USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 674 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 41 MET CE :methyl -137:sc= -0.159 (180deg=-0.936) USER MOD Set 1.2: A 116 CYS SG : rot 76:sc= 0.901 USER MOD Set 2.1: A 79 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 83 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Set 3.1: A 33 SER OG : rot 180:sc= 0.0238! USER MOD Set 3.2: A 37 LYS NZ :NH3+ 179:sc= -2 (180deg=-2.01) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= 0.52 K(o=0.52,f=-3.8!) USER MOD Single : A 48 LYS NZ :NH3+ -150:sc= 0.33! (180deg=-1.74!) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot -145:sc= 0.652 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot 160:sc= -6.61! USER MOD Single : A 84 GLN : amide:sc= -15.4! C(o=-15!,f=-17!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -155:sc= -0.112 (180deg=-0.941) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -2.81! C(o=-2.8!,f=-9!) USER MOD Single : A 98 HIS : no HE2:sc= 0.62! C(o=0.62!,f=-9.4!) USER MOD Single : A 105 THR OG1 : rot -29:sc= 0.0459 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.008 USER MOD Single : A 114 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.34) USER MOD Single : A 120 LYS NZ :NH3+ -162:sc= 0.764 (180deg=0.208) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 128 GLN : amide:sc= -0.0464 K(o=-0.046,f=-2.6!) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N SER A 33 0.373 -12.996 8.995 1.00 0.00 N ATOM 134 CA SER A 33 -0.422 -12.259 9.970 1.00 0.00 C ATOM 135 C SER A 33 -1.712 -13.008 10.287 1.00 0.00 C ATOM 136 O SER A 33 -1.778 -13.771 11.250 1.00 0.00 O ATOM 137 CB SER A 33 -0.757 -10.869 9.428 1.00 0.00 C ATOM 138 OG SER A 33 -1.594 -11.000 8.286 1.00 0.00 O ATOM 0 HA SER A 33 0.162 -12.161 10.885 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.258 -10.278 10.195 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.158 -10.339 9.164 1.00 0.00 H new ATOM 0 HG SER A 33 -1.812 -10.111 7.937 1.00 0.00 H new ATOM 144 N LEU A 34 -2.735 -12.785 9.469 1.00 0.00 N ATOM 145 CA LEU A 34 -4.022 -13.440 9.675 1.00 0.00 C ATOM 146 C LEU A 34 -3.822 -14.878 10.143 1.00 0.00 C ATOM 147 O LEU A 34 -4.531 -15.358 11.027 1.00 0.00 O ATOM 148 CB LEU A 34 -4.827 -13.432 8.374 1.00 0.00 C ATOM 149 CG LEU A 34 -6.165 -14.138 8.596 1.00 0.00 C ATOM 150 CD1 LEU A 34 -6.933 -13.436 9.719 1.00 0.00 C ATOM 151 CD2 LEU A 34 -6.988 -14.087 7.308 1.00 0.00 C ATOM 0 H LEU A 34 -2.699 -12.161 8.663 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.568 -12.892 10.443 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.995 -12.407 8.045 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.267 -13.932 7.584 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.986 -15.177 8.873 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.887 -13.939 9.877 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.347 -13.471 10.638 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.112 -12.397 9.443 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.942 -14.590 7.466 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.167 -13.048 7.032 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.442 -14.586 6.508 1.00 0.00 H new ATOM 163 N GLU A 35 -2.851 -15.560 9.543 1.00 0.00 N ATOM 164 CA GLU A 35 -2.567 -16.943 9.907 1.00 0.00 C ATOM 165 C GLU A 35 -2.045 -17.025 11.338 1.00 0.00 C ATOM 166 O GLU A 35 -2.462 -17.885 12.113 1.00 0.00 O ATOM 167 CB GLU A 35 -1.528 -17.532 8.949 1.00 0.00 C ATOM 168 CG GLU A 35 -1.111 -18.920 9.438 1.00 0.00 C ATOM 169 CD GLU A 35 -0.235 -19.600 8.392 1.00 0.00 C ATOM 170 OE1 GLU A 35 0.200 -18.918 7.479 1.00 0.00 O ATOM 171 OE2 GLU A 35 -0.010 -20.792 8.521 1.00 0.00 O ATOM 0 H GLU A 35 -2.253 -15.181 8.809 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.492 -17.515 9.837 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.942 -17.599 7.943 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.658 -16.878 8.893 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.568 -18.835 10.379 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.995 -19.527 9.634 1.00 0.00 H new ATOM 178 N GLU A 36 -1.130 -16.123 11.681 1.00 0.00 N ATOM 179 CA GLU A 36 -0.558 -16.103 13.023 1.00 0.00 C ATOM 180 C GLU A 36 -1.630 -15.774 14.057 1.00 0.00 C ATOM 181 O GLU A 36 -1.683 -16.382 15.126 1.00 0.00 O ATOM 182 CB GLU A 36 0.562 -15.065 13.097 1.00 0.00 C ATOM 183 CG GLU A 36 0.041 -13.798 13.777 1.00 0.00 C ATOM 184 CD GLU A 36 1.110 -12.711 13.746 1.00 0.00 C ATOM 185 OE1 GLU A 36 1.571 -12.391 12.663 1.00 0.00 O ATOM 186 OE2 GLU A 36 1.453 -12.214 14.807 1.00 0.00 O ATOM 0 H GLU A 36 -0.771 -15.402 11.054 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.152 -17.091 13.240 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.408 -15.467 13.654 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.922 -14.831 12.095 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.859 -13.448 13.272 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.237 -14.017 14.808 1.00 0.00 H new ATOM 193 N LYS A 37 -2.481 -14.806 13.731 1.00 0.00 N ATOM 194 CA LYS A 37 -3.549 -14.404 14.640 1.00 0.00 C ATOM 195 C LYS A 37 -4.408 -15.604 15.022 1.00 0.00 C ATOM 196 O LYS A 37 -4.693 -15.826 16.198 1.00 0.00 O ATOM 197 CB LYS A 37 -4.423 -13.337 13.979 1.00 0.00 C ATOM 198 CG LYS A 37 -3.824 -11.953 14.237 1.00 0.00 C ATOM 199 CD LYS A 37 -4.315 -10.976 13.166 1.00 0.00 C ATOM 200 CE LYS A 37 -3.393 -11.045 11.949 1.00 0.00 C ATOM 201 NZ LYS A 37 -4.122 -10.555 10.745 1.00 0.00 N ATOM 0 H LYS A 37 -2.453 -14.289 12.852 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.097 -13.994 15.543 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.491 -13.521 12.907 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.437 -13.386 14.376 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.112 -11.599 15.227 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.735 -12.008 14.223 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.336 -11.222 12.876 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.332 -9.962 13.565 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.502 -10.440 12.119 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.057 -12.070 11.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.490 -10.586 9.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.949 -11.160 10.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.436 -9.576 10.904 1.00 0.00 H new ATOM 215 N ILE A 38 -4.818 -16.375 14.020 1.00 0.00 N ATOM 216 CA ILE A 38 -5.646 -17.552 14.262 1.00 0.00 C ATOM 217 C ILE A 38 -4.885 -18.578 15.095 1.00 0.00 C ATOM 218 O ILE A 38 -5.431 -19.160 16.032 1.00 0.00 O ATOM 219 CB ILE A 38 -6.064 -18.178 12.932 1.00 0.00 C ATOM 220 CG1 ILE A 38 -7.026 -17.235 12.206 1.00 0.00 C ATOM 221 CG2 ILE A 38 -6.763 -19.514 13.194 1.00 0.00 C ATOM 222 CD1 ILE A 38 -7.232 -17.722 10.770 1.00 0.00 C ATOM 0 H ILE A 38 -4.593 -16.208 13.039 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.535 -17.243 14.811 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.181 -18.344 12.315 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.981 -17.199 12.730 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.626 -16.221 12.204 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.061 -19.961 12.246 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.080 -20.186 13.713 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.646 -19.348 13.810 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.917 -17.050 10.253 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.274 -17.735 10.249 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.651 -18.728 10.784 1.00 0.00 H new ATOM 234 N LYS A 39 -3.621 -18.796 14.746 1.00 0.00 N ATOM 235 CA LYS A 39 -2.794 -19.757 15.468 1.00 0.00 C ATOM 236 C LYS A 39 -2.653 -19.349 16.932 1.00 0.00 C ATOM 237 O LYS A 39 -2.677 -20.194 17.826 1.00 0.00 O ATOM 238 CB LYS A 39 -1.409 -19.841 14.824 1.00 0.00 C ATOM 239 CG LYS A 39 -1.518 -20.536 13.465 1.00 0.00 C ATOM 240 CD LYS A 39 -0.195 -20.392 12.711 1.00 0.00 C ATOM 241 CE LYS A 39 0.787 -21.462 13.192 1.00 0.00 C ATOM 242 NZ LYS A 39 1.884 -21.614 12.195 1.00 0.00 