USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 324 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 Single : A 1 TYR N :NH3+ 136:sc= 0.781 (180deg=0.182) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.888 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 93:sc= 0.00235 USER MOD Single : A 24 TYR OH : rot -65:sc= 0.487 USER MOD Single : A 32 SER OG : rot -120:sc= -0.38 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 12.749 -14.090 6.311 1.00 0.00 N ATOM 2 CA TYR A 1 12.988 -12.624 6.378 1.00 0.00 C ATOM 3 C TYR A 1 11.899 -11.853 5.640 1.00 0.00 C ATOM 4 O TYR A 1 11.165 -12.418 4.830 1.00 0.00 O ATOM 5 CB TYR A 1 14.356 -12.326 5.763 1.00 0.00 C ATOM 6 CG TYR A 1 15.468 -13.195 6.306 1.00 0.00 C ATOM 7 CD1 TYR A 1 16.040 -12.931 7.545 1.00 0.00 C ATOM 8 CD2 TYR A 1 15.945 -14.279 5.581 1.00 0.00 C ATOM 9 CE1 TYR A 1 17.056 -13.722 8.045 1.00 0.00 C ATOM 10 CE2 TYR A 1 16.961 -15.076 6.074 1.00 0.00 C ATOM 11 CZ TYR A 1 17.513 -14.793 7.305 1.00 0.00 C ATOM 12 OH TYR A 1 18.524 -15.584 7.800 1.00 0.00 O ATOM 0 H1 TYR A 1 13.643 -14.578 6.100 1.00 0.00 H new ATOM 0 H2 TYR A 1 12.379 -14.424 7.224 1.00 0.00 H new ATOM 0 H3 TYR A 1 12.057 -14.295 5.562 1.00 0.00 H new ATOM 0 HA TYR A 1 12.966 -12.305 7.420 1.00 0.00 H new ATOM 0 HB2 TYR A 1 14.296 -12.460 4.683 1.00 0.00 H new ATOM 0 HB3 TYR A 1 14.605 -11.280 5.941 1.00 0.00 H new ATOM 0 HD1 TYR A 1 15.684 -12.093 8.126 1.00 0.00 H new ATOM 0 HD2 TYR A 1 15.515 -14.503 4.616 1.00 0.00 H new ATOM 0 HE1 TYR A 1 17.490 -13.503 9.009 1.00 0.00 H new ATOM 0 HE2 TYR A 1 17.320 -15.916 5.498 1.00 0.00 H new ATOM 0 HH TYR A 1 18.728 -16.295 7.157 1.00 0.00 H new ATOM 24 N ILE A 2 11.800 -10.559 5.925 1.00 0.00 N ATOM 25 CA ILE A 2 10.801 -9.710 5.289 1.00 0.00 C ATOM 26 C ILE A 2 11.422 -8.413 4.784 1.00 0.00 C ATOM 27 O ILE A 2 11.574 -7.450 5.537 1.00 0.00 O ATOM 28 CB ILE A 2 9.652 -9.371 6.257 1.00 0.00 C ATOM 29 CG1 ILE A 2 9.141 -10.639 6.944 1.00 0.00 C ATOM 30 CG2 ILE A 2 8.522 -8.672 5.516 1.00 0.00 C ATOM 31 CD1 ILE A 2 8.509 -11.629 5.991 1.00 0.00 C ATOM 0 H ILE A 2 12.400 -10.075 6.593 1.00 0.00 H new ATOM 0 HA ILE A 2 10.402 -10.272 4.445 1.00 0.00 H new ATOM 0 HB ILE A 2 10.032 -8.694 7.022 1.00 0.00 H new ATOM 0 HG12 ILE A 2 9.970 -11.122 7.460 1.00 0.00 H new ATOM 0 HG13 ILE A 2 8.411 -10.362 7.704 1.00 0.00 H new ATOM 0 HG21 ILE A 2 7.718 -8.439 6.214 1.00 0.00 H new ATOM 0 HG22 ILE A 2 8.895 -7.749 5.071 1.00 0.00 H new ATOM 0 HG23 ILE A 2 8.143 -9.326 4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 2 8.170 -12.503 6.547 1.00 0.00 H new ATOM 0 HD12 ILE A 2 7.659 -11.163 5.493 1.00 0.00 H new ATOM 0 HD13 ILE A 2 9.243 -11.935 5.245 1.00 0.00 H new ATOM 43 N THR A 3 11.782 -8.394 3.505 1.00 0.00 N ATOM 44 CA THR A 3 12.388 -7.214 2.898 1.00 0.00 C ATOM 45 C THR A 3 11.350 -6.386 2.148 1.00 0.00 C ATOM 46 O THR A 3 11.529 -5.185 1.943 1.00 0.00 O ATOM 47 CB THR A 3 13.514 -7.624 1.948 1.00 0.00 C ATOM 48 OG1 THR A 3 13.018 -8.446 0.907 1.00 0.00 O ATOM 49 CG2 THR A 3 14.633 -8.378 2.635 1.00 0.00 C ATOM 0 H THR A 3 11.665 -9.182 2.868 1.00 0.00 H new ATOM 0 HA THR A 3 12.801 -6.601 3.699 1.00 0.00 H new ATOM 0 HB THR A 3 13.915 -6.689 1.556 1.00 0.00 H new ATOM 0 HG1 THR A 3 13.753 -8.696 0.309 1.00 0.00 H new ATOM 0 HG21 THR A 3 15.398 -8.639 1.904 1.00 0.00 H new ATOM 0 HG22 THR A 3 15.071 -7.751 3.411 1.00 0.00 H new ATOM 0 HG23 THR A 3 14.236 -9.288 3.085 1.00 0.00 H new ATOM 57 N CYS A 4 10.265 -7.034 1.740 1.00 0.00 N ATOM 58 CA CYS A 4 9.198 -6.357 1.012 1.00 0.00 C ATOM 59 C CYS A 4 8.092 -5.908 1.962 1.00 0.00 C ATOM 60 O CYS A 4 8.197 -6.076 3.176 1.00 0.00 O ATOM 61 CB CYS A 4 8.621 -7.277 -0.064 1.00 0.00 C ATOM 62 SG CYS A 4 7.926 -8.833 0.581 1.00 0.00 S ATOM 0 H CYS A 4 10.101 -8.028 1.901 1.00 0.00 H new ATOM 0 HA CYS A 4 9.622 -5.474 0.534 1.00 0.00 H new ATOM 0 HB2 CYS A 4 7.842 -6.741 -0.606 1.00 0.00 H new ATOM 0 HB3 CYS A 4 9.405 -7.513 -0.784 1.00 0.00 H new ATOM 67 N LEU A 5 7.033 -5.336 1.398 1.00 0.00 N ATOM 68 CA LEU A 5 5.906 -4.862 2.195 1.00 0.00 C ATOM 69 C LEU A 5 4.680 -5.744 1.986 1.00 0.00 C ATOM 70 O LEU A 5 4.132 -5.812 0.885 1.00 0.00 O ATOM 71 CB LEU A 5 5.574 -3.413 1.831 1.00 0.00 C ATOM 72 CG LEU A 5 6.672 -2.397 2.146 1.00 0.00 C ATOM 73 CD1 LEU A 5 6.356 -1.055 1.505 1.00 0.00 C ATOM 74 CD2 LEU A 5 6.840 -2.245 3.651 1.00 0.00 C ATOM 0 H LEU A 5 6.931 -5.189 0.394 1.00 0.00 H new ATOM 0 HA LEU A 5 6.190 -4.912 3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.351 -3.365 0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.667 -3.120 2.360 1.00 0.00 H new ATOM 0 HG LEU A 5 7.611 -2.763 1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.148 -0.344 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.285 -1.176 0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.407 -0.682 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.625 -1.518 3.858 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.903 -1.901 4.089 