USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 397 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 16 CYS SG : rot -70:sc= -1.84! USER MOD Set 1.2: A 34 CYS SG : rot -149:sc= 0.926! USER MOD Set 1.3: A 38 TYR OH : rot -116:sc= 0.522 USER MOD Set 1.4: A 43 CYS SG : rot -125:sc= 0.107! USER MOD Set 2.1: A 8 CYS SG : rot 140:sc= -0.485 USER MOD Set 2.2: A 13 LYS NZ :NH3+ -164:sc= -1.91! (180deg=-2.2) USER MOD Set 2.3: A 15 TYR OH : rot -172:sc= -0.946! USER MOD Set 2.4: A 21 CYS SG : rot 35:sc= 0.859 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -2.24 K(o=-2.2,f=-3.7!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.409 K(o=-0.41,f=-2.5!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-0.31) USER MOD Single : A 18 LYS NZ :NH3+ 158:sc= -4.17! (180deg=-5.07!) USER MOD Single : A 28 GLN : amide:sc= -0.105 K(o=-0.1,f=-2.5) USER MOD Single : A 29 THR OG1 : rot 84:sc= 0.583 USER MOD Single : A 31 SER OG : rot 180:sc= -0.444 USER MOD Single : A 32 CYS SG : rot 15:sc= 1.06 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.050 18.225 -15.210 1.00 0.00 N ATOM 2 CA ARG A 1 1.622 17.061 -14.475 1.00 0.00 C ATOM 3 C ARG A 1 1.888 17.437 -13.014 1.00 0.00 C ATOM 4 O ARG A 1 2.903 18.019 -12.688 1.00 0.00 O ATOM 5 CB ARG A 1 2.933 16.741 -15.194 1.00 0.00 C ATOM 6 CG ARG A 1 3.506 15.431 -14.651 1.00 0.00 C ATOM 7 CD ARG A 1 4.022 14.579 -15.813 1.00 0.00 C ATOM 8 NE ARG A 1 5.154 13.797 -15.244 1.00 0.00 N ATOM 9 CZ ARG A 1 5.268 12.525 -15.510 1.00 0.00 C ATOM 10 NH1 ARG A 1 4.318 11.699 -15.166 1.00 0.00 N ATOM 11 NH2 ARG A 1 6.331 12.079 -16.121 1.00 0.00 N ATOM 0 H1 ARG A 1 0.874 17.958 -16.200 1.00 0.00 H new ATOM 0 H2 ARG A 1 0.155 18.511 -14.764 1.00 0.00 H new ATOM 0 H3 ARG A 1 1.721 19.019 -15.180 1.00 0.00 H new ATOM 0 HA ARG A 1 0.945 16.207 -14.465 1.00 0.00 H new ATOM 0 HB2 ARG A 1 2.761 16.658 -16.267 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.647 17.551 -15.048 1.00 0.00 H new ATOM 0 HG2 ARG A 1 4.315 15.638 -13.951 1.00 0.00 H new ATOM 0 HG3 ARG A 1 2.739 14.887 -14.100 1.00 0.00 H new ATOM 0 HD2 ARG A 1 3.242 13.922 -16.197 1.00 0.00 H new ATOM 0 HD3 ARG A 1 4.351 15.203 -16.644 1.00 0.00 H new ATOM 0 HE ARG A 1 5.841 14.256 -14.646 1.00 0.00 H new ATOM 0 HH11 ARG A 1 3.487 12.048 -14.689 1.00 0.00 H new ATOM 0 HH12 ARG A 1 4.407 10.704 -15.374 1.00 0.00 H new ATOM 0 HH21 ARG A 1 7.073 12.725 -16.391 1.00 0.00 H new ATOM 0 HH22 ARG A 1 6.420 11.084 -16.329 1.00 0.00 H new ATOM 27 N LYS A 2 0.982 17.109 -12.133 1.00 0.00 N ATOM 28 CA LYS A 2 1.184 17.448 -10.695 1.00 0.00 C ATOM 29 C LYS A 2 1.133 16.178 -9.841 1.00 0.00 C ATOM 30 O LYS A 2 2.149 15.593 -9.520 1.00 0.00 O ATOM 31 CB LYS A 2 0.023 18.378 -10.343 1.00 0.00 C ATOM 32 CG LYS A 2 0.497 19.831 -10.400 1.00 0.00 C ATOM 33 CD LYS A 2 -0.412 20.630 -11.337 1.00 0.00 C ATOM 34 CE LYS A 2 -0.230 22.126 -11.074 1.00 0.00 C ATOM 35 NZ LYS A 2 -1.555 22.593 -10.580 1.00 0.00 N ATOM 0 H LYS A 2 0.112 16.622 -12.346 1.00 0.00 H new ATOM 0 HA LYS A 2 2.151 17.915 -10.511 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.802 18.226 -11.039 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.353 18.146 -9.347 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.482 20.269 -9.402 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.528 19.875 -10.752 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -0.173 20.401 -12.375 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.453 20.347 -11.180 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.552 22.305 -10.336 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.062 22.654 -11.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.510 23.612 -10.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.278 22.416 -11.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.803 22.078 -9.711 1.00 0.00 H new ATOM 49 N GLY A 3 -0.042 15.748 -9.470 1.00 0.00 N ATOM 50 CA GLY A 3 -0.157 14.516 -8.638 1.00 0.00 C ATOM 51 C GLY A 3 0.416 14.783 -7.246 1.00 0.00 C ATOM 52 O GLY A 3 1.591 15.049 -7.088 1.00 0.00 O ATOM 0 H GLY A 3 -0.927 16.196 -9.707 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.201 14.213 -8.561 1.00 0.00 H new ATOM 0 HA3 GLY A 3 0.379 13.694 -9.112 1.00 0.00 H new ATOM 56 N HIS A 4 -0.405 14.714 -6.233 1.00 0.00 N ATOM 57 CA HIS A 4 0.095 14.965 -4.851 1.00 0.00 C ATOM 58 C HIS A 4 -0.737 14.177 -3.835 1.00 0.00 C ATOM 59 O HIS A 4 -1.498 14.738 -3.073 1.00 0.00 O ATOM 60 CB HIS A 4 -0.076 16.469 -4.634 1.00 0.00 C ATOM 61 CG HIS A 4 1.044 17.205 -5.315 1.00 0.00 C ATOM 62 ND1 HIS A 4 2.350 16.742 -5.297 1.00 0.00 N ATOM 63 CD2 HIS A 4 1.069 18.371 -6.038 1.00 0.00 C ATOM 64 CE1 HIS A 4 3.100 17.619 -5.989 1.00 0.00 C ATOM 65 NE2 HIS A 4 2.369 18.632 -6.462 1.00 0.00 N ATOM 0 H HIS A 4 -1.399 14.495 -6.303 1.00 0.00 H new ATOM 0 HA HIS A 4 1.131 14.651 -4.724 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -1.036 16.798 -5.032 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -0.079 16.695 -3.568 1.00 0.00 H new ATOM 0 HD2 HIS A 4 0.210 18.992 -6.246 1.00 0.00 H new ATOM 0 HE1 HIS A 4 4.164 17.516 -6.143 1.00 0.00 H new ATOM 0 HE2 HIS A 4 2.693 19.426 -7.015 1.00 0.00 H new ATOM 73 N PHE A 5 -0.597 12.879 -3.819 1.00 0.00 N ATOM 74 CA PHE A 5 -1.380 12.058 -2.851 1.00 0.00 C ATOM 75 C PHE A 5 -0.576 11.848 -1.566 1.00 0.00 C ATOM 76 O PHE A 5 0.270 12.646 -1.215 1.00 0.00 O ATOM 77 CB PHE A 5 -1.619 10.729 -3.566 1.00 0.00 C ATOM 78 CG PHE A 5 -2.295 10.985 -4.891 1.00 0.00 C ATOM 79 CD1 PHE A 5 -3.666 11.261 -4.938 1.00 0.00 C ATOM 80 CD2 PHE A 5 -1.548 10.947 -6.075 1.00 0.00 C ATOM 81 CE1 PHE A 5 -4.291 11.500 -6.167 1.00 0.00 C ATOM 82 CE2 PHE A 5 -2.173 11.186 -7.305 1.00 0.00 C ATOM 83 CZ PHE A 5 -3.545 11.462 -7.352 1.00 0.00 C ATOM 0 H PHE A 5 0.024 12.352 -4.433 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.316 12.536 -2.561 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.672 10.213 -3.723 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.239 10.078 -2.949 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.242 11.290 -4.025 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.490 10.733 -6.039 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.349 