N ATOM 0 H LYS A 39 -3.150 -18.325 13.974 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.277 -20.733 15.419 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.993 -18.841 14.700 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.728 -20.392 15.472 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.758 -21.590 13.602 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.329 -20.097 12.884 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.363 -20.493 11.639 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.223 -19.399 12.876 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.199 -21.183 14.162 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.269 -22.412 13.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.552 -22.341 12.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.483 -21.899 11.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.384 -20.708 12.088 1.00 0.00 H new ATOM 256 N LEU A 40 -2.508 -18.049 17.167 1.00 0.00 N ATOM 257 CA LEU A 40 -2.364 -17.541 18.526 1.00 0.00 C ATOM 258 C LEU A 40 -3.662 -17.724 19.307 1.00 0.00 C ATOM 259 O LEU A 40 -3.655 -18.227 20.430 1.00 0.00 O ATOM 260 CB LEU A 40 -1.992 -16.057 18.492 1.00 0.00 C ATOM 261 CG LEU A 40 -1.877 -15.527 19.921 1.00 0.00 C ATOM 262 CD1 LEU A 40 -0.834 -16.343 20.687 1.00 0.00 C ATOM 263 CD2 LEU A 40 -1.447 -14.058 19.887 1.00 0.00 C ATOM 0 H LEU A 40 -2.487 -17.333 16.440 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.572 -18.103 19.022 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.048 -15.920 17.965 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.748 -15.494 17.944 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.843 -15.613 20.418 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.753 -15.964 21.706 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.137 -17.390 20.712 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.132 -16.257 20.190 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.365 -13.679 20.906 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.481 -13.973 19.389 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.189 -13.474 19.342 1.00 0.00 H new ATOM 275 N MET A 41 -4.772 -17.314 18.703 1.00 0.00 N ATOM 276 CA MET A 41 -6.073 -17.438 19.351 1.00 0.00 C ATOM 277 C MET A 41 -6.457 -18.906 19.505 1.00 0.00 C ATOM 278 O MET A 41 -7.163 -19.278 20.441 1.00 0.00 O ATOM 279 CB MET A 41 -7.139 -16.713 18.527 1.00 0.00 C ATOM 280 CG MET A 41 -6.843 -15.212 18.517 1.00 0.00 C ATOM 281 SD MET A 41 -6.954 -14.564 20.203 1.00 0.00 S ATOM 282 CE MET A 41 -8.752 -14.680 20.373 1.00 0.00 C ATOM 0 H MET A 41 -4.798 -16.896 17.773 1.00 0.00 H new ATOM 0 HA MET A 41 -6.009 -16.985 20.340 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.151 -17.099 17.508 1.00 0.00 H new ATOM 0 HB3 MET A 41 -8.127 -16.897 18.949 1.00 0.00 H new ATOM 0 HG2 MET A 41 -5.848 -15.029 18.111 1.00 0.00 H new ATOM 0 HG3 MET A 41 -7.552 -14.695 17.870 1.00 0.00 H new ATOM 0 HE1 MET A 41 -9.131 -13.776 20.850 1.00 0.00 H new ATOM 0 HE2 MET A 41 -9.204 -14.788 19.387 1.00 0.00 H new ATOM 0 HE3 MET A 41 -9.005 -15.546 20.985 1.00 0.00 H new ATOM 292 N ARG A 42 -5.987 -19.736 18.578 1.00 0.00 N ATOM 293 CA ARG A 42 -6.289 -21.162 18.620 1.00 0.00 C ATOM 294 C ARG A 42 -5.665 -21.804 19.855 1.00 0.00 C ATOM 295 O ARG A 42 -6.050 -22.903 20.255 1.00 0.00 O ATOM 296 CB ARG A 42 -5.753 -21.846 17.360 1.00 0.00 C ATOM 297 CG ARG A 42 -6.840 -21.855 16.284 1.00 0.00 C ATOM 298 CD ARG A 42 -6.422 -22.789 15.146 1.00 0.00 C ATOM 299 NE ARG A 42 -5.299 -22.219 14.412 1.00 0.00 N ATOM 300 CZ ARG A 42 -4.769 -22.849 13.368 1.00 0.00 C ATOM 301 NH1 ARG A 42 -3.763 -22.319 12.728 1.00 0.00 N ATOM 302 NH2 ARG A 42 -5.256 -23.998 12.984 1.00 0.00 N ATOM 0 H ARG A 42 -5.400 -19.448 17.795 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.371 -21.285 18.667 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.870 -21.321 16.996 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.445 -22.866 17.590 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.787 -22.185 16.711 