USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 410 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 15 GLN : amide:sc= 0.451 K(o=1.2,f=-1.6) USER MOD Set 1.2: A 18 ASN : amide:sc= 0.708 K(o=1.2,f=-0.63) USER MOD Single : A 1 GLY N :NH3+ -155:sc= 0.51 (180deg=0.285) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 8 THR OG1 : rot -67:sc= 1.11 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0668 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 164:sc= 0.277 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : B 1 PHE N :NH3+ -111:sc= 0.0903 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.137 X(o=0.14,f=-0.27) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : B 5 HIS : no HD1:sc= -0.0379 X(o=-0.038,f=0) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.0568 X(o=-0.057,f=-0.057) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ -160:sc= 1.5 (180deg=1.04) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0052 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.055 -2.948 4.096 1.00 0.00 N ATOM 2 CA GLY A 1 9.978 -3.879 3.674 1.00 0.00 C ATOM 3 C GLY A 1 10.512 -5.090 2.925 1.00 0.00 C ATOM 4 O GLY A 1 11.637 -5.072 2.435 1.00 0.00 O ATOM 0 H1 GLY A 1 10.737 -2.401 4.922 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.905 -3.492 4.347 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.278 -2.298 3.315 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.427 -4.214 4.553 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.271 -3.346 3.038 1.00 0.00 H new ATOM 10 N ILE A 2 9.696 -6.143 2.792 1.00 0.00 N ATOM 11 CA ILE A 2 10.015 -7.445 2.178 1.00 0.00 C ATOM 12 C ILE A 2 10.791 -7.331 0.851 1.00 0.00 C ATOM 13 O ILE A 2 11.919 -7.815 0.736 1.00 0.00 O ATOM 14 CB ILE A 2 8.680 -8.199 1.959 1.00 0.00 C ATOM 15 CG1 ILE A 2 7.842 -8.431 3.238 1.00 0.00 C ATOM 16 CG2 ILE A 2 8.957 -9.522 1.250 1.00 0.00 C ATOM 17 CD1 ILE A 2 8.486 -9.315 4.310 1.00 0.00 C ATOM 0 H ILE A 2 8.734 -6.110 3.130 1.00 0.00 H new ATOM 0 HA ILE A 2 10.677 -7.987 2.853 1.00 0.00 H new ATOM 0 HB ILE A 2 8.063 -7.548 1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.617 -7.461 3.682 1.00 0.00 H new ATOM 0 HG13 ILE A 2 6.891 -8.878 2.949 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.019 -10.055 1.095 1.00 0.00 H new ATOM 0 HG22 ILE A 2 9.427 -9.327 0.286 1.00 0.00 H new ATOM 0 HG23 ILE A 2 9.623 -10.130 1.862 1.00 0.00 H new ATOM 0 HD11 ILE A 2 7.810 -9.408 5.160 1.00 0.00 H new ATOM 0 HD12 ILE A 2 8.685 -10.303 3.895 1.00 0.00 H new ATOM 0 HD13 ILE A 2 9.422 -8.864 4.639 1.00 0.00 H new ATOM 29 N VAL A 3 10.197 -6.668 -0.146 1.00 0.00 N ATOM 30 CA VAL A 3 10.747 -6.562 -1.518 1.00 0.00 C ATOM 31 C VAL A 3 11.877 -5.542 -1.653 1.00 0.00 C ATOM 32 O VAL A 3 12.563 -5.482 -2.670 1.00 0.00 O ATOM 33 CB VAL A 3 9.648 -6.290 -2.562 1.00 0.00 C ATOM 34 CG1 VAL A 3 8.723 -7.502 -2.705 1.00 0.00 C ATOM 35 CG2 VAL A 3 8.796 -5.050 -2.236 1.00 0.00 C ATOM 0 H VAL A 3 9.309 -6.180 -0.030 1.00 0.00 H new ATOM 0 HA VAL A 3 11.184 -7.540 -1.720 1.00 0.00 H new ATOM 0 HB VAL A 3 10.170 -6.099 -3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.954 -7.287 -3.448 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.304 -8.367 -3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.251 -7.715 -1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.041 -4.914 -3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.307 -5.188 -1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.436 -4.169 -2.195 1.00 0.00 H new ATOM 45 N GLU A 4 12.089 -4.755 -0.606 1.00 0.00 N ATOM 46 CA GLU A 4 13.134 -3.735 -0.517 1.00 0.00 C ATOM 47 C GLU A 4 14.401 -4.298 0.147 1.00 0.00 C ATOM 48 O GLU A 4 15.512 -3.996 -0.288 1.00 0.00 O ATOM 49 CB GLU A 4 12.543 -2.543 0.254 1.00 0.00 C ATOM 50 CG GLU A 4 13.519 -1.411 0.594 1.00 0.00 C ATOM 51 CD GLU A 4 12.834 -0.376 1.510 1.00 0.00 C ATOM 52 OE1 GLU A 4 12.369 -0.763 2.617 1.00 0.00 O ATOM 53 OE2 GLU A 4 12.748 0.818 1.135 1.00 0.00 O ATOM 0 H GLU A 4 11.518 -4.809 0.238 1.00 0.00 H new ATOM 0 HA GLU A 4 13.446 -3.407 -1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 4 11.725 -2.126 -0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.111 -2.915 1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.401 -1.818 1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.861 -0.928 -0.321 1.00 0.00 H new ATOM 60 N GLN A 5 14.254 -5.155 1.159 1.00 0.00 N ATOM 61 CA GLN A 5 15.360 -5.617 2.008 1.00 0.00 C ATOM 62 C GLN A 5 16.344 -6.556 1.280 1.00 0.00 C ATOM 63 O GLN A 5 17.527 -6.569 1.616 1.00 0.00 O ATOM 64 CB GLN A 5 14.752 -6.230 3.284 1.00 0.00 C ATOM 65 CG GLN A 5 15.762 -6.833 4.279 1.00 0.00 C ATOM 66 CD GLN A 5 16.767 -5.835 4.862 1.00 0.00 C ATOM 67 OE1 GLN A 5 16.582 -4.625 4.855 1.00 0.00 O ATOM 68 NE2 GLN A 5 17.863 -6.303 5.420 1.00 0.00 N ATOM 0 H GLN A 5 13.352 -5.555 1.418 1.00 0.00 H new ATOM 0 HA GLN A 5 15.986 -4.767 2.280 1.00 0.00 H new ATOM 0 HB2 GLN A 5 14.179 -5.459 3.798 1.00 0.00 H new ATOM 0 HB3 GLN A 5 14.048 -7.009 2.992 1.00 0.00 H new ATOM 0 HG2 GLN A 5 15.211 -7.293 5.099 1.00 0.00 H new ATOM 0 HG3 GLN A 5 16.312 -7.630 3.778 1.00 0.00 H new ATOM 0 HE21 GLN A 5 18.038 -7.308 5.437 1.00 0.00 H new ATOM 0 HE22 GLN A 5 18.538 -5.661 5.835 1.00 0.00 H new ATOM 77 N CYS A 6 15.889 -7.280 0.248 1.00 0.00 N ATOM 78 CA CYS A 6 16.744 -8.057 -0.663 1.00 0.00 C ATOM 79 C CYS A 6 17.172 -7.295 -1.937 1.00 0.00 C ATOM 80 O CYS A 6 18.097 -7.723 -2.629 1.00 0.00 O ATOM 81 CB CYS A 6 16.040 -9.371 -1.023 1.00 0.00 C ATOM 82 SG CYS A 6 16.223 -10.676 0.220 1.00 0.00 S ATOM 0 H CYS A 6 14.897 -7.344 0.018 1.00 0.00 H new ATOM 0 HA CYS A 6 17.672 -8.257 -0.128 1.00 0.00 H new ATOM 0 HB2 CYS A 6 14.979 -9.173 -1.172 1.00 0.00 H new ATOM 0 HB3 CYS A 6 16.433 -9.732 -1.973 1.00 0.00 H new ATOM 87 N CYS A 7 16.513 -6.170 -2.255 1.00 0.00 N ATOM 88 CA CYS A 7 16.802 -5.358 -3.444 1.00 0.00 C ATOM 89 C CYS A 7 17.814 -4.229 -3.165 1.00 0.00 C ATOM 90 O CYS A 7 18.635 -3.901 -4.025 1.00 0.00 O ATOM 91 CB CYS A 7 15.463 -4.837 -3.984 1.00 0.00 