.761 -2.355 -10.375 1.00 0.00 H new ATOM 0 HA ASP A 125 4.888 -4.898 -11.004 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.466 -2.593 -9.178 1.00 0.00 H new ATOM 0 HB3 ASP A 125 6.193 -4.133 -8.765 1.00 0.00 H new ATOM 406 N THR A 126 4.758 -6.093 -8.567 1.00 0.00 N ATOM 407 CA THR A 126 4.291 -7.021 -7.544 1.00 0.00 C ATOM 408 C THR A 126 5.428 -7.432 -6.615 1.00 0.00 C ATOM 409 O THR A 126 5.241 -7.548 -5.405 1.00 0.00 O ATOM 410 CB THR A 126 3.673 -8.285 -8.171 1.00 0.00 C ATOM 411 OG1 THR A 126 4.666 -8.996 -8.919 1.00 0.00 O ATOM 412 CG2 THR A 126 2.509 -7.923 -9.081 1.00 0.00 C ATOM 0 H THR A 126 5.739 -6.206 -8.823 1.00 0.00 H new ATOM 0 HA THR A 126 3.526 -6.499 -6.969 1.00 0.00 H new ATOM 0 HB THR A 126 3.301 -8.919 -7.366 1.00 0.00 H new ATOM 0 HG1 THR A 126 4.266 -9.799 -9.313 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.088 -8.831 -9.513 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.742 -7.407 -8.503 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.861 -7.271 -9.880 1.00 0.00 H new ATOM 420 N ALA A 127 6.606 -7.650 -7.190 1.00 0.00 N ATOM 421 CA ALA A 127 7.774 -8.045 -6.412 1.00 0.00 C ATOM 422 C ALA A 127 8.910 -7.043 -6.580 1.00 0.00 C ATOM 423 O ALA A 127 8.760 -6.026 -7.259 1.00 0.00 O ATOM 424 CB ALA A 127 8.232 -9.438 -6.819 1.00 0.00 C ATOM 0 H ALA A 127 6.777 -7.560 -8.192 1.00 0.00 H new ATOM 0 HA ALA A 127 7.491 -8.060 -5.360 1.00 0.00 H new ATOM 0 HB1 ALA A 127 9.105 -9.720 -6.230 1.00 0.00 H new ATOM 0 HB2 ALA A 127 7.428 -10.152 -6.641 1.00 0.00 H new ATOM 0 HB3 ALA A 127 8.492 -9.441 -7.878 1.00 0.00 H new ATOM 430 N CYS A 128 10.047 -7.334 -5.957 1.00 0.00 N ATOM 431 CA CYS A 128 11.210 -6.458 -6.036 1.00 0.00 C ATOM 432 C CYS A 128 12.402 -7.190 -6.645 1.00 0.00 C ATOM 433 O CYS A 128 12.427 -8.419 -6.700 1.00 0.00 O ATOM 434 CB CYS A 128 11.575 -5.934 -4.646 1.00 0.00 C ATOM 435 SG CYS A 128 10.682 -4.421 -4.164 1.00 0.00 S ATOM 0 H CYS A 128 10.188 -8.171 -5.391 1.00 0.00 H new ATOM 0 HA CYS A 128 10.956 -5.616 -6.679 1.00 0.00 H new ATOM 0 HB2 CYS A 128 11.372 -6.713 -3.911 1.00 0.00 H new ATOM 0 HB3 CYS A 128 12.646 -5.737 -4.614 1.00 0.00 H new ATOM 440 N MET A 129 13.389 -6.426 -7.101 1.00 0.00 N ATOM 441 CA MET A 129 14.585 -7.002 -7.705 1.00 0.00 C ATOM 442 C MET A 129 15.845 -6.351 -7.142 1.00 0.00 C ATOM 443 O MET A 129 15.810 -5.217 -6.662 1.00 0.00 O ATOM 444 CB MET A 129 14.546 -6.835 -9.225 1.00 0.00 C ATOM 445 CG MET A 129 15.039 -8.057 -9.983 1.00 0.00 C ATOM 446 SD MET A 129 15.622 -7.657 -11.641 1.00 0.00 S ATOM 447 CE MET A 129 14.248 -8.238 -12.633 1.00 0.00 C ATOM 0 H MET A 129 13.384 -5.407 -7.064 1.00 0.00 H new ATOM 0 HA MET A 129 14.608 -8.065 -7.465 1.00 