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 22 TYR OH : rot 121:sc= 0.125 USER MOD Set 1.2: A 24 GLN : amide:sc= -0.415 K(o=0.15,f=-0.83) USER MOD Set 1.3: A 36 THR OG1 : rot 130:sc= 0.444 USER MOD Set 2.1: A 21 THR OG1 : rot 152:sc= 1.64 USER MOD Set 2.2: A 41 ASN : amide:sc= -1.64 X(o=-0.0023,f=0.38!) USER MOD Set 3.1: A 2 THR OG1 : rot -69:sc= 0.667 USER MOD Set 3.2: A 6 GLN : amide:sc= 0.133 K(o=0.71,f=-0.6) USER MOD Set 3.3: A 19 ASN : amide:sc= -0.0913 X(o=0.71,f=0.82) USER MOD Single : A 1 LYS N :NH3+ 136:sc= 0.013 (180deg=-0.0717) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc=-0.00756 USER MOD Single : A 7 THR OG1 : rot 143:sc= 0.0489 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0907) USER MOD Single : A 16 LYS NZ :NH3+ 135:sc= -0.0931 (180deg=-0.541) USER MOD Single : A 17 LYS NZ :NH3+ 156:sc= -0.0363 (180deg=-0.946) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 163:sc= -0.878 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= -2.32! C(o=-3.3!,f=-2.3!) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.491 USER MOD Single : A 29 SER OG : rot 69:sc= 1.06 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0169 USER MOD Single : A 45 ASN :FLIP amide:sc= -1.09 F(o=-3.5,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 6.276 2.272 -15.469 1.00 0.00 N ATOM 2 CA LYS A 1 7.014 3.208 -14.573 1.00 0.00 C ATOM 3 C LYS A 1 7.376 2.532 -13.242 1.00 0.00 C ATOM 4 O LYS A 1 6.603 1.757 -12.713 1.00 0.00 O ATOM 5 CB LYS A 1 6.155 4.467 -14.267 1.00 0.00 C ATOM 6 CG LYS A 1 4.780 4.091 -13.630 1.00 0.00 C ATOM 7 CD LYS A 1 4.059 5.361 -13.126 1.00 0.00 C ATOM 8 CE LYS A 1 3.540 6.197 -14.309 1.00 0.00 C ATOM 9 NZ LYS A 1 2.845 7.409 -13.792 1.00 0.00 N ATOM 0 H1 LYS A 1 5.471 2.768 -15.902 1.00 0.00 H new ATOM 0 H2 LYS A 1 6.914 1.931 -16.216 1.00 0.00 H new ATOM 0 H3 LYS A 1 5.927 1.464 -14.915 1.00 0.00 H new ATOM 0 HA LYS A 1 7.927 3.498 -15.093 1.00 0.00 H new ATOM 0 HB2 LYS A 1 6.701 5.124 -13.590 1.00 0.00 H new ATOM 0 HB3 LYS A 1 5.988 5.026 -15.188 1.00 0.00 H new ATOM 0 HG2 LYS A 1 4.159 3.579 -14.365 1.00 0.00 H new ATOM 0 HG3 LYS A 1 4.932 3.398 -12.803 1.00 0.00 H new ATOM 0 HD2 LYS A 1 3.227 5.081 -12.480 1.00 0.00 H new ATOM 0 HD3 LYS A 1 4.743 5.959 -12.524 1.00 0.00 H new ATOM 0 HE2 LYS A 1 4.369 6.487 -14.955 1.00 0.00 H new ATOM 0 HE3 LYS A 1 2.856 5.603 -14.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 2.494 7.975 -14.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 2.045 7.121 -13.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 3.511 7.978 -13.231 1.00 0.00 H new ATOM 25 N THR A 2 8.549 2.882 -12.763 1.00 0.00 N ATOM 26 CA THR A 2 9.144 2.372 -11.477 1.00 0.00 C ATOM 27 C THR A 2 8.256 1.381 -10.679 1.00 0.00 C ATOM 28 O THR A 2 7.767 1.717 -9.621 1.00 0.00 O ATOM 29 CB THR A 2 9.513 3.649 -10.632 1.00 0.00 C ATOM 30 OG1 THR A 2 9.991 3.161 -9.382 1.00 0.00 O ATOM 31 CG2 THR A 2 8.285 4.530 -10.276 1.00 0.00 C ATOM 0 H THR A 2 9.157 3.544 -13.244 1.00 0.00 H new ATOM 0 HA THR A 2 10.017 1.764 -11.712 1.00 0.00 H new ATOM 0 HB THR A 2 10.216 4.246 -11.213 1.00 0.00 H new ATOM 0 HG1 THR A 2 9.250 2.759 -8.883 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.612 5.392 -9.694 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.805 4.872 -11.193 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.575 3.945 -9.691 1.00 0.00 H new ATOM 39 N GLY A 3 8.093 0.192 -11.225 1.00 0.00 N ATOM 40 CA GLY A 3 7.259 -0.915 -10.622 1.00 0.00 C ATOM 41 C GLY A 3 6.203 -0.420 -9.620 1.00 0.00 C ATOM 42 O GLY A 3 6.068 -0.921 -8.519 1.00 0.00 O ATOM 0 H GLY A 3 8.527 -0.070 -12.110 1.00 0.00 H new ATOM 0 HA2 GLY A 3 6.759 -1.459 -11.424 1.00 0.00 H new ATOM 0 HA3 GLY A 3 7.919 -1.623 -10.120 1.00 0.00 H new ATOM 46 N GLY A 4 5.503 0.583 -10.089 1.00 0.00 N ATOM 47 CA GLY A 4 4.416 1.257 -9.320 1.00 0.00 C ATOM 48 C GLY A 4 5.076 2.560 -8.855 1.00 0.00 C ATOM 49 O GLY A 4 5.100 3.551 -9.561 1.00 0.00 O ATOM 0 H GLY A 4 5.651 0.978 -11.018 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.541 1.448 -9.941 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.083 0.651 -8.478 1.00 0.00 H new ATOM 53 N THR A 5 5.589 2.484 -7.656 1.00 0.00 N ATOM 54 CA THR A 5 6.299 3.619 -6.987 1.00 0.00 C ATOM 55 C THR A 5 7.481 2.959 -6.256 1.00 0.00 C ATOM 56 O THR A 5 8.608 3.405 -6.323 1.00 0.00 O ATOM 57 CB THR A 5 5.358 4.327 -5.979 1.00 0.00 C ATOM 58 OG1 THR A 5 4.157 4.544 -6.712 1.00 0.00 O ATOM 59 CG2 THR A 5 5.882 5.748 -5.672 1.00 0.00 C ATOM 0 H THR A 5 5.543 1.640 -7.085 1.00 0.00 H new ATOM 0 HA THR A 5 6.626 4.381 -7.695 1.00 0.00 H new ATOM 0 HB THR A 5 5.261 3.744 -5.063 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.500 4.992 -6.139 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.214 6.237 -4.963 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.882 5.682 -5.243 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.921 6.329 -6.594 1.00 0.00 H new ATOM 67 N GLN A 6 7.113 1.896 -5.579 1.00 0.00 N ATOM 68 CA GLN A 6 7.995 1.007 -4.753 1.00 0.00 C ATOM 69 C GLN A 6 8.384 1.683 -3.430 1.00 0.00 C ATOM 70 O GLN A 6 9.418 1.403 -2.856 1.00 0.00 O ATOM 71 CB GLN A 6 9.273 0.635 -5.568 1.00 0.00 C ATOM 72 CG GLN A 6 8.839 0.085 -6.940 1.00 0.00 C ATOM 73 CD GLN A 6 10.034 -0.553 -7.649 1.00 0.00 C ATOM 74 OE1 GLN A 6 10.417 -1.670 -7.354 1.00 0.00 O ATOM 75 NE2 GLN A 6 10.653 0.117 -8.583 1.00 0.00 N ATOM 0 H GLN A 6 6.142 1.585 -5.569 1.00 0.00 H new ATOM 0 HA GLN A 6 7.442 0.099 -4.512 1.00 0.00 H new ATOM 0 HB2 GLN A 6 9.908 1.511 -5.696 1.00 0.00 H new ATOM 0 HB3 GLN A 6 9.861 -0.109 -5.031 1.00 0.00 H new ATOM 0 HG2 GLN A 6 8.046 -0.652 -6.811 1.00 0.00 H new ATOM 0 HG3 GLN A 6 8.430 0.890 -7.551 1.00 0.00 H new ATOM 0 HE21 GLN A 6 10.336 1.053 -8.834 1.00 0.00 H new ATOM 0 HE22 GLN A 6 11.453 -0.296 -9.062 1.00 0.00 H new ATOM 84 N THR A 7 7.497 2.559 -3.028 1.00 0.00 N ATOM 85 CA THR A 7 7.587 3.381 -1.777 1.00 0.00 C ATOM 86 C THR A 7 8.372 2.796 -0.583 1.00 0.00 C ATOM 87 O THR A 7 8.958 3.550 0.169 1.00 0.00 O ATOM 88 CB THR A 7 6.130 3.697 -1.348 1.00 0.00 C ATOM 89 OG1 THR A 7 6.207 4.568 -0.228 1.00 0.00 O ATOM 90 CG2 THR A 7 5.418 2.438 -0.807 1.00 0.00 C ATOM 0 H THR A 7 6.648 2.750 -3.561 1.00 0.00 H new ATOM 0 HA THR A 7 8.181 4.257 -2.038 1.00 0.00 H new ATOM 0 HB THR A 7 5.598 4.102 -2.209 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.485 5.229 -0.277 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.399 2.693 -0.515 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.392 1.673 -1.583 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.959 2.058 0.059 1.00 0.00 H new ATOM 98 N ASP A 8 8.355 1.489 -0.452 1.00 0.00 N ATOM 99 CA ASP A 8 9.063 0.770 0.665 1.00 0.00 C ATOM 100 C ASP A 8 8.784 1.465 2.014 1.00 0.00 C ATOM 101 O ASP A 8 9.649 1.977 2.696 1.00 0.00 O ATOM 102 CB ASP A 8 10.607 0.711 0.332 1.00 0.00 C ATOM 103 CG ASP A 8 11.265 2.082 0.059 1.00 0.00 C ATOM 104 OD1 ASP A 8 11.603 2.750 1.022 1.00 0.00 O ATOM 105 OD2 ASP A 8 11.391 2.396 -1.114 1.00 0.00 O ATOM 0 H ASP A 8 7.863 0.868 -1.095 1.00 0.00 H new ATOM 0 HA ASP A 8 8.690 -0.250 0.755 1.00 0.00 H new ATOM 0 HB2 ASP A 8 11.126 0.234 1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.752 0.074 -0.541 1.00 0.00 H new ATOM 110 N LEU A 9 7.513 1.432 2.330 1.00 0.00 N ATOM 111 CA LEU A 9 6.938 2.028 3.577 1.00 0.00 C ATOM 112 C LEU A 9 6.296 0.939 4.450 1.00 0.00 C ATOM 113 O LEU A 9 6.383 0.957 5.662 1.00 0.00 O ATOM 114 CB LEU A 9 5.852 3.084 3.185 1.00 0.00 C ATOM 115 CG LEU A 9 6.255 4.545 3.452 1.00 0.00 C ATOM 116 CD1 LEU A 9 7.599 4.892 2.779 1.00 0.00 C ATOM 117 CD2 LEU A 9 5.136 5.451 2.856 1.00 0.00 C ATOM 0 H LEU A 9 6.811 0.989 1.737 1.00 0.00 H new ATOM 0 HA LEU A 9 7.739 2.503 4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.621 2.972 2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.937 2.867 3.736 1.00 0.00 H new ATOM 0 HG LEU A 9 6.373 4.700 4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.853 5.931 2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.381 4.241 3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.514 4.749 1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.387 6.498 3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.051 5.268 1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.186 5.222 3.340 1.00 0.00 H new ATOM 129 N PHE A 10 5.670 0.026 3.757 1.00 0.00 N ATOM 130 CA PHE A 10 4.942 -1.141 4.356 1.00 0.00 C ATOM 131 C PHE A 10 5.524 -2.507 3.914 1.00 0.00 C ATOM 132 O PHE A 10 6.239 -2.561 2.930 1.00 0.00 O ATOM 133 CB PHE A 10 3.525 -0.900 3.916 1.00 0.00 C ATOM 134 CG PHE A 10 3.070 0.496 4.395 1.00 0.00 C ATOM 135 CD1 PHE A 10 3.017 0.815 5.744 1.00 0.00 C ATOM 136 CD2 PHE A 10 2.717 1.458 3.465 1.00 0.00 C ATOM 137 CE1 PHE A 10 2.618 2.072 6.148 1.00 0.00 C ATOM 138 CE2 PHE A 10 2.320 2.707 3.873 1.00 0.00 C ATOM 139 CZ PHE A 10 2.269 3.019 5.211 1.00 0.00 C ATOM 0 H PHE A 10 5.631 0.042 2.738 1.00 0.00 H new ATOM 0 HA PHE A 10 5.033 -1.204 5.440 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.454 -0.965 2.830 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.870 -1.669 4.325 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.290 0.075 6.482 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.754 1.225 2.411 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.579 2.314 7.200 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.046 3.449 3.138 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.956 4.004 5.526 1.00 0.00 H new ATOM 149 N THR A 11 5.206 -3.558 4.641 1.00 0.00 N ATOM 150 CA THR A 11 5.703 -4.930 4.306 1.00 0.00 C ATOM 151 C THR A 11 4.589 -5.771 3.680 1.00 0.00 C ATOM 152 O THR A 11 3.415 -5.509 3.845 1.00 0.00 O ATOM 153 CB THR A 11 6.213 -5.614 5.621 1.00 0.00 C ATOM 154 OG1 THR A 11 7.615 -5.381 5.638 1.00 0.00 O ATOM 155 CG2 THR A 11 6.024 -7.167 5.677 1.00 0.00 C ATOM 0 H THR A 11 4.611 -3.517 5.468 1.00 0.00 H new ATOM 0 HA THR A 11 6.515 -4.853 3.584 1.00 0.00 H new ATOM 0 HB THR A 11 5.644 -5.201 6.454 1.00 0.00 H new ATOM 0 HG1 THR A 11 8.004 -5.784 6.442 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.407 -7.546 6.624 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.964 -7.408 5.592 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.569 -7.630 4.854 1.00 0.00 H new ATOM 163 N CYS A 12 5.035 -6.781 2.984 1.00 0.00 N ATOM 164 CA CYS A 12 4.141 -7.737 2.292 1.00 0.00 C ATOM 165 C CYS A 12 3.864 -8.827 3.307 1.00 0.00 C ATOM 166 O CYS A 12 4.744 -9.284 4.010 1.00 0.00 O ATOM 167 CB CYS A 12 4.839 -8.345 1.108 1.00 0.00 C ATOM 168 SG CYS A 12 3.997 -9.791 0.421 1.00 0.00 S ATOM 0 H CYS A 12 6.027 -6.985 2.866 1.00 0.00 H new ATOM 0 HA CYS A 12 3.235 -7.248 1.934 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.936 -7.589 0.329 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.849 -8.631 1.402 1.00 0.00 H new ATOM 173 N GLY A 13 2.629 -9.216 3.324 1.00 0.00 N ATOM 174 CA GLY A 13 2.191 -10.281 4.272 1.00 0.00 C ATOM 175 C GLY A 13 2.355 -11.670 3.659 1.00 0.00 C ATOM 176 O GLY A 13 1.686 -12.602 4.058 1.00 0.00 O ATOM 0 H GLY A 13 1.895 -8.844 2.721 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.774 -10.215 5.191 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.148 -10.122 4.544 1.00 0.00 H new ATOM 180 N LYS A 14 3.249 -11.752 2.701 1.00 0.00 N ATOM 181 CA LYS A 14 3.528 -13.050 2.008 1.00 0.00 C ATOM 182 C LYS A 14 5.024 -13.326 1.737 1.00 0.00 C ATOM 183 O LYS A 14 5.542 -14.348 2.144 1.00 0.00 O ATOM 184 CB LYS A 14 2.782 -13.113 0.651 1.00 0.00 C ATOM 185 CG LYS A 14 1.248 -13.353 0.805 1.00 0.00 C ATOM 186 CD LYS A 14 0.994 -14.673 1.591 1.00 