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.112 -3.207 4.086 1.00 0.00 H new ATOM 86 N PHE A 6 4.255 -6.418 3.049 1.00 0.00 N ATOM 87 CA PHE A 6 3.092 -7.296 2.983 1.00 0.00 C ATOM 88 C PHE A 6 1.814 -6.532 3.315 1.00 0.00 C ATOM 89 O PHE A 6 1.859 -5.352 3.667 1.00 0.00 O ATOM 90 CB PHE A 6 3.261 -8.474 3.944 1.00 0.00 C ATOM 91 CG PHE A 6 2.549 -9.719 3.499 1.00 0.00 C ATOM 92 CD1 PHE A 6 2.784 -10.257 2.244 1.00 0.00 C ATOM 93 CD2 PHE A 6 1.644 -10.352 4.337 1.00 0.00 C ATOM 94 CE1 PHE A 6 2.130 -11.403 1.832 1.00 0.00 C ATOM 95 CE2 PHE A 6 0.987 -11.498 3.931 1.00 0.00 C ATOM 96 CZ PHE A 6 1.230 -12.024 2.677 1.00 0.00 C ATOM 0 H PHE A 6 4.698 -6.373 3.967 1.00 0.00 H new ATOM 0 HA PHE A 6 3.012 -7.676 1.965 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.323 -8.693 4.054 1.00 0.00 H new ATOM 0 HB3 PHE A 6 2.891 -8.186 4.928 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.486 -9.775 1.580 1.00 0.00 H new ATOM 0 HD2 PHE A 6 1.450 -9.945 5.318 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.322 -11.812 0.851 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.284 -11.982 4.593 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.717 -12.919 2.357 1.00 0.00 H new ATOM 106 N ARG A 7 0.676 -7.211 3.201 1.00 0.00 N ATOM 107 CA ARG A 7 -0.614 -6.594 3.490 1.00 0.00 C ATOM 108 C ARG A 7 -0.651 -6.046 4.914 1.00 0.00 C ATOM 109 O ARG A 7 -0.095 -6.646 5.834 1.00 0.00 O ATOM 110 CB ARG A 7 -1.744 -7.606 3.291 1.00 0.00 C ATOM 111 CG ARG A 7 -1.443 -8.978 3.873 1.00 0.00 C ATOM 112 CD ARG A 7 -2.461 -9.375 4.930 1.00 0.00 C ATOM 113 NE ARG A 7 -2.576 -10.826 5.063 1.00 0.00 N ATOM 114 CZ ARG A 7 -3.268 -11.594 4.224 1.00 0.00 C ATOM 115 NH1 ARG A 7 -3.908 -11.055 3.194 1.00 0.00 N ATOM 116 NH2 ARG A 7 -3.320 -12.905 4.416 1.00 0.00 N ATOM 0 H ARG A 7 0.621 -8.187 2.911 1.00 0.00 H new ATOM 0 HA ARG A 7 -0.753 -5.764 2.798 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.653 -7.218 3.750 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.944 -7.709 2.225 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.440 -9.720 3.074 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.445 -8.977 4.311 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.174 -8.945 5.889 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.434 -8.957 4.672 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.098 -11.276 5.844 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.871 -10.047 3.042 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.436 -11.649 2.555 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.830 -13.325 5.206 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.850 -13.494 3.774 1.00 0.00 H new ATOM 130 N GLY A 8 -1.308 -4.905 5.086 1.00 0.00 N ATOM 131 CA GLY A 8 -1.404 -4.295 6.399 1.00 0.00 C ATOM 132 C GLY A 8 -0.099 -3.658 6.838 1.00 0.00 C ATOM 133 O GLY A 8 0.164 -3.527 8.034 1.00 0.00 O ATOM 0 H GLY A 8 -1.776 -4.391 4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.189 -3.539 6.389 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.699 -5.051 7.127 1.00 0.00 H new ATOM 137 N ALA A 9 0.719 -3.261 5.869 1.00 0.00 N ATOM 138 CA ALA A 9 2.002 -2.635 6.160 1.00 0.00 C ATOM 139 C ALA A 9 1.946 -1.131 5.912 1.00 0.00 C ATOM 140 O ALA A 9 1.012 -0.629 5.287 1.00 0.00 O ATOM 141 CB ALA A 9 3.101 -3.270 5.322 1.00 0.00 C ATOM 0 H ALA A 9 0.515 -3.362 4.875 1.00 0.00 H new ATOM 0 HA ALA A 9 2.227 -2.795 7.214 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.054 -2.793 5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.164 -4.334 5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.873 -3.139 4.264 1.00 0.00 H new ATOM 147 N ARG A 10 2.952 -0.417 6.406 1.00 0.00 N ATOM 148 CA ARG A 10 3.016 1.030 6.237 1.00 0.00 C ATOM 149 C ARG A 10 3.884 1.400 5.039 1.00 0.00 C ATOM 150 O ARG A 10 5.039 0.983 4.942 1.00 0.00 O ATOM 151 CB ARG A 10 3.564 1.688 7.506 1.00 0.00 C ATOM 152 CG ARG A 10 2.488 2.316 8.377 1.00 0.00 C ATOM 153 CD ARG A 10 2.455 3.828 8.223 1.00 0.00 C ATOM 154 NE ARG A 10 3.482 4.484 9.028 1.00 0.00 N ATOM 155 CZ ARG A 10 3.911 5.726 8.817 1.00 0.00 C ATOM 156 NH1 ARG A 10 3.401 6.452 7.828 1.00 0.00 N ATOM 157 NH2 ARG A 10 4.849 6.245 9.595 1.00 0.00 N ATOM 0 H ARG A 10 3.733 -0.816 6.926 1.00 0.00 H new ATOM 0 HA ARG A 10 2.006 1.396 6.055 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.102 0.941 8.089 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.286 2.455 7.225 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.516 1.901 8.111 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.669 2.060 9.421 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.596 4.088 7.174 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.473 4.201 8.515 1.00 0.00 H new ATOM 0 HE ARG A 10 3.895 3.959 9.798 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.678 6.058 7.227 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.733 7.403 7.670 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.243 5.693 