USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 381 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 26 GLN :FLIP amide:sc= -2.25! C(o=-3.2!,f=-1.5!) USER MOD Set 1.2: A 27 THR OG1 : rot 46:sc= 0.761 USER MOD Set 2.1: A 22 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 24 GLN : amide:sc= -3.26! C(o=-1.3!,f=-2.5!) USER MOD Set 2.3: A 36 THR OG1 : rot 126:sc= 1.93 USER MOD Set 3.1: A 21 THR OG1 : rot 163:sc= 0.121 USER MOD Set 3.2: A 41 ASN : amide:sc= -0.247 K(o=-0.13,f=-1!) USER MOD Single : A 1 LYS N :NH3+ 172:sc= -0.0357 (180deg=-0.166) USER MOD Single : A 1 LYS NZ :NH3+ -136:sc= 0.0279 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 110:sc= -0.121 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 154:sc= 0.599 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -131:sc= -0.906 (180deg=-3.71!) USER MOD Single : A 16 LYS NZ :NH3+ -122:sc= -0.0313 (180deg=-2.41!) USER MOD Single : A 17 LYS NZ :NH3+ -126:sc= -1.94! (180deg=-4.72!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.365 X(o=-0.36,f=-0.11) USER MOD Single : A 20 CYS SG : rot 170:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0212 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.75 X(o=-1.7,f=-2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot 49:sc= -0.154 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 10.822 -0.247 8.200 1.00 0.00 N ATOM 2 CA LYS A 1 10.360 0.849 7.298 1.00 0.00 C ATOM 3 C LYS A 1 8.948 0.586 6.758 1.00 0.00 C ATOM 4 O LYS A 1 8.758 0.189 5.625 1.00 0.00 O ATOM 5 CB LYS A 1 11.351 1.036 6.095 1.00 0.00 C ATOM 6 CG LYS A 1 11.802 -0.315 5.475 1.00 0.00 C ATOM 7 CD LYS A 1 12.662 -0.029 4.217 1.00 0.00 C ATOM 8 CE LYS A 1 13.223 -1.356 3.672 1.00 0.00 C ATOM 9 NZ LYS A 1 14.031 -1.108 2.441 1.00 0.00 N ATOM 0 H1 LYS A 1 11.825 -0.103 8.436 1.00 0.00 H new ATOM 0 H2 LYS A 1 10.257 -0.240 9.073 1.00 0.00 H new ATOM 0 H3 LYS A 1 10.707 -1.163 7.721 1.00 0.00 H new ATOM 0 HA LYS A 1 10.336 1.761 7.894 1.00 0.00 H new ATOM 0 HB2 LYS A 1 10.872 1.642 5.326 1.00 0.00 H new ATOM 0 HB3 LYS A 1 12.228 1.586 6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 1 12.376 -0.890 6.201 1.00 0.00 H new ATOM 0 HG3 LYS A 1 10.933 -0.916 5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 1 12.059 0.465 3.455 1.00 0.00 H new ATOM 0 HD3 LYS A 1 13.478 0.649 4.467 1.00 0.00 H new ATOM 0 HE2 LYS A 1 13.841 -1.837 4.430 1.00 0.00 H new ATOM 0 HE3 LYS A 1 12.405 -2.040 3.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 13.794 -1.820 1.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 13.820 -0.159 2.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 15.043 -1.172 2.671 1.00 0.00 H new ATOM 25 N THR A 2 8.014 0.836 7.643 1.00 0.00 N ATOM 26 CA THR A 2 6.536 0.679 7.416 1.00 0.00 C ATOM 27 C THR A 2 6.167 -0.097 6.137 1.00 0.00 C ATOM 28 O THR A 2 5.848 0.461 5.103 1.00 0.00 O ATOM 29 CB THR A 2 5.922 2.103 7.393 1.00 0.00 C ATOM 30 OG1 THR A 2 6.364 2.712 8.600 1.00 0.00 O ATOM 31 CG2 THR A 2 4.397 2.071 7.562 1.00 0.00 C ATOM 0 H THR A 2 8.234 1.167 8.582 1.00 0.00 H new ATOM 0 HA THR A 2 6.130 0.073 8.226 1.00 0.00 H new ATOM 0 HB THR A 2 6.197 2.593 6.459 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.012 3.625 8.654 1.00 0.00 H new ATOM 0 HG21 THR A 2 4.007 3.089 7.540 1.00 0.00 H new ATOM 0 HG22 THR A 2 3.953 1.495 6.750 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.146 1.607 8.516 1.00 0.00 H new ATOM 39 N GLY A 3 6.243 -1.393 6.283 1.00 0.00 N ATOM 40 CA GLY A 3 5.930 -2.337 5.171 1.00 0.00 C ATOM 41 C GLY A 3 4.718 -3.178 5.575 1.00 0.00 C ATOM 42 O GLY A 3 3.764 -3.278 4.829 1.00 0.00 O ATOM 0 H GLY A 3 6.517 -1.849 7.153 1.00 0.00 H new ATOM 0 HA2 GLY A 3 5.720 -1.786 4.254 1.00 0.00 H new ATOM 0 HA3 GLY A 3 6.786 -2.980 4.968 1.00 0.00 H new ATOM 46 N GLY A 4 4.823 -3.744 6.753 1.00 0.00 N ATOM 47 CA GLY A 4 3.749 -4.607 7.342 1.00 0.00 C ATOM 48 C GLY A 4 3.237 -3.931 8.610 1.00 0.00 C ATOM 49 O GLY A 4 3.724 -4.186 9.694 1.00 0.00 O ATOM 0 H GLY A 4 5.641 -3.639 7.353 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.936 -4.742 6.629 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.141 -5.598 7.571 1.00 0.00 H new ATOM 53 N THR A 5 2.265 -3.082 8.409 1.00 0.00 N ATOM 54 CA THR A 5 1.633 -2.316 9.531 1.00 0.00 C ATOM 55 C THR A 5 0.171 -2.747 9.714 1.00 0.00 C ATOM 56 O THR A 5 -0.274 -3.023 10.811 1.00 0.00 O ATOM 57 CB THR A 5 1.711 -0.804 9.185 1.00 0.00 C ATOM 58 OG1 THR A 5 3.079 -0.575 8.875 1.00 0.00 O ATOM 59 CG2 THR A 5 1.443 0.086 10.418 1.00 0.00 C ATOM 0 H THR A 5 1.870 -2.880 7.490 1.00 0.00 H new ATOM 0 HA THR A 5 2.159 -2.515 10.465 1.00 0.00 H new ATOM 0 HB THR A 5 0.990 -0.574 8.401 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.172 -0.402 7.915 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.508 1.135 10.130 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.447 -0.123 10.808 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.185 -0.125 11.188 1.00 0.00 H new ATOM 67 N GLN A 6 -0.482 -2.764 8.582 1.00 0.00 N ATOM 68 CA GLN A 6 -1.929 -3.125 8.362 1.00 0.00 C ATOM 69 C GLN A 6 -2.635 -1.754 8.287 1.00 0.00 C ATOM 70 O GLN A 6 -3.797 -1.593 8.602 1.00 0.00 O ATOM 71 CB GLN A 6 -2.513 -3.956 9.544 1.00 0.00 C ATOM 72 CG GLN A 6 -3.803 -4.667 9.068 1.00 0.00 C ATOM 73 CD GLN A 6 -4.453 -5.396 10.244 1.00 0.00 C ATOM 74 OE1 GLN A 6 -3.832 -6.184 10.932 1.00 0.00 O ATOM 75 NE2 GLN A 6 -5.709 -5.155 10.498 1.00 0.00 N ATOM 0 H GLN A 6 -0.020 -2.515 7.707 1.00 0.00 H new ATOM 0 HA GLN A 6 -2.062 -3.742 7.473 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -1.783 -4.689 9.886 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -2.732 -3.305 10.391 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -4.498 -3.939 8.650 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -3.567 -5.375 8.274 