USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 602 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 : amide:sc= 0 X(o=-0.24,f=-0.42) USER MOD Set 1.2: A 30 MET CE :methyl -163:sc= -0.245 (180deg=-0.583) USER MOD Set 2.1: A 16 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot -119:sc= -6.69! USER MOD Single : A 15 CYS SG : rot 140:sc= -0.977 USER MOD Single : A 32 GLN : amide:sc= -0.0405 K(o=-0.041,f=-2.1) USER MOD Single : A 34 CYS SG : rot 40:sc= -6.3! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -147:sc= -0.32 (180deg=-1.52!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.276 X(o=-0.28,f=-0.6) USER MOD Single : A 58 GLN : amide:sc= -0.252 K(o=-0.25,f=-0.98) USER MOD Single : A 73 GLN : amide:sc= -1.12 K(o=-1.1,f=-2!) USER MOD Single : A 75 CYS SG : rot 70:sc= -1.42 USER MOD Single : A 81 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 88 SER OG : rot 87:sc= 0.268 USER MOD Single : A 92 TYR OH : rot 47:sc= 1.2 USER MOD Single : A 93 GLN : amide:sc= -0.0329 K(o=-0.033,f=-0.92) USER MOD Single : A 94 CYS SG : rot 63:sc= 0.0604 USER MOD Single : A 95 GLN : amide:sc= -2.85 K(o=-2.8,f=-13!) USER MOD Single : A 99 THR OG1 : rot 83:sc= 1.58 USER MOD Single : A 100 TYR OH : rot -156:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 6 -11.562 -16.981 -5.991 1.00 0.00 N ATOM 75 CA LYS A 6 -10.839 -15.732 -5.786 1.00 0.00 C ATOM 76 C LYS A 6 -9.343 -15.936 -6.009 1.00 0.00 C ATOM 77 O LYS A 6 -8.775 -16.941 -5.583 1.00 0.00 O ATOM 78 CB LYS A 6 -11.094 -15.190 -4.375 1.00 0.00 C ATOM 79 CG LYS A 6 -12.538 -15.319 -3.916 1.00 0.00 C ATOM 80 CD LYS A 6 -13.333 -14.060 -4.224 1.00 0.00 C ATOM 81 CE LYS A 6 -14.330 -13.747 -3.121 1.00 0.00 C ATOM 82 NZ LYS A 6 -15.616 -14.471 -3.311 1.00 0.00 N ATOM 0 HA LYS A 6 -11.203 -15.004 -6.511 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.451 -15.719 -3.672 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.805 -14.139 -4.342 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.003 -16.174 -4.408 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.564 -15.515 -2.844 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.651 -13.219 -4.349 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.862 -14.184 -5.169 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.901 -14.018 -2.156 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.518 -12.674 -3.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -16.268 -14.230 -2.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -16.039 -14.194 -4.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -15.441 -15.496 -3.309 1.00 0.00 H new ATOM 96 N ILE A 7 -8.712 -14.980 -6.684 1.00 0.00 N ATOM 97 CA ILE A 7 -7.283 -15.061 -6.971 1.00 0.00 C ATOM 98 C ILE A 7 -6.441 -14.641 -5.771 1.00 0.00 C ATOM 99 O ILE A 7 -5.261 -14.978 -5.681 1.00 0.00 O ATOM 100 CB ILE A 7 -6.902 -14.181 -8.175 1.00 0.00 C ATOM 101 CG1 ILE A 7 -7.451 -12.763 -7.997 1.00 0.00 C ATOM 102 CG2 ILE A 7 -7.416 -14.800 -9.465 1.00 0.00 C ATOM 103 CD1 ILE A 7 -6.388 -11.690 -8.075 1.00 0.00 C ATOM 0 H ILE A 7 -9.167 -14.140 -7.042 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.076 -16.105 -7.204 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.815 -14.120 -8.233 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.203 -12.574 -8.763 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.954 -12.695 -7.033 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.139 -14.167 -10.308 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.976 -15.789 -9.594 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -8.501 -14.889 -9.419 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.848 -10.711 -7.940 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.648 -11.854 -7.292 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.901 -11.731 -9.049 1.00 0.00 H new ATOM 115 N PHE A 8 -7.052 -13.901 -4.854 1.00 0.00 N ATOM 116 CA PHE A 8 -6.357 -13.433 -3.662 1.00 0.00 C ATOM 117 C PHE A 8 -6.570 -14.403 -2.504 1.00 0.00 C ATOM 118 O PHE A 8 -5.616 -14.802 -1.835 1.00 0.00 O ATOM 119 CB PHE A 8 -6.849 -12.032 -3.289 1.00 0.00 C ATOM 120 CG PHE A 8 -6.410 -10.950 -4.246 1.00 0.00 C ATOM 121 CD1 PHE A 8 -5.328 -11.138 -5.095 1.00 0.00 C ATOM 122 CD2 PHE A 8 -7.083 -9.738 -4.291 1.00 0.00 C ATOM 123 CE1 PHE A 8 -4.930 -10.143 -5.967 1.00 0.00 C ATOM 124 CE2 PHE A 8 -6.688 -8.740 -5.161 1.00 0.00 C ATOM 125 CZ PHE A 8 -5.611 -8.943 -6.000 1.00 0.00 C ATOM 0 H PHE A 8 -8.028 -13.612 -4.913 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.289 -13.385 -3.872 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.938 -12.041 -3.243 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.489 -11.786 -2.290 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.790 -12.074 -5.074 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.927 -9.572 -3.638 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.087 -10.304 -6.622 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.222 -7.801 -5.185 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.302 -8.164 -6.681 1.00 0.00 H new ATOM 135 N ARG A 9 -7.827 -14.789 -2.281 1.00 0.00 N ATOM 136 CA ARG A 9 -8.179 -15.726 -1.212 1.00 0.00 C ATOM 137 C ARG A 9 -7.368 -15.464 0.052 1.00 0.00 C ATOM 138 O ARG A 9 -6.315 -16.067 0.263 1.00 0.00 O ATOM 139 CB ARG A 9 -7.961 -17.167 -1.681 1.00 0.00 C ATOM 140 CG ARG A 9 -8.392 -18.209 -0.662 1.00 0.00 C ATOM 141 CD ARG A 9 -9.868 -18.546 -0.801 1.00 0.00 C ATOM 142 NE ARG A 9 -10.465 -18.926 0.478 1.00 0.00 N ATOM 143 CZ ARG A 9 -10.196 -20.066 1.111 1.00 0.00 C ATOM 144 NH1 ARG A 9 -9.342 -20.938 0.590 1.00 0.00 N ATOM 145 NH2 ARG A 9 -10.783 -20.335 2.269 1.00 0.00 N ATOM 0 H ARG A 9 -8.623 -14.465 -2.830 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.232 -15.577 -0.973 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.513 -17.326 -2.607 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.905 -17.310 -1.910 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.797 -19.113 -0.791 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.195 -17.839 0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.400 -17.686 -1.208 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.988 -19.362 -1.514 1.00 0.00 H new ATOM 0 HE ARG A 9 -11.126 -18.281 0.911 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.887 -20.737 -0.301 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.140 -21.809 1.080 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.440 -19.669 2.674 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.577 -21.208 2.754 1.00 0.00 H new ATOM 159 N GLY A 10 -7.860 -14.557 0.886 1.00 0.00 N ATOM 160 CA GLY A 10 -7.161 -14.226 2.114 1.00 0.00 C ATOM 161 C GLY A 10 -6.052 -13.227 1.876 1.00 0.00 C ATOM 162 O GLY A 10 -4.870 -13.557 1.974 1.00 0.00 O ATOM 0 H GLY A 10 -8.729 -14.045 0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.868 -13.819 2.837 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.745 -15.134 2.552 1.00 0.00 H new ATOM 166 N LEU A 11 -6.438 -12.004 1.547 1.00 0.00 N ATOM 167 CA LEU A 11 -5.479 -10.944 1.273 1.00 0.00 C ATOM 168 C LEU A 11 -5.915 -9.633 1.923 1.00 0.00 C ATOM 169 O LEU A 11 -7.085 -9.459 2.264 1.00 0.00 O ATOM 170 CB LEU A 11 -5.336 -10.763 -0.237 1.00 0.00 C ATOM 171 CG LEU A 11 -3.935 -10.403 -0.725 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.712 -10.927 -2.136 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.732 -8.898 -0.674 1.00 0.00 C ATOM 0 H LEU A 11 -7.414 -11.720 1.463 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.515 -11.226 1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.647 -11.686 -0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.026 -9.983 -0.559 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.204 -10.873 -0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.708 -10.662 -2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.822 -12.011 -2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.446 -10.484 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.729 -8.654 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.468 -8.410 -1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.853 -8.549 0.352 1.00 0.00 H new ATOM 185 N GLU A 12 -4.969 -8.716 2.091 1.00 0.00 N ATOM 186 CA GLU A 12 -5.257 -7.421 2.699 1.00 0.00 C ATOM 187 C GLU A 12 -4.552 -6.300 1.943 1.00 0.00 C ATOM 188 O GLU A 12 -3.327 -6.195 1.970 1.00 0.00 O ATOM 189 CB GLU A 12 -4.824 -7.415 4.167 1.00 0.00 C ATOM 190 CG GLU A 12 -5.949 -7.743 5.134 1.00 0.00 C ATOM 191 CD GLU A 12 -5.955 -6.840 6.351 1.00 0.00 C ATOM 192 OE1 GLU A 12 -5.031 -6.956 7.183 1.00 0.00 O ATOM 193 OE2 GLU A 12 -6.884 -6.013 6.472 1.00 0.00 O ATOM 0 H GLU A 12 -3.996 -8.845 1.815 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.332 -7.252 2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.018 -8.136 4.302 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.419 -6.434 4.414 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.904 -7.655 4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.855 -8.780 5.456 1.00 0.00 H new ATOM 200 N ILE A 13 -5.333 -5.467 1.263 1.00 0.00 N ATOM 201 CA ILE A 13 -4.778 -4.357 0.495 1.00 0.00 C ATOM 202 C ILE A 13 -5.348 -3.021 0.958 1.00 0.00 C ATOM 203 O ILE A 13 -6.561 -2.808 0.935 1.00 0.00 O ATOM 204 CB ILE A 13 -5.051 -4.527 -1.013 1.00 0.00 C ATOM 205 