0.00 H new ATOM 0 HB2 MET A 129 13.524 -6.615 -9.532 1.00 0.00 H new ATOM 0 HB3 MET A 129 15.155 -5.975 -9.504 1.00 0.00 H new ATOM 0 HG2 MET A 129 15.847 -8.527 -9.422 1.00 0.00 H new ATOM 0 HG3 MET A 129 14.232 -8.787 -10.052 1.00 0.00 H new ATOM 0 HE1 MET A 129 14.459 -8.060 -13.687 1.00 0.00 H new ATOM 0 HE2 MET A 129 14.105 -9.306 -12.467 1.00 0.00 H new ATOM 0 HE3 MET A 129 13.342 -7.703 -12.349 1.00 0.00 H new ATOM 457 N THR A 130 16.958 -7.074 -7.205 1.00 0.00 N ATOM 458 CA THR A 130 18.229 -6.568 -6.701 1.00 0.00 C ATOM 459 C THR A 130 19.402 -7.154 -7.479 1.00 0.00 C ATOM 460 O THR A 130 19.411 -8.340 -7.809 1.00 0.00 O ATOM 461 CB THR A 130 18.408 -6.889 -5.206 1.00 0.00 C ATOM 462 OG1 THR A 130 17.215 -6.556 -4.487 1.00 0.00 O ATOM 463 CG2 THR A 130 19.587 -6.124 -4.625 1.00 0.00 C ATOM 0 H THR A 130 17.005 -8.013 -7.600 1.00 0.00 H new ATOM 0 HA THR A 130 18.213 -5.486 -6.833 1.00 0.00 H new ATOM 0 HB THR A 130 18.605 -7.957 -5.108 1.00 0.00 H new ATOM 0 HG1 THR A 130 17.121 -7.153 -3.715 1.00 0.00 H new ATOM 0 HG21 THR A 130 19.693 -6.367 -3.568 1.00 0.00 H new ATOM 0 HG22 THR A 130 20.498 -6.402 -5.155 1.00 0.00 H new ATOM 0 HG23 THR A 130 19.416 -5.053 -4.735 1.00 0.00 H new ATOM 471 N THR A 131 20.391 -6.315 -7.770 1.00 0.00 N ATOM 472 CA THR A 131 21.569 -6.749 -8.510 1.00 0.00 C ATOM 473 C THR A 131 22.829 -6.626 -7.660 1.00 0.00 C ATOM 474 O THR A 131 23.288 -5.521 -7.369 1.00 0.00 O ATOM 475 CB THR A 131 21.754 -5.932 -9.802 1.00 0.00 C ATOM 476 OG1 THR A 131 20.579 -6.029 -10.615 1.00 0.00 O ATOM 477 CG2 THR A 131 22.961 -6.424 -10.586 1.00 0.00 C ATOM 0 H THR A 131 20.399 -5.330 -7.504 1.00 0.00 H new ATOM 0 HA THR A 131 21.410 -7.795 -8.770 1.00 0.00 H new ATOM 0 HB THR A 131 21.920 -4.891 -9.526 1.00 0.00 H new ATOM 0 HG1 THR A 131 20.704 -5.505 -11.434 1.00 0.00 H new ATOM 0 HG21 THR A 131 23.071 -5.832 -11.494 1.00 0.00 H new ATOM 0 HG22 THR A 131 23.858 -6.322 -9.975 1.00 0.00 H new ATOM 0 HG23 THR A 131 22.820 -7.472 -10.851 1.00 0.00 H new ATOM 733 N THR A 148 22.495 -2.559 -8.333 1.00 0.00 N ATOM 734 CA THR A 148 21.292 -1.873 -8.786 1.00 0.00 C ATOM 735 C THR A 148 20.036 -2.583 -8.294 1.00 0.00 C ATOM 736 O THR A 148 19.816 -3.756 -8.597 1.00 0.00 O ATOM 737 CB THR A 148 21.245 -1.776 -10.323 1.00 0.00 C ATOM 738 OG1 THR A 148 20.882 -3.043 -10.882 1.00 0.00 O ATOM 739 CG2 THR A 148 22.592 -1.339 -10.879 1.00 0.00 C ATOM 0 HA THR A 148 21.325 -0.867 -8.367 1.00 0.00 H new ATOM 0 HB THR A 148 20.498 -1.031 -10.596 1.00 0.00 H new ATOM 0 HG1 THR A 148 20.397 -3.569 -10.212 1.00 0.00 H new ATOM 0 HG21 THR A 148 22.534 -1.278 -11.966 1.00 0.00 H new ATOM 0 HG22 THR A 148 22.853 -0.361 -10.474 1.00 0.00 H