C ATOM 92 SG CYS A 7 15.563 -3.913 -5.541 1.00 0.00 S ATOM 0 H CYS A 7 15.755 -5.795 -1.685 1.00 0.00 H new ATOM 0 HA CYS A 7 17.291 -5.972 -4.200 1.00 0.00 H new ATOM 0 HB2 CYS A 7 14.793 -5.685 -4.126 1.00 0.00 H new ATOM 0 HB3 CYS A 7 15.010 -4.195 -3.228 1.00 0.00 H new ATOM 97 N THR A 8 17.794 -3.658 -1.955 1.00 0.00 N ATOM 98 CA THR A 8 18.674 -2.554 -1.510 1.00 0.00 C ATOM 99 C THR A 8 19.881 -3.020 -0.684 1.00 0.00 C ATOM 100 O THR A 8 20.865 -2.287 -0.563 1.00 0.00 O ATOM 101 CB THR A 8 17.885 -1.507 -0.700 1.00 0.00 C ATOM 102 OG1 THR A 8 17.376 -2.067 0.492 1.00 0.00 O ATOM 103 CG2 THR A 8 16.704 -0.932 -1.481 1.00 0.00 C ATOM 0 H THR A 8 17.144 -3.957 -1.228 1.00 0.00 H new ATOM 0 HA THR A 8 19.059 -2.109 -2.428 1.00 0.00 H new ATOM 0 HB THR A 8 18.594 -0.709 -0.480 1.00 0.00 H new ATOM 0 HG1 THR A 8 16.689 -2.731 0.274 1.00 0.00 H new ATOM 0 HG21 THR A 8 16.182 -0.200 -0.865 1.00 0.00 H new ATOM 0 HG22 THR A 8 17.068 -0.450 -2.388 1.00 0.00 H new ATOM 0 HG23 THR A 8 16.018 -1.736 -1.748 1.00 0.00 H new ATOM 111 N SER A 9 19.817 -4.237 -0.137 1.00 0.00 N ATOM 112 CA SER A 9 20.881 -4.939 0.594 1.00 0.00 C ATOM 113 C SER A 9 20.910 -6.413 0.168 1.00 0.00 C ATOM 114 O SER A 9 19.915 -6.926 -0.342 1.00 0.00 O ATOM 115 CB SER A 9 20.649 -4.845 2.107 1.00 0.00 C ATOM 116 OG SER A 9 20.891 -3.526 2.579 1.00 0.00 O ATOM 0 H SER A 9 18.966 -4.796 -0.196 1.00 0.00 H new ATOM 0 HA SER A 9 21.836 -4.469 0.358 1.00 0.00 H new ATOM 0 HB2 SER A 9 19.625 -5.136 2.340 1.00 0.00 H new ATOM 0 HB3 SER A 9 21.305 -5.546 2.623 1.00 0.00 H new ATOM 0 HG SER A 9 20.735 -3.491 3.546 1.00 0.00 H new ATOM 122 N ILE A 10 22.039 -7.106 0.356 1.00 0.00 N ATOM 123 CA ILE A 10 22.198 -8.494 -0.106 1.00 0.00 C ATOM 124 C ILE A 10 21.182 -9.453 0.543 1.00 0.00 C ATOM 125 O ILE A 10 20.862 -9.345 1.728 1.00 0.00 O ATOM 126 CB ILE A 10 23.655 -8.989 0.039 1.00 0.00 C ATOM 127 CG1 ILE A 10 24.173 -8.923 1.495 1.00 0.00 C ATOM 128 CG2 ILE A 10 24.556 -8.204 -0.931 1.00 0.00 C ATOM 129 CD1 ILE A 10 25.547 -9.566 1.709 1.00 0.00 C ATOM 0 H ILE A 10 22.861 -6.728 0.827 1.00 0.00 H new ATOM 0 HA ILE A 10 21.973 -8.495 -1.172 1.00 0.00 H new ATOM 0 HB ILE A 10 23.682 -10.046 -0.224 1.00 0.00 H new ATOM 0 HG12 ILE A 10 24.223 -7.879 1.803 1.00 0.00 H new ATOM 0 HG13 ILE A 10 23.450 -9.414 2.147 1.00 0.00 H new ATOM 0 HG21 ILE A 10 25.585 -8.550 -0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 10 24.216 -8.364 -1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 10 24.506 -7.141 -0.695 1.00 0.00 H new ATOM 0 HD11 ILE A 10 25.832 -9.474 2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 10 25.502 -10.620 1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 10 26.286 -9.061 1.086 1.00 0.00 H new ATOM 141 N CYS A 11 20.660 -10.385 -0.255 1.00 0.00 N ATOM 142 CA CYS A 11 19.593 -11.309 0.133 1.00 0.00 C ATOM 143 C CYS A 11 20.131 -12.571 0.834 1.00 0.00 C ATOM 144 O CYS A 11 21.327 -12.868 0.770 1.00 0.00 O ATOM 145 CB CYS A 11 18.763 -11.632 -1.119 1.00 0.00 C ATOM 146 SG CYS A 11 17.073 -12.209 -0.816 1.00 0.00 S ATOM 0 H CYS A 11 20.976 -10.522 -1.215 1.00 0.00 H new ATOM 0 HA CYS A 11 18.953 -10.835 0.877 1.00 0.00 H new ATOM 0 HB2 CYS A 11 18.716 -10.738 -1.741 1.00 0.00 H new ATOM 0 HB3 CYS A 11 19.289 -12.394 -1.694 1.00 0.00 H new ATOM 151 N SER A 12 19.251 -13.324 1.503 1.00 0.00 N ATOM 152 CA SER A 12 19.580 -14.585 2.169 1.00 0.00 C ATOM 153 C SER A 12 18.359 -15.504 2.243 1.00 0.00 C ATOM 154 O SER A 12 17.244 -15.037 2.485 1.00 0.00 O ATOM 155 CB SER A 12 20.094 -14.301 3.586 1.00 0.00 C ATOM 156 OG SER A 12 20.323 -15.512 4.281 1.00 0.00 O ATOM 0 H SER A 12 18.269 -13.066 1.597 1.00 0.00 H new ATOM 0 HA SER A 12 20.353 -15.087 1.587 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.017 -13.723 3.536 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.368 -13.695 4.128 1.00 0.00 H new ATOM 0 HG SER A 12 20.652 -15.314 5.183 1.00 0.00 H new ATOM 162 N LEU A 13 18.577 -16.819 2.123 1.00 0.00 N ATOM 163 CA LEU A 13 17.562 -17.860 2.355 1.00 0.00 C ATOM 164 C LEU A 13 16.902 -17.714 3.739 1.00 0.00 C ATOM 165 O LEU A 13 15.712 -17.974 3.883 1.00 0.00 O ATOM 166 CB LEU A 13 18.225 -19.247 2.260 1.00 0.00 C ATOM 167 CG LEU A 13 19.009 -19.526 0.963 1.00 0.00 C ATOM 168 CD1 LEU A 13 19.595 -20.938 1.001 1.00 0.00 C ATOM 169 CD2 LEU A 13 18.142 -19.404 -0.287 1.00 0.00 C ATOM 0 H LEU A 13 19.485 -17.200 1.856 1.00 0.00 H new ATOM 0 HA LEU A 13 16.789 -17.750 1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 13 18.904 -19.364 3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 13 17.451 -20.007 2.366 1.00 0.00 H new ATOM 0 HG LEU A 13 19.796 -18.774 0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 13 20.148 -21.127 0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 13 20.268 -21.030 1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 13 18.788 -21.664 1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 13 18.746 -19.611 -1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 13 17.322 -20.120 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 13 17.738 -18.394 -0.352 1.00 0.00 H new ATOM 181 N TYR A 14 17.649 -17.235 4.738 1.00 0.00 N ATOM 182 CA TYR A 14 17.156 -17.055 6.107 1.00 0.00 C ATOM 183 C TYR A 14 16.215 -15.849 6.236 1.00 0.00 C ATOM 184 O TYR A 14 15.238 -15.909 6.987 1.00 0.00 O ATOM 185 CB TYR A 14 18.351 -16.942 7.063 1.00 0.00 C ATOM 186 CG TYR A 14 19.158 -18.223 7.195 1.00 0.00 C ATOM 187 CD1 TYR A 14 20.184 -18.529 6.276 1.00 0.00 C ATOM 188 CD2 TYR A 14 18.866 -19.124 8.242 1.00 0.00 C ATOM 189 CE1 TYR A 14 20.919 -19.724 6.408 1.00 0.00 C ATOM 190 CE2 TYR A 14 19.601 -20.317 8.378 1.00 0.00 C ATOM 191 CZ TYR A 14 20.632 -20.618 7.459 1.00 0.00 C ATOM 192 OH TYR A 14 21.348 -21.769 7.600 1.00 0.00 O ATOM 0 H TYR A 14 18.623 -16.958 4.618 1.00 0.00 H new ATOM 0 HA TYR A 14 16.561 -17.928 6.376 1.00 0.00 H new ATOM 0 HB2 TYR A 14 19.008 -16.145 6.715 1.00 0.00 H new ATOM 0 HB3 TYR A 14 17.989 -16.649 8.049 1.00 0.00 H new ATOM 0 HD1 TYR A 14 20.406 -17.846 5.470 1.00 