11.714 -6.202 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.597 11.157 -8.218 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.027 11.645 -8.301 1.00 0.00 H new ATOM 93 N SER A 6 -0.831 10.779 -0.860 1.00 0.00 N ATOM 94 CA SER A 6 -0.079 10.525 0.402 1.00 0.00 C ATOM 95 C SER A 6 0.298 9.044 0.508 1.00 0.00 C ATOM 96 O SER A 6 -0.494 8.170 0.214 1.00 0.00 O ATOM 97 CB SER A 6 -1.043 10.913 1.522 1.00 0.00 C ATOM 98 OG SER A 6 -1.295 12.310 1.462 1.00 0.00 O ATOM 0 H SER A 6 -1.526 10.073 -1.102 1.00 0.00 H new ATOM 0 HA SER A 6 0.851 11.092 0.448 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.976 10.359 1.422 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.618 10.650 2.491 1.00 0.00 H new ATOM 0 HG SER A 6 -1.915 12.562 2.178 1.00 0.00 H new ATOM 104 N ARG A 7 1.499 8.757 0.927 1.00 0.00 N ATOM 105 CA ARG A 7 1.926 7.333 1.053 1.00 0.00 C ATOM 106 C ARG A 7 1.837 6.883 2.514 1.00 0.00 C ATOM 107 O ARG A 7 2.557 7.363 3.366 1.00 0.00 O ATOM 108 CB ARG A 7 3.379 7.309 0.573 1.00 0.00 C ATOM 109 CG ARG A 7 3.964 5.912 0.787 1.00 0.00 C ATOM 110 CD ARG A 7 5.453 6.027 1.122 1.00 0.00 C ATOM 111 NE ARG A 7 5.496 6.708 2.446 1.00 0.00 N ATOM 112 CZ ARG A 7 6.591 7.300 2.839 1.00 0.00 C ATOM 113 NH1 ARG A 7 7.705 6.627 2.917 1.00 0.00 N ATOM 114 NH2 ARG A 7 6.569 8.566 3.154 1.00 0.00 N ATOM 0 H ARG A 7 2.204 9.446 1.188 1.00 0.00 H new ATOM 0 HA ARG A 7 1.295 6.660 0.473 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.429 7.578 -0.482 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.966 8.048 1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.437 5.405 1.595 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.828 5.308 -0.110 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.925 5.045 1.167 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.985 6.602 0.364 1.00 0.00 H new ATOM 0 HE ARG A 7 4.670 6.712 3.045 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.721 5.637 2.671 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.560 7.090 3.224 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.697 9.092 3.093 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.424 9.030 3.461 1.00 0.00 H new ATOM 128 N CYS A 8 0.957 5.966 2.809 1.00 0.00 N ATOM 129 CA CYS A 8 0.823 5.486 4.215 1.00 0.00 C ATOM 130 C CYS A 8 2.149 4.892 4.699 1.00 0.00 C ATOM 131 O CYS A 8 2.691 4.001 4.077 1.00 0.00 O ATOM 132 CB CYS A 8 -0.259 4.408 4.162 1.00 0.00 C ATOM 133 SG CYS A 8 -1.637 4.878 5.236 1.00 0.00 S ATOM 0 H CYS A 8 0.325 5.528 2.139 1.00 0.00 H new ATOM 0 HA CYS A 8 0.565 6.290 4.904 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.610 4.281 3.138 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.152 3.450 4.479 1.00 0.00 H new ATOM 0 HG CYS A 8 -2.761 4.576 4.657 1.00 0.00 H new ATOM 138 N PRO A 9 2.629 5.408 5.800 1.00 0.00 N ATOM 139 CA PRO A 9 3.907 4.920 6.374 1.00 0.00 C ATOM 140 C PRO A 9 3.711 3.541 7.011 1.00 0.00 C ATOM 141 O PRO A 9 2.620 3.008 7.037 1.00 0.00 O ATOM 142 CB PRO A 9 4.247 5.965 7.432 1.00 0.00 C ATOM 143 CG PRO A 9 2.935 6.574 7.812 1.00 0.00 C ATOM 144 CD PRO A 9 2.036 6.482 6.606 1.00 0.00 C ATOM 0 HA PRO A 9 4.696 4.803 5.631 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.735 5.510 8.294 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.932 6.716 7.039 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.497 6.047 8.660 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.066 7.613 8.116 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.010 6.247 6.890 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.007 7.423 6.057 1.00 0.00 H new ATOM 152 N LYS A 10 4.760 2.961 7.526 1.00 0.00 N ATOM 153 CA LYS A 10 4.631 1.618 8.161 1.00 0.00 C ATOM 154 C LYS A 10 3.762 1.708 9.418 1.00 0.00 C ATOM 155 O LYS A 10 3.146 0.745 9.828 1.00 0.00 O ATOM 156 CB LYS A 10 6.060 1.211 8.522 1.00 0.00 C ATOM 157 CG LYS A 10 6.852 0.938 7.242 1.00 0.00 C ATOM 158 CD LYS A 10 7.759 -0.275 7.450 1.00 0.00 C ATOM 159 CE LYS A 10 8.386 -0.680 6.115 1.00 0.00 C ATOM 160 NZ LYS A 10 9.799 -0.215 6.197 1.00 0.00 N ATOM 0 H LYS A 10 5.700 3.358 7.535 1.00 0.00 H new ATOM 0 HA LYS A 10 4.157 0.892 7.500 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.540 2.002 9.098 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.048 0.321 9.152 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.170 0.757 6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.449 1.811 6.979 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.539 -0.039 8.173 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.185 -1.105 7.861 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.333 -1.758 5.965 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.866 -0.216 5.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.296 -0.457 5.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.818 0.816 6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.271 -0.679 6.999 1.00 0.00 H new ATOM 174 N GLN A 11 3.705 2.858 10.032 1.00 0.00 N ATOM 175 CA GLN A 11 2.873 3.005 11.261 1.00 0.00 C ATOM 176 C GLN A 11 1.390 2.839 10.916 1.00 0.00 C ATOM 177 O GLN A 11 0.571 2.563 11.770 1.00 0.00 O ATOM 178 CB GLN A 11 3.152 4.422 11.763 1.00 0.00 C ATOM 179 CG GLN A 11 2.968 4.471 13.281 1.00 0.00 C ATOM 180 CD GLN A 11 4.293 4.853 13.944 1.00 0.00 C ATOM 181 OE1 GLN A 11 5.160 5.424 13.313 1.00 0.00 O ATOM 182 NE2 GLN A 11 4.488 4.558 15.201 1.00 0.00 N ATOM 0 H GLN A 11 4.197 3.701 9.737 1.00 0.00 H new ATOM 0 HA GLN A 11 3.111 2.253 12.014 1.00 0.00 H new ATOM 0 HB2 GLN A 11 4.167 4.719 11.499 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.477 5.129 11.281 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.197 5.196 13.541 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.631 3.502 13.649 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.760 4.079 15.731 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.368 4.807 15.653 1.00 0.00 H new ATOM 191 N TYR A 12 1.038 3.004 9.669 1.00 0.00 N ATOM 192 CA TYR A 12 -0.391 2.855 9.271 1.00 0.00 C ATOM 193 C TYR A 12 -0.573 1.600 8.414 1.00 0.00 C ATOM 194 O TYR A 12 -1.610 1.390 7.816 1.00 0.00 O ATOM 195 CB TYR A 12 -0.708 4.109 8.456 1.00 