USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 404 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 VAL N :NH3+ 173:sc= 0 (180deg=-0.0549) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 11 SER OG : rot -122:sc= 0.982 USER MOD Single : A 12 HIS : no HD1:sc= -0.0438 X(o=-0.044,f=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.318 K(o=-0.32,f=-2.1!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot -21:sc= 1.25 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.0235 X(o=-0.024,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.298 17.788 7.823 1.00 0.00 N ATOM 2 CA VAL A 1 5.022 18.501 8.063 1.00 0.00 C ATOM 3 C VAL A 1 3.916 17.963 7.222 1.00 0.00 C ATOM 4 O VAL A 1 4.130 17.618 6.061 1.00 0.00 O ATOM 5 CB VAL A 1 5.221 19.980 7.904 1.00 0.00 C ATOM 6 CG1 VAL A 1 5.645 20.379 6.481 1.00 0.00 C ATOM 7 CG2 VAL A 1 3.964 20.752 8.337 1.00 0.00 C ATOM 0 H1 VAL A 1 7.065 18.267 8.337 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.216 16.807 8.159 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.510 17.789 6.805 1.00 0.00 H new ATOM 0 HA VAL A 1 4.711 18.324 9.093 1.00 0.00 H new ATOM 0 HB VAL A 1 6.046 20.254 8.562 1.00 0.00 H new ATOM 0 HG11 VAL A 1 5.773 21.460 6.429 1.00 0.00 H new ATOM 0 HG12 VAL A 1 6.586 19.890 6.231 1.00 0.00 H new ATOM 0 HG13 VAL A 1 4.876 20.070 5.772 1.00 0.00 H new ATOM 0 HG21 VAL A 1 4.133 21.822 8.213 1.00 0.00 H new ATOM 0 HG22 VAL A 1 3.118 20.444 7.722 1.00 0.00 H new ATOM 0 HG23 VAL A 1 3.748 20.538 9.384 1.00 0.00 H new ATOM 19 N VAL A 2 2.691 17.829 7.761 1.00 0.00 N ATOM 20 CA VAL A 2 1.547 17.383 7.031 1.00 0.00 C ATOM 21 C VAL A 2 0.407 18.276 7.384 1.00 0.00 C ATOM 22 O VAL A 2 0.313 18.736 8.521 1.00 0.00 O ATOM 23 CB VAL A 2 1.269 15.930 7.280 1.00 0.00 C ATOM 24 CG1 VAL A 2 0.941 15.639 8.753 1.00 0.00 C ATOM 25 CG2 VAL A 2 0.163 15.402 6.351 1.00 0.00 C ATOM 0 H VAL A 2 2.491 18.039 8.739 1.00 0.00 H new ATOM 0 HA VAL A 2 1.722 17.450 5.957 1.00 0.00 H new ATOM 0 HB VAL A 2 2.189 15.393 7.048 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.748 14.574 8.879 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.785 15.931 9.378 1.00 0.00 H new ATOM 0 HG13 VAL A 2 0.057 16.205 9.048 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -0.013 14.346 6.558 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.755 15.964 6.523 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.472 15.521 5.313 1.00 0.00 H new ATOM 35 N SER A 3 -0.482 18.617 6.434 1.00 0.00 N ATOM 36 CA SER A 3 -1.560 19.521 6.691 1.00 0.00 C ATOM 37 C SER A 3 -2.860 18.794 6.748 1.00 0.00 C ATOM 38 O SER A 3 -3.593 18.886 7.731 1.00 0.00 O ATOM 39 CB SER A 3 -1.615 20.645 5.642 1.00 0.00 C ATOM 40 OG SER A 3 -2.333 21.770 6.124 1.00 0.00 O ATOM 0 H SER A 3 -0.453 18.262 5.478 1.00 0.00 H new ATOM 0 HA SER A 3 -1.378 19.980 7.663 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.602 20.945 5.375 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.087 20.273 4.733 1.00 0.00 H new ATOM 0 HG SER A 3 -2.349 22.467 5.436 1.00 0.00 H new ATOM 46 N HIS A 4 -3.191 17.990 5.721 1.00 0.00 N ATOM 47 CA HIS A 4 -4.287 17.072 5.744 1.00 0.00 C ATOM 48 C HIS A 4 -3.784 15.710 5.414 1.00 0.00 C ATOM 49 O HIS A 4 -2.726 15.557 4.804 1.00 0.00 O ATOM 50 CB HIS A 4 -5.396 17.402 4.730 1.00 0.00 C ATOM 51 CG HIS A 4 -6.294 18.545 5.097 1.00 0.00 C ATOM 52 ND1 HIS A 4 -6.996 18.612 6.272 1.00 0.00 N ATOM 53 CD2 HIS A 4 -6.730 19.578 4.328 1.00 0.00 C ATOM 54 CE1 HIS A 4 -7.813 19.648 6.230 1.00 0.00 C ATOM 55 NE2 HIS A 4 -7.670 20.250 5.064 1.00 0.00 N ATOM 0 H HIS A 4 -2.675 17.979 4.841 1.00 0.00 H new ATOM 0 HA HIS A 4 -4.715 17.137 6.744 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -4.930 17.624 3.770 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -6.010 16.513 4.589 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -6.399 19.822 3.329 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -8.486 19.952 7.018 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -8.177 21.081 4.760 1.00 0.00 H new ATOM 64 N PHE A 5 -4.541 14.657 5.770 1.00 0.00 N ATOM 65 CA PHE A 5 -4.247 13.310 5.389 1.00 0.00 C ATOM 66 C PHE A 5 -4.998 12.962 4.150 1.00 0.00 C ATOM 67 O PHE A 5 -6.228 12.967 4.123 1.00 0.00 O ATOM 68 CB PHE A 5 -4.592 12.314 6.508 1.00 0.00 C ATOM 69 CG PHE A 5 -3.341 11.780 7.119 1.00 0.00 C ATOM 70 CD1 PHE A 5 -2.678 10.744 6.506 1.00 0.00 C ATOM 71 CD2 PHE A 5 -2.826 12.320 8.273 1.00 0.00 C ATOM 72 CE1 PHE A 5 -1.516 10.243 7.045 1.00 0.00 C ATOM 73 CE2 PHE A 5 -1.668 11.822 8.821 1.00 0.00 C ATOM 74 CZ PHE A 5 -1.011 10.783 8.206 1.00 0.00 C ATOM 0 H PHE A 5 -5.383 14.745 6.340 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.175 13.241 5.202 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.197 12.805 7.270 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -5.189 11.495 6.106 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.072 10.320 5.594 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.335 13.142 8.753 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.001 9.428 6.558 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.275 12.246 9.733 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.100 10.391 8.633 1.00 0.00 H new ATOM 84 N ASN A 6 -4.259 12.656 3.068 1.00 0.00 N ATOM 85 CA ASN A 6 -4.774 12.341 1.772 1.00 0.00 C ATOM 86 C ASN A 6 -4.233 11.016 1.363 1.00 0.00 C ATOM 87 O ASN A 6 -3.242 10.524 1.900 1.00 0.00 O ATOM 88 CB ASN A 6 -4.345 13.390 0.732 1.00 0.00 C ATOM 89 CG ASN A 6 -5.074 14.714 0.918 1.00 0.00 C ATOM 90 OD1 ASN A 6 -5.126 15.321 1.985 1.00 0.00 O ATOM 91 ND2 ASN A 6 -5.689 15.222 -0.183 1.00 0.00 N ATOM 0 H ASN A 6 -3.240 12.627 3.101 1.00 0.00 H new ATOM 0 HA ASN A 6 -5.863 12.328 1.820 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -3.270 13.555 0.807 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -4.540 13.007 -0.270 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -6.193 16.107 -0.123 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -5.646 14.719 -1.069 1.00 0.00 H new ATOM 98 N ASP A 7 -4.874 10.392 0.357 1.00 0.00 N ATOM 99 CA ASP A 7 -4.425 9.193 -0.278 1.00 0.00 C ATOM 100 C ASP A 7 -3.572 9.571 -1.440 1.00 0.00 C ATOM 101 O ASP A 7 -3.196 10.731 -1.604 1.00 0.00 O ATOM 102 CB ASP A 7 -5.614 8.357 -0.779 1.00 0.00 C