0.00 H new ATOM 0 HD2 TYR A 14 18.075 -18.897 8.942 1.00 0.00 H new ATOM 0 HE1 TYR A 14 21.704 -19.955 5.703 1.00 0.00 H new ATOM 0 HE2 TYR A 14 19.377 -21.001 9.183 1.00 0.00 H new ATOM 0 HH TYR A 14 21.018 -22.266 8.377 1.00 0.00 H new ATOM 202 N GLN A 15 16.448 -14.779 5.464 1.00 0.00 N ATOM 203 CA GLN A 15 15.511 -13.651 5.370 1.00 0.00 C ATOM 204 C GLN A 15 14.315 -13.979 4.467 1.00 0.00 C ATOM 205 O GLN A 15 13.201 -13.563 4.765 1.00 0.00 O ATOM 206 CB GLN A 15 16.233 -12.373 4.912 1.00 0.00 C ATOM 207 CG GLN A 15 17.205 -11.812 5.964 1.00 0.00 C ATOM 208 CD GLN A 15 16.545 -11.274 7.242 1.00 0.00 C ATOM 209 OE1 GLN A 15 15.335 -11.279 7.447 1.00 0.00 O ATOM 210 NE2 GLN A 15 17.332 -10.776 8.177 1.00 0.00 N ATOM 0 H GLN A 15 17.285 -14.671 4.891 1.00 0.00 H new ATOM 0 HA GLN A 15 15.113 -13.469 6.368 1.00 0.00 H new ATOM 0 HB2 GLN A 15 16.783 -12.584 3.995 1.00 0.00 H new ATOM 0 HB3 GLN A 15 15.491 -11.612 4.671 1.00 0.00 H new ATOM 0 HG2 GLN A 15 17.909 -12.597 6.240 1.00 0.00 H new ATOM 0 HG3 GLN A 15 17.785 -11.010 5.508 1.00 0.00 H new ATOM 0 HE21 GLN A 15 18.342 -10.758 8.037 1.00 0.00 H new ATOM 0 HE22 GLN A 15 16.930 -10.410 9.040 1.00 0.00 H new ATOM 219 N LEU A 16 14.496 -14.796 3.425 1.00 0.00 N ATOM 220 CA LEU A 16 13.377 -15.318 2.638 1.00 0.00 C ATOM 221 C LEU A 16 12.463 -16.212 3.506 1.00 0.00 C ATOM 222 O LEU A 16 11.251 -16.019 3.502 1.00 0.00 O ATOM 223 CB LEU A 16 13.929 -16.040 1.397 1.00 0.00 C ATOM 224 CG LEU A 16 14.614 -15.124 0.363 1.00 0.00 C ATOM 225 CD1 LEU A 16 15.353 -15.945 -0.695 1.00 0.00 C ATOM 226 CD2 LEU A 16 13.623 -14.238 -0.378 1.00 0.00 C ATOM 0 H LEU A 16 15.412 -15.111 3.106 1.00 0.00 H new ATOM 0 HA LEU A 16 12.747 -14.499 2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.645 -16.795 1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.110 -16.567 0.907 1.00 0.00 H new ATOM 0 HG LEU A 16 15.305 -14.505 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.827 -15.274 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.115 -16.558 -0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.645 -16.590 -1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 16 14.158 -13.613 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.903 -14.862 -0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.098 -13.604 0.336 1.00 0.00 H new ATOM 238 N GLU A 17 13.007 -17.098 4.352 1.00 0.00 N ATOM 239 CA GLU A 17 12.208 -17.833 5.352 1.00 0.00 C ATOM 240 C GLU A 17 11.537 -16.904 6.378 1.00 0.00 C ATOM 241 O GLU A 17 10.405 -17.166 6.796 1.00 0.00 O ATOM 242 CB GLU A 17 13.058 -18.883 6.090 1.00 0.00 C ATOM 243 CG GLU A 17 13.331 -20.127 5.248 1.00 0.00 C ATOM 244 CD GLU A 17 13.985 -21.236 6.097 1.00 0.00 C ATOM 245 OE1 GLU A 17 13.249 -22.009 6.761 1.00 0.00 O ATOM 246 OE2 GLU A 17 15.235 -21.352 6.102 1.00 0.00 O ATOM 0 H GLU A 17 14.001 -17.326 4.366 1.00 0.00 H new ATOM 0 HA GLU A 17 11.421 -18.336 4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.007 -18.434 6.383 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.547 -19.176 7.007 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.398 -20.494 4.821 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.984 -19.870 4.414 1.00 0.00 H new ATOM 253 N ASN A 18 12.171 -15.784 6.740 1.00 0.00 N ATOM 254 CA ASN A 18 11.561 -14.761 7.598 1.00 0.00 C ATOM 255 C ASN A 18 10.326 -14.131 6.917 1.00 0.00 C ATOM 256 O ASN A 18 9.297 -13.938 7.566 1.00 0.00 O ATOM 257 CB ASN A 18 12.639 -13.729 7.983 1.00 0.00 C ATOM 258 CG ASN A 18 12.229 -12.733 9.055 1.00 0.00 C ATOM 259 OD1 ASN A 18 11.287 -12.916 9.812 1.00 0.00 O ATOM 260 ND2 ASN A 18 12.959 -11.648 9.163 1.00 0.00 N ATOM 0 H ASN A 18 13.122 -15.560 6.447 1.00 0.00 H new ATOM 0 HA ASN A 18 11.187 -15.212 8.517 1.00 0.00 H new ATOM 0 HB2 ASN A 18 13.525 -14.264 8.326 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.927 -13.177 7.088 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.741 -10.956 9.880 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.745 -11.497 8.530 1.00 0.00 H new ATOM 267 N TYR A 19 10.371 -13.901 5.598 1.00 0.00 N ATOM 268 CA TYR A 19 9.224 -13.419 4.811 1.00 0.00 C ATOM 269 C TYR A 19 8.120 -14.491 4.657 1.00 0.00 C ATOM 270 O TYR A 19 6.939 -14.143 4.632 1.00 0.00 O ATOM 271 CB TYR A 19 9.679 -12.950 3.419 1.00 0.00 C ATOM 272 CG TYR A 19 10.865 -12.001 3.304 1.00 0.00 C ATOM 273 CD1 TYR A 19 11.243 -11.130 4.347 1.00 0.00 C ATOM 274 CD2 TYR A 19 11.580 -11.985 2.091 1.00 0.00 C ATOM 275 CE1 TYR A 19 12.365 -10.293 4.195 1.00 0.00 C ATOM 276 CE2 TYR A 19 12.701 -11.151 1.931 1.00 0.00 C ATOM 277 CZ TYR A 19 13.111 -10.322 2.997 1.00 0.00 C ATOM 278 OH TYR A 19 14.232 -9.562 2.877 1.00 0.00 O ATOM 0 H TYR A 19 11.213 -14.045 5.040 1.00 0.00 H new ATOM 0 HA TYR A 19 8.800 -12.580 5.363 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.913 -13.839 2.834 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.826 -12.468 2.940 1.00 0.00 H new ATOM 0 HD1 TYR A 19 10.671 -11.105 5.263 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.265 -12.619 1.276 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.655 -9.628 4.995 1.00 0.00 H new ATOM 0 HE2 TYR A 19 13.245 -11.145 0.998 1.00 0.00 H new ATOM 0 HH TYR A 19 14.762 -9.879 2.116 1.00 0.00 H new ATOM 288 N CYS A 20 8.475 -15.782 4.598 1.00 0.00 N ATOM 289 CA CYS A 20 7.503 -16.889 4.615 1.00 0.00 C ATOM 290 C CYS A 20 6.764 -16.994 5.966 1.00 0.00 C ATOM 291 O CYS A 20 5.558 -17.247 5.993 1.00 0.00 O ATOM 292 CB CYS A 20 8.204 -18.236 4.353 1.00 0.00 C ATOM 293 SG CYS A 20 9.238 -18.389 2.872 1.00 0.00 S ATOM 0 H CYS A 20 9.445 -16.091 4.537 1.00 0.00 H new ATOM 0 HA CYS A 20 6.781 -16.672 3.828 1.00 0.00 H new ATOM 0 HB2 CYS A 20 8.827 -18.461 5.219 1.00 0.00 H new ATOM 0 HB3 CYS A 20 7.435 -19.007 4.304 1.00 0.00 H new ATOM 298 N ASN A 21 7.481 -16.807 7.078 1.00 0.00 N ATOM 299 CA ASN A 21 6.991 -17.082 8.436 1.00 0.00 C ATOM 300 C ASN A 21 6.314 -15.873 9.115 1.00 0.00 C ATOM 301 O ASN A 21 5.337 -16.056 9.849 1.00 0.00 O ATOM 302 CB ASN A 21 8.166 -17.617 9.278 1.00 0.00 