10.357 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.177 7.197 9.433 1.00 0.00 H new ATOM 171 N CYS A 11 3.321 2.187 4.128 1.00 0.00 N ATOM 172 CA CYS A 11 4.040 2.617 2.936 1.00 0.00 C ATOM 173 C CYS A 11 3.608 4.019 2.518 1.00 0.00 C ATOM 174 O CYS A 11 2.639 4.562 3.048 1.00 0.00 O ATOM 175 CB CYS A 11 3.803 1.633 1.788 1.00 0.00 C ATOM 176 SG CYS A 11 2.044 1.334 1.418 1.00 0.00 S ATOM 0 H CYS A 11 2.366 2.540 4.194 1.00 0.00 H new ATOM 0 HA CYS A 11 5.104 2.639 3.171 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.293 2.012 0.891 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.278 0.683 2.033 1.00 0.00 H new ATOM 181 N ARG A 12 4.332 4.599 1.567 1.00 0.00 N ATOM 182 CA ARG A 12 4.019 5.939 1.082 1.00 0.00 C ATOM 183 C ARG A 12 4.030 5.981 -0.443 1.00 0.00 C ATOM 184 O ARG A 12 4.427 5.019 -1.099 1.00 0.00 O ATOM 185 CB ARG A 12 5.014 6.957 1.643 1.00 0.00 C ATOM 186 CG ARG A 12 6.460 6.488 1.603 1.00 0.00 C ATOM 187 CD ARG A 12 6.756 5.495 2.715 1.00 0.00 C ATOM 188 NE ARG A 12 8.092 5.687 3.278 1.00 0.00 N ATOM 189 CZ ARG A 12 8.707 4.792 4.048 1.00 0.00 C ATOM 190 NH1 ARG A 12 8.111 3.646 4.352 1.00 0.00 N ATOM 191 NH2 ARG A 12 9.923 5.045 4.515 1.00 0.00 N ATOM 0 H ARG A 12 5.138 4.164 1.117 1.00 0.00 H new ATOM 0 HA ARG A 12 3.018 6.198 1.427 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.927 7.885 1.078 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.744 7.185 2.674 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.667 6.027 0.637 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.125 7.347 1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.011 5.601 3.504 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.668 4.480 2.328 1.00 0.00 H new ATOM 0 HE ARG A 12 8.581 6.557 3.069 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.176 3.447 3.995 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.587 2.964 4.942 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.385 5.924 4.284 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.395 4.360 5.105 1.00 0.00 H new ATOM 205 N VAL A 13 3.584 7.102 -1.001 1.00 0.00 N ATOM 206 CA VAL A 13 3.536 7.269 -2.448 1.00 0.00 C ATOM 207 C VAL A 13 4.930 7.200 -3.066 1.00 0.00 C ATOM 208 O VAL A 13 5.160 6.461 -4.025 1.00 0.00 O ATOM 209 CB VAL A 13 2.884 8.611 -2.848 1.00 0.00 C ATOM 210 CG1 VAL A 13 1.391 8.588 -2.567 1.00 0.00 C ATOM 211 CG2 VAL A 13 3.545 9.776 -2.126 1.00 0.00 C ATOM 0 H VAL A 13 3.251 7.908 -0.472 1.00 0.00 H new ATOM 0 HA VAL A 13 2.929 6.448 -2.829 1.00 0.00 H new ATOM 0 HB VAL A 13 3.031 8.749 -3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.952 9.543 -2.856 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.925 7.786 -3.140 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.224 8.419 -1.503 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.067 10.708 -2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.439 9.644 -1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.603 9.811 -2.385 1.00 0.00 H new ATOM 221 N TYR A 14 5.852 7.988 -2.524 1.00 0.00 N ATOM 222 CA TYR A 14 7.221 8.035 -3.029 1.00 0.00 C ATOM 223 C TYR A 14 8.125 7.027 -2.322 1.00 0.00 C ATOM 224 O TYR A 14 9.343 7.197 -2.285 1.00 0.00 O ATOM 225 CB TYR A 14 7.776 9.452 -2.867 1.00 0.00 C ATOM 226 CG TYR A 14 6.753 10.522 -3.175 1.00 0.00 C ATOM 227 CD1 TYR A 14 6.126 10.573 -4.414 1.00 0.00 C ATOM 228 CD2 TYR A 14 6.399 11.470 -2.223 1.00 0.00 C ATOM 229 CE1 TYR A 14 5.178 11.538 -4.696 1.00 0.00 C ATOM 230 CE2 TYR A 14 5.454 12.439 -2.498 1.00 0.00 C ATOM 231 CZ TYR A 14 4.846 12.469 -3.735 1.00 0.00 C ATOM 232 OH TYR A 14 3.901 13.431 -4.011 1.00 0.00 O ATOM 0 H TYR A 14 5.676 8.606 -1.732 1.00 0.00 H new ATOM 0 HA TYR A 14 7.202 7.765 -4.085 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.135 9.582 -1.846 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.636 9.578 -3.525 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.384 9.846 -5.170 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.871 11.449 -1.252 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.700 11.563 -5.664 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.192 13.170 -1.747 1.00 0.00 H new ATOM 0 HH TYR A 14 3.783 14.008 -3.228 1.00 0.00 H new ATOM 242 N SER A 15 7.528 5.977 -1.763 1.00 0.00 N ATOM 243 CA SER A 15 8.294 4.951 -1.063 1.00 0.00 C ATOM 244 C SER A 15 9.302 4.293 -1.998 1.00 0.00 C ATOM 245 O SER A 15 9.248 4.475 -3.215 1.00 0.00 O ATOM 246 CB SER A 15 7.358 3.890 -0.481 1.00 0.00 C ATOM 247 OG SER A 15 7.852 3.395 0.751 1.00 0.00 O ATOM 0 H SER A 15 6.521 5.815 -1.781 1.00 0.00 H new ATOM 0 HA SER A 15 8.837 5.433 -0.250 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.366 4.317 -0.333 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.249 3.069 -1.189 1.00 0.00 H new ATOM 0 HG SER A 15 7.235 2.720 1.103 1.00 0.00 H new ATOM 253 N GLY A 16 10.220 3.523 -1.423 1.00 0.00 N ATOM 254 CA GLY A 16 11.225 2.847 -2.220 1.00 0.00 C ATOM 255 C GLY A 16 10.624 