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -6.228 -4.494 9.920 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -6.172 -5.627 11.274 1.00 0.00 H new ATOM 84 N THR A 7 -1.826 -0.821 7.849 1.00 0.00 N ATOM 85 CA THR A 7 -2.132 0.618 7.644 1.00 0.00 C ATOM 86 C THR A 7 -3.585 1.109 7.635 1.00 0.00 C ATOM 87 O THR A 7 -3.830 2.141 8.231 1.00 0.00 O ATOM 88 CB THR A 7 -1.401 1.021 6.336 1.00 0.00 C ATOM 89 OG1 THR A 7 -1.296 2.433 6.413 1.00 0.00 O ATOM 90 CG2 THR A 7 -2.202 0.821 5.041 1.00 0.00 C ATOM 0 H THR A 7 -0.861 -1.039 7.602 1.00 0.00 H new ATOM 0 HA THR A 7 -1.787 1.114 8.551 1.00 0.00 H new ATOM 0 HB THR A 7 -0.492 0.422 6.283 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.522 2.732 5.891 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.599 1.133 4.188 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.464 -0.232 4.934 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.112 1.419 5.080 1.00 0.00 H new ATOM 98 N ASP A 8 -4.485 0.389 6.992 1.00 0.00 N ATOM 99 CA ASP A 8 -5.946 0.791 6.911 1.00 0.00 C ATOM 100 C ASP A 8 -6.045 2.334 6.869 1.00 0.00 C ATOM 101 O ASP A 8 -6.712 2.993 7.642 1.00 0.00 O ATOM 102 CB ASP A 8 -6.736 0.228 8.154 1.00 0.00 C ATOM 103 CG ASP A 8 -6.268 0.808 9.508 1.00 0.00 C ATOM 104 OD1 ASP A 8 -5.212 0.395 9.959 1.00 0.00 O ATOM 105 OD2 ASP A 8 -7.004 1.639 10.017 1.00 0.00 O ATOM 0 H ASP A 8 -4.267 -0.482 6.507 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.388 0.374 6.006 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.797 0.442 8.025 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.630 -0.857 8.178 1.00 0.00 H new ATOM 110 N LEU A 9 -5.325 2.826 5.899 1.00 0.00 N ATOM 111 CA LEU A 9 -5.179 4.282 5.576 1.00 0.00 C ATOM 112 C LEU A 9 -5.864 4.506 4.227 1.00 0.00 C ATOM 113 O LEU A 9 -6.496 5.512 3.964 1.00 0.00 O ATOM 114 CB LEU A 9 -3.652 4.605 5.474 1.00 0.00 C ATOM 115 CG LEU A 9 -3.108 5.685 6.420 1.00 0.00 C ATOM 116 CD1 LEU A 9 -3.414 5.368 7.900 1.00 0.00 C ATOM 117 CD2 LEU A 9 -1.558 5.684 6.215 1.00 0.00 C ATOM 0 H LEU A 9 -4.790 2.230 5.268 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.626 4.924 6.335 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.097 3.684 5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.437 4.911 4.450 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.572 6.646 6.197 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.011 6.159 8.532 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.493 5.304 8.043 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.955 4.417 8.171 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.105 6.435 6.863 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.159 4.701 6.464 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.328 5.916 5.175 1.00 0.00 H new ATOM 129 N PHE A 10 -5.680 3.493 3.428 1.00 0.00 N ATOM 130 CA PHE A 10 -6.211 3.426 2.045 1.00 0.00 C ATOM 131 C PHE A 10 -7.282 2.340 1.895 1.00 0.00 C ATOM 132 O PHE A 10 -7.292 1.372 2.632 1.00 0.00 O ATOM 133 CB PHE A 10 -4.999 3.176 1.216 1.00 0.00 C ATOM 134 CG PHE A 10 -4.046 4.372 1.260 1.00 0.00 C ATOM 135 CD1 PHE A 10 -4.438 5.603 0.773 1.00 0.00 C ATOM 136 CD2 PHE A 10 -2.787 4.223 1.798 1.00 0.00 C ATOM 137 CE1 PHE A 10 -3.581 6.678 0.831 1.00 0.00 C ATOM 138 CE2 PHE A 10 -1.931 5.299 1.856 1.00 0.00 C ATOM 139 CZ PHE A 10 -2.324 6.526 1.374 1.00 0.00 C ATOM 0 H PHE A 10 -5.152 2.664 3.699 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.729 4.336 1.741 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.486 2.284 1.576 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.294 2.980 0.185 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.422 5.723 0.344 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.471 3.261 2.175 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.893 7.640 0.451 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.946 5.180 2.282 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.649 7.368 1.421 1.00 0.00 H new ATOM 149 N THR A 11 -8.146 2.541 0.932 1.00 0.00 N ATOM 150 CA THR A 11 -9.245 1.569 0.660 1.00 0.00 C ATOM 151 C THR A 11 -8.947 0.811 -0.627 1.00 0.00 C ATOM 152 O THR A 11 -8.251 1.286 -1.504 1.00 0.00 O ATOM 153 CB THR A 11 -10.595 2.332 0.509 1.00 0.00 C ATOM 154 OG1 THR A 11 -11.089 2.460 1.834 1.00 0.00 O ATOM 155 CG2 THR A 11 -11.675 1.538 -0.292 1.00 0.00 C ATOM 0 H THR A 11 -8.135 3.352 0.313 1.00 0.00 H new ATOM 0 HA THR A 11 -9.317 0.866 1.490 1.00 0.00 H new ATOM 0 HB THR A 11 -10.417 3.266 -0.023 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.945 2.937 1.819 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.588 2.130 -0.357 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.304 1.331 -1.296 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.888 0.598 0.217 1.00 0.00 H new ATOM 163 N CYS A 12 -9.525 -0.358 -0.666 1.00 0.00 N ATOM 164 CA CYS A 12 -9.379 -1.259 -1.830 1.00 0.00 C ATOM 165 C CYS A 12 -10.525 -0.864 -2.752 1.00 0.00 C ATOM 166 O CYS A 12 -11.683 -0.947 -2.384 1.00 0.00 O ATOM 167 CB CYS A 12 -9.578 -2.681 -1.445 1.00 0.00 C ATOM 168 SG CYS A 12 -9.686 -3.756 -2.890 1.00 0.00 S ATOM 0 H CYS A 12 -10.107 -0.730 0.084 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.387 -1.170 -2.273 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.752 -3.005 -0.811 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -10.489 -2.774 -0.854 1.00 0.00 H new ATOM 173 N GLY A 13 -10.160 -0.445 -3.930 1.00 0.00 N ATOM 174 CA GLY A 13 -11.191 -0.028 -4.918 1.00 0.00 C ATOM 175 C GLY A 13 -11.979 -1.202 -5.505 1.00 0.00 C ATOM 176 O GLY A 13 -12.612 -1.034 -6.530 1.00 0.00 O ATOM 0 H GLY A 13 -9.194 -0.373 -4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.885 0.663 -4.439 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.708 0.517 -5.729 1.00 0.00 H new ATOM 180 N LYS A 14 -11.928 -2.345 -4.853 1.00 0.00 N ATOM 