USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=19 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 16 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 MET CE :methyl 169:sc= -0.0543 (180deg=-0.478) USER MOD Single : A 6 LYS NZ :NH3+ 141:sc= -0.586 (180deg=-1.37!) USER MOD Single : A 14 CYS SG : rot -114:sc= 0.257 USER MOD Single : A 15 CYS SG : rot 43:sc=-0.00258 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl -141:sc= -2.96! (180deg=-3.48!) USER MOD Single : A 32 GLN : amide:sc= -0.0237 X(o=-0.024,f=-0.27) USER MOD Single : A 34 CYS SG : rot -24:sc= -7.12! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -179:sc= 0 (180deg=-9.76e-05) 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 :FLIP no HD1:sc= -0.519 F(o=-1.1,f=-0.52) USER MOD Single : A 58 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.2) USER MOD Single : A 73 GLN : amide:sc= -0.0899 X(o=-0.09,f=0) USER MOD Single : A 75 CYS SG : rot 70:sc= -1.93 USER MOD Single : A 81 THR OG1 : rot -160:sc= -1.11 USER MOD Single : A 88 SER OG : rot 81:sc= 0.826 USER MOD Single : A 92 TYR OH : rot -1:sc= 0.151 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0.0935 K(o=0.094,f=-1.7) USER MOD Single : A 99 THR OG1 : rot -160:sc= -1.13 USER MOD Single : A 100 TYR OH : rot -129:sc= 0.0885 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 6 -12.022 -16.865 -5.940 1.00 0.00 N ATOM 75 CA LYS A 6 -11.253 -15.642 -5.732 1.00 0.00 C ATOM 76 C LYS A 6 -9.788 -15.859 -6.104 1.00 0.00 C ATOM 77 O LYS A 6 -9.254 -16.956 -5.944 1.00 0.00 O ATOM 78 CB LYS A 6 -11.363 -15.172 -4.275 1.00 0.00 C ATOM 79 CG LYS A 6 -12.663 -15.565 -3.588 1.00 0.00 C ATOM 80 CD LYS A 6 -13.775 -14.578 -3.901 1.00 0.00 C ATOM 81 CE LYS A 6 -14.874 -14.624 -2.853 1.00 0.00 C ATOM 82 NZ LYS A 6 -14.327 -14.535 -1.470 1.00 0.00 N ATOM 0 HA LYS A 6 -11.667 -14.868 -6.379 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.527 -15.583 -3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.264 -14.087 -4.247 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.959 -16.563 -3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.507 -15.611 -2.510 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.364 -13.570 -3.954 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.196 -14.802 -4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.571 -13.803 -3.021 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -15.440 -15.549 -2.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.952 -13.943 -0.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.269 -15.488 -1.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.377 -14.112 -1.499 1.00 0.00 H new ATOM 96 N ILE A 7 -9.147 -14.810 -6.611 1.00 0.00 N ATOM 97 CA ILE A 7 -7.745 -14.891 -7.015 1.00 0.00 C ATOM 98 C ILE A 7 -6.802 -14.507 -5.879 1.00 0.00 C ATOM 99 O ILE A 7 -5.626 -14.871 -5.890 1.00 0.00 O ATOM 100 CB ILE A 7 -7.454 -13.986 -8.223 1.00 0.00 C ATOM 101 CG1 ILE A 7 -7.905 -12.550 -7.940 1.00 0.00 C ATOM 102 CG2 ILE A 7 -8.135 -14.532 -9.470 1.00 0.00 C ATOM 103 CD1 ILE A 7 -6.779 -11.541 -7.997 1.00 0.00 C ATOM 0 H ILE A 7 -9.574 -13.895 -6.752 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.569 -15.931 -7.288 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.378 -13.975 -8.398 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.671 -12.269 -8.663 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.368 -12.511 -6.954 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.920 -13.880 -10.317 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.762 -15.534 -9.679 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.212 -14.573 -9.308 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.171 -10.546 -7.787 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.023 -11.797 -7.255 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.331 -11.552 -8.990 1.00 0.00 H new ATOM 115 N PHE A 8 -7.318 -13.771 -4.902 1.00 0.00 N ATOM 116 CA PHE A 8 -6.510 -13.344 -3.766 1.00 0.00 C ATOM 117 C PHE A 8 -6.647 -14.338 -2.616 1.00 0.00 C ATOM 118 O PHE A 8 -5.650 -14.762 -2.033 1.00 0.00 O ATOM 119 CB PHE A 8 -6.930 -11.942 -3.312 1.00 0.00 C ATOM 120 CG PHE A 8 -6.491 -10.835 -4.238 1.00 0.00 C ATOM 121 CD1 PHE A 8 -5.304 -10.927 -4.954 1.00 0.00 C ATOM 122 CD2 PHE A 8 -7.268 -9.696 -4.389 1.00 0.00 C ATOM 123 CE1 PHE A 8 -4.907 -9.908 -5.799 1.00 0.00 C ATOM 124 CE2 PHE A 8 -6.875 -8.676 -5.233 1.00 0.00 C ATOM 125 CZ PHE A 8 -5.694 -8.782 -5.938 1.00 0.00 C ATOM 0 H PHE A 8 -8.288 -13.458 -4.873 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.465 -13.311 -4.074 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -8.016 -11.913 -3.218 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.519 -11.755 -2.320 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.684 -11.805 -4.849 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -8.193 -9.606 -3.839 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.982 -9.992 -6.350 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.492 -7.796 -5.341 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.385 -7.985 -6.598 1.00 0.00 H new ATOM 135 N ARG A 9 -7.890 -14.712 -2.305 1.00 0.00 N ATOM 136 CA ARG A 9 -8.169 -15.668 -1.230 1.00 0.00 C ATOM 137 C ARG A 9 -7.250 -15.444 -0.035 1.00 0.00 C ATOM 138 O ARG A 9 -6.192 -16.066 0.072 1.00 0.00 O ATOM 139 CB ARG A 9 -8.018 -17.101 -1.741 1.00 0.00 C ATOM 140 CG ARG A 9 -8.454 -18.154 -0.735 1.00 0.00 C ATOM 141 CD ARG A 9 -9.238 -19.275 -1.399 1.00 0.00 C ATOM 142 NE ARG A 9 -9.156 -20.523 -0.644 1.00 0.00 N ATOM 143 CZ ARG A 9 -9.530 -21.706 -1.126 1.00 0.00 C ATOM 144 NH1 ARG A 9 -10.012 -21.807 -2.358 1.00 0.00 N ATOM 145 NH2 ARG A 9 -9.421 -22.792 -0.373 1.00 0.00 N ATOM 0 H ARG A 9 -8.722 -14.366 -2.784 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.197 -15.509 -0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.604 -17.217 -2.653 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.976 -17.275 -2.008 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.577 -18.568 -0.238 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.067 -17.688 0.037 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.282 -18.978 -1.496 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.857 -19.436 -2.407 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.791 -20.486 0.308 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.098 -20.975 -2.942 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.297 -22.717 -2.721 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.051 -22.720 0.575 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.707 -23.699 -0.742 1.00 0.00 H new ATOM 159 N GLY A 10 -7.650 -14.543 0.850 1.00 0.00 N ATOM 160 CA GLY A 10 -6.839 -14.243 2.014 1.00 0.00 C ATOM 161 C GLY A 10 -5.699 -13.311 1.670 1.00 0.00 C ATOM 162 O GLY A 10 -4.531 -13.696 1.712 1.00 0.00 O ATOM 0 H GLY A 10 -8.520 -14.015 0.784 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.461 -13.789 2.785 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.441 -15.169 2.430 1.00 0.00 H new ATOM 166 N LEU A 11 -6.050 -12.087 1.308 1.00 0.00 N ATOM 167 CA LEU A 11 -5.066 -11.084 0.929 1.00 0.00 C ATOM 168 C LEU A 11 -5.522 -9.694 1.370 1.00 0.00 C ATOM 169 O LEU A 11 -6.596 -9.237 0.988 1.00 0.00 O ATOM 170 CB LEU A 11 -4.857 -11.119 -0.586 1.00 0.00 C ATOM 171 CG LEU A 11 -3.513 -10.587 -1.076 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.321 -10.903 -2.551 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.422 -9.091 -0.831 1.00 0.00 C ATOM 0 H LEU A 11 -7.016 -11.762 1.268 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.122 -11.307 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.967 -12.149 -0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.651 -10.541 -1.058 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.717 -11.079 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.358 -10.516 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.349 -11.983 -2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.118 -10.437 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.459 -8.722 -1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.224 -8.585 -1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.518 -8.891 0.236 1.00 0.00 H new ATOM 185 N GLU A 12 -4.703 -9.030 2.178 1.00 0.00 N ATOM 186 CA GLU A 12 -5.032 -7.695 2.675 1.00 0.00 C ATOM 187 C GLU A 12 -4.416 -6.608 1.797 1.00 0.00 C ATOM 188 O GLU A 12 -3.204 -6.575 1.593 1.00 0.00 O ATOM 189 CB GLU A 12 -4.547 -7.541 4.117 1.00 0.00 C ATOM 190 CG GLU A 12 -5.553 -8.033 5.146 1.00 0.00 C ATOM 191 CD GLU A 12 -4.910 -8.854 6.245 1.00 0.00 C ATOM 192 OE1 GLU A 12 -3.870 -8.420 6.782 1.00 0.00 O ATOM 193 OE2 GLU A 12 -5.448 -9.935 6.571 1.00 0.00 O ATOM 0 H GLU A 12 -3.807 -9.392 2.504 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.115 -7.580 2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.614 -8.091 4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.326 -6.491 4.308 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.063 -7.177 5.588 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.313 -8.634 4.647 1.00 0.00 H new ATOM 200 N ILE A 13 -5.260 -5.716 1.283 1.00 0.00 N ATOM 201 CA ILE A 13 -4.798 -4.623 0.431 1.00 0.00 C ATOM 202 C ILE A 13 -5.406 -3.293 0.860 1.00 0.00 C ATOM 203 O ILE A 13 -6.602 -3.207 1.142 