new ATOM 0 HG23 THR A 148 23.355 -2.064 -10.597 1.00 0.00 H new ATOM 747 N ARG A 149 19.214 -1.865 -7.536 1.00 0.00 N ATOM 748 CA ARG A 149 17.980 -2.427 -7.002 1.00 0.00 C ATOM 749 C ARG A 149 16.761 -1.735 -7.605 1.00 0.00 C ATOM 750 O ARG A 149 16.646 -0.510 -7.563 1.00 0.00 O ATOM 751 CB ARG A 149 17.951 -2.296 -5.478 1.00 0.00 C ATOM 752 CG ARG A 149 17.207 -3.424 -4.783 1.00 0.00 C ATOM 753 CD ARG A 149 17.480 -3.433 -3.287 1.00 0.00 C ATOM 754 NE ARG A 149 16.274 -3.717 -2.513 1.00 0.00 N ATOM 755 CZ ARG A 149 16.288 -4.051 -1.227 1.00 0.00 C ATOM 756 NH1 ARG A 149 17.439 -4.141 -0.575 1.00 0.00 N ATOM 757 NH2 ARG A 149 15.150 -4.294 -0.591 1.00 0.00 N ATOM 0 H ARG A 149 19.381 -0.892 -7.278 1.00 0.00 H new ATOM 0 HA ARG A 149 17.947 -3.483 -7.270 1.00 0.00 H new ATOM 0 HB2 ARG A 149 18.975 -2.264 -5.105 1.00 0.00 H new ATOM 0 HB3 ARG A 149 17.485 -1.347 -5.212 1.00 0.00 H new ATOM 0 HG2 ARG A 149 16.136 -3.317 -4.958 1.00 0.00 H new ATOM 0 HG3 ARG A 149 17.507 -4.379 -5.214 1.00 0.00 H new ATOM 0 HD2 ARG A 149 18.240 -4.181 -3.062 1.00 0.00 H new ATOM 0 HD3 ARG A 149 17.885 -2.467 -2.986 1.00 0.00 H new ATOM 0 HE ARG A 149 15.372 -3.656 -2.985 1.00 0.00 H new ATOM 0 HH11 ARG A 149 18.316 -3.954 -1.061 1.00 0.00 H new ATOM 0 HH12 ARG A 149 17.447 -4.398 0.412 1.00 0.00 H new ATOM 0 HH21 ARG A 149 14.263 -4.225 -1.089 1.00 0.00 H new ATOM 0 HH22 ARG A 149 15.162 -4.550 0.396 1.00 0.00 H new ATOM 771 N SER A 150 15.854 -2.528 -8.168 1.00 0.00 N ATOM 772 CA SER A 150 14.647 -1.991 -8.784 1.00 0.00 C ATOM 773 C SER A 150 13.479 -2.959 -8.623 1.00 0.00 C ATOM 774 O SER A 150 13.669 -4.174 -8.548 1.00 0.00 O ATOM 775 CB SER A 150 14.888 -1.708 -10.268 1.00 0.00 C ATOM 776 OG SER A 150 15.434 -2.841 -10.921 1.00 0.00 O ATOM 0 H SER A 150 15.933 -3.544 -8.210 1.00 0.00 H new ATOM 0 HA SER A 150 14.396 -1.058 -8.280 1.00 0.00 H new ATOM 0 HB2 SER A 150 13.949 -1.427 -10.745 1.00 0.00 H new ATOM 0 HB3 SER A 150 15.566 -0.861 -10.375 1.00 0.00 H new ATOM 0 HG SER A 150 15.577 -2.635 -11.868 1.00 0.00 H new ATOM 782 N CYS A 151 12.268 -2.413 -8.571 1.00 0.00 N ATOM 783 CA CYS A 151 11.068 -3.226 -8.419 1.00 0.00 C ATOM 784 C CYS A 151 10.814 -4.061 -9.671 1.00 0.00 C ATOM 785 O CYS A 151 11.398 -3.811 -10.725 1.00 0.00 O ATOM 786 CB CYS A 151 9.857 -2.336 -8.132 1.00 0.00 C ATOM 787 SG CYS A 151 10.139 -1.094 -6.830 1.00 0.00 S ATOM 0 H CYS A 151 12.092 -1.410 -8.632 1.00 0.00 H new ATOM 0 HA CYS A 151 11.222 -3.902 -7.578 1.00 0.00 H new ATOM 0 HB2 CYS A 151 9.569 -1.825 -9.051 1.00 0.00 H new ATOM 0 HB3 CYS A 151 9.017 -2.967 -7.842 1.00 0.00 H new ATOM 792 N SER A 152 9.939 -5.054 -9.546 1.00 0.00 N ATOM 793 CA SER A 152 9.611 -5.929 -10.665 