0.00 C ATOM 196 CG TYR A 12 -1.303 5.160 9.360 1.00 0.00 C ATOM 197 CD1 TYR A 12 -2.482 4.892 10.064 1.00 0.00 C ATOM 198 CD2 TYR A 12 -0.677 6.405 9.493 1.00 0.00 C ATOM 199 CE1 TYR A 12 -3.035 5.866 10.903 1.00 0.00 C ATOM 200 CE2 TYR A 12 -1.229 7.381 10.332 1.00 0.00 C ATOM 201 CZ TYR A 12 -2.409 7.111 11.037 1.00 0.00 C ATOM 202 OH TYR A 12 -2.954 8.072 11.863 1.00 0.00 O ATOM 0 H TYR A 12 1.678 3.235 8.909 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.050 2.750 10.133 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.199 4.489 7.986 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.405 3.867 7.654 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.966 3.932 9.960 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.232 6.613 8.948 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.944 5.657 11.447 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -0.745 8.341 10.435 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.395 8.877 11.842 1.00 0.00 H new ATOM 212 N LYS A 13 0.427 0.765 8.349 1.00 0.00 N ATOM 213 CA LYS A 13 0.311 -0.474 7.528 1.00 0.00 C ATOM 214 C LYS A 13 -0.271 -1.615 8.367 1.00 0.00 C ATOM 215 O LYS A 13 0.229 -2.722 8.356 1.00 0.00 O ATOM 216 CB LYS A 13 1.743 -0.800 7.101 1.00 0.00 C ATOM 217 CG LYS A 13 2.100 0.007 5.850 1.00 0.00 C ATOM 218 CD LYS A 13 1.298 -0.517 4.658 1.00 0.00 C ATOM 219 CE LYS A 13 1.789 0.158 3.375 1.00 0.00 C ATOM 220 NZ LYS A 13 1.342 1.574 3.492 1.00 0.00 N ATOM 0 H LYS A 13 1.319 0.886 8.828 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.351 -0.341 6.672 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.437 -0.565 7.908 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.839 -1.867 6.898 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.883 1.063 6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.168 -0.072 5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.410 -1.598 4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.237 -0.316 4.804 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.873 0.092 3.284 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.365 -0.318 2.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.393 2.032 2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.362 1.601 3.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.959 2.079 4.160 1.00 0.00 H new ATOM 234 N HIS A 14 -1.334 -1.365 9.081 1.00 0.00 N ATOM 235 CA HIS A 14 -1.935 -2.448 9.909 1.00 0.00 C ATOM 236 C HIS A 14 -2.887 -3.262 9.042 1.00 0.00 C ATOM 237 O HIS A 14 -3.155 -4.418 9.301 1.00 0.00 O ATOM 238 CB HIS A 14 -2.701 -1.726 11.018 1.00 0.00 C ATOM 239 CG HIS A 14 -1.736 -0.966 11.885 1.00 0.00 C ATOM 240 ND1 HIS A 14 -2.031 0.289 12.394 1.00 0.00 N ATOM 241 CD2 HIS A 14 -0.478 -1.269 12.343 1.00 0.00 C ATOM 242 CE1 HIS A 14 -0.974 0.691 13.122 1.00 0.00 C ATOM 243 NE2 HIS A 14 0.002 -0.221 13.124 1.00 0.00 N ATOM 0 H HIS A 14 -1.810 -0.464 9.127 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.192 -3.132 10.320 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.431 -1.043 10.584 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.256 -2.446 11.619 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.058 -2.182 12.130 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -0.921 1.636 13.642 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.904 -0.162 13.596 1.00 0.00 H new ATOM 251 N TYR A 15 -3.369 -2.670 7.988 1.00 0.00 N ATOM 252 CA TYR A 15 -4.271 -3.411 7.067 1.00 0.00 C ATOM 253 C TYR A 15 -3.427 -4.089 5.983 1.00 0.00 C ATOM 254 O TYR A 15 -3.940 -4.770 5.118 1.00 0.00 O ATOM 255 CB TYR A 15 -5.197 -2.354 6.455 1.00 0.00 C ATOM 256 CG TYR A 15 -4.385 -1.174 5.973 1.00 0.00 C ATOM 257 CD1 TYR A 15 -3.524 -1.314 4.877 1.00 0.00 C ATOM 258 CD2 TYR A 15 -4.490 0.059 6.627 1.00 0.00 C ATOM 259 CE1 TYR A 15 -2.771 -0.220 4.436 1.00 0.00 C ATOM 260 CE2 TYR A 15 -3.736 1.152 6.186 1.00 0.00 C ATOM 261 CZ TYR A 15 -2.876 1.013 5.090 1.00 0.00 C ATOM 262 OH TYR A 15 -2.132 2.091 4.656 1.00 0.00 O ATOM 0 H TYR A 15 -3.177 -1.704 7.724 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.846 -4.186 7.574 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.756 -2.785 5.625 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -5.927 -2.026 7.195 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.441 -2.265 4.373 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.153 0.167 7.472 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.108 -0.327 3.590 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.817 2.103 6.691 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.226 2.830 5.292 1.00 0.00 H new ATOM 272 N CYS A 16 -2.128 -3.906 6.028 1.00 0.00 N ATOM 273 CA CYS A 16 -1.247 -4.540 5.004 1.00 0.00 C ATOM 274 C CYS A 16 0.196 -4.593 5.518 1.00 0.00 C ATOM 275 O CYS A 16 0.820 -3.575 5.740 1.00 0.00 O ATOM 276 CB CYS A 16 -1.344 -3.630 3.778 1.00 0.00 C ATOM 277 SG CYS A 16 -2.725 -4.164 2.737 1.00 0.00 S ATOM 0 H CYS A 16 -1.644 -3.346 6.729 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.546 -5.563 4.775 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.489 -2.596 4.090 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.413 -3.665 3.212 1.00 0.00 H new ATOM 0 HG CYS A 16 -2.437 -5.306 2.187 1.00 0.00 H new ATOM 282 N ILE A 17 0.733 -5.768 5.707 1.00 0.00 N ATOM 283 CA ILE A 17 2.137 -5.867 6.204 1.00 0.00 C ATOM 284 C ILE A 17 3.119 -5.569 5.067 1.00 0.00 C ATOM 285 O ILE A 17 3.854 -4.602 5.107 1.00 0.00 O ATOM 286 CB ILE A 17 2.287 -7.309 6.690 1.00 0.00 C ATOM 287 CG1 ILE A 17 1.615 -7.458 8.056 1.00 0.00 C ATOM 288 CG2 ILE A 17 3.772 -7.659 6.814 1.00 0.00 C ATOM 289 CD1 ILE A 17 1.616 -8.931 8.469 1.00 0.00 C ATOM 0 H ILE A 17 0.265 -6.659 5.540 1.00 0.00 H new ATOM 0 HA ILE A 17 2.348 -5.151 6.999 1.00 0.00 H new ATOM 0 HB ILE A 17 1.815 -7.982 5.974 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.143 -6.861 8.800 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.593 -7.082 8.013 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.876 -8.687 7.161 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.253 -7.553 5.842 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.246 -6.986 7.528 