ATOM 103 CG ASP A 7 -6.532 7.938 0.360 1.00 0.00 C ATOM 104 OD1 ASP A 7 -6.058 7.306 1.342 1.00 0.00 O ATOM 105 OD2 ASP A 7 -7.758 8.211 0.256 1.00 0.00 O ATOM 0 H ASP A 7 -5.749 10.743 -0.032 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.865 8.596 0.441 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.181 8.934 -1.509 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.243 7.470 -1.292 1.00 0.00 H new ATOM 110 N CYS A 8 -3.240 8.619 -2.329 1.00 0.00 N ATOM 111 CA CYS A 8 -2.729 8.902 -3.636 1.00 0.00 C ATOM 112 C CYS A 8 -3.679 9.724 -4.437 1.00 0.00 C ATOM 113 O CYS A 8 -4.789 9.241 -4.651 1.00 0.00 O ATOM 114 CB CYS A 8 -2.439 7.597 -4.396 1.00 0.00 C ATOM 115 SG CYS A 8 -1.044 6.693 -3.666 1.00 0.00 S ATOM 0 H CYS A 8 -3.329 7.622 -2.134 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.807 9.468 -3.500 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.327 6.965 -4.387 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.220 7.824 -5.439 1.00 0.00 H new ATOM 120 N PRO A 9 -3.416 10.915 -4.885 1.00 0.00 N ATOM 121 CA PRO A 9 -4.462 11.789 -5.336 1.00 0.00 C ATOM 122 C PRO A 9 -5.180 11.416 -6.586 1.00 0.00 C ATOM 123 O PRO A 9 -6.404 11.298 -6.568 1.00 0.00 O ATOM 124 CB PRO A 9 -3.799 13.154 -5.502 1.00 0.00 C ATOM 125 CG PRO A 9 -2.719 13.141 -4.408 1.00 0.00 C ATOM 126 CD PRO A 9 -2.244 11.681 -4.492 1.00 0.00 C ATOM 0 HA PRO A 9 -5.259 11.748 -4.594 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.367 13.276 -6.495 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.509 13.969 -5.360 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.916 13.849 -4.611 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.122 13.389 -3.426 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.440 11.571 -5.220 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.855 11.339 -3.533 1.00 0.00 H new ATOM 134 N LEU A 10 -4.470 11.271 -7.720 1.00 0.00 N ATOM 135 CA LEU A 10 -5.061 11.168 -9.018 1.00 0.00 C ATOM 136 C LEU A 10 -5.788 9.891 -9.267 1.00 0.00 C ATOM 137 O LEU A 10 -6.846 9.876 -9.894 1.00 0.00 O ATOM 138 CB LEU A 10 -4.027 11.487 -10.111 1.00 0.00 C ATOM 139 CG LEU A 10 -2.830 10.531 -10.249 1.00 0.00 C ATOM 140 CD1 LEU A 10 -3.047 9.512 -11.380 1.00 0.00 C ATOM 141 CD2 LEU A 10 -1.539 11.326 -10.510 1.00 0.00 C ATOM 0 H LEU A 10 -3.451 11.224 -7.733 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.845 11.925 -9.057 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.547 11.517 -11.069 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.639 12.489 -9.927 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.738 9.984 -9.311 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.181 8.854 -11.448 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.938 8.920 -11.170 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.176 10.039 -12.325 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.700 10.637 -10.605 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.644 11.899 -11.431 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.356 12.007 -9.678 1.00 0.00 H new ATOM 153 N SER A 11 -5.256 8.771 -8.745 1.00 0.00 N ATOM 154 CA SER A 11 -5.892 7.490 -8.747 1.00 0.00 C ATOM 155 C SER A 11 -5.491 6.806 -7.485 1.00 0.00 C ATOM 156 O SER A 11 -4.393 7.034 -6.981 1.00 0.00 O ATOM 157 CB SER A 11 -5.461 6.612 -9.932 1.00 0.00 C ATOM 158 OG SER A 11 -6.247 5.433 -10.031 1.00 0.00 O ATOM 0 H SER A 11 -4.338 8.759 -8.300 1.00 0.00 H new ATOM 0 HA SER A 11 -6.969 7.636 -8.830 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.545 7.183 -10.857 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.411 6.340 -9.820 1.00 0.00 H new ATOM 0 HG SER A 11 -5.665 4.646 -9.979 1.00 0.00 H new ATOM 164 N HIS A 12 -6.348 5.933 -6.926 1.00 0.00 N ATOM 165 CA HIS A 12 -6.027 5.119 -5.795 1.00 0.00 C ATOM 166 C HIS A 12 -5.267 3.907 -6.214 1.00 0.00 C ATOM 167 O HIS A 12 -4.302 3.507 -5.567 1.00 0.00 O ATOM 168 CB HIS A 12 -7.298 4.630 -5.081 1.00 0.00 C ATOM 169 CG HIS A 12 -7.029 3.850 -3.829 1.00 0.00 C ATOM 170 ND1 HIS A 12 -6.951 4.457 -2.602 1.00 0.00 N ATOM 171 CD2 HIS A 12 -6.786 2.528 -3.620 1.00 0.00 C ATOM 172 CE1 HIS A 12 -6.662 3.552 -1.685 1.00 0.00 C ATOM 173 NE2 HIS A 12 -6.564 2.376 -2.277 1.00 0.00 N ATOM 0 H HIS A 12 -7.296 5.789 -7.273 1.00 0.00 H new ATOM 0 HA HIS A 12 -5.430 5.738 -5.125 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -7.919 5.491 -4.835 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.873 4.009 -5.768 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -6.771 1.749 -4.368 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.528 3.742 -0.630 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -6.356 1.494 -1.809 1.00 0.00 H new ATOM 182 N ASP A 13 -5.676 3.286 -7.335 1.00 0.00 N ATOM 183 CA ASP A 13 -5.048 2.103 -7.835 1.00 0.00 C ATOM 184 C ASP A 13 -4.212 2.364 -9.041 1.00 0.00 C ATOM 185 O ASP A 13 -4.456 3.244 -9.864 1.00 0.00 O ATOM 186 CB ASP A 13 -6.041 0.963 -8.117 1.00 0.00 C ATOM 187 CG ASP A 13 -6.403 0.289 -6.801 1.00 0.00 C ATOM 188 OD1 ASP A 13 -5.495 -0.333 -6.186 1.00 0.00 O ATOM 189 OD2 ASP A 13 -7.591 0.372 -6.390 1.00 0.00 O ATOM 0 H ASP A 13 -6.457 3.612 -7.904 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.391 1.775 -7.029 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.937 1.354 -8.599 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.600 0.239 -8.802 1.00 0.00 H new ATOM 194 N GLY A 14 -3.150 1.547 -9.158 1.00 0.00 N ATOM 195 CA GLY A 14 -2.208 1.610 -10.232 1.00 0.00 C ATOM 196 C GLY A 14 -1.045 0.728 -9.933 1.00 0.00 C ATOM 197 O GLY A 14 -0.804 -0.244 -10.648 1.00 0.00 O ATOM 0 H GLY A 14 -2.940 0.815 -8.479 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.682 1.299 -11.163 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.871 2.637 -10.373 1.00 0.00 H new ATOM 201 N TYR A 15 -0.300 1.067 -8.866 1.00 0.00 N ATOM 202 CA TYR A 15 0.964 0.474 -8.555 1.00 0.00 C ATOM 203 C TYR A 15 0.899 -0.725 -7.674 1.00 0.00 C ATOM 204 O TYR A 15 1.505 -1.750 -7.981 1.00 0.00 O ATOM 205 CB TYR A 15 1.858 1.561 -7.935 1.00 0.00 C ATOM 206 CG TYR A 15 3.255 1.095 -7.709 1.00 0.00 C ATOM 207 CD1 TYR A 15 4.174 1.096 -8.731 1.00 0.00 C ATOM 208 CD2 TYR A 15 3.619 0.604 -6.478 1.00 0.00 C ATOM 209 CE1 TYR A 15 5.450 0.631 -8.521 1.00 0.00 C ATOM 210 CE2 TYR A 15 