CG1 ILE A 13 -4.587 -5.907 -1.485 1.00 0.00 C ATOM 206 CG2 ILE A 13 -4.360 -3.430 -1.809 1.00 0.00 C ATOM 207 CD1 ILE A 13 -5.666 -6.694 -2.195 1.00 0.00 C ATOM 0 H ILE A 13 -6.350 -5.539 1.228 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.702 -4.363 0.666 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.125 -4.446 -1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.736 -5.786 -2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.237 -6.478 -0.625 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.564 -3.567 -2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.735 -2.458 -1.490 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.285 -3.478 -1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.268 -7.661 -2.502 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.509 -6.846 -1.521 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.999 -6.143 -3.074 1.00 0.00 H new ATOM 219 N CYS A 14 -4.463 -2.123 1.377 1.00 0.00 N ATOM 220 CA CYS A 14 -4.872 -0.805 1.844 1.00 0.00 C ATOM 221 C CYS A 14 -4.506 0.273 0.828 1.00 0.00 C ATOM 222 O CYS A 14 -3.379 0.321 0.337 1.00 0.00 O ATOM 223 CB CYS A 14 -4.223 -0.499 3.194 1.00 0.00 C ATOM 224 SG CYS A 14 -2.439 -0.203 3.115 1.00 0.00 S ATOM 0 H CYS A 14 -3.456 -2.285 1.402 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.956 -0.807 1.963 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.706 0.378 3.625 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.411 -1.332 3.871 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.819 -1.092 3.833 1.00 0.00 H new ATOM 230 N CYS A 15 -5.467 1.140 0.522 1.00 0.00 N ATOM 231 CA CYS A 15 -5.244 2.220 -0.431 1.00 0.00 C ATOM 232 C CYS A 15 -4.860 3.504 0.296 1.00 0.00 C ATOM 233 O CYS A 15 -5.714 4.194 0.852 1.00 0.00 O ATOM 234 CB CYS A 15 -6.497 2.451 -1.277 1.00 0.00 C ATOM 235 SG CYS A 15 -7.255 0.935 -1.904 1.00 0.00 S ATOM 0 H CYS A 15 -6.406 1.115 0.920 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.424 1.933 -1.089 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -7.231 2.991 -0.679 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -6.240 3.091 -2.121 1.00 0.00 H new ATOM 0 HG CYS A 15 -8.549 1.033 -1.828 1.00 0.00 H new ATOM 241 N TYR A 16 -3.569 3.815 0.292 1.00 0.00 N ATOM 242 CA TYR A 16 -3.071 5.013 0.958 1.00 0.00 C ATOM 243 C TYR A 16 -2.976 6.184 -0.016 1.00 0.00 C ATOM 244 O TYR A 16 -2.047 6.260 -0.820 1.00 0.00 O ATOM 245 CB TYR A 16 -1.700 4.740 1.581 1.00 0.00 C ATOM 246 CG TYR A 16 -1.514 5.373 2.942 1.00 0.00 C ATOM 247 CD1 TYR A 16 -2.420 5.135 3.969 1.00 0.00 C ATOM 248 CD2 TYR A 16 -0.432 6.205 3.201 1.00 0.00 C ATOM 249 CE1 TYR A 16 -2.253 5.711 5.214 1.00 0.00 C ATOM 250 CE2 TYR A 16 -0.258 6.783 4.444 1.00 0.00 C ATOM 251 CZ TYR A 16 -1.171 6.533 5.447 1.00 0.00 C ATOM 252 OH TYR A 16 -1.001 7.107 6.686 1.00 0.00 O ATOM 0 H TYR A 16 -2.849 3.255 -0.164 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.777 5.279 1.745 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.559 3.663 1.669 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.925 5.110 0.909 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.268 4.490 3.791 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.285 6.403 2.418 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.967 5.518 6.001 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.589 7.427 4.629 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.190 7.656 6.683 1.00 0.00 H new ATOM 262 N GLY A 17 -3.940 7.096 0.065 1.00 0.00 N ATOM 263 CA GLY A 17 -3.943 8.252 -0.810 1.00 0.00 C ATOM 264 C GLY A 17 -5.163 8.303 -1.714 1.00 0.00 C ATOM 265 O GLY A 17 -5.642 7.264 -2.170 1.00 0.00 O ATOM 0 H GLY A 17 -4.719 7.054 0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.906 9.159 -0.206 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.042 8.240 -1.423 1.00 0.00 H new ATOM 269 N PRO A 18 -5.693 9.507 -1.995 1.00 0.00 N ATOM 270 CA PRO A 18 -6.867 9.677 -2.861 1.00 0.00 C ATOM 271 C PRO A 18 -6.610 9.210 -4.294 1.00 0.00 C ATOM 272 O PRO A 18 -7.544 9.056 -5.080 1.00 0.00 O ATOM 273 CB PRO A 18 -7.127 11.191 -2.841 1.00 0.00 C ATOM 274 CG PRO A 18 -6.371 11.708 -1.665 1.00 0.00 C ATOM 275 CD PRO A 18 -5.192 10.796 -1.494 1.00 0.00 C ATOM 0 HA PRO A 18 -7.709 9.082 -2.508 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.786 11.660 -3.764 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.192 11.405 -2.749 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.048 12.736 -1.831 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.995 11.710 -0.771 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.329 11.142 -2.063 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.881 10.730 -0.451 1.00 0.00 H new ATOM 283 N PHE A 19 -5.338 8.991 -4.626 1.00 0.00 N ATOM 284 CA PHE A 19 -4.950 8.545 -5.962 1.00 0.00 C ATOM 285 C PHE A 19 -5.206 9.631 -7.000 1.00 0.00 C ATOM 286 O PHE A 19 -4.279 10.301 -7.454 1.00 0.00 O ATOM 287 CB PHE A 19 -5.696 7.260 -6.347 1.00 0.00 C ATOM 288 CG PHE A 19 -5.115 6.014 -5.733 1.00 0.00 C ATOM 289 CD1 PHE A 19 -4.499 6.054 -4.491 1.00 0.00 C ATOM 290 CD2 PHE A 19 -5.192 4.798 -6.398 1.00 0.00 C ATOM 291 CE1 PHE A 19 -3.970 4.910 -3.925 1.00 0.00 C ATOM 292 CE2 PHE A 19 -4.664 3.651 -5.834 1.00 0.00 C ATOM 293 CZ PHE A 19 -4.054 3.708 -4.597 1.00 0.00 C ATOM 0 H PHE A 19 -4.556 9.116 -3.984 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.881 8.335 -5.942 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.739 7.351 -6.043 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.688 7.157 -7.432 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.432 6.992 -3.959 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.669 4.747 -7.366 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.491 4.957 -2.958 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.729 2.711 -6.361 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.643 2.812 -4.156 1.00 0.00 H new ATOM 376 N ASP A 25 -12.845 3.587 -2.415 1.00 0.00 N ATOM 377 CA ASP A 25 -13.890 2.590 -2.221 1.00 0.00 C ATOM 378 C ASP A 25 -14.032 1.717 -3.459 1.00 0.00 C ATOM 379 O ASP A 25 -14.447 0.561 -3.376 1.00 0.00 O ATOM 380 CB ASP A 25 -15.223 3.270 -1.897 1.00 0.00 C ATOM 381 CG ASP A 25 -15.639 3.067 -0.454 1.00 0.00 C ATOM 382 OD1 ASP A 25 -15.979 1.921 -0.089 1.00 0.00 O ATOM 383 OD2 ASP A 25 -15.624 4.052 0.313 1.00 0.00 O ATOM 0 HA ASP A 25 -13.608 1.956 -1.380 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -15.143 4.337 -2.102 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -15.998 2.876 -2.555 1.00 0.00 H new ATOM 388 N GLN A 26 -13.679 2.279 -4.605 1.00 0.00 N ATOM 389 CA GLN A 26 -13.758 1.559 -5.864 1.00 0.00 C ATOM 390 C GLN A 26 -12.584 0.598 -6.001 1.00 0.00 C ATOM 391 O GLN A 26 -12.705 -0.465 -6.609 1.00 0.00 O ATOM 392 CB GLN A 26 -13.774 2.548 -7.028 1.00 0.00 C ATOM 393 CG GLN A 26 -14.759 2.180 -8.124 1.00 0.00 C ATOM 394 CD GLN A 26 -14.513 2.944 -9.410 1.00 0.00 C ATOM 395 OE1 GLN A 26 -13.602 2.621 -10.173 1.00 0.00 O ATOM 396 NE2 GLN A 26 -15.326 3.964 -9.658 1.00 0.00 N ATOM 0 H GLN A 26 -13.334 3.235 -4.688 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.681 0.979 -5.881 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -14.020 3.540 -6.648 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -12.773 2.609 -7.456 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -14.692 1.110 -8.323 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.773 2.377 -7.777 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -16.068 4.197 -8.998 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -15.209 4.515 -10.508 1.00 0.00 H new ATOM 405 N LEU A 27 -11.451 0.976 -5.421 1.00 0.00 N ATOM 406 CA LEU A 27 -10.256 0.147 -5.466 1.00 0.00 C ATOM 407 C LEU A 27 -10.398 -1.038 -4.521 1.00 0.00 C ATOM 408 O LEU A 27 -10.096 -2.174 -4.886 1.00 0.00 O ATOM 409 CB LEU A 27 -9.019 0.969 -5.091 1.00 0.00 C ATOM 410 CG LEU A 27 -7.724 0.596 -5.823 1.00 0.00 C ATOM 411 CD1 LEU A 27 -7.587 -0.913 -5.959 1.00 0.00 C ATOM 412 CD2 LEU A 27 -7.674 1.261 -7.189 1.00 0.00 C ATOM 0 H LEU A 27 -11.336 1.853 -4.913 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.135 -0.225 -6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.233 2.021 -5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.850 0.868 -4.019 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.885 0.958 -5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.660 -1.149 -6.482 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.571 -1.368 -4.968 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.432 -1.306 -6.524 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.748 0.985 -7.694 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.525 0.932 -7.785 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.713 2.344 -7.068 1.00 0.00 H new ATOM 424 N GLU A 28 -10.864 -0.769 -3.304 1.00 0.00 N ATOM 425 CA GLU A 28 -11.047 -1.825 -2.320 1.00 0.00 C ATOM 426 C GLU A 28 -12.086 -2.831 -2.797 1.00 0.00 C ATOM 427 O GLU A 28 -12.037 -4.005 -2.434 1.00 0.00 O ATOM 428 CB GLU A 28 -11.449 -1.247 -0.964 1.00 0.00 C ATOM 429 CG GLU A 28 -12.580 -0.236 -1.037 1.00 0.00 C ATOM 430 CD GLU A 28 -13.861 -0.750 -0.408 1.00 0.00 C ATOM 431 OE1 GLU A 28 -13.876 -0.961 0.823 1.00 0.00 O ATOM 432 OE2 GLU A 28 -14.851 -0.940 -1.147 1.00 0.00 O ATOM 0 H GLU A 28 -11.119 0.164 -2.980 