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.137 -9.036 9.442 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.069 -9.516 7.730 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.643 -9.291 8.529 1.00 0.00 H new ATOM 301 N LYS A 18 3.136 -6.388 4.049 1.00 0.00 N ATOM 302 CA LYS A 18 4.073 -6.137 2.912 1.00 0.00 C ATOM 303 C LYS A 18 3.313 -5.572 1.708 1.00 0.00 C ATOM 304 O LYS A 18 3.093 -6.247 0.720 1.00 0.00 O ATOM 305 CB LYS A 18 4.696 -7.498 2.579 1.00 0.00 C ATOM 306 CG LYS A 18 3.610 -8.494 2.164 1.00 0.00 C ATOM 307 CD LYS A 18 3.916 -9.857 2.789 1.00 0.00 C ATOM 308 CE LYS A 18 4.346 -10.840 1.698 1.00 0.00 C ATOM 309 NZ LYS A 18 3.102 -11.137 0.935 1.00 0.00 N ATOM 0 H LYS A 18 2.546 -7.215 3.954 1.00 0.00 H new ATOM 0 HA LYS A 18 4.838 -5.405 3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.422 -7.386 1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.237 -7.879 3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.632 -8.142 2.491 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.572 -8.578 1.078 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.706 -9.757 3.534 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.035 -10.236 3.307 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.110 -10.405 1.054 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.771 -11.747 2.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.351 -11.481 -0.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.554 -11.866 1.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.531 -10.272 0.851 1.00 0.00 H new ATOM 323 N GLY A 19 2.918 -4.329 1.784 1.00 0.00 N ATOM 324 CA GLY A 19 2.177 -3.704 0.652 1.00 0.00 C ATOM 325 C GLY A 19 2.267 -2.180 0.770 1.00 0.00 C ATOM 326 O GLY A 19 2.843 -1.654 1.701 1.00 0.00 O ATOM 0 H GLY A 19 3.078 -3.718 2.585 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.597 -4.032 -0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.134 -4.021 0.666 1.00 0.00 H new ATOM 330 N ARG A 20 1.699 -1.467 -0.164 1.00 0.00 N ATOM 331 CA ARG A 20 1.750 0.023 -0.097 1.00 0.00 C ATOM 332 C ARG A 20 0.351 0.604 -0.313 1.00 0.00 C ATOM 333 O ARG A 20 -0.266 0.395 -1.339 1.00 0.00 O ATOM 334 CB ARG A 20 2.688 0.441 -1.228 1.00 0.00 C ATOM 335 CG ARG A 20 4.138 0.200 -0.803 1.00 0.00 C ATOM 336 CD ARG A 20 4.941 1.491 -0.973 1.00 0.00 C ATOM 337 NE ARG A 20 6.297 1.046 -1.394 1.00 0.00 N ATOM 338 CZ ARG A 20 7.111 1.888 -1.972 1.00 0.00 C ATOM 339 NH1 ARG A 20 7.658 2.847 -1.277 1.00 0.00 N ATOM 340 NH2 ARG A 20 7.377 1.771 -3.244 1.00 0.00 N ATOM 0 H ARG A 20 1.203 -1.850 -0.969 1.00 0.00 H new ATOM 0 HA ARG A 20 2.099 0.383 0.871 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.463 -0.127 -2.130 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.538 1.494 -1.469 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.174 -0.129 0.236 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.577 -0.596 -1.405 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.489 2.142 -1.721 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.982 2.056 -0.042 1.00 0.00 H new ATOM 0 HE ARG A 20 6.591 0.083 -1.231 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.450 2.939 -0.283 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.294 3.505 -1.728 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.949 1.022 -3.788 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.013 2.429 -3.695 1.00 0.00 H new ATOM 354 N CYS A 21 -0.157 1.327 0.646 1.00 0.00 N ATOM 355 CA CYS A 21 -1.521 1.911 0.495 1.00 0.00 C ATOM 356 C CYS A 21 -1.436 3.423 0.262 1.00 0.00 C ATOM 357 O CYS A 21 -0.742 4.132 0.963 1.00 0.00 O ATOM 358 CB CYS A 21 -2.223 1.612 1.818 1.00 0.00 C ATOM 359 SG CYS A 21 -3.790 2.517 1.890 1.00 0.00 S ATOM 0 H CYS A 21 0.312 1.539 1.527 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.055 1.493 -0.358 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.405 0.541 1.911 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.585 1.901 2.653 1.00 0.00 H new ATOM 0 HG CYS A 21 -4.309 2.581 0.700 1.00 0.00 H new ATOM 364 N ARG A 22 -2.144 3.918 -0.715 1.00 0.00 N ATOM 365 CA ARG A 22 -2.115 5.382 -0.995 1.00 0.00 C ATOM 366 C ARG A 22 -3.408 6.036 -0.498 1.00 0.00 C ATOM 367 O ARG A 22 -4.492 5.685 -0.917 1.00 0.00 O ATOM 368 CB ARG A 22 -2.010 5.493 -2.515 1.00 0.00 C ATOM 369 CG ARG A 22 -0.727 4.806 -2.990 1.00 0.00 C ATOM 370 CD ARG A 22 -0.391 5.278 -4.406 1.00 0.00 C ATOM 371 NE ARG A 22 0.984 4.766 -4.664 1.00 0.00 N ATOM 372 CZ ARG A 22 1.709 5.296 -5.610 1.00 0.00 C ATOM 373 NH1 ARG A 22 1.645 4.821 -6.824 1.00 0.00 N ATOM 374 NH2 ARG A 22 2.498 6.300 -5.343 1.00 0.00 N ATOM 0 H ARG A 22 -2.743 3.371 -1.333 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.288 5.884 -0.493 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.878 5.031 -2.985 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.006 6.541 -2.814 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.095 5.038 -2.313 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.855 3.724 -2.976 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.102 4.885 -5.133 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.428 6.365 -4.480 1.00 0.00 H new ATOM 0 HE ARG A 22 1.358 4.002 -4.101 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.028 4.036 -7.033 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.212 5.235 -7.564 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.548 6.671 -4.394 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.065 6.714 -6.083 1.00 0.00 H new ATOM 388 N PHE A 23 -3.302 6.982 0.395 1.00 0.00 N ATOM 389 CA PHE A 23 -4.527 7.652 0.919 1.00 0.00 C ATOM 390 C PHE A 23 -4.679 9.047 0.305 1.00 0.00 C ATOM 391 O PHE A 23 -3.963 9.967 0.644 1.00 0.00 O ATOM 392 CB PHE A 23 -4.303 7.752 2.428 1.00 0.00 C ATOM 393 CG PHE A 23 -5.636 7.800 3.134 1.00 0.00 C ATOM 394 CD1 PHE A 23 -6.548 8.821 2.841 1.00 0.00 C ATOM 395 CD2 PHE A 23 -5.961 6.824 4.083 1.00 0.00 C ATOM 396 CE1 PHE A 23 -7.784 8.865 3.495 1.00 0.00 C ATOM 397 CE2 PHE A 23 -7.197 6.867 4.738 1.00 0.00 C ATOM 398 CZ PHE A 23 -8.109 7.888 4.445 1.00 0.00 C ATOM 0 H PHE A 23 -2.422 7.320 0.784 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.435 