4.885 0.109 -6.266 1.00 0.00 C ATOM 211 CZ TYR A 15 5.809 0.153 -7.282 1.00 0.00 C ATOM 212 OH TYR A 15 7.138 -0.239 -7.010 1.00 0.00 O ATOM 0 H TYR A 15 -0.588 1.780 -8.195 1.00 0.00 H new ATOM 0 HA TYR A 15 1.379 0.094 -9.488 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.871 2.432 -8.590 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.428 1.882 -6.986 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.891 1.465 -9.706 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.904 0.607 -5.669 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.169 0.641 -9.327 1.00 0.00 H new ATOM 0 HE2 TYR A 15 5.151 -0.311 -5.307 1.00 0.00 H new ATOM 0 HH TYR A 15 7.204 -0.549 -6.083 1.00 0.00 H new ATOM 222 N CYS A 16 0.210 -0.661 -6.520 1.00 0.00 N ATOM 223 CA CYS A 16 0.315 -1.665 -5.507 1.00 0.00 C ATOM 224 C CYS A 16 -0.658 -2.771 -5.726 1.00 0.00 C ATOM 225 O CYS A 16 -1.839 -2.550 -5.992 1.00 0.00 O ATOM 226 CB CYS A 16 0.075 -1.142 -4.081 1.00 0.00 C ATOM 227 SG CYS A 16 1.217 0.149 -3.509 1.00 0.00 S ATOM 0 H CYS A 16 -0.429 0.099 -6.287 1.00 0.00 H new ATOM 0 HA CYS A 16 1.344 -2.014 -5.591 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.941 -0.753 -4.024 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.133 -1.984 -3.391 1.00 0.00 H new ATOM 232 N LEU A 17 -0.182 -4.023 -5.603 1.00 0.00 N ATOM 233 CA LEU A 17 -0.953 -5.212 -5.794 1.00 0.00 C ATOM 234 C LEU A 17 -1.641 -5.614 -4.534 1.00 0.00 C ATOM 235 O LEU A 17 -1.443 -5.023 -3.474 1.00 0.00 O ATOM 236 CB LEU A 17 -0.102 -6.363 -6.355 1.00 0.00 C ATOM 237 CG LEU A 17 0.169 -6.281 -7.867 1.00 0.00 C ATOM 238 CD1 LEU A 17 1.211 -5.222 -8.262 1.00 0.00 C ATOM 239 CD2 LEU A 17 0.597 -7.657 -8.405 1.00 0.00 C ATOM 0 H LEU A 17 0.789 -4.215 -5.358 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.717 -4.986 -6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.852 -6.382 -5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.603 -7.307 -6.140 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.772 -5.969 -8.321 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.344 -5.228 -9.344 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.868 -4.237 -7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.161 -5.448 -7.778 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.786 -7.586 -9.476 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.506 -7.980 -7.897 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.197 -8.382 -8.224 1.00 0.00 H new ATOM 251 N HIS A 18 -2.545 -6.606 -4.625 1.00 0.00 N ATOM 252 CA HIS A 18 -3.394 -7.106 -3.589 1.00 0.00 C ATOM 253 C HIS A 18 -4.082 -6.120 -2.710 1.00 0.00 C ATOM 254 O HIS A 18 -4.183 -6.328 -1.502 1.00 0.00 O ATOM 255 CB HIS A 18 -2.698 -8.174 -2.728 1.00 0.00 C ATOM 256 CG HIS A 18 -2.204 -9.367 -3.491 1.00 0.00 C ATOM 257 ND1 HIS A 18 -3.026 -10.247 -4.146 1.00 0.00 N ATOM 258 CD2 HIS A 18 -0.941 -9.857 -3.614 1.00 0.00 C ATOM 259 CE1 HIS A 18 -2.301 -11.227 -4.653 1.00 0.00 C ATOM 260 NE2 HIS A 18 -1.036 -11.014 -4.341 1.00 0.00 N ATOM 0 H HIS A 18 -2.693 -7.101 -5.504 1.00 0.00 H new ATOM 0 HA HIS A 18 -4.201 -7.544 -4.176 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -1.855 -7.714 -2.213 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -3.394 -8.513 -1.960 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.038 -9.419 -3.216 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.679 -12.061 -5.226 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -0.254 -11.615 -4.600 1.00 0.00 H new ATOM 269 N ASP A 19 -4.608 -5.020 -3.279 1.00 0.00 N ATOM 270 CA ASP A 19 -5.303 -3.964 -2.613 1.00 0.00 C ATOM 271 C ASP A 19 -4.473 -3.130 -1.699 1.00 0.00 C ATOM 272 O ASP A 19 -4.957 -2.626 -0.687 1.00 0.00 O ATOM 273 CB ASP A 19 -6.595 -4.424 -1.915 1.00 0.00 C ATOM 274 CG ASP A 19 -7.693 -4.741 -2.920 1.00 0.00 C ATOM 275 OD1 ASP A 19 -7.537 -5.667 -3.759 1.00 0.00 O ATOM 276 OD2 ASP A 19 -8.774 -4.102 -2.821 1.00 0.00 O ATOM 0 H ASP A 19 -4.541 -4.859 -4.284 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.583 -3.308 -3.437 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.388 -5.307 -1.311 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.938 -3.645 -1.234 1.00 0.00 H new ATOM 281 N GLY A 20 -3.191 -2.897 -2.034 1.00 0.00 N ATOM 282 CA GLY A 20 -2.316 -2.072 -1.260 1.00 0.00 C ATOM 283 C GLY A 20 -2.703 -0.634 -1.199 1.00 0.00 C ATOM 284 O GLY A 20 -2.987 0.005 -2.211 1.00 0.00 O ATOM 0 H GLY A 20 -2.751 -3.293 -2.865 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.273 -2.465 -0.244 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.310 -2.146 -1.673 1.00 0.00 H new ATOM 288 N VAL A 21 -2.744 -0.076 0.024 1.00 0.00 N ATOM 289 CA VAL A 21 -3.212 1.240 0.331 1.00 0.00 C ATOM 290 C VAL A 21 -2.076 2.199 0.230 1.00 0.00 C ATOM 291 O VAL A 21 -1.174 2.174 1.065 1.00 0.00 O ATOM 292 CB VAL A 21 -3.793 1.288 1.714 1.00 0.00 C ATOM 293 CG1 VAL A 21 -4.291 2.696 2.082 1.00 0.00 C ATOM 294 CG2 VAL A 21 -4.966 0.298 1.814 1.00 0.00 C ATOM 0 H VAL A 21 -2.429 -0.579 0.854 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.993 1.512 -0.379 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.002 1.017 2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.703 2.684 3.091 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.459 3.399 2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.064 3.004 1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.387 0.333 2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.733 0.569 1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.610 -0.711 1.605 1.00 0.00 H new ATOM 304 N CYS A 22 -2.056 3.081 -0.786 1.00 0.00 N ATOM 305 CA CYS A 22 -0.958 3.971 -0.999 1.00 0.00 C ATOM 306 C CYS A 22 -1.200 5.353 -0.496 1.00 0.00 C ATOM 307 O CYS A 22 -2.296 5.901 -0.604 1.00 0.00 O ATOM 308 CB CYS A 22 -0.505 3.985 -2.469 1.00 0.00 C ATOM 309 SG CYS A 22 -1.637 4.752 -3.664 1.00 0.00 S ATOM 0 H CYS A 22 -2.810 3.177 -1.467 1.00 0.00 H new ATOM 0 HA CYS A 22 -0.143 3.569 -0.398 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.452 4.504 -2.525 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -0.328 2.956 -2.780 1.00 0.00 H new ATOM 314 N MET A 23 -0.153 5.974 0.076 1.00 0.00 N ATOM 315 CA MET A 23 -0.122 7.367 0.399 1.00 0.00 C ATOM 316 C MET A 23 1.202 7.948 0.038 1.00 0.00 C ATOM 