USER MOD reduce.3.24.130724 H: found=0, std=0, add=284, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 284 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 5 GLN : amide:sc= 0.598 K(o=0.6,f=-0.029) USER MOD Single : A 8 THR OG1 : rot -34:sc= 0.00314 USER MOD Single : A 9 SER OG : rot 180:sc=0.000734 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0424 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0494 K(o=-0.049,f=-0.76) USER MOD Single : A 18 ASN : amide:sc= -0.012 X(o=-0.012,f=-0.18) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : B 5 HIS : no HE2:sc= 0.353 K(o=0.35,f=-1.6!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N ILE A 2 3.313 1.127 -4.503 1.00 0.00 N ATOM 11 CA ILE A 2 4.377 0.556 -5.354 1.00 0.00 C ATOM 12 C ILE A 2 5.266 1.624 -6.012 1.00 0.00 C ATOM 13 O ILE A 2 6.484 1.472 -6.051 1.00 0.00 O ATOM 14 CB ILE A 2 3.754 -0.420 -6.382 1.00 0.00 C ATOM 15 CG1 ILE A 2 4.794 -1.191 -7.212 1.00 0.00 C ATOM 16 CG2 ILE A 2 2.840 0.308 -7.378 1.00 0.00 C ATOM 17 CD1 ILE A 2 5.599 -2.253 -6.490 1.00 0.00 C ATOM 0 HA ILE A 2 5.055 -0.006 -4.711 1.00 0.00 H new ATOM 0 HB ILE A 2 3.190 -1.124 -5.770 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.277 -1.666 -8.046 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.491 -0.469 -7.638 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.423 -0.412 -8.082 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.030 0.798 -6.838 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.417 1.055 -7.922 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.294 -2.720 -7.188 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.157 -1.794 -5.674 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.925 -3.010 -6.088 1.00 0.00 H new ATOM 29 N VAL A 3 4.687 2.734 -6.483 1.00 0.00 N ATOM 30 CA VAL A 3 5.418 3.811 -7.180 1.00 0.00 C ATOM 31 C VAL A 3 6.379 4.533 -6.222 1.00 0.00 C ATOM 32 O VAL A 3 7.503 4.873 -6.589 1.00 0.00 O ATOM 33 CB VAL A 3 4.426 4.807 -7.821 1.00 0.00 C ATOM 34 CG1 VAL A 3 5.135 5.865 -8.674 1.00 0.00 C ATOM 35 CG2 VAL A 3 3.421 4.095 -8.739 1.00 0.00 C ATOM 0 H VAL A 3 3.688 2.917 -6.393 1.00 0.00 H new ATOM 0 HA VAL A 3 6.015 3.362 -7.974 1.00 0.00 H new ATOM 0 HB VAL A 3 3.915 5.281 -6.983 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.396 6.542 -9.103 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.827 6.431 -8.050 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.687 5.375 -9.476 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.740 4.828 -9.171 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.957 3.583 -9.538 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.851 3.368 -8.160 1.00 0.00 H new ATOM 45 N GLU A 4 5.969 4.676 -4.960 1.00 0.00 N ATOM 46 CA GLU A 4 6.714 5.312 -3.866 1.00 0.00 C ATOM 47 C GLU A 4 7.829 4.415 -3.289 1.00 0.00 C ATOM 48 O GLU A 4 8.518 4.803 -2.344 1.00 0.00 O ATOM 49 CB GLU A 4 5.737 5.732 -2.753 1.00 0.00 C ATOM 50 CG GLU A 4 4.603 6.657 -3.221 1.00 0.00 C ATOM 51 CD GLU A 4 3.588 6.868 -2.084 1.00 0.00 C ATOM 52 OE1 GLU A 4 2.781 5.938 -1.833 1.00 0.00 O ATOM 53 OE2 GLU A 4 3.602 7.939 -1.431 1.00 0.00 O ATOM 0 H GLU A 4 5.058 4.333 -4.655 1.00 0.00 H new ATOM 0 HA GLU A 4 7.210 6.189 -4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.300 4.836 -2.312 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.297 6.234 -1.965 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.013 7.617 -3.536 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.104 6.224 -4.088 1.00 0.00 H new ATOM 60 N GLN A 5 8.020 3.212 -3.843 1.00 0.00 N ATOM 61 CA GLN A 5 9.109 2.289 -3.511 1.00 0.00 C ATOM 62 C GLN A 5 9.951 1.926 -4.739 1.00 0.00 C ATOM 63 O GLN A 5 11.174 1.996 -4.670 1.00 0.00 O ATOM 64 CB GLN A 5 8.530 1.028 -2.839 1.00 0.00 C ATOM 65 CG GLN A 5 7.928 1.280 -1.448 1.00 0.00 C ATOM 66 CD GLN A 5 8.969 1.668 -0.397 1.00 0.00 C ATOM 67 OE1 GLN A 5 9.506 0.836 0.321 1.00 0.00 O ATOM 68 NE2 GLN A 5 9.300 2.938 -0.260 1.00 0.00 N ATOM 0 H GLN A 5 7.397 2.842 -4.561 1.00 0.00 H new ATOM 0 HA GLN A 5 9.780 2.790 -2.813 1.00 0.00 H new ATOM 0 HB2 GLN A 5 7.761 0.606 -3.485 1.00 0.00 H new ATOM 0 HB3 GLN A 5 9.319 0.281 -2.752 1.00 0.00 H new ATOM 0 HG2 GLN A 5 7.183 2.072 -1.521 1.00 0.00 H new ATOM 0 HG3 GLN A 5 7.406 