181 CA LYS A 14 -12.675 -3.543 -5.360 1.00 0.00 C ATOM 182 C LYS A 14 -13.646 -4.143 -4.329 1.00 0.00 C ATOM 183 O LYS A 14 -14.828 -4.234 -4.602 1.00 0.00 O ATOM 184 CB LYS A 14 -11.696 -4.629 -5.778 1.00 0.00 C ATOM 185 CG LYS A 14 -10.845 -4.065 -6.927 1.00 0.00 C ATOM 186 CD LYS A 14 -9.644 -4.960 -7.166 1.00 0.00 C ATOM 187 CE LYS A 14 -8.771 -4.296 -8.244 1.00 0.00 C ATOM 188 NZ LYS A 14 -7.431 -4.942 -8.288 1.00 0.00 N ATOM 0 H LYS A 14 -11.401 -2.498 -3.993 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.264 -3.190 -6.206 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.064 -4.919 -4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.230 -5.524 -6.099 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.444 -3.995 -7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.515 -3.055 -6.685 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.078 -5.094 -6.244 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.964 -5.950 -7.490 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.255 -4.379 -9.217 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.664 -3.232 -8.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.692 -4.210 -8.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.319 -5.566 -7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.344 -5.502 -9.160 1.00 0.00 H new ATOM 202 N CYS A 15 -13.138 -4.533 -3.178 1.00 0.00 N ATOM 203 CA CYS A 15 -14.034 -5.128 -2.127 1.00 0.00 C ATOM 204 C CYS A 15 -14.551 -4.032 -1.179 1.00 0.00 C ATOM 205 O CYS A 15 -15.417 -4.273 -0.361 1.00 0.00 O ATOM 206 CB CYS A 15 -13.241 -6.222 -1.346 1.00 0.00 C ATOM 207 SG CYS A 15 -11.596 -5.888 -0.679 1.00 0.00 S ATOM 0 H CYS A 15 -12.153 -4.466 -2.923 1.00 0.00 H new ATOM 0 HA CYS A 15 -14.902 -5.588 -2.599 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -13.867 -6.532 -0.509 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -13.147 -7.082 -2.010 1.00 0.00 H new ATOM 212 N LYS A 16 -13.979 -2.861 -1.333 1.00 0.00 N ATOM 213 CA LYS A 16 -14.321 -1.637 -0.548 1.00 0.00 C ATOM 214 C LYS A 16 -14.106 -1.876 0.956 1.00 0.00 C ATOM 215 O LYS A 16 -14.991 -1.601 1.745 1.00 0.00 O ATOM 216 CB LYS A 16 -15.794 -1.290 -0.872 1.00 0.00 C ATOM 217 CG LYS A 16 -16.054 -1.048 -2.395 1.00 0.00 C ATOM 218 CD LYS A 16 -15.182 0.105 -2.950 1.00 0.00 C ATOM 219 CE LYS A 16 -15.389 0.234 -4.465 1.00 0.00 C ATOM 220 NZ LYS A 16 -14.401 1.204 -5.016 1.00 0.00 N ATOM 0 H LYS A 16 -13.241 -2.700 -2.018 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.673 -0.803 -0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -16.435 -2.101 -0.526 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -16.080 -0.397 -0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -15.844 -1.962 -2.950 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -17.107 -0.815 -2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -15.445 1.041 -2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -14.131 -0.085 -2.733 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -15.268 -0.738 -4.944 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -16.404 0.570 -4.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.904 1.978 -5.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.826 1.591 -4.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.783 0.720 -5.698 1.00 0.00 H new ATOM 234 N LYS A 17 -12.950 -2.381 1.330 1.00 0.00 N ATOM 235 CA LYS A 17 -12.677 -2.640 2.766 1.00 0.00 C ATOM 236 C LYS A 17 -11.398 -1.883 3.135 1.00 0.00 C ATOM 237 O LYS A 17 -10.776 -1.291 2.271 1.00 0.00 O ATOM 238 CB LYS A 17 -12.516 -4.156 2.932 1.00 0.00 C ATOM 239 CG LYS A 17 -13.687 -4.939 2.236 1.00 0.00 C ATOM 240 CD LYS A 17 -14.085 -6.272 2.945 1.00 0.00 C ATOM 241 CE LYS A 17 -14.362 -6.111 4.462 1.00 0.00 C ATOM 242 NZ LYS A 17 -13.086 -6.128 5.239 1.00 0.00 N ATOM 0 H LYS A 17 -12.189 -2.622 0.695 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.479 -2.301 3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.563 -4.471 2.506 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.489 -4.406 3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.563 -4.292 2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.399 -5.161 1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -14.974 -6.678 2.463 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.286 -7.000 2.806 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -14.890 -5.175 4.642 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -15.013 -6.916 4.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.142 -6.853 5.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.294 -6.346 4.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.933 -5.196 5.675 1.00 0.00 H new ATOM 256 N LYS A 18 -11.062 -1.935 4.399 1.00 0.00 N ATOM 257 CA LYS A 18 -9.832 -1.240 4.897 1.00 0.00 C ATOM 258 C LYS A 18 -8.783 -2.158 5.551 1.00 0.00 C ATOM 259 O LYS A 18 -8.220 -1.834 6.579 1.00 0.00 O ATOM 260 CB LYS A 18 -10.286 -0.131 5.893 1.00 0.00 C ATOM 261 CG LYS A 18 -10.775 1.089 5.085 1.00 0.00 C ATOM 262 CD LYS A 18 -11.058 2.299 6.004 1.00 0.00 C ATOM 263 CE LYS A 18 -12.272 2.059 6.919 1.00 0.00 C ATOM 264 NZ LYS A 18 -12.514 3.279 7.740 1.00 0.00 N ATOM 0 H LYS A 18 -11.591 -2.433 5.115 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.320 -0.826 4.028 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.084 -0.503 6.535 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.459 0.154 6.544 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.023 1.361 4.344 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.681 0.826 4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.179 2.503 6.615 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.234 3.184 5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.153 1.828 6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.091 1.200 7.