317 O MET A 23 2.208 7.660 0.682 1.00 0.00 O ATOM 318 CB MET A 23 -0.315 7.632 1.902 1.00 0.00 C ATOM 319 CG MET A 23 -1.705 7.284 2.437 1.00 0.00 C ATOM 320 SD MET A 23 -1.884 7.626 4.214 1.00 0.00 S ATOM 321 CE MET A 23 -3.682 7.370 4.216 1.00 0.00 C ATOM 0 H MET A 23 0.707 5.485 0.324 1.00 0.00 H new ATOM 0 HA MET A 23 -0.939 7.821 -0.162 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.427 7.058 2.457 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.117 8.685 2.100 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.454 7.852 1.885 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.906 6.229 2.253 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.070 7.523 5.223 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.151 8.080 3.535 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.905 6.354 3.892 1.00 0.00 H new ATOM 331 N TYR A 24 1.253 8.819 -0.987 1.00 0.00 N ATOM 332 CA TYR A 24 2.288 9.783 -1.195 1.00 0.00 C ATOM 333 C TYR A 24 1.876 11.046 -0.522 1.00 0.00 C ATOM 334 O TYR A 24 0.771 11.543 -0.730 1.00 0.00 O ATOM 335 CB TYR A 24 2.564 10.011 -2.691 1.00 0.00 C ATOM 336 CG TYR A 24 3.475 11.148 -3.003 1.00 0.00 C ATOM 337 CD1 TYR A 24 4.839 11.050 -2.857 1.00 0.00 C ATOM 338 CD2 TYR A 24 2.933 12.327 -3.457 1.00 0.00 C ATOM 339 CE1 TYR A 24 5.651 12.119 -3.152 1.00 0.00 C ATOM 340 CE2 TYR A 24 3.743 13.396 -3.759 1.00 0.00 C ATOM 341 CZ TYR A 24 5.105 13.301 -3.591 1.00 0.00 C ATOM 342 OH TYR A 24 5.913 14.427 -3.857 1.00 0.00 O ATOM 0 H TYR A 24 0.533 8.851 -1.709 1.00 0.00 H new ATOM 0 HA TYR A 24 3.222 9.417 -0.768 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.991 9.099 -3.108 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.614 10.178 -3.198 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.275 10.126 -2.508 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.863 12.414 -3.577 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.721 12.030 -3.038 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.309 14.313 -4.129 1.00 0.00 H new ATOM 0 HH TYR A 24 6.765 14.338 -3.381 1.00 0.00 H new ATOM 352 N ILE A 25 2.751 11.612 0.329 1.00 0.00 N ATOM 353 CA ILE A 25 2.491 12.827 1.037 1.00 0.00 C ATOM 354 C ILE A 25 3.360 13.879 0.438 1.00 0.00 C ATOM 355 O ILE A 25 4.581 13.866 0.592 1.00 0.00 O ATOM 356 CB ILE A 25 2.753 12.679 2.506 1.00 0.00 C ATOM 357 CG1 ILE A 25 1.963 11.516 3.129 1.00 0.00 C ATOM 358 CG2 ILE A 25 2.337 13.999 3.178 1.00 0.00 C ATOM 359 CD1 ILE A 25 2.720 10.191 3.197 1.00 0.00 C ATOM 0 H ILE A 25 3.667 11.212 0.530 1.00 0.00 H new ATOM 0 HA ILE A 25 1.439 13.098 0.945 1.00 0.00 H new ATOM 0 HB ILE A 25 3.810 12.458 2.658 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.662 11.799 4.138 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.049 11.367 2.554 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.513 13.932 4.252 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.925 14.819 2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.278 14.183 2.994 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.084 9.431 3.651 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.997 9.878 2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.620 10.317 3.799 1.00 0.00 H new ATOM 371 N GLU A 26 2.761 14.852 -0.272 1.00 0.00 N ATOM 372 CA GLU A 26 3.441 15.817 -1.078 1.00 0.00 C ATOM 373 C GLU A 26 4.328 16.729 -0.302 1.00 0.00 C ATOM 374 O GLU A 26 5.465 16.996 -0.687 1.00 0.00 O ATOM 375 CB GLU A 26 2.398 16.593 -1.900 1.00 0.00 C ATOM 376 CG GLU A 26 2.927 17.510 -3.005 1.00 0.00 C ATOM 377 CD GLU A 26 3.384 18.875 -2.511 1.00 0.00 C ATOM 378 OE1 GLU A 26 2.559 19.585 -1.877 1.00 0.00 O ATOM 379 OE2 GLU A 26 4.549 19.275 -2.775 1.00 0.00 O ATOM 0 H GLU A 26 1.748 14.971 -0.284 1.00 0.00 H new ATOM 0 HA GLU A 26 4.118 15.282 -1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.720 15.871 -2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.806 17.197 -1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.762 17.017 -3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.146 17.648 -3.753 1.00 0.00 H new ATOM 386 N ALA A 27 3.861 17.179 0.877 1.00 0.00 N ATOM 387 CA ALA A 27 4.592 17.983 1.806 1.00 0.00 C ATOM 388 C ALA A 27 5.849 17.368 2.316 1.00 0.00 C ATOM 389 O ALA A 27 6.813 18.066 2.629 1.00 0.00 O ATOM 390 CB ALA A 27 3.685 18.293 3.009 1.00 0.00 C ATOM 0 H ALA A 27 2.917 16.968 1.200 1.00 0.00 H new ATOM 0 HA ALA A 27 4.889 18.877 1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.230 18.906 3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.801 18.832 2.669 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.381 17.361 3.485 1.00 0.00 H new ATOM 396 N LEU A 28 5.901 16.027 2.413 1.00 0.00 N ATOM 397 CA LEU A 28 7.055 15.311 2.860 1.00 0.00 C ATOM 398 C LEU A 28 7.957 14.944 1.733 1.00 0.00 C ATOM 399 O LEU A 28 9.178 14.928 1.878 1.00 0.00 O ATOM 400 CB LEU A 28 6.647 14.008 3.569 1.00 0.00 C ATOM 401 CG LEU A 28 5.643 14.165 4.723 1.00 0.00 C ATOM 402 CD1 LEU A 28 5.398 12.811 5.411 1.00 0.00 C ATOM 403 CD2 LEU A 28 6.080 15.212 5.761 1.00 0.00 C ATOM 0 H LEU A 28 5.115 15.423 2.173 1.00 0.00 H new ATOM 0 HA LEU A 28 7.580 15.977 3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.219 13.331 2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.546 13.529 3.956 1.00 0.00 H new ATOM 0 HG LEU A 28 4.715 14.525 4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.685 12.940 6.225 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.997 12.102 4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.338 12.430 5.809 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.331 15.277 6.550 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.037 14.919 6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.182 16.183 5.277 1.00 0.00 H new ATOM 415 N ASP A 29 7.359 14.560 0.591 1.00 0.00 N ATOM 416 CA ASP A 29 7.938 13.901 -0.538 1.00 0.00 C ATOM 417 C ASP A 29 8.264 12.480 -0.230 1.00 0.00 C ATOM 418 O ASP A 29 9.085 11.830 -0.876 1.00 0.00 O ATOM 419 CB ASP A 29 9.079 14.697 -1.194 1.00 0.00 C ATOM 420 CG ASP A 29 9.415 14.208 -2.596 1.00 0.00 C ATOM 421 OD1 ASP A 29 8.519 14.246 -3.482 1.00 0.00 O ATOM 422 OD2 ASP A 29 10.585 13.809 -2.837 1.00 0.00 O ATOM 0 H ASP A 29 6.364 14.731 0.447 1.00 0.00 H new ATOM 0 HA ASP A 29 7.177 13.867 -1.318 