1.00 0.00 C ATOM 794 C SER A 152 8.180 -6.445 -10.549 1.00 0.00 C ATOM 795 O SER A 152 7.548 -6.325 -9.499 1.00 0.00 O ATOM 796 CB SER A 152 10.586 -7.106 -10.724 1.00 0.00 C ATOM 797 OG SER A 152 10.253 -7.992 -11.778 1.00 0.00 O ATOM 0 H SER A 152 9.445 -5.272 -8.681 1.00 0.00 H new ATOM 0 HA SER A 152 9.697 -5.349 -11.584 1.00 0.00 H new ATOM 0 HB2 SER A 152 11.601 -6.735 -10.864 1.00 0.00 H new ATOM 0 HB3 SER A 152 10.571 -7.643 -9.775 1.00 0.00 H new ATOM 0 HG SER A 152 10.892 -8.735 -11.795 1.00 0.00 H new ATOM 803 N SER A 153 7.675 -7.020 -11.636 1.00 0.00 N ATOM 804 CA SER A 153 6.317 -7.551 -11.659 1.00 0.00 C ATOM 805 C SER A 153 6.331 -9.076 -11.706 1.00 0.00 C ATOM 806 O SER A 153 5.319 -9.708 -12.007 1.00 0.00 O ATOM 807 CB SER A 153 5.551 -6.999 -12.863 1.00 0.00 C ATOM 808 OG SER A 153 6.391 -6.898 -13.999 1.00 0.00 O ATOM 0 H SER A 153 8.186 -7.130 -12.512 1.00 0.00 H new ATOM 0 HA SER A 153 5.815 -7.238 -10.744 1.00 0.00 H new ATOM 0 HB2 SER A 153 4.705 -7.649 -13.089 1.00 0.00 H new ATOM 0 HB3 SER A 153 5.143 -6.018 -12.620 1.00 0.00 H new ATOM 0 HG SER A 153 5.878 -6.544 -14.755 1.00 0.00 H new ATOM 814 N SER A 154 7.487 -9.660 -11.408 1.00 0.00 N ATOM 815 CA SER A 154 7.636 -11.111 -11.419 1.00 0.00 C ATOM 816 C SER A 154 9.001 -11.521 -10.876 1.00 0.00 C ATOM 817 O SER A 154 10.005 -11.476 -11.587 1.00 0.00 O ATOM 818 CB SER A 154 7.456 -11.651 -12.839 1.00 0.00 C ATOM 819 OG SER A 154 8.066 -10.797 -13.791 1.00 0.00 O ATOM 0 H SER A 154 8.334 -9.151 -11.156 1.00 0.00 H new ATOM 0 HA SER A 154 6.866 -11.536 -10.775 1.00 0.00 H new ATOM 0 HB2 SER A 154 7.890 -12.648 -12.910 1.00 0.00 H new ATOM 0 HB3 SER A 154 6.394 -11.749 -13.062 1.00 0.00 H new ATOM 0 HG SER A 154 8.985 -10.600 -13.512 1.00 0.00 H new ATOM 825 N CYS A 155 9.030 -11.922 -9.609 1.00 0.00 N ATOM 826 CA CYS A 155 10.270 -12.340 -8.967 1.00 0.00 C ATOM 827 C CYS A 155 10.799 -13.627 -9.593 1.00 0.00 C ATOM 828 O CYS A 155 10.186 -14.688 -9.472 1.00 0.00 O ATOM 829 CB CYS A 155 10.049 -12.543 -7.467 1.00 0.00 C ATOM 830 SG CYS A 155 11.355 -13.515 -6.648 1.00 0.00 S ATOM 0 H CYS A 155 8.208 -11.966 -9.007 1.00 0.00 H new ATOM 0 HA CYS A 155 11.010 -11.553 -9.115 1.00 0.00 H new ATOM 0 HB2 CYS A 155 9.981 -11.568 -6.985 1.00 0.00 H new ATOM 0 HB3 CYS A 155 9.091 -13.041 -7.316 1.00 0.00 H new ATOM 835 N VAL A 156 11.943 -13.527 -10.263 1.00 0.00 N ATOM 836 CA VAL A 156 12.556 -14.682 -10.907 1.00 0.00 C ATOM 837 C VAL A 156 14.078 -14.608 -10.835 1.00 0.00 C ATOM 838 O VAL A 156 14.648 -13.537 -10.630 1.00 0.00 O ATOM 839 CB VAL A 156 12.128 -14.795 -12.382 1.00 0.00 C ATOM 840 CG1 VAL A 156 12.817 -13.730 -13.221 1.00 0.00 C ATOM 841 CG2 VAL A 156 