1.00 0.00 O ATOM 204 CB ILE A 13 -5.146 -4.870 -1.053 1.00 0.00 C ATOM 205 CG1 ILE A 13 -4.627 -6.234 -1.507 1.00 0.00 C ATOM 206 CG2 ILE A 13 -4.571 -3.763 -1.926 1.00 0.00 C ATOM 207 CD1 ILE A 13 -5.667 -7.058 -2.233 1.00 0.00 C ATOM 0 H ILE A 13 -6.267 -5.729 1.442 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.714 -4.582 0.542 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.231 -4.864 -1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.767 -6.089 -2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.276 -6.789 -0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.826 -3.953 -2.969 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.988 -2.804 -1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.487 -3.739 -1.816 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.233 -8.014 -2.528 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.517 -7.233 -1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.001 -6.522 -3.121 1.00 0.00 H new ATOM 219 N CYS A 14 -4.576 -2.256 0.901 1.00 0.00 N ATOM 220 CA CYS A 14 -5.034 -0.927 1.288 1.00 0.00 C ATOM 221 C CYS A 14 -4.471 0.135 0.350 1.00 0.00 C ATOM 222 O CYS A 14 -3.327 0.043 -0.095 1.00 0.00 O ATOM 223 CB CYS A 14 -4.624 -0.621 2.728 1.00 0.00 C ATOM 224 SG CYS A 14 -2.838 -0.571 2.996 1.00 0.00 S ATOM 0 H CYS A 14 -3.584 -2.310 0.671 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.122 -0.910 1.218 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.051 0.339 3.019 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.058 -1.375 3.385 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.488 -1.554 3.771 1.00 0.00 H new ATOM 230 N CYS A 15 -5.283 1.144 0.054 1.00 0.00 N ATOM 231 CA CYS A 15 -4.869 2.226 -0.830 1.00 0.00 C ATOM 232 C CYS A 15 -4.614 3.506 -0.042 1.00 0.00 C ATOM 233 O CYS A 15 -5.547 4.133 0.461 1.00 0.00 O ATOM 234 CB CYS A 15 -5.934 2.474 -1.900 1.00 0.00 C ATOM 235 SG CYS A 15 -7.608 2.664 -1.242 1.00 0.00 S ATOM 0 H CYS A 15 -6.233 1.235 0.414 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.939 1.930 -1.315 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.670 3.372 -2.459 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.924 1.644 -2.607 1.00 0.00 H new ATOM 0 HG CYS A 15 -7.574 3.412 -0.180 1.00 0.00 H new ATOM 241 N TYR A 16 -3.346 3.888 0.064 1.00 0.00 N ATOM 242 CA TYR A 16 -2.969 5.093 0.793 1.00 0.00 C ATOM 243 C TYR A 16 -2.859 6.289 -0.148 1.00 0.00 C ATOM 244 O TYR A 16 -1.880 6.425 -0.881 1.00 0.00 O ATOM 245 CB TYR A 16 -1.640 4.878 1.521 1.00 0.00 C ATOM 246 CG TYR A 16 -1.592 5.506 2.896 1.00 0.00 C ATOM 247 CD1 TYR A 16 -2.203 4.892 3.982 1.00 0.00 C ATOM 248 CD2 TYR A 16 -0.936 6.712 3.107 1.00 0.00 C ATOM 249 CE1 TYR A 16 -2.162 5.463 5.240 1.00 0.00 C ATOM 250 CE2 TYR A 16 -0.890 7.288 4.362 1.00 0.00 C ATOM 251 CZ TYR A 16 -1.503 6.660 5.425 1.00 0.00 C ATOM 252 OH TYR A 16 -1.460 7.231 6.676 1.00 0.00 O ATOM 0 H TYR A 16 -2.562 3.380 -0.346 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.748 5.302 1.526 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.455 3.808 1.613 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.833 5.290 0.915 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.718 3.953 3.841 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.454 7.207 2.277 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.644 4.974 6.074 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.376 8.226 4.510 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.957 8.071 6.635 1.00 0.00 H new ATOM 262 N GLY A 17 -3.867 7.156 -0.118 1.00 0.00 N ATOM 263 CA GLY A 17 -3.861 8.330 -0.971 1.00 0.00 C ATOM 264 C GLY A 17 -5.116 8.444 -1.818 1.00 0.00 C ATOM 265 O GLY A 17 -5.839 7.464 -1.995 1.00 0.00 O ATOM 0 H GLY A 17 -4.687 7.066 0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.762 9.223 -0.353 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.989 8.296 -1.624 1.00 0.00 H new ATOM 269 N PRO A 18 -5.402 9.642 -2.358 1.00 0.00 N ATOM 270 CA PRO A 18 -6.583 9.873 -3.191 1.00 0.00 C ATOM 271 C PRO A 18 -6.405 9.357 -4.618 1.00 0.00 C ATOM 272 O PRO A 18 -7.377 9.208 -5.358 1.00 0.00 O ATOM 273 CB PRO A 18 -6.713 11.394 -3.187 1.00 0.00 C ATOM 274 CG PRO A 18 -5.313 11.886 -3.042 1.00 0.00 C ATOM 275 CD PRO A 18 -4.594 10.867 -2.196 1.00 0.00 C ATOM 0 HA PRO A 18 -7.460 9.349 -2.812 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.168 11.756 -4.109 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.342 11.737 -2.365 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.835 11.991 -4.016 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.293 12.868 -2.570 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.569 10.718 -2.535 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.543 11.178 -1.152 1.00 0.00 H new ATOM 283 N PHE A 19 -5.157 9.089 -4.998 1.00 0.00 N ATOM 284 CA PHE A 19 -4.850 8.593 -6.336 1.00 0.00 C ATOM 285 C PHE A 19 -5.222 9.621 -7.399 1.00 0.00 C ATOM 286 O PHE A 19 -4.363 10.347 -7.901 1.00 0.00 O ATOM 287 CB PHE A 19 -5.579 7.272 -6.598 1.00 0.00 C ATOM 288 CG PHE A 19 -4.944 6.091 -5.922 1.00 0.00 C ATOM 289 CD1 PHE A 19 -4.701 6.107 -4.558 1.00 0.00 C ATOM 290 CD2 PHE A 19 -4.591 4.966 -6.648 1.00 0.00 C ATOM 291 CE1 PHE A 19 -4.118 5.022 -3.931 1.00 0.00 C ATOM 292 CE2 PHE A 19 -4.007 3.877 -6.027 1.00 0.00 C ATOM 293 CZ PHE A 19 -3.770 3.906 -4.668 1.00 0.00 C ATOM 0 H PHE A 19 -4.342 9.208 -4.396 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.776 8.418 -6.392 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.611 7.363 -6.259 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.611 7.091 -7.672 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.970 6.977 -3.978 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.774 4.939 -7.712 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.935 5.046 -2.867 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.737 3.005 -6.605 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.313 3.057 -4.181 1.00 0.00 H new ATOM 376 N ASP A 25 -12.639 3.800 -2.395 1.00 0.00 N ATOM 377 CA ASP A 25 -13.691 2.818 -2.162 1.00 0.00 C ATOM 378 C ASP A 25 -13.842 1.906 -3.370 1.00 0.00 C ATOM 379 O ASP A 25 -14.282 0.763 -3.252 1.00 0.00 O ATOM 380 CB ASP A 25 -15.017 3.518 -1.863 1.00 0.00 C ATOM 381 CG ASP A 25 -14.920 4.461 -0.681 1.00 0.00 C ATOM 382 OD1 ASP A 25 -14.684 3.977 0.446 1.00 0.00 O ATOM 383 OD2 ASP A 25 -15.082 5.683 -0.881 1.00 0.00 O ATOM 0 HA ASP A 25 -13.412 2.213 -1.299 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -15.337 4.075 -2.743 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -15.783 2.769 -1.664 1.00 0.00 H new ATOM 388 N GLN A 26 -13.469 2.422 -4.532 1.00 0.00 N ATOM 389 CA GLN A 26 -13.552 1.664 -5.768 1.00 0.00 C ATOM 390 C GLN A 26 -12.410 0.659 -5.857 1.00 0.00 C ATOM 391 O GLN A 26 -12.559 -0.415 -6.438 1.00 0.00 O ATOM 392 CB GLN A 26 -13.518 2.616 -6.963 1.00 0.00 C ATOM 393 CG GLN A 26 -14.483 2.238 -8.072 1.00 0.00 C ATOM 394 CD GLN A 26 -14.079 2.810 -9.417 1.00 0.00 C ATOM 395 OE1 GLN A 26 -14.515 3.896 -9.798 1.00 0.00 O ATOM 396 NE2 GLN A 26 -13.240 2.081 -10.143 1.00 0.00 N ATOM 0 H GLN A 26 -13.104 3.368 -4.643 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.493 1.113 -5.780 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -13.750 3.624 -6.620 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -12.506 2.642 -7.367 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -14.539 1.152 -8.145 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.482 2.592 -7.816 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -12.903 1.186 -9.788 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.932 2.416 -11.056 1.00 0.00 H new ATOM 405 N LEU A 27 -11.272 1.013 -5.271 1.00 0.00 N ATOM 406 CA LEU A 27 -10.107 0.140 -5.276 1.00 0.00 C ATOM 407 C LEU A 27 -10.296 -1.009 -4.294 1.00 0.00 C ATOM 408 O LEU A 27 -10.042 -2.168 -4.624 1.00 0.00 O ATOM 409 CB LEU A 27 -8.844 0.929 -4.924 1.00 0.00 C ATOM 410 CG LEU A 27 -7.533 0.303 -5.404 1.00 0.00 C ATOM 411 CD1 LEU A 27 -7.594 0.020 -6.898 1.00 0.00 C ATOM 412 CD2 LEU A 27 -6.355 1.212 -5.076 1.00 0.00 C ATOM 0 H LEU A 27 -11.132 1.900 -4.786 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.994 -0.272 -6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.928 1.929 -5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.798 1.046 -3.841 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.390 -0.643 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.653 -0.425 -7.223 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.412 -0.670 -7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.760 0.952 -7.438 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.431 0.750 -5.425 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.489 2.174 -5.570 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.301 1.363 -3.998 1.00 0.00 H new ATOM 424 N GLU A 28 -10.752 -0.684 -3.087 1.00 0.00 N ATOM 425 CA GLU A 28 -10.982 -1.700 -2.069 1.00 0.00 C ATOM 426 C GLU A 28 -12.092 -2.649 -2.504 1.00 0.00 C ATOM 427 O GLU A 28 -12.119 -3.813 -2.105 1.00 0.00 O ATOM 428 CB GLU A 28 -11.319 -1.054 -0.726 1.00 0.00 C ATOM 429 CG GLU A 28 -12.537 -0.147 -0.770 1.00 0.00 C ATOM 430 CD GLU A 28 -13.536 -0.457 0.327 1.00 0.00 C ATOM 431 OE1 GLU A 28 -13.127 -1.023 1.363 1.00 0.00 O ATOM 432 OE2 GLU A 28 -14.730 -0.134 0.152 1.00 0.00 O ATOM 0 H GLU A 28 -10.968 0.269 -2.793 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.065 -2.277 -1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.488 -1.838 0.012 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.460 -0.476 -0.385 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.216 0.891 -0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.025 -0.247 -1.739 1.00 0.00 H new ATOM 439 N TRP A 29 -13.002 -2.152 -3.335 1.00 0.00 N ATOM 440 CA TRP A 29 -14.095 -2.973 -3.833 1.00 0.00 C ATOM 441 C TRP A 29 -13.553 -4.037 -4.779 1.00 0.00 C ATOM 442 O TRP A 29 -13.844 -5.223 -4.637 1.00 0.00 O ATOM 443 CB TRP A 29 -15.129 -2.097 -4.551 1.00 0.00 C ATOM 444 CG TRP A 29 -15.969 -2.845 -5.542 1.00 0.00 C ATOM 445 CD1 TRP A 29 -16.899 -3.801 -5.265 1.00 0.00 C ATOM 446 CD2 TRP A 29 -15.947 -2.706 -6.968 1.00 0.00 C ATOM 447 NE1 TRP A 29 -17.466 -4.261 -6.429 1.00 0.00 N ATOM 448 CE2 TRP A 29 -16.898 -3.604 -7.489 1.00 0.00 C ATOM 449 CE3 TRP A 29 -15.220 -1.906 -7.855 1.00 0.00 C ATOM 450 CZ2 TRP A 29 -17.140 -3.724 -8.855 1.00 0.00 C ATOM 451 CZ3 TRP A 29 -15.460 -2.028 -9.211 1.00 0.00 C ATOM 452 CH2 TRP A 29 -16.413 -2.930 -9.699 1.00 0.00 C ATOM 0 H TRP A 29 -13.003 -1.190 -3.675 1.00 0.00 H new ATOM 0 HA TRP A 29 -14.583 -3.465 -2.992 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -15.782 -1.638 -3.808 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -14.612 -1.287 -5.065 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -17.154 -4.147 -4.274 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -18.191 -4.975 -6.494 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -14.485 -1.206 -7.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -17.875 -4.419 -9.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -14.903 -1.417 -9.906 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -16.578 -3.000 -10.764 1.00 0.00 H new ATOM 463 N MET A 30 -12.760 -3.590 -5.742 1.00 0.00 N ATOM 464 CA MET A 30 -12.162 -4.488 -6.723 1.00 0.00 C ATOM 465 C MET A 30 -11.379 -5.600 -6.034 1.00 0.00 C ATOM 466 O MET A 30 -11.545 -6.778 -6.358 1.00 0.00 O ATOM 467 CB MET A 30 -11.249 -3.707 -7.669 1.00 0.00 C ATOM 468 CG MET A 30 -11.998 -2.771 -8.604 1.00 0.00 C ATOM 469 SD MET A 30 -10.949 -2.118 -9.917 1.00 0.00 S ATOM 470 CE MET A 30 -10.063 -0.834 -9.038 1.00 0.00 C ATOM 0 H MET A 30 -12.514 -2.608 -5.866 1.00 0.00 H new ATOM 0 HA MET A 30 -12.965 -4.943 -7.303 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.540 -3.126 -7.079 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.667 -4.412 -8.263 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.840 -3.303 -9.047 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.412 -1.943 -8.029 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.947 0.036 -9.684 1.00 0.00 H new ATOM 0 HE2 MET A 30 -10.622 -0.552 -8.146 1.00 0.00 H new ATOM 0 HE3 MET A 30 -9.080 -1.204 -8.748 1.00 0.00 H new ATOM 480 N VAL A 31 -10.534 -5.231 -5.072 1.00 0.00 N ATOM 481 CA VAL A 31 -9.749 -6.221 -4.345 1.00 0.00 C ATOM 482 C VAL A 31 -10.671 -7.196 -3.624 1.00 0.00 C ATOM 483 O VAL A 31 -10.470 -8.409 -3.671 1.00 0.00 O ATOM 484 CB VAL A 31 -8.800 -5.569 -3.320 1.00 0.00 C ATOM 485 CG1 VAL A 31 -7.720 -4.760 -4.019 1.00 0.00 C ATOM 486 CG2 VAL A 31 -9.571 -4.698 -2.349 1.00 0.00 C ATOM 0 H VAL A 31 -10.378 -4.265 -4.782 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.143 -6.751 -5.079 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.317 -6.367 -2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.063 -4.310 -3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.138 -5.414 -4.668 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.183 -3.975 -4.616 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.880 -4.249 -1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.088 -3.911 -2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.300 -5.307 -1.814 1.00 0.00 H new ATOM 496 N GLN A 32 -11.696 -6.654 -2.973 1.00 0.00 N ATOM 497 CA GLN A 32 -12.668 -7.472 -2.256 1.00 0.00 C ATOM 498 C GLN A 32 -13.326 -8.460 -3.211 1.00 0.00 C ATOM 499 O GLN A 32 -13.660 -9.583 -2.834 1.00 0.00 O ATOM 500 CB GLN A 32 -13.731 -6.585 -1.604 1.00 0.00 C ATOM 501 CG GLN A 32 -14.375 -7.207 -0.376 1.00 0.00 C ATOM 502 CD GLN A 32 -14.955 -6.171 0.566 1.00 0.00 C ATOM 503 OE1 GLN A 32 -15.369 -5.091 0.142 1.00 0.00 O ATOM 504 NE2 GLN A 32 -14.989 -6.494 1.854 1.00 0.00 N ATOM 0 H GLN A 32 -11.875 -5.651 -2.927 1.00 0.00 H new ATOM 0 HA GLN A 32 -12.149 -8.027 -1.475 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.277 -5.635 -1.323 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -14.506 -6.363 -2.337 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -15.165 -7.889 -0.691 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -13.633 -7.802 0.157 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.635 -7.400 2.162 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -15.369 -5.836 2.535 1.00 0.00 H new ATOM 513 N LEU A 33 -13.494 -8.029 -4.456 1.00 0.00 N ATOM 514 CA LEU A 33 -14.096 -8.862 -5.490 1.00 0.00 C ATOM 515 C LEU A 33 -13.159 -10.005 -5.878 1.00 0.00 C ATOM 516 O LEU A 33 -13.593 -11.019 -6.424 1.00 0.00 O ATOM 517 CB LEU A 33 -14.424 -8.011 -6.719 1.00 0.00 C ATOM 518 CG LEU A 33 -15.352 -8.670 -7.740 1.00 0.00 C ATOM 519 CD1 LEU A 33 -16.596 -9.217 -7.058 1.00 0.00 C ATOM 520 CD2 LEU A 33 -15.732 -7.679 -8.829 1.00 0.00 C ATOM 0 H LEU A 33 -13.219 -7.100 -4.775 1.00 0.00 H new ATOM 0 HA LEU A 33 -15.017 -9.292 -5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.881 -7.080 -6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -13.491 -7.747 -7.217 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.821 -9.503 -8.201 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.244 -9.682 -7.801 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.306 -9.959 -6.314 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -17.131 -8.403 -6.569 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -16.393 -8.164 -9.548 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -16.244 -6.827 -8.383 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.832 -7.335 -9.338 1.00 0.00 H new ATOM 532 N CYS A 34 -11.872 -9.826 -5.598 1.00 0.00 N ATOM 533 CA CYS A 34 -10.863 -10.830 -5.921 1.00 0.00 C ATOM 534 C CYS A 34 -10.608 -11.773 -4.743 1.00 0.00 C ATOM 535 O CYS A 34 -9.824 -12.715 -4.857 1.00 0.00 O ATOM 536 CB CYS A 34 -9.557 -10.149 -6.334 1.00 0.00 C ATOM 537 SG CYS A 34 -9.447 -9.772 -8.099 1.00 0.00 S ATOM 0 H CYS A 34 -11.501 -8.990 -5.146 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.242 -11.425 -6.752 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.448 -9.224 -5.768 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -8.721 -10.792 -6.058 1.00 0.00 H new ATOM 0 HG CYS A 34 -10.225 -10.574 -8.763 1.00 0.00 H new ATOM 543 N GLY A 35 -11.264 -11.514 -3.612 1.00 0.00 N ATOM 544 CA GLY A 35 -11.086 -12.353 -2.440 1.00 0.00 C ATOM 545 C GLY A 35 -10.351 -11.639 -1.324 1.00 0.00 C ATOM 546 O GLY A 35 -10.563 -11.924 -0.145 1.00 0.00 O ATOM 0 H GLY A 35 -11.915 -10.738 -3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.061 -12.679 -2.079 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.533 -13.250 -2.719 1.00 0.00 H new ATOM 550 N ALA A 36 -9.484 -10.710 -1.701 1.00 0.00 N ATOM 551 CA ALA A 36 -8.705 -9.946 -0.736 1.00 0.00 C ATOM 552 C ALA A 36 -9.605 -9.193 0.236 1.00 0.00 C ATOM 553 O ALA A 36 -10.761 -8.904 -0.068 1.00 0.00 O ATOM 554 CB ALA A 36 -7.795 -8.971 -1.465 1.00 0.00 C ATOM 0 H ALA A 36 -9.301 -10.466 -2.674 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.102 -10.646 -0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.215 -8.402 -0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.119 -9.523 -2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.398 -8.288 -2.063 1.00 0.00 H new ATOM 560 N SER A 37 -9.061 -8.866 1.402 1.00 0.00 N ATOM 561 CA SER A 37 -9.805 -8.132 2.414 1.00 0.00 C ATOM 562 C SER A 37 -9.428 -6.654 2.371 1.00 0.00 C ATOM 563 O SER A 37 -8.247 -6.309 2.332 1.00 0.00 O ATOM 564 CB SER A 37 -9.526 -8.707 3.805 1.00 0.00 C ATOM 565 OG SER A 37 -10.715 -9.188 4.406 1.00 0.00 O ATOM 0 H SER A 37 -8.105 -9.099 1.669 1.00 0.00 H new ATOM 0 HA SER A 37 -10.870 -8.232 2.205 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.800 -9.517 3.728 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.081 -7.939 4.437 1.00 0.00 H new ATOM 0 HG SER A 37 -10.510 -9.552 5.293 1.00 0.00 H new ATOM 571 N VAL A 38 -10.432 -5.787 2.372 1.00 0.00 N ATOM 572 CA VAL A 38 -10.189 -4.352 2.324 1.00 0.00 C ATOM 573 C VAL A 38 -9.623 -3.851 3.650 1.00 0.00 C ATOM 574 O VAL A 38 -10.290 -3.899 4.684 1.00 0.00 O ATOM 575 CB VAL A 38 -11.477 -3.574 1.978 1.00 0.00 C ATOM 576 CG1 VAL A 38 -12.089 -4.110 0.692 1.00 0.00 C ATOM 577 CG2 VAL A 38 -12.483 -3.647 3.119 1.00 0.00 C ATOM 0 H VAL A 38 -11.417 -6.051 2.405 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.457 -4.174 1.537 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.212 -2.527 1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.996 -3.552 0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.376 -3.998 -0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.334 -5.165 0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.381 -3.091 