0.382 -1.118 1.00 0.00 H new ATOM 0 HE21 GLN A 5 8.862 3.646 -0.850 1.00 0.00 H new ATOM 0 HE22 GLN A 5 9.993 3.212 0.436 1.00 0.00 H new ATOM 77 N CYS A 6 9.320 1.563 -5.858 1.00 0.00 N ATOM 78 CA CYS A 6 9.997 1.050 -7.053 1.00 0.00 C ATOM 79 C CYS A 6 10.385 2.125 -8.083 1.00 0.00 C ATOM 80 O CYS A 6 11.447 2.017 -8.693 1.00 0.00 O ATOM 81 CB CYS A 6 9.106 -0.029 -7.682 1.00 0.00 C ATOM 82 SG CYS A 6 8.967 -1.566 -6.731 1.00 0.00 S ATOM 0 H CYS A 6 8.307 1.618 -5.962 1.00 0.00 H new ATOM 0 HA CYS A 6 10.952 0.633 -6.734 1.00 0.00 H new ATOM 0 HB2 CYS A 6 8.107 0.384 -7.823 1.00 0.00 H new ATOM 0 HB3 CYS A 6 9.495 -0.267 -8.672 1.00 0.00 H new ATOM 87 N CYS A 7 9.563 3.163 -8.290 1.00 0.00 N ATOM 88 CA CYS A 7 9.858 4.187 -9.301 1.00 0.00 C ATOM 89 C CYS A 7 10.813 5.266 -8.754 1.00 0.00 C ATOM 90 O CYS A 7 11.832 5.586 -9.372 1.00 0.00 O ATOM 91 CB CYS A 7 8.543 4.782 -9.823 1.00 0.00 C ATOM 92 SG CYS A 7 8.731 5.845 -11.281 1.00 0.00 S ATOM 0 H CYS A 7 8.696 3.315 -7.775 1.00 0.00 H new ATOM 0 HA CYS A 7 10.379 3.722 -10.138 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.861 3.968 -10.067 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.077 5.359 -9.025 1.00 0.00 H new ATOM 97 N THR A 8 10.508 5.800 -7.564 1.00 0.00 N ATOM 98 CA THR A 8 11.258 6.902 -6.927 1.00 0.00 C ATOM 99 C THR A 8 12.533 6.449 -6.193 1.00 0.00 C ATOM 100 O THR A 8 13.410 7.266 -5.912 1.00 0.00 O ATOM 101 CB THR A 8 10.312 7.690 -5.997 1.00 0.00 C ATOM 102 OG1 THR A 8 10.830 8.960 -5.664 1.00 0.00 O ATOM 103 CG2 THR A 8 9.995 6.962 -4.688 1.00 0.00 C ATOM 0 H THR A 8 9.720 5.476 -7.003 1.00 0.00 H new ATOM 0 HA THR A 8 11.618 7.553 -7.724 1.00 0.00 H new ATOM 0 HB THR A 8 9.394 7.793 -6.576 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.807 8.908 -5.600 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.325 7.574 -4.084 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.515 6.009 -4.909 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.919 6.784 -4.138 1.00 0.00 H new ATOM 111 N SER A 9 12.662 5.150 -5.900 1.00 0.00 N ATOM 112 CA SER A 9 13.787 4.540 -5.172 1.00 0.00 C ATOM 113 C SER A 9 14.049 3.099 -5.638 1.00 0.00 C ATOM 114 O SER A 9 13.429 2.618 -6.586 1.00 0.00 O ATOM 115 CB SER A 9 13.489 4.592 -3.666 1.00 0.00 C ATOM 116 OG SER A 9 14.679 4.390 -2.913 1.00 0.00 O ATOM 0 H SER A 9 11.958 4.465 -6.174 1.00 0.00 H new ATOM 0 HA SER A 9 14.695 5.104 -5.383 1.00 0.00 H new ATOM 0 HB2 SER A 9 13.049 5.556 -3.410 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.755 3.828 -3.408 1.00 0.00 H new ATOM 0 HG SER A 9 14.471 4.428 -1.956 1.00 0.00 H new ATOM 122 N ILE A 10 14.976 2.393 -4.983 1.00 0.00 N ATOM 123 CA ILE A 10 15.188 0.949 -5.157 1.00 0.00 C ATOM 124 C ILE A 10 14.108 0.172 -4.382 1.00 0.00 C ATOM 125 O ILE A 10 13.800 0.503 -3.234 1.00 0.00 O ATOM 126 CB ILE A 10 16.622 0.553 -4.725 1.00 0.00 C ATOM 127 CG1 ILE A 10 17.636 1.144 -5.734 1.00 0.00 C ATOM 128 CG2 ILE A 10 16.774 -0.975 -4.604 1.00 0.00 C ATOM 129 CD1 ILE A 10 19.109 0.871 -5.408 1.00 0.00 C ATOM 0 H ILE A 10 15.612 2.814 -4.305 1.00 0.00 H new ATOM 0 HA ILE A 10 15.094 0.689 -6.211 1.00 0.00 H new ATOM 0 HB ILE A 10 16.822 0.965 -3.736 1.00 0.00 H new ATOM 0 HG12 ILE A 10 17.418 0.742 -6.723 1.00 0.00 H new ATOM 0 HG13 ILE A 10 17.485 2.222 -5.788 1.00 0.00 H new ATOM 0 HG21 ILE A 10 17.792 -1.216 -4.299 1.00 0.00 H new ATOM 0 HG22 ILE A 10 16.073 -1.353 -3.859 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.564 -1.439 -5.568 1.00 0.00 H new ATOM 0 HD11 ILE A 10 19.741 1.324 -6.172 1.00 0.00 H new ATOM 0 HD12 ILE A 10 19.352 1.299 -4.435 1.00 0.00 H new ATOM 0 HD13 ILE A 10 19.283 -0.205 -5.385 1.00 0.00 H new ATOM 141 N CYS A 11 13.586 -0.902 -4.983 1.00 0.00 N ATOM 142 CA CYS A 11 12.708 -1.874 -4.327 1.00 0.00 C ATOM 143 C CYS A 11 13.207 -3.319 -4.506 1.00 0.00 C ATOM 144 O CYS A 11 14.122 -3.593 -5.289 1.00 0.00 O ATOM 145 CB CYS A 11 11.266 -1.666 -4.801 1.00 0.00 C ATOM 146 SG CYS A 11 10.877 -2.226 -6.478 1.00 0.00 S ATOM 0 H CYS A 11 13.767 -1.124 -5.962 1.00 0.00 H new ATOM 0 HA CYS A 11 12.730 -1.702 -3.251 1.00 0.00 H new ATOM 0 HB2 CYS A 11 10.601 -2.181 -4.107 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.035 -0.603 -4.734 1.00 0.00 H new ATOM 151 N SER A 