0.00 C ATOM 187 CE LYS A 14 -0.437 -15.193 1.379 1.00 0.00 C ATOM 188 NZ LYS A 14 -0.573 -15.773 0.012 1.00 0.00 N ATOM 0 H LYS A 14 3.804 -10.964 2.366 1.00 0.00 H new ATOM 0 HA LYS A 14 3.174 -13.813 2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.945 -12.181 0.110 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.209 -13.912 0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.791 -12.514 1.329 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.779 -13.409 -0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.708 -15.431 1.270 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.166 -14.503 2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.673 -15.949 2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.151 -14.380 1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.459 -16.314 -0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.586 -15.006 -0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.231 -16.404 -0.179 1.00 0.00 H new ATOM 202 N CYS A 15 5.674 -12.412 1.056 1.00 0.00 N ATOM 203 CA CYS A 15 7.118 -12.540 0.710 1.00 0.00 C ATOM 204 C CYS A 15 8.059 -12.175 1.863 1.00 0.00 C ATOM 205 O CYS A 15 9.212 -12.559 1.839 1.00 0.00 O ATOM 206 CB CYS A 15 7.388 -11.627 -0.458 1.00 0.00 C ATOM 207 SG CYS A 15 6.267 -11.686 -1.873 1.00 0.00 S ATOM 0 H CYS A 15 5.242 -11.553 0.716 1.00 0.00 H new ATOM 0 HA CYS A 15 7.315 -13.586 0.474 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.396 -10.603 -0.084 1.00 0.00 H new ATOM 0 HB3 CYS A 15 8.393 -11.842 -0.822 1.00 0.00 H new ATOM 212 N LYS A 16 7.518 -11.444 2.808 1.00 0.00 N ATOM 213 CA LYS A 16 8.237 -10.961 4.027 1.00 0.00 C ATOM 214 C LYS A 16 9.284 -9.907 3.603 1.00 0.00 C ATOM 215 O LYS A 16 10.350 -9.825 4.182 1.00 0.00 O ATOM 216 CB LYS A 16 8.907 -12.182 4.730 1.00 0.00 C ATOM 217 CG LYS A 16 7.859 -12.997 5.517 1.00 0.00 C ATOM 218 CD LYS A 16 8.475 -14.329 6.042 1.00 0.00 C ATOM 219 CE LYS A 16 9.855 -14.139 6.738 1.00 0.00 C ATOM 220 NZ LYS A 16 9.795 -13.057 7.762 1.00 0.00 N ATOM 0 H LYS A 16 6.543 -11.146 2.777 1.00 0.00 H new ATOM 0 HA LYS A 16 7.547 -10.495 4.731 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.387 -12.818 3.987 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.689 -11.836 5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.488 -12.407 6.355 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.004 -13.214 4.876 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.781 -14.789 6.746 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.589 -15.022 5.208 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.160 -15.073 7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.612 -13.896 5.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.271 -13.374 8.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.270 -12.207 7.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.801 -12.834 7.974 1.00 0.00 H new ATOM 234 N LYS A 17 8.947 -9.122 2.600 1.00 0.00 N ATOM 235 CA LYS A 17 9.877 -8.066 2.102 1.00 0.00 C ATOM 236 C LYS A 17 9.102 -6.747 2.127 1.00 0.00 C ATOM 237 O LYS A 17 7.929 -6.729 2.443 1.00 0.00 O ATOM 238 CB LYS A 17 10.319 -8.381 0.655 1.00 0.00 C ATOM 239 CG LYS A 17 10.582 -9.892 0.442 1.00 0.00 C ATOM 240 CD LYS A 17 11.768 -10.068 -0.531 1.00 0.00 C ATOM 241 CE LYS A 17 12.146 -11.548 -0.650 1.00 0.00 C ATOM 242 NZ LYS A 17 10.985 -12.340 -1.144 1.00 0.00 N ATOM 0 H LYS A 17 8.057 -9.174 2.105 1.00 0.00 H new ATOM 0 HA LYS A 17 10.771 -8.014 2.723 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.549 -8.046 -0.040 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.224 -7.820 0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.803 -10.373 1.395 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.691 -10.375 0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.503 -9.674 -1.512 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.625 -9.495 -0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.989 -11.661 -1.332 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.467 -11.927 0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.327 -13.210 -1.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.368 -12.587 -0.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.449 -11.776 -1.834 1.00 0.00 H new ATOM 256 N LYS A 18 9.791 -5.690 1.790 1.00 0.00 N ATOM 257 CA LYS A 18 9.163 -4.334 1.767 1.00 0.00 C ATOM 258 C LYS A 18 9.381 -3.592 0.440 1.00 0.00 C ATOM 259 O LYS A 18 9.812 -2.454 0.421 1.00 0.00 O ATOM 260 CB LYS A 18 9.724 -3.469 2.953 1.00 0.00 C ATOM 261 CG LYS A 18 11.272 -3.338 2.974 1.00 0.00 C ATOM 262 CD LYS A 18 11.922 -4.587 3.606 1.00 0.00 C ATOM 263 CE LYS A 18 13.431 -4.331 3.793 1.00 0.00 C ATOM 264 NZ LYS A 18 14.066 -5.474 4.507 1.00 0.00 N ATOM 0 H LYS A 18 10.776 -5.707 1.526 1.00 0.00 H new ATOM 0 HA LYS A 18 8.089 -4.482 1.877 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.288 -2.472 2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.396 -3.909 3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.643 -3.205 1.958 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.558 -2.450 3.537 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.456 -4.808 4.566 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.764 -5.456 2.968 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.906 -4.191 2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.583 -3.411 4.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.082 -5.288 4.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.623 -5.589 5.