2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.744 -4.688 3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -12.045 -3.214 4.018 1.00 0.00 H new ATOM 587 N VAL A 39 -8.380 -3.380 3.613 1.00 0.00 N ATOM 588 CA VAL A 39 -7.716 -2.880 4.808 1.00 0.00 C ATOM 589 C VAL A 39 -7.755 -1.356 4.855 1.00 0.00 C ATOM 590 O VAL A 39 -7.224 -0.682 3.973 1.00 0.00 O ATOM 591 CB VAL A 39 -6.257 -3.366 4.868 1.00 0.00 C ATOM 592 CG1 VAL A 39 -5.614 -2.989 6.189 1.00 0.00 C ATOM 593 CG2 VAL A 39 -6.190 -4.869 4.650 1.00 0.00 C ATOM 0 H VAL A 39 -7.813 -3.335 2.766 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.253 -3.271 5.672 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.701 -2.874 4.070 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.583 -3.344 6.206 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.627 -1.905 6.304 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.169 -3.447 7.008 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.152 -5.197 4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.765 -5.375 5.426 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.606 -5.114 3.672 1.00 0.00 H new ATOM 603 N LYS A 40 -8.406 -0.820 5.883 1.00 0.00 N ATOM 604 CA LYS A 40 -8.540 0.624 6.045 1.00 0.00 C ATOM 605 C LYS A 40 -7.187 1.306 6.209 1.00 0.00 C ATOM 606 O LYS A 40 -6.912 2.321 5.569 1.00 0.00 O ATOM 607 CB LYS A 40 -9.429 0.941 7.249 1.00 0.00 C ATOM 608 CG LYS A 40 -10.140 2.280 7.143 1.00 0.00 C ATOM 609 CD LYS A 40 -11.175 2.276 6.028 1.00 0.00 C ATOM 610 CE LYS A 40 -10.703 3.078 4.826 1.00 0.00 C ATOM 611 NZ LYS A 40 -10.773 4.544 5.073 1.00 0.00 N ATOM 0 H LYS A 40 -8.851 -1.367 6.620 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.002 1.012 5.137 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.173 0.152 7.359 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.819 0.933 8.153 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.626 2.511 8.091 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.409 3.068 6.959 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.380 1.249 5.724 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.112 2.692 6.399 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.677 2.799 4.584 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.314 2.827 3.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.459 5.055 4.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.753 4.812 5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.156 4.791 5.873 1.00 0.00 H new ATOM 625 N GLU A 41 -6.348 0.754 7.075 1.00 0.00 N ATOM 626 CA GLU A 41 -5.030 1.328 7.326 1.00 0.00 C ATOM 627 C GLU A 41 -3.947 0.255 7.334 1.00 0.00 C ATOM 628 O GLU A 41 -4.237 -0.939 7.314 1.00 0.00 O ATOM 629 CB GLU A 41 -5.026 2.081 8.656 1.00 0.00 C ATOM 630 CG GLU A 41 -5.924 3.306 8.664 1.00 0.00 C ATOM 631 CD GLU A 41 -6.770 3.402 9.919 1.00 0.00 C ATOM 632 OE1 GLU A 41 -6.193 3.569 11.013 1.00 0.00 O ATOM 633 OE2 GLU A 41 -8.011 3.310 9.807 1.00 0.00 O ATOM 0 H GLU A 41 -6.554 -0.087 7.614 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.811 2.024 6.516 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.343 1.403 9.449 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.006 2.387 8.888 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.310 4.202 8.575 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.577 3.279 7.792 1.00 0.00 H new ATOM 640 N LEU A 42 -2.694 0.697 7.369 1.00 0.00 N ATOM 641 CA LEU A 42 -1.558 -0.218 7.384 1.00 0.00 C ATOM 642 C LEU A 42 -1.538 -1.037 8.669 1.00 0.00 C ATOM 643 O LEU A 42 -1.322 -2.249 8.643 1.00 0.00 O ATOM 644 CB LEU A 42 -0.247 0.559 7.238 1.00 0.00 C ATOM 645 CG LEU A 42 -0.224 1.591 6.107 1.00 0.00 C ATOM 646 CD1 LEU A 42 0.847 2.641 6.365 1.00 0.00 C ATOM 647 CD2 LEU A 42 0.004 0.907 4.766 1.00 0.00 C ATOM 0 H LEU A 42 -2.439 1.685 7.388 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.662 -0.901 6.541 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.039 1.069 8.178 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.563 -0.153 7.076 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.192 2.091 6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.849 3.366 5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.637 3.151 7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.823 2.159 6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.017 1.655 3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.958 0.380 4.784 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.800 0.195 4.579 1.00 0.00 H new ATOM 659 N SER A 43 -1.765 -0.368 9.795 1.00 0.00 N ATOM 660 CA SER A 43 -1.774 -1.035 11.091 1.00 0.00 C ATOM 661 C SER A 43 -2.858 -2.107 11.146 1.00 0.00 C ATOM 662 O SER A 43 -2.740 -3.084 11.886 1.00 0.00 O ATOM 663 CB SER A 43 -1.991 -0.016 12.211 1.00 0.00 C ATOM 664 OG SER A 43 -0.815 0.737 12.452 1.00 0.00 O ATOM 0 H SER A 43 -1.945 0.635 9.836 1.00 0.00 H new ATOM 0 HA SER A 43 -0.806 -1.517 11.229 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.807 0.655 11.943 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.289 -0.532 13.124 1.00 0.00 H new ATOM 0 HG SER A 43 -0.981 1.382 13.171 1.00 0.00 H new ATOM 670 N SER A 44 -3.913 -1.918 10.360 1.00 0.00 N ATOM 671 CA SER A 44 -5.018 -2.869 10.320 1.00 0.00 C ATOM 672 C SER A 44 -4.535 -4.259 9.911 1.00 0.00 C ATOM 673 O SER A 44 -5.177 -5.262 10.217 1.00 0.00 O ATOM 674 CB SER A 44 -6.100 -2.382 9.352 1.00 0.00 C ATOM 675 OG SER A 44 -7.305 -2.091 10.039 1.00 0.00 O ATOM 0 H SER A 44 -4.026 -1.115 9.742 1.00 0.00 H new ATOM 0 HA SER A 44 -5.440 -2.938 11.323 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.751 -1.491 8.830 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.284 -3.144 8.594 1.00 0.00 H new ATOM 0 HG SER A 44 -7.979 -1.780 9.399 1.00 0.00 H new ATOM 681 N PHE A 45 -3.399 -4.312 9.218 1.00 0.00 N ATOM 682 CA PHE A 45 -2.834 -5.581 8.769 1.00 0.00 C ATOM 683 C PHE A 45 -2.673 -6.550 9.938 1.00 0.00 C ATOM 684 O PHE A 45 -2.013 -6.238 10.929 1.00 0.00 O ATOM 685 CB PHE A 45 -1.480 -5.353 8.095 1.00 0.00 C ATOM 686 CG PHE A 45 -1.577 -4.687 6.751 1.00 0.00 C ATOM 687 CD1 PHE A 45 -2.545 -5.072 5.837 1.00 0.00 C ATOM 688 CD2 PHE A 45 -0.697 -3.674 6.402 1.00 0.00 C ATOM 689 CE1 PHE A 45 -2.633 -4.461 4.600 1.00 0.00 C ATOM 690 CE2 PHE A 45 -0.781 -3.059 5.167 1.00 0.00 C ATOM 691 CZ PHE A 45 -1.750 -3.453 4.266 1.00 0.00 C ATOM 0 H PHE A 45 -2.853 -3.491 8.956 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.523 -6.019 8.047 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.857 -4.742 8.749 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.976 -6.312 7.979 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.239 -5.859 6.094 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.063 -3.362 7.103 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.391 -4.771 3.896 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.089 -2.271 4.907 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.817 -2.973 3.301 1.00 0.00 H new ATOM 762 N VAL A 51 -3.423 -14.838 5.352 1.00 0.00 N ATOM 763 CA VAL A 51 -3.651 -13.496 4.827 1.00 0.00 C ATOM 764 C VAL A 51 -2.335 -12.749 4.636 1.00 0.00 C ATOM 765 O VAL A 51 -1.597 -12.518 5.594 1.00 0.00 O ATOM 766 CB VAL A 51 -4.568 -12.674 5.751 1.00 0.00 C ATOM 767 CG1 VAL A 51 -6.011 -13.133 5.619 1.00 0.00 C ATOM 768 CG2 VAL A 51 -4.101 -12.772 7.196 1.00 0.00 C ATOM 0 HA VAL A 51 -4.141 -13.616 3.861 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.514 -11.629 5.446 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.643 -12.540 6.280 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.341 -13.003 4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.085 -14.185 5.894 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.762 -12.184 7.833 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.122 -13.814 7.515 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.084 -12.388 7.277 1.00 0.00 H new ATOM 778 N HIS A 52 -2.048 -12.374 3.393 1.00 0.00 N ATOM 779 CA HIS A 52 -0.821 -11.652 3.077 1.00 0.00 C ATOM 780 C HIS A 52 -1.067 -10.145 3.049 1.00 0.00 C ATOM 781 O HIS A 52 -2.052 -9.681 2.472 1.00 0.00 O ATOM 782 CB HIS A 52 -0.267 -12.116 1.727 1.00 0.00 C ATOM 783 CG HIS A 52 1.209 -11.913 1.585 1.00 0.00 C ATOM 784 ND1 HIS A 52 1.924 -10.821 1.223 1.00 0.00 N flip ATOM 785 CD2 HIS A 52 2.133 -12.910 1.825 1.00 0.00 C flip ATOM 786 CE1 HIS A 52 3.250 -11.175 1.251 1.00 0.00 C flip ATOM 787 NE2 HIS A 52 3.349 -12.439 1.618 1.00 0.00 N flip ATOM 0 H HIS A 52 -2.648 -12.558 2.589 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.090 -11.867 3.856 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.495 -13.174 1.594 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.778 -11.577 0.929 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.898 -13.918 2.134 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.078 -10.525 1.011 1.00 0.00 H new ATOM 0 HE2 HIS A 52 4.218 -12.963 1.724 1.00 0.00 H new ATOM 796 N PRO A 53 -0.176 -9.355 3.674 1.00 0.00 N ATOM 797 CA PRO A 53 -0.306 -7.898 3.716 1.00 0.00 C ATOM 798 C PRO A 53 0.185 -7.230 2.436 1.00 0.00 C ATOM 799 O PRO A 53 1.320 -7.442 2.012 1.00 0.00 O ATOM 800 CB PRO A 53 0.585 -7.513 4.895 1.00 0.00 C ATOM 801 CG PRO A 53 1.660 -8.544 4.897 1.00 0.00 C ATOM 802 CD PRO A 53 1.030 -9.818 4.392 1.00 