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.094 -2.341 -2.201 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.746 -2.063 -0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.579 -0.772 -0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.275 0.682 -0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.768 0.019 -2.080 1.00 0.00 H new ATOM 439 N TRP A 29 -13.019 -2.372 -3.625 1.00 0.00 N ATOM 440 CA TRP A 29 -14.049 -3.252 -4.160 1.00 0.00 C ATOM 441 C TRP A 29 -13.418 -4.277 -5.090 1.00 0.00 C ATOM 442 O TRP A 29 -13.627 -5.482 -4.943 1.00 0.00 O ATOM 443 CB TRP A 29 -15.108 -2.434 -4.908 1.00 0.00 C ATOM 444 CG TRP A 29 -15.915 -3.240 -5.881 1.00 0.00 C ATOM 445 CD1 TRP A 29 -16.785 -4.244 -5.582 1.00 0.00 C ATOM 446 CD2 TRP A 29 -15.919 -3.115 -7.308 1.00 0.00 C ATOM 447 NE1 TRP A 29 -17.339 -4.749 -6.733 1.00 0.00 N ATOM 448 CE2 TRP A 29 -16.823 -4.073 -7.807 1.00 0.00 C ATOM 449 CE3 TRP A 29 -15.249 -2.286 -8.212 1.00 0.00 C ATOM 450 CZ2 TRP A 29 -17.073 -4.223 -9.168 1.00 0.00 C ATOM 451 CZ3 TRP A 29 -15.498 -2.436 -9.564 1.00 0.00 C ATOM 452 CH2 TRP A 29 -16.404 -3.397 -10.031 1.00 0.00 C ATOM 0 H TRP A 29 -13.082 -1.403 -3.938 1.00 0.00 H new ATOM 0 HA TRP A 29 -14.535 -3.774 -3.336 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -15.781 -1.977 -4.182 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -14.616 -1.621 -5.443 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -17.007 -4.593 -4.584 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -18.023 -5.504 -6.780 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -14.549 -1.542 -7.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -17.770 -4.964 -9.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -14.985 -1.802 -10.272 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -16.578 -3.488 -11.093 1.00 0.00 H new ATOM 463 N MET A 30 -12.640 -3.785 -6.044 1.00 0.00 N ATOM 464 CA MET A 30 -11.964 -4.648 -7.004 1.00 0.00 C ATOM 465 C MET A 30 -11.147 -5.717 -6.285 1.00 0.00 C ATOM 466 O MET A 30 -11.270 -6.906 -6.580 1.00 0.00 O ATOM 467 CB MET A 30 -11.060 -3.820 -7.919 1.00 0.00 C ATOM 468 CG MET A 30 -11.810 -2.785 -8.742 1.00 0.00 C ATOM 469 SD MET A 30 -10.801 -2.084 -10.062 1.00 0.00 S ATOM 470 CE MET A 30 -10.807 -0.351 -9.608 1.00 0.00 C ATOM 0 H MET A 30 -12.461 -2.789 -6.174 1.00 0.00 H new ATOM 0 HA MET A 30 -12.721 -5.143 -7.612 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.309 -3.314 -7.312 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.527 -4.491 -8.593 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.699 -3.245 -9.174 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.152 -1.984 -8.087 1.00 0.00 H new ATOM 0 HE1 MET A 30 -10.495 0.250 -10.462 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.812 -0.057 -9.306 1.00 0.00 H new ATOM 0 HE3 MET A 30 -10.118 -0.190 -8.779 1.00 0.00 H new ATOM 480 N VAL A 31 -10.322 -5.294 -5.328 1.00 0.00 N ATOM 481 CA VAL A 31 -9.510 -6.235 -4.568 1.00 0.00 C ATOM 482 C VAL A 31 -10.405 -7.214 -3.822 1.00 0.00 C ATOM 483 O VAL A 31 -10.177 -8.423 -3.835 1.00 0.00 O ATOM 484 CB VAL A 31 -8.589 -5.521 -3.561 1.00 0.00 C ATOM 485 CG1 VAL A 31 -7.566 -4.658 -4.281 1.00 0.00 C ATOM 486 CG2 VAL A 31 -9.398 -4.682 -2.592 1.00 0.00 C ATOM 0 H VAL A 31 -10.201 -4.316 -5.065 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.882 -6.769 -5.281 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.057 -6.285 -2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.927 -4.164 -3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.955 -5.284 -4.932 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.081 -3.906 -4.879 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.726 -4.187 -1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.963 -3.931 -3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.088 -5.323 -2.043 1.00 0.00 H new ATOM 496 N GLN A 32 -11.440 -6.675 -3.185 1.00 0.00 N ATOM 497 CA GLN A 32 -12.396 -7.487 -2.444 1.00 0.00 C ATOM 498 C GLN A 32 -13.007 -8.541 -3.361 1.00 0.00 C ATOM 499 O GLN A 32 -13.293 -9.663 -2.940 1.00 0.00 O ATOM 500 CB GLN A 32 -13.496 -6.598 -1.857 1.00 0.00 C ATOM 501 CG GLN A 32 -13.357 -6.362 -0.363 1.00 0.00 C ATOM 502 CD GLN A 32 -14.204 -5.203 0.126 1.00 0.00 C ATOM 503 OE1 GLN A 32 -14.830 -4.499 -0.668 1.00 0.00 O ATOM 504 NE2 GLN A 32 -14.227 -4.997 1.437 1.00 0.00 N ATOM 0 H GLN A 32 -11.638 -5.674 -3.168 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.876 -7.989 -1.628 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.487 -5.636 -2.370 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -14.465 -7.056 -2.055 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -13.643 -7.267 0.172 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.311 -6.168 -0.125 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.693 -5.605 2.058 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.779 -4.231 1.823 1.00 0.00 H new ATOM 513 N LEU A 33 -13.192 -8.165 -4.621 1.00 0.00 N ATOM 514 CA LEU A 33 -13.756 -9.059 -5.623 1.00 0.00 C ATOM 515 C LEU A 33 -12.774 -10.175 -5.977 1.00 0.00 C ATOM 516 O LEU A 33 -13.170 -11.224 -6.487 1.00 0.00 O ATOM 517 CB LEU A 33 -14.124 -8.269 -6.880 1.00 0.00 C ATOM 518 CG LEU A 33 -14.904 -9.052 -7.935 1.00 0.00 C ATOM 519 CD1 LEU A 33 -16.143 -9.686 -7.322 1.00 0.00 C ATOM 520 CD2 LEU A 33 -15.286 -8.145 -9.096 1.00 0.00 C ATOM 0 H LEU A 33 -12.957 -7.238 -4.975 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.655 -9.514 -5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.714 -7.401 -6.585 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -13.208 -7.892 -7.334 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.265 -9.848 -8.316 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -16.686 -10.239 -8.088 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -15.846 -10.367 -6.524 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.786 -8.907 -6.913 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -15.841 -8.719 -9.838 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.907 -7.328 -8.730 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.383 -7.738 -9.552 1.00 0.00 H new ATOM 532 N CYS A 34 -11.491 -9.938 -5.713 1.00 0.00 N ATOM 533 CA CYS A 34 -10.452 -10.918 -6.015 1.00 0.00 C ATOM 534 C CYS A 34 -10.151 -11.813 -4.812 1.00 0.00 C ATOM 535 O CYS A 34 -9.347 -12.738 -4.912 1.00 0.00 O ATOM 536 CB CYS A 34 -9.173 -10.211 -6.466 1.00 0.00 C ATOM 537 SG CYS A 34 -9.193 -9.687 -8.197 1.00 0.00 S ATOM 0 H CYS A 34 -11.147 -9.076 -5.291 1.00 0.00 H new ATOM 0 HA CYS A 34 -10.823 -11.551 -6.821 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.011 -9.337 -5.835 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -8.326 -10.879 -6.309 1.00 0.00 H new ATOM 0 HG CYS A 34 -10.370 -9.224 -8.497 1.00 0.00 H new ATOM 543 N GLY A 35 -10.796 -11.539 -3.680 1.00 0.00 N ATOM 544 CA GLY A 35 -10.577 -12.344 -2.489 1.00 0.00 C ATOM 545 C GLY A 35 -9.738 -11.640 -1.439 1.00 0.00 C ATOM 546 O GLY A 35 -9.233 -12.277 -0.515 1.00 0.00 O ATOM 0 H GLY A 35 -11.464 -10.777 -3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.541 -12.611 -2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.087 -13.275 -2.773 1.00 0.00 H new ATOM 550 N ALA A 36 -9.590 -10.327 -1.573 1.00 0.00 N ATOM 551 CA ALA A 36 -8.808 -9.548 -0.622 1.00 0.00 C ATOM 552 C ALA A 36 -9.712 -8.807 0.357 1.00 0.00 C ATOM 553 O ALA A 36 -10.934 -8.808 0.213 1.00 0.00 O ATOM 554 CB ALA A 36 -7.908 -8.567 -1.354 1.00 0.00 C ATOM 0 H ALA A 36 -10.001 -9.781 -2.330 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.186 -10.239 -0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.331 -7.993 -0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.229 -9.114 -2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.518 -7.889 -1.951 1.00 0.00 H new ATOM 560 N SER A 37 -9.099 -8.173 1.349 1.00 0.00 N ATOM 561 CA SER A 37 -9.842 -7.422 2.354 1.00 0.00 C ATOM 562 C SER A 37 -9.312 -5.997 2.461 1.00 0.00 C ATOM 563 O SER A 37 -8.103 -5.778 2.542 1.00 0.00 O ATOM 564 CB SER A 37 -9.752 -8.121 3.713 1.00 0.00 C ATOM 565 OG SER A 37 -11.040 -8.443 4.209 1.00 0.00 O ATOM 0 H SER A 37 -8.087 -8.164 1.479 1.00 0.00 H new ATOM 0 HA SER A 37 -10.887 -7.380 2.047 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.158 -9.030 3.619 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.236 -7.475 4.424 1.00 0.00 H new ATOM 0 HG SER A 37 -10.954 -8.890 5.077 1.00 0.00 H new ATOM 571 N VAL A 38 -10.222 -5.030 2.459 1.00 0.00 N ATOM 572 CA VAL A 38 -9.842 -3.627 2.553 1.00 0.00 C ATOM 573 C VAL A 38 -9.352 -3.285 3.955 1.00 0.00 C ATOM 574 O VAL A 38 -10.069 -3.474 4.938 1.00 0.00 O ATOM 575 CB VAL A 38 -11.017 -2.703 2.180 1.00 0.00 C ATOM 576 CG1 VAL A 38 -12.156 -2.839 3.179 1.00 0.00 C ATOM 577 CG2 VAL A 38 -10.551 -1.258 2.085 1.00 0.00 C ATOM 0 H VAL A 38 -11.227 -5.192 2.393 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.030 -3.466 1.844 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.391 -3.008 1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.972 -2.176 2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.511 -3.869 3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.802 -2.569 4.174 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -11.395 -0.620 1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.145 -0.943 3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.779 -1.174 1.320 1.00 0.00 H new ATOM 587 N VAL A 39 -8.124 -2.783 4.042 1.00 0.00 N ATOM 588 CA VAL A 39 -7.537 -2.419 5.327 1.00 0.00 C ATOM 589 C VAL A 39 -7.764 -0.943 5.630 1.00 0.00 C ATOM 590 O VAL A 39 -7.451 -0.076 4.813 1.00 0.00 O ATOM 591 CB VAL A 39 -6.023 -2.710 5.363 1.00 0.00 C ATOM 592 CG1 VAL A 39 -5.572 -3.042 6.774 1.00 0.00 C ATOM 593 CG2 VAL A 39 -5.659 -3.838 4.405 1.00 0.00 C ATOM 0 H VAL A 39 -7.517 -2.619 3.239 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.031 -3.028 6.084 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.502 -1.809 5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.501 -3.244 6.776 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.783 -2.199 7.431 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.107 -3.922 7.129 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.586 -4.022 4.451 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.195 -4.744 4.689 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.936 -3.556 3.389 1.00 0.00 H new ATOM 603 N LYS A 40 -8.310 -0.661 6.808 1.00 0.00 N ATOM 604 CA LYS A 40 -8.579 0.714 7.217 1.00 0.00 C ATOM 605 C LYS A 40 -7.297 1.537 7.238 1.00 0.00 C ATOM 606 O LYS A 40 -7.284 2.697 6.826 1.00 0.00 O ATOM 607 CB LYS A 40 -9.237 0.738 8.598 1.00 0.00 C ATOM 608 CG LYS A 40 -10.698 0.316 8.584 1.00 0.00 C ATOM 609 CD LYS A 40 -11.115 -0.300 9.910 1.00 0.00 C ATOM 610 CE LYS A 40 -11.660 -1.708 9.726 1.00 0.00 C ATOM 611 NZ LYS A 40 -12.617 -1.788 8.588 1.00 0.00 N ATOM 0 H LYS A 40 -8.575 -1.365 7.496 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.260 1.156 6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.683 0.079 9.266 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.162 1.745 9.009 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.325 1.182 8.371 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.862 -0.402 7.781 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.260 -0.326 10.585 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.873 0.326 10.380 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.834 -2.398 9.555 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.157 -2.028 10.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.349 -2.496 8.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.064 -0.860 8.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.107 -2.064 7.724 1.00 0.00 H new ATOM 625 N GLU A 41 -6.220 0.929 7.721 1.00 0.00 N ATOM 626 CA GLU A 41 -4.929 1.602 7.797 1.00 0.00 C ATOM 627 C GLU A 41 -3.786 0.595 7.726 1.00 0.00 C ATOM 628 O GLU A 41 -4.011 -0.604 7.568 1.00 0.00 O ATOM 629 CB GLU A 41 -4.828 2.413 9.090 1.00 0.00 C ATOM 630 CG GLU A 41 -5.361 3.831 8.962 1.00 0.00 C ATOM 631 CD GLU A 41 -4.268 4.878 9.063 1.00 0.00 C ATOM 632 OE1 GLU A 41 -3.746 5.086 10.178 1.00 0.00 O ATOM 633 OE2 GLU A 41 -3.934 5.490 8.027 1.00 0.00 O ATOM 0 H GLU A 41 -6.215 -0.031 8.066 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.849 2.277 6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.378 1.897 9.877 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.785 2.453 9.404 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.873 3.937 8.006 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.102 4.008 9.742 1.00 0.00 H new ATOM 640 N LEU A 42 -2.559 1.092 7.846 1.00 0.00 N ATOM 641 CA LEU A 42 -1.379 0.235 7.798 1.00 0.00 C ATOM 642 C LEU A 42 -1.254 -0.587 9.077 1.00 0.00 C ATOM 643 O LEU A 42 -0.876 -1.758 9.041 1.00 0.00 O ATOM 644 CB LEU A 42 -0.120 1.078 7.593 1.00 0.00 C ATOM 645 CG LEU A 42 -0.232 2.160 6.517 1.00 0.00 C ATOM 646 CD1 LEU A 42 1.027 3.013 6.485 1.00 0.00 C ATOM 647 CD2 LEU A 42 -0.488 1.531 5.156 1.00 0.00 C ATOM 0 H LEU A 42 -2.356 2.083 7.977 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.489 -0.449 6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.138 1.554 8.539 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.705 0.414 7.334 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.076 2.805 6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.929 3.777 5.714 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.167 3.492 7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.888 2.382 6.264 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.565 2.314 4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.336 0.863 4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.418 0.964 5.186 1.00 0.00 H new ATOM 659 N SER A 43 -1.572 0.035 10.207 1.00 0.00 N ATOM 660 CA SER A 43 -1.496 -0.638 11.498 1.00 0.00 C ATOM 661 C SER A 43 -2.614 -1.670 11.656 1.00 0.00 C ATOM 662 O SER A 43 -2.619 -2.445 12.612 1.00 0.00 O ATOM 663 CB SER A 43 -1.566 0.386 12.634 1.00 0.00 C ATOM 664 OG SER A 43 -0.469 0.242 13.519 1.00 0.00 O ATOM 0 H SER A 43 -1.885 1.005 10.255 1.00 0.00 H new ATOM 0 HA SER A 43 -0.542 -1.163 11.544 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.573 1.394 12.219 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.499 0.261 13.183 1.00 0.00 H new ATOM 0 HG SER A 43 -0.536 0.908 14.234 1.00 0.00 H new ATOM 670 N SER A 44 -3.560 -1.675 10.719 1.00 0.00 N ATOM 671 CA SER A 44 -4.677 -2.614 10.768 1.00 0.00 C ATOM 672 C SER A 44 -4.375 -3.882 9.969 1.00 0.00 C ATOM 673 O SER A 44 -5.287 -4.631 9.618 1.00 0.00 O ATOM 674 CB SER A 44 -5.947 -1.953 10.232 1.00 0.00 C ATOM 675 OG SER A 44 -6.620 -1.237 11.254 1.00 0.00 O ATOM 0 H SER A 44 -3.575 -1.042 9.920 1.00 0.00 H new ATOM 0 HA SER A 44 -4.828 -2.897 11.810 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.692 -1.276 9.417 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.610 -2.713 9.819 1.00 0.00 H new ATOM 0 HG SER A 44 -7.428 -0.822 10.885 1.00 0.00 H new ATOM 681 N PHE A 45 -3.097 -4.121 9.688 1.00 0.00 N ATOM 682 CA PHE A 45 -2.693 -5.302 8.933 1.00 0.00 C ATOM 683 C PHE A 45 -2.624 -6.525 9.843 1.00 0.00 C ATOM 684 O PHE A 45 -1.613 -6.763 10.505 1.00 0.00 O ATOM 685 CB PHE A 45 -1.338 -5.071 8.264 1.00 0.00 C ATOM 686 CG PHE A 45 -1.440 -4.427 6.910 1.00 0.00 C ATOM 687 CD1 PHE A 45 -2.293 -4.941 5.946 1.00 0.00 C ATOM 688 CD2 PHE A 45 -0.686 -3.305 6.603 1.00 0.00 C ATOM 689 CE1 PHE A 45 -2.391 -4.348 4.701 1.00 0.00 C ATOM 690 CE2 PHE A 45 -0.781 -2.708 5.361 1.00 0.00 C ATOM 691 CZ PHE A 45 -1.635 -3.231 4.408 1.00 0.00 C ATOM 0 H PHE A 45 -2.327 -3.515 9.971 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.440 -5.484 8.161 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.725 -4.444 8.911 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.823 -6.026 8.165 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.888 -5.814 6.170 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.017 -2.893 7.343 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.059 -4.759 3.958 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.189 -1.834 5.135 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.710 -2.766 3.436 1.00 0.00 H new ATOM 762 N VAL A 51 -3.730 -15.259 5.077 1.00 0.00 N ATOM 763 CA VAL A 51 -3.811 -13.819 4.862 1.00 0.00 C ATOM 764 C VAL A 51 -2.515 -13.283 4.262 1.00 0.00 C ATOM 765 O VAL A 51 -1.432 -13.797 4.540 1.00 0.00 O ATOM 766 CB VAL A 51 -4.103 -13.069 6.177 1.00 0.00 C ATOM 767 CG1 VAL A 51 -4.336 -11.590 5.909 1.00 0.00 C ATOM 768 CG2 VAL A 51 -5.298 -13.684 6.890 1.00 0.00 C ATOM 0 HA VAL A 51 -4.632 -13.647 4.166 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.233 -13.164 6.827 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.541 -11.078 6.849 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.448 -11.160 5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.187 -11.471 5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.488 -13.141 7.816 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.176 -13.624 6.247 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.087 -14.729 7.119 1.00 0.00 H new ATOM 778 N HIS A 52 -2.634 -12.246 3.439 1.00 0.00 N ATOM 779 CA HIS A 52 -1.470 -11.640 2.801 1.00 0.00 C ATOM 780 C HIS A 52 -1.552 -10.114 2.853 1.00 0.00 C ATOM 781 O HIS A 52 -2.480 -9.519 2.304 1.00 0.00 O ATOM 782 CB HIS A 52 -1.357 -12.111 1.349 1.00 0.00 C ATOM 783 CG HIS A 52 -0.084 -12.844 1.056 1.00 0.00 C ATOM 784 ND1 HIS A 52 0.586 -13.594 1.999 1.00 0.00 N ATOM 785 CD2 HIS A 52 0.641 -12.942 -0.084 1.00 0.00 C ATOM 786 CE1 HIS A 52 1.668 -14.119 1.453 1.00 0.00 C ATOM 787 NE2 HIS A 52 1.724 -13.739 0.190 1.00 0.00 N ATOM 0 H HIS A 52 -3.523 -11.808 3.198 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.581 -11.955 3.347 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.202 -12.760 1.119 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.430 -11.247 0.688 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.410 -12.479 -1.032 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.385 -14.752 1.955 1.00 0.00 H new ATOM 0 HE2 HIS A 52 2.454 -13.996 -0.474 1.00 0.00 H new ATOM 796 N PRO A 53 -0.584 -9.456 3.519 1.00 0.00 N ATOM 797 CA PRO A 53 -0.562 -7.998 3.639 1.00 0.00 C ATOM 798 C PRO A 53 -0.014 -7.314 2.390 1.00 0.00 C ATOM 799 O PRO A 53 1.066 -7.654 1.906 1.00 0.00 O ATOM 800 CB PRO A 53 0.370 -7.768 4.825 1.00 0.00 C ATOM 801 CG PRO A 53 1.328 -8.909 4.772 1.00 0.00 C ATOM 802 CD PRO A 53 0.561 -10.081 4.212 1.00 0.00 C ATOM 0 HA PRO A 53 -1.561 -7.582 3.768 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.887 -6.812 4.744 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.180 -7.755 5.766 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.185 -8.668 4.142 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.716 -9.137 5.765 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.172 -10.667 3.526 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.230 -10.756 5.001 1.00 0.00 H new ATOM 810 N ILE A 54 -0.766 -6.346 1.877 1.00 0.00 N ATOM 811 CA ILE A 54 -0.362 -5.606 0.686 1.00 0.00 C ATOM 812 C ILE A 54 -0.803 -4.149 0.781 1.00 0.00 C ATOM 813 O ILE A 54 -1.741 -3.823 1.507 1.00 0.00 O ATOM 814 CB ILE A 54 -0.954 -6.224 -0.597 1.00 0.00 C ATOM 815 CG1 ILE A 54 -0.846 -7.751 -0.559 1.00 0.00 C ATOM 816 CG2 ILE A 54 -0.256 -5.664 -1.827 1.00 0.00 C ATOM 817 CD1 ILE A 54 0.565 -8.272 -0.721 1.00 0.00 C ATOM 0 H ILE A 54 -1.662 -6.055 2.269 1.00 0.00 H new ATOM 0 HA ILE A 54 0.725 -5.660 0.633 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.010 -5.960 -0.653 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.248 -8.110 0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.470 -8.169 -1.349 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.686 -6.110 -2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.389 -4.583 -1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.808 -5.897 -1.779 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.557 -9.361 -0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.966 -7.945 -1.681 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.190 -7.885 0.084 1.00 0.00 H new ATOM 829 N VAL A 55 -0.123 -3.277 0.045 1.00 0.00 N ATOM 830 CA VAL A 55 -0.451 -1.855 0.051 1.00 0.00 C ATOM 831 C VAL A 55 -0.400 -1.276 -1.358 1.00 0.00 C ATOM 832 O VAL A 55 0.436 -1.672 -2.170 1.00 0.00 O ATOM 833 CB VAL A 55 0.511 -1.059 0.953 1.00 0.00 C ATOM 834 CG1 VAL A 55 0.003 0.361 1.155 1.00 0.00 C ATOM 835 CG2 VAL A 55 0.698 -1.761 2.291 1.00 0.00 C ATOM 0 H VAL A 55 0.657 -3.528 -0.562 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.464 -1.766 0.444 1.00 0.00 H new ATOM 0 HB VAL A 55 1.481 -1.007 0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.696 0.908 1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.071 0.862 0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.980 0.332 1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.381 -1.182 2.913 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.265 -1.848 2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.112 -2.755 2.125 1.00 0.00 H new ATOM 845 N VAL A 56 -1.295 -0.334 -1.645 1.00 0.00 N ATOM 846 CA VAL A 56 -1.339 0.293 -2.960 1.00 0.00 C ATOM 847 C VAL A 56 -1.318 1.815 -2.848 1.00 0.00 C ATOM 848 O VAL A 56 -1.638 2.376 -1.799 1.00 0.00 O ATOM 849 CB VAL A 56 -2.590 -0.133 -3.750 1.00 0.00 C ATOM 850 CG1 VAL A 56 -2.529 0.378 -5.180 1.00 0.00 C ATOM 851 CG2 VAL A 56 -2.750 -1.645 -3.726 1.00 0.00 C ATOM 0 H VAL A 56 -1.995 0.009 -0.988 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.450 -0.043 -3.495 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.461 0.312 -3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.424 0.064 -5.717 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.472 1.466 -5.175 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.647 -0.029 -5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.640 -1.926 -4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.873 -2.111 -4.176 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.852 -1.984 -2.695 1.00 0.00 H new ATOM 861 N VAL A 57 -0.931 2.476 -3.934 1.00 0.00 N ATOM 862 CA VAL A 57 -0.857 3.933 -3.968 1.00 0.00 C ATOM 863 C VAL A 57 -1.062 4.451 -5.392 1.00 0.00 C ATOM 864 O VAL A 57 -1.450 3.697 -6.284 1.00 0.00 O ATOM 865 CB VAL A 57 0.501 4.447 -3.435 1.00 0.00 C ATOM 866 CG1 VAL A 57 0.329 5.783 -2.725 1.00 0.00 C ATOM 867 CG2 VAL A 57 1.142 3.428 -2.504 1.00 0.00 C ATOM 0 H VAL A 57 -0.662 2.023 -4.807 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.651 4.308 -3.323 1.00 0.00 H new ATOM 0 HB VAL A 57 1.164 4.592 -4.288 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.296 6.127 -2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.076 6.516 -3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.356 5.663 -1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.095 3.814 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.482 3.243 -1.657 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.309 2.496 -3.044 1.00 0.00 H new ATOM 877 N GLN A 58 -0.797 5.738 -5.601 1.00 0.00 N ATOM 878 CA GLN A 58 -0.952 6.350 -6.915 1.00 0.00 C ATOM 879 C GLN A 58 -0.561 7.826 -6.873 1.00 0.00 C ATOM 880 O GLN A 58 -1.419 8.706 -6.943 1.00 0.00 O ATOM 881 CB GLN A 58 -2.392 6.201 -7.408 1.00 0.00 C ATOM 882 CG GLN A 58 -2.506 6.013 -8.911 1.00 0.00 C ATOM 883 CD GLN A 58 -2.870 7.296 -9.634 1.00 0.00 C ATOM 884 OE1 GLN A 58 -1.996 8.067 -10.029 1.00 0.00 O ATOM 885 NE2 GLN A 58 -4.165 7.529 -9.808 1.00 0.00 N ATOM 0 H GLN A 58 -0.473 6.377 -4.875 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.288 5.836 -7.610 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.851 5.348 -6.908 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.960 7.085 -7.117 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.559 5.638 -9.299 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.260 5.255 -9.122 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.854 6.861 -9.463 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.471 8.376 -10.286 1.00 0.00 H new ATOM 894 N PRO A 59 0.746 8.116 -6.757 1.00 0.00 N ATOM 895 CA PRO A 59 1.249 9.492 -6.703 1.00 0.00 C ATOM 896 C PRO A 59 0.700 10.357 -7.832 1.00 0.00 C ATOM 897 O PRO A 59 1.098 10.214 -8.988 1.00 0.00 O ATOM 898 CB PRO A 59 2.763 9.322 -6.843 1.00 0.00 C ATOM 899 CG PRO A 59 3.040 7.957 -6.317 1.00 0.00 C ATOM 900 CD PRO A 59 1.836 7.125 -6.666 1.00 0.00 C ATOM 0 HA PRO A 59 0.947 10.000 -5.787 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.078 9.417 -7.882 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.301 10.082 -6.276 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.943 7.543 -6.764 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.199 7.979 -5.239 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.975 6.594 -7.608 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.633 6.374 -5.903 1.00 0.00 H new ATOM 908 N ASP A 60 -0.216 11.255 -7.488 1.00 0.00 N ATOM 909 CA ASP A 60 -0.822 12.147 -8.470 1.00 0.00 C ATOM 910 C ASP A 60 -1.740 13.157 -7.792 1.00 0.00 C ATOM 911 O ASP A 60 -1.761 14.334 -8.153 1.00 0.00 O ATOM 912 CB ASP A 60 -1.606 11.341 -9.508 1.00 0.00 C ATOM 913 CG ASP A 60 -1.395 11.853 -10.919 1.00 0.00 C ATOM 914 OD1 ASP A 60 -0.387 11.466 -11.546 1.00 0.00 O ATOM 915 OD2 ASP A 60 -2.237 12.642 -11.396 1.00 0.00 O ATOM 0 H ASP A 60 -0.556 11.385 -6.535 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.022 12.691 -8.973 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.304 10.295 -9.455 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.668 11.379 -9.266 1.00 0.00 H new ATOM 1054 N ALA A 70 8.502 7.741 2.533 1.00 0.00 N ATOM 1055 CA ALA A 70 8.595 6.916 3.732 1.00 0.00 C ATOM 1056 C ALA A 70 7.450 5.910 3.804 1.00 0.00 C ATOM 1057 O ALA A 70 6.968 5.582 4.889 1.00 0.00 O ATOM 1058 CB ALA A 70 8.606 7.793 4.974 1.00 0.00 C ATOM 0 HA ALA A 70 9.529 6.357 3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.676 7.165 5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.463 8.466 4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.687 8.378 5.014 1.00 0.00 H new ATOM 1064 N ILE A 71 7.021 5.420 2.645 1.00 0.00 N ATOM 1065 CA ILE A 71 5.934 4.449 2.584 1.00 0.00 C ATOM 1066 C ILE A 71 6.366 3.109 3.170 1.00 0.00 C ATOM 1067 O ILE A 71 5.783 2.629 4.142 1.00 0.00 O ATOM 1068 CB ILE A 71 5.451 4.234 1.138 1.00 0.00 C ATOM 1069 CG1 ILE A 71 5.191 5.579 0.454 1.00 0.00 C ATOM 1070 CG2 ILE A 71 4.196 3.374 1.122 1.00 0.00 C ATOM 1071 CD1 ILE A 71 4.146 6.421 1.154 1.00 0.00 C ATOM 0 H ILE A 71 7.408 5.679 1.738 1.00 0.00 H new ATOM 0 HA ILE A 71 5.112 4.855 3.174 1.00 0.00 H new ATOM 0 HB ILE A 71 6.233 3.714 0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.125 6.139 0.406 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.873 5.400 -0.573 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.866 3.231 0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.413 2.405 1.572 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.408 3.869 1.690 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.013 7.359 0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.200 5.880 1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.471 6.631 2.173 1.00 0.00 H new ATOM 1083 N GLY A 72 7.393 2.513 2.575 1.00 0.00 N ATOM 1084 CA GLY A 72 7.886 1.235 3.055 1.00 0.00 C ATOM 1085 C GLY A 72 8.438 1.319 4.465 1.00 0.00 C ATOM 1086 O GLY A 72 8.522 0.311 5.167 1.00 0.00 O ATOM 0 H GLY A 72 7.893 2.891 1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.078 0.504 3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.665 0.874 2.384 1.00 0.00 H new ATOM 1090 N GLN A 73 8.815 2.525 4.883 1.00 0.00 N ATOM 1091 CA GLN A 73 9.361 2.737 6.218 1.00 0.00 C ATOM 1092 C GLN A 73 8.246 2.907 7.249 1.00 0.00 C ATOM 1093 O GLN A 73 8.482 2.803 8.452 1.00 0.00 O ATOM 1094 CB GLN A 73 10.272 3.965 6.229 1.00 0.00 C ATOM 1095 CG GLN A 73 11.530 