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.936 -6.345 3.953 1.00 0.00 H new ATOM 278 N ASN A 19 9.072 -4.263 -0.644 1.00 0.00 N ATOM 279 CA ASN A 19 9.231 -3.638 -1.996 1.00 0.00 C ATOM 280 C ASN A 19 7.810 -3.610 -2.527 1.00 0.00 C ATOM 281 O ASN A 19 7.427 -4.192 -3.523 1.00 0.00 O ATOM 282 CB ASN A 19 10.115 -4.488 -2.893 1.00 0.00 C ATOM 283 CG ASN A 19 10.241 -3.776 -4.255 1.00 0.00 C ATOM 284 OD1 ASN A 19 10.734 -2.667 -4.343 1.00 0.00 O ATOM 285 ND2 ASN A 19 9.816 -4.357 -5.344 1.00 0.00 N ATOM 0 H ASN A 19 8.716 -5.219 -0.651 1.00 0.00 H new ATOM 0 HA ASN A 19 9.703 -2.656 -1.957 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.098 -4.623 -2.441 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.684 -5.481 -3.021 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.901 -3.881 -6.242 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.399 -5.287 -5.297 1.00 0.00 H new ATOM 292 N CYS A 20 7.075 -2.873 -1.756 1.00 0.00 N ATOM 293 CA CYS A 20 5.639 -2.648 -2.004 1.00 0.00 C ATOM 294 C CYS A 20 5.507 -1.205 -2.458 1.00 0.00 C ATOM 295 O CYS A 20 6.356 -0.368 -2.215 1.00 0.00 O ATOM 296 CB CYS A 20 4.875 -2.903 -0.701 1.00 0.00 C ATOM 297 SG CYS A 20 5.049 -4.578 -0.028 1.00 0.00 S ATOM 0 H CYS A 20 7.431 -2.397 -0.927 1.00 0.00 H new ATOM 0 HA CYS A 20 5.229 -3.314 -2.763 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.216 -2.189 0.049 1.00 0.00 H new ATOM 0 HB3 CYS A 20 3.817 -2.704 -0.873 1.00 0.00 H new ATOM 0 HG CYS A 20 4.682 -4.585 1.219 1.00 0.00 H new ATOM 303 N THR A 21 4.403 -1.010 -3.107 1.00 0.00 N ATOM 304 CA THR A 21 4.002 0.303 -3.673 1.00 0.00 C ATOM 305 C THR A 21 2.706 0.659 -2.958 1.00 0.00 C ATOM 306 O THR A 21 1.907 -0.218 -2.698 1.00 0.00 O ATOM 307 CB THR A 21 3.760 0.142 -5.186 1.00 0.00 C ATOM 308 OG1 THR A 21 5.038 0.099 -5.793 1.00 0.00 O ATOM 309 CG2 THR A 21 3.090 1.360 -5.800 1.00 0.00 C ATOM 0 H THR A 21 3.723 -1.750 -3.278 1.00 0.00 H new ATOM 0 HA THR A 21 4.758 1.076 -3.539 1.00 0.00 H new ATOM 0 HB THR A 21 3.137 -0.740 -5.336 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.990 -0.425 -6.620 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.942 1.195 -6.867 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.125 1.524 -5.321 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.722 2.236 -5.652 1.00 0.00 H new ATOM 317 N TYR A 22 2.526 1.918 -2.660 1.00 0.00 N ATOM 318 CA TYR A 22 1.275 2.322 -1.968 1.00 0.00 C ATOM 319 C TYR A 22 0.655 3.469 -2.746 1.00 0.00 C ATOM 320 O TYR A 22 1.314 4.182 -3.480 1.00 0.00 O ATOM 321 CB TYR A 22 1.613 2.736 -0.498 1.00 0.00 C ATOM 322 CG TYR A 22 2.180 4.168 -0.332 1.00 0.00 C ATOM 323 CD1 TYR A 22 3.008 4.774 -1.255 1.00 0.00 C ATOM 324 CD2 TYR A 22 1.848 4.885 0.795 1.00 0.00 C ATOM 325 CE1 TYR A 22 3.484 6.047 -1.065 1.00 0.00 C ATOM 326 CE2 TYR A 22 2.322 6.157 0.992 1.00 0.00 C ATOM 327 CZ TYR A 22 3.146 6.757 0.063 1.00 0.00 C ATOM 328 OH TYR A 22 3.620 8.039 0.249 1.00 0.00 O ATOM 0 H TYR A 22 3.182 2.672 -2.863 1.00 0.00 H new ATOM 0 HA TYR A 22 0.561 1.500 -1.926 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.709 2.648 0.105 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.336 2.027 -0.094 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.288 4.234 -2.147 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.203 4.438 1.537 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.129 6.494 -1.807 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.046 6.696 1.886 1.00 0.00 H new ATOM 0 HH TYR A 22 2.865 8.657 0.338 1.00 0.00 H new ATOM 338 N THR A 23 -0.620 3.585 -2.547 1.00 0.00 N ATOM 339 CA THR A 23 -1.415 4.644 -3.208 1.00 0.00 C ATOM 340 C THR A 23 -2.252 5.234 -2.082 1.00 0.00 C ATOM 341 O THR A 23 -2.859 4.520 -1.303 1.00 0.00 O ATOM 342 CB THR A 23 -2.247 3.973 -4.343 1.00 0.00 C ATOM 343 OG1 THR A 23 -3.161 4.964 -4.797 1.00 0.00 O ATOM 344 CG2 THR A 23 -3.086 2.778 -3.866 1.00 0.00 C ATOM 0 H THR A 23 -1.160 2.972 -1.936 1.00 0.00 H new ATOM 0 HA THR A 23 -0.843 5.438 -3.688 1.00 0.00 H new ATOM 0 HB THR A 23 -1.556 3.605 -5.102 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.713 4.594 -5.518 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.638 2.362 -4.709 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.428 2.015 -3.450 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.788 3.109 -3.100 1.00 0.00 H new ATOM 352 N GLN A 24 -2.240 6.536 -2.047 1.00 0.00 N ATOM 353 CA GLN A 24 -2.994 7.291 -1.013 1.00 0.00 C ATOM 354 C GLN A 24 -4.091 7.972 -1.824 1.00 0.00 C ATOM 355 O GLN A 24 -3.835 8.902 -2.563 1.00 0.00 O ATOM 356 CB GLN A 24 -2.035 8.305 -0.340 1.00 0.00 C ATOM 357 CG GLN A 24 -0.621 7.663 -0.129 1.00 0.00 C ATOM 358 CD GLN A 24 0.171 8.511 0.867 1.00 0.00 C ATOM 359 OE1 GLN A 24 0.822 9.473 0.513 1.00 0.00 O ATOM 360 NE2 GLN A 24 0.128 8.175 2.129 1.00 0.00 N ATOM 0 H GLN A 24 -1.727 7.120 -2.707 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.408 6.687 -0.205 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.947 9.198 -0.959 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.445 8.621 0.619 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.723 6.643 0.243 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.089 7.604 -1.079 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.420 7.366 2.423 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.642 8.721 2.820 1.00 0.00 H new ATOM 369 N VAL A 25 -5.286 7.469 -1.652 1.00 0.00 N ATOM 370 CA VAL A 25 -6.466 8.011 -2.380 1.00 0.00 C ATOM 371 C VAL A 25 -7.494 8.501 -1.359 1.00 0.00 C ATOM 372 O VAL A 25 -7.421 8.195 -0.185 1.00 0.00 O ATOM 373 CB VAL A 25 -7.043 6.863 -3.267 1.00 0.00 C ATOM 374 CG1 VAL A 25 -8.092 7.399 -4.267 1.00 0.00 C ATOM 375 CG2 VAL A 25 -5.921 6.154 -4.059 1.00 0.00 C ATOM 0 H VAL A 25 -5.495 6.691 -1.026 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.197 8.854 -3.017 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.519 6.151 -2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.474 6.575 -4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.914 7.860 -3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.629 