0.00 C ATOM 0 HA PRO A 53 -1.344 -7.579 3.816 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.996 -6.511 4.773 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.028 -7.517 5.832 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.489 -8.241 4.258 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.064 -8.682 5.900 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.704 -10.363 3.731 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.774 -10.490 5.211 1.00 0.00 H new ATOM 810 N ILE A 54 -0.678 -6.420 1.829 1.00 0.00 N ATOM 811 CA ILE A 54 -0.335 -5.715 0.598 1.00 0.00 C ATOM 812 C ILE A 54 -0.771 -4.252 0.672 1.00 0.00 C ATOM 813 O ILE A 54 -1.764 -3.922 1.318 1.00 0.00 O ATOM 814 CB ILE A 54 -0.992 -6.376 -0.632 1.00 0.00 C ATOM 815 CG1 ILE A 54 -0.621 -7.861 -0.706 1.00 0.00 C ATOM 816 CG2 ILE A 54 -0.581 -5.656 -1.908 1.00 0.00 C ATOM 817 CD1 ILE A 54 0.841 -8.115 -0.998 1.00 0.00 C ATOM 0 H ILE A 54 -1.621 -6.236 2.170 1.00 0.00 H new ATOM 0 HA ILE A 54 0.748 -5.767 0.489 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.074 -6.298 -0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.880 -8.337 0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.224 -8.338 -1.479 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.054 -6.136 -2.765 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.897 -4.614 -1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.502 -5.702 -2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.024 -9.189 -1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.103 -7.670 -1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.452 -7.670 -0.213 1.00 0.00 H new ATOM 829 N VAL A 55 -0.017 -3.382 0.009 1.00 0.00 N ATOM 830 CA VAL A 55 -0.318 -1.954 0.000 1.00 0.00 C ATOM 831 C VAL A 55 -0.409 -1.415 -1.422 1.00 0.00 C ATOM 832 O VAL A 55 0.221 -1.941 -2.339 1.00 0.00 O ATOM 833 CB VAL A 55 0.736 -1.153 0.785 1.00 0.00 C ATOM 834 CG1 VAL A 55 0.398 0.331 0.783 1.00 0.00 C ATOM 835 CG2 VAL A 55 0.846 -1.676 2.209 1.00 0.00 C ATOM 0 H VAL A 55 0.809 -3.641 -0.530 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.286 -1.833 0.486 1.00 0.00 H new ATOM 0 HB VAL A 55 1.701 -1.281 0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.156 0.878 1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.372 0.697 -0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.576 0.483 1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.595 -1.100 2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.118 -1.578 2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.140 -2.725 2.189 1.00 0.00 H new ATOM 845 N VAL A 56 -1.201 -0.363 -1.602 1.00 0.00 N ATOM 846 CA VAL A 56 -1.368 0.248 -2.913 1.00 0.00 C ATOM 847 C VAL A 56 -1.016 1.731 -2.871 1.00 0.00 C ATOM 848 O VAL A 56 -1.473 2.462 -1.991 1.00 0.00 O ATOM 849 CB VAL A 56 -2.805 0.086 -3.440 1.00 0.00 C ATOM 850 CG1 VAL A 56 -2.893 0.509 -4.899 1.00 0.00 C ATOM 851 CG2 VAL A 56 -3.280 -1.348 -3.263 1.00 0.00 C ATOM 0 H VAL A 56 -1.736 0.083 -0.857 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.688 -0.270 -3.590 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.459 0.736 -2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.917 0.387 -5.252 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.599 1.554 -4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.226 -0.111 -5.498 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.298 -1.443 -3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.623 -2.020 -3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.260 -1.610 -2.205 1.00 0.00 H new ATOM 861 N VAL A 57 -0.195 2.170 -3.820 1.00 0.00 N ATOM 862 CA VAL A 57 0.222 3.566 -3.881 1.00 0.00 C ATOM 863 C VAL A 57 0.340 4.053 -5.321 1.00 0.00 C ATOM 864 O VAL A 57 1.119 3.513 -6.108 1.00 0.00 O ATOM 865 CB VAL A 57 1.572 3.777 -3.173 1.00 0.00 C ATOM 866 CG1 VAL A 57 1.397 3.740 -1.663 1.00 0.00 C ATOM 867 CG2 VAL A 57 2.581 2.733 -3.627 1.00 0.00 C ATOM 0 H VAL A 57 0.194 1.580 -4.556 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.549 4.143 -3.371 1.00 0.00 H new ATOM 0 HB VAL A 57 1.954 4.761 -3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.363 3.891 -1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.711 4.530 -1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.991 2.772 -1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.530 2.898 -3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.208 1.738 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.730 2.815 -4.704 1.00 0.00 H new ATOM 877 N GLN A 58 -0.432 5.080 -5.659 1.00 0.00 N ATOM 878 CA GLN A 58 -0.412 5.645 -7.003 1.00 0.00 C ATOM 879 C GLN A 58 -0.519 7.168 -6.953 1.00 0.00 C ATOM 880 O GLN A 58 -1.612 7.725 -7.052 1.00 0.00 O ATOM 881 CB GLN A 58 -1.555 5.070 -7.840 1.00 0.00 C ATOM 882 CG GLN A 58 -1.264 5.048 -9.331 1.00 0.00 C ATOM 883 CD GLN A 58 -1.539 6.382 -9.998 1.00 0.00 C ATOM 884 OE1 GLN A 58 -0.619 7.070 -10.440 1.00 0.00 O ATOM 885 NE2 GLN A 58 -2.812 6.754 -10.076 1.00 0.00 N ATOM 0 H GLN A 58 -1.081 5.539 -5.019 1.00 0.00 H new ATOM 0 HA GLN A 58 0.537 5.378 -7.468 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.765 4.055 -7.504 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.456 5.658 -7.662 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.221 4.775 -9.490 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.871 4.277 -9.805 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.543 6.153 -9.696 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.058 7.641 -10.516 1.00 0.00 H new ATOM 894 N PRO A 59 0.621 7.863 -6.799 1.00 0.00 N ATOM 895 CA PRO A 59 0.649 9.329 -6.738 1.00 0.00 C ATOM 896 C PRO A 59 0.236 9.971 -8.057 1.00 0.00 C ATOM 897 O PRO A 59 0.676 9.551 -9.128 1.00 0.00 O ATOM 898 CB PRO A 59 2.112 9.650 -6.419 1.00 0.00 C ATOM 899 CG PRO A 59 2.876 8.459 -6.883 1.00 0.00 C ATOM 900 CD PRO A 59 1.969 7.280 -6.674 1.00 0.00 C ATOM 0 HA PRO A 59 -0.053 9.718 -6.000 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.439 10.554 -6.933 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.255 9.820 -5.352 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.153 8.557 -7.933 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.801 8.345 -6.319 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.142 6.503 -7.418 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.121 6.824 -5.696 1.00 0.00 H new ATOM 908 N ASP A 60 -0.612 10.991 -7.973 1.00 0.00 N ATOM 909 CA ASP A 60 -1.085 11.693 -9.161 1.00 0.00 C ATOM 910 C ASP A 60 -1.994 12.856 -8.779 1.00 0.00 C ATOM 911 O ASP A 60 -1.942 13.924 -9.389 1.00 0.00 O ATOM 912 CB ASP A 60 -1.832 10.730 -10.086 1.00 0.00 C ATOM 913 CG ASP A 60 -1.805 11.179 -11.534 1.00 0.00 C ATOM 914 OD1 ASP A 60 -0.719 11.567 -12.014 1.00 0.00 O ATOM 915 OD2 ASP A 60 -2.869 11.145 -12.186 1.00 0.00 O ATOM 0 H ASP A 60 -0.986 11.350 -7.095 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.217 12.090 -9.687 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.387 9.738 -10.008 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.867 10.642 -9.755 1.00 0.00 H new ATOM 1054 N ALA A 70 8.223 7.757 1.683 1.00 0.00 N ATOM 1055 CA ALA A 70 8.362 7.111 2.983 1.00 0.00 C ATOM 1056 C ALA A 70 7.253 6.088 3.208 1.00 0.00 C ATOM 1057 O ALA A 70 6.848 5.835 4.343 1.00 0.00 O ATOM 1058 CB ALA A 70 8.356 8.150 4.093 1.00 0.00 C ATOM 0 HA ALA A 70 9.316 6.585 2.999 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.460 7.653 5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.187 8.841 3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.417 8.702 4.069 1.00 0.00 H new ATOM 1064 N ILE A 71 6.765 5.502 2.119 1.00 0.00 N ATOM 1065 CA ILE A 71 5.703 4.506 2.199 1.00 0.00 C ATOM 1066 C ILE A 71 6.162 3.280 2.980 1.00 0.00 C ATOM 1067 O ILE A 71 5.402 2.708 3.760 1.00 0.00 O ATOM 1068 CB ILE A 71 5.233 4.061 0.798 1.00 0.00 C ATOM 1069 CG1 ILE A 71 5.061 5.270 -0.129 1.00 0.00 C ATOM 1070 CG2 ILE A 71 3.930 3.282 0.902 1.00 0.00 C ATOM 1071 CD1 ILE A 71 4.188 6.364 0.447 1.00 0.00 C ATOM 0 H ILE A 71 7.088 5.700 1.172 1.00 0.00 H new ATOM 0 HA ILE A 71 4.868 4.978 2.718 1.00 0.00 H new ATOM 0 HB ILE A 71 5.997 3.411 0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.043 5.684 -0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.631 4.934 -1.072 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.610 2.974 -0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.082 2.399 1.523 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.163 3.914 1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.114 7.184 -0.267 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.193 5.967 0.648 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.627 6.729 1.375 1.00 0.00 H new ATOM 1083 N GLY A 72 7.413 2.884 2.765 1.00 0.00 N ATOM 1084 CA GLY A 72 7.955 1.730 3.458 1.00 0.00 C ATOM 1085 C GLY A 72 8.355 2.047 4.887 1.00 0.00 C ATOM 1086 O GLY A 72 8.382 1.161 5.741 1.00 0.00 O ATOM 0 H GLY A 72 8.060 3.342 2.123 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.214 0.930 3.460 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.824 1.359 2.915 1.00 0.00 H new ATOM 1090 N GLN A 73 8.667 3.313 5.145 1.00 0.00 N ATOM 1091 CA GLN A 73 9.067 3.743 6.480 1.00 0.00 C ATOM 1092 C GLN A 73 7.896 3.657 7.454 1.00 0.00 C ATOM 1093 O GLN A 73 8.088 3.472 8.656 1.00 0.00 O ATOM 