12 12.613 -4.243 -3.747 1.00 0.00 N ATOM 152 CA SER A 12 12.980 -5.664 -3.715 1.00 0.00 C ATOM 153 C SER A 12 11.749 -6.561 -3.562 1.00 0.00 C ATOM 154 O SER A 12 10.656 -6.085 -3.254 1.00 0.00 O ATOM 155 CB SER A 12 13.947 -5.914 -2.549 1.00 0.00 C ATOM 156 OG SER A 12 14.553 -7.194 -2.665 1.00 0.00 O ATOM 0 H SER A 12 11.841 -4.018 -3.119 1.00 0.00 H new ATOM 0 HA SER A 12 13.460 -5.912 -4.662 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.716 -5.142 -2.536 1.00 0.00 H new ATOM 0 HB3 SER A 12 13.410 -5.845 -1.603 1.00 0.00 H new ATOM 0 HG SER A 12 15.167 -7.335 -1.914 1.00 0.00 H new ATOM 162 N LEU A 13 11.953 -7.872 -3.690 1.00 0.00 N ATOM 163 CA LEU A 13 11.016 -8.960 -3.386 1.00 0.00 C ATOM 164 C LEU A 13 10.233 -8.701 -2.087 1.00 0.00 C ATOM 165 O LEU A 13 9.014 -8.859 -2.049 1.00 0.00 O ATOM 166 CB LEU A 13 11.880 -10.237 -3.267 1.00 0.00 C ATOM 167 CG LEU A 13 11.150 -11.511 -2.801 1.00 0.00 C ATOM 168 CD1 LEU A 13 10.109 -11.967 -3.820 1.00 0.00 C ATOM 169 CD2 LEU A 13 12.157 -12.644 -2.606 1.00 0.00 C ATOM 0 H LEU A 13 12.843 -8.231 -4.035 1.00 0.00 H new ATOM 0 HA LEU A 13 10.262 -9.052 -4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.332 -10.437 -4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.695 -10.036 -2.572 1.00 0.00 H new ATOM 0 HG LEU A 13 10.648 -11.274 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.615 -12.868 -3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.369 -11.179 -3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.599 -12.180 -4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.635 -13.542 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.665 -12.845 -3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.890 -12.354 -1.853 1.00 0.00 H new ATOM 181 N TYR A 14 10.933 -8.236 -1.047 1.00 0.00 N ATOM 182 CA TYR A 14 10.380 -8.028 0.298 1.00 0.00 C ATOM 183 C TYR A 14 9.399 -6.842 0.394 1.00 0.00 C ATOM 184 O TYR A 14 8.648 -6.739 1.366 1.00 0.00 O ATOM 185 CB TYR A 14 11.542 -7.898 1.295 1.00 0.00 C ATOM 186 CG TYR A 14 12.543 -9.036 1.195 1.00 0.00 C ATOM 187 CD1 TYR A 14 12.171 -10.338 1.596 1.00 0.00 C ATOM 188 CD2 TYR A 14 13.819 -8.810 0.639 1.00 0.00 C ATOM 189 CE1 TYR A 14 13.073 -11.411 1.439 1.00 0.00 C ATOM 190 CE2 TYR A 14 14.719 -9.881 0.483 1.00 0.00 C ATOM 191 CZ TYR A 14 14.349 -11.187 0.874 1.00 0.00 C ATOM 192 OH TYR A 14 15.226 -12.217 0.716 1.00 0.00 O ATOM 0 H TYR A 14 11.920 -7.988 -1.117 1.00 0.00 H new ATOM 0 HA TYR A 14 9.773 -8.898 0.548 1.00 0.00 H new ATOM 0 HB2 TYR A 14 12.057 -6.953 1.122 1.00 0.00 H new ATOM 0 HB3 TYR A 14 11.141 -7.862 2.308 1.00 0.00 H new ATOM 0 HD1 TYR A 14 11.195 -10.512 2.023 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.106 -7.815 0.333 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.788 -12.405 1.751 1.00 0.00 H new ATOM 0 HE2 TYR A 14 15.698 -9.703 0.062 1.00 0.00 H new ATOM 0 HH TYR A 14 16.054 -11.883 0.312 1.00 0.00 H new ATOM 202 N GLN A 15 9.377 -5.973 -0.625 1.00 0.00 N ATOM 203 CA GLN A 15 8.365 -4.926 -0.805 1.00 0.00 C ATOM 204 C GLN A 15 7.341 -5.323 -1.878 1.00 0.00 C ATOM 205 O GLN A 15 6.143 -5.119 -1.693 1.00 0.00 O ATOM 206 CB GLN A 15 9.036 -3.590 -1.161 1.00 0.00 C ATOM 207 CG GLN A 15 9.961 -3.046 -0.055 1.00 0.00 C ATOM 208 CD GLN A 15 9.246 -2.669 1.247 1.00 0.00 C ATOM 209 OE1 GLN A 15 8.028 -2.614 1.356 1.00 0.00 O ATOM 210 NE2 GLN A 15 9.986 -2.390 2.302 1.00 0.00 N ATOM 0 H GLN A 15 10.080 -5.979 -1.364 1.00 0.00 H new ATOM 0 HA GLN A 15 7.829 -4.806 0.137 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.614 -3.717 -2.076 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.263 -2.851 -1.372 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.720 -3.796 0.167 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.482 -2.168 -0.435 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.003 -2.429 2.236 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.541 -2.135 3.184 1.00 0.00 H new ATOM 219 N LEU A 16 7.790 -5.946 -2.974 1.00 0.00 N ATOM 220 CA LEU A 16 6.952 -6.369 -4.099 1.00 0.00 C ATOM 221 C LEU A 16 5.844 -7.357 -3.685 1.00 0.00 C ATOM 222 O LEU A 16 4.699 -7.210 -4.115 1.00 0.00 O ATOM 223 CB LEU A 16 7.873 -6.940 -5.195 1.00 0.00 C ATOM 224 CG LEU A 16 8.674 -5.878 -5.968 1.00 0.00 C ATOM 