7.101 0.674 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.725 6.897 2.778 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.724 8.645 2.662 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -6.297 9.575 2.110 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.257 6.037 4.310 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.488 9.652 3.267 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -7.447 6.113 5.469 1.00 0.00 H new ATOM 0 HZ PHE A 23 -9.062 7.922 4.951 1.00 0.00 H new ATOM 408 N VAL A 24 -5.611 9.211 -0.595 1.00 0.00 N ATOM 409 CA VAL A 24 -5.812 10.548 -1.225 1.00 0.00 C ATOM 410 C VAL A 24 -6.653 11.441 -0.309 1.00 0.00 C ATOM 411 O VAL A 24 -7.787 11.129 0.007 1.00 0.00 O ATOM 412 CB VAL A 24 -6.560 10.261 -2.526 1.00 0.00 C ATOM 413 CG1 VAL A 24 -6.671 11.546 -3.348 1.00 0.00 C ATOM 414 CG2 VAL A 24 -5.797 9.207 -3.331 1.00 0.00 C ATOM 0 H VAL A 24 -6.241 8.478 -0.921 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.871 11.069 -1.401 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.559 9.891 -2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.205 11.340 -4.276 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.215 12.298 -2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.673 11.918 -3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.330 9.002 -4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.798 9.577 -3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.719 8.290 -2.747 1.00 0.00 H new ATOM 424 N VAL A 25 -6.105 12.549 0.123 1.00 0.00 N ATOM 425 CA VAL A 25 -6.865 13.465 1.023 1.00 0.00 C ATOM 426 C VAL A 25 -7.824 14.341 0.211 1.00 0.00 C ATOM 427 O VAL A 25 -9.026 14.266 0.371 1.00 0.00 O ATOM 428 CB VAL A 25 -5.801 14.327 1.702 1.00 0.00 C ATOM 429 CG1 VAL A 25 -6.459 15.196 2.776 1.00 0.00 C ATOM 430 CG2 VAL A 25 -4.750 13.424 2.351 1.00 0.00 C ATOM 0 H VAL A 25 -5.161 12.858 -0.110 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.472 12.918 1.745 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.323 14.966 0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.701 15.811 3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.208 15.840 2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.937 14.557 3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.991 14.039 2.835 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.228 12.785 3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.281 12.804 1.587 1.00 0.00 H new ATOM 440 N ALA A 26 -7.302 15.170 -0.657 1.00 0.00 N ATOM 441 CA ALA A 26 -8.186 16.050 -1.480 1.00 0.00 C ATOM 442 C ALA A 26 -9.420 15.267 -1.930 1.00 0.00 C ATOM 443 O ALA A 26 -10.543 15.703 -1.767 1.00 0.00 O ATOM 444 CB ALA A 26 -7.335 16.453 -2.684 1.00 0.00 C ATOM 0 H ALA A 26 -6.303 15.276 -0.831 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.541 16.920 -0.928 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.916 17.103 -3.339 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.447 16.984 -2.341 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.034 15.560 -3.232 1.00 0.00 H new ATOM 450 N GLU A 27 -9.215 14.102 -2.477 1.00 0.00 N ATOM 451 CA GLU A 27 -10.367 13.269 -2.920 1.00 0.00 C ATOM 452 C GLU A 27 -10.438 12.014 -2.049 1.00 0.00 C ATOM 453 O GLU A 27 -9.803 11.019 -2.333 1.00 0.00 O ATOM 454 CB GLU A 27 -10.069 12.905 -4.376 1.00 0.00 C ATOM 455 CG GLU A 27 -10.876 13.816 -5.303 1.00 0.00 C ATOM 456 CD GLU A 27 -10.669 13.383 -6.756 1.00 0.00 C ATOM 457 OE1 GLU A 27 -9.646 13.735 -7.319 1.00 0.00 O ATOM 458 OE2 GLU A 27 -11.538 12.706 -7.280 1.00 0.00 O ATOM 0 H GLU A 27 -8.296 13.689 -2.637 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.322 13.786 -2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.004 13.013 -4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.324 11.862 -4.561 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.934 13.768 -5.046 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.563 14.852 -5.174 1.00 0.00 H new ATOM 465 N GLN A 28 -11.191 12.072 -0.979 1.00 0.00 N ATOM 466 CA GLN A 28 -11.307 10.902 -0.055 1.00 0.00 C ATOM 467 C GLN A 28 -11.221 9.579 -0.819 1.00 0.00 C ATOM 468 O GLN A 28 -12.214 9.048 -1.274 1.00 0.00 O ATOM 469 CB GLN A 28 -12.682 11.051 0.597 1.00 0.00 C ATOM 470 CG GLN A 28 -12.516 11.232 2.108 1.00 0.00 C ATOM 471 CD GLN A 28 -11.710 12.501 2.386 1.00 0.00 C ATOM 472 OE1 GLN A 28 -11.725 13.428 1.600 1.00 0.00 O ATOM 473 NE2 GLN A 28 -11.002 12.585 3.479 1.00 0.00 N ATOM 0 H GLN A 28 -11.736 12.889 -0.703 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.498 10.886 0.675 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.206 11.908 0.173 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.291 10.171 0.391 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.493 11.297 2.586 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -12.010 10.366 2.535 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.989 11.808 4.139 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.462 13.428 3.673 1.00 0.00 H new ATOM 482 N THR A 29 -10.040 9.041 -0.959 1.00 0.00 N ATOM 483 CA THR A 29 -9.895 7.748 -1.690 1.00 0.00 C ATOM 484 C THR A 29 -8.738 6.935 -1.104 1.00 0.00 C ATOM 485 O THR A 29 -7.637 6.956 -1.619 1.00 0.00 O ATOM 486 CB THR A 29 -9.602 8.135 -3.140 1.00 0.00 C ATOM 487 OG1 THR A 29 -10.746 8.767 -3.699 1.00 0.00 O ATOM 488 CG2 THR A 29 -9.264 6.881 -3.947 1.00 0.00 C ATOM 0 H THR A 29 -9.172 9.438 -0.601 1.00 0.00 H new ATOM 0 HA THR A 29 -10.789 7.129 -1.610 1.00 0.00 H new ATOM 0 HB THR A 29 -8.756 8.821 -3.170 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.742 9.718 -3.464 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.055 7.158 -4.980 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.387 6.397 -3.517 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.108 6.192 -3.920 1.00 0.00 H new ATOM 496 N PRO A 30 -9.035 6.241 -0.038 1.00 0.00 N ATOM 497 CA PRO A 30 -8.015 5.403 0.632 1.00 0.00 C ATOM 498 C PRO A 30 -7.791 4.107 -0.153 1.00 0.00 C ATOM 499 O PRO A 30 -8.402 3.094 0.119 1.00 0.00 O ATOM 500 CB PRO A 30 -8.634 5.108 1.995 1.00 0.00 C ATOM 501 CG PRO A 30 -10.112 5.232 1.790 1.00 0.00 C ATOM 502 CD PRO A 30 -10.335 