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.334 3.123 8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.674 3.480 8.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.703 4.087 7.113 1.00 0.00 H new ATOM 278 N ASN A 19 -8.538 -3.288 4.933 1.00 0.00 N ATOM 279 CA ASN A 19 -7.522 -4.241 5.479 1.00 0.00 C ATOM 280 C ASN A 19 -6.481 -4.356 4.374 1.00 0.00 C ATOM 281 O ASN A 19 -6.179 -5.388 3.804 1.00 0.00 O ATOM 282 CB ASN A 19 -8.180 -5.589 5.780 1.00 0.00 C ATOM 283 CG ASN A 19 -7.127 -6.545 6.376 1.00 0.00 C ATOM 284 OD1 ASN A 19 -6.568 -6.298 7.427 1.00 0.00 O ATOM 285 ND2 ASN A 19 -6.824 -7.642 5.735 1.00 0.00 N ATOM 0 H ASN A 19 -8.998 -3.591 4.074 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.076 -3.906 6.416 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.005 -5.456 6.479 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.600 -6.014 4.868 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.126 -8.280 6.117 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.286 -7.861 4.852 1.00 0.00 H new ATOM 292 N CYS A 20 -5.974 -3.181 4.144 1.00 0.00 N ATOM 293 CA CYS A 20 -4.928 -2.923 3.131 1.00 0.00 C ATOM 294 C CYS A 20 -3.696 -2.547 3.957 1.00 0.00 C ATOM 295 O CYS A 20 -3.792 -2.067 5.073 1.00 0.00 O ATOM 296 CB CYS A 20 -5.349 -1.743 2.235 1.00 0.00 C ATOM 297 SG CYS A 20 -6.883 -1.941 1.296 1.00 0.00 S ATOM 0 H CYS A 20 -6.264 -2.344 4.650 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.749 -3.776 2.476 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -5.446 -0.857 2.863 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.541 -1.547 1.530 1.00 0.00 H new ATOM 0 HG CYS A 20 -7.216 -0.803 0.764 1.00 0.00 H new ATOM 303 N THR A 21 -2.580 -2.796 3.347 1.00 0.00 N ATOM 304 CA THR A 21 -1.248 -2.504 3.955 1.00 0.00 C ATOM 305 C THR A 21 -0.461 -1.647 2.967 1.00 0.00 C ATOM 306 O THR A 21 -0.569 -1.875 1.777 1.00 0.00 O ATOM 307 CB THR A 21 -0.548 -3.852 4.215 1.00 0.00 C ATOM 308 OG1 THR A 21 -1.124 -4.352 5.410 1.00 0.00 O ATOM 309 CG2 THR A 21 0.936 -3.728 4.540 1.00 0.00 C ATOM 0 H THR A 21 -2.528 -3.206 2.415 1.00 0.00 H new ATOM 0 HA THR A 21 -1.331 -1.963 4.897 1.00 0.00 H new ATOM 0 HB THR A 21 -0.662 -4.462 3.319 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.933 -5.310 5.489 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.355 -4.720 4.710 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.453 -3.253 3.706 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.063 -3.122 5.437 1.00 0.00 H new ATOM 317 N TYR A 22 0.297 -0.689 3.457 1.00 0.00 N ATOM 318 CA TYR A 22 1.074 0.145 2.496 1.00 0.00 C ATOM 319 C TYR A 22 2.555 0.010 2.811 1.00 0.00 C ATOM 320 O TYR A 22 2.987 -0.136 3.938 1.00 0.00 O ATOM 321 CB TYR A 22 0.585 1.649 2.565 1.00 0.00 C ATOM 322 CG TYR A 22 0.982 2.547 3.765 1.00 0.00 C ATOM 323 CD1 TYR A 22 1.276 2.107 5.034 1.00 0.00 C ATOM 324 CD2 TYR A 22 1.021 3.911 3.547 1.00 0.00 C ATOM 325 CE1 TYR A 22 1.594 2.987 6.045 1.00 0.00 C ATOM 326 CE2 TYR A 22 1.337 4.797 4.552 1.00 0.00 C ATOM 327 CZ TYR A 22 1.627 4.342 5.813 1.00 0.00 C ATOM 328 OH TYR A 22 1.949 5.224 6.824 1.00 0.00 O ATOM 0 H TYR A 22 0.406 -0.458 4.445 1.00 0.00 H new ATOM 0 HA TYR A 22 0.910 -0.199 1.475 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.938 2.145 1.661 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.504 1.637 2.518 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.257 1.048 5.243 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.798 4.292 2.562 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.820 2.608 7.031 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.357 5.857 4.346 1.00 0.00 H new ATOM 0 HH TYR A 22 1.924 6.141 6.479 1.00 0.00 H new ATOM 338 N THR A 23 3.261 0.066 1.722 1.00 0.00 N ATOM 339 CA THR A 23 4.734 -0.039 1.674 1.00 0.00 C ATOM 340 C THR A 23 5.273 1.320 1.247 1.00 0.00 C ATOM 341 O THR A 23 4.866 1.889 0.255 1.00 0.00 O ATOM 342 CB THR A 23 5.049 -1.173 0.665 1.00 0.00 C ATOM 343 OG1 THR A 23 4.724 -2.372 1.357 1.00 0.00 O ATOM 344 CG2 THR A 23 6.528 -1.308 0.330 1.00 0.00 C ATOM 0 H THR A 23 2.839 0.189 0.802 1.00 0.00 H new ATOM 0 HA THR A 23 5.201 -0.285 2.628 1.00 0.00 H new ATOM 0 HB THR A 23 4.506 -0.971 -0.258 1.00 0.00 H new ATOM 0 HG1 THR A 23 4.897 -3.142 0.776 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.667 -2.122 -0.381 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.888 -0.377 -0.109 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.089 -1.521 1.240 1.00 0.00 H new ATOM 352 N GLN A 24 6.184 1.763 2.061 1.00 0.00 N ATOM 353 CA GLN A 24 6.880 3.067 1.890 1.00 0.00 C ATOM 354 C GLN A 24 8.255 2.653 1.368 1.00 0.00 C ATOM 355 O GLN A 24 9.210 2.610 2.115 1.00 0.00 O ATOM 356 CB GLN A 24 6.903 3.734 3.305 1.00 0.00 C ATOM 357 CG GLN A 24 5.452 3.820 3.900 1.00 0.00 C ATOM 358 CD GLN A 24 4.644 4.934 3.228 1.00 0.00 C ATOM 359 OE1 GLN A 24 4.649 5.109 2.026 1.00 0.00 O ATOM 360 NE2 GLN A 24 3.915 5.727 3.966 1.00 0.00 N ATOM 0 H GLN A 24 6.491 1.244 2.884 1.00 0.00 H new ATOM 0 HA GLN A 24 6.431 3.791 1.210 1.00 0.00 H new ATOM 0 HB2 GLN A 24 7.542 3.158 3.974 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.333 4.733 3.235 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.943 2.866 3.765 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.506 4.003 4.973 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.892 5.603 4.978 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.369 6.470 3.530 1.00 0.00 H new ATOM 369 N VAL A 25 8.296 2.352 0.091 1.00 0.00 N ATOM 370 CA VAL A 25 9.558 1.914 -0.586 1.00 0.00 C ATOM 371 C VAL A 25 9.552 2.421 -2.045 1.00 0.00 C ATOM 372 O VAL A 25 8.579 2.972 -2.521 1.00 0.00 O ATOM 373 CB VAL A 25 9.632 0.331 -0.510 1.00 0.00 C ATOM 374 CG1 VAL A 25 10.987 -0.220 -1.011 1.00 0.00 C ATOM 375 CG2 VAL A 25 9.484 -0.163 0.955 1.00 0.00 C ATOM 0 H VAL