8.140 -4.918 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.352 5.359 -4.668 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.420 6.875 -4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.199 5.727 -3.363 1.00 0.00 H new ATOM 385 N GLN A 26 -8.419 9.250 -1.888 1.00 0.00 N ATOM 386 CA GLN A 26 -9.539 9.856 -1.105 1.00 0.00 C ATOM 387 C GLN A 26 -10.858 9.163 -1.497 1.00 0.00 C ATOM 388 O GLN A 26 -11.403 9.414 -2.555 1.00 0.00 O ATOM 389 CB GLN A 26 -9.585 11.371 -1.424 1.00 0.00 C ATOM 390 CG GLN A 26 -10.623 12.106 -0.535 1.00 0.00 C ATOM 391 CD GLN A 26 -12.072 11.769 -0.940 1.00 0.00 C ATOM 392 OE1 GLN A 26 -12.819 11.054 -0.145 1.00 0.00 O flip ATOM 393 NE2 GLN A 26 -12.538 12.157 -1.992 1.00 0.00 N flip ATOM 0 H GLN A 26 -8.447 9.479 -2.882 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.390 9.722 -0.034 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.598 11.807 -1.270 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.836 11.516 -2.475 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.465 11.832 0.508 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.467 13.182 -0.609 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.969 12.717 -2.626 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.499 11.923 -2.241 1.00 0.00 H new ATOM 402 N THR A 27 -11.322 8.307 -0.619 1.00 0.00 N ATOM 403 CA THR A 27 -12.591 7.550 -0.841 1.00 0.00 C ATOM 404 C THR A 27 -13.617 7.956 0.217 1.00 0.00 C ATOM 405 O THR A 27 -13.309 8.685 1.139 1.00 0.00 O ATOM 406 CB THR A 27 -12.275 6.034 -0.757 1.00 0.00 C ATOM 407 OG1 THR A 27 -13.507 5.335 -0.875 1.00 0.00 O ATOM 408 CG2 THR A 27 -11.720 5.630 0.628 1.00 0.00 C ATOM 0 H THR A 27 -10.860 8.097 0.266 1.00 0.00 H new ATOM 0 HA THR A 27 -13.010 7.775 -1.822 1.00 0.00 H new ATOM 0 HB THR A 27 -11.546 5.804 -1.534 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.342 4.370 -0.827 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.514 4.560 0.639 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.799 6.179 0.825 1.00 0.00 H new ATOM 0 HG23 THR A 27 -12.455 5.866 1.397 1.00 0.00 H new ATOM 416 N ARG A 28 -14.797 7.437 -0.001 1.00 0.00 N ATOM 417 CA ARG A 28 -16.014 7.649 0.859 1.00 0.00 C ATOM 418 C ARG A 28 -15.741 8.437 2.151 1.00 0.00 C ATOM 419 O ARG A 28 -15.553 7.867 3.207 1.00 0.00 O ATOM 420 CB ARG A 28 -16.600 6.283 1.206 1.00 0.00 C ATOM 421 CG ARG A 28 -17.921 6.466 2.007 1.00 0.00 C ATOM 422 CD ARG A 28 -18.237 5.190 2.813 1.00 0.00 C ATOM 423 NE ARG A 28 -17.075 4.940 3.723 1.00 0.00 N ATOM 424 CZ ARG A 28 -17.197 5.095 5.011 1.00 0.00 C ATOM 425 NH1 ARG A 28 -17.737 4.141 5.717 1.00 0.00 N ATOM 426 NH2 ARG A 28 -16.771 6.209 5.544 1.00 0.00 N ATOM 0 H ARG A 28 -14.982 6.829 -0.799 1.00 0.00 H new ATOM 0 HA ARG A 28 -16.713 8.256 0.283 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -16.792 5.717 0.294 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.884 5.708 1.793 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -17.831 7.318 2.681 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -18.741 6.686 1.324 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -19.155 5.316 3.387 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -18.392 4.342 2.146 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.180 4.646 3.332 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -18.057 3.287 5.260 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -17.839 4.248 6.726 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -16.356 6.930 4.954 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.854 6.358 6.550 1.00 0.00 H new ATOM 440 N SER A 29 -15.747 9.726 1.944 1.00 0.00 N ATOM 441 CA SER A 29 -15.514 10.812 2.962 1.00 0.00 C ATOM 442 C SER A 29 -14.642 11.895 2.303 1.00 0.00 C ATOM 443 O SER A 29 -13.426 11.846 2.362 1.00 0.00 O ATOM 444 CB SER A 29 -14.758 10.294 4.207 1.00 0.00 C ATOM 445 OG SER A 29 -15.705 9.582 4.999 1.00 0.00 O ATOM 0 H SER A 29 -15.922 10.109 1.015 1.00 0.00 H new ATOM 0 HA SER A 29 -16.484 11.191 3.283 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.933 9.645 3.915 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.328 11.122 4.770 1.00 0.00 H new ATOM 0 HG SER A 29 -15.963 8.757 4.538 1.00 0.00 H new ATOM 451 N ALA A 30 -15.310 12.845 1.692 1.00 0.00 N ATOM 452 CA ALA A 30 -14.609 13.972 0.998 1.00 0.00 C ATOM 453 C ALA A 30 -14.792 15.231 1.860 1.00 0.00 C ATOM 454 O ALA A 30 -14.941 16.337 1.376 1.00 0.00 O ATOM 455 CB ALA A 30 -15.254 14.133 -0.385 1.00 0.00 C ATOM 0 H ALA A 30 -16.328 12.887 1.644 1.00 0.00 H new ATOM 0 HA ALA A 30 -13.542 13.790 0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.767 14.948 -0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -15.140 13.208 -0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -16.314 14.358 -0.268 1.00 0.00 H new ATOM 461 N ASP A 31 -14.770 14.978 3.140 1.00 0.00 N ATOM 462 CA ASP A 31 -14.924 16.029 4.191 1.00 0.00 C ATOM 463 C ASP A 31 -13.810 15.841 5.227 1.00 0.00 C ATOM 464 O ASP A 31 -13.447 16.748 5.952 1.00 0.00 O ATOM 465 CB ASP A 31 -16.303 15.867 4.854 1.00 0.00 C ATOM 466 CG ASP A 31 -17.401 15.910 3.775 1.00 0.00 C ATOM 467 OD1 ASP A 31 -17.527 16.960 3.164 1.00 0.00 O ATOM 468 OD2 ASP A 31 -18.053 14.892 3.615 1.00 0.00 O ATOM 0 H ASP A 31 -14.645 14.039 3.518 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.853 17.027 3.759 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.349 14.923 5.397 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.463 16.662 5.583 1.00 0.00 H new ATOM 473 N GLU A 32 -13.318 14.629 5.237 1.00 0.00 N ATOM 474 CA GLU A 32 -12.263 14.152 6.107 1.00 0.00 C ATOM 475 C GLU A 32 -11.147 13.659 5.133 1.00 0.00 C ATOM 476 O GLU A 32 -11.378 13.476 3.952 1.00 0.00 O ATOM 477 CB GLU A 32 -12.884 13.018 6.956 1.00 0.00 C ATOM 478 CG GLU A 