225 CD1 LEU A 16 9.782 -6.514 -6.800 1.00 0.00 C ATOM 226 CD2 LEU A 16 7.779 -5.117 -6.938 1.00 0.00 C ATOM 0 H LEU A 16 8.775 -6.176 -3.105 1.00 0.00 H new ATOM 0 HA LEU A 16 6.413 -5.505 -4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.570 -7.642 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.268 -7.507 -5.902 1.00 0.00 H new ATOM 0 HG LEU A 16 9.094 -5.208 -5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 16 10.329 -5.736 -7.333 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.466 -7.053 -6.144 1.00 0.00 H new ATOM 0 HD13 LEU A 16 9.345 -7.208 -7.518 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.370 -4.373 -7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.342 -5.814 -7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.983 -4.619 -6.384 1.00 0.00 H new ATOM 238 N GLU A 17 6.124 -8.305 -2.783 1.00 0.00 N ATOM 239 CA GLU A 17 5.114 -9.237 -2.253 1.00 0.00 C ATOM 240 C GLU A 17 3.962 -8.556 -1.482 1.00 0.00 C ATOM 241 O GLU A 17 2.888 -9.147 -1.348 1.00 0.00 O ATOM 242 CB GLU A 17 5.783 -10.277 -1.342 1.00 0.00 C ATOM 243 CG GLU A 17 6.600 -11.287 -2.146 1.00 0.00 C ATOM 244 CD GLU A 17 7.076 -12.457 -1.261 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.982 -12.261 -0.412 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.547 -13.586 -1.402 1.00 0.00 O ATOM 0 H GLU A 17 7.057 -8.450 -2.398 1.00 0.00 H new ATOM 0 HA GLU A 17 4.666 -9.710 -3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.431 -9.771 -0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.020 -10.801 -0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.997 -11.673 -2.968 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.463 -10.789 -2.589 1.00 0.00 H new ATOM 253 N ASN A 18 4.138 -7.313 -1.012 1.00 0.00 N ATOM 254 CA ASN A 18 3.107 -6.575 -0.270 1.00 0.00 C ATOM 255 C ASN A 18 1.979 -6.030 -1.174 1.00 0.00 C ATOM 256 O ASN A 18 0.978 -5.525 -0.660 1.00 0.00 O ATOM 257 CB ASN A 18 3.770 -5.453 0.558 1.00 0.00 C ATOM 258 CG ASN A 18 4.830 -5.943 1.533 1.00 0.00 C ATOM 259 OD1 ASN A 18 4.805 -7.060 2.032 1.00 0.00 O ATOM 260 ND2 ASN A 18 5.795 -5.114 1.860 1.00 0.00 N ATOM 0 H ASN A 18 5.004 -6.789 -1.137 1.00 0.00 H new ATOM 0 HA ASN A 18 2.619 -7.278 0.405 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.224 -4.733 -0.123 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.998 -4.922 1.115 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.513 -5.404 2.524 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.826 -4.180 1.450 1.00 0.00 H new ATOM 267 N TYR A 19 2.123 -6.140 -2.501 1.00 0.00 N ATOM 268 CA TYR A 19 1.190 -5.583 -3.490 1.00 0.00 C ATOM 269 C TYR A 19 0.446 -6.653 -4.315 1.00 0.00 C ATOM 270 O TYR A 19 -0.366 -6.312 -5.177 1.00 0.00 O ATOM 271 CB TYR A 19 1.953 -4.588 -4.380 1.00 0.00 C ATOM 272 CG TYR A 19 2.734 -3.525 -3.625 1.00 0.00 C ATOM 273 CD1 TYR A 19 2.083 -2.632 -2.754 1.00 0.00 C ATOM 274 CD2 TYR A 19 4.125 -3.442 -3.800 1.00 0.00 C ATOM 275 CE1 TYR A 19 2.830 -1.677 -2.039 1.00 0.00 C ATOM 276 CE2 TYR A 19 4.876 -2.476 -3.108 1.00 0.00 C ATOM 277 CZ TYR A 19 4.231 -1.598 -2.212 1.00 0.00 C ATOM 278 OH TYR A 19 4.960 -0.682 -1.521 1.00 0.00 O ATOM 0 H TYR A 19 2.910 -6.630 -2.927 1.00 0.00 H new ATOM 0 HA TYR A 19 0.397 -5.063 -2.952 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.644 -5.145 -5.013 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.241 -4.094 -5.042 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.011 -2.679 -2.634 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.622 -4.126 -4.472 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.332 -1.003 -1.357 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.943 -2.406 -3.262 1.00 0.00 H new ATOM 0 HH TYR A 19 4.527 -0.501 -0.661 1.00 0.00 H new ATOM 288 N CYS A 20 0.684 -7.944 -4.063 1.00 0.00 N ATOM 289 CA CYS A 20 0.035 -9.037 -4.791 1.00 0.00 C ATOM 290 C CYS A 20 -1.455 -9.228 -4.431 1.00 0.00 C ATOM 291 O CYS A 20 -1.916 -8.831 -3.356 1.00 0.00 O ATOM 292 CB CYS A 20 0.813 -10.342 -4.599 1.00 0.00 C ATOM 293 SG CYS A 20 2.557 -10.266 -5.083 1.00 0.00 S ATOM 0 H CYS A 20 1.335 -8.261 -3.345 1.00 0.00 H new ATOM 0 HA CYS A 20 0.052 -8.754 -5.844 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.754 -10.633 -3.550 