A 25 7.485 2.393 -0.526 1.00 0.00 H new ATOM 0 HA VAL A 25 10.439 2.329 -0.096 1.00 0.00 H new ATOM 0 HB VAL A 25 8.819 -0.027 -1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.987 -1.308 -0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.138 0.074 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.793 0.184 -0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.538 -1.251 0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 25 10.287 0.254 1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.522 0.161 1.353 1.00 0.00 H new ATOM 385 N GLN A 26 10.665 2.204 -2.694 1.00 0.00 N ATOM 386 CA GLN A 26 10.901 2.600 -4.122 1.00 0.00 C ATOM 387 C GLN A 26 11.168 1.293 -4.899 1.00 0.00 C ATOM 388 O GLN A 26 10.945 0.215 -4.382 1.00 0.00 O ATOM 389 CB GLN A 26 12.138 3.540 -4.161 1.00 0.00 C ATOM 390 CG GLN A 26 12.267 4.294 -5.518 1.00 0.00 C ATOM 391 CD GLN A 26 13.449 3.833 -6.404 1.00 0.00 C ATOM 392 OE1 GLN A 26 14.316 2.944 -5.998 1.00 0.00 O flip ATOM 393 NE2 GLN A 26 13.594 4.305 -7.514 1.00 0.00 N flip ATOM 0 H GLN A 26 11.468 1.741 -2.268 1.00 0.00 H new ATOM 0 HA GLN A 26 10.055 3.127 -4.563 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.066 4.265 -3.351 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.041 2.955 -3.986 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.340 4.168 -6.078 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.375 5.360 -5.317 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.935 5.001 -7.862 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.375 4.005 -8.098 1.00 0.00 H new ATOM 402 N THR A 27 11.631 1.414 -6.116 1.00 0.00 N ATOM 403 CA THR A 27 11.929 0.192 -6.926 1.00 0.00 C ATOM 404 C THR A 27 13.358 -0.153 -6.510 1.00 0.00 C ATOM 405 O THR A 27 14.356 0.318 -7.020 1.00 0.00 O ATOM 406 CB THR A 27 11.907 0.464 -8.402 1.00 0.00 C ATOM 407 OG1 THR A 27 12.677 1.635 -8.653 1.00 0.00 O ATOM 408 CG2 THR A 27 10.492 0.730 -8.926 1.00 0.00 C ATOM 0 H THR A 27 11.816 2.301 -6.584 1.00 0.00 H new ATOM 0 HA THR A 27 11.194 -0.594 -6.753 1.00 0.00 H new ATOM 0 HB THR A 27 12.305 -0.417 -8.905 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.520 1.585 -8.155 1.00 0.00 H new ATOM 0 HG21 THR A 27 10.531 0.921 -9.998 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.864 -0.140 -8.735 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.073 1.599 -8.418 1.00 0.00 H new ATOM 416 N ARG A 28 13.292 -1.002 -5.535 1.00 0.00 N ATOM 417 CA ARG A 28 14.411 -1.628 -4.771 1.00 0.00 C ATOM 418 C ARG A 28 14.432 -0.600 -3.619 1.00 0.00 C ATOM 419 O ARG A 28 13.442 -0.499 -2.919 1.00 0.00 O ATOM 420 CB ARG A 28 15.777 -1.637 -5.570 1.00 0.00 C ATOM 421 CG ARG A 28 15.724 -2.419 -6.928 1.00 0.00 C ATOM 422 CD ARG A 28 14.999 -3.782 -6.829 1.00 0.00 C ATOM 423 NE ARG A 28 13.526 -3.533 -6.944 1.00 0.00 N ATOM 424 CZ ARG A 28 12.813 -4.018 -7.927 1.00 0.00 C ATOM 425 NH1 ARG A 28 13.361 -4.297 -9.084 1.00 0.00 N ATOM 426 NH2 ARG A 28 11.539 -4.213 -7.718 1.00 0.00 N ATOM 0 H ARG A 28 12.387 -1.328 -5.195 1.00 0.00 H new ATOM 0 HA ARG A 28 14.287 -2.678 -4.508 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.075 -0.608 -5.768 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.550 -2.077 -4.940 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.221 -1.803 -7.673 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.741 -2.583 -7.283 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.335 -4.451 -7.621 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.230 -4.269 -5.881 1.00 0.00 H new ATOM 0 HE ARG A 28 13.064 -2.967 -6.232 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.358 -4.136 -9.228 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.791 -4.675 -9.841 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.131 -3.988 -6.811 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.952 -4.590 -8.462 1.00 0.00 H new ATOM 440 N SER A 29 15.505 0.127 -3.425 1.00 0.00 N ATOM 441 CA SER A 29 15.543 1.144 -2.323 1.00 0.00 C ATOM 442 C SER A 29 16.278 2.370 -2.904 1.00 0.00 C ATOM 443 O SER A 29 17.297 2.207 -3.548 1.00 0.00 O ATOM 444 CB SER A 29 16.306 0.573 -1.095 1.00 0.00 C ATOM 445 OG SER A 29 15.993 -0.812 -1.045 1.00 0.00 O ATOM 0 H SER A 29 16.357 0.062 -3.981 1.00 0.00 H new ATOM 0 HA SER A 29 14.543 1.410 -1.982 1.00 0.00 H new ATOM 0 HB2 SER A 29 17.380 0.726 -1.198 1.00 0.00 H new ATOM 0 HB3 SER A 29 15.999 1.075 -0.178 1.00 0.00 H new ATOM 0 HG SER A 29 16.453 -1.224 -0.284 1.00 0.00 H new ATOM 451 N ALA A 30 15.756 3.552 -2.669 1.00 0.00 N ATOM 452 CA ALA A 30 16.401 4.811 -3.194 1.00 0.00 C ATOM 453 C ALA A 30 17.077 5.517 -2.022 1.00 0.00 C ATOM 454 O ALA A 30 18.278 5.705 -1.999 1.00 0.00 O ATOM 455 CB ALA A 30 15.321 5.724 -3.807 1.00 0.00 C ATOM 0 H ALA A 30 14.903 3.705 -2.131 1.00 0.00 H new ATOM 0 HA ALA A 30 17.135 4.575 -3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 30 15.786 6.634 -4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 30 14.825 5.202 -4.625 1.00 0.00 H new ATOM 0 HB3 ALA A 30 14.587 5.983 -3.044 1.00 0.00 H new ATOM 461 N ASP A 31 16.240 5.870 -1.093 1.00 0.00 N ATOM 462 CA ASP A 31 16.653 6.569 0.165 1.00 0.00 C ATOM 463 C ASP A 31 16.576 5.479 1.259 1.00 0.00 C ATOM 464 O ASP A 31 17.173 5.614 2.308 1.00 0.00 O ATOM 465 CB ASP A 31 15.663 7.737 0.443 1.00 0.00 C ATOM 466 CG ASP A 31 15.674 8.803 -0.686 1.00 0.00 C ATOM 467 OD1 ASP A 31 16.357 8.619 -1.684 1.00 0.00 O ATOM 468 OD2 ASP A 31 14.968 9.777 -0.476 1.00 0.00 O ATOM 0 H ASP A 31 15.237 5.696 -1.153 1.00 0.00 H new ATOM 0 HA ASP A 31 17.650 7.006 0.117 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.655 7.337 0.552 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.922 8.211 1.390 1.00 0.00 H new ATOM 473 N GLU A 32 15.807 4.470 0.889 1.00 0.00 N ATOM 474 CA GLU A 32 15.415 3.194 1.544 1.00 0.00 C ATOM 475 C GLU A 32 13.894 