6.176 0.636 1.00 0.00 C ATOM 0 HA PRO A 30 -7.042 5.889 0.706 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.367 4.109 2.341 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.281 5.812 2.749 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.552 4.258 1.578 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.593 5.610 2.692 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.112 5.808 -0.034 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -10.653 7.159 0.983 1.00 0.00 H new ATOM 510 N SER A 31 -6.919 4.131 -1.124 1.00 0.00 N ATOM 511 CA SER A 31 -6.661 2.897 -1.922 1.00 0.00 C ATOM 512 C SER A 31 -5.540 2.085 -1.272 1.00 0.00 C ATOM 513 O SER A 31 -4.602 2.630 -0.725 1.00 0.00 O ATOM 514 CB SER A 31 -6.234 3.396 -3.301 1.00 0.00 C ATOM 515 OG SER A 31 -6.772 4.694 -3.519 1.00 0.00 O ATOM 0 H SER A 31 -6.375 4.949 -1.399 1.00 0.00 H new ATOM 0 HA SER A 31 -7.535 2.249 -1.981 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.147 3.424 -3.369 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.584 2.710 -4.073 1.00 0.00 H new ATOM 0 HG SER A 31 -6.498 5.017 -4.403 1.00 0.00 H new ATOM 521 N CYS A 32 -5.633 0.784 -1.316 1.00 0.00 N ATOM 522 CA CYS A 32 -4.573 -0.056 -0.689 1.00 0.00 C ATOM 523 C CYS A 32 -3.983 -1.030 -1.712 1.00 0.00 C ATOM 524 O CYS A 32 -4.695 -1.703 -2.430 1.00 0.00 O ATOM 525 CB CYS A 32 -5.287 -0.818 0.427 1.00 0.00 C ATOM 526 SG CYS A 32 -6.408 -2.040 -0.300 1.00 0.00 S ATOM 0 H CYS A 32 -6.394 0.268 -1.757 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.743 0.542 -0.313 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.558 -1.313 1.068 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.846 -0.125 1.056 1.00 0.00 H new ATOM 0 HG CYS A 32 -6.118 -2.201 -1.557 1.00 0.00 H new ATOM 531 N VAL A 33 -2.682 -1.113 -1.778 1.00 0.00 N ATOM 532 CA VAL A 33 -2.038 -2.047 -2.746 1.00 0.00 C ATOM 533 C VAL A 33 -1.074 -2.977 -2.006 1.00 0.00 C ATOM 534 O VAL A 33 -0.781 -2.784 -0.843 1.00 0.00 O ATOM 535 CB VAL A 33 -1.279 -1.146 -3.721 1.00 0.00 C ATOM 536 CG1 VAL A 33 -0.589 -2.007 -4.780 1.00 0.00 C ATOM 537 CG2 VAL A 33 -2.264 -0.192 -4.402 1.00 0.00 C ATOM 0 H VAL A 33 -2.036 -0.573 -1.202 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.761 -2.680 -3.261 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.530 -0.570 -3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.048 -1.365 -5.475 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.111 -2.688 -4.296 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.337 -2.582 -5.325 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.725 0.451 -5.098 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.012 -0.769 -4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.757 0.421 -3.648 1.00 0.00 H new ATOM 547 N CYS A 34 -0.581 -3.990 -2.666 1.00 0.00 N ATOM 548 CA CYS A 34 0.358 -4.930 -1.987 1.00 0.00 C ATOM 549 C CYS A 34 1.481 -5.345 -2.942 1.00 0.00 C ATOM 550 O CYS A 34 1.373 -5.196 -4.143 1.00 0.00 O ATOM 551 CB CYS A 34 -0.495 -6.143 -1.610 1.00 0.00 C ATOM 552 SG CYS A 34 -2.047 -5.590 -0.857 1.00 0.00 S ATOM 0 H CYS A 34 -0.786 -4.207 -3.641 1.00 0.00 H new ATOM 0 HA CYS A 34 0.832 -4.476 -1.117 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.703 -6.742 -2.496 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.050 -6.781 -0.915 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.447 -6.472 0.010 1.00 0.00 H new ATOM 557 N ASP A 35 2.558 -5.867 -2.417 1.00 0.00 N ATOM 558 CA ASP A 35 3.683 -6.293 -3.299 1.00 0.00 C ATOM 559 C ASP A 35 3.153 -7.157 -4.447 1.00 0.00 C ATOM 560 O ASP A 35 2.508 -8.164 -4.231 1.00 0.00 O ATOM 561 CB ASP A 35 4.607 -7.112 -2.396 1.00 0.00 C ATOM 562 CG ASP A 35 5.693 -6.203 -1.815 1.00 0.00 C ATOM 563 OD1 ASP A 35 5.783 -5.069 -2.252 1.00 0.00 O ATOM 564 OD2 ASP A 35 6.416 -6.659 -0.944 1.00 0.00 O ATOM 0 H ASP A 35 2.707 -6.016 -1.419 1.00 0.00 H new ATOM 0 HA ASP A 35 4.200 -5.445 -3.749 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.033 -7.570 -1.591 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.063 -7.923 -2.964 1.00 0.00 H new ATOM 569 N GLU A 36 3.417 -6.772 -5.664 1.00 0.00 N ATOM 570 CA GLU A 36 2.924 -7.573 -6.823 1.00 0.00 C ATOM 571 C GLU A 36 3.237 -9.058 -6.616 1.00 0.00 C ATOM 572 O GLU A 36 2.401 -9.913 -6.827 1.00 0.00 O ATOM 573 CB GLU A 36 3.683 -7.028 -8.032 1.00 0.00 C ATOM 574 CG GLU A 36 3.244 -7.777 -9.291 1.00 0.00 C ATOM 575 CD GLU A 36 2.029 -7.078 -9.901 1.00 0.00 C ATOM 576 OE1 GLU A 36 2.227 -6.185 -10.709 1.00 0.00 O ATOM 577 OE2 GLU A 36 0.920 -7.446 -9.551 1.00 0.00 O ATOM 0 H GLU A 36 3.952 -5.939 -5.908 1.00 0.00 H new ATOM 0 HA GLU A 36 1.844 -7.493 -6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.490 -5.961 -8.145 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.757 -7.144 -7.883 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.060 -7.807 -10.013 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.998 -8.810 -9.045 1.00 0.00 H new ATOM 584 N GLY A 37 4.436 -9.372 -6.206 1.00 0.00 N ATOM 585 CA GLY A 37 4.798 -10.801 -5.989 1.00 0.00 C ATOM 586 C GLY A 37 4.464 -11.205 -4.551 1.00 0.00 C ATOM 587 O GLY A 37 5.228 -11.883 -3.893 1.00 0.00 O ATOM 0 H GLY A 37 5.180 -8.701 -6.012 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.255 -11.434 -6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.860 -10.950 -6.182 1.00 0.00 H new ATOM 591 N TYR A 38 3.327 -10.795 -4.058 1.00 0.00 N ATOM 592 CA TYR A 38 2.953 -11.160 -2.662 1.00 0.00 C ATOM 593 C TYR A 38 1.708 -12.060 -2.664 1.00 0.00 C ATOM 594 O TYR A 38 1.099 -12.294 -3.689 1.00 0.00 O ATOM 595 CB TYR A 38 2.689 -9.817 -1.956 1.00 0.00 C ATOM 596 CG TYR A 38 1.213 -9.484 -1.968 1.00 0.00 C ATOM 597 CD1 TYR A 38 0.512 -9.441 -3.180 1.00 0.00 C ATOM 598 CD2 TYR A 38 0.546 -9.226 -0.765 1.00 0.00 C ATOM 599 CE1 TYR A 38 -0.855 -9.139 -3.187 1.00 0.00 C ATOM 600 CE2 TYR A 38 -0.822 -8.926 -0.773 1.00 0.00 C ATOM 601 CZ TYR A 38 -1.521 -8.881 -1.984 1.00 0.00 C ATOM 602 OH TYR A 38 -2.869 -8.585 -1.991 1.00 0.00 O ATOM 0 H TYR A 38 2.644 -10.226 -4.558 1.00 0.00 H new ATOM 0 HA TYR A 38 3.732 -11.726 -2.151 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.047 -9.865 -0.928 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.249 -9.024 -2.452 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.026 -9.641 -4.109 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.086 -9.258 0.170 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.396 -9.105 -4.121 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.337 -8.729 0.156 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.005 -7.673 -1.660 1.00 0.00 H new ATOM 612 N ILE A 39 1.331 -12.560 -1.520 1.00 0.00 N ATOM 613 CA ILE A 39 0.131 -13.443 -1.441 1.00 0.00 C ATOM 614 C ILE A 39 -0.532 -13.310 -0.067 1.00 0.00 C ATOM 615 O ILE A 39 0.125 -13.085 0.932 1.00 0.00 O ATOM 616 CB ILE A 39 0.668 -14.861 -1.640 1.00 0.00 C ATOM 617 CG1 ILE A 39 1.188 -15.012 -3.069 1.00 0.00 C ATOM 618 CG2 ILE A 39 -0.457 -15.870 -1.398 1.00 0.00 C ATOM 619 CD1 ILE A 39 2.681 -14.680 -3.109 1.00 0.00 C ATOM 0 H ILE A 39 1.804 -12.395 -0.632 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.622 -13.184 -2.185 1.00 0.00 H new ATOM 0 HB ILE A 39 1.480 -15.045 -0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.022 -16.030 -3.422 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.640 -14.349 -3.738 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.075 -16.881 -1.540 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.830 -15.762 -0.379 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.268 -15.686 -2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.051 -14.788 -4.129 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.835 -13.654 -2.774 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.223 -15.361 -2.453 1.00 0.00 H new ATOM 631 N GLY A 40 -1.829 -13.450 -0.007 1.00 0.00 N ATOM 632 CA GLY A 40 -2.531 -13.334 1.303 1.00 0.00 C ATOM 633 C GLY A 40 -3.471 -12.127 1.274 1.00 0.00 C ATOM 634 O GLY A 40 -3.249 -11.172 0.557 1.00 0.00 O ATOM 0 H GLY A 40 -2.432 -13.639 -0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.096 -14.244 1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.805 -13.223 2.108 1.00 0.00 H new ATOM 638 N ALA A 41 -4.519 -12.163 2.051 1.00 0.00 N ATOM 639 CA ALA A 41 -5.472 -11.016 2.068 1.00 0.00 C ATOM 640 C ALA A 41 -4.878 -9.854 2.870 1.00 0.00 C ATOM 641 O ALA A 41 -5.141 -8.700 2.596 1.00 0.00 O ATOM 642 CB ALA A 41 -6.729 -11.554 2.752 1.00 0.00 C ATOM 0 H ALA A 41 -4.757 -12.935 2.674 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.685 -10.638 1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.481 -10.766 2.803 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.123 -12.395 2.181 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.481 -11.885 3.760 1.00 0.00 H new ATOM 648 N ARG A 42 -4.079 -10.150 3.857 1.00 0.00 N ATOM 649 CA ARG A 42 -3.468 -9.062 4.673 1.00 0.00 C ATOM 650 C ARG A 42 -2.027 -8.810 4.220 1.00 0.00 C ATOM 651 O ARG A 42 -1.308 -8.028 4.811 1.00 0.00 O ATOM 652 CB ARG A 42 -3.496 -9.578 6.111 1.00 0.00 C ATOM 653 CG ARG A 42 -4.359 -8.649 6.968 1.00 0.00 C ATOM 654 CD ARG A 42 -4.518 -9.247 8.367 1.00 0.00 C ATOM 655 NE ARG A 42 -5.910 -9.774 8.401 1.00 0.00 N ATOM 656 CZ ARG A 42 -6.631 -9.646 9.483 1.00 0.00 C ATOM 657 NH1 ARG A 42 -6.089 -9.838 10.653 1.00 0.00 N ATOM 658 NH2 ARG A 42 -7.893 -9.325 9.392 1.00 0.00 N ATOM 0 H ARG A 42 -3.822 -11.097 4.134 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.004 -8.118 4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.896 -10.591 6.138 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.484 -9.625 6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.898 -7.663 7.032 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.337 -8.514 6.505 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.791 -10.040 8.543 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.362 -8.494 9.139 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.301 -10.235 7.579 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.103 -10.088 10.723 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.651 -9.738 11.498 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.316 -9.174 8.476 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.456 -9.225 10.237 1.00 0.00 H new ATOM 672 N CYS A 43 -1.602 -9.465 3.174 1.00 0.00 N ATOM 673 CA CYS A 43 -0.209 -9.265 2.677 1.00 0.00 C ATOM 674 C CYS A 43 0.791 -9.847 3.677 1.00 0.00 C ATOM 675 O CYS A 43 1.554 -9.128 4.288 1.00 0.00 O ATOM 676 CB CYS A 43 -0.019 -7.745 2.568 1.00 0.00 C ATOM 677 SG CYS A 43 -1.524 -6.965 1.927 1.00 0.00 S ATOM 0 H CYS A 43 -2.160 -10.132 2.640 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.046 -9.761 1.720 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.224 -7.331 3.547 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.822 -7.523 1.910 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.231 -6.250 0.882 1.00 0.00 H new ATOM 682 N GLU A 44 0.798 -11.142 3.855 1.00 0.00 N ATOM 683 CA GLU A 44 1.754 -11.748 4.828 1.00 0.00 C ATOM 684 C GLU A 44 2.593 -12.847 4.167 1.00 0.00 C ATOM 685 O GLU A 44 3.727 -13.078 4.539 1.00 0.00 O ATOM 686 CB GLU A 44 0.872 -12.342 5.927 1.00 0.00 C ATOM 687 CG GLU A 44 1.727 -12.654 7.155 1.00 0.00 C ATOM 688 CD GLU A 44 2.070 -14.145 7.174 1.00 0.00 C ATOM 689 OE1 GLU A 44 2.683 -14.603 6.224 1.00 0.00 O ATOM 690 OE2 GLU A 44 1.714 -14.804 8.138 1.00 0.00 O ATOM 0 H GLU A 44 0.188 -11.802 3.373 1.00 0.00 H new ATOM 0 HA GLU A 44 2.459 -11.011 5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.080 -11.641 6.191 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.387 -13.250 5.568 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.641 -12.060 7.135 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.190 -12.382 8.064 1.00 0.00 H new ATOM 697 N ARG A 45 2.052 -13.532 3.197 1.00 0.00 N ATOM 698 CA ARG A 45 2.834 -14.617 2.533 1.00 0.00 C ATOM 699 C ARG A 45 3.502 -14.094 1.260 1.00 0.00 C ATOM 700 O ARG A 45 2.855 -13.864 0.261 1.00 0.00 O ATOM 701 CB ARG A 45 1.804 -15.696 2.194 1.00 0.00 C ATOM 702 CG ARG A 45 1.854 -16.799 3.251 1.00 0.00 C ATOM 703 CD ARG A 45 0.465 -17.419 3.408 1.00 0.00 C ATOM 704 NE ARG A 45 0.717 -18.857 3.702 1.00 0.00 N ATOM 705 CZ ARG A 45 -0.286 -19.666 3.904 1.00 0.00 C ATOM 706 NH1 ARG A 45 -1.280 -19.296 4.665 1.00 0.00 N ATOM 707 NH2 ARG A 45 -0.295 -20.845 3.346 1.00 0.00 N ATOM 0 H ARG A 45 1.109 -13.390 2.836 1.00 0.00 H new ATOM 0 HA ARG A 45 3.631 -14.998 3.172 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.805 -15.261 2.154 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.009 -16.113 1.208 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.574 -17.564 2.960 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.191 -16.390 4.203 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.091 -16.942 4.215 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.126 -17.299 2.500 1.00 0.00 H new ATOM 0 HE ARG A 45 1.673 -19.209 3.745 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.272 -18.374 5.102 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.064 -19.929 4.823 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.482 -21.134 2.752 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.079 -21.478 3.504 1.00 0.00 H new ATOM 721 N VAL A 46 4.794 -13.908 1.285 1.00 0.00 N ATOM 722 CA VAL A 46 5.496 -13.398 0.071 1.00 0.00 C ATOM 723 C VAL A 46 5.936 -14.562 -0.821 1.00 0.00 C ATOM 724 O VAL A 46 6.132 -15.670 -0.362 1.00 0.00 O ATOM 725 CB VAL A 46 6.717 -12.646 0.603 1.00 0.00 C ATOM 726 CG1 VAL A 46 7.674 -13.631 1.274 1.00 0.00 C ATOM 727 CG2 VAL A 46 7.433 -11.953 -0.557 1.00 0.00 C ATOM 0 H VAL A 46 5.393 -14.086 2.091 1.00 0.00 H new ATOM 0 HA VAL A 46 4.853 -12.760 -0.534 1.00 0.00 H new ATOM 0 HB VAL A 46 6.394 -11.901 1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.543 -13.093 1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.165 -14.126 2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.997 -14.377 0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.303 -11.417 -0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.754 -12.699 -1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.753 -11.249 -1.036 1.00 0.00 H new ATOM 737 N ASP A 47 6.090 -14.317 -2.095 1.00 0.00 N ATOM 738 CA ASP A 47 6.515 -15.408 -3.019 1.00 0.00 C ATOM 739 C ASP A 47 8.042 -15.440 -3.134 1.00 0.00 C ATOM 740 O ASP A 47 8.593 -16.004 -4.060 1.00 0.00 O ATOM 741 CB ASP A 47 5.883 -15.053 -4.365 1.00 0.00 C ATOM 742 CG ASP A 47 5.794 -16.309 -5.236 1.00 0.00 C ATOM 743 OD1 ASP A 47 5.240 -17.290 -4.770 1.00 0.00 O ATOM 744 OD2 ASP A 47 6.282 -16.265 -6.354 1.00 0.00 O ATOM 0 H ASP A 47 5.940 -13.409 -2.535 1.00 0.00 H new ATOM 0 HA ASP A 47 6.203 -16.392 -2.668 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.889 -14.633 -4.212 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.478 -14.290 -4.868 1.00 0.00 H new ATOM 749 N LEU A 48 8.730 -14.841 -2.201 1.00 0.00 N ATOM 750 CA LEU A 48 10.220 -14.838 -2.258 1.00 0.00 C ATOM 751 C LEU A 48 10.803 -14.601 -0.863 1.00 0.00 C ATOM 752 O LEU A 48 11.445 -13.602 -0.609 1.00 0.00 O ATOM 753 CB LEU A 48 10.580 -13.682 -3.191 1.00 0.00 C ATOM 754 CG LEU A 48 11.394 -14.213 -4.373 1.00 0.00 C ATOM 755 CD1 LEU A 48 11.268 -13.250 -5.555 1.00 0.00 C ATOM 756 CD2 LEU A 48 12.865 -14.331 -3.966 1.00 0.00 C ATOM 0 H LEU A 48 8.325 -14.354 -1.402 1.00 0.00 H new ATOM 0 HA LEU A 48 10.620 -15.788 -2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.673 -13.195 -3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.153 -12.929 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 48 11.016 -15.194 -4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.848 -13.629 -6.396 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.221 -13.165 -5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.645 -12.269 -5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.446 -14.709 -4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.242 -13.350 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.956 -15.018 -3.124 1.00 0.00 H new ATOM 768 N PHE A 49 10.583 -15.513 0.045 1.00 0.00 N ATOM 769 CA PHE A 49 11.125 -15.339 1.423 1.00 0.00 C ATOM 770 C PHE A 49 12.546 -15.901 1.508 1.00 0.00 C ATOM 771 O PHE A 49 13.469 -15.222 1.911 1.00 0.00 O ATOM 772 CB PHE A 49 10.179 -16.134 2.323 1.00 0.00 C ATOM 773 CG PHE A 49 9.549 -15.208 3.335 1.00 0.00 C ATOM 774 CD1 PHE A 49 10.339 -14.273 4.014 1.00 0.00 C ATOM 775 CD2 PHE A 49 8.175 -15.285 3.594 1.00 0.00 C ATOM 776 CE1 PHE A 49 9.754 -13.414 4.952 1.00 0.00 C ATOM 777 CE2 PHE A 49 7.591 -14.426 4.533 1.00 0.00 C ATOM 778 CZ PHE A 49 8.381 -13.490 5.212 1.00 0.00 C ATOM 0 H PHE A 49 10.052 -16.370 -0.108 1.00 0.00 H new ATOM 0 HA PHE A 49 11.181 -14.290 1.715 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.406 -16.613 1.722 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.726 -16.928 2.832 1.00 0.00 H new ATOM 0 HD1 PHE A 49 11.399 -14.214 3.814 1.00 0.00 H new ATOM 0 HD2 PHE A 49 7.566 -16.007 3.070 1.00 0.00 H new ATOM 0 HE1 PHE A 49 10.363 -12.692 5.476 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.531 -14.485 4.734 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.931 -12.827 5.936 1.00 0.00 H new ATOM 788 N TYR A 50 12.728 -17.137 1.131 1.00 0.00 N ATOM 789 CA TYR A 50 14.090 -17.741 1.189 1.00 0.00 C ATOM 790 C TYR A 50 14.911 -17.315 -0.030 1.00 0.00 C ATOM 791 O TYR A 50 14.381 -17.375 -1.127 1.00 0.00 O ATOM 792 CB TYR A 50 13.853 -19.251 1.177 1.00 0.00 C ATOM 793 CG TYR A 50 14.996 -19.945 1.879 1.00 0.00 C ATOM 794 CD1 TYR A 50 15.110 -19.871 3.273 1.00 0.00 C ATOM 795 CD2 TYR A 50 15.943 -20.661 1.137 1.00 0.00 C ATOM 796 CE1 TYR A 50 16.171 -20.514 3.924 1.00 0.00 C ATOM 797 CE2 TYR A 50 17.003 -21.304 1.788 1.00 0.00 C ATOM 798 CZ TYR A 50 17.117 -21.230 3.182 1.00 0.00 C ATOM 799 OH TYR A 50 18.162 -21.863 3.823 1.00 0.00 O ATOM 800 OXT TYR A 50 16.056 -16.935 0.155 1.00 0.00 O ATOM 0 H TYR A 50 11.993 -17.755 0.786 1.00 0.00 H new ATOM 0 HA TYR A 50 14.646 -17.423 2.071 1.00 0.00 H new ATOM 0 HB2 TYR A 50 12.911 -19.486 1.673 1.00 0.00 H new ATOM 0 HB3 TYR A 50 13.771 -19.609 0.151 1.00 0.00 H new ATOM 0 HD1 TYR A 50 14.380 -19.318 3.846 1.00 0.00 H new ATOM 0 HD2 TYR A 50 15.856 -20.717 0.062 1.00 0.00 H new ATOM 0 HE1 TYR A 50 16.259 -20.457 4.999 1.00 0.00 H new ATOM 0 HE2 TYR A 50 17.733 -21.857 1.215 1.00 0.00 H new ATOM 0 HH TYR A 50 18.726 -22.315 3.161 1.00 0.00 H new TER 810 TYR A 50