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.801 15.750 -1.239 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.969 14.629 -0.568 1.00 0.00 H new ATOM 427 N LYS A 30 7.601 11.910 0.791 1.00 0.00 N ATOM 428 CA LYS A 30 7.777 10.562 1.237 1.00 0.00 C ATOM 429 C LYS A 30 6.508 9.808 1.037 1.00 0.00 C ATOM 430 O LYS A 30 5.424 10.386 0.974 1.00 0.00 O ATOM 431 CB LYS A 30 8.182 10.481 2.719 1.00 0.00 C ATOM 432 CG LYS A 30 9.463 11.235 3.080 1.00 0.00 C ATOM 433 CD LYS A 30 10.648 10.850 2.192 1.00 0.00 C ATOM 434 CE LYS A 30 11.965 11.520 2.594 1.00 0.00 C ATOM 435 NZ LYS A 30 12.967 11.354 1.518 1.00 0.00 N ATOM 0 H LYS A 30 6.904 12.417 1.336 1.00 0.00 H new ATOM 0 HA LYS A 30 8.585 10.127 0.649 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.365 10.872 3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.307 9.432 2.989 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.284 12.307 2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.715 11.035 4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.777 9.768 2.223 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.417 11.114 1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.799 12.580 2.787 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.338 11.082 3.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.858 11.812 1.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.135 10.341 1.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.613 11.793 0.644 1.00 0.00 H new ATOM 449 N TYR A 31 6.606 8.474 0.898 1.00 0.00 N ATOM 450 CA TYR A 31 5.448 7.661 0.692 1.00 0.00 C ATOM 451 C TYR A 31 5.467 6.361 1.420 1.00 0.00 C ATOM 452 O TYR A 31 6.489 5.908 1.932 1.00 0.00 O ATOM 453 CB TYR A 31 5.067 7.523 -0.792 1.00 0.00 C ATOM 454 CG TYR A 31 5.904 6.585 -1.591 1.00 0.00 C ATOM 455 CD1 TYR A 31 7.166 6.933 -2.008 1.00 0.00 C ATOM 456 CD2 TYR A 31 5.370 5.374 -1.963 1.00 0.00 C ATOM 457 CE1 TYR A 31 7.896 6.066 -2.789 1.00 0.00 C ATOM 458 CE2 TYR A 31 6.092 4.509 -2.752 1.00 0.00 C ATOM 459 CZ TYR A 31 7.360 4.854 -3.156 1.00 0.00 C ATOM 460 OH TYR A 31 8.147 3.968 -3.921 1.00 0.00 O ATOM 0 H TYR A 31 7.486 7.959 0.928 1.00 0.00 H new ATOM 0 HA TYR A 31 4.636 8.217 1.161 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.029 7.196 -0.852 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.118 8.509 -1.254 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.585 7.887 -1.723 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.378 5.100 -1.634 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.890 6.338 -3.114 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.665 3.564 -3.053 1.00 0.00 H new ATOM 0 HH TYR A 31 7.637 3.152 -4.104 1.00 0.00 H new ATOM 470 N ALA A 32 4.285 5.725 1.506 1.00 0.00 N ATOM 471 CA ALA A 32 4.117 4.432 2.093 1.00 0.00 C ATOM 472 C ALA A 32 2.964 3.737 1.455 1.00 0.00 C ATOM 473 O ALA A 32 1.878 4.301 1.333 1.00 0.00 O ATOM 474 CB ALA A 32 3.887 4.556 3.609 1.00 0.00 C ATOM 0 H ALA A 32 3.415 6.125 1.154 1.00 0.00 H new ATOM 0 HA ALA A 32 5.023 3.849 1.928 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.761 3.563 4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.746 5.045 4.069 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.991 5.148 3.794 1.00 0.00 H new ATOM 480 N CYS A 33 3.141 2.470 1.039 1.00 0.00 N ATOM 481 CA CYS A 33 2.070 1.615 0.628 1.00 0.00 C ATOM 482 C CYS A 33 1.893 0.563 1.669 1.00 0.00 C ATOM 483 O CYS A 33 2.836 -0.141 2.029 1.00 0.00 O ATOM 484 CB CYS A 33 2.291 1.017 -0.772 1.00 0.00 C ATOM 485 SG CYS A 33 0.775 0.377 -1.541 1.00 0.00 S ATOM 0 H CYS A 33 4.058 2.026 0.987 1.00 0.00 H new ATOM 0 HA CYS A 33 1.156 2.202 0.539 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.722 1.781 -1.420 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.021 0.210 -0.702 1.00 0.00 H new ATOM 490 N ASN A 34 0.681 0.415 2.232 1.00 0.00 N ATOM 491 CA ASN A 34 0.405 -0.536 3.265 1.00 0.00 C ATOM 492 C ASN A 34 -0.267 -1.740 2.701 1.00 0.00 C ATOM 493 O ASN A 34 -1.224 -1.640 1.935 1.00 0.00 O ATOM 494 CB ASN A 34 -0.482 0.140 4.324 1.00 0.00 C ATOM 495 CG ASN A 34 -0.638 -0.712 5.576 1.00 0.00 C ATOM 496 OD1 ASN A 34 0.349 -1.170 6.148 1.00 0.00 O ATOM 497 ND2 ASN A 34 -1.902 -0.941 6.024 1.00 0.00 N ATOM 0 H ASN A 34 -0.130 0.972 1.962 1.00 0.00 H new ATOM 0 HA ASN A 34 1.337 -0.866 3.725 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -0.051 1.104 4.594 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -1.465 0.339 3.898 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.052 -1.508 6.859 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.699 -0.546 5.525 1.00 0.00 H new ATOM 504 N CYS A 35 0.162 -2.940 3.130 1.00 0.00 N ATOM 505 CA CYS A 35 -0.325 -4.190 2.634 1.00 0.00 C ATOM 506 C CYS A 35 -0.845 -5.007 3.766 1.00 0.00 C ATOM 507 O CYS A 35 -0.600 -4.704 4.933 1.00 0.00 O ATOM 508 CB CYS A 35 0.780 -4.926 1.859 1.00 0.00 C ATOM 509 SG CYS A 35 0.164 -6.064 0.584 1.00 0.00 S ATOM 0 H CYS A 35 0.876 -3.044 3.851 1.00 0.00 H new ATOM 0 HA CYS A 35 -1.145 -4.013 1.938 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.431 -4.189 1.388 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.392 -5.487 2.566 1.00 0.00 H new ATOM 514 N VAL A 36 -1.599 -6.087 3.492 1.00 0.00 N ATOM 515 CA VAL A 36 -2.112 -6.963 4.499 1.00 0.00 C ATOM 516 C VAL A 36 -1.081 -7.931 4.969 1.00 0.00 C ATOM 517 O VAL A 36 0.021 -8.031 4.432 1.00 0.00 O ATOM 518 CB VAL A 36 -3.364 -7.690 4.104 1.00 0.00 C ATOM 519 CG1 VAL A 36 -4.369 -7.690 5.269 1.00 0.00 C ATOM 520 CG2 VAL A 36 -4.033 -7.038 2.883 1.00 0.00 C ATOM 0 H VAL A 36 -1.859 -6.358 2.544 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.385 -6.304 5.323 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.079 -8.711 3.850 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.273 -8.220 4.970 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.926 -8.187 6.132 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.621 -6.663 5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.936 -7.590 2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.293 -6.006 3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.344 -7.055 2.039 1.00 0.00 H new ATOM 530 N VAL A 37 -1.388 -8.722 6.013 1.00 0.00 N ATOM 531 CA VAL A 37 -0.572 -9.799 6.480 1.00 0.00 C ATOM 532 C VAL A 37 -0.595 -10.952 