3.797 5.393 1.00 0.00 C ATOM 1096 CD GLN A 73 11.523 4.661 4.147 1.00 0.00 C ATOM 1097 OE1 GLN A 73 11.653 5.882 4.224 1.00 0.00 O ATOM 1098 NE2 GLN A 73 11.370 4.028 2.989 1.00 0.00 N ATOM 0 H GLN A 73 8.752 3.370 4.315 1.00 0.00 H new ATOM 0 HA GLN A 73 9.944 1.856 6.486 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.713 4.825 5.860 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.556 4.187 7.258 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.401 4.048 5.999 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.633 2.751 5.104 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.266 3.013 2.972 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.357 4.557 2.117 1.00 0.00 H new ATOM 1107 N MET A 74 7.032 3.172 6.773 1.00 0.00 N ATOM 1108 CA MET A 74 5.889 3.359 7.659 1.00 0.00 C ATOM 1109 C MET A 74 5.127 2.050 7.851 1.00 0.00 C ATOM 1110 O MET A 74 4.486 1.842 8.881 1.00 0.00 O ATOM 1111 CB MET A 74 4.953 4.428 7.096 1.00 0.00 C ATOM 1112 CG MET A 74 4.185 5.187 8.166 1.00 0.00 C ATOM 1113 SD MET A 74 4.199 6.972 7.903 1.00 0.00 S ATOM 1114 CE MET A 74 2.526 7.244 7.328 1.00 0.00 C ATOM 0 H MET A 74 6.816 3.262 5.780 1.00 0.00 H new ATOM 0 HA MET A 74 6.263 3.686 8.629 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.536 5.136 6.507 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.243 3.957 6.416 1.00 0.00 H new ATOM 0 HG2 MET A 74 3.154 4.835 8.185 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.616 4.965 9.142 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.380 8.304 7.122 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.357 6.671 6.416 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.821 6.923 8.095 1.00 0.00 H new ATOM 1124 N CYS A 75 5.202 1.172 6.855 1.00 0.00 N ATOM 1125 CA CYS A 75 4.519 -0.115 6.920 1.00 0.00 C ATOM 1126 C CYS A 75 5.450 -1.248 6.501 1.00 0.00 C ATOM 1127 O CYS A 75 6.425 -1.029 5.781 1.00 0.00 O ATOM 1128 CB CYS A 75 3.279 -0.102 6.025 1.00 0.00 C ATOM 1129 SG CYS A 75 2.284 -1.609 6.123 1.00 0.00 S ATOM 0 H CYS A 75 5.728 1.328 5.995 1.00 0.00 H new ATOM 0 HA CYS A 75 4.213 -0.284 7.952 1.00 0.00 H new ATOM 0 HB2 CYS A 75 2.656 0.750 6.297 1.00 0.00 H new ATOM 0 HB3 CYS A 75 3.591 0.048 4.992 1.00 0.00 H new ATOM 0 HG CYS A 75 1.702 -1.670 7.284 1.00 0.00 H new ATOM 1135 N GLU A 76 5.143 -2.458 6.956 1.00 0.00 N ATOM 1136 CA GLU A 76 5.951 -3.626 6.628 1.00 0.00 C ATOM 1137 C GLU A 76 5.305 -4.442 5.512 1.00 0.00 C ATOM 1138 O GLU A 76 5.462 -5.660 5.450 1.00 0.00 O ATOM 1139 CB GLU A 76 6.147 -4.502 7.868 1.00 0.00 C ATOM 1140 CG GLU A 76 4.856 -5.106 8.397 1.00 0.00 C ATOM 1141 CD GLU A 76 4.997 -5.637 9.810 1.00 0.00 C ATOM 1142 OE1 GLU A 76 5.079 -4.815 10.746 1.00 0.00 O ATOM 1143 OE2 GLU A 76 5.023 -6.874 9.980 1.00 0.00 O ATOM 0 H GLU A 76 4.340 -2.655 7.553 1.00 0.00 H new ATOM 0 HA GLU A 76 6.923 -3.276 6.280 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.843 -5.306 7.628 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.608 -3.905 8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.070 -4.352 8.373 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.541 -5.915 7.738 1.00 0.00 H new ATOM 1150 N ALA A 77 4.577 -3.760 4.632 1.00 0.00 N ATOM 1151 CA ALA A 77 3.907 -4.421 3.518 1.00 0.00 C ATOM 1152 C ALA A 77 4.325 -3.806 2.185 1.00 0.00 C ATOM 1153 O ALA A 77 4.759 -2.655 2.131 1.00 0.00 O ATOM 1154 CB ALA A 77 2.399 -4.341 3.688 1.00 0.00 C ATOM 0 H ALA A 77 4.437 -2.750 4.669 1.00 0.00 H new ATOM 0 HA ALA A 77 4.206 -5.469 3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.911 -4.838 2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 77 2.111 -4.831 4.618 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.091 -3.296 3.719 1.00 0.00 H new ATOM 1160 N PRO A 78 4.199 -4.569 1.086 1.00 0.00 N ATOM 1161 CA PRO A 78 4.567 -4.092 -0.252 1.00 0.00 C ATOM 1162 C PRO A 78 3.699 -2.923 -0.709 1.00 0.00 C ATOM 1163 O PRO A 78 2.535 -2.811 -0.323 1.00 0.00 O ATOM 1164 CB PRO A 78 4.338 -5.312 -1.152 1.00 0.00 C ATOM 1165 CG PRO A 78 3.391 -6.179 -0.396 1.00 0.00 C ATOM 1166 CD PRO A 78 3.692 -5.951 1.059 1.00 0.00 C ATOM 0 HA PRO A 78 5.590 -3.717 -0.279 1.00 0.00 H new ATOM 0 HB2 PRO A 78 3.921 -5.019 -2.115 1.00 0.00 H new ATOM 0 HB3 PRO A 78 5.273 -5.833 -1.355 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.357 -5.921 -0.626 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.524 -7.227 -0.662 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.801 -6.065 1.677 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.432 -6.659 1.433 1.00 0.00 H new ATOM 1174 N VAL A 79 4.277 -2.057 -1.534 1.00 0.00 N ATOM 1175 CA VAL A 79 3.565 -0.894 -2.048 1.00 0.00 C ATOM 1176 C VAL A 79 3.519 -0.916 -3.574 1.00 0.00 C ATOM 1177 O VAL A 79 4.549 -1.069 -4.230 1.00 0.00 O ATOM 1178 CB VAL A 79 4.234 0.414 -1.584 1.00 0.00 C ATOM 1179 CG1 VAL A 79 3.408 1.619 -2.002 1.00 0.00 C ATOM 1180 CG2 VAL A 79 4.444 0.401 -0.078 1.00 0.00 C ATOM 0 H VAL A 79 5.239 -2.139 -1.862 1.00 0.00 H new ATOM 0 HA VAL A 79 2.549 -0.936 -1.655 1.00 0.00 H new ATOM 0 HB VAL A 79 5.209 0.489 -2.065 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.899 2.532 -1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.315 1.638 -3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.416 1.553 -1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.918 1.333 0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.481 0.300 0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.084 -0.439 0.193 1.00 0.00 H new ATOM 1190 N VAL A 80 2.322 -0.764 -4.135 1.00 0.00 N ATOM 1191 CA VAL A 80 2.161 -0.773 -5.585 1.00 0.00 C ATOM 1192 C VAL A 80 1.081 0.210 -6.020 1.00 0.00 C ATOM 1193 O VAL A 80 0.429 0.833 -5.191 1.00 0.00 O ATOM 1194 CB VAL A 80 1.788 -2.177 -6.102 1.00 0.00 C ATOM 1195 CG1 VAL A 80 2.918 -3.161 -5.851 1.00 0.00 C ATOM 1196 CG2 VAL A 80 0.500 -2.660 -5.452 1.00 0.00 C ATOM 0 H VAL A 80 1.456 -0.634 -3.612 1.00 0.00 H new ATOM 0 HA VAL A 80 3.120 -0.477 -6.011 1.00 0.00 H new ATOM 0 HB VAL A 80 1.627 -2.114 -7.178 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.633 -4.145 -6.224 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.816 -2.823 -6.368 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.117 -3.222 -4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.252 -3.652 -5.829 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.633 -2.705 -4.371 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.309 -1.969 -5.690 1.00 0.00 H new ATOM 1206 N THR A 81 0.888 0.331 -7.327 1.00 0.00 N ATOM 1207 CA THR A 81 -0.129 1.224 -7.865 1.00 0.00 C ATOM 1208 C THR A 81 -1.425 0.453 -8.100 1.00 0.00 C ATOM 1209 O THR A 81 -1.462 -0.768 -7.942 1.00 0.00 O ATOM 1210 CB THR A 81 0.351 1.861 -9.170 1.00 0.00 C ATOM 1211 OG1 THR A 81 0.291 0.930 -10.234 1.00 0.00 O ATOM 1212 CG2 THR A 81 1.770 2.382 -9.095 1.00 0.00 C ATOM 0 H THR A 81 1.421 -0.177 -8.033 1.00 0.00 H new ATOM 0 HA THR A 81 -0.314 2.019 -7.142 1.00 0.00 H new ATOM 0 HB THR A 81 -0.319 2.703 -9.344 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.600 1.357 -11.060 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.048 2.821 -10.053 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.838 3.140 -8.315 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.447 1.560 -8.862 1.00 0.00 H new ATOM 1220 N ARG A 82 -2.484 1.160 -8.474 1.00 0.00 N ATOM 1221 CA ARG A 82 -3.771 0.512 -8.720 1.00 0.00 C ATOM 1222 C ARG A 82 -3.711 -0.388 -9.954 1.00 0.00 C ATOM 1223 O ARG A 82 -4.622 -1.184 -10.188 1.00 0.00 O ATOM 1224 CB ARG A 82 -4.902 1.539 -8.872 1.00 0.00 C ATOM 1225 CG ARG A 82 -4.475 2.867 -9.478 1.00 0.00 C ATOM 1226 CD ARG A 82 -3.748 2.669 -10.796 1.00 0.00 C ATOM 1227 NE ARG A 82 -3.435 3.938 -11.448 1.00 0.00 N ATOM 1228 CZ ARG A 82 -2.847 4.034 -12.639 1.00 0.00 C ATOM 1229 NH1 ARG A 82 -2.506 2.941 -13.309 1.00 0.00 N ATOM 1230 NH2 ARG A 82 -2.600 5.228 -13.160 1.00 0.00 N ATOM 0 H ARG A 82 -2.481 2.170 -8.613 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.987 -0.106 -7.849 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.686 1.107 -9.493 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -5.339 1.726 -7.891 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -5.352 3.495 -9.636 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.826 3.395 -8.779 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -2.826 2.115 -10.621 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.363 2.062 -11.461 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.681 4.801 -10.963 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -2.694 2.020 -12.912 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -2.056 3.021 -14.221 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.860 6.071 -12.649 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -2.150 5.303 -14.072 1.00 0.00 H new ATOM 1244 N GLU A 83 -2.638 -0.273 -10.735 1.00 0.00 N ATOM 1245 CA GLU A 83 -2.479 -1.097 -11.929 1.00 0.00 C ATOM 1246 C GLU A 83 -2.544 -2.576 -11.562 1.00 0.00 C ATOM 1247 O GLU A 83 -3.158 -3.375 -12.267 1.00 0.00 O ATOM 1248 CB GLU A 83 -1.153 -0.782 -12.627 1.00 0.00 C ATOM 1249 CG GLU A 83 -1.318 -0.013 -13.927 1.00 0.00 C ATOM 1250 CD GLU A 83 -0.341 1.139 -14.053 1.00 0.00 C ATOM 1251 OE1 GLU A 83 0.688 1.124 -13.345 1.00 0.00 O ATOM 1252 OE2 GLU A 83 -0.604 2.056 -14.860 1.00 0.00 O