12.431 -16.186 -12.919 1.00 0.00 C ATOM 0 H VAL A 156 12.464 -12.657 -10.374 1.00 0.00 H new ATOM 0 HA VAL A 156 12.212 -15.565 -10.368 1.00 0.00 H new ATOM 0 HB VAL A 156 11.052 -14.632 -12.444 1.00 0.00 H new ATOM 0 HG11 VAL A 156 12.502 -13.826 -14.260 1.00 0.00 H new ATOM 0 HG12 VAL A 156 12.546 -12.742 -12.849 1.00 0.00 H new ATOM 0 HG13 VAL A 156 13.897 -13.858 -13.156 1.00 0.00 H new ATOM 0 HG21 VAL A 156 12.122 -16.248 -13.962 1.00 0.00 H new ATOM 0 HG22 VAL A 156 13.501 -16.379 -12.845 1.00 0.00 H new ATOM 0 HG23 VAL A 156 11.887 -16.928 -12.335 1.00 0.00 H new ATOM 987 N LEU A 168 24.299 -11.665 -9.683 1.00 0.00 N ATOM 988 CA LEU A 168 23.188 -12.401 -9.089 1.00 0.00 C ATOM 989 C LEU A 168 21.940 -11.528 -9.002 1.00 0.00 C ATOM 990 O LEU A 168 21.974 -10.435 -8.437 1.00 0.00 O ATOM 991 CB LEU A 168 23.570 -12.903 -7.695 1.00 0.00 C ATOM 992 CG LEU A 168 24.636 -13.999 -7.646 1.00 0.00 C ATOM 993 CD1 LEU A 168 25.839 -13.537 -6.838 1.00 0.00 C ATOM 994 CD2 LEU A 168 24.058 -15.279 -7.061 1.00 0.00 C ATOM 0 HA LEU A 168 22.968 -13.255 -9.729 1.00 0.00 H new ATOM 0 HB2 LEU A 168 23.923 -12.054 -7.109 1.00 0.00 H new ATOM 0 HB3 LEU A 168 22.670 -13.277 -7.206 1.00 0.00 H new ATOM 0 HG LEU A 168 24.965 -14.205 -8.664 1.00 0.00 H new ATOM 0 HD11 LEU A 168 26.587 -14.329 -6.814 1.00 0.00 H new ATOM 0 HD12 LEU A 168 26.267 -12.647 -7.300 1.00 0.00 H new ATOM 0 HD13 LEU A 168 25.526 -13.303 -5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 168 24.830 -16.048 -7.034 1.00 0.00 H new ATOM 0 HD22 LEU A 168 23.701 -15.088 -6.049 1.00 0.00 H new ATOM 0 HD23 LEU A 168 23.228 -15.620 -7.680 1.00 0.00 H new ATOM 1006 N ILE A 169 20.841 -12.019 -9.564 1.00 0.00 N ATOM 1007 CA ILE A 169 19.582 -11.285 -9.548 1.00 0.00 C ATOM 1008 C ILE A 169 18.647 -11.823 -8.470 1.00 0.00 C ATOM 1009 O ILE A 169 18.047 -12.886 -8.627 1.00 0.00 O ATOM 1010 CB ILE A 169 18.870 -11.357 -10.912 1.00 0.00 C ATOM 1011 CG1 ILE A 169 19.809 -10.894 -12.027 1.00 0.00 C ATOM 1012 CG2 ILE A 169 17.604 -10.514 -10.894 1.00 0.00 C ATOM 1013 CD1 ILE A 169 20.605 -12.018 -12.653 1.00 0.00 C ATOM 0 H ILE A 169 20.797 -12.922 -10.036 1.00 0.00 H new ATOM 0 HA ILE A 169 19.825 -10.245 -9.330 1.00 0.00 H new ATOM 0 HB ILE A 169 18.590 -12.393 -11.105 1.00 0.00 H new ATOM 0 HG12 ILE A 169 19.223 -10.399 -12.802 1.00 0.00 H new ATOM 0 HG13 ILE A 169 20.498 -10.151 -11.625 1.00 0.00 H new ATOM 0 HG21 ILE A 169 17.112 -10.575 -11.865 1.00 0.00 H new ATOM 0 HG22 ILE A 169 16.930 -10.886 -10.122 1.00 0.00 H new ATOM 0 HG23 ILE A 169 17.861 -9.476 -10.682 1.00 0.00 H new ATOM 0 HD11 ILE A 169 21.249 -11.616 -13.435 1.00 0.00 H new ATOM 0 HD12 ILE A 169 21.218 -12.499 -11.890 1.00 0.00 