32 -14.079 13.578 7.764 1.00 0.00 C ATOM 479 CD GLU A 32 -14.724 12.448 8.586 1.00 0.00 C ATOM 480 OE1 GLU A 32 -14.058 11.989 9.501 1.00 0.00 O ATOM 481 OE2 GLU A 32 -15.847 12.105 8.255 1.00 0.00 O ATOM 0 H GLU A 32 -13.659 13.905 4.605 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.840 14.884 6.795 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.216 12.205 6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.136 12.603 7.632 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.741 14.375 8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.814 14.015 7.088 1.00 0.00 H new ATOM 488 N PRO A 33 -9.980 13.472 5.690 1.00 0.00 N ATOM 489 CA PRO A 33 -8.760 12.858 5.091 1.00 0.00 C ATOM 490 C PRO A 33 -8.890 11.728 4.056 1.00 0.00 C ATOM 491 O PRO A 33 -9.961 11.343 3.630 1.00 0.00 O ATOM 492 CB PRO A 33 -7.962 12.445 6.327 1.00 0.00 C ATOM 493 CG PRO A 33 -8.241 13.622 7.285 1.00 0.00 C ATOM 494 CD PRO A 33 -9.747 13.887 7.082 1.00 0.00 C ATOM 0 HA PRO A 33 -8.292 13.588 4.430 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.303 11.494 6.736 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.899 12.336 6.111 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.013 13.363 8.319 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -7.640 14.497 7.035 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.354 13.311 7.780 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.995 14.937 7.235 1.00 0.00 H new ATOM 502 N MET A 34 -7.729 11.237 3.705 1.00 0.00 N ATOM 503 CA MET A 34 -7.593 10.131 2.712 1.00 0.00 C ATOM 504 C MET A 34 -7.210 8.859 3.490 1.00 0.00 C ATOM 505 O MET A 34 -7.184 8.845 4.706 1.00 0.00 O ATOM 506 CB MET A 34 -6.481 10.528 1.696 1.00 0.00 C ATOM 507 CG MET A 34 -5.089 10.048 2.169 1.00 0.00 C ATOM 508 SD MET A 34 -4.487 10.638 3.774 1.00 0.00 S ATOM 509 CE MET A 34 -3.373 11.943 3.199 1.00 0.00 C ATOM 0 H MET A 34 -6.841 11.570 4.080 1.00 0.00 H new ATOM 0 HA MET A 34 -8.517 9.951 2.162 1.00 0.00 H new ATOM 0 HB2 MET A 34 -6.705 10.095 0.721 1.00 0.00 H new ATOM 0 HB3 MET A 34 -6.471 11.611 1.569 1.00 0.00 H new ATOM 0 HG2 MET A 34 -5.103 8.958 2.197 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.360 10.338 1.412 1.00 0.00 H new ATOM 0 HE1 MET A 34 -2.905 12.426 4.057 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.603 11.509 2.561 1.00 0.00 H new ATOM 0 HE3 MET A 34 -3.940 12.681 2.632 1.00 0.00 H new ATOM 519 N THR A 35 -6.927 7.830 2.737 1.00 0.00 N ATOM 520 CA THR A 35 -6.530 6.520 3.339 1.00 0.00 C ATOM 521 C THR A 35 -5.391 5.947 2.481 1.00 0.00 C ATOM 522 O THR A 35 -5.240 6.317 1.331 1.00 0.00 O ATOM 523 CB THR A 35 -7.730 5.557 3.328 1.00 0.00 C ATOM 524 OG1 THR A 35 -8.846 6.317 3.771 1.00 0.00 O ATOM 525 CG2 THR A 35 -7.580 4.487 4.424 1.00 0.00 C ATOM 0 H THR A 35 -6.954 7.840 1.717 1.00 0.00 H new ATOM 0 HA THR A 35 -6.206 6.651 4.371 1.00 0.00 H new ATOM 0 HB THR A 35 -7.818 5.110 2.338 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.645 5.749 3.782 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.439 3.817 4.398 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.668 3.915 4.252 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.526 4.970 5.399 1.00 0.00 H new ATOM 533 N THR A 36 -4.637 5.050 3.064 1.00 0.00 N ATOM 534 CA THR A 36 -3.489 4.412 2.347 1.00 0.00 C ATOM 535 C THR A 36 -3.716 2.921 2.103 1.00 0.00 C ATOM 536 O THR A 36 -3.947 2.161 3.022 1.00 0.00 O ATOM 537 CB THR A 36 -2.202 4.629 3.195 1.00 0.00 C ATOM 538 OG1 THR A 36 -1.790 5.956 2.890 1.00 0.00 O ATOM 539 CG2 THR A 36 -1.023 3.736 2.753 1.00 0.00 C ATOM 0 H THR A 36 -4.770 4.727 4.022 1.00 0.00 H new ATOM 0 HA THR A 36 -3.388 4.877 1.366 1.00 0.00 H new ATOM 0 HB THR A 36 -2.428 4.414 4.239 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.628 6.448 3.722 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.158 3.937 3.385 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.305 2.687 2.847 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.772 3.952 1.715 1.00 0.00 H new ATOM 547 N PHE A 37 -3.635 2.560 0.850 1.00 0.00 N ATOM 548 CA PHE A 37 -3.810 1.168 0.400 1.00 0.00 C ATOM 549 C PHE A 37 -2.387 0.796 -0.030 1.00 0.00 C ATOM 550 O PHE A 37 -1.709 1.607 -0.629 1.00 0.00 O ATOM 551 CB PHE A 37 -4.735 1.170 -0.774 1.00 0.00 C ATOM 552 CG PHE A 37 -6.015 1.992 -0.521 1.00 0.00 C ATOM 553 CD1 PHE A 37 -6.722 1.940 0.677 1.00 0.00 C ATOM 554 CD2 PHE A 37 -6.482 2.804 -1.539 1.00 0.00 C ATOM 555 CE1 PHE A 37 -7.871 2.696 0.830 1.00 0.00 C ATOM 556 CE2 PHE A 37 -7.624 3.551 -1.381 1.00 0.00 C ATOM 557 CZ PHE A 37 -8.322 3.500 -0.197 1.00 0.00 C ATOM 0 H PHE A 37 -3.445 3.215 0.092 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.227 0.484 1.140 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.214 1.575 -1.642 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.009 0.143 -1.017 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.375 1.312 1.484 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.940 2.851 -2.472 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.419 2.657 1.760 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.974 4.179 -2.187 1.00 0.00 H new ATOM 0 HZ PHE A 37 -9.220 4.087 -0.071 1.00 0.00 H new ATOM 567 N VAL A 38 -1.981 -0.406 0.269 1.00 0.00 N ATOM 568 CA VAL A 38 -0.610 -0.866 -0.100 1.00 0.00 C ATOM 569 C VAL A 38 -0.725 -2.194 -0.837 1.00 0.00 C ATOM 570 O VAL A 38 -1.481 -3.054 -0.425 1.00 0.00 O ATOM 571 CB VAL A 38 0.236 -1.071 1.170 1.00 0.00 C ATOM 572 CG1 VAL A 38 1.727 -1.205 0.790 1.00 0.00 C ATOM 573 CG2 VAL A 38 0.033 0.068 2.163 1.00 0.00 C ATOM 0 H VAL A 38 -2.547 -1.099 0.759 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.132 -0.117 -0.732 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.092 -1.990 1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.321 -1.350 1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.858 -2.061 0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.056 -0.299 0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.644 -0.108 3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.326 1.010 1.701 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.017 0.117 2.451 1.00 0.00 H new ATOM 583 N VAL A 39 0.038 -2.304 -1.893 1.00 0.00 N ATOM 584 CA VAL A 39 0.051 -3.535 -2.722 1.00 0.00 C ATOM 585 C VAL A 39 1.510 -3.971 -2.901 1.00 0.00 C ATOM 586 O VAL A 39 2.390 -3.159 -3.111 1.00 0.00 O ATOM 587 CB VAL A 39 -0.630 -3.223 -4.097 1.00 0.00 C ATOM 588 CG1 VAL A 39 0.032 -2.001 -4.772 1.00 0.00 C ATOM 589 CG2 VAL A 39 -0.534 -4.447 -5.045 1.00 0.00 C ATOM 0 H VAL A 39 0.667 -1.570 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.502 -4.345 -2.247 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.679 -2.999 -3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.457 -1.803 -5.726 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.068 -1.130 -4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.089 -2.207 -4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.013 -4.210 -5.995 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.514 -4.692 -5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.035 -5.301 -4.589 1.00 0.00 H new ATOM 599 N CYS A 40 1.705 -5.254 -2.803 1.00 0.00 N ATOM 600 CA CYS A 40 3.071 -5.831 -2.962 1.00 0.00 C ATOM 601 C CYS A 40 3.340 -6.204 -4.410 1.00 0.00 C ATOM 602 O CYS A 40 2.807 -7.148 -4.956 1.00 0.00 O ATOM 603 CB CYS A 40 3.241 -7.089 -2.133 1.00 0.00 C ATOM 604 SG CYS A 40 4.727 -8.041 -2.530 1.00 0.00 S ATOM 0 H CYS A 40 0.970 -5.937 -2.618 1.00 0.00 H new ATOM 0 HA CYS A 40 3.770 -5.064 -2.628 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.269 -6.815 -1.078 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.367 -7.725 -2.274 1.00 0.00 H new ATOM 610 N ASN A 41 4.195 -5.403 -4.974 1.00 0.00 N ATOM 611 CA ASN A 41 4.650 -5.528 -6.381 1.00 0.00 C ATOM 612 C ASN A 41 5.341 -6.875 -6.614 1.00 0.00 C ATOM 613 O ASN A 41 5.589 -7.262 -7.740 1.00 0.00 O ATOM 614 CB ASN A 41 5.649 -4.436 -6.656 1.00 0.00 C ATOM 615 CG ASN A 41 5.101 -3.074 -6.260 1.00 0.00 C ATOM 616 OD1 ASN A 41 4.161 -2.561 -6.833 1.00 0.00 O ATOM 617 ND2 ASN A 41 5.680 -2.462 -5.269 1.00 0.00 N ATOM 0 H ASN A 41 4.622 -4.618 -4.482 1.00 0.00 H new ATOM 0 HA ASN A 41 3.784 -5.453 -7.038 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.569 -4.634 -6.106 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.906 -4.433 -7.715 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.345 -1.546 -4.969 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.469 -2.898 -4.792 1.00 0.00 H new ATOM 624 N GLU A 42 5.619 -7.543 -5.526 1.00 0.00 N ATOM 625 CA GLU A 42 6.307 -8.845 -5.571 1.00 0.00 C ATOM 626 C GLU A 42 5.509 -10.126 -5.778 1.00 0.00 C ATOM 627 O GLU A 42 5.840 -10.890 -6.665 1.00 0.00 O ATOM 628 CB GLU A 42 7.133 -8.894 -4.266 1.00 0.00 C ATOM 629 CG GLU A 42 7.629 -7.464 -3.815 1.00 0.00 C ATOM 630 CD GLU A 42 8.490 -7.592 -2.545 1.00 0.00 C ATOM 631 OE1 GLU A 42 9.482 -8.304 -2.614 1.00 0.00 O ATOM 632 OE2 GLU A 42 8.108 -6.961 -1.572 1.00 0.00 O ATOM 0 H GLU A 42 5.387 -7.222 -4.586 1.00 0.00 H new ATOM 0 HA GLU A 42 6.879 -8.859 -6.498 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.528 -9.333 -3.472 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.994 -9.546 -4.408 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.208 -7.000 -4.614 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.774 -6.815 -3.623 1.00 0.00 H new ATOM 639 N CYS A 43 4.499 -10.341 -4.990 1.00 0.00 N ATOM 640 CA CYS A 43 3.675 -11.574 -5.132 1.00 0.00 C ATOM 641 C CYS A 43 2.286 -11.072 -5.455 1.00 0.00 C ATOM 642 O CYS A 43 1.479 -11.786 -6.017 1.00 0.00 O ATOM 643 CB CYS A 43 3.623 -12.341 -3.825 1.00 0.00 C ATOM 644 SG CYS A 43 2.721 -11.539 -2.480 1.00 0.00 S ATOM 0 H CYS A 43 4.203 -9.710 -4.245 1.00 0.00 H new ATOM 0 HA CYS A 43 4.083 -12.241 -5.891 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.168 -13.313 -4.014 1.00 0.00 H new ATOM 0 HB3 CYS A 43 4.645 -12.526 -3.493 1.00 0.00 H new ATOM 650 N GLY A 44 2.070 -9.833 -5.076 1.00 0.00 N ATOM 651 CA GLY A 44 0.730 -9.228 -5.332 1.00 0.00 C ATOM 652 C GLY A 44 -0.205 -9.482 -4.136 1.00 0.00 C ATOM 653 O GLY A 44 -1.192 -10.181 -4.261 1.00 0.00 O ATOM 0 H GLY A 44 2.748 -9.229 -4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.833 -8.156 -5.501 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.298 -9.653 -6.238 1.00 0.00 H new ATOM 657 N ASN A 45 0.149 -8.903 -3.019 1.00 0.00 N ATOM 658 CA ASN A 45 -0.624 -9.028 -1.746 1.00 0.00 C ATOM 659 C ASN A 45 -1.177 -7.612 -1.588 1.00 0.00 C ATOM 660 O ASN A 45 -0.445 -6.677 -1.808 1.00 0.00 O ATOM 661 CB ASN A 45 0.379 -9.406 -0.634 1.00 0.00 C ATOM 662 CG ASN A 45 -0.234 -9.948 0.632 1.00 0.00 C ATOM 663 OD1 ASN A 45 0.621 -10.177 1.586 1.00 0.00 O flip ATOM 664 ND2 ASN A 45 -1.420 -10.169 0.777 1.00 0.00 N flip ATOM 0 H ASN A 45 0.982 -8.321 -2.934 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.414 -9.779 -1.718 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.071 -10.149 -1.030 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.968 -8.523 -0.384 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.071 -9.981 0.014 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.765 -10.542 1.661 1.00 0.00 H new ATOM 671 N ARG A 46 -2.416 -7.458 -1.226 1.00 0.00 N ATOM 672 CA ARG A 46 -2.990 -6.081 -1.069 1.00 0.00 C ATOM 673 C ARG A 46 -3.718 -5.924 0.274 1.00 0.00 C ATOM 674 O ARG A 46 -4.547 -6.737 0.635 1.00 0.00 O ATOM 675 CB ARG A 46 -3.942 -5.842 -2.265 1.00 0.00 C ATOM 676 CG ARG A 46 -5.043 -6.929 -2.309 1.00 0.00 C ATOM 677 CD ARG A 46 -5.820 -6.835 -3.625 1.00 0.00 C