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.325 -11.128 -5.175 1.00 0.00 H new ATOM 383 N HIS B 5 15.983 0.605 -9.526 1.00 0.00 N ATOM 384 CA HIS B 5 14.693 1.251 -9.793 1.00 0.00 C ATOM 385 C HIS B 5 13.924 0.450 -10.859 1.00 0.00 C ATOM 386 O HIS B 5 14.519 -0.144 -11.765 1.00 0.00 O ATOM 387 CB HIS B 5 14.883 2.697 -10.277 1.00 0.00 C ATOM 388 CG HIS B 5 15.321 3.684 -9.222 1.00 0.00 C ATOM 389 ND1 HIS B 5 14.694 4.872 -8.916 1.00 0.00 N ATOM 390 CD2 HIS B 5 16.449 3.619 -8.450 1.00 0.00 C ATOM 391 CE1 HIS B 5 15.440 5.518 -8.006 1.00 0.00 C ATOM 392 NE2 HIS B 5 16.520 4.784 -7.677 1.00 0.00 N ATOM 0 HA HIS B 5 14.126 1.273 -8.863 1.00 0.00 H new ATOM 0 HB2 HIS B 5 15.620 2.699 -11.080 1.00 0.00 H new ATOM 0 HB3 HIS B 5 13.943 3.044 -10.707 1.00 0.00 H new ATOM 0 HD1 HIS B 5 13.815 5.203 -9.313 1.00 0.00 H new ATOM 0 HD2 HIS B 5 17.162 2.808 -8.439 1.00 0.00 H new ATOM 0 HE1 HIS B 5 15.207 6.489 -7.596 1.00 0.00 H new ATOM 400 N LEU B 6 12.597 0.454 -10.758 1.00 0.00 N ATOM 401 CA LEU B 6 11.650 -0.190 -11.673 1.00 0.00 C ATOM 402 C LEU B 6 10.414 0.714 -11.811 1.00 0.00 C ATOM 403 O LEU B 6 9.696 0.934 -10.836 1.00 0.00 O ATOM 404 CB LEU B 6 11.244 -1.568 -11.106 1.00 0.00 C ATOM 405 CG LEU B 6 12.372 -2.600 -10.947 1.00 0.00 C ATOM 406 CD1 LEU B 6 11.858 -3.765 -10.110 1.00 0.00 C ATOM 407 CD2 LEU B 6 12.859 -3.148 -12.288 1.00 0.00 C ATOM 0 H LEU B 6 12.124 0.934 -9.992 1.00 0.00 H new ATOM 0 HA LEU B 6 12.107 -0.337 -12.652 1.00 0.00 H new ATOM 0 HB2 LEU B 6 10.782 -1.414 -10.131 1.00 0.00 H new ATOM 0 HB3 LEU B 6 10.480 -1.994 -11.757 1.00 0.00 H new ATOM 0 HG LEU B 6 13.211 -2.097 -10.466 1.00 0.00 H new ATOM 0 HD11 LEU B 6 12.650 -4.504 -9.990 1.00 0.00 H new ATOM 0 HD12 LEU B 6 11.550 -3.401 -9.130 1.00 0.00 H new ATOM 0 HD13 LEU B 6 11.006 -4.224 -10.610 1.00 0.00 H new ATOM 0 HD21 LEU B 6 13.655 -3.872 -12.117 1.00 0.00 H new ATOM 0 HD22 LEU B 6 12.031 -3.634 -12.805 1.00 0.00 H new ATOM 0 HD23 LEU B 6 13.238 -2.329 -12.900 1.00 0.00 H new ATOM 419 N CYS B 7 10.153 1.241 -13.009 1.00 0.00 N ATOM 420 CA CYS B 7 8.998 2.103 -13.283 1.00 0.00 C ATOM 421 C CYS B 7 8.323 1.748 -14.617 1.00 0.00 C ATOM 422 O CYS B 7 8.956 1.179 -15.510 1.00 0.00 O ATOM 423 CB CYS B 7 9.429 3.574 -13.196 1.00 0.00 C ATOM 424 SG CYS B 7 8.055 4.701 -12.830 1.00 0.00 S ATOM 0 H CYS B 7 10.743 1.081 -13.826 1.00 0.00 H new ATOM 0 HA CYS B 7 8.234 1.934 -12.524 1.00 0.00 H new ATOM 0 HB2 CYS B 7 10.191 3.678 -12.423 1.00 0.00 H new ATOM 0 HB3 CYS B 7 9.890 3.867 -14.139 1.00 0.00 H new ATOM 429 N GLY B 8 7.026 2.045 -14.747 1.00 0.00 N ATOM 430 CA GLY B 8 6.241 1.721 -15.945 1.00 0.00 C ATOM 431 C GLY B 8 6.187 0.214 -16.210 1.00 0.00 C ATOM 432 O GLY B 8 5.835 -0.567 -15.322 1.00 0.00 O ATOM 0 H GLY B 8 6.488 2.519 -14.022 1.00 0.00 H new ATOM 0 HA2 GLY B 8 5.227 2.104 -15.828 1.00 0.00 H new ATOM 0 HA3 GLY B 8 6.675 2.225 -16.809 1.00 0.00 H new ATOM 436 N SER B 9 6.585 -0.217 -17.410 1.00 0.00 N ATOM 437 CA SER B 9 6.605 -1.633 -17.807 1.00 0.00 C ATOM 438 C SER B 9 7.505 -2.500 -16.919 1.00 0.00 C ATOM 439 O SER B 9 7.189 -3.664 -16.668 1.00 0.00 O ATOM 440 CB SER B 9 7.075 -1.770 -19.259 1.00 0.00 C ATOM 441 OG SER B 9 6.283 -0.965 -20.122 1.00 0.00 O ATOM 0 H SER B 9 6.907 0.413 -18.144 1.00 0.00 H new ATOM 0 HA SER B 9 5.582 -1.991 -17.693 1.00 0.00 H new ATOM 0 HB2 SER B 9 8.121 -1.475 -19.337 1.00 0.00 H new ATOM 0 HB3 SER B 9 7.014 -2.813 -19.569 1.00 0.00 H new ATOM 0 HG SER B 9 6.599 -1.065 -21.044 1.00 0.00 H new ATOM 447 N HIS B 10 8.602 -1.939 -16.393 1.00 0.00 N ATOM 448 CA HIS B 10 9.534 -2.667 -15.525 1.00 0.00 C ATOM 449 C HIS B 10 8.907 -2.987 -14.162 1.00 0.00 C ATOM 450 O HIS B 10 9.094 -4.078 -13.626 1.00 0.00 O ATOM 451 CB HIS B 10 10.803 -1.831 -15.329 1.00 0.00 C ATOM 452 CG HIS B 10 11.673 -1.722 -16.552 1.00 0.00 C ATOM 453 ND1 HIS B 10 12.805 -2.462 -16.800 1.00 0.00 N ATOM 454 CD2 HIS B 10 11.532 -0.834 -17.584 1.00 0.00 C ATOM 455 CE1 HIS B 10 13.340 -2.031 -17.952 1.00 0.00 C ATOM 456 NE2 HIS B 10 12.595 -1.038 -18.476 1.00 0.00 N ATOM 0 H HIS B 10 8.867 -0.968 -16.558 1.00 0.00 H new ATOM 0 HA HIS B 10 9.779 -3.613 -16.007 1.00 0.00 H new ATOM 0 HB2 HIS B 10 10.517 -0.828 -15.011 1.00 0.00 H new ATOM 0 HB3 HIS B 10 11.389 -2.267 -14.520 1.00 