C ATOM 303 CG ASN A 21 8.699 -18.976 8.829 1.00 0.00 C ATOM 304 OD1 ASN A 21 8.137 -19.675 7.997 1.00 0.00 O ATOM 305 ND2 ASN A 21 9.798 -19.414 9.399 1.00 0.00 N ATOM 0 H ASN A 21 8.438 -16.453 7.061 1.00 0.00 H new ATOM 0 HA ASN A 21 6.202 -17.831 8.361 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.980 -16.893 9.245 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.847 -17.691 10.318 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.174 -20.328 9.147 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.276 -18.840 10.094 1.00 0.00 H new ATOM 312 N GLY A 22 6.818 -14.652 8.881 1.00 0.00 N ATOM 313 CA GLY A 22 6.263 -13.381 9.376 1.00 0.00 C ATOM 314 C GLY A 22 5.500 -12.629 8.291 1.00 0.00 C ATOM 315 O GLY A 22 6.115 -11.767 7.631 1.00 0.00 O ATOM 316 OXT GLY A 22 4.303 -12.918 8.074 1.00 0.00 O ATOM 0 H GLY A 22 7.658 -14.516 8.319 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.597 -13.579 10.216 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.072 -12.754 9.751 1.00 0.00 H new TER 320 GLY A 22 ATOM 321 N PHE B 1 25.350 -17.896 2.462 1.00 0.00 N ATOM 322 CA PHE B 1 24.668 -17.722 1.155 1.00 0.00 C ATOM 323 C PHE B 1 25.420 -16.716 0.267 1.00 0.00 C ATOM 324 O PHE B 1 26.313 -16.009 0.736 1.00 0.00 O ATOM 325 CB PHE B 1 23.187 -17.322 1.339 1.00 0.00 C ATOM 326 CG PHE B 1 22.361 -17.343 0.059 1.00 0.00 C ATOM 327 CD1 PHE B 1 22.113 -18.559 -0.604 1.00 0.00 C ATOM 328 CD2 PHE B 1 21.879 -16.140 -0.494 1.00 0.00 C ATOM 329 CE1 PHE B 1 21.379 -18.574 -1.802 1.00 0.00 C ATOM 330 CE2 PHE B 1 21.134 -16.154 -1.687 1.00 0.00 C ATOM 331 CZ PHE B 1 20.882 -17.374 -2.344 1.00 0.00 C ATOM 0 H1 PHE B 1 25.762 -18.850 2.515 1.00 0.00 H new ATOM 0 H2 PHE B 1 26.105 -17.187 2.557 1.00 0.00 H new ATOM 0 H3 PHE B 1 24.662 -17.773 3.232 1.00 0.00 H new ATOM 0 HA PHE B 1 24.680 -18.685 0.644 1.00 0.00 H new ATOM 0 HB2 PHE B 1 22.729 -17.997 2.062 1.00 0.00 H new ATOM 0 HB3 PHE B 1 23.145 -16.320 1.767 1.00 0.00 H new ATOM 0 HD1 PHE B 1 22.488 -19.484 -0.191 1.00 0.00 H new ATOM 0 HD2 PHE B 1 22.083 -15.202 0.001 1.00 0.00 H new ATOM 0 HE1 PHE B 1 21.196 -19.510 -2.309 1.00 0.00 H new ATOM 0 HE2 PHE B 1 20.756 -15.230 -2.099 1.00 0.00 H new ATOM 0 HZ PHE B 1 20.310 -17.389 -3.260 1.00 0.00 H new ATOM 343 N VAL B 2 25.076 -16.645 -1.030 1.00 0.00 N ATOM 344 CA VAL B 2 25.691 -15.735 -2.010 1.00 0.00 C ATOM 345 C VAL B 2 25.386 -14.266 -1.671 1.00 0.00 C ATOM 346 O VAL B 2 24.236 -13.898 -1.423 1.00 0.00 O ATOM 347 CB VAL B 2 25.221 -16.079 -3.440 1.00 0.00 C ATOM 348 CG1 VAL B 2 25.943 -15.231 -4.497 1.00 0.00 C ATOM 349 CG2 VAL B 2 25.493 -17.552 -3.794 1.00 0.00 C ATOM 0 H VAL B 2 24.346 -17.232 -1.435 1.00 0.00 H new ATOM 0 HA VAL B 2 26.772 -15.869 -1.963 1.00 0.00 H new ATOM 0 HB VAL B 2 24.150 -15.874 -3.449 1.00 0.00 H new ATOM 0 HG11 VAL B 2 25.584 -15.504 -5.489 1.00 0.00 H new ATOM 0 HG12 VAL B 2 25.742 -14.175 -4.316 1.00 0.00 H new ATOM 0 HG13 VAL B 2 27.016 -15.411 -4.437 1.00 0.00 H new ATOM 0 HG21 VAL B 2 25.147 -17.752 -4.808 1.00 0.00 H new ATOM 0 HG22 VAL B 2 26.563 -17.750 -3.729 1.00 0.00 H new ATOM 0 HG23 VAL B 2 24.962 -18.198 -3.095 1.00 0.00 H new ATOM 359 N ASN B 3 26.406 -13.408 -1.704 1.00 0.00 N ATOM 360 CA ASN B 3 26.322 -11.971 -1.410 1.00 0.00 C ATOM 361 C ASN B 3 25.740 -11.139 -2.582 1.00 0.00 C ATOM 362 O ASN B 3 26.394 -10.240 -3.118 1.00 0.00 O ATOM 363 CB ASN B 3 27.694 -11.488 -0.886 1.00 0.00 C ATOM 364 CG ASN B 3 28.874 -11.817 -1.787 1.00 0.00 C ATOM 365 OD1 ASN B 3 29.641 -12.733 -1.528 1.00 0.00 O ATOM 366 ND2 ASN B 3 29.063 -11.100 -2.868 1.00 0.00 N ATOM 0 H ASN B 3 27.352 -13.703 -1.945 1.00 0.00 H new ATOM 0 HA ASN B 3 25.591 -11.805 -0.618 1.00 0.00 H new ATOM 0 HB2 ASN B 3 27.653 -10.408 -0.745 1.00 0.00 H new ATOM 0 HB3 ASN B 3 27.869 -11.931 0.094 1.00 0.00 H new ATOM 0 HD21 ASN B 3 29.846 -11.308 -3.487 1.00 0.00 H new ATOM 0 HD22 ASN B 3 28.427 -10.334 -3.090 1.00 0.00 H new ATOM 373 N GLN B 4 24.511 -11.459 -2.998 1.00 0.00 N ATOM 374 CA GLN B 4 23.829 -10.876 -4.163 1.00 0.00 C ATOM 375 C GLN B 4 22.473 -10.237 -3.817 1.00 0.00 C ATOM 376 O GLN B 4 21.782 -10.665 -2.892 1.00 0.00 O ATOM 377 CB GLN B 4 23.705 -11.932 -5.278 1.00 0.00 C ATOM 378 CG GLN B 4 22.810 -13.136 -4.915 1.00 0.00 C ATOM 379 CD GLN B 4 22.747 -14.205 -6.008 1.00 0.00 C ATOM 380 OE1 GLN B 4 23.263 -14.069 -7.109 1.00 0.00 O ATOM 381 NE2 GLN B 4 22.108 -15.324 -5.743 1.00 0.00 N ATOM 0 H GLN B 4 23.941 -12.155 -2.517 1.00 0.00 H new ATOM 0 HA GLN B 4 24.444 -10.053 -4.526 1.00 0.00 H new ATOM 0 HB2 GLN B 4 23.306 -11.454 -6.172 1.00 0.00 H new ATOM 0 HB3 GLN B 4 24.701 -12.297 -5.529 1.00 0.00 H new ATOM 0 HG2 GLN B 4 23.181 -13.590 -3.996 1.00 0.00 H new ATOM 0 HG3 GLN B 4 21.801 -12.779 -4.709 1.00 0.00 H new ATOM 0 HE21 GLN B 4 21.671 -15.458 -4.831 1.00 0.00 H new ATOM 0 HE22 GLN B 4 22.050 -16.058 -6.449 1.00 0.00 H new ATOM 390 N HIS B 5 22.077 -9.232 -4.597 1.00 0.00 N ATOM 391 CA HIS B 5 20.742 -8.627 -4.583 1.00 0.00 C ATOM 392 C HIS B 5 19.730 -9.451 -5.401 1.00 0.00 C ATOM 393 O HIS B 5 20.084 -10.128 -6.369 1.00 0.00 O ATOM 394 CB HIS B 5 20.843 -7.194 -5.129 1.00 0.00 C ATOM 395 CG HIS B 5 21.739 -6.318 -4.292 1.00 0.00 C ATOM 396 ND1 HIS B 5 23.031 -5.933 -4.568 1.00 0.00 N ATOM 397 CD2 HIS B 5 21.412 -5.782 -3.081 1.00 0.00 C ATOM 398 CE1 HIS B 5 23.471 -5.184 -3.542 1.00 0.00 C ATOM 399 NE2 HIS B 5 22.514 -5.064 -2.604 1.00 0.00 N ATOM 0 H HIS B 5 22.698 -8.800 -5.281 1.00 0.00 H new ATOM 0 HA HIS B 5 20.376 -8.609 -3.556 1.00 0.00 H new ATOM 0 HB2 HIS B 5 21.222 -7.224 -6.151 1.00 0.00 H new ATOM 0 HB3 HIS B 5 19.847 -6.754 -5.171 1.00 0.00 H new ATOM 0 HD2 HIS B 5 20.464 -5.893 -2.576 1.00 0.00 H new ATOM 0 HE1 HIS B 5 24.454 -4.741 -3.480 1.00 0.00 H new ATOM 0 HE2 HIS B 5 22.579 -4.553 -1.724 1.00 0.00 H new ATOM 407 N LEU B 6 18.454 -9.338 -5.025 1.00 0.00 N ATOM 408 CA LEU B 6 17.290 -9.838 -5.763 1.00 0.00 C ATOM 409 C LEU B 6 16.163 -8.796 -5.709 1.00 0.00 C ATOM 410 O LEU B 6 15.885 -8.228 -4.654 1.00 0.00 O ATOM 411 CB LEU B 6 16.813 -11.173 -5.162 1.00 0.00 C ATOM 412 CG LEU B 6 17.618 -12.418 -5.570 1.00 0.00 C ATOM 413 CD1 LEU B 6 17.157 -13.605 -4.729 1.00 0.00 C ATOM 414 CD2 LEU B 6 17.424 -12.783 -7.044 1.00 0.00 C ATOM 0 H LEU B 6 18.191 -8.873 -4.156 1.00 0.00 H new ATOM 0 HA LEU B 6 17.569 -10.009 -6.803 1.00 0.00 H new ATOM 0 HB2 LEU B 6 16.836 -11.089 -4.075 1.00 0.00 H new ATOM 0 HB3 LEU B 6 15.772 -11.327 -5.448 1.00 0.00 H new ATOM 0 HG LEU B 6 18.671 -12.189 -5.408 1.00 0.00 H new ATOM 0 HD11 LEU B 6 17.723 -14.493 -5.012 1.00 0.00 H new ATOM 0 HD12 LEU B 6 17.323 -13.390 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU B 6 16.095 -13.782 -4.900 1.00 0.00 H new ATOM 0 HD21 LEU B 6 18.014 -13.669 -7.280 1.00 0.00 H new ATOM 0 HD22 LEU B 6 16.370 -12.988 -7.232 1.00 0.00 H new ATOM 0 HD23 LEU B 6 17.750 -11.953 -7.670 1.00 0.00 H new ATOM 426 N CYS B 7 15.498 -8.561 -6.838 1.00 0.00 N ATOM 427 CA CYS B 7 14.417 -7.579 -6.956 1.00 0.00 C ATOM 428 C CYS B 7 13.331 -8.053 -7.941 1.00 0.00 C ATOM 429 O CYS B 7 13.584 -8.923 -8.782 1.00 0.00 O ATOM 430 CB CYS B 7 15.026 -6.235 -7.386 1.00 0.00 C ATOM 431 SG CYS B 7 14.161 -4.780 -6.737 1.00 0.00 S ATOM 0 H CYS B 7 15.696 -9.053 -7.710 1.00 0.00 H new ATOM 0 HA CYS B 7 13.923 -7.460 -5.992 1.00 0.00 H new ATOM 0 HB2 CYS B 7 16.066 -6.200 -7.060 1.00 0.00 H new ATOM 0 HB3 CYS B 7 15.031 -6.184 -8.475 1.00 0.00 H new ATOM 436 N GLY B 8 12.124 -7.493 -7.844 1.00 0.00 N ATOM 437 CA GLY B 8 10.995 -7.825 -8.728 1.00 0.00 C ATOM 438 C GLY B 8 10.646 -9.318 -8.726 1.00 0.00 C ATOM 439 O GLY B 8 10.705 -9.982 -7.689 1.00 0.00 O ATOM 0 H GLY B 8 11.896 -6.788 -7.143 1.00 0.00 H new ATOM 0 HA2 GLY B 8 10.120 -7.253 -8.419 1.00 0.00 H new ATOM 0 HA3 GLY B 8 11.235 -7.516 -9.745 1.00 0.00 H new ATOM 443 N SER B 9 10.302 -9.868 -9.891 1.00 0.00 N ATOM 444 CA SER B 9 9.923 -11.284 -10.039 1.00 0.00 C ATOM 445 C SER B 9 11.051 -12.276 -9.719 1.00 0.00 C ATOM 446 O SER B 9 10.758 -13.406 -9.327 1.00 0.00 O ATOM 447 CB SER B 9 9.370 -11.541 -11.441 1.00 0.00 C ATOM 448 OG SER B 9 10.330 -11.187 -12.430 1.00 0.00 O ATOM 0 H SER B 9 10.277 -9.345 -10.767 1.00 0.00 H new ATOM 0 HA SER B 9 9.150 -11.465 -9.292 1.00 0.00 H new ATOM 0 HB2 SER B 9 9.103 -12.593 -11.545 1.00 0.00 H new ATOM 0 HB3 SER B 9 8.457 -10.964 -11.589 1.00 0.00 H new ATOM 0 HG SER B 9 9.960 -11.359 -13.321 1.00 0.00 H new ATOM 454 N HIS B 10 12.327 -11.872 -9.790 1.00 0.00 N ATOM 455 CA HIS B 10 13.459 -12.707 -9.361 1.00 0.00 C ATOM 456 C HIS B 10 13.414 -12.974 -7.849 1.00 0.00 C ATOM 457 O HIS B 10 13.637 -14.100 -7.400 1.00 0.00 O ATOM 458 CB HIS B 10 14.794 -12.042 -9.729 1.00 0.00 C ATOM 459 CG HIS B 10 14.885 -11.522 -11.142 1.00 0.00 C ATOM 460 ND1 HIS B 10 14.710 -12.246 -12.300 1.00 0.00 N ATOM 461 CD2 HIS B 10 15.154 -10.231 -11.510 1.00 0.00 C ATOM 462 CE1 HIS B 10 14.865 -11.414 -13.343 1.00 0.00 C ATOM 463 NE2 HIS B 10 15.143 -10.170 -12.909 1.00 0.00 N ATOM 0 H HIS B 10 12.604 -10.957 -10.146 1.00 0.00 H new ATOM 0 HA HIS B 10 13.378 -13.660 -9.883 1.00 0.00 H new ATOM 0 HB2 HIS B 10 14.971 -11.214 -9.042 1.00 0.00 H new ATOM 0 HB3 HIS B 10 15.596 -12.763 -9.572 1.00 0.00 H new ATOM 0 HD2 HIS B 10 15.342 -9.405 -10.840 1.00 0.00 H new ATOM 0 HE1 HIS B 10 14.779 -11.701 -14.380 1.00 0.00 H new ATOM 0 HE2 HIS B 10 15.312 -9.346 -13.486 1.00 0.00 H new ATOM 471 N LEU B 11 13.066 -11.948 -7.065 1.00 0.00 N ATOM 472 CA LEU B 11 12.895 -12.053 -5.616 1.00 0.00 C ATOM 473 C LEU B 11 11.645 -12.868 -5.254 1.00 0.00 C ATOM 474 O LEU B 11 11.705 -13.710 -4.359 1.00 0.00 O ATOM 475 CB LEU B 11 12.850 -10.630 -5.023 1.00 0.00 C ATOM 476 CG LEU B 11 12.698 -10.562 -3.492 1.00 0.00 C ATOM 477 CD1 LEU B 11 13.758 -11.375 -2.751 1.00 0.00 C ATOM 478 CD2 LEU B 11 12.813 -9.115 -3.039 1.00 0.00 C ATOM 0 H LEU B 11 12.893 -11.010 -7.426 1.00 0.00 H new ATOM 0 HA LEU B 11 13.739 -12.592 -5.186 1.00 0.00 H new ATOM 0 HB2 LEU B 11 13.764 -10.107 -5.305 1.00 0.00 H new ATOM 0 HB3 LEU B 11 12.020 -10.090 -5.479 1.00 0.00 H new ATOM 0 HG LEU B 11 11.721 -10.984 -3.254 1.00 0.00 H new ATOM 0 HD11 LEU B 11 13.598 -11.288 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU B 11 13.685 -12.422 -3.045 1.00 0.00 H new ATOM 0 HD13 LEU B 11 14.749 -10.996 -3.002 1.00 0.00 H new ATOM 0 HD21 LEU B 11 12.706 -9.063 -1.956 1.00 0.00 H new ATOM 0 HD22 LEU B 11 13.787 -8.720 -3.326 1.00 0.00 H new ATOM 0 HD23 LEU B 11 12.028 -8.523 -3.510 1.00 0.00 H new ATOM 490 N VAL B 12 10.536 -12.671 -5.981 1.00 0.00 N ATOM 491 CA VAL B 12 9.298 -13.455 -5.793 1.00 0.00 C ATOM 492 C VAL B 12 9.546 -14.936 -6.084 1.00 0.00 C ATOM 493 O VAL B 12 9.128 -15.778 -5.300 1.00 0.00 O ATOM 494 CB VAL B 12 8.124 -12.907 -6.632 1.00 0.00 C ATOM 495 CG1 VAL B 12 6.842 -13.731 -6.443 1.00 0.00 C ATOM 496 CG2 VAL B 12 7.797 -11.459 -6.240 1.00 0.00 C ATOM 0 H VAL B 12 10.468 -11.966 -6.715 1.00 0.00 H new ATOM 0 HA VAL B 12 9.007 -13.355 -4.747 1.00 0.00 H new ATOM 0 HB VAL B 12 8.448 -12.965 -7.671 1.00 0.00 H new ATOM 0 HG11 VAL B 12 6.044 -13.307 -7.053 1.00 0.00 H new ATOM 0 HG12 VAL B 12 7.024 -14.762 -6.748 1.00 0.00 H new ATOM 0 HG13 VAL B 12 6.547 -13.710 -5.394 1.00 0.00 H new ATOM 0 HG21 VAL B 12 6.966 -11.097 -6.846 1.00 0.00 H new ATOM 0 HG22 VAL B 12 7.521 -11.421 -5.186 1.00 0.00 H new ATOM 0 HG23 VAL B 12 8.671 -10.830 -6.409 1.00 0.00 H new ATOM 506 N GLU B 13 10.266 -15.279 -7.157 1.00 0.00 N ATOM 507 CA GLU B 13 10.596 -16.666 -7.504 1.00 0.00 C ATOM 508 C GLU B 13 11.528 -17.318 -6.467 1.00 0.00 C ATOM 509 O GLU B 13 11.273 -18.447 -6.039 1.00 0.00 O ATOM 510 CB GLU B 13 11.210 -16.707 -8.913 1.00 0.00 C ATOM 511 CG GLU B 13 11.485 -18.136 -9.397 1.00 0.00 C ATOM 512 CD GLU B 13 11.956 -18.145 -10.864 1.00 0.00 C ATOM 513 OE1 GLU B 13 13.184 -18.058 -11.113 1.00 0.00 O ATOM 514 OE2 GLU B 13 11.104 -18.242 -11.779 1.00 0.00 O ATOM 0 H GLU B 13 10.640 -14.596 -7.815 1.00 0.00 H new ATOM 0 HA GLU B 13 9.676 -17.250 -7.497 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.536 -16.214 -9.613 1.00 0.00 H new ATOM 0 HB3 GLU B 13 12.142 -16.141 -8.916 1.00 0.00 