ATOM 678 NE ARG A 46 -6.629 -5.581 -3.622 1.00 0.00 N ATOM 679 CZ ARG A 46 -7.930 -5.675 -3.668 1.00 0.00 C ATOM 680 NH1 ARG A 46 -8.508 -5.916 -4.814 1.00 0.00 N ATOM 681 NH2 ARG A 46 -8.602 -5.530 -2.561 1.00 0.00 N ATOM 0 H ARG A 46 -3.063 -8.222 -1.030 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.194 -5.336 -1.065 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.400 -4.856 -2.182 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.375 -5.853 -3.196 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.594 -7.917 -2.212 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.723 -6.804 -1.466 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.131 -6.837 -4.470 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.470 -7.702 -3.741 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.174 -4.669 -3.585 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.944 -6.028 -5.656 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.524 -5.992 -4.867 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.110 -5.348 -1.686 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.620 -5.599 -2.569 1.00 0.00 H new ATOM 695 N TRP A 47 -3.379 -4.874 0.976 1.00 0.00 N ATOM 696 CA TRP A 47 -3.995 -4.586 2.304 1.00 0.00 C ATOM 697 C TRP A 47 -4.053 -3.064 2.518 1.00 0.00 C ATOM 698 O TRP A 47 -3.625 -2.310 1.667 1.00 0.00 O ATOM 699 CB TRP A 47 -3.127 -5.289 3.349 1.00 0.00 C ATOM 700 CG TRP A 47 -1.756 -4.613 3.422 1.00 0.00 C ATOM 701 CD1 TRP A 47 -1.469 -3.669 4.348 1.00 0.00 C ATOM 702 CD2 TRP A 47 -0.676 -4.829 2.629 1.00 0.00 C ATOM 703 NE1 TRP A 47 -0.224 -3.353 4.075 1.00 0.00 N ATOM 704 CE2 TRP A 47 0.336 -3.995 3.065 1.00 0.00 C ATOM 705 CE3 TRP A 47 -0.431 -5.665 1.544 1.00 0.00 C ATOM 706 CZ2 TRP A 47 1.561 -3.989 2.446 1.00 0.00 C ATOM 707 CZ3 TRP A 47 0.802 -5.654 0.928 1.00 0.00 C ATOM 708 CH2 TRP A 47 1.794 -4.818 1.378 1.00 0.00 C ATOM 0 H TRP A 47 -2.685 -4.189 0.677 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.019 -4.952 2.378 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -3.613 -5.252 4.324 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -3.011 -6.341 3.090 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.108 -3.272 5.123 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.283 -2.650 4.613 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.208 -6.323 1.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 2.342 -3.332 2.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 0.989 -6.306 0.087 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.758 -4.813 0.891 1.00 0.00 H new ATOM 719 N LYS A 48 -4.574 -2.654 3.645 1.00 0.00 N ATOM 720 CA LYS A 48 -4.670 -1.184 3.950 1.00 0.00 C ATOM 721 C LYS A 48 -3.900 -0.862 5.233 1.00 0.00 C ATOM 722 O LYS A 48 -3.642 -1.720 6.055 1.00 0.00 O ATOM 723 CB LYS A 48 -6.126 -0.730 4.180 1.00 0.00 C ATOM 724 CG LYS A 48 -7.084 -1.132 3.049 1.00 0.00 C ATOM 725 CD LYS A 48 -8.486 -0.581 3.442 1.00 0.00 C ATOM 726 CE LYS A 48 -9.575 -0.975 2.424 1.00 0.00 C ATOM 727 NZ LYS A 48 -10.018 -2.387 2.625 1.00 0.00 N ATOM 0 H LYS A 48 -4.939 -3.270 4.372 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.255 -0.664 3.087 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.486 -1.155 5.117 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.146 0.354 4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.756 -0.716 2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.112 -2.215 2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.759 -0.958 4.427 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.439 0.505 3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.429 -0.305 2.524 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.191 -0.852 1.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.751 -2.624 1.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.206 -3.026 2.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.406 -2.496 3.584 1.00 0.00 H new ATOM 741 N PHE A 49 -3.567 0.396 5.348 1.00 0.00 N ATOM 742 CA PHE A 49 -2.813 0.916 6.536 1.00 0.00 C ATOM 743 C PHE A 49 -3.816 1.815 7.262 1.00 0.00 C ATOM 744 O PHE A 49 -3.553 2.939 7.645 1.00 0.00 O ATOM 745 CB PHE A 49 -1.592 1.699 6.018 1.00 0.00 C ATOM 746 CG PHE A 49 -0.685 2.150 7.182 1.00 0.00 C ATOM 747 CD1 PHE A 49 -0.203 1.225 8.093 1.00 0.00 C ATOM 748 CD2 PHE A 49 -0.331 3.479 7.330 1.00 0.00 C ATOM 749 CE1 PHE A 49 0.616 1.621 9.127 1.00 0.00 C ATOM 750 CE2 PHE A 49 0.492 3.874 8.369 1.00 0.00 C ATOM 751 CZ PHE A 49 0.965 2.943 9.268 1.00 0.00 C ATOM 0 H PHE A 49 -3.791 1.107 4.651 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.437 0.145 7.209 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.022 1.075 5.330 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.927 2.570 5.456 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.472 0.184 7.992 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.700 4.213 6.629 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.986 0.889 9.830 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.764 4.914 8.476 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.607 3.251 10.080 1.00 0.00 H new ATOM 761 N CYS A 50 -4.961 1.208 7.402 1.00 0.00 N ATOM 762 CA CYS A 50 -6.140 1.825 8.060 1.00 0.00 C ATOM 763 C CYS A 50 -6.622 0.996 9.260 1.00 0.00 C ATOM 764 O CYS A 50 -6.244 -0.140 9.472 1.00 0.00 O ATOM 765 CB CYS A 50 -7.209 1.938 6.988 1.00 0.00 C ATOM 766 SG CYS A 50 -8.838 2.551 7.475 1.00 0.00 S ATOM 0 H CYS A 50 -5.131 0.259 7.068 1.00 0.00 H new ATOM 0 HA CYS A 50 -5.891 2.804 8.469 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.827 2.591 6.203 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -7.342 0.951 6.544 1.00 0.00 H new ATOM 0 HG CYS A 50 -9.618 2.583 6.436 1.00 0.00 H new TER 772 CYS A 50 HETATM 773 ZN ZN A 51 4.481 -10.243 -1.780 1.00 0.00 ZN