H new ATOM 0 HD13 ILE A 169 19.923 -12.750 -13.085 1.00 0.00 H new ATOM 1025 N PHE A 170 18.525 -11.079 -7.375 1.00 0.00 N ATOM 1026 CA PHE A 170 17.662 -11.480 -6.270 1.00 0.00 C ATOM 1027 C PHE A 170 16.319 -10.759 -6.340 1.00 0.00 C ATOM 1028 O PHE A 170 16.214 -9.672 -6.910 1.00 0.00 O ATOM 1029 CB PHE A 170 18.342 -11.187 -4.931 1.00 0.00 C ATOM 1030 CG PHE A 170 19.179 -12.325 -4.422 1.00 0.00 C ATOM 1031 CD1 PHE A 170 20.519 -12.423 -4.760 1.00 0.00 C ATOM 1032 CD2 PHE A 170 18.625 -13.298 -3.605 1.00 0.00 C ATOM 1033 CE1 PHE A 170 21.292 -13.469 -4.292 1.00 0.00 C ATOM 1034 CE2 PHE A 170 19.393 -14.346 -3.134 1.00 0.00 C ATOM 1035 CZ PHE A 170 20.727 -14.432 -3.479 1.00 0.00 C ATOM 0 H PHE A 170 19.013 -10.195 -7.229 1.00 0.00 H new ATOM 0 HA PHE A 170 17.484 -12.552 -6.352 1.00 0.00 H new ATOM 0 HB2 PHE A 170 18.971 -10.303 -5.038 1.00 0.00 H new ATOM 0 HB3 PHE A 170 17.579 -10.948 -4.190 1.00 0.00 H new ATOM 0 HD1 PHE A 170 20.965 -11.673 -5.397 1.00 0.00 H new ATOM 0 HD2 PHE A 170 17.582 -13.236 -3.333 1.00 0.00 H new ATOM 0 HE1 PHE A 170 22.336 -13.533 -4.562 1.00 0.00 H new ATOM 0 HE2 PHE A 170 18.950 -15.097 -2.497 1.00 0.00 H new ATOM 0 HZ PHE A 170 21.328 -15.251 -3.114 1.00 0.00 H new ATOM 1045 N CYS A 171 15.294 -11.372 -5.758 1.00 0.00 N ATOM 1046 CA CYS A 171 13.957 -10.791 -5.754 1.00 0.00 C ATOM 1047 C CYS A 171 13.180 -11.223 -4.513 1.00 0.00 C ATOM 1048 O CYS A 171 13.591 -12.135 -3.796 1.00 0.00 O ATOM 1049 CB CYS A 171 13.195 -11.203 -7.015 1.00 0.00 C ATOM 1050 SG CYS A 171 13.146 -13.002 -7.299 1.00 0.00 S ATOM 0 H CYS A 171 15.364 -12.272 -5.283 1.00 0.00 H new ATOM 0 HA CYS A 171 14.060 -9.706 -5.738 1.00 0.00 H new ATOM 0 HB2 CYS A 171 12.174 -10.828 -6.948 1.00 0.00 H new ATOM 0 HB3 CYS A 171 13.655 -10.722 -7.878 1.00 0.00 H new ATOM 1055 N CYS A 172 12.054 -10.561 -4.267 1.00 0.00 N ATOM 1056 CA CYS A 172 11.219 -10.875 -3.114 1.00 0.00 C ATOM 1057 C CYS A 172 9.849 -10.214 -3.239 1.00 0.00 C ATOM 1058 O CYS A 172 9.617 -9.407 -4.140 1.00 0.00 O ATOM 1059 CB CYS A 172 11.902 -10.419 -1.824 1.00 0.00 C ATOM 1060 SG CYS A 172 12.543 -8.714 -1.884 1.00 0.00 S ATOM 0 H CYS A 172 11.699 -9.804 -4.851 1.00 0.00 H new ATOM 0 HA CYS A 172 11.080 -11.956 -3.081 1.00 0.00 H new ATOM 0 HB2 CYS A 172 11.192 -10.500 -1.001 1.00 0.00 H new ATOM 0 HB3 CYS A 172 12.725 -11.098 -1.602 1.00 0.00 H new ATOM 1065 N PHE A 173 8.946 -10.560 -2.328 1.00 0.00 N ATOM 1066 CA PHE A 173 7.599 -10.001 -2.336 1.00 0.00 C ATOM 1067 C PHE A 173 7.283 -9.325 -1.005 1.00 0.00 C ATOM 1068 O PHE A 173 6.128 -9.275 -0.581 1.00 0.00 O ATOM 1069 CB PHE A 173 6.571 -11.098 -2.620 1.00 0.00 C ATOM 1070 CG PHE A 173 6.401 -11.396 -4.083 1.00 