1094 CB GLN A 73 9.608 5.175 6.435 1.00 0.00 C ATOM 1095 CG GLN A 73 10.948 5.340 7.135 1.00 0.00 C ATOM 1096 CD GLN A 73 11.177 6.756 7.626 1.00 0.00 C ATOM 1097 OE1 GLN A 73 12.112 7.431 7.195 1.00 0.00 O ATOM 1098 NE2 GLN A 73 10.323 7.214 8.534 1.00 0.00 N ATOM 0 H GLN A 73 8.651 4.058 4.448 1.00 0.00 H new ATOM 0 HA GLN A 73 9.854 3.075 6.830 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.710 5.484 5.395 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.881 5.844 6.896 1.00 0.00 H new ATOM 0 HG2 GLN A 73 11.000 4.653 7.980 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.749 5.063 6.449 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.562 6.620 8.864 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.428 8.160 8.902 1.00 0.00 H new ATOM 1107 N MET A 74 6.682 3.793 6.929 1.00 0.00 N ATOM 1108 CA MET A 74 5.481 3.730 7.755 1.00 0.00 C ATOM 1109 C MET A 74 4.910 2.315 7.780 1.00 0.00 C ATOM 1110 O MET A 74 4.306 1.897 8.768 1.00 0.00 O ATOM 1111 CB MET A 74 4.427 4.708 7.236 1.00 0.00 C ATOM 1112 CG MET A 74 4.920 6.143 7.145 1.00 0.00 C ATOM 1113 SD MET A 74 3.812 7.200 6.191 1.00 0.00 S ATOM 1114 CE MET A 74 2.253 6.891 7.019 1.00 0.00 C ATOM 0 H MET A 74 6.504 3.947 5.937 1.00 0.00 H new ATOM 0 HA MET A 74 5.756 4.009 8.772 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.097 4.383 6.249 1.00 0.00 H new ATOM 0 HB3 MET A 74 3.557 4.673 7.891 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.028 6.550 8.150 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.910 6.155 6.688 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.510 7.612 6.677 1.00 0.00 H new ATOM 0 HE2 MET A 74 1.912 5.882 6.788 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.387 6.991 8.096 1.00 0.00 H new ATOM 1124 N CYS A 75 5.105 1.583 6.688 1.00 0.00 N ATOM 1125 CA CYS A 75 4.607 0.215 6.588 1.00 0.00 C ATOM 1126 C CYS A 75 5.675 -0.713 6.016 1.00 0.00 C ATOM 1127 O CYS A 75 6.469 -0.312 5.166 1.00 0.00 O ATOM 1128 CB CYS A 75 3.355 0.169 5.711 1.00 0.00 C ATOM 1129 SG CYS A 75 2.589 -1.465 5.608 1.00 0.00 S ATOM 0 H CYS A 75 5.603 1.913 5.861 1.00 0.00 H new ATOM 0 HA CYS A 75 4.353 -0.126 7.592 1.00 0.00 H new ATOM 0 HB2 CYS A 75 2.624 0.877 6.101 1.00 0.00 H new ATOM 0 HB3 CYS A 75 3.616 0.501 4.706 1.00 0.00 H new ATOM 0 HG CYS A 75 2.052 -1.766 6.753 1.00 0.00 H new ATOM 1135 N GLU A 76 5.686 -1.955 6.488 1.00 0.00 N ATOM 1136 CA GLU A 76 6.656 -2.941 6.025 1.00 0.00 C ATOM 1137 C GLU A 76 6.016 -3.911 5.035 1.00 0.00 C ATOM 1138 O GLU A 76 6.401 -5.078 4.958 1.00 0.00 O ATOM 1139 CB GLU A 76 7.237 -3.713 7.212 1.00 0.00 C ATOM 1140 CG GLU A 76 8.514 -3.103 7.768 1.00 0.00 C ATOM 1141 CD GLU A 76 8.309 -2.447 9.119 1.00 0.00 C ATOM 1142 OE1 GLU A 76 7.925 -1.259 9.150 1.00 0.00 O ATOM 1143 OE2 GLU A 76 8.532 -3.121 10.147 1.00 0.00 O ATOM 0 H GLU A 76 5.034 -2.303 7.191 1.00 0.00 H new ATOM 0 HA GLU A 76 7.462 -2.411 5.517 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.491 -3.759 8.005 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.438 -4.739 6.904 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.274 -3.879 7.857 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.895 -2.364 7.064 1.00 0.00 H new ATOM 1150 N ALA A 77 5.039 -3.421 4.279 1.00 0.00 N ATOM 1151 CA ALA A 77 4.349 -4.245 3.294 1.00 0.00 C ATOM 1152 C ALA A 77 4.659 -3.778 1.873 1.00 0.00 C ATOM 1153 O ALA A 77 5.191 -2.686 1.671 1.00 0.00 O ATOM 1154 CB ALA A 77 2.849 -4.221 3.543 1.00 0.00 C ATOM 0 H ALA A 77 4.708 -2.458 4.330 1.00 0.00 H new ATOM 0 HA ALA A 77 4.707 -5.269 3.399 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.347 -4.841 2.800 1.00 0.00 H new ATOM 0 HB2 ALA A 77 2.639 -4.608 4.540 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.484 -3.197 3.468 1.00 0.00 H new ATOM 1160 N PRO A 78 4.330 -4.605 0.865 1.00 0.00 N ATOM 1161 CA PRO A 78 4.575 -4.278 -0.541 1.00 0.00 C ATOM 1162 C PRO A 78 3.533 -3.322 -1.108 1.00 0.00 C ATOM 1163 O PRO A 78 2.384 -3.704 -1.332 1.00 0.00 O ATOM 1164 CB PRO A 78 4.472 -5.637 -1.226 1.00 0.00 C ATOM 1165 CG PRO A 78 3.479 -6.383 -0.405 1.00 0.00 C ATOM 1166 CD PRO A 78 3.694 -5.929 1.016 1.00 0.00 C ATOM 0 HA PRO A 78 5.530 -3.772 -0.685 1.00 0.00 H new ATOM 0 HB2 PRO A 78 4.141 -5.538 -2.260 1.00 0.00 H new ATOM 0 HB3 PRO A 78 5.435 -6.147 -1.247 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.462 -6.170 -0.733 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.625 -7.459 -0.498 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.753 -5.862 1.562 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.333 -6.620 1.565 1.00 0.00 H new ATOM 1174 N VAL A 79 3.938 -2.080 -1.346 1.00 0.00 N ATOM 1175 CA VAL A 79 3.033 -1.079 -1.895 1.00 0.00 C ATOM 1176 C VAL A 79 3.104 -1.070 -3.424 1.00 0.00 C ATOM 1177 O VAL A 79 4.188 -0.973 -3.998 1.00 0.00 O ATOM 1178 CB VAL A 79 3.347 0.332 -1.347 1.00 0.00 C ATOM 1179 CG1 VAL A 79 3.568 0.293 0.160 1.00 0.00 C ATOM 1180 CG2 VAL A 79 4.559 0.926 -2.044 1.00 0.00 C ATOM 0 H VAL A 79 4.884 -1.743 -1.168 1.00 0.00 H new ATOM 0 HA VAL A 79 2.023 -1.348 -1.585 1.00 0.00 H new ATOM 0 HB VAL A 79 2.486 0.969 -1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.787 1.298 0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.669 -0.081 0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.406 -0.366 0.388 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.760 1.919 -1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.425 0.285 -1.878 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.363 1.001 -3.114 1.00 0.00 H new ATOM 1190 N VAL A 80 1.950 -1.181 -4.080 1.00 0.00 N ATOM 1191 CA VAL A 80 1.907 -1.196 -5.539 1.00 0.00 C ATOM 1192 C VAL A 80 0.768 -0.335 -6.080 1.00 0.00 C ATOM 1193 O VAL A 80 -0.337 -0.345 -5.544 1.00 0.00 O ATOM 1194 CB VAL A 80 1.740 -2.628 -6.081 1.00 0.00 C ATOM 1195 CG1 VAL A 80 2.927 -3.493 -5.689 1.00 0.00 C ATOM 1196 CG2 VAL A 80 0.441 -3.241 -5.581 1.00 0.00 C ATOM 0 H VAL A 80 1.039 -1.261 -3.627 1.00 0.00 H new ATOM 0 HA VAL A 80 2.859 -0.786 -5.877 1.00 0.00 H new ATOM 0 HB VAL A 80 1.699 -2.579 -7.169 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.789 -4.500 -6.082 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.841 -3.065 -6.101 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.004 -3.535 -4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.341 -4.253 -5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.450 -3.275 -4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.400 -2.636 -5.918 1.00 0.00 H new ATOM 1206 N THR A 81 1.039 0.397 -7.155 1.00 0.00 N ATOM 1207 CA THR A 81 0.024 1.251 -7.770 1.00 0.00 C ATOM 1208 C THR A 81 -1.250 0.459 -8.051 1.00 0.00 C ATOM 1209 O THR A 81 -1.234 -0.770 -8.079 1.00 0.00 O ATOM 1210 CB THR A 81 0.554 1.864 -9.069 1.00 0.00 C ATOM 1211 OG1 THR A 81 0.520 0.918 -10.121 1.00 0.00 O ATOM 1212 CG2 THR A 81 1.974 2.374 -8.957 1.00 0.00 C ATOM 0 H THR A 81 1.948 0.418 -7.618 1.00 0.00 H new ATOM 0 HA THR A 81 -0.211 2.054 -7.071 1.00 0.00 H new ATOM 0 HB THR A 81 -0.102 2.709 -9.276 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.132 1.198 -10.833 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.286 2.795 -9.913 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.024 3.144 -8.187 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.636 1.551 -8.690 1.00 0.00 H new ATOM 1220 N ARG A 82 -2.355 1.173 -8.256 1.00 0.00 N ATOM 1221 CA ARG A 82 -3.638 0.530 -8.530 1.00 0.00 C ATOM 1222 C ARG A 82 -3.540 -0.433 -9.713 1.00 0.00 C ATOM 1223 O ARG A 82 -4.362 -1.339 -9.848 1.00 0.00 O ATOM 1224 CB ARG A 82 -4.725 1.575 -8.798 1.00 0.00 C ATOM 1225 CG ARG A 82 -4.252 2.760 -9.627 1.00 0.00 C ATOM 1226 CD ARG A 82 -5.040 2.888 -10.920 1.00 0.00 C ATOM 1227 NE ARG A 82 -6.457 3.145 -10.674 1.00 0.00 N ATOM 1228 CZ ARG A 82 -6.948 4.338 -10.346 1.00 0.00 C ATOM 1229 NH1 ARG A 82 -6.141 5.385 -10.227 1.00 0.00 N ATOM 1230 NH2 ARG A 82 -8.249 4.486 -10.138 1.00 0.00 N ATOM 0 H ARG A 82 -2.388 2.192 -8.238 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.909 -0.043 -7.643 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.558 1.095 -9.311 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -5.106 1.941 -7.845 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.355 3.676 -9.045 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.192 2.645 -9.856 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.624 3.697 -11.520 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.933 1.972 -11.502 1.00 0.00 H new ATOM 0 HE ARG A 82 -7.108 2.365 -10.759 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.139 5.278 -10.387 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.522 6.297 -9.975 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.874 3.685 -10.229 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.625 5.400 -9.887 1.00 0.00 H new ATOM 1244 N GLU A 83 -2.533 -0.239 -10.566 1.00 0.00 N ATOM 1245 CA GLU A 83 -2.340 -1.103 -11.729 1.00 0.00 C ATOM 1246 C GLU A 83 -2.466 -2.570 -11.334 1.00 0.00 C ATOM 1247 O GLU A 83 -3.121 -3.355 -12.018 1.00 0.00 O ATOM 1248 CB GLU A 83 -0.973 -0.847 -12.367 1.00 0.00 C ATOM 1249 CG GLU A 83 -1.000 0.208 -13.460 1.00 0.00 C ATOM 1250 CD GLU A 83 -0.576 1.575 -12.962 1.00 0.00 C ATOM 1251 OE1 GLU A 83 -1.292 2.146 -12.112 1.00 0.00 O ATOM 1252 OE2 GLU A 83 0.472 2.076 -13.422 