0.00 H new ATOM 0 HD2 HIS B 10 10.742 -0.105 -17.692 1.00 0.00 H new ATOM 0 HE1 HIS B 10 14.242 -2.425 -18.397 1.00 0.00 H new ATOM 0 HE2 HIS B 10 12.769 -0.536 -19.346 1.00 0.00 H new ATOM 464 N LEU B 11 8.128 -2.040 -13.621 1.00 0.00 N ATOM 465 CA LEU B 11 7.433 -2.162 -12.339 1.00 0.00 C ATOM 466 C LEU B 11 6.398 -3.291 -12.386 1.00 0.00 C ATOM 467 O LEU B 11 6.397 -4.154 -11.508 1.00 0.00 O ATOM 468 CB LEU B 11 6.821 -0.782 -12.021 1.00 0.00 C ATOM 469 CG LEU B 11 5.988 -0.645 -10.733 1.00 0.00 C ATOM 470 CD1 LEU B 11 6.009 0.828 -10.302 1.00 0.00 C ATOM 471 CD2 LEU B 11 4.523 -1.044 -10.932 1.00 0.00 C ATOM 0 H LEU B 11 7.962 -1.144 -14.079 1.00 0.00 H new ATOM 0 HA LEU B 11 8.117 -2.438 -11.537 1.00 0.00 H new ATOM 0 HB2 LEU B 11 7.635 -0.058 -11.972 1.00 0.00 H new ATOM 0 HB3 LEU B 11 6.189 -0.495 -12.861 1.00 0.00 H new ATOM 0 HG LEU B 11 6.425 -1.309 -9.987 1.00 0.00 H new ATOM 0 HD11 LEU B 11 5.424 0.949 -9.390 1.00 0.00 H new ATOM 0 HD12 LEU B 11 7.037 1.138 -10.117 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.580 1.444 -11.092 1.00 0.00 H new ATOM 0 HD21 LEU B 11 3.983 -0.928 -9.992 1.00 0.00 H new ATOM 0 HD22 LEU B 11 4.072 -0.405 -11.691 1.00 0.00 H new ATOM 0 HD23 LEU B 11 4.470 -2.084 -11.255 1.00 0.00 H new ATOM 483 N VAL B 12 5.554 -3.323 -13.425 1.00 0.00 N ATOM 484 CA VAL B 12 4.477 -4.320 -13.532 1.00 0.00 C ATOM 485 C VAL B 12 4.996 -5.711 -13.888 1.00 0.00 C ATOM 486 O VAL B 12 4.501 -6.695 -13.346 1.00 0.00 O ATOM 487 CB VAL B 12 3.356 -3.882 -14.496 1.00 0.00 C ATOM 488 CG1 VAL B 12 2.641 -2.642 -13.954 1.00 0.00 C ATOM 489 CG2 VAL B 12 3.824 -3.585 -15.925 1.00 0.00 C ATOM 0 H VAL B 12 5.595 -2.669 -14.206 1.00 0.00 H new ATOM 0 HA VAL B 12 4.040 -4.384 -12.536 1.00 0.00 H new ATOM 0 HB VAL B 12 2.684 -4.738 -14.552 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.853 -2.345 -14.646 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.204 -2.870 -12.982 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.357 -1.827 -13.848 1.00 0.00 H new ATOM 0 HG21 VAL B 12 2.970 -3.285 -16.532 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.558 -2.780 -15.907 1.00 0.00 H new ATOM 0 HG23 VAL B 12 4.277 -4.479 -16.353 1.00 0.00 H new ATOM 499 N GLU B 13 6.027 -5.812 -14.731 1.00 0.00 N ATOM 500 CA GLU B 13 6.641 -7.096 -15.097 1.00 0.00 C ATOM 501 C GLU B 13 7.326 -7.749 -13.880 1.00 0.00 C ATOM 502 O GLU B 13 7.113 -8.929 -13.604 1.00 0.00 O ATOM 503 CB GLU B 13 7.642 -6.871 -16.243 1.00 0.00 C ATOM 504 CG GLU B 13 8.238 -8.153 -16.839 1.00 0.00 C ATOM 505 CD GLU B 13 7.219 -8.910 -17.716 1.00 0.00 C ATOM 506 OE1 GLU B 13 6.461 -9.759 -17.190 1.00 0.00 O ATOM 507 OE2 GLU B 13 7.178 -8.659 -18.946 1.00 0.00 O ATOM 0 H GLU B 13 6.462 -5.006 -15.181 1.00 0.00 H new ATOM 0 HA GLU B 13 5.863 -7.781 -15.434 1.00 0.00 H new ATOM 0 HB2 GLU B 13 7.144 -6.315 -17.038 1.00 0.00 H new ATOM 0 HB3 GLU B 13 8.456 -6.245 -15.878 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.115 -7.902 -17.436 1.00 0.00 H new ATOM 0 HG3 GLU B 13 8.577 -8.804 -16.033 1.00 0.00 H new ATOM 514 N ALA B 14 8.090 -6.975 -13.104 1.00 0.00 N ATOM 515 CA ALA B 14 8.762 -7.458 -11.900 1.00 0.00 C ATOM 516 C ALA B 14 7.775 -7.822 -10.784 1.00 0.00 C ATOM 517 O ALA B 14 7.935 -8.853 -10.132 1.00 0.00 O ATOM 518 CB ALA B 14 9.717 -6.367 -11.425 1.00 0.00 C ATOM 0 H ALA B 14 8.259 -5.988 -13.298 1.00 0.00 H new ATOM 0 HA ALA B 14 9.303 -8.373 -12.143 1.00 0.00 H new ATOM 0 HB1 ALA B 14 10.233 -6.702 -10.525 1.00 0.00 H new ATOM 0 HB2 ALA B 14 10.448 -6.158 -12.206 1.00 0.00 H new ATOM 0 HB3 ALA B 14 9.153 -5.461 -11.204 1.00 0.00 H new ATOM 524 N LEU B 15 6.729 -7.012 -10.580 1.00 0.00 N ATOM 525 CA LEU B 15 5.688 -7.283 -9.600 1.00 0.00 C ATOM 526 C LEU B 15 4.894 -8.546 -9.976 1.00 0.00 C ATOM 527 O LEU B 15 4.719 -9.427 -9.141 1.00 0.00 O ATOM 528 CB LEU B 15 4.841 -6.004 -9.469 1.00 0.00 C ATOM 529 CG LEU B 15 3.624 -6.118 -8.552 1.00 0.00 C ATOM 530 CD1 LEU B 15 3.981 -6.571 -7.138 1.00 0.00 C ATOM 531 CD2 LEU B 15 2.933 -4.757 -8.458 1.00 0.00 C ATOM 0 H LEU B 15 6.587 -6.145 -11.098 1.00 0.00 H new ATOM 0 HA LEU B 15 6.102 -7.514 -8.618 1.00 0.00 H new ATOM 0 HB2 LEU B 15 5.479 -5.201 -9.100 1.00 0.00 H new ATOM 0 HB3 LEU B 15 4.501 -5.710 -10.462 1.00 0.00 H new ATOM 