5.535 1.00 0.00 C ATOM 533 O VAL A 37 -1.631 -11.339 4.995 1.00 0.00 O ATOM 534 CB VAL A 37 -0.938 -10.201 7.877 1.00 0.00 C ATOM 535 CG1 VAL A 37 -2.390 -10.698 7.983 1.00 0.00 C ATOM 536 CG2 VAL A 37 0.038 -11.251 8.434 1.00 0.00 C ATOM 0 H VAL A 37 -2.244 -8.605 6.556 1.00 0.00 H new ATOM 0 HA VAL A 37 0.457 -9.442 6.515 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.859 -9.302 8.488 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.605 -10.977 9.015 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.070 -9.905 7.672 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.526 -11.565 7.337 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.257 -11.520 9.448 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.016 -12.139 7.802 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.047 -10.839 8.447 1.00 0.00 H new ATOM 546 N GLY A 38 0.578 -11.548 5.264 1.00 0.00 N ATOM 547 CA GLY A 38 0.678 -12.715 4.441 1.00 0.00 C ATOM 548 C GLY A 38 0.813 -12.428 2.986 1.00 0.00 C ATOM 549 O GLY A 38 0.558 -13.301 2.158 1.00 0.00 O ATOM 0 H GLY A 38 1.474 -11.215 5.622 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.538 -13.302 4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.206 -13.333 4.597 1.00 0.00 H new ATOM 553 N TYR A 39 1.234 -11.196 2.648 1.00 0.00 N ATOM 554 CA TYR A 39 1.512 -10.765 1.313 1.00 0.00 C ATOM 555 C TYR A 39 2.826 -10.066 1.343 1.00 0.00 C ATOM 556 O TYR A 39 3.058 -9.214 2.200 1.00 0.00 O ATOM 557 CB TYR A 39 0.443 -9.812 0.752 1.00 0.00 C ATOM 558 CG TYR A 39 -0.878 -10.494 0.642 1.00 0.00 C ATOM 559 CD1 TYR A 39 -1.132 -11.358 -0.395 1.00 0.00 C ATOM 560 CD2 TYR A 39 -1.851 -10.278 1.589 1.00 0.00 C ATOM 561 CE1 TYR A 39 -2.345 -12.001 -0.486 1.00 0.00 C ATOM 562 CE2 TYR A 39 -3.063 -10.921 1.510 1.00 0.00 C ATOM 563 CZ TYR A 39 -3.310 -11.784 0.469 1.00 0.00 C ATOM 564 OH TYR A 39 -4.521 -12.505 0.399 1.00 0.00 O ATOM 0 H TYR A 39 1.388 -10.464 3.341 1.00 0.00 H new ATOM 0 HA TYR A 39 1.519 -11.638 0.660 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.353 -8.940 1.399 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.752 -9.450 -0.229 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.374 -11.534 -1.144 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.661 -9.595 2.404 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.539 -12.676 -1.307 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.818 -10.749 2.263 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.101 -12.243 1.144 1.00 0.00 H new ATOM 574 N ILE A 40 3.765 -10.440 0.456 1.00 0.00 N ATOM 575 CA ILE A 40 5.120 -9.987 0.498 1.00 0.00 C ATOM 576 C ILE A 40 5.573 -9.498 -0.835 1.00 0.00 C ATOM 577 O ILE A 40 4.901 -9.641 -1.855 1.00 0.00 O ATOM 578 CB ILE A 40 6.057 -11.007 1.074 1.00 0.00 C ATOM 579 CG1 ILE A 40 6.026 -12.339 0.308 1.00 0.00 C ATOM 580 CG2 ILE A 40 5.719 -11.193 2.563 1.00 0.00 C ATOM 581 CD1 ILE A 40 6.900 -13.436 0.916 1.00 0.00 C ATOM 0 H ILE A 40 3.575 -11.079 -0.316 1.00 0.00 H new ATOM 0 HA ILE A 40 5.145 -9.139 1.182 1.00 0.00 H new ATOM 0 HB ILE A 40 7.079 -10.643 0.973 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.997 -12.694 0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.348 -12.162 -0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.391 -11.932 2.999 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.837 -10.243 3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.689 -11.536 2.662 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.819 -14.341 0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.938 -13.105 0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.566 -13.646 1.932 1.00 0.00 H new ATOM 593 N GLY A 41 6.754 -8.856 -0.879 1.00 0.00 N ATOM 594 CA GLY A 41 7.343 -8.297 -2.055 1.00 0.00 C ATOM 595 C GLY A 41 7.190 -6.815 -2.092 1.00 0.00 C ATOM 596 O GLY A 41 6.374 -6.232 -1.380 1.00 0.00 O ATOM 0 H GLY A 41 7.329 -8.720 -0.047 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.401 -8.555 -2.091 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.878 -8.734 -2.939 1.00 0.00 H new ATOM 600 N GLU A 42 7.961 -6.123 -2.950 1.00 0.00 N ATOM 601 CA GLU A 42 8.025 -4.695 -2.971 1.00 0.00 C ATOM 602 C GLU A 42 6.780 -4.050 -3.476 1.00 0.00 C ATOM 603 O GLU A 42 6.319 -3.029 -2.970 1.00 0.00 O ATOM 604 CB GLU A 42 9.212 -4.200 -3.815 1.00 0.00 C ATOM 605 CG GLU A 42 10.553 -4.415 -3.109 1.00 0.00 C ATOM 606 CD GLU A 42 11.706 -3.817 -3.903 1.00 0.00 C ATOM 607 OE1 GLU A 42 11.646 -2.604 -4.236 1.00 0.00 O ATOM 608 OE2 GLU A 42 12.689 -4.553 -4.188 1.00 0.00 O ATOM 0 H GLU A 42 8.556 -6.569 -3.648 1.00 0.00 H new ATOM 0 HA GLU A 42 8.155 -4.403 -1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.219 -4.723 -4.771 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.084 -3.140 -4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.520 -3.963 -2.118 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.723 -5.482 -2.967 1.00 0.00 H new ATOM 615 N ARG A 43 6.153 -4.657 -4.499 1.00 0.00 N ATOM 616 CA ARG A 43 4.919 -4.231 -5.082 1.00 0.00 C ATOM 617 C ARG A 43 3.764 -4.881 -4.402 1.00 0.00 C ATOM 618 O ARG A 43 2.612 -4.686 -4.788 1.00 0.00 O ATOM 619 CB ARG A 43 4.888 -4.518 -6.592 1.00 0.00 C ATOM 620 CG ARG A 43 6.175 -5.050 -7.226 1.00 0.00 C ATOM 621 CD ARG A 43 7.260 -4.016 -7.533 1.00 0.00 C ATOM 622 NE ARG A 43 6.897 -3.321 -8.801 1.00 0.00 N ATOM 623 CZ ARG A 43 7.742 -2.480 -9.465 1.00 0.00 C ATOM 624 NH1 ARG A 43 8.910 -2.035 -8.915 1.00 0.00 N ATOM 625 NH2 ARG A 43 7.438 -2.034 -10.718 1.00 0.00 N ATOM 0 H ARG A 43 6.530 -5.494 -4.945 1.00 0.00 H new ATOM 0 HA ARG A 43 4.840 -3.153 -4.944 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.093 -5.239 -6.783 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.613 -3.597 -7.106 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.598 -5.802 -6.560 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.914 -5.557 -8.155 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.343 -3.298 -6.717 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.231 -4.502 -7.630 1.00 0.00 H new ATOM 0 HE ARG A 43 5.969 -3.482 -9.192 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.177 -2.331 -7.976 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.516 -1.407 -9.443 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.571 -2.329 -11.168 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.077 -1.406 -11.205 1.00 0.00 H new ATOM 639 N CYS A 44 4.046 -5.702 -3.375 1.00 0.00 N ATOM 640 CA CYS A 44 3.166 -6.576 -2.663 1.00 0.00 C ATOM 641 C CYS A 44 2.502 -7.613 -3.503 1.00 0.00 C ATOM 642 O CYS A 44 1.298 -7.855 -3.432 1.00 0.00 O ATOM 643 CB CYS A 44 2.202 -5.843 -1.715 1.00 0.00 C ATOM 644 SG CYS A 44 1.846 -6.842 -0.240 1.00 0.00 S ATOM 0 H CYS A 44 4.995 -5.757 -3.006 1.00 0.00 H new ATOM 0 HA CYS A 44 3.831 -7.147 -2.015 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.637 -4.890 -1.415 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.273 -5.619 -2.239 1.00 0.00 H new ATOM 649 N GLN A 45 3.283 -8.290 -4.362 1.00 0.00 N ATOM 650 CA GLN A 45 2.781 -9.255 -5.291 1.00 0.00 C ATOM 651 C GLN A 45 2.503 -10.617 -4.755 1.00 0.00 C ATOM 652 O GLN A 45 1.577 -11.297 -5.197 1.00 0.00 O ATOM 653 CB GLN A 45 3.788 -9.467 -6.435 1.00 0.00 C ATOM 654 CG GLN A 45 4.401 -8.170 -6.969 1.00 0.00 C ATOM 655 CD GLN A 45 5.200 -8.459 -8.231 1.00 0.00 C ATOM 656 OE1 GLN A 45 6.424 -8.350 -8.285 1.00 0.00 O ATOM 657 NE2 GLN A 45 4.453 -8.858 -9.296 1.00 0.00 N ATOM 0 H GLN A 45 4.294 -8.163 -4.413 1.00 0.00 H new ATOM 0 HA GLN A 45 1.831 -8.817 -5.599 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.589 -10.119 -6.085 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.289 -9.986 -7.254 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.614 -7.447 -7.183 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.047 -7.724 -6.213 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.440 -8.935 -9.208 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.906 -9.080 -10.182 1.00 0.00 H new ATOM 666 N TYR A 46 3.340 -11.111 -3.825 1.00 0.00 N ATOM 667 CA TYR A 46 3.452 -12.504 -3.526 1.00 0.00 C ATOM 668 C TYR A 46 2.626 -12.856 -2.337 1.00 0.00 C ATOM 669 O TYR A 46 2.363 -12.018 -1.477 1.00 0.00 O ATOM 670 CB TYR A 46 4.908 -12.867 -3.190 1.00 0.00 C ATOM 671 CG TYR A 46 5.874 -12.691 -4.312 1.00 0.00 C ATOM 672 CD1 TYR A 46 6.351 -11.450 -4.661 1.00 0.00 C ATOM 673 CD2 TYR A 46 6.396 -13.800 -4.935 1.00 0.00 C ATOM 674 CE1 TYR A 46 7.335 -11.312 -5.610 1.00 0.00 C ATOM 675 CE2 TYR A 46 7.396 -13.675 -5.870 1.00 0.00 C ATOM 676 CZ TYR A 46 7.871 -12.429 -6.206 1.00 0.00 C ATOM 677 OH TYR A 46 8.922 -12.289 -7.138 1.00 0.00 O ATOM 0 H TYR A 46 3.957 -10.523 -3.265 1.00 0.00 H new ATOM 0 HA TYR A 46 3.110 -13.051 -4.405 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.235 -12.255 -2.349 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.941 -13.905 -2.861 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.946 -10.571 -4.182 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.016 -14.780 -4.687 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.686 -10.329 -5.887 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.808 -14.555 -6.341 1.00 0.00 H new ATOM 0 HH TYR A 46 9.188 -13.173 -7.466 1.00 0.00 H new ATOM 687 N ARG A 47 2.213 -14.130 -2.206 1.00 0.00 N ATOM 688 CA ARG A 47 1.548 -14.649 -1.050 1.00 0.00 C ATOM 689 C ARG A 47 2.530 -15.379 -0.202 1.00 0.00 C ATOM 690 O ARG A 47 3.450 -16.021 -0.707 1.00 0.00 O ATOM 691 CB ARG A 47 0.421 -15.601 -1.485 1.00 0.00 C ATOM 692 CG ARG A 47 -0.554 -16.045 -0.393 1.00 0.00 C ATOM 693 CD ARG A 47 -1.651 -16.977 -0.912 1.00 0.00 C ATOM 694 NE ARG A 47 -2.591 -17.241 0.214 1.00 0.00 N ATOM 695 CZ ARG A 47 -3.439 -18.309 0.268 1.00 0.00 C ATOM 696 NH1 ARG A 47 -3.381 -19.359 -0.602 1.00 0.00 N ATOM 697 NH2 ARG A 47 -4.414 -18.335 1.223 1.00 0.00 N ATOM 0 H ARG A 47 2.348 -14.828 -2.937 1.00 0.00 H new ATOM 0 HA ARG A 47 1.117 -13.828 -0.477 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.150 -15.115 -2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.875 -16.491 -1.920 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.001 -16.551 0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.015 -15.164 0.054 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.177 -16.519 -1.750 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.220 -17.909 -1.277 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.601 -16.582 0.993 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.677 -19.371 -1.340 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.041 -20.131 -0.514 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.501 -17.563 1.884 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.055 -19.126 1.276 1.00 0.00 H new ATOM 711 N ASP A 48 2.385 -15.340 1.134 1.00 0.00 N ATOM 712 CA ASP A 48 3.194 -16.089 2.046 1.00 0.00 C ATOM 713 C ASP A 48 2.693 -17.489 2.137 1.00 0.00 C ATOM 714 O ASP A 48 1.818 -17.831 2.930 1.00 0.00 O ATOM 715 CB ASP A 48 3.222 -15.387 3.415 1.00 0.00 C ATOM 716 CG ASP A 48 4.406 -15.784 4.284 1.00 0.00 C ATOM 717 OD1 ASP A 48 4.742 -16.995 4.386 1.00 0.00 O ATOM 718 OD2 ASP A 48 5.018 -14.864 4.890 1.00 0.00 O ATOM 0 H ASP A 48 1.679 -14.767 1.597 1.00 0.00 H new ATOM 0 HA ASP A 48 4.220 -16.135 1.682 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.243 -14.308 3.259 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.299 -15.614 3.949 1.00 0.00 H new ATOM 723 N LEU A 49 3.220 -18.391 1.289 1.00 0.00 N ATOM 724 CA LEU A 49 2.786 -19.750 1.203 1.00 0.00 C ATOM 725 C LEU A 49 3.349 -20.571 2.313 1.00 0.00 C ATOM 726 O LEU A 49 2.765 -21.565 2.741 1.00 0.00 O ATOM 727 CB LEU A 49 3.192 -20.347 -0.154 1.00 0.00 C ATOM 728 CG LEU A 49 2.725 -21.788 -0.420 1.00 0.00 C ATOM 729 CD1 LEU A 49 1.195 -21.932 -0.382 1.00 0.00 C ATOM 730 CD2 LEU A 49 3.268 -22.281 -1.772 1.00 0.00 C ATOM 0 H LEU A 49 3.975 -18.165 0.641 1.00 0.00 H new ATOM 0 HA LEU A 49 1.700 -19.764 1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.799 -19.706 -0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.279 -20.318 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 49 3.125 -22.405 0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.922 -22.969 -0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.826 -21.638 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.750 -21.291 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.931 -23.302 -1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.901 -21.634 -2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.358 -22.256 -1.757 1.00 0.00 H new ATOM 742 N LYS