0.00 C ATOM 1071 CD1 PHE A 173 5.596 -10.596 -4.878 1.00 0.00 C ATOM 1072 CD2 PHE A 173 7.047 -12.477 -4.662 1.00 0.00 C ATOM 1073 CE1 PHE A 173 5.439 -10.868 -6.224 1.00 0.00 C ATOM 1074 CE2 PHE A 173 6.893 -12.753 -6.008 1.00 0.00 C ATOM 1075 CZ PHE A 173 6.087 -11.948 -6.789 1.00 0.00 C ATOM 0 H PHE A 173 9.122 -11.225 -1.575 1.00 0.00 H new ATOM 0 HA PHE A 173 7.548 -9.251 -3.126 1.00 0.00 H new ATOM 0 HB2 PHE A 173 6.872 -12.010 -2.104 1.00 0.00 H new ATOM 0 HB3 PHE A 173 5.609 -10.800 -2.204 1.00 0.00 H new ATOM 0 HD1 PHE A 173 5.086 -9.750 -4.441 1.00 0.00 H new ATOM 0 HD2 PHE A 173 7.677 -13.110 -4.055 1.00 0.00 H new ATOM 0 HE1 PHE A 173 4.810 -10.236 -6.833 1.00 0.00 H new ATOM 0 HE2 PHE A 173 7.403 -13.597 -6.448 1.00 0.00 H new ATOM 0 HZ PHE A 173 5.964 -12.163 -7.840 1.00 0.00 H new ATOM 1085 N ARG A 174 8.318 -8.808 -0.351 1.00 0.00 N ATOM 1086 CA ARG A 174 8.152 -8.136 0.933 1.00 0.00 C ATOM 1087 C ARG A 174 8.928 -6.822 0.963 1.00 0.00 C ATOM 1088 O ARG A 174 10.053 -6.743 0.470 1.00 0.00 O ATOM 1089 CB ARG A 174 8.620 -9.044 2.072 1.00 0.00 C ATOM 1090 CG ARG A 174 7.695 -10.221 2.331 1.00 0.00 C ATOM 1091 CD ARG A 174 6.873 -10.017 3.594 1.00 0.00 C ATOM 1092 NE ARG A 174 6.199 -11.243 4.013 1.00 0.00 N ATOM 1093 CZ ARG A 174 5.415 -11.322 5.083 1.00 0.00 C ATOM 1094 NH1 ARG A 174 5.208 -10.251 5.837 1.00 0.00 N ATOM 1095 NH2 ARG A 174 4.836 -12.473 5.399 1.00 0.00 N ATOM 0 H ARG A 174 9.280 -8.841 -0.689 1.00 0.00 H new ATOM 0 HA ARG A 174 7.093 -7.915 1.066 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.616 -9.420 1.840 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.707 -8.453 2.984 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.028 -10.355 1.479 1.00 0.00 H new ATOM 0 HG3 ARG A 174 8.283 -11.134 2.422 1.00 0.00 H new ATOM 0 HD2 ARG A 174 7.523 -9.668 4.397 1.00 0.00 H new ATOM 0 HD3 ARG A 174 6.132 -9.237 3.422 1.00 0.00 H new ATOM 0 HE ARG A 174 6.338 -12.085 3.454 1.00 0.00 H new ATOM 0 HH11 ARG A 174 5.651 -9.364 5.596 1.00 0.00 H new ATOM 0 HH12 ARG A 174 4.606 -10.314 6.658 1.00 0.00 H new ATOM 0 HH21 ARG A 174 4.992 -13.298 4.820 1.00 0.00 H new ATOM 0 HH22 ARG A 174 4.234 -12.533 6.221 1.00 0.00 H new ATOM 1109 N ASP A 175 8.318 -5.795 1.545 1.00 0.00 N ATOM 1110 CA ASP A 175 8.952 -4.485 1.640 1.00 0.00 C ATOM 1111 C ASP A 175 10.243 -4.563 2.449 1.00 0.00 C ATOM 1112 O ASP A 175 10.245 -5.018 3.593 1.00 0.00 O ATOM 1113 CB ASP A 175 7.995 -3.478 2.280 1.00 0.00 C ATOM 1114 CG ASP A 175 6.571 -3.636 1.784 1.00 0.00 C ATOM 1115 OD1 ASP A 175 5.921 -4.635 2.157 1.00 0.00 O ATOM 1116 OD2 ASP A 175 6.107 -2.762 1.022 1.00 0.00 O ATOM 0 H ASP A 175 7.386 -5.844 1.958 1.00 0.00 H new ATOM 0 HA