0 HG LEU B 15 2.971 -6.873 -8.990 1.00 0.00 H new ATOM 0 HD11 LEU B 15 3.074 -6.632 -6.536 1.00 0.00 H new ATOM 0 HD12 LEU B 15 4.457 -7.551 -7.179 1.00 0.00 H new ATOM 0 HD13 LEU B 15 4.667 -5.853 -6.688 1.00 0.00 H new ATOM 0 HD21 LEU B 15 2.064 -4.834 -7.804 1.00 0.00 H new ATOM 0 HD22 LEU B 15 3.629 -4.023 -8.051 1.00 0.00 H new ATOM 0 HD23 LEU B 15 2.613 -4.442 -9.451 1.00 0.00 H new ATOM 543 N TYR B 16 4.512 -8.715 -11.245 1.00 0.00 N ATOM 544 CA TYR B 16 3.834 -9.922 -11.737 1.00 0.00 C ATOM 545 C TYR B 16 4.712 -11.180 -11.645 1.00 0.00 C ATOM 546 O TYR B 16 4.214 -12.253 -11.301 1.00 0.00 O ATOM 547 CB TYR B 16 3.384 -9.663 -13.180 1.00 0.00 C ATOM 548 CG TYR B 16 2.445 -10.712 -13.739 1.00 0.00 C ATOM 549 CD1 TYR B 16 1.058 -10.608 -13.509 1.00 0.00 C ATOM 550 CD2 TYR B 16 2.952 -11.785 -14.494 1.00 0.00 C ATOM 551 CE1 TYR B 16 0.177 -11.568 -14.043 1.00 0.00 C ATOM 552 CE2 TYR B 16 2.073 -12.749 -15.024 1.00 0.00 C ATOM 553 CZ TYR B 16 0.683 -12.634 -14.816 1.00 0.00 C ATOM 554 OH TYR B 16 -0.163 -13.561 -15.342 1.00 0.00 O ATOM 0 H TYR B 16 4.665 -8.012 -11.968 1.00 0.00 H new ATOM 0 HA TYR B 16 2.972 -10.122 -11.100 1.00 0.00 H new ATOM 0 HB2 TYR B 16 2.893 -8.691 -13.226 1.00 0.00 H new ATOM 0 HB3 TYR B 16 4.266 -9.605 -13.818 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.670 -9.789 -12.921 1.00 0.00 H new ATOM 0 HD2 TYR B 16 4.015 -11.869 -14.667 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -0.885 -11.488 -13.861 1.00 0.00 H new ATOM 0 HE2 TYR B 16 2.465 -13.580 -15.592 1.00 0.00 H new ATOM 0 HH TYR B 16 0.352 -14.224 -15.847 1.00 0.00 H new ATOM 564 N LEU B 17 6.026 -11.051 -11.866 1.00 0.00 N ATOM 565 CA LEU B 17 7.001 -12.127 -11.670 1.00 0.00 C ATOM 566 C LEU B 17 7.154 -12.513 -10.185 1.00 0.00 C ATOM 567 O LEU B 17 7.291 -13.696 -9.878 1.00 0.00 O ATOM 568 CB LEU B 17 8.338 -11.680 -12.286 1.00 0.00 C ATOM 569 CG LEU B 17 9.480 -12.712 -12.196 1.00 0.00 C ATOM 570 CD1 LEU B 17 9.157 -14.007 -12.947 1.00 0.00 C ATOM 571 CD2 LEU B 17 10.753 -12.114 -12.804 1.00 0.00 C ATOM 0 H LEU B 17 6.447 -10.181 -12.191 1.00 0.00 H new ATOM 0 HA LEU B 17 6.648 -13.029 -12.170 1.00 0.00 H new ATOM 0 HB2 LEU B 17 8.173 -11.436 -13.335 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.659 -10.763 -11.792 1.00 0.00 H new ATOM 0 HG LEU B 17 9.615 -12.951 -11.141 1.00 0.00 H new ATOM 0 HD11 LEU B 17 9.993 -14.700 -12.853 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.261 -14.460 -12.523 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.987 -13.784 -14.000 1.00 0.00 H new ATOM 0 HD21 LEU B 17 11.562 -12.841 -12.742 1.00 0.00 H new ATOM 0 HD22 LEU B 17 10.573 -11.860 -13.849 1.00 0.00 H new ATOM 0 HD23 LEU B 17 11.031 -11.214 -12.255 1.00 0.00 H new ATOM 583 N VAL B 18 7.070 -11.545 -9.266 1.00 0.00 N ATOM 584 CA VAL B 18 7.127 -11.789 -7.812 1.00 0.00 C ATOM 585 C VAL B 18 5.821 -12.402 -7.299 1.00 0.00 C ATOM 586 O VAL B 18 5.852 -13.332 -6.490 1.00 0.00 O ATOM 587 CB VAL B 18 7.516 -10.496 -7.057 1.00 0.00 C ATOM 588 CG1 VAL B 18 7.151 -10.556 -5.567 1.00 0.00 C ATOM 589 CG2 VAL B 18 9.028 -10.274 -7.183 1.00 0.00 C ATOM 0 H VAL B 18 6.960 -10.560 -9.508 1.00 0.00 H new ATOM 0 HA VAL B 18 7.908 -12.523 -7.614 1.00 0.00 H new ATOM 0 HB VAL B 18 6.957 -9.675 -7.507 1.00 0.00 H new ATOM 0 HG11 VAL B 18 7.445 -9.625 -5.083 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.075 -10.696 -5.461 1.00 0.00 H new ATOM 0 HG13 VAL B 18 7.674 -11.390 -5.098 1.00 0.00 H new ATOM 0 HG21 VAL B 18 9.308 -9.364 -6.653 1.00 0.00 H new ATOM 0 HG22 VAL B 18 9.558 -11.123 -6.751 1.00 0.00 H new ATOM 0 HG23 VAL B 18 9.295 -10.177 -8.235 1.00 0.00 H new ATOM 599 N CYS B 19 4.672 -11.944 -7.804 1.00 0.00 N ATOM 600 CA CYS B 19 3.362 -12.512 -7.486 1.00 0.00 C ATOM 601 C CYS B 19 3.125 -13.876 -8.165 1.00 0.00 C ATOM 602 O CYS B 19 2.256 -14.633 -7.734 1.00 0.00 O ATOM 603 CB CYS B 19 2.283 -11.493 -7.866 1.00 0.00 C ATOM 604 SG CYS B 19 2.455 -9.869 -7.070 1.00 0.00 S ATOM 0 H CYS B 19 4.627 -11.159 -8.453 1.00 0.00 H new ATOM 0 HA CYS B 19 3.318 -12.712 -6.415 1.00 0.00 H new ATOM 0 HB2 CYS B 19 2.298 -11.355 -8.947 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.307 -11.906 -7.610 1.00 0.00 H new ATOM 609 N GLY B 20 3.895 -14.199 -9.211 1.00 0.00 N