A 50 4.489 -20.141 2.881 1.00 0.00 N ATOM 743 CA LYS A 50 5.110 -20.748 4.017 1.00 0.00 C ATOM 744 C LYS A 50 4.255 -20.653 5.233 1.00 0.00 C ATOM 745 O LYS A 50 4.287 -21.526 6.098 1.00 0.00 O ATOM 746 CB LYS A 50 6.492 -20.126 4.276 1.00 0.00 C ATOM 747 CG LYS A 50 7.645 -20.669 3.429 1.00 0.00 C ATOM 748 CD LYS A 50 7.675 -20.291 1.946 1.00 0.00 C ATOM 749 CE LYS A 50 8.106 -18.852 1.657 1.00 0.00 C ATOM 750 NZ LYS A 50 8.220 -18.632 0.197 1.00 0.00 N ATOM 0 H LYS A 50 5.002 -19.332 2.532 1.00 0.00 H new ATOM 0 HA LYS A 50 5.240 -21.806 3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.421 -19.051 4.110 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.741 -20.270 5.327 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.579 -20.334 3.880 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.629 -21.757 3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.352 -20.969 1.427 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.682 -20.449 1.526 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.382 -18.156 2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.063 -18.648 2.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.513 -17.651 0.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.928 -19.284 -0.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.299 -18.807 -0.253 1.00 0.00 H new ATOM 764 N TRP A 51 3.409 -19.611 5.319 1.00 0.00 N ATOM 765 CA TRP A 51 2.428 -19.411 6.341 1.00 0.00 C ATOM 766 C TRP A 51 1.195 -20.219 6.128 1.00 0.00 C ATOM 767 O TRP A 51 0.610 -20.745 7.074 1.00 0.00 O ATOM 768 CB TRP A 51 2.113 -17.908 6.411 1.00 0.00 C ATOM 769 CG TRP A 51 1.049 -17.473 7.390 1.00 0.00 C ATOM 770 CD1 TRP A 51 0.922 -17.848 8.697 1.00 0.00 C ATOM 771 CD2 TRP A 51 -0.044 -16.574 7.119 1.00 0.00 C ATOM 772 NE1 TRP A 51 -0.211 -17.299 9.237 1.00 0.00 N ATOM 773 CE2 TRP A 51 -0.815 -16.511 8.286 1.00 0.00 C ATOM 774 CE3 TRP A 51 -0.392 -15.855 6.008 1.00 0.00 C ATOM 775 CZ2 TRP A 51 -1.944 -15.740 8.336 1.00 0.00 C ATOM 776 CZ3 TRP A 51 -1.515 -15.066 6.081 1.00 0.00 C ATOM 777 CH2 TRP A 51 -2.285 -15.013 7.220 1.00 0.00 C ATOM 0 H TRP A 51 3.411 -18.859 4.629 1.00 0.00 H new ATOM 0 HA TRP A 51 2.834 -19.757 7.291 1.00 0.00 H new ATOM 0 HB2 TRP A 51 3.035 -17.380 6.657 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.812 -17.579 5.416 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.614 -18.485 9.228 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -0.550 -17.450 10.187 1.00 0.00 H new ATOM 0 HE3 TRP A 51 0.196 -15.906 5.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -2.551 -15.703 9.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -1.800 -14.474 5.224 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -3.169 -14.392 7.238 1.00 0.00 H new ATOM 788 N TRP A 52 0.719 -20.362 4.878 1.00 0.00 N ATOM 789 CA TRP A 52 -0.478 -21.089 4.586 1.00 0.00 C ATOM 790 C TRP A 52 -0.313 -22.568 4.523 1.00 0.00 C ATOM 791 O TRP A 52 -1.227 -23.315 4.867 1.00 0.00 O ATOM 792 CB TRP A 52 -1.164 -20.548 3.321 1.00 0.00 C ATOM 793 CG TRP A 52 -1.914 -19.269 3.606 1.00 0.00 C ATOM 794 CD1 TRP A 52 -1.556 -17.970 3.382 1.00 0.00 C ATOM 795 CD2 TRP A 52 -3.156 -19.227 4.333 1.00 0.00 C ATOM 796 NE1 TRP A 52 -2.494 -17.125 3.913 1.00 0.00 N ATOM 797 CE2 TRP A 52 -3.478 -17.876 4.513 1.00 0.00 C ATOM 798 CE3 TRP A 52 -3.961 -20.212 4.836 1.00 0.00 C ATOM 799 CZ2 TRP A 52 -4.598 -17.507 5.207 1.00 0.00 C ATOM 800 CZ3 TRP A 52 -5.090 -19.830 5.521 1.00 0.00 C ATOM 801 CH2 TRP A 52 -5.401 -18.504 5.707 1.00 0.00 C ATOM 0 H TRP A 52 1.173 -19.966 4.055 1.00 0.00 H new ATOM 0 HA TRP A 52 -1.128 -20.917 5.444 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -0.417 -20.369 2.548 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.853 -21.297 2.930 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.663 -17.655 2.862 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -2.467 -16.106 3.871 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -3.718 -21.255 4.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -4.843 -16.466 5.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -5.747 -20.588 5.922 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -6.293 -18.241 6.256 1.00 0.00 H new ATOM 812 N GLU A 53 0.861 -23.084 4.117 1.00 0.00 N ATOM 813 CA GLU A 53 1.150 -24.486 4.121 1.00 0.00 C ATOM 814 C GLU A 53 1.710 -24.928 5.428 1.00 0.00 C ATOM 815 O GLU A 53 2.855 -25.363 5.556 1.00 0.00 O ATOM 816 CB GLU A 53 2.026 -24.885 2.922 1.00 0.00 C ATOM 817 CG GLU A 53 2.108 -26.384 2.627 1.00 0.00 C ATOM 818 CD GLU A 53 0.790 -27.016 2.206 1.00 0.00 C ATOM 819 OE1 GLU A 53 -0.125 -27.170 3.058 1.00 0.00 O ATOM 820 OE2 GLU A 53 0.666 -27.416 1.018 1.00 0.00 O ATOM 0 H GLU A 53 1.632 -22.510 3.776 1.00 0.00 H new ATOM 0 HA GLU A 53 0.208 -25.022 4.001 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.646 -24.379 2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.036 -24.512 3.094 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.843 -26.547 1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.475 -26.897 3.516 1.00 0.00 H new ATOM 827 N LEU A 54 0.872 -24.818 6.474 1.00 0.00 N ATOM 828 CA LEU A 54 1.072 -25.292 7.808 1.00 0.00 C ATOM 829 C LEU A 54 -0.112 -26.153 8.222 1.00 0.00 C ATOM 830 O LEU A 54 -1.026 -26.397 7.391 1.00 0.00 O ATOM 831 CB LEU A 54 1.182 -24.118 8.797 1.00 0.00 C ATOM 832 CG LEU A 54 2.433 -23.237 8.648 1.00 0.00 C ATOM 833 CD1 LEU A 54 2.348 -22.039 9.608 1.00 0.00 C ATOM 834 CD2 LEU A 54 3.731 -24.022 8.908 1.00 0.00 C ATOM 835 OXT LEU A 54 -0.176 -26.581 9.405 1.00 0.00 O ATOM 0 H LEU A 54 -0.030 -24.353 6.374 1.00 0.00 H new ATOM 0 HA LEU A 54 1.997 -25.869 7.828 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.300 -23.487 8.684 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.160 -24.518 9.811 1.00 0.00 H new ATOM 0 HG LEU A 54 2.463 -22.885 7.617 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.238 -21.420 9.497 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.463 -21.448 9.374 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.283 -22.399 10.635 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.587 -23.358 8.791 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.718 -24.422 9.922 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.809 -24.843 8.195 1.00 0.00 H new