H new ATOM 0 HG2 GLU B 13 12.244 -18.597 -8.765 1.00 0.00 H new ATOM 0 HG3 GLU B 13 10.581 -18.737 -9.299 1.00 0.00 H new ATOM 521 N ALA B 14 12.557 -16.606 -5.990 1.00 0.00 N ATOM 522 CA ALA B 14 13.425 -17.091 -4.915 1.00 0.00 C ATOM 523 C ALA B 14 12.636 -17.347 -3.618 1.00 0.00 C ATOM 524 O ALA B 14 12.789 -18.395 -2.992 1.00 0.00 O ATOM 525 CB ALA B 14 14.540 -16.066 -4.693 1.00 0.00 C ATOM 0 H ALA B 14 12.809 -15.681 -6.338 1.00 0.00 H new ATOM 0 HA ALA B 14 13.857 -18.048 -5.206 1.00 0.00 H new ATOM 0 HB1 ALA B 14 15.197 -16.411 -3.895 1.00 0.00 H new ATOM 0 HB2 ALA B 14 15.115 -15.949 -5.612 1.00 0.00 H new ATOM 0 HB3 ALA B 14 14.103 -15.107 -4.414 1.00 0.00 H new ATOM 531 N LEU B 15 11.730 -16.432 -3.253 1.00 0.00 N ATOM 532 CA LEU B 15 10.826 -16.593 -2.118 1.00 0.00 C ATOM 533 C LEU B 15 9.869 -17.781 -2.316 1.00 0.00 C ATOM 534 O LEU B 15 9.686 -18.564 -1.389 1.00 0.00 O ATOM 535 CB LEU B 15 10.080 -15.266 -1.875 1.00 0.00 C ATOM 536 CG LEU B 15 9.213 -15.249 -0.605 1.00 0.00 C ATOM 537 CD1 LEU B 15 10.002 -15.585 0.656 1.00 0.00 C ATOM 538 CD2 LEU B 15 8.598 -13.863 -0.411 1.00 0.00 C ATOM 0 H LEU B 15 11.606 -15.548 -3.747 1.00 0.00 H new ATOM 0 HA LEU B 15 11.406 -16.830 -1.226 1.00 0.00 H new ATOM 0 HB2 LEU B 15 10.810 -14.459 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU B 15 9.446 -15.057 -2.736 1.00 0.00 H new ATOM 0 HG LEU B 15 8.447 -16.011 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU B 15 9.337 -15.557 1.519 1.00 0.00 H new ATOM 0 HD12 LEU B 15 10.432 -16.582 0.561 1.00 0.00 H new ATOM 0 HD13 LEU B 15 10.801 -14.856 0.790 1.00 0.00 H new ATOM 0 HD21 LEU B 15 7.985 -13.860 0.491 1.00 0.00 H new ATOM 0 HD22 LEU B 15 9.392 -13.123 -0.313 1.00 0.00 H new ATOM 0 HD23 LEU B 15 7.977 -13.617 -1.272 1.00 0.00 H new ATOM 550 N TYR B 16 9.332 -17.985 -3.522 1.00 0.00 N ATOM 551 CA TYR B 16 8.469 -19.125 -3.855 1.00 0.00 C ATOM 552 C TYR B 16 9.183 -20.466 -3.631 1.00 0.00 C ATOM 553 O TYR B 16 8.609 -21.385 -3.042 1.00 0.00 O ATOM 554 CB TYR B 16 7.979 -18.991 -5.308 1.00 0.00 C ATOM 555 CG TYR B 16 6.600 -19.567 -5.589 1.00 0.00 C ATOM 556 CD1 TYR B 16 6.378 -20.959 -5.533 1.00 0.00 C ATOM 557 CD2 TYR B 16 5.542 -18.700 -5.937 1.00 0.00 C ATOM 558 CE1 TYR B 16 5.097 -21.478 -5.803 1.00 0.00 C ATOM 559 CE2 TYR B 16 4.261 -19.217 -6.206 1.00 0.00 C ATOM 560 CZ TYR B 16 4.034 -20.610 -6.138 1.00 0.00 C ATOM 561 OH TYR B 16 2.803 -21.121 -6.410 1.00 0.00 O ATOM 0 H TYR B 16 9.486 -17.353 -4.308 1.00 0.00 H new ATOM 0 HA TYR B 16 7.609 -19.114 -3.186 1.00 0.00 H new ATOM 0 HB2 TYR B 16 7.974 -17.934 -5.575 1.00 0.00 H new ATOM 0 HB3 TYR B 16 8.699 -19.482 -5.963 1.00 0.00 H new ATOM 0 HD1 TYR B 16 7.190 -21.626 -5.283 1.00 0.00 H new ATOM 0 HD2 TYR B 16 5.716 -17.636 -5.997 1.00 0.00 H new ATOM 0 HE1 TYR B 16 4.927 -22.543 -5.754 1.00 0.00 H new ATOM 0 HE2 TYR B 16 3.452 -18.550 -6.464 1.00 0.00 H new ATOM 0 HH TYR B 16 2.185 -20.390 -6.621 1.00 0.00 H new ATOM 571 N LEU B 17 10.452 -20.557 -4.039 1.00 0.00 N ATOM 572 CA LEU B 17 11.299 -21.737 -3.857 1.00 0.00 C ATOM 573 C LEU B 17 11.731 -21.949 -2.395 1.00 0.00 C ATOM 574 O LEU B 17 11.815 -23.095 -1.951 1.00 0.00 O ATOM 575 CB LEU B 17 12.520 -21.614 -4.786 1.00 0.00 C ATOM 576 CG LEU B 17 12.199 -21.709 -6.293 1.00 0.00 C ATOM 577 CD1 LEU B 17 13.437 -21.329 -7.108 1.00 0.00 C ATOM 578 CD2 LEU B 17 11.772 -23.121 -6.707 1.00 0.00 C ATOM 0 H LEU B 17 10.930 -19.793 -4.517 1.00 0.00 H new ATOM 0 HA LEU B 17 10.715 -22.619 -4.119 1.00 0.00 H new ATOM 0 HB2 LEU B 17 13.011 -20.660 -4.593 1.00 0.00 H new ATOM 0 HB3 LEU B 17 13.234 -22.397 -4.531 1.00 0.00 H new ATOM 0 HG LEU B 17 11.373 -21.025 -6.487 1.00 0.00 H new ATOM 0 HD11 LEU B 17 13.208 -21.397 -8.171 1.00 0.00 H new ATOM 0 HD12 LEU B 17 13.733 -20.309 -6.865 1.00 0.00 H new ATOM 0 HD13 LEU B 17 14.253 -22.010 -6.869 1.00 0.00 H new ATOM 0 HD21 LEU B 17 11.557 -23.137 -7.775 1.00 0.00 H new ATOM 0 HD22 LEU B 17 12.576 -23.823 -6.488 1.00 0.00 H new ATOM 0 HD23 LEU B 17 10.879 -23.408 -6.153 1.00 0.00 H new ATOM 590 N VAL B 18 11.951 -20.873 -1.628 1.00 0.00 N ATOM 591 CA VAL B 18 12.283 -20.945 -0.191 1.00 0.00 C ATOM 592 C VAL B 18 11.061 -21.306 0.671 1.00 0.00 C ATOM 593 O VAL B 18 11.191 -22.125 1.583 1.00 0.00 O ATOM 594 CB VAL B 18 12.994 -19.654 0.278 1.00 0.00 C ATOM 595 CG1 VAL B 18 13.125 -19.612 1.801 1.00 0.00 C ATOM 596 CG2 VAL B 18 14.414 -19.614 -0.297 1.00 0.00 C ATOM 0 H VAL B 18 11.904 -19.919 -1.986 1.00 0.00 H new ATOM 0 HA VAL B 18 12.989 -21.764 -0.053 1.00 0.00 H new ATOM 0 HB VAL B 18 12.397 -18.809 -0.065 1.00 0.00 H new ATOM 0 HG11 VAL B 18 13.629 -18.692 2.098 1.00 0.00 H new ATOM 0 HG12 VAL B 18 12.133 -19.644 2.253 1.00 0.00 H new ATOM 0 HG13 VAL B 18 13.706 -20.470 2.140 1.00 0.00 H new ATOM 0 HG21 VAL B 18 14.915 -18.704 0.034 1.00 0.00 H new ATOM 0 HG22 VAL B 18 14.972 -20.483 0.052 1.00 0.00 H new ATOM 0 HG23 VAL B 18 14.366 -19.627 -1.386 1.00 0.00 H new ATOM 606 N CYS B 19 9.869 -20.774 0.371 1.00 0.00 N ATOM 607 CA CYS B 19 8.640 -21.132 1.096 1.00 0.00 C ATOM 608 C CYS B 19 8.130 -22.529 0.696 1.00 0.00 C ATOM 609 O CYS B 19 7.620 -23.265 1.544 1.00 0.00 O ATOM 610 CB CYS B 19 7.547 -20.065 0.894 1.00 0.00 C ATOM 611 SG CYS B 19 7.961 -18.338 1.291 1.00 0.00 S ATOM 0 H CYS B 19 9.728 -20.090 -0.373 1.00 0.00 H new ATOM 0 HA CYS B 19 8.886 -21.167 2.157 1.00 0.00 H new ATOM 0 HB2 CYS B 19 7.232 -20.102 -0.149 1.00 0.00 H new ATOM 0 HB3 CYS B 19 6.686 -20.350 1.498 1.00 0.00 H new ATOM 616 N GLY B 20 8.270 -22.916 -0.578 1.00 0.00 N ATOM 617 CA GLY B 20 7.827 -24.213 -1.099 1.00 0.00 C ATOM 618 C GLY B 20 6.306 -24.313 -1.262 1.00 0.00 C ATOM 619 O GLY B 20 5.679 -25.198 -0.682 1.00 0.00 O ATOM 0 H GLY B 20 8.702 -22.325 -1.288 1.00 0.00 H new ATOM 0 HA2 GLY B 20 8.301 -24.390 -2.064 1.00 0.00 H new ATOM 0 HA3 GLY B 20 8.166 -25.002 -0.427 1.00 0.00 H new ATOM 623 N GLU B 21 5.713 -23.376 -2.019 1.00 0.00 N ATOM 624 CA GLU B 21 4.263 -23.314 -2.310 1.00 0.00 C ATOM 625 C GLU B 21 3.380 -23.214 -1.036 1.00 0.00 C ATOM 626 O GLU B 21 