2.925 1.594 1.00 0.00 C ATOM 476 O GLU A 32 13.456 1.904 1.101 1.00 0.00 O ATOM 477 CB GLU A 32 16.077 3.113 2.955 1.00 0.00 C ATOM 478 CG GLU A 32 17.577 2.715 2.840 1.00 0.00 C ATOM 479 CD GLU A 32 17.727 1.352 2.125 1.00 0.00 C ATOM 480 OE1 GLU A 32 17.136 0.396 2.605 1.00 0.00 O ATOM 481 OE2 GLU A 32 18.432 1.347 1.127 1.00 0.00 O ATOM 0 H GLU A 32 15.362 4.520 -0.027 1.00 0.00 H new ATOM 0 HA GLU A 32 15.792 2.389 0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.989 4.076 3.459 1.00 0.00 H new ATOM 0 HB3 GLU A 32 15.548 2.383 3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 32 18.121 3.482 2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 32 18.021 2.661 3.834 1.00 0.00 H new ATOM 488 N PRO A 33 13.139 3.809 2.175 1.00 0.00 N ATOM 489 CA PRO A 33 11.702 4.067 1.901 1.00 0.00 C ATOM 490 C PRO A 33 11.472 5.233 0.908 1.00 0.00 C ATOM 491 O PRO A 33 12.312 6.108 0.814 1.00 0.00 O ATOM 492 CB PRO A 33 11.192 4.326 3.288 1.00 0.00 C ATOM 493 CG PRO A 33 12.347 5.258 3.832 1.00 0.00 C ATOM 494 CD PRO A 33 13.658 4.633 3.245 1.00 0.00 C ATOM 0 HA PRO A 33 11.183 3.253 1.395 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.221 4.821 3.290 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.085 3.411 3.871 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.215 6.288 3.502 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.367 5.272 4.922 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.345 5.395 2.878 1.00 0.00 H new ATOM 0 HD3 PRO A 33 14.199 4.046 3.987 1.00 0.00 H new ATOM 502 N MET A 34 10.357 5.221 0.204 1.00 0.00 N ATOM 503 CA MET A 34 10.096 6.338 -0.771 1.00 0.00 C ATOM 504 C MET A 34 8.631 6.610 -1.159 1.00 0.00 C ATOM 505 O MET A 34 8.014 7.547 -0.687 1.00 0.00 O ATOM 506 CB MET A 34 10.895 6.049 -2.047 1.00 0.00 C ATOM 507 CG MET A 34 10.748 7.186 -3.076 1.00 0.00 C ATOM 508 SD MET A 34 11.465 8.801 -2.674 1.00 0.00 S ATOM 509 CE MET A 34 9.958 9.804 -2.754 1.00 0.00 C ATOM 0 H MET A 34 9.633 4.505 0.259 1.00 0.00 H new ATOM 0 HA MET A 34 10.404 7.243 -0.247 1.00 0.00 H new ATOM 0 HB2 MET A 34 11.948 5.918 -1.796 1.00 0.00 H new ATOM 0 HB3 MET A 34 10.553 5.112 -2.487 1.00 0.00 H new ATOM 0 HG2 MET A 34 11.193 6.848 -4.012 1.00 0.00 H new ATOM 0 HG3 MET A 34 9.684 7.331 -3.263 1.00 0.00 H new ATOM 0 HE1 MET A 34 10.200 10.843 -2.532 1.00 0.00 H new ATOM 0 HE2 MET A 34 9.529 9.737 -3.754 1.00 0.00 H new ATOM 0 HE3 MET A 34 9.237 9.436 -2.024 1.00 0.00 H new ATOM 519 N THR A 35 8.140 5.755 -2.019 1.00 0.00 N ATOM 520 CA THR A 35 6.735 5.865 -2.528 1.00 0.00 C ATOM 521 C THR A 35 5.760 5.038 -1.715 1.00 0.00 C ATOM 522 O THR A 35 6.107 4.055 -1.090 1.00 0.00 O ATOM 523 CB THR A 35 6.707 5.396 -3.999 1.00 0.00 C ATOM 524 OG1 THR A 35 7.555 6.301 -4.692 1.00 0.00 O ATOM 525 CG2 THR A 35 5.324 5.550 -4.689 1.00 0.00 C ATOM 0 H THR A 35 8.664 4.967 -2.399 1.00 0.00 H new ATOM 0 HA THR A 35 6.424 6.906 -2.442 1.00 0.00 H new ATOM 0 HB THR A 35 6.986 4.343 -4.020 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.586 6.059 -5.641 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.390 5.198 -5.719 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.581 4.961 -4.151 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.029 6.599 -4.682 1.00 0.00 H new ATOM 533 N THR A 36 4.548 5.508 -1.800 1.00 0.00 N ATOM 534 CA THR A 36 3.408 4.888 -1.095 1.00 0.00 C ATOM 535 C THR A 36 2.704 3.972 -2.091 1.00 0.00 C ATOM 536 O THR A 36 1.926 4.403 -2.922 1.00 0.00 O ATOM 537 CB THR A 36 2.474 6.006 -0.612 1.00 0.00 C ATOM 538 OG1 THR A 36 3.278 6.856 0.196 1.00 0.00 O ATOM 539 CG2 THR A 36 1.417 5.470 0.341 1.00 0.00 C ATOM 0 H THR A 36 4.299 6.328 -2.352 1.00 0.00 H new ATOM 0 HA THR A 36 3.725 4.307 -0.229 1.00 0.00 H new ATOM 0 HB THR A 36 2.005 6.479 -1.474 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.209 7.778 -0.130 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.772 6.286 0.665 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.818 4.714 -0.167 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.902 5.025 1.210 1.00 0.00 H new ATOM 547 N PHE A 37 3.050 2.722 -1.942 1.00 0.00 N ATOM 548 CA PHE A 37 2.525 1.622 -2.760 1.00 0.00 C ATOM 549 C PHE A 37 1.534 0.998 -1.781 1.00 0.00 C ATOM 550 O PHE A 37 1.932 0.608 -0.706 1.00 0.00 O ATOM 551 CB PHE A 37 3.633 0.629 -3.063 1.00 0.00 C ATOM 552 CG PHE A 37 4.804 1.157 -3.922 1.00 0.00 C ATOM 553 CD1 PHE A 37 4.617 2.014 -4.991 1.00 0.00 C ATOM 554 CD2 PHE A 37 6.088 0.727 -3.629 1.00 0.00 C ATOM 555 CE1 PHE A 37 5.695 2.424 -5.751 1.00 0.00 C ATOM 556 CE2 PHE A 37 7.164 1.136 -4.386 1.00 0.00 C ATOM 557 CZ PHE A 37 6.970 1.985 -5.452 1.00 0.00 C ATOM 0 H PHE A 37 3.720 2.416 -1.236 1.00 0.00 H new ATOM 0 HA PHE A 37 2.104 1.923 -3.719 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.037 0.267 -2.118 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.194 -0.230 -3.572 1.00 0.00 H new ATOM 0 HD1 PHE A 37 3.624 2.364 -5.233 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.248 0.061 -2.794 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.540 3.093 -6.585 1.00 0.00 H new ATOM 0 HE2 PHE A 37 8.158 0.791 -4.143 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.810 2.306 -6.051 1.00 0.00 H new ATOM 567 N VAL A 38 0.289 0.911 -2.151 1.00 0.00 N ATOM 568 CA VAL A 38 -0.720 0.316 -1.230 1.00 0.00 C ATOM 569 C VAL A 38 -1.293 -0.912 -1.900 1.00 0.00 C ATOM 570 O VAL A 38 -1.709 -0.851 -3.042 1.00 0.00 O ATOM 571 CB VAL A 38 -1.855 1.308 -0.960 1.00 0.00 C ATOM 572 CG1 VAL A 38 -2.730 0.737 0.186 1.00 0.00 C ATOM 573 CG2 VAL A 38 -1.293 2.712 -0.667 1.00 0.00 C ATOM 0 H VAL A 38 -0.075 1.225 -3.050 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.245 0.064 -0.282 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.488 1.430 -1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.547 1.426 0.398 