1.802 -3.139 1.00 0.00 C ATOM 256 O GLY A 16 9.728 2.103 -3.927 1.00 0.00 O ATOM 0 H GLY A 16 10.285 3.356 -0.419 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.768 3.581 -2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.951 2.372 -1.559 1.00 0.00 H new ATOM 260 N ARG A 17 11.116 0.573 -3.036 1.00 0.00 N ATOM 261 CA ARG A 17 10.618 -0.520 -3.863 1.00 0.00 C ATOM 262 C ARG A 17 9.134 -0.763 -3.599 1.00 0.00 C ATOM 263 O ARG A 17 8.601 -0.347 -2.571 1.00 0.00 O ATOM 264 CB ARG A 17 11.418 -1.797 -3.593 1.00 0.00 C ATOM 265 CG ARG A 17 12.158 -2.320 -4.814 1.00 0.00 C ATOM 266 CD ARG A 17 12.167 -3.840 -4.853 1.00 0.00 C ATOM 267 NE ARG A 17 12.578 -4.352 -6.158 1.00 0.00 N ATOM 268 CZ ARG A 17 12.365 -5.602 -6.563 1.00 0.00 C ATOM 269 NH1 ARG A 17 11.744 -6.468 -5.771 1.00 0.00 N ATOM 270 NH2 ARG A 17 12.772 -5.987 -7.765 1.00 0.00 N ATOM 0 H ARG A 17 11.859 0.308 -2.389 1.00 0.00 H new ATOM 0 HA ARG A 17 10.741 -0.242 -4.910 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.138 -1.604 -2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.741 -2.570 -3.230 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.687 -1.935 -5.718 1.00 0.00 H new ATOM 0 HG3 ARG A 17 13.183 -1.949 -4.806 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.843 -4.218 -4.086 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.172 -4.215 -4.614 1.00 0.00 H new ATOM 0 HE ARG A 17 13.056 -3.715 -6.796 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.427 -6.177 -4.846 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.584 -7.424 -6.087 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.248 -5.325 -8.378 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.609 -6.945 -8.076 1.00 0.00 H new ATOM 284 N SER A 18 8.474 -1.438 -4.534 1.00 0.00 N ATOM 285 CA SER A 18 7.052 -1.735 -4.400 1.00 0.00 C ATOM 286 C SER A 18 6.814 -2.764 -3.300 1.00 0.00 C ATOM 287 O SER A 18 7.754 -3.226 -2.653 1.00 0.00 O ATOM 288 CB SER A 18 6.490 -2.251 -5.726 1.00 0.00 C ATOM 289 OG SER A 18 6.595 -1.267 -6.741 1.00 0.00 O ATOM 0 H SER A 18 8.900 -1.789 -5.392 1.00 0.00 H new ATOM 0 HA SER A 18 6.537 -0.813 -4.129 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.029 -3.149 -6.028 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.446 -2.535 -5.596 1.00 0.00 H new ATOM 0 HG SER A 18 6.231 -1.621 -7.579 1.00 0.00 H new ATOM 295 N CYS A 19 5.551 -3.121 -3.094 1.00 0.00 N ATOM 296 CA CYS A 19 5.188 -4.096 -2.072 1.00 0.00 C ATOM 297 C CYS A 19 5.657 -5.493 -2.468 1.00 0.00 C ATOM 298 O CYS A 19 6.313 -5.670 -3.495 1.00 0.00 O ATOM 299 CB CYS A 19 3.674 -4.098 -1.854 1.00 0.00 C ATOM 300 SG CYS A 19 3.104 -2.931 -0.576 1.00 0.00 S ATOM 0 H CYS A 19 4.761 -2.750 -3.622 1.00 0.00 H new ATOM 0 HA CYS A 19 5.681 -3.814 -1.142 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.182 -3.857 -2.796 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.359 -5.104 -1.578 1.00 0.00 H new ATOM 305 N CYS A 20 5.318 -6.483 -1.649 1.00 0.00 N ATOM 306 CA CYS A 20 5.705 -7.863 -1.917 1.00 0.00 C ATOM 307 C CYS A 20 5.136 -8.335 -3.253 1.00 0.00 C ATOM 308 O CYS A 20 4.394 -7.608 -3.913 1.00 0.00 O ATOM 309 CB CYS A 20 5.221 -8.781 -0.792 1.00 0.00 C ATOM 310 SG CYS A 20 5.956 -8.415 0.834 1.00 0.00 S ATOM 0 H CYS A 20 4.776 -6.355 -0.794 1.00 0.00 H new ATOM 0 HA CYS A 20 6.793 -7.906 -1.967 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.137 -8.702 -0.715 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.448 -9.814 -1.057 1.00 0.00 H new ATOM 315 N PHE A 21 5.490 -9.554 -3.645 1.00 0.00 N ATOM 316 CA PHE A 21 5.015 -10.120 -4.902 1.00 0.00 C ATOM 317 C PHE A 21 3.502 -10.322 -4.869 1.00 0.00 C ATOM 318 O PHE A 21 2.987 -11.104 -4.068 1.00 0.00 O ATOM 319 CB PHE A 21 5.718 -11.450 -5.186 1.00 0.00 C ATOM 320 CG PHE A 21 6.432 -11.480 -6.507 1.00 0.00 C ATOM 321 CD1 PHE A 21 7.607 -10.766 -6.690 1.00 0.00 C ATOM 322 CD2 PHE A 21 5.930 -12.219 -7.566 1.00 0.00 C ATOM 323 CE1 PHE A 21 8.266 -10.791 -7.904 1.00 0.00 C ATOM 324 CE2 PHE A 21 6.585 -12.247 -8.782 1.00 0.00 C ATOM 325 CZ PHE A 21 7.754 -11.531 -8.951 1.00 0.00 C ATOM 0 H PHE A 21 6.104 -10.169 -3.111 1.00 0.00 H new ATOM 0 HA PHE A 21 5.251 -9.418 -5.702 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.435 -11.650 -4.390 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.982 -12.254 -5.161 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.011 -10.184 -5.875 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.016 -12.780 -7.439 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.181 -10.232 -8.034 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.184 -12.828 -9.599 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.267 -11.550 -9.901 1.00 0.00 H new ATOM 335 N GLY A 22 2.797 -9.612 -5.743 1.00 0.00 N ATOM 336 CA GLY A 22 1.351 -9.726 -5.797 1.00 0.00 C ATOM 337 C GLY A 22 0.648 -8.715 -4.908 1.00 0.00 C ATOM 338 O GLY A 22 -0.574 -8.759 -4.758 1.00 0.00 O ATOM 0 H GLY A 22 3.201 -8.960 -6.415 