2.303 -23.804 -0.934 1.00 0.00 O ATOM 627 CB GLU B 21 3.878 -24.454 -3.278 1.00 0.00 C ATOM 628 CG GLU B 21 2.606 -24.170 -4.095 1.00 0.00 C ATOM 629 CD GLU B 21 2.269 -25.360 -5.013 1.00 0.00 C ATOM 630 OE1 GLU B 21 2.888 -25.497 -6.098 1.00 0.00 O ATOM 631 OE2 GLU B 21 1.375 -26.173 -4.664 1.00 0.00 O ATOM 0 H GLU B 21 6.238 -22.620 -2.459 1.00 0.00 H new ATOM 0 HA GLU B 21 4.051 -22.375 -2.822 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.707 -24.632 -3.963 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.735 -25.371 -2.706 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.771 -23.977 -3.421 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.747 -23.271 -4.695 1.00 0.00 H new ATOM 638 N ARG B 22 3.857 -22.466 -0.027 1.00 0.00 N ATOM 639 CA ARG B 22 3.282 -22.395 1.330 1.00 0.00 C ATOM 640 C ARG B 22 1.991 -21.565 1.458 1.00 0.00 C ATOM 641 O ARG B 22 1.341 -21.614 2.503 1.00 0.00 O ATOM 642 CB ARG B 22 4.376 -21.846 2.270 1.00 0.00 C ATOM 643 CG ARG B 22 4.286 -22.306 3.737 1.00 0.00 C ATOM 644 CD ARG B 22 4.406 -23.825 3.939 1.00 0.00 C ATOM 645 NE ARG B 22 5.617 -24.374 3.300 1.00 0.00 N ATOM 646 CZ ARG B 22 5.999 -25.634 3.249 1.00 0.00 C ATOM 647 NH1 ARG B 22 5.335 -26.597 3.825 1.00 0.00 N ATOM 648 NH2 ARG B 22 7.086 -25.931 2.604 1.00 0.00 N ATOM 0 H ARG B 22 4.681 -21.874 -0.135 1.00 0.00 H new ATOM 0 HA ARG B 22 2.972 -23.404 1.601 1.00 0.00 H new ATOM 0 HB2 ARG B 22 5.349 -22.139 1.875 1.00 0.00 H new ATOM 0 HB3 ARG B 22 4.337 -20.757 2.247 1.00 0.00 H new ATOM 0 HG2 ARG B 22 5.073 -21.813 4.308 1.00 0.00 H new ATOM 0 HG3 ARG B 22 3.335 -21.971 4.151 1.00 0.00 H new ATOM 0 HD2 ARG B 22 4.426 -24.048 5.006 1.00 0.00 H new ATOM 0 HD3 ARG B 22 3.524 -24.316 3.527 1.00 0.00 H new ATOM 0 HE ARG B 22 6.231 -23.699 2.844 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.481 -26.389 4.342 1.00 0.00 H new ATOM 0 HH12 ARG B 22 5.670 -27.558 3.758 1.00 0.00 H new ATOM 0 HH21 ARG B 22 7.626 -25.195 2.149 1.00 0.00 H new ATOM 0 HH22 ARG B 22 7.400 -26.900 2.552 1.00 0.00 H new ATOM 662 N GLY B 23 1.642 -20.787 0.431 1.00 0.00 N ATOM 663 CA GLY B 23 0.568 -19.781 0.491 1.00 0.00 C ATOM 664 C GLY B 23 1.015 -18.460 1.140 1.00 0.00 C ATOM 665 O GLY B 23 0.238 -17.808 1.839 1.00 0.00 O ATOM 0 H GLY B 23 2.100 -20.835 -0.479 1.00 0.00 H new ATOM 0 HA2 GLY B 23 0.210 -19.580 -0.519 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -0.273 -20.189 1.052 1.00 0.00 H new ATOM 669 N PHE B 24 2.286 -18.101 0.946 1.00 0.00 N ATOM 670 CA PHE B 24 2.919 -16.867 1.416 1.00 0.00 C ATOM 671 C PHE B 24 2.452 -15.627 0.624 1.00 0.00 C ATOM 672 O PHE B 24 1.790 -15.733 -0.415 1.00 0.00 O ATOM 673 CB PHE B 24 4.448 -17.039 1.317 1.00 0.00 C ATOM 674 CG PHE B 24 4.992 -17.000 -0.105 1.00 0.00 C ATOM 675 CD1 PHE B 24 4.945 -18.152 -0.917 1.00 0.00 C ATOM 676 CD2 PHE B 24 5.483 -15.791 -0.641 1.00 0.00 C ATOM 677 CE1 PHE B 24 5.356 -18.081 -2.262 1.00 0.00 C ATOM 678 CE2 PHE B 24 5.897 -15.723 -1.981 1.00 0.00 C ATOM 679 CZ PHE B 24 5.837 -16.870 -2.792 1.00 0.00 C ATOM 0 H PHE B 24 2.935 -18.695 0.430 1.00 0.00 H new ATOM 0 HA PHE B 24 2.623 -16.693 2.451 1.00 0.00 H new ATOM 0 HB2 PHE B 24 4.929 -16.253 1.899 1.00 0.00 H new ATOM 0 HB3 PHE B 24 4.725 -17.989 1.774 1.00 0.00 H new ATOM 0 HD1 PHE B 24 4.594 -19.088 -0.508 1.00 0.00 H new ATOM 0 HD2 PHE B 24 5.541 -14.912 -0.016 1.00 0.00 H new ATOM 0 HE1 PHE B 24 5.302 -18.959 -2.889 1.00 0.00 H new ATOM 0 HE2 PHE B 24 6.261 -14.791 -2.388 1.00 0.00 H new ATOM 0 HZ PHE B 24 6.160 -16.821 -3.821 1.00 0.00 H new ATOM 689 N PHE B 25 2.863 -14.451 1.096 1.00 0.00 N ATOM 690 CA PHE B 25 2.729 -13.168 0.396 1.00 0.00 C ATOM 691 C PHE B 25 4.069 -12.416 0.374 1.00 0.00 C ATOM 692 O PHE B 25 4.726 -12.271 1.408 1.00 0.00 O ATOM 693 CB PHE B 25 1.633 -12.319 1.058 1.00 0.00 C ATOM 694 CG PHE B 25 0.237 -12.912 0.976 1.00 0.00 C ATOM 695 CD1 PHE B 25 -0.554 -12.701 -0.169 1.00 0.00 C ATOM 696 CD2 PHE B 25 -0.272 -13.683 2.040 1.00 0.00 C ATOM 697 CE1 PHE B 25 -1.848 -13.249 -0.245 1.00 0.00 C ATOM 698 CE2 PHE B 25 -1.563 -14.239 1.959 1.00 0.00 C ATOM 699 CZ PHE B 25 -2.352 -14.018 0.819 1.00 0.00 C ATOM 0 H PHE B 25 3.314 -14.359 2.006 1.00 0.00 H new ATOM 0 HA PHE B 25 2.440 -13.362 -0.637 1.00 0.00 H new ATOM 0 HB2 PHE B 25 1.890 -12.172 2.107 1.00 0.00 H new ATOM 0 HB3 PHE B 25 1.623 -11.334 0.591 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -0.167 -12.117 -0.991 1.00 0.00 H new ATOM 0 HD2 PHE B 25 0.330 -13.848 2.921 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -2.455 -13.079 -1.122 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -1.946 -14.835 2.774 1.00 0.00 H new ATOM 0 HZ PHE B 25 -3.345 -14.438 0.759 1.00 0.00 H new ATOM 709 N TYR B 26 4.470 -11.913 -0.799 1.00 0.00 N ATOM 710 CA TYR B 26 5.657 -11.059 -0.962 1.00 0.00 C ATOM 711 C TYR B 26 5.367 -9.572 -0.681 1.00 0.00 C ATOM 712 O TYR B 26 6.285 -8.795 -0.425 1.00 0.00 O ATOM 713 CB TYR B 26 6.244 -11.267 -2.365 1.00 0.00 C ATOM 714 CG TYR B 26 5.335 -10.868 -3.512 1.00 0.00 C ATOM 715 CD1 TYR B 26 5.293 -9.528 -3.951 1.00 0.00 C ATOM 716 CD2 TYR B 26 4.531 -11.837 -4.147 1.00 0.00 C ATOM 717 CE1 TYR B 26 4.452 -9.156 -5.018 1.00 0.00 C ATOM 718 CE2 TYR B 26 3.691 -11.471 -5.216 1.00 0.00 C ATOM 719 CZ TYR B 26 3.650 -10.129 -5.654 1.00 0.00 C ATOM 720 OH TYR B 26 2.839 -9.784 -6.691 1.00 0.00 O ATOM 0 H TYR B 26 3.975 -12.088 -1.673 1.00 0.00 H new ATOM 0 HA TYR B 26 6.393 -11.358 -0.216 1.00 0.00 H new ATOM 0 HB2 TYR B 26 7.170 -10.698 -2.442 1.00 0.00 H new ATOM 0 HB3 TYR B 26 6.506 -12.319 -2.479 1.00 0.00 H new ATOM 0 HD1 TYR B 26 5.908 -8.784 -3.467 1.00 0.00 H new ATOM 0 HD2 TYR B 26 4.560 -12.863 -3.812 1.00 0.00 H new ATOM 0 HE1 TYR B 26 4.421 -8.128 -5.349 1.00 0.00 H new ATOM 0 HE2 TYR B 26 3.078 -12.216 -5.701 1.00 0.00 H new ATOM 0 HH TYR B 26 2.360 -10.577 -7.010 1.00 0.00 H new ATOM 730 N THR B 27 4.094 -9.164 -0.697 1.00 0.00 N ATOM 731 CA THR B 27 3.646 -7.810 -0.329 1.00 0.00 C ATOM 732 C THR B 27 4.010 -7.498 1.134 1.00 0.00 C ATOM 733 O THR B 27 3.813 -8.368 