ATOM 0 H GLU A 83 -1.872 0.378 -10.563 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.294 -0.870 -12.617 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.524 -0.204 -11.950 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.628 -1.716 -12.831 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.181 -0.694 -14.767 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.336 0.371 -13.991 1.00 0.00 H new ATOM 1259 N TRP A 84 -1.918 -2.927 -10.443 1.00 0.00 N ATOM 1260 CA TRP A 84 -1.917 -4.304 -9.964 1.00 0.00 C ATOM 1261 C TRP A 84 -3.344 -4.793 -9.783 1.00 0.00 C ATOM 1262 O TRP A 84 -3.761 -5.791 -10.372 1.00 0.00 O ATOM 1263 CB TRP A 84 -1.183 -4.385 -8.626 1.00 0.00 C ATOM 1264 CG TRP A 84 -1.174 -5.757 -8.022 1.00 0.00 C ATOM 1265 CD1 TRP A 84 -0.422 -6.827 -8.414 1.00 0.00 C ATOM 1266 CD2 TRP A 84 -1.963 -6.206 -6.914 1.00 0.00 C ATOM 1267 NE1 TRP A 84 -0.693 -7.913 -7.616 1.00 0.00 N ATOM 1268 CE2 TRP A 84 -1.637 -7.555 -6.687 1.00 0.00 C ATOM 1269 CE3 TRP A 84 -2.912 -5.594 -6.091 1.00 0.00 C ATOM 1270 CZ2 TRP A 84 -2.228 -8.303 -5.670 1.00 0.00 C ATOM 1271 CZ3 TRP A 84 -3.498 -6.337 -5.083 1.00 0.00 C ATOM 1272 CH2 TRP A 84 -3.155 -7.677 -4.880 1.00 0.00 C ATOM 0 H TRP A 84 -1.404 -2.275 -9.850 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.411 -4.931 -10.698 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.154 -4.053 -8.766 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.648 -3.693 -7.925 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.283 -6.821 -9.232 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -0.263 -8.834 -7.701 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -3.183 -4.559 -6.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -1.964 -9.338 -5.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -4.233 -5.874 -4.441 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.631 -8.230 -4.084 1.00 0.00 H new ATOM 1283 N VAL A 85 -4.080 -4.066 -8.960 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.473 -4.390 -8.676 1.00 0.00 C ATOM 1285 C VAL A 85 -6.293 -4.460 -9.959 1.00 0.00 C ATOM 1286 O VAL A 85 -7.063 -5.397 -10.166 1.00 0.00 O ATOM 1287 CB VAL A 85 -6.103 -3.352 -7.724 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -7.559 -3.691 -7.438 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -5.308 -3.265 -6.430 1.00 0.00 C ATOM 0 H VAL A 85 -3.735 -3.240 -8.472 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.483 -5.367 -8.193 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.073 -2.379 -8.214 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.981 -2.945 -6.765 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.121 -3.697 -8.372 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.619 -4.675 -6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.766 -2.528 -5.770 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.304 -4.238 -5.939 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.284 -2.966 -6.652 1.00 0.00 H new ATOM 1299 N LEU A 86 -6.120 -3.464 -10.818 1.00 0.00 N ATOM 1300 CA LEU A 86 -6.846 -3.414 -12.082 1.00 0.00 C ATOM 1301 C LEU A 86 -6.443 -4.574 -12.986 1.00 0.00 C ATOM 1302 O LEU A 86 -7.287 -5.361 -13.415 1.00 0.00 O ATOM 1303 CB LEU A 86 -6.592 -2.079 -12.790 1.00 0.00 C ATOM 1304 CG LEU A 86 -7.826 -1.190 -12.953 1.00 0.00 C ATOM 1305 CD1 LEU A 86 -7.904 -0.173 -11.825 1.00 0.00 C ATOM 1306 CD2 LEU A 86 -7.803 -0.488 -14.304 1.00 0.00 C ATOM 0 H LEU A 86 -5.485 -2.681 -10.664 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.911 -3.501 -11.866 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.836 -1.527 -12.232 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.175 -2.281 -13.777 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.713 -1.822 -12.908 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.788 0.451 -11.958 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.967 -0.694 -10.869 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.013 0.454 -11.838 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.688 0.140 -14.403 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.909 0.131 -14.377 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.795 -1.232 -15.101 1.00 0.00 H new ATOM 1318 N ASP A 87 -5.150 -4.677 -13.267 1.00 0.00 N ATOM 1319 CA ASP A 87 -4.636 -5.744 -14.117 1.00 0.00 C ATOM 1320 C ASP A 87 -4.981 -7.111 -13.535 1.00 0.00 C ATOM 1321 O ASP A 87 -5.182 -8.079 -14.268 1.00 0.00 O ATOM 1322 CB ASP A 87 -3.121 -5.611 -14.278 1.00 0.00 C ATOM 1323 CG ASP A 87 -2.544 -6.654 -15.215 1.00 0.00 C ATOM 1324 OD1 ASP A 87 -3.196 -6.962 -16.234 1.00 0.00 O ATOM 1325 OD2 ASP A 87 -1.440 -7.164 -14.927 1.00 0.00 O ATOM 0 H ASP A 87 -4.438 -4.035 -12.919 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.106 -5.656 -15.097 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.885 -4.617 -14.657 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.646 -5.702 -13.301 1.00 0.00 H new ATOM 1330 N SER A 88 -5.048 -7.181 -12.209 1.00 0.00 N ATOM 1331 CA SER A 88 -5.369 -8.426 -11.523 1.00 0.00 C ATOM 1332 C SER A 88 -6.865 -8.720 -11.597 1.00 0.00 C ATOM 1333 O SER A 88 -7.271 -9.831 -11.937 1.00 0.00 O ATOM 1334 CB SER A 88 -4.924 -8.358 -10.061 1.00 0.00 C ATOM 1335 OG SER A 88 -3.518 -8.501 -9.948 1.00 0.00 O ATOM 0 H SER A 88 -4.884 -6.388 -11.588 1.00 0.00 H new ATOM 0 HA SER A 88 -4.833 -9.233 -12.022 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.232 -7.406 -9.628 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.420 -9.143 -9.490 1.00 0.00 H new ATOM 0 HG SER A 88 -3.092 -7.623 -10.038 1.00 0.00 H new ATOM 1341 N VAL A 89 -7.679 -7.721 -11.271 1.00 0.00 N ATOM 1342 CA VAL A 89 -9.130 -7.877 -11.299 1.00 0.00 C ATOM 1343 C VAL A 89 -9.653 -7.964 -12.730 1.00 0.00 C ATOM 1344 O VAL A 89 -10.686 -8.583 -12.985 1.00 0.00 O ATOM 1345 CB VAL A 89 -9.833 -6.714 -10.571 1.00 0.00 C ATOM 1346 CG1 VAL A 89 -11.342 -6.922 -10.554 1.00 0.00 C ATOM 1347 CG2 VAL A 89 -9.293 -6.566 -9.155 1.00 0.00 C ATOM 0 H VAL A 89 -7.360 -6.796 -10.985 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.356 -8.809 -10.782 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.624 -5.793 -11.115 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.818 -6.090 -10.035 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.714 -6.972 -11.577 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.575 -7.853 -10.037 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.801 -5.740 -8.656 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.469 -7.488 -8.600 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.223 -6.364 -9.193 1.00 0.00 H new ATOM 1357 N ALA A 90 -8.938 -7.340 -13.661 1.00 0.00 N ATOM 1358 CA ALA A 90 -9.337 -7.351 -15.063 1.00 0.00 C ATOM 1359 C ALA A 90 -9.261 -8.758 -15.643 1.00 0.00 C ATOM 1360 O ALA A 90 -10.259 -9.302 -16.116 1.00 0.00 O ATOM 1361 CB ALA A 90 -8.464 -6.398 -15.866 1.00 0.00 C ATOM 0 H ALA A 90 -8.081 -6.821 -13.470 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.373 -7.017 -15.125 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.772 -6.416 -16.911 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.572 -5.387 -15.473 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.422 -6.708 -15.790 1.00 0.00 H new ATOM 1367 N LEU A 91 -8.069 -9.342 -15.600 1.00 0.00 N ATOM 1368 CA LEU A 91 -7.856 -10.688 -16.117 1.00 0.00 C ATOM 1369 C LEU A 91 -8.123 -11.742 -15.042 1.00 0.00 C ATOM 1370 O LEU A 91 -8.208 -12.934 -15.338 1.00 0.00 O ATOM 1371 CB LEU A 91 -6.424 -10.825 -16.640 1.00 0.00 C ATOM 1372 CG LEU A 91 -6.032 -12.229 -17.106 1.00 0.00 C ATOM 1373 CD1 LEU A 91 -6.888 -12.657 -18.288 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -4.555 -12.274 -17.470 1.00 0.00 C ATOM 0 H LEU A 91 -7.234 -8.903 -15.212 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.558 -10.853 -16.934 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.290 -10.133 -17.471 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.736 -10.515 -15.854 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.206 -12.927 -16.287 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.595 -13.658 -18.606 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.938 -12.662 -17.994 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.746 -11.958 -19.112 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.292 -13.279 -17.799 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.357 -11.565 -18.274 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.957 -12.010 -16.598 1.00 0.00 H new ATOM 1386 N TYR A 92 -8.251 -11.297 -13.794 1.00 0.00 N ATOM 1387 CA TYR A 92 -8.503 -12.203 -12.678 1.00 0.00 C ATOM 1388 C TYR A 92 -7.312 -13.128 -12.455 1.00 0.00 C ATOM 1389 O TYR A 92 -7.296 -14.265 -12.926 1.00 0.00 O ATOM 1390 CB TYR A 92 -9.772 -13.023 -12.928 1.00 0.00 C ATOM 1391 CG TYR A 92 -10.797 -12.906 -11.822 1.00 0.00 C ATOM 1392 CD1 TYR A 92 -10.413 -12.921 -10.486 1.00 0.00 C ATOM 1393 CD2 TYR A 92 -12.149 -12.781 -12.113 1.00 0.00 C ATOM 1394 CE1 TYR A 92 -11.348 -12.815 -9.473 1.00 0.00 C ATOM 1395 CE2 TYR A 92 -13.090 -12.673 -11.106 1.00 0.00 C ATOM 1396 CZ TYR A 92 -12.684 -12.690 -9.789 1.00 0.00 C ATOM 1397 OH TYR A 92 -13.618 -12.584 -8.784 1.00 0.00 O ATOM 0 H TYR A 92 -8.184 -10.314 -13.531 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.647 -11.603 -11.779 