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.019 -9.591 -6.826 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.059 -10.732 -5.497 1.00 0.00 H new ATOM 342 N TYR A 23 1.416 -7.804 -4.317 1.00 0.00 N ATOM 343 CA TYR A 23 0.853 -6.783 -3.441 1.00 0.00 C ATOM 344 C TYR A 23 1.352 -5.397 -3.833 1.00 0.00 C ATOM 345 O TYR A 23 2.459 -5.248 -4.352 1.00 0.00 O ATOM 346 CB TYR A 23 1.217 -7.075 -1.984 1.00 0.00 C ATOM 347 CG TYR A 23 0.537 -8.304 -1.422 1.00 0.00 C ATOM 348 CD1 TYR A 23 0.792 -9.563 -1.948 1.00 0.00 C ATOM 349 CD2 TYR A 23 -0.360 -8.203 -0.366 1.00 0.00 C ATOM 350 CE1 TYR A 23 0.172 -10.689 -1.440 1.00 0.00 C ATOM 351 CE2 TYR A 23 -0.984 -9.324 0.149 1.00 0.00 C ATOM 352 CZ TYR A 23 -0.715 -10.564 -0.391 1.00 0.00 C ATOM 353 OH TYR A 23 -1.335 -11.681 0.118 1.00 0.00 O ATOM 0 H TYR A 23 2.429 -7.752 -4.429 1.00 0.00 H new ATOM 0 HA TYR A 23 -0.231 -6.804 -3.549 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.297 -7.201 -1.907 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.952 -6.212 -1.373 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.487 -9.664 -2.768 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.573 -7.233 0.059 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.381 -11.661 -1.862 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.679 -9.229 0.970 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.814 -12.029 0.872 1.00 0.00 H new ATOM 363 N TYR A 24 0.529 -4.382 -3.584 1.00 0.00 N ATOM 364 CA TYR A 24 0.890 -3.008 -3.914 1.00 0.00 C ATOM 365 C TYR A 24 0.566 -2.065 -2.760 1.00 0.00 C ATOM 366 O TYR A 24 0.001 -2.477 -1.747 1.00 0.00 O ATOM 367 CB TYR A 24 0.164 -2.552 -5.183 1.00 0.00 C ATOM 368 CG TYR A 24 -1.271 -3.023 -5.278 1.00 0.00 C ATOM 369 CD1 TYR A 24 -2.129 -2.943 -4.186 1.00 0.00 C ATOM 370 CD2 TYR A 24 -1.769 -3.548 -6.464 1.00 0.00 C ATOM 371 CE1 TYR A 24 -3.439 -3.373 -4.274 1.00 0.00 C ATOM 372 CE2 TYR A 24 -3.079 -3.979 -6.560 1.00 0.00 C ATOM 373 CZ TYR A 24 -3.909 -3.889 -5.463 1.00 0.00 C ATOM 374 OH TYR A 24 -5.213 -4.318 -5.555 1.00 0.00 O ATOM 0 H TYR A 24 -0.391 -4.486 -3.155 1.00 0.00 H new ATOM 0 HA TYR A 24 1.965 -2.978 -4.092 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.181 -1.463 -5.227 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.712 -2.915 -6.052 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.765 -2.538 -3.253 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.122 -3.621 -7.326 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.091 -3.305 -3.416 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.450 -4.384 -7.490 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.348 -5.084 -4.959 1.00 0.00 H new ATOM 384 N CYS A 25 0.928 -0.796 -2.921 1.00 0.00 N ATOM 385 CA CYS A 25 0.676 0.208 -1.894 1.00 0.00 C ATOM 386 C CYS A 25 -0.434 1.160 -2.328 1.00 0.00 C ATOM 387 O CYS A 25 -0.469 1.607 -3.475 1.00 0.00 O ATOM 388 CB CYS A 25 1.953 0.996 -1.597 1.00 0.00 C ATOM 389 SG CYS A 25 1.749 2.301 -0.342 1.00 0.00 S ATOM 0 H CYS A 25 1.397 -0.439 -3.753 1.00 0.00 H new ATOM 0 HA CYS A 25 0.357 -0.306 -0.987 1.00 0.00 H new ATOM 0 HB2 CYS A 25 2.725 0.303 -1.262 1.00 0.00 H new ATOM 0 HB3 CYS A 25 2.311 1.449 -2.522 1.00 0.00 H new ATOM 394 N ARG A 26 -1.339 1.466 -1.405 1.00 0.00 N ATOM 395 CA ARG A 26 -2.451 2.365 -1.692 1.00 0.00 C ATOM 396 C ARG A 26 -2.522 3.488 -0.663 1.00 0.00 C ATOM 397 O ARG A 26 -2.299 3.268 0.528 1.00 0.00 O ATOM 398 CB ARG A 26 -3.769 1.589 -1.710 1.00 0.00 C ATOM 399 CG ARG A 26 -3.815 0.493 -2.762 1.00 0.00 C ATOM 400 CD ARG A 26 -3.766 1.067 -4.170 1.00 0.00 C ATOM 401 NE ARG A 26 -2.804 0.362 -5.014 1.00 0.00 N ATOM 402 CZ ARG A 26 -2.678 0.567 -6.324 1.00 0.00 C ATOM 403 NH1 ARG A 26 -3.450 1.454 -6.942 1.00 0.00 N ATOM 404 NH2 ARG A 26 -1.778 -0.115 -7.018 1.00 0.00 N ATOM 0 H ARG A 26 -1.324 1.105 -0.451 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.284 2.807 -2.674 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.933 1.146 -0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.589 2.285 -1.887 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.976 -0.188 -2.616 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.726 -0.093 -2.639 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.757 1.007 -4.621 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.501 2.123 -4.122 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.194 -0.327 -4.575 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.144 1.982 -6.413 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.349 1.607 -7.945 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.182 -0.797 -6.549 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.682 0.042 -8.021 1.00 0.00 H new ATOM 418 N ARG A 27 -2.835 4.692 -1.129 1.00 0.00 N ATOM 419 CA ARG A 27 -2.935 5.851 -0.249 1.00 0.00 C ATOM 420 C ARG A 27 -4.158 5.741 0.656 1.00 0.00 C ATOM 421 O ARG A 27 -5.080 4.973 0.381 1.00 0.00 O ATOM 422 CB ARG A 27 -3.010 7.138 -1.073 1.00 0.00 C ATOM 423 CG