ASP A 175 9.196 -4.153 0.631 1.00 0.00 H new ATOM 0 HB2 ASP A 175 8.015 -3.600 3.363 1.00 0.00 H new ATOM 0 HB3 ASP A 175 8.341 -2.467 2.067 1.00 0.00 H new ATOM 1121 N LEU A 176 11.340 -4.118 1.846 1.00 0.00 N ATOM 1122 CA LEU A 176 12.639 -4.139 2.509 1.00 0.00 C ATOM 1123 C LEU A 176 13.030 -5.561 2.898 1.00 0.00 C ATOM 1124 O LEU A 176 13.671 -5.781 3.926 1.00 0.00 O ATOM 1125 CB LEU A 176 12.613 -3.247 3.752 1.00 0.00 C ATOM 1126 CG LEU A 176 11.748 -1.990 3.658 1.00 0.00 C ATOM 1127 CD1 LEU A 176 11.917 -1.132 4.902 1.00 0.00 C ATOM 1128 CD2 LEU A 176 12.097 -1.195 2.408 1.00 0.00 C ATOM 0 H LEU A 176 11.356 -3.738 0.899 1.00 0.00 H new ATOM 0 HA LEU A 176 13.382 -3.757 1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 176 12.263 -3.843 4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 176 13.635 -2.944 3.979 1.00 0.00 H new ATOM 0 HG LEU A 176 10.704 -2.295 3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 176 11.294 -0.242 4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 176 11.617 -1.703 5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 176 12.961 -0.836 5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 176 11.472 -0.304 2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 176 13.146 -0.901 2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 176 11.924 -1.810 1.525 1.00 0.00 H new ATOM 1140 N CYS A 177 12.640 -6.524 2.069 1.00 0.00 N ATOM 1141 CA CYS A 177 12.951 -7.925 2.324 1.00 0.00 C ATOM 1142 C CYS A 177 14.440 -8.112 2.598 1.00 0.00 C ATOM 1143 O CYS A 177 14.845 -9.065 3.261 1.00 0.00 O ATOM 1144 CB CYS A 177 12.528 -8.788 1.134 1.00 0.00 C ATOM 1145 SG CYS A 177 13.753 -8.848 -0.213 1.00 0.00 S ATOM 0 H CYS A 177 12.108 -6.359 1.215 1.00 0.00 H new ATOM 0 HA CYS A 177 12.395 -8.239 3.208 1.00 0.00 H new ATOM 0 HB2 CYS A 177 12.338 -9.803 1.484 1.00 0.00 H new ATOM 0 HB3 CYS A 177 11.587 -8.406 0.738 1.00 0.00 H new ATOM 1150 N ASN A 178 15.250 -7.193 2.082 1.00 0.00 N ATOM 1151 CA ASN A 178 16.695 -7.255 2.270 1.00 0.00 C ATOM 1152 C ASN A 178 17.294 -5.855 2.357 1.00 0.00 C ATOM 1153 O ASN A 178 16.583 -4.857 2.239 1.00 0.00 O ATOM 1154 CB ASN A 178 17.347 -8.031 1.123 1.00 0.00 C ATOM 1155 CG ASN A 178 17.736 -7.132 -0.035 1.00 0.00 C ATOM 1156 OD1 ASN A 178 18.819 -6.546 -0.044 1.00 0.00 O ATOM 1157 ND2 ASN A 178 16.851 -7.019 -1.019 1.00 0.00 N ATOM 0 H ASN A 178 14.930 -6.397 1.531 1.00 0.00 H new ATOM 0 HA ASN A 178 16.892 -7.773 3.209 1.00 0.00 H new ATOM 0 HB2 ASN A 178 18.233 -8.546 1.494 1.00 0.00 H new ATOM 0 HB3 ASN A 178 16.658 -8.798 0.769 1.00 0.00 H new ATOM 0 HD21 ASN A 178 17.057 -6.428 -1.824 1.00 0.00 H new ATOM 0 HD22 ASN A 178 15.966 -7.523 -0.969 1.00 0.00 H new