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.138 -0.228 -0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.121 0.611 1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.116 3.401 -0.478 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.647 2.670 0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.718 3.060 -1.525 1.00 0.00 H new ATOM 583 N VAL A 39 -1.287 -1.976 -1.144 1.00 0.00 N ATOM 584 CA VAL A 39 -1.814 -3.264 -1.649 1.00 0.00 C ATOM 585 C VAL A 39 -2.864 -3.776 -0.679 1.00 0.00 C ATOM 586 O VAL A 39 -2.694 -3.758 0.523 1.00 0.00 O ATOM 587 CB VAL A 39 -0.664 -4.292 -1.766 1.00 0.00 C ATOM 588 CG1 VAL A 39 -1.230 -5.652 -2.261 1.00 0.00 C ATOM 589 CG2 VAL A 39 0.391 -3.792 -2.767 1.00 0.00 C ATOM 0 H VAL A 39 -0.934 -2.002 -0.187 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.258 -3.121 -2.634 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.202 -4.417 -0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.419 -6.375 -2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.972 -6.018 -1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.697 -5.518 -3.237 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.196 -4.523 -2.842 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.070 -3.658 -3.745 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.796 -2.840 -2.424 1.00 0.00 H new ATOM 599 N CYS A 40 -3.933 -4.218 -1.271 1.00 0.00 N ATOM 600 CA CYS A 40 -5.065 -4.771 -0.487 1.00 0.00 C ATOM 601 C CYS A 40 -4.744 -6.241 -0.269 1.00 0.00 C ATOM 602 O CYS A 40 -4.653 -7.022 -1.195 1.00 0.00 O ATOM 603 CB CYS A 40 -6.371 -4.653 -1.265 1.00 0.00 C ATOM 604 SG CYS A 40 -7.748 -5.627 -0.613 1.00 0.00 S ATOM 0 H CYS A 40 -4.072 -4.219 -2.281 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.188 -4.230 0.451 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.668 -3.604 -1.288 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -6.189 -4.956 -2.296 1.00 0.00 H new ATOM 610 N ASN A 41 -4.582 -6.549 0.988 1.00 0.00 N ATOM 611 CA ASN A 41 -4.264 -7.923 1.442 1.00 0.00 C ATOM 612 C ASN A 41 -5.534 -8.775 1.393 1.00 0.00 C ATOM 613 O ASN A 41 -5.522 -9.923 1.793 1.00 0.00 O ATOM 614 CB ASN A 41 -3.810 -7.876 2.864 1.00 0.00 C ATOM 615 CG ASN A 41 -2.774 -6.802 3.148 1.00 0.00 C ATOM 616 OD1 ASN A 41 -1.715 -6.727 2.558 1.00 0.00 O ATOM 617 ND2 ASN A 41 -3.096 -5.954 4.082 1.00 0.00 N ATOM 0 H ASN A 41 -4.662 -5.872 1.746 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.490 -8.343 0.800 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.675 -7.710 3.505 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.395 -8.847 3.134 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.452 -5.204 4.334 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.992 -6.040 4.562 1.00 0.00 H new ATOM 624 N GLU A 42 -6.590 -8.184 0.898 1.00 0.00 N ATOM 625 CA GLU A 42 -7.880 -8.888 0.811 1.00 0.00 C ATOM 626 C GLU A 42 -8.196 -9.627 -0.475 1.00 0.00 C ATOM 627 O GLU A 42 -8.467 -10.813 -0.438 1.00 0.00 O ATOM 628 CB GLU A 42 -8.952 -7.832 1.126 1.00 0.00 C ATOM 629 CG GLU A 42 -8.426 -6.858 2.233 1.00 0.00 C ATOM 630 CD GLU A 42 -9.523 -5.892 2.683 1.00 0.00 C ATOM 631 OE1 GLU A 42 -10.497 -6.371 3.245 1.00 0.00 O ATOM 632 OE2 GLU A 42 -9.317 -4.713 2.440 1.00 0.00 O ATOM 0 H GLU A 42 -6.602 -7.226 0.547 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.844 -9.713 1.522 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.201 -7.272 0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.868 -8.319 1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.070 -7.433 3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.575 -6.294 1.851 1.00 0.00 H new ATOM 639 N CYS A 43 -8.154 -8.922 -1.562 1.00 0.00 N ATOM 640 CA CYS A 43 -8.447 -9.542 -2.873 1.00 0.00 C ATOM 641 C CYS A 43 -7.209 -9.297 -3.707 1.00 0.00 C ATOM 642 O CYS A 43 -7.009 -9.961 -4.707 1.00 0.00 O ATOM 643 CB CYS A 43 -9.675 -8.859 -3.455 1.00 0.00 C ATOM 644 SG CYS A 43 -9.475 -7.131 -3.937 1.00 0.00 S ATOM 0 H CYS A 43 -7.926 -7.928 -1.598 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.664 -10.609 -2.823 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.998 -9.423 -4.330 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -10.480 -8.919 -2.722 1.00 0.00 H new ATOM 650 N GLY A 44 -6.410 -8.349 -3.265 1.00 0.00 N ATOM 651 CA GLY A 44 -5.172 -8.069 -4.054 1.00 0.00 C ATOM 652 C GLY A 44 -5.334 -6.953 -5.088 1.00 0.00 C ATOM 653 O GLY A 44 -5.277 -7.185 -6.280 1.00 0.00 O ATOM 0 H GLY A 44 -6.554 -7.782 -2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.369 -7.801 -3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.864 -8.982 -4.564 1.00 0.00 H new ATOM 657 N ASN A 45 -5.531 -5.773 -4.578 1.00 0.00 N ATOM 658 CA ASN A 45 -5.712 -4.538 -5.399 1.00 0.00 C ATOM 659 C ASN A 45 -4.425 -3.780 -5.089 1.00 0.00 C ATOM 660 O ASN A 45 -4.180 -3.512 -3.937 1.00 0.00 O ATOM 661 CB ASN A 45 -6.973 -3.837 -4.869 1.00 0.00 C ATOM 662 CG ASN A 45 -7.466 -2.704 -5.733 1.00 0.00 C ATOM 663 OD1 ASN A 45 -6.799 -2.163 -6.592 1.00 0.00 O ATOM 664 ND2 ASN A 45 -8.686 -2.339 -5.476 1.00 0.00 N ATOM 0 H ASN A 45 -5.577 -5.603 -3.573 1.00 0.00 H new ATOM 0 HA ASN A 45 -5.853 -4.662 -6.473 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.769 -4.575 -4.769 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.768 -3.453 -3.870 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.112 -1.576 -6.003 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -9.218 -2.815 -4.748 1.00 0.00 H new ATOM 671 N ARG A 46 -3.634 -3.454 -6.073 1.00 0.00 N ATOM 672 CA ARG A 46 -2.364 -2.718 -5.795 1.00 0.00 C ATOM 673 C ARG A 46 -2.296 -1.438 -6.628 1.00 0.00 C ATOM 674 O ARG A 46 -2.325 -1.475 -7.845 1.00 0.00 O ATOM 675 CB ARG A 46 -1.205 -3.708 -6.094 1.00 0.00 C ATOM 676 CG ARG A 46 -1.244 -4.273 -7.536 1.00 0.00 C ATOM 677 CD ARG A 46 -0.446 -5.596 -7.607 1.00 0.00 C ATOM 678 NE ARG A 46 -1.167 -6.637 -6.803 1.00 0.00 N ATOM 679 CZ ARG A 46 -0.562 -7.300 -5.852 1.00 0.00 C ATOM 680 NH1 ARG A 46 0.027 -6.655 -4.880 1.00 0.00 N ATOM 681 NH2 ARG A 46 -0.576 -8.603 -5.907 1.00 0.00 N ATOM 0 H ARG A 46 -3.809 -3.664 -7.056 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.297 -2.389 -4.758 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.253 -3.202 -5.934 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.250 -4.535 -5.385 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.276 -4.445 -7.840 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.823 -3.547 -8.232 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.345 -5.921 -8.642 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.562 -5.450 -7.219 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.148 -6.832 -7.002 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.015 -5.635 -4.864 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.499 -7.171 -4.138 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.050 -9.076 -6.677 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.113 -9.149 -5.180 1.00 0.00 H new ATOM 695 N TRP A 47 -2.210 -0.340 -5.918 1.00 0.00 N ATOM 696 CA TRP A 47 -2.147 0.998 -6.561 1.00 0.00 C ATOM 697 C TRP A 47 -1.164 1.894 -5.798 1.00 0.00 C ATOM 698 O TRP A 47 -0.647 1.511 -4.770 1.00 0.00 O ATOM 699 CB TRP A 47 -3.592 1.525 -6.559 1.00 0.00 C ATOM 700 CG TRP A 47 -4.058 1.844 -5.134 1.00 0.00 C ATOM 701 CD1 TRP A 47 -3.970 3.092 -4.611 1.00 0.00 C ATOM 702 CD2 TRP A 47 -4.605 1.003 -4.219 1.00 0.00 C ATOM 703 NE1 TRP A 47 -4.476 2.944 -3.405 1.00 0.00 N ATOM 704 CE2 TRP A 47 -4.885 1.728 -3.075 1.00 0.00 C ATOM 705 CE3 TRP A 47 -4.907 -0.354 -4.231 1.00 0.00 C ATOM 706 CZ2 TRP A 47 -5.453 1.119 -1.980 1.00 0.00 C ATOM 707 CZ3 TRP A 47 -5.475 -0.947 -3.122 1.00 0.00 C ATOM 708 CH2 TRP A 47 -5.748 -0.215 -1.999 1.00 0.00 C ATOM 0 H TRP A 47 -2.181 -0.321 -4.899 1.00 0.00 H new ATOM 0 HA TRP A 47 -1.773 0.969 -7.584 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -3.657 2.421 -7.176 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -4.254 0.783 -7.005 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -3.580 3.988 -5.071 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -4.550 3.727 -2.756 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -4.697 -0.945 -5.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.668 1.701 -1.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.707 -2.002 -3.141 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.193 -0.687 -1.135 1.00 0.00 H new ATOM 719 N LYS A 48 -0.934 3.065 -6.329 1.00 0.00 N ATOM 720 CA LYS A 48 0.007 4.044 -5.681 1.00 0.00 C ATOM 721 C LYS A 48 -0.729 5.372 -5.445 1.00 0.00 C ATOM 722 O LYS A 48 -1.847 5.542 -5.891 1.00 0.00 O ATOM 723 CB LYS A 48 1.227 4.329 -6.596 1.00 0.00 C ATOM 724 CG LYS A 48 1.800 3.055 -7.243 1.00 0.00 C ATOM 725 CD LYS A 48 3.006 3.460 -8.114 1.00 0.00 C ATOM 726 CE LYS A 48 3.685 2.208 -8.681 1.00 0.00 C ATOM 727 NZ LYS A 48 4.914 2.593 -9.435 1.00 0.00 N ATOM 0 H LYS A 48 -1.360 3.395 -7.195 1.00 0.00 H new ATOM 0 HA LYS A 48 0.352 3.613 -4.741 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.932 5.027 -7.379 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.007 4.816 -6.012 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.106 2.344 -6.476 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.041 2.562 -7.850 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.677 4.106 -8.928 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.718 4.033 -7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.944 1.526 -7.871 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.997 1.676 -9.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.369 1.739 -9.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.657 3.227 -10.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.574 3.081 -8.797 1.00 0.00 H new ATOM 741 N PHE A 49 -0.077 6.274 -4.749 1.00 0.00 N ATOM 742 CA PHE A 49 -0.679 7.622 -4.456 1.00 0.00 C ATOM 743 C PHE A 49 0.044 8.675 -5.325 1.00 0.00 C ATOM 744 O PHE A 49 0.559 8.334 -6.372 1.00 0.00 O ATOM 745 CB PHE A 49 -0.502 7.970 -2.940 1.00 0.00 C ATOM 746 CG PHE A 49 0.931 8.405 -2.536 1.00 0.00 C ATOM 747 CD1 PHE A 49 2.069 8.139 -3.296 1.00 0.00 C ATOM 748 CD2 PHE A 49 1.078 9.105 -1.351 1.00 0.00 C ATOM 749 CE1 PHE A 49 3.311 8.564 -2.874 1.00 0.00 C ATOM 750 CE2 PHE A 49 2.319 9.530 -0.932 1.00 0.00 C ATOM 751 CZ PHE A 49 3.435 9.260 -1.693 1.00 0.00 C ATOM 0 H PHE A 49 0.858 6.135 -4.366 1.00 0.00 H new ATOM 0 HA PHE A 49 -1.745 7.613 -4.685 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.196 8.770 -2.682 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -0.783 7.100 -2.347 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.977 7.595 -4.224 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.209 9.321 -0.748 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.186 8.351 -3.470 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.417 10.076 -0.005 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.407 9.594 -1.363 1.00 0.00 H new ATOM 761 N CYS A 50 0.061 9.910 -4.873 1.00 0.00 N ATOM 762 CA CYS A 50 0.739 11.002 -5.637 1.00 0.00 C ATOM 763 C CYS A 50 1.976 11.451 -4.838 1.00 0.00 C ATOM 764 O CYS A 50 2.156 12.588 -4.450 1.00 0.00 O ATOM 765 CB CYS A 50 -0.260 12.163 -5.814 1.00 0.00 C ATOM 766 SG CYS A 50 -0.870 12.983 -4.317 1.00 0.00 S ATOM 0 H CYS A 50 -0.371 10.207 -3.998 1.00 0.00 H new ATOM 0 HA CYS A 50 1.060 10.664 -6.622 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.212 12.919 -6.442 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.121 11.784 -6.364 1.00 0.00 H new ATOM 0 HG CYS A 50 0.134 13.283 -3.547 1.00 0.00 H new TER 772 CYS A 50 HETATM 773 ZN ZN A 51 -9.734 -5.864 -2.004 1.00 0.00 ZN