ARG A 27 -1.649 7.695 -1.455 1.00 0.00 C ATOM 424 CD ARG A 27 -1.684 8.372 -2.817 1.00 0.00 C ATOM 425 NE ARG A 27 -1.538 9.822 -2.712 1.00 0.00 N ATOM 426 CZ ARG A 27 -1.357 10.626 -3.756 1.00 0.00 C ATOM 427 NH1 ARG A 27 -1.297 10.128 -4.985 1.00 0.00 N ATOM 428 NH2 ARG A 27 -1.234 11.934 -3.572 1.00 0.00 N ATOM 0 H ARG A 27 -3.024 4.891 -2.111 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.043 5.880 0.377 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.583 6.946 -1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.556 7.892 -0.505 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.323 8.411 -0.700 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.916 6.889 -1.467 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.885 7.972 -3.441 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.625 8.138 -3.314 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.577 10.242 -1.783 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.390 9.123 -5.133 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.158 10.750 -5.781 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.278 12.323 -2.630 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.095 12.551 -4.372 1.00 0.00 H new ATOM 442 N ASP A 28 -4.159 6.516 1.736 1.00 0.00 N ATOM 443 CA ASP A 28 -5.268 6.508 2.683 1.00 0.00 C ATOM 444 C ASP A 28 -6.513 7.137 2.068 1.00 0.00 C ATOM 445 O ASP A 28 -7.575 6.516 2.016 1.00 0.00 O ATOM 446 CB ASP A 28 -4.882 7.258 3.958 1.00 0.00 C ATOM 447 CG ASP A 28 -4.042 6.412 4.895 1.00 0.00 C ATOM 448 OD1 ASP A 28 -4.071 5.171 4.762 1.00 0.00 O ATOM 449 OD2 ASP A 28 -3.355 6.992 5.762 1.00 0.00 O ATOM 0 H ASP A 28 -3.404 7.158 1.977 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.492 5.471 2.933 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.329 8.159 3.693 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.786 7.579 4.475 1.00 0.00 H new ATOM 454 N PHE A 29 -6.376 8.374 1.605 1.00 0.00 N ATOM 455 CA PHE A 29 -7.489 9.092 0.995 1.00 0.00 C ATOM 456 C PHE A 29 -6.987 10.093 -0.043 1.00 0.00 C ATOM 457 O PHE A 29 -5.804 10.433 -0.065 1.00 0.00 O ATOM 458 CB PHE A 29 -8.310 9.816 2.067 1.00 0.00 C ATOM 459 CG PHE A 29 -7.478 10.387 3.183 1.00 0.00 C ATOM 460 CD1 PHE A 29 -6.635 11.462 2.957 1.00 0.00 C ATOM 461 CD2 PHE A 29 -7.542 9.845 4.457 1.00 0.00 C ATOM 462 CE1 PHE A 29 -5.870 11.988 3.980 1.00 0.00 C ATOM 463 CE2 PHE A 29 -6.779 10.367 5.485 1.00 0.00 C ATOM 464 CZ PHE A 29 -5.943 11.439 5.246 1.00 0.00 C ATOM 0 H PHE A 29 -5.504 8.901 1.640 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.126 8.364 0.493 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.874 10.622 1.597 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -9.037 9.121 2.487 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.575 11.894 1.969 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.195 9.006 4.649 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.216 12.827 3.791 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -6.837 9.937 6.474 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.346 11.848 6.048 1.00 0.00 H new ATOM 474 N PRO A 30 -7.883 10.582 -0.918 1.00 0.00 N ATOM 475 CA PRO A 30 -7.522 11.548 -1.961 1.00 0.00 C ATOM 476 C PRO A 30 -6.712 12.718 -1.414 1.00 0.00 C ATOM 477 O PRO A 30 -7.271 13.703 -0.931 1.00 0.00 O ATOM 478 CB PRO A 30 -8.879 12.029 -2.477 1.00 0.00 C ATOM 479 CG PRO A 30 -9.802 10.888 -2.225 1.00 0.00 C ATOM 480 CD PRO A 30 -9.316 10.230 -0.962 1.00 0.00 C ATOM 0 HA PRO A 30 -6.890 11.104 -2.730 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.207 12.927 -1.953 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.835 12.277 -3.538 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.829 11.235 -2.113 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.791 10.186 -3.059 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.847 10.602 -0.086 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.463 9.150 -0.990 1.00 0.00 H new ATOM 488 N GLY A 31 -5.389 12.602 -1.492 1.00 0.00 N ATOM 489 CA GLY A 31 -4.521 13.656 -1.001 1.00 0.00 C ATOM 490 C GLY A 31 -3.737 13.233 0.225 1.00 0.00 C ATOM 491 O GLY A 31 -3.572 14.013 1.164 1.00 0.00 O ATOM 0 H GLY A 31 -4.903 11.796 -1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.828 13.949 -1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.120 14.534 -0.761 1.00 0.00 H new ATOM 495 N SER A 32 -3.253 11.996 0.219 1.00 0.00 N ATOM 496 CA SER A 32 -2.483 11.469 1.339 1.00 0.00 C ATOM 497 C SER A 32 -1.016 11.290 0.959 1.00 0.00 C ATOM 498 O SER A 32 -0.663 11.312 -0.220 1.00 0.00 O ATOM 499 CB SER A 32 -3.066 10.133 1.802 1.00 0.00 C ATOM 500 OG SER A 32 -2.167 9.455 2.663 1.00 0.00 O ATOM 0 H SER A 32 -3.381 11.339 -0.550 1.00 0.00 H new ATOM 0 HA SER A 32 -2.542 12.188 2.156 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.010 10.304 2.319 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.286 9.509 0.936 1.00 0.00 H new ATOM 0 HG SER A 32 -1.932 8.587 