ATOM 610 CA GLY B 20 3.924 -15.497 -9.890 1.00 0.00 C ATOM 611 C GLY B 20 2.578 -15.893 -10.497 1.00 0.00 C ATOM 612 O GLY B 20 1.981 -16.899 -10.113 1.00 0.00 O ATOM 0 H GLY B 20 4.544 -13.530 -9.625 1.00 0.00 H new ATOM 0 HA2 GLY B 20 4.676 -15.470 -10.678 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.234 -16.264 -9.180 1.00 0.00 H new ATOM 616 N GLU B 21 2.097 -15.073 -11.434 1.00 0.00 N ATOM 617 CA GLU B 21 0.825 -15.234 -12.166 1.00 0.00 C ATOM 618 C GLU B 21 -0.456 -15.132 -11.304 1.00 0.00 C ATOM 619 O GLU B 21 -1.562 -15.330 -11.817 1.00 0.00 O ATOM 620 CB GLU B 21 0.839 -16.485 -13.070 1.00 0.00 C ATOM 621 CG GLU B 21 2.039 -16.569 -14.023 1.00 0.00 C ATOM 622 CD GLU B 21 1.946 -17.823 -14.914 1.00 0.00 C ATOM 623 OE1 GLU B 21 1.338 -17.754 -16.012 1.00 0.00 O ATOM 624 OE2 GLU B 21 2.484 -18.890 -14.529 1.00 0.00 O ATOM 0 H GLU B 21 2.604 -14.236 -11.722 1.00 0.00 H new ATOM 0 HA GLU B 21 0.766 -14.357 -12.811 1.00 0.00 H new ATOM 0 HB2 GLU B 21 0.830 -17.374 -12.439 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -0.078 -16.502 -13.659 1.00 0.00 H new ATOM 0 HG2 GLU B 21 2.076 -15.676 -14.647 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.964 -16.594 -13.448 1.00 0.00 H new ATOM 631 N ARG B 22 -0.346 -14.762 -10.017 1.00 0.00 N ATOM 632 CA ARG B 22 -1.510 -14.495 -9.142 1.00 0.00 C ATOM 633 C ARG B 22 -2.173 -13.139 -9.423 1.00 0.00 C ATOM 634 O ARG B 22 -3.337 -12.936 -9.069 1.00 0.00 O ATOM 635 CB ARG B 22 -1.102 -14.576 -7.662 1.00 0.00 C ATOM 636 CG ARG B 22 -0.676 -15.992 -7.243 1.00 0.00 C ATOM 637 CD ARG B 22 -0.222 -16.007 -5.780 1.00 0.00 C ATOM 638 NE ARG B 22 0.218 -17.355 -5.364 1.00 0.00 N ATOM 639 CZ ARG B 22 -0.518 -18.309 -4.824 1.00 0.00 C ATOM 640 NH1 ARG B 22 -1.790 -18.154 -4.581 1.00 0.00 N ATOM 641 NH2 ARG B 22 0.016 -19.453 -4.514 1.00 0.00 N ATOM 0 H ARG B 22 0.552 -14.638 -9.549 1.00 0.00 H new ATOM 0 HA ARG B 22 -2.246 -15.267 -9.366 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.281 -13.884 -7.477 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -1.937 -14.253 -7.040 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -1.508 -16.683 -7.378 1.00 0.00 H new ATOM 0 HG3 ARG B 22 0.134 -16.339 -7.885 1.00 0.00 H new ATOM 0 HD2 ARG B 22 0.595 -15.298 -5.644 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -1.040 -15.677 -5.140 1.00 0.00 H new ATOM 0 HE ARG B 22 1.203 -17.574 -5.511 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -2.249 -17.272 -4.809 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -2.326 -18.915 -4.163 1.00 0.00 H new ATOM 0 HH21 ARG B 22 1.008 -19.617 -4.688 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -0.557 -20.187 -4.097 1.00 0.00 H new ATOM 655 N GLY B 23 -1.444 -12.219 -10.057 1.00 0.00 N ATOM 656 CA GLY B 23 -1.831 -10.816 -10.224 1.00 0.00 C ATOM 657 C GLY B 23 -1.485 -9.941 -9.015 1.00 0.00 C ATOM 658 O GLY B 23 -0.999 -10.415 -7.984 1.00 0.00 O ATOM 0 H GLY B 23 -0.542 -12.435 -10.481 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -1.337 -10.413 -11.108 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.904 -10.762 -10.407 1.00 0.00 H new ATOM 662 N PHE B 24 -1.738 -8.642 -9.154 1.00 0.00 N ATOM 663 CA PHE B 24 -1.398 -7.591 -8.191 1.00 0.00 C ATOM 664 C PHE B 24 -2.427 -6.444 -8.177 1.00 0.00 C ATOM 665 O PHE B 24 -3.270 -6.322 -9.068 1.00 0.00 O ATOM 666 CB PHE B 24 0.018 -7.071 -8.502 1.00 0.00 C ATOM 667 CG PHE B 24 0.181 -6.421 -9.867 1.00 0.00 C ATOM 668 CD1 PHE B 24 -0.131 -5.057 -10.041 1.00 0.00 C ATOM 669 CD2 PHE B 24 0.653 -7.172 -10.960 1.00 0.00 C ATOM 670 CE1 PHE B 24 -0.001 -4.460 -11.307 1.00 0.00 C ATOM 671 CE2 PHE B 24 0.785 -6.570 -12.224 1.00 0.00 C ATOM 672 CZ PHE B 24 0.451 -5.217 -12.401 1.00 0.00 C ATOM 0 H PHE B 24 -2.208 -8.273 -9.980 1.00 0.00 H new ATOM 0 HA PHE B 24 -1.421 -8.021 -7.190 1.00 0.00 H new ATOM 0 HB2 PHE B 24 0.299 -6.348 -7.736 1.00 0.00 H new ATOM 0 HB3 PHE B 24 0.718 -7.903 -8.427 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.470 -4.470 -9.200 1.00 0.00 H new ATOM 0 HD2 PHE B 24 0.914 -8.212 -10.828 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.249 -3.417 -11.439 1.00 0.00 H new ATOM 0 HE2 PHE B 24 1.144 -7.150 -13.061 1.00 0.00 H new ATOM 0 HZ PHE B 24 0.541 -4.760 -13.375 1.00 0.00 H new