1.992 1.00 0.00 O ATOM 734 CB THR B 27 2.121 -7.680 -0.509 1.00 0.00 C ATOM 735 OG1 THR B 27 1.744 -8.169 -1.782 1.00 0.00 O ATOM 736 CG2 THR B 27 1.624 -6.235 -0.417 1.00 0.00 C ATOM 0 H THR B 27 3.326 -9.777 -0.972 1.00 0.00 H new ATOM 0 HA THR B 27 4.150 -7.100 -0.984 1.00 0.00 H new ATOM 0 HB THR B 27 1.674 -8.256 0.301 1.00 0.00 H new ATOM 0 HG1 THR B 27 0.774 -8.086 -1.890 1.00 0.00 H new ATOM 0 HG21 THR B 27 0.543 -6.213 -0.552 1.00 0.00 H new ATOM 0 HG22 THR B 27 1.876 -5.825 0.561 1.00 0.00 H new ATOM 0 HG23 THR B 27 2.099 -5.637 -1.194 1.00 0.00 H new ATOM 744 N PRO B 28 4.502 -6.283 1.462 1.00 0.00 N ATOM 745 CA PRO B 28 4.731 -5.857 2.844 1.00 0.00 C ATOM 746 C PRO B 28 3.493 -6.031 3.744 1.00 0.00 C ATOM 747 O PRO B 28 2.371 -5.698 3.353 1.00 0.00 O ATOM 748 CB PRO B 28 5.184 -4.396 2.757 1.00 0.00 C ATOM 749 CG PRO B 28 5.841 -4.323 1.380 1.00 0.00 C ATOM 750 CD PRO B 28 4.972 -5.258 0.542 1.00 0.00 C ATOM 0 HA PRO B 28 5.487 -6.483 3.318 1.00 0.00 H new ATOM 0 HB2 PRO B 28 4.344 -3.707 2.840 1.00 0.00 H new ATOM 0 HB3 PRO B 28 5.884 -4.142 3.553 1.00 0.00 H new ATOM 0 HG2 PRO B 28 5.840 -3.307 0.985 1.00 0.00 H new ATOM 0 HG3 PRO B 28 6.879 -4.653 1.409 1.00 0.00 H new ATOM 0 HD2 PRO B 28 4.136 -4.720 0.094 1.00 0.00 H new ATOM 0 HD3 PRO B 28 5.544 -5.697 -0.276 1.00 0.00 H new ATOM 758 N LYS B 29 3.704 -6.566 4.954 1.00 0.00 N ATOM 759 CA LYS B 29 2.635 -7.016 5.868 1.00 0.00 C ATOM 760 C LYS B 29 2.172 -5.929 6.854 1.00 0.00 C ATOM 761 O LYS B 29 1.117 -6.068 7.476 1.00 0.00 O ATOM 762 CB LYS B 29 3.063 -8.303 6.605 1.00 0.00 C ATOM 763 CG LYS B 29 3.292 -9.541 5.708 1.00 0.00 C ATOM 764 CD LYS B 29 4.704 -9.633 5.097 1.00 0.00 C ATOM 765 CE LYS B 29 4.944 -10.915 4.281 1.00 0.00 C ATOM 766 NZ LYS B 29 4.966 -12.123 5.137 1.00 0.00 N ATOM 0 H LYS B 29 4.640 -6.703 5.336 1.00 0.00 H new ATOM 0 HA LYS B 29 1.766 -7.236 5.248 1.00 0.00 H new ATOM 0 HB2 LYS B 29 3.983 -8.098 7.152 1.00 0.00 H new ATOM 0 HB3 LYS B 29 2.300 -8.548 7.344 1.00 0.00 H new ATOM 0 HG2 LYS B 29 3.104 -10.440 6.296 1.00 0.00 H new ATOM 0 HG3 LYS B 29 2.560 -9.530 4.900 1.00 0.00 H new ATOM 0 HD2 LYS B 29 4.869 -8.768 4.455 1.00 0.00 H new ATOM 0 HD3 LYS B 29 5.441 -9.580 5.898 1.00 0.00 H new ATOM 0 HE2 LYS B 29 4.161 -11.018 3.529 1.00 0.00 H new ATOM 0 HE3 LYS B 29 5.890 -10.832 3.747 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 5.452 -12.894 4.636 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 5.471 -11.913 6.022 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 3.991 -12.412 5.355 1.00 0.00 H new ATOM 780 N THR B 30 2.943 -4.850 6.996 1.00 0.00 N ATOM 781 CA THR B 30 2.661 -3.698 7.874 1.00 0.00 C ATOM 782 C THR B 30 1.727 -2.668 7.222 1.00 0.00 C ATOM 783 O THR B 30 1.622 -2.580 5.993 1.00 0.00 O ATOM 784 CB THR B 30 3.970 -3.018 8.319 1.00 0.00 C ATOM 785 OG1 THR B 30 4.793 -2.744 7.201 1.00 0.00 O ATOM 786 CG2 THR B 30 4.773 -3.913 9.264 1.00 0.00 C ATOM 0 H THR B 30 3.819 -4.744 6.484 1.00 0.00 H new ATOM 0 HA THR B 30 2.144 -4.094 8.748 1.00 0.00 H new ATOM 0 HB THR B 30 3.686 -2.097 8.829 1.00 0.00 H new ATOM 0 HG1 THR B 30 5.619 -2.311 7.501 1.00 0.00 H new ATOM 0 HG21 THR B 30 5.690 -3.402 9.558 1.00 0.00 H new ATOM 0 HG22 THR B 30 4.179 -4.131 10.151 1.00 0.00 H new ATOM 0 HG23 THR B 30 5.024 -4.845 8.757 1.00 0.00 H new ATOM 794 N LYS B 31 1.030 -1.877 8.055 1.00 0.00 N ATOM 795 CA LYS B 31 0.106 -0.801 7.648 1.00 0.00 C ATOM 796 C LYS B 31 0.169 0.381 8.630 1.00 0.00 C ATOM 797 O LYS B 31 0.334 0.174 9.835 1.00 0.00 O ATOM 798 CB LYS B 31 -1.316 -1.388 7.537 1.00 0.00 C ATOM 799 CG LYS B 31 -2.339 -0.408 6.932 1.00 0.00 C ATOM 800 CD LYS B 31 -3.744 -1.010 6.781 1.00 0.00 C ATOM 801 CE LYS B 31 -3.789 -2.145 5.751 1.00 0.00 C ATOM 802 NZ LYS B 31 -5.169 -2.664 5.571 1.00 0.00 N ATOM 0 H LYS B 31 1.096 -1.972 9.068 1.00 0.00 H new ATOM 0 HA LYS B 31 0.400 -0.407 6.675 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -1.282 -2.289 6.925 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -1.655 -1.689 8.528 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -2.398 0.479 7.562 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -1.984 -0.082 5.954 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -4.080 -1.387 7.747 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -4.441 -0.227 6.484 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -3.407 -1.786 4.795 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -3.134 -2.955 6.072 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -5.163 -3.430 4.868 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -5.524 -3.029 6.478 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -5.788 -1.896 5.241 1.00 0.00 H new ATOM 816 N ARG B 32 0.031 1.609 8.108 1.00 0.00 N ATOM 817 CA ARG B 32 0.008 2.880 8.862 1.00 0.00 C ATOM 818 C ARG B 32 -0.979 3.881 8.244 1.00 0.00 C ATOM 819 O ARG B 32 -0.883 4.145 7.023 1.00 0.00 O ATOM 820 CB ARG B 32 1.438 3.447 8.951 1.00 0.00 C ATOM 821 CG ARG B 32 1.527 4.689 9.853 1.00 0.00 C ATOM 822 CD ARG B 32 2.970 5.194 10.008 1.00 0.00 C ATOM 823 NE ARG B 32 3.524 5.727 8.748 1.00 0.00 N ATOM 824 CZ ARG B 32 4.740 6.204 8.558 1.00 0.00 C ATOM 825 NH1 ARG B 32 5.620 6.268 9.515 1.00 0.00 N ATOM 826 NH2 ARG B 32 5.098 6.633 7.385 1.00 0.00 N ATOM 827 OXT ARG B 32 -1.854 4.379 8.987 1.00 0.00 O ATOM 0 H ARG B 32 -0.073 1.754 7.104 1.00 0.00 H new ATOM 0 HA ARG B 32 -0.348 2.691 9.875 1.00 0.00 H new ATOM 0 HB2 ARG B 32 2.107 2.676 9.333 1.00 0.00 H new ATOM 0 HB3 ARG B 32 1.786 3.704 7.950 1.00 0.00 H new ATOM 0 HG2 ARG B 32 0.909 5.484 9.435 1.00 0.00 H new ATOM 0 HG3 ARG B 32 1.120 4.452 10.836 1.00 0.00 H new ATOM 0 HD2 ARG B 32 2.999 5.972 10.771 1.00 0.00 H new ATOM 0 HD3 ARG B 32 3.600 4.378 10.361 1.00 0.00 H new ATOM 0 HE ARG B 32 2.902 5.727 7.940 1.00 0.00 H new ATOM 0 HH11 ARG B 32 5.380 5.943 10.451 1.00 0.00 H new ATOM 0 HH12 ARG B 32 6.550 6.643 9.328 1.00 0.00 H new ATOM 0 HH21 ARG B 32 4.439 6.602 6.607 1.00 0.00 H new ATOM 0 HH22 ARG B 32 6.038 7.001 7.242 1.00 0.00 H new TER 841 ARG B 32