2.273 1.00 0.00 H new ATOM 506 N ILE A 33 -0.167 11.114 1.966 1.00 0.00 N ATOM 507 CA ILE A 33 1.260 10.931 1.743 1.00 0.00 C ATOM 508 C ILE A 33 1.699 9.520 2.138 1.00 0.00 C ATOM 509 O ILE A 33 2.611 8.953 1.536 1.00 0.00 O ATOM 510 CB ILE A 33 2.085 11.981 2.524 1.00 0.00 C ATOM 511 CG1 ILE A 33 3.591 11.724 2.380 1.00 0.00 C ATOM 512 CG2 ILE A 33 1.679 11.995 3.992 1.00 0.00 C ATOM 513 CD1 ILE A 33 4.202 12.367 1.155 1.00 0.00 C ATOM 0 H ILE A 33 -0.445 11.094 2.947 1.00 0.00 H new ATOM 0 HA ILE A 33 1.446 11.068 0.678 1.00 0.00 H new ATOM 0 HB ILE A 33 1.872 12.961 2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.101 12.097 3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.765 10.649 2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.270 12.739 4.526 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.621 12.244 4.075 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.855 11.012 4.428 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.268 12.142 1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.719 11.976 0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.060 13.447 1.202 1.00 0.00 H new ATOM 525 N PHE A 34 1.041 8.955 3.147 1.00 0.00 N ATOM 526 CA PHE A 34 1.363 7.609 3.611 1.00 0.00 C ATOM 527 C PHE A 34 0.099 6.767 3.750 1.00 0.00 C ATOM 528 O PHE A 34 -0.882 7.200 4.352 1.00 0.00 O ATOM 529 CB PHE A 34 2.104 7.666 4.949 1.00 0.00 C ATOM 530 CG PHE A 34 3.544 8.079 4.823 1.00 0.00 C ATOM 531 CD1 PHE A 34 3.874 9.349 4.385 1.00 0.00 C ATOM 532 CD2 PHE A 34 4.565 7.197 5.140 1.00 0.00 C ATOM 533 CE1 PHE A 34 5.195 9.737 4.264 1.00 0.00 C ATOM 534 CE2 PHE A 34 5.888 7.579 5.021 1.00 0.00 C ATOM 535 CZ PHE A 34 6.204 8.849 4.583 1.00 0.00 C ATOM 0 H PHE A 34 0.283 9.408 3.658 1.00 0.00 H new ATOM 0 HA PHE A 34 2.011 7.142 2.869 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.591 8.365 5.609 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.056 6.686 5.423 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.089 10.047 4.134 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.325 6.202 5.483 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.438 10.732 3.921 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.675 6.883 5.271 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.238 9.148 4.490 1.00 0.00 H new ATOM 545 N GLY A 35 0.130 5.562 3.187 1.00 0.00 N ATOM 546 CA GLY A 35 -1.021 4.682 3.259 1.00 0.00 C ATOM 547 C GLY A 35 -0.657 3.286 3.726 1.00 0.00 C ATOM 548 O GLY A 35 0.305 3.104 4.473 1.00 0.00 O ATOM 0 H GLY A 35 0.931 5.181 2.683 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.758 5.108 3.939 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.490 4.622 2.277 1.00 0.00 H new ATOM 552 N THR A 36 -1.429 2.297 3.287 1.00 0.00 N ATOM 553 CA THR A 36 -1.188 0.911 3.663 1.00 0.00 C ATOM 554 C THR A 36 -1.027 0.030 2.428 1.00 0.00 C ATOM 555 O THR A 36 -1.419 0.414 1.325 1.00 0.00 O ATOM 556 CB THR A 36 -2.334 0.390 4.531 1.00 0.00 C ATOM 557 OG1 THR A 36 -2.518 1.216 5.667 1.00 0.00 O ATOM 558 CG2 THR A 36 -2.118 -1.025 5.023 1.00 0.00 C ATOM 0 H THR A 36 -2.229 2.432 2.669 1.00 0.00 H new ATOM 0 HA THR A 36 -0.261 0.873 4.236 1.00 0.00 H new ATOM 0 HB THR A 36 -3.213 0.403 3.886 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.256 0.867 6.209 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.968 -1.332 5.632 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.022 -1.696 4.170 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.208 -1.067 5.622 1.00 0.00 H new ATOM 566 N CYS A 37 -0.450 -1.151 2.620 1.00 0.00 N ATOM 567 CA CYS A 37 -0.238 -2.087 1.522 1.00 0.00 C ATOM 568 C CYS A 37 -1.376 -3.100 1.441 1.00 0.00 C ATOM 569 O CYS A 37 -1.844 -3.606 2.460 1.00 0.00 O ATOM 570 CB CYS A 37 1.096 -2.815 1.696 1.00 0.00 C ATOM 571 SG CYS A 37 1.544 -3.893 0.297 1.00 0.00 S ATOM 0 H CYS A 37 -0.120 -1.483 3.526 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.216 -1.518 0.593 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.885 -2.076 1.839 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.054 -3.416 2.605 1.00 0.00 H new ATOM 576 N SER A 38 -1.816 -3.390 0.220 1.00 0.00 N ATOM 577 CA SER A 38 -2.900 -4.343 0.005 1.00 0.00 C ATOM 578 C SER A 38 -2.515 -5.376 -1.049 1.00 0.00 C ATOM 579 O SER A 38 -1.521 -5.213 -1.758 1.00 0.00 O ATOM 580 CB SER A 38 -4.173 -3.611 -0.424 1.00 0.00 C ATOM 581 OG SER A 38 -4.693 -2.828 0.636 1.00 0.00 O ATOM 0 H SER A 38 -1.439 -2.979 -0.634 1.00 0.00 H new ATOM 0 HA SER A 38 -3.086 -4.861 0.946 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.958 -2.972 -1.280 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.921 -4.335 -0.747 1.00 0.00 H new ATOM 0 HG SER A 38 -5.505 -2.369 0.336 1.00 0.00 H new ATOM 587 N ARG A 39 -3.307 -6.438 -1.146 1.00 0.00 N ATOM 588 CA ARG A 39 -3.050 -7.498 -2.115 1.00 0.00 C ATOM 589 C ARG A 39 -3.569 -7.111 -3.497 1.00 0.00 C ATOM 590 O ARG A 39 -4.516 -6.334 -3.618 1.00 0.00 O ATOM 591 CB ARG A 39 -3.703 -8.805 -1.659 1.00 0.00 C ATOM 592 CG ARG A 39 -5.217 -8.721 -1.545 1.00 0.00 C ATOM 593 CD ARG A 39 -5.685 -8.959 -0.118 1.00 0.00 C ATOM 594 NE ARG A 39 -5.496 -10.347 0.296 1.00 0.00 N ATOM 595 CZ ARG A 39 -6.314 -11.342 -0.044 1.00 0.00 C ATOM 596 NH1 ARG A 39 -7.377 -11.105 -0.801 1.00 0.00 N ATOM 597 NH2 ARG A 39 -6.067 -12.575 0.374 1.00 0.00 N ATOM 0 H ARG A 39 -4.132 -6.588 -0.566 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.972 -7.642 -2.180 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.443 -9.596 -2.362 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.289 -9.090 -0.692 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.554 -7.740 -1.880 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.674 -9.458 -2.206 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.138 -8.302 0.557 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.739 -8.696 -0.034 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.690 -10.568 0.880 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.571 -10.158 -1.125 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.000 -11.870 -1.059 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.251 -12.762 0.956 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.693 -13.337 0.114 1.00 0.00 H new ATOM 611 N ARG A 40 -2.942 -7.656 -4.532 1.00 0.00 N ATOM 612 CA ARG A 40 -3.339 -7.366 -5.905 1.00 0.00 C ATOM 613 C ARG A 40 -4.523 -8.231 -6.325 1.00 0.00 C ATOM 614 O ARG A 40 -4.674 -9.361 -5.861 1.00 0.00 O ATOM 615 CB ARG A 40 -2.164 -7.592 -6.858 1.00 0.00 C ATOM 616 CG ARG A 40 -2.251 -6.773 -8.137 1.00 0.00 C ATOM 617 CD ARG A 40 -2.164 -7.654 -9.373 1.00 0.00 C ATOM 618 NE ARG A 40 -1.407 -7.018 -10.447 1.00 0.00 N ATOM 619 CZ ARG A 40 -1.097 -7.619 -11.593 1.00 0.00 C ATOM 620 NH1 ARG A 40 -1.477 -8.871 -11.817 1.00 0.00 N ATOM 621 NH2 ARG A 40 -0.406 -6.968 -12.518 1.00 0.00 N ATOM 0 H ARG A 40 -2.157 -8.301 -4.447 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.641 -6.320 -5.954 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.236 -7.347 -6.342 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.115 -8.650 -7.116 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.189 -6.217 -8.151 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.445 -6.039 -8.155 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.694 -8.602 -9.110 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.169 -7.884 -9.725 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.097 -6.056 -10.311 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.009 -9.377 -11.109 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.237 -9.327 -12.697 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.112 -6.006 -12.352 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.169 -7.429 -13.396 1.00 0.00 H new ATOM 635 N ASN A 41 -5.361 -7.692 -7.204 1.00 0.00 N ATOM 636 CA ASN A 41 -6.532 -8.413 -7.686 1.00 0.00 C ATOM 637 C ASN A 41 -7.197 -7.661 -8.836 1.00 0.00 C ATOM 638 O ASN A 41 -8.231 -7.018 -8.654 1.00 0.00 O ATOM 639 CB ASN A 41 -7.534 -8.622 -6.549 1.00 0.00 C ATOM 640 CG ASN A 41 -8.423 -9.829 -6.776 1.00 0.00 C ATOM 641 OD1 ASN A 41 -7.965 -10.970 -6.727 1.00 0.00 O ATOM 642 ND2 ASN A 41 -9.704 -9.581 -7.026 1.00 0.00 N ATOM 0 H ASN A 41 -5.250 -6.757 -7.597 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.204 -9.386 -8.053 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.994 -8.744 -5.610 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.154 -7.732 -6.447 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.351 -10.353 -7.187 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.041 -8.619 -7.057 1.00 0.00 H new ATOM 649 N PHE A 42 -6.597 -7.748 -10.019 1.00 0.00 N ATOM 650 CA PHE A 42 -7.131 -7.076 -11.198 1.00 0.00 C ATOM 651 C PHE A 42 -7.549 -8.090 -12.259 1.00 0.00 C ATOM 652 O PHE A 42 -7.705 -9.280 -11.910 1.00 0.00 O ATOM 653 CB PHE A 42 -6.090 -6.112 -11.774 1.00 0.00 C ATOM 654 CG PHE A 42 -6.532 -4.677 -11.764 1.00 0.00 C ATOM 655 CD1 PHE A 42 -7.110 -4.124 -10.632 1.00 0.00 C ATOM 656 CD2 PHE A 42 -6.369 -3.880 -12.886 1.00 0.00 C ATOM 657 CE1 PHE A 42 -7.518 -2.804 -10.619 1.00 0.00 C ATOM 658 CE2 PHE A 42 -6.775 -2.558 -12.879 1.00 0.00 C ATOM 659 CZ PHE A 42 -7.351 -2.020 -11.745 1.00 0.00 C ATOM 660 OXT PHE A 42 -7.719 -7.686 -13.428 1.00 0.00 O ATOM 0 H PHE A 42 -5.741 -8.277 -10.186 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.013 -6.510 -10.898 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.166 -6.203 -11.202 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.861 -6.406 -12.798 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.243 -4.732 -9.750 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.920 -4.296 -13.776 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.967 -2.385 -9.730 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.642 -1.947 -13.759 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.670 -0.988 -11.738 1.00 0.00 H new TER 670 PHE A 42