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -10.224 -12.701 -13.866 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.499 -14.071 -13.049 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.367 -13.017 -10.235 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.471 -12.768 -13.144 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.033 -12.830 -8.440 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -14.138 -12.576 -11.350 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.315 -11.926 -8.124 1.00 0.00 H new ATOM 1407 N GLN A 93 -6.316 -12.630 -11.731 1.00 0.00 N ATOM 1408 CA GLN A 93 -5.117 -13.407 -11.441 1.00 0.00 C ATOM 1409 C GLN A 93 -4.171 -12.624 -10.536 1.00 0.00 C ATOM 1410 O GLN A 93 -3.914 -11.443 -10.766 1.00 0.00 O ATOM 1411 CB GLN A 93 -4.402 -13.787 -12.740 1.00 0.00 C ATOM 1412 CG GLN A 93 -3.185 -14.672 -12.528 1.00 0.00 C ATOM 1413 CD GLN A 93 -2.309 -14.764 -13.762 1.00 0.00 C ATOM 1414 OE1 GLN A 93 -2.661 -14.256 -14.827 1.00 0.00 O ATOM 1415 NE2 GLN A 93 -1.159 -15.415 -13.625 1.00 0.00 N ATOM 0 H GLN A 93 -6.315 -11.691 -11.334 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.419 -14.317 -10.923 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.105 -14.301 -13.395 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -4.094 -12.877 -13.255 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.597 -14.282 -11.698 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -3.513 -15.672 -12.244 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -0.907 -15.821 -12.724 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.528 -15.509 -14.421 1.00 0.00 H new ATOM 1424 N CYS A 94 -3.658 -13.289 -9.507 1.00 0.00 N ATOM 1425 CA CYS A 94 -2.742 -12.653 -8.566 1.00 0.00 C ATOM 1426 C CYS A 94 -1.437 -12.265 -9.254 1.00 0.00 C ATOM 1427 O CYS A 94 -0.425 -12.954 -9.119 1.00 0.00 O ATOM 1428 CB CYS A 94 -2.455 -13.590 -7.391 1.00 0.00 C ATOM 1429 SG CYS A 94 -1.916 -12.743 -5.887 1.00 0.00 S ATOM 0 H CYS A 94 -3.860 -14.268 -9.303 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.216 -11.746 -8.191 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -3.355 -14.164 -7.169 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.687 -14.304 -7.688 1.00 0.00 H new ATOM 0 HG CYS A 94 -2.868 -11.968 -5.461 1.00 0.00 H new ATOM 1435 N GLN A 95 -1.467 -11.158 -9.990 1.00 0.00 N ATOM 1436 CA GLN A 95 -0.285 -10.679 -10.696 1.00 0.00 C ATOM 1437 C GLN A 95 0.826 -10.321 -9.714 1.00 0.00 C ATOM 1438 O GLN A 95 0.604 -10.257 -8.505 1.00 0.00 O ATOM 1439 CB GLN A 95 -0.636 -9.461 -11.553 1.00 0.00 C ATOM 1440 CG GLN A 95 -1.010 -9.810 -12.984 1.00 0.00 C ATOM 1441 CD GLN A 95 -2.211 -10.732 -13.065 1.00 0.00 C ATOM 1442 OE1 GLN A 95 -2.132 -11.907 -12.706 1.00 0.00 O ATOM 1443 NE2 GLN A 95 -3.333 -10.201 -13.539 1.00 0.00 N ATOM 0 H GLN A 95 -2.296 -10.577 -10.112 1.00 0.00 H new ATOM 0 HA GLN A 95 0.071 -11.480 -11.344 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.466 -8.928 -11.089 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.214 -8.779 -11.565 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.223 -8.893 -13.534 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.159 -10.284 -13.473 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.353 -9.222 -13.825 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.174 -10.772 -13.617 1.00 0.00 H new ATOM 1452 N GLU A 96 2.024 -10.089 -10.242 1.00 0.00 N ATOM 1453 CA GLU A 96 3.169 -9.738 -9.411 1.00 0.00 C ATOM 1454 C GLU A 96 3.167 -8.247 -9.086 1.00 0.00 C ATOM 1455 O GLU A 96 2.813 -7.419 -9.924 1.00 0.00 O ATOM 1456 CB GLU A 96 4.474 -10.117 -10.113 1.00 0.00 C ATOM 1457 CG GLU A 96 4.679 -9.406 -11.441 1.00 0.00 C ATOM 1458 CD GLU A 96 5.256 -10.317 -12.506 1.00 0.00 C ATOM 1459 OE1 GLU A 96 4.561 -11.273 -12.910 1.00 0.00 O ATOM 1460 OE2 GLU A 96 6.403 -10.075 -12.938 1.00 0.00 O ATOM 0 H GLU A 96 2.226 -10.138 -11.241 1.00 0.00 H new ATOM 0 HA GLU A 96 3.093 -10.296 -8.478 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.311 -9.887 -9.454 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.487 -11.194 -10.281 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.725 -9.007 -11.787 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.346 -8.556 -11.295 1.00 0.00 H new ATOM 1467 N LEU A 97 3.564 -7.915 -7.862 1.00 0.00 N ATOM 1468 CA LEU A 97 3.607 -6.524 -7.423 1.00 0.00 C ATOM 1469 C LEU A 97 4.860 -5.825 -7.939 1.00 0.00 C ATOM 1470 O LEU A 97 4.863 -4.613 -8.153 1.00 0.00 O ATOM 1471 CB LEU A 97 3.561 -6.451 -5.896 1.00 0.00 C ATOM 1472 CG LEU A 97 2.166 -6.593 -5.286 1.00 0.00 C ATOM 1473 CD1 LEU A 97 1.866 -8.050 -4.971 1.00 0.00 C ATOM 1474 CD2 LEU A 97 2.043 -5.739 -4.033 1.00 0.00 C ATOM 0 H LEU A 97 3.860 -8.589 -7.156 1.00 0.00 H new ATOM 0 HA LEU A 97 2.736 -6.013 -7.833 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.201 -7.235 -5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.985 -5.498 -5.579 1.00 0.00 H new ATOM 0 HG LEU A 97 1.435 -6.243 -6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.869 -8.131 -4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.912 -8.637 -5.888 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.602 -8.428 -4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.044 -5.852 -3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.784 -6.059 -3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.213 -4.693 -4.288 1.00 0.00 H new ATOM 1486 N ASP A 98 5.925 -6.596 -8.136 1.00 0.00 N ATOM 1487 CA ASP A 98 7.188 -6.051 -8.625 1.00 0.00 C ATOM 1488 C ASP A 98 6.985 -5.271 -9.921 1.00 0.00 C ATOM 1489 O ASP A 98 7.707 -4.315 -10.201 1.00 0.00 O ATOM 1490 CB ASP A 98 8.201 -7.176 -8.848 1.00 0.00 C ATOM 1491 CG ASP A 98 9.110 -7.381 -7.652 1.00 0.00 C ATOM 1492 OD1 ASP A 98 9.459 -6.378 -6.994 1.00 0.00 O ATOM 1493 OD2 ASP A 98 9.473 -8.543 -7.373 1.00 0.00 O ATOM 0 H ASP A 98 5.939 -7.601 -7.964 1.00 0.00 H new ATOM 0 HA ASP A 98 7.573 -5.367 -7.869 1.00 0.00 H new ATOM 0 HB2 ASP A 98 7.669 -8.103 -9.060 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.806 -6.948 -9.726 1.00 0.00 H new ATOM 1498 N THR A 99 5.996 -5.685 -10.706 1.00 0.00 N ATOM 1499 CA THR A 99 5.697 -5.024 -11.972 1.00 0.00 C ATOM 1500 C THR A 99 4.966 -3.701 -11.750 1.00 0.00 C ATOM 1501 O THR A 99 4.848 -2.888 -12.667 1.00 0.00 O ATOM 1502 CB THR A 99 4.855 -5.937 -12.865 1.00 0.00 C ATOM 1503 OG1 THR A 99 3.691 -6.373 -12.184 1.00 0.00 O ATOM 1504 CG2 THR A 99 5.602 -7.167 -13.336 1.00 0.00 C ATOM 0 H THR A 99 5.388 -6.475 -10.488 1.00 0.00 H new ATOM 0 HA THR A 99 6.645 -4.812 -12.466 1.00 0.00 H new ATOM 0 HB THR A 99 4.598 -5.333 -13.735 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.996 -5.685 -12.250 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.948 -7.771 -13.965 1.00 0.00 H new ATOM 0 HG22 THR A 99 6.478 -6.863 -13.910 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.919 -7.753 -12.473 1.00 0.00 H new ATOM 1512 N TYR A 100 4.476 -3.485 -10.531 1.00 0.00 N ATOM 1513 CA TYR A 100 3.760 -2.258 -10.205 1.00 0.00 C ATOM 1514 C TYR A 100 4.145 -1.753 -8.817 1.00 0.00 C ATOM 1515 O TYR A 100 3.356 -1.087 -8.148 1.00 0.00 O ATOM 1516 CB TYR A 100 2.248 -2.487 -10.275 1.00 0.00 C ATOM 1517 CG TYR A 100 1.811 -3.303 -11.472 1.00 0.00 C ATOM 1518 CD1 TYR A 100 1.919 -2.793 -12.760 1.00 0.00 C ATOM 1519 CD2 TYR A 100 1.289 -4.580 -11.313 1.00 0.00 C ATOM 1520 CE1 TYR A 100 1.519 -3.535 -13.855 1.00 0.00 C ATOM 1521 CE2 TYR A 100 0.888 -5.327 -12.403 1.00 0.00 C ATOM 1522 CZ TYR A 100 1.005 -4.802 -13.672 1.00 0.00 C ATOM 1523 OH TYR A 100 0.606 -5.542 -14.760 1.00 0.00 O ATOM 0 H TYR A 100 4.562 -4.143 -9.756 1.00 0.00 H new ATOM 0 HA TYR A 100 4.040 -1.501 -10.938 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.923 -2.991 -9.365 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.744 -1.521 -10.301 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.322 -1.802 -12.908 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.195 -4.996 -10.321 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.608 -3.125 -14.850 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.484 -6.319 -12.262 1.00 0.00 H new ATOM 0 HH TYR A 100 -0.058 -6.206 -14.478 1.00 0.00 H new ATOM 1533 N LEU A 101 5.363 -2.075 -8.392 1.00 0.00 N ATOM 1534 CA LEU A 101 5.853 -1.653 -7.084 1.00 0.00 C ATOM 1535 C LEU A 101 6.626 -0.341 -7.191 1.00 0.00 C ATOM 1536 O LEU A 101 7.753 -0.312 -7.688 1.00 0.00 O ATOM 1537 CB LEU A 101 6.743 -2.742 -6.478 1.00 0.00 C ATOM 1538 CG LEU A 101 6.298 -3.259 -5.109 1.00 0.00 C ATOM 1539 CD1 LEU A 101 6.513 -4.761 -5.006 1.00 0.00 C ATOM 1540 CD2 LEU A 101 7.042 -2.537 -3.996 1.00 0.00 C ATOM 0 H LEU A 101 6.028 -2.626 -8.934 1.00 0.00 H new ATOM 0 HA LEU A 101 4.994 -1.492 -6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.784 -3.583 -7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.757 -2.353 -6.390 1.00 0.00 H new ATOM 0 HG LEU A 101 5.233 -3.057 -4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.190 -5.108 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.933 -5.265 -5.779 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.571 -4.987 -5.141 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.711 -2.919 -3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.113 -2.706 -4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.835 -1.468 -4.054 1.00 0.00 H new