1.00 0.00 O ATOM 0 H GLU A 83 -1.842 0.505 -10.473 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.116 -0.870 -12.458 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.272 -0.537 -11.592 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.595 -1.781 -12.784 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.341 -0.099 -14.272 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.007 0.272 -13.873 1.00 0.00 H new ATOM 1259 N TRP A 84 -1.849 -2.927 -10.212 1.00 0.00 N ATOM 1260 CA TRP A 84 -1.908 -4.295 -9.706 1.00 0.00 C ATOM 1261 C TRP A 84 -3.355 -4.714 -9.514 1.00 0.00 C ATOM 1262 O TRP A 84 -3.819 -5.704 -10.080 1.00 0.00 O ATOM 1263 CB TRP A 84 -1.173 -4.388 -8.371 1.00 0.00 C ATOM 1264 CG TRP A 84 -1.197 -5.759 -7.765 1.00 0.00 C ATOM 1265 CD1 TRP A 84 -0.451 -6.837 -8.142 1.00 0.00 C ATOM 1266 CD2 TRP A 84 -2.011 -6.195 -6.671 1.00 0.00 C ATOM 1267 NE1 TRP A 84 -0.752 -7.919 -7.349 1.00 0.00 N ATOM 1268 CE2 TRP A 84 -1.707 -7.550 -6.438 1.00 0.00 C ATOM 1269 CE3 TRP A 84 -2.969 -5.572 -5.866 1.00 0.00 C ATOM 1270 CZ2 TRP A 84 -2.327 -8.290 -5.432 1.00 0.00 C ATOM 1271 CZ3 TRP A 84 -3.582 -6.306 -4.870 1.00 0.00 C ATOM 1272 CH2 TRP A 84 -3.260 -7.652 -4.659 1.00 0.00 C ATOM 0 H TRP A 84 -1.302 -2.288 -9.635 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.432 -4.958 -10.428 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.137 -4.082 -8.515 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.620 -3.683 -7.670 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.270 -6.840 -8.946 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -0.333 -8.846 -7.426 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -3.225 -4.534 -6.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -2.080 -9.329 -5.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -4.323 -5.833 -4.243 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.757 -8.198 -3.871 1.00 0.00 H new ATOM 1283 N VAL A 85 -4.055 -3.938 -8.704 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.459 -4.191 -8.407 1.00 0.00 C ATOM 1285 C VAL A 85 -6.285 -4.294 -9.685 1.00 0.00 C ATOM 1286 O VAL A 85 -7.132 -5.176 -9.819 1.00 0.00 O ATOM 1287 CB VAL A 85 -6.046 -3.079 -7.512 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -7.496 -3.375 -7.160 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -5.209 -2.912 -6.254 1.00 0.00 C ATOM 0 H VAL A 85 -3.671 -3.118 -8.235 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.507 -5.142 -7.876 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.020 -2.143 -8.069 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.887 -2.577 -6.529 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.087 -3.438 -8.074 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.554 -4.323 -6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.637 -2.124 -5.634 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.200 -3.848 -5.696 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.189 -2.644 -6.529 1.00 0.00 H new ATOM 1299 N LEU A 86 -6.036 -3.386 -10.619 1.00 0.00 N ATOM 1300 CA LEU A 86 -6.759 -3.375 -11.887 1.00 0.00 C ATOM 1301 C LEU A 86 -6.376 -4.575 -12.745 1.00 0.00 C ATOM 1302 O LEU A 86 -7.234 -5.358 -13.152 1.00 0.00 O ATOM 1303 CB LEU A 86 -6.480 -2.077 -12.648 1.00 0.00 C ATOM 1304 CG LEU A 86 -7.669 -1.520 -13.434 1.00 0.00 C ATOM 1305 CD1 LEU A 86 -8.134 -2.521 -14.480 1.00 0.00 C ATOM 1306 CD2 LEU A 86 -8.808 -1.162 -12.492 1.00 0.00 C ATOM 0 H LEU A 86 -5.339 -2.647 -10.524 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.825 -3.436 -11.667 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.148 -1.321 -11.937 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.655 -2.249 -13.339 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.349 -0.613 -13.947 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.980 -2.107 -15.029 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.319 -2.728 -15.173 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.437 -3.446 -13.989 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -9.646 -0.767 -13.067 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.127 -2.053 -11.951 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.469 -0.408 -11.781 1.00 0.00 H new ATOM 1318 N ASP A 87 -5.083 -4.714 -13.016 1.00 0.00 N ATOM 1319 CA ASP A 87 -4.585 -5.820 -13.827 1.00 0.00 C ATOM 1320 C ASP A 87 -5.002 -7.162 -13.234 1.00 0.00 C ATOM 1321 O ASP A 87 -5.212 -8.134 -13.959 1.00 0.00 O ATOM 1322 CB ASP A 87 -3.061 -5.747 -13.942 1.00 0.00 C ATOM 1323 CG ASP A 87 -2.492 -6.848 -14.817 1.00 0.00 C ATOM 1324 OD1 ASP A 87 -3.118 -7.169 -15.848 1.00 0.00 O ATOM 1325 OD2 ASP A 87 -1.420 -7.387 -14.471 1.00 0.00 O ATOM 0 H ASP A 87 -4.360 -4.075 -12.686 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.021 -5.735 -14.822 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.777 -4.778 -14.352 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.621 -5.814 -12.947 1.00 0.00 H new ATOM 1330 N SER A 88 -5.120 -7.207 -11.911 1.00 0.00 N ATOM 1331 CA SER A 88 -5.511 -8.429 -11.219 1.00 0.00 C ATOM 1332 C SER A 88 -7.013 -8.674 -11.344 1.00 0.00 C ATOM 1333 O SER A 88 -7.445 -9.769 -11.700 1.00 0.00 O ATOM 1334 CB SER A 88 -5.119 -8.355 -9.744 1.00 0.00 C ATOM 1335 OG SER A 88 -3.709 -8.330 -9.592 1.00 0.00 O ATOM 0 H SER A 88 -4.950 -6.411 -11.297 1.00 0.00 H new ATOM 0 HA SER A 88 -4.985 -9.261 -11.687 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.553 -7.462 -9.293 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.530 -9.213 -9.212 1.00 0.00 H new ATOM 0 HG SER A 88 -3.380 -7.419 -9.739 1.00 0.00 H new ATOM 1341 N VAL A 89 -7.804 -7.649 -11.043 1.00 0.00 N ATOM 1342 CA VAL A 89 -9.257 -7.757 -11.117 1.00 0.00 C ATOM 1343 C VAL A 89 -9.739 -7.829 -12.564 1.00 0.00 C ATOM 1344 O VAL A 89 -10.791 -8.400 -12.848 1.00 0.00 O ATOM 1345 CB VAL A 89 -9.942 -6.570 -10.412 1.00 0.00 C ATOM 1346 CG1 VAL A 89 -11.455 -6.741 -10.419 1.00 0.00 C ATOM 1347 CG2 VAL A 89 -9.422 -6.423 -8.989 1.00 0.00 C ATOM 0 H VAL A 89 -7.464 -6.735 -10.746 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.530 -8.681 -10.607 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.701 -5.659 -10.960 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.919 -5.893 -9.917 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.811 -6.792 -11.448 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.720 -7.661 -9.897 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.916 -5.580 -8.506 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.630 -7.335 -8.429 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.346 -6.249 -9.011 1.00 0.00 H new ATOM 1357 N ALA A 90 -8.965 -7.249 -13.475 1.00 0.00 N ATOM 1358 CA ALA A 90 -9.320 -7.251 -14.891 1.00 0.00 C ATOM 1359 C ALA A 90 -9.263 -8.660 -15.468 1.00 0.00 C ATOM 1360 O ALA A 90 -10.253 -9.170 -15.991 1.00 0.00 O ATOM 1361 CB ALA A 90 -8.398 -6.322 -15.667 1.00 0.00 C ATOM 0 H ALA A 90 -8.089 -6.772 -13.260 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.344 -6.890 -14.985 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.674 -6.333 -16.721 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.492 -5.308 -15.278 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.367 -6.658 -15.558 1.00 0.00 H new ATOM 1367 N LEU A 91 -8.094 -9.285 -15.368 1.00 0.00 N ATOM 1368 CA LEU A 91 -7.902 -10.638 -15.878 1.00 0.00 C ATOM 1369 C LEU A 91 -8.234 -11.684 -14.814 1.00 0.00 C ATOM 1370 O LEU A 91 -8.346 -12.872 -15.115 1.00 0.00 O ATOM 1371 CB LEU A 91 -6.458 -10.816 -16.354 1.00 0.00 C ATOM 1372 CG LEU A 91 -6.102 -12.222 -16.841 1.00 0.00 C ATOM 1373 CD1 LEU A 91 -6.934 -12.592 -18.059 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -4.616 -12.313 -17.159 1.00 0.00 C ATOM 0 H LEU A 91 -7.265 -8.876 -14.938 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.581 -10.783 -16.718 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.269 -10.110 -17.163 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.787 -10.551 -15.536 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.328 -12.931 -16.045 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.667 -13.595 -18.391 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.992 -12.566 -17.798 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.740 -11.881 -18.862 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.379 -13.319 -17.504 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.366 -11.594 -17.939 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.038 -12.091 -16.262 1.00 0.00 H new ATOM 1386 N TYR A 92 -8.388 -11.237 -13.568 1.00 0.00 N ATOM 1387 CA TYR A 92 -8.703 -12.137 -12.464 1.00 0.00 C ATOM 1388 C TYR A 92 -7.546 -13.095 -12.200 1.00 0.00 C ATOM 1389 O TYR A 92 -7.588 -14.262 -12.591 1.00 0.00 O ATOM 1390 CB TYR A 92 -9.984 -12.925 -12.762 1.00 0.00 C ATOM 1391 CG TYR A 92 -11.144 -12.576 -11.854 1.00 0.00 C ATOM 1392 CD1 TYR A 92 -10.947 -12.324 -10.501 1.00 0.00 C ATOM 1393 CD2 TYR A 92 -12.439 -12.501 -12.353 1.00 0.00 C ATOM 1394 CE1 TYR A 92 -12.008 -12.007 -9.673 1.00 0.00 C ATOM 1395 CE2 TYR A 92 -13.503 -12.184 -11.531 1.00 0.00 C ATOM 1396 CZ TYR A 92 -13.283 -11.939 -10.192 1.00 0.00 C ATOM 1397 OH TYR A 92 -14.340 -11.624 -9.370 1.00 0.00 O ATOM 0 H TYR A 92 -8.299 -10.257 -13.300 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.863 -11.534 -11.570 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -10.278 -12.744 -13.796 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.773 -13.991 -12.672 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.950 -12.377 -10.090 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.616 -12.694 -13.401 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.838 -11.814 -8.624 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -14.503 -12.128 -11.935 1.00 0.00 H new ATOM 0 HH TYR A 92 -14.016 -11.498 -8.454 1.00 0.00 H new ATOM 1407 N GLN A 93 -6.511 -12.593 -11.532 1.00 0.00 N ATOM 1408 CA GLN A 93 -5.339 -13.401 -11.213 1.00 0.00 C ATOM 1409 C GLN A 93 -4.330 -12.597 -10.399 1.00 0.00 C ATOM 1410 O GLN A 93 -4.034 -11.446 -10.721 1.00 0.00 O ATOM 1411 CB GLN A 93 -4.682 -13.914 -12.497 1.00 0.00 C ATOM 1412 CG GLN A 93 -3.505 -14.844 -12.249 1.00 0.00 C ATOM 1413 CD GLN A 93 -3.298 -15.835 -13.377 1.00 0.00 C ATOM 1414 OE1 GLN A 93 -3.104 -15.448 -14.530 1.00 0.00 O ATOM 1415 NE2 GLN A 93 -3.339 -17.121 -13.050 1.00 0.00 N ATOM 0 H GLN A 93 -6.461 -11.629 -11.201 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.667 -14.252 -10.615 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.429 -14.438 -13.093 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -4.343 -13.062 -13.087 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.599 -14.251 -12.120 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -3.666 -15.387 -11.318 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -3.503 -17.396 -12.081 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -3.207 -17.834 -13.767 1.00 0.00 H new ATOM 1424 N CYS A 94 -3.804 -13.210 -9.343 1.00 0.00 N ATOM 1425 CA CYS A 94 -2.827 -12.551 -8.483 1.00 0.00 C ATOM 1426 C CYS A 94 -1.590 -12.146 -9.280 1.00 0.00 C ATOM 1427 O CYS A 94 -0.630 -12.909 -9.385 1.00 0.00 O ATOM 1428 CB CYS A 94 -2.426 -13.473 -7.331 1.00 0.00 C ATOM 1429 SG CYS A 94 -1.819 -12.602 -5.867 1.00 0.00 S ATOM 0 H CYS A 94 -4.038 -14.162 -9.062 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.287 -11.651 -8.074 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -3.286 -14.080 -7.049 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.653 -14.158 -7.680 1.00 0.00 H new ATOM 0 HG CYS A 94 -1.507 -13.465 -4.947 1.00 0.00 H new ATOM 1435 N GLN A 95 -1.621 -10.941 -9.839 1.00 0.00 N ATOM 1436 CA GLN A 95 -0.502 -10.435 -10.629 1.00 0.00 C ATOM 1437 C GLN A 95 0.680 -10.071 -9.735 1.00 0.00 C ATOM 1438 O GLN A 95 0.518 -9.844 -8.536 1.00 0.00 O ATOM 1439 CB GLN A 95 -0.935 -9.215 -11.443 1.00 0.00 C ATOM 1440 CG GLN A 95 -2.233 -9.423 -12.207 1.00 0.00 C ATOM 1441 CD GLN A 95 -2.167 -10.601 -13.158 1.00 0.00 C ATOM 1442 OE1 GLN A 95 -2.319 -11.753 -12.749 1.00 0.00 O ATOM 1443 NE2 GLN A 95 -1.938 -10.320 -14.435 1.00 0.00 N ATOM 0 H GLN A 95 -2.408 -10.296 -9.760 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.187 -11.225 -11.310 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.050 -8.363 -10.772 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.144 -8.960 -12.149 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -3.047 -9.578 -11.498 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.468 -8.519 -12.769 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.818 -9.351 -14.730 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.882 -11.073 -15.121 1.00 0.00 H new ATOM 1452 N GLU A 96 1.867 -10.017 -10.329 1.00 0.00 N ATOM 1453 CA GLU A 96 3.079 -9.678 -9.590 1.00 0.00 C ATOM 1454 C GLU A 96 3.004 -8.255 -9.046 1.00 0.00 C ATOM 1455 O GLU A 96 2.314 -7.403 -9.604 1.00 0.00 O ATOM 1456 CB GLU A 96 4.307 -9.830 -10.488 1.00 0.00 C ATOM 1457 CG GLU A 96 4.215 -9.035 -11.780 1.00 0.00 C ATOM 1458 CD GLU A 96 4.811 -9.773 -12.962 1.00 0.00 C ATOM 1459 OE1 GLU A 96 6.050 -9.928 -13.003 1.00 0.00 O ATOM 1460 OE2 GLU A 96 4.039 -10.197 -13.848 1.00 0.00 O ATOM 0 H GLU A 96 2.016 -10.204 -11.321 1.00 0.00 H new ATOM 0 HA GLU A 96 3.166 -10.365 -8.748 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.192 -9.512 -9.937 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.443 -10.884 -10.728 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.170 -8.807 -11.988 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.730 -8.083 -11.654 1.00 0.00 H new ATOM 1467 N LEU A 97 3.714 -8.007 -7.950 1.00 0.00 N ATOM 1468 CA LEU A 97 3.722 -6.687 -7.327 1.00 0.00 C ATOM 1469 C LEU A 97 4.999 -5.922 -7.666 1.00 0.00 C ATOM 1470 O LEU A 97 4.984 -4.698 -7.792 1.00 0.00 O ATOM 1471 CB LEU A 97 3.587 -6.822 -5.809 1.00 0.00 C ATOM 1472 CG LEU A 97 2.150 -6.921 -5.294 1.00 0.00 C ATOM 1473 CD1 LEU A 97 1.736 -8.376 -5.143 1.00 0.00 C ATOM 1474 CD2 LEU A 97 2.006 -6.184 -3.971 1.00 0.00 C ATOM 0 H LEU A 97 4.291 -8.701 -7.475 1.00 0.00 H new ATOM 0 HA LEU A 97 2.874 -6.126 -7.719 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.134 -7.709 -5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.067 -5.964 -5.339 1.00 0.00 H new ATOM 0 HG LEU A 97 1.490 -6.451 -6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.711 -8.426 -4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.800 -8.875 -6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.400 -8.872 -4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.977 -6.265 -3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.677 -6.625 -3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.260 -5.133 -4.110 1.00 0.00 H new ATOM 1486 N ASP A 98 6.100 -6.651 -7.808 1.00 0.00 N ATOM 1487 CA ASP A 98 7.389 -6.042 -8.124 1.00 0.00 C ATOM 1488 C ASP A 98 7.326 -5.232 -9.417 1.00 0.00 C ATOM 1489 O ASP A 98 8.154 -4.349 -9.644 1.00 0.00 O ATOM 1490 CB ASP A 98 8.467 -7.121 -8.241 1.00 0.00 C ATOM 1491 CG ASP A 98 9.856 -6.582 -7.961 1.00 0.00 C ATOM 1492 OD1 ASP A 98 10.027 -5.880 -6.942 1.00 0.00 O ATOM 1493 OD2 ASP A 98 10.773 -6.862 -8.762 1.00 0.00 O ATOM 0 H ASP A 98 6.127 -7.666 -7.709 1.00 0.00 H new ATOM 0 HA ASP A 98 7.641 -5.361 -7.311 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.246 -7.929 -7.543 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.441 -7.549 -9.243 1.00 0.00 H new ATOM 1498 N THR A 99 6.348 -5.535 -10.265 1.00 0.00 N ATOM 1499 CA THR A 99 6.196 -4.831 -11.535 1.00 0.00 C ATOM 1500 C THR A 99 5.493 -3.486 -11.349 1.00 0.00 C ATOM 1501 O THR A 99 5.601 -2.601 -12.197 1.00 0.00 O ATOM 1502 CB THR A 99 5.420 -5.697 -12.532 1.00 0.00 C ATOM 1503 OG1 THR A 99 6.139 -6.881 -12.830 1.00 0.00 O ATOM 1504 CG2 THR A 99 5.131 -4.997 -13.843 1.00 0.00 C ATOM 0 H THR A 99 5.651 -6.260 -10.097 1.00 0.00 H new ATOM 0 HA THR A 99 7.194 -4.637 -11.929 1.00 0.00 H new ATOM 0 HB THR A 99 4.472 -5.918 -12.042 1.00 0.00 H new ATOM 0 HG1 THR A 99 5.812 -7.259 -13.673 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.579 -5.669 -14.500 1.00 0.00 H new ATOM 0 HG22 THR A 99 4.536 -4.104 -13.655 1.00 0.00 H new ATOM 0 HG23 THR A 99 6.070 -4.714 -14.319 1.00 0.00 H new ATOM 1512 N TYR A 100 4.773 -3.335 -10.241 1.00 0.00 N ATOM 1513 CA TYR A 100 4.059 -2.092 -9.963 1.00 0.00 C ATOM 1514 C TYR A 100 4.305 -1.624 -8.533 1.00 0.00 C ATOM 1515 O TYR A 100 3.499 -0.886 -7.968 1.00 0.00 O ATOM 1516 CB TYR A 100 2.555 -2.270 -10.197 1.00 0.00 C ATOM 1517 CG TYR A 100 2.221 -3.187 -11.353 1.00 0.00 C ATOM 1518 CD1 TYR A 100 2.262 -2.727 -12.664 1.00 0.00 C ATOM 1519 CD2 TYR A 100 1.865 -4.511 -11.133 1.00 0.00 C ATOM 1520 CE1 TYR A 100 1.957 -3.563 -13.722 1.00 0.00 C ATOM 1521 CE2 TYR A 100 1.559 -5.353 -12.186 1.00 0.00 C ATOM 1522 CZ TYR A 100 1.607 -4.874 -13.478 1.00 0.00 C ATOM 1523 OH TYR A 100 1.304 -5.709 -14.529 1.00 0.00 O ATOM 0 H TYR A 100 4.668 -4.053 -9.524 1.00 0.00 H new ATOM 0 HA TYR A 100 4.439 -1.333 -10.647 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.100 -2.665 -9.289 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.107 -1.293 -10.379 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.536 -1.701 -12.859 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.826 -4.889 -10.122 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.993 -3.191 -14.735 1.00 0.00 H new ATOM 0 HE2 TYR A 100 1.284 -6.380 -11.998 1.00 0.00 H new ATOM 0 HH TYR A 100 0.444 -6.148 -14.361 1.00 0.00 H new ATOM 1533 N LEU A 101 5.420 -2.056 -7.953 1.00 0.00 N ATOM 1534 CA LEU A 101 5.765 -1.678 -6.588 1.00 0.00 C ATOM 1535 C LEU A 101 6.563 -0.378 -6.564 1.00 0.00 C ATOM 1536 O LEU A 101 7.363 -0.112 -7.460 1.00 0.00 O ATOM 1537 CB LEU A 101 6.567 -2.796 -5.918 1.00 0.00 C ATOM 1538 CG LEU A 101 6.068 -3.217 -4.535 1.00 0.00 C ATOM 1539 CD1 LEU A 101 6.238 -4.716 -4.338 1.00 0.00 C ATOM 1540 CD2 LEU A 101 6.802 -2.449 -3.447 1.00 0.00 C ATOM 0 H LEU A 101 6.099 -2.667 -8.406 1.00 0.00 H new ATOM 0 HA LEU A 101 4.838 -1.521 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.558 -3.669 -6.571 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.605 -2.474 -5.830 1.00 0.00 H new ATOM 0 HG LEU A 101 5.006 -2.981 -4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.877 -4.996 -3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.666 -5.250 -5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.292 -4.977 -4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.434 -2.761 -2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.870 -2.654 -3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.628 -1.381 -3.575 1.00 0.00 H new