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.997 -20.846 15.902 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.145 -23.763 15.549 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.263 -22.950 14.471 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.913 -21.321 14.704 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.383 -21.421 13.029 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.356 -22.802 11.927 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.042 -24.412 13.485 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.850 -24.482 12.183 1.00 0.00 H new ATOM 316 N LEU A 43 -4.701 -21.112 20.453 1.00 0.00 N ATOM 317 CA LEU A 43 -4.031 -21.626 21.642 1.00 0.00 C ATOM 318 C LEU A 43 -4.670 -21.058 22.905 1.00 0.00 C ATOM 319 O LEU A 43 -4.797 -21.752 23.914 1.00 0.00 O ATOM 320 CB LEU A 43 -2.548 -21.254 21.607 1.00 0.00 C ATOM 321 CG LEU A 43 -1.780 -22.291 20.787 1.00 0.00 C ATOM 322 CD1 LEU A 43 -0.316 -21.865 20.664 1.00 0.00 C ATOM 323 CD2 LEU A 43 -1.857 -23.651 21.484 1.00 0.00 C ATOM 0 H LEU A 43 -4.368 -20.201 20.137 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.133 -22.711 21.653 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.421 -20.263 21.170 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.150 -21.209 22.621 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.221 -22.365 19.793 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.230 -22.605 20.079 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.259 -20.896 20.167 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.126 -21.790 21.658 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.310 -24.391 20.900 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.417 -23.576 22.478 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.900 -23.957 21.571 1.00 0.00 H new ATOM 335 N VAL A 44 -5.072 -19.793 22.841 1.00 0.00 N ATOM 336 CA VAL A 44 -5.697 -19.142 23.987 1.00 0.00 C ATOM 337 C VAL A 44 -7.010 -19.831 24.344 1.00 0.00 C ATOM 338 O VAL A 44 -7.277 -20.111 25.514 1.00 0.00 O ATOM 339 CB VAL A 44 -5.963 -17.669 23.669 1.00 0.00 C ATOM 340 CG1 VAL A 44 -6.992 -17.111 24.655 1.00 0.00 C ATOM 341 CG2 VAL A 44 -4.658 -16.879 23.793 1.00 0.00 C ATOM 0 H VAL A 44 -4.977 -19.202 22.015 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.018 -19.214 24.837 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.348 -17.580 22.653 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.181 -16.062 24.428 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.921 -17.674 24.569 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.607 -17.199 25.671 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.845 -15.829 23.567 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.274 -16.968 24.809 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.924 -17.276 23.091 1.00 0.00 H new ATOM 351 N VAL A 45 -7.826 -20.103 23.331 1.00 0.00 N ATOM 352 CA VAL A 45 -9.108 -20.762 23.552 1.00 0.00 C ATOM 353 C VAL A 45 -8.901 -22.180 24.072 1.00 0.00 C ATOM 354 O VAL A 45 -9.618 -22.635 24.964 1.00 0.00 O ATOM 355 CB VAL A 45 -9.903 -20.807 22.245 1.00 0.00 C ATOM 356 CG1 VAL A 45 -11.103 -21.740 22.409 1.00 0.00 C ATOM 357 CG2 VAL A 45 -10.395 -19.400 21.900 1.00 0.00 C ATOM 0 H VAL A 45 -7.625 -19.879 22.356 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.664 -20.193 24.297 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.263 -21.176 21.443 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.669 -21.772 21.478 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.753 -22.743 22.656 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.743 -21.372 23.211 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.961 -19.431 20.969 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.035 -19.031 22.702 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.540 -18.734 21.783 1.00 0.00 H new ATOM 367 N ARG A 46 -7.916 -22.873 23.512 1.00 0.00 N ATOM 368 CA ARG A 46 -7.622 -24.239 23.927 1.00 0.00 C ATOM 369 C ARG A 46 -7.106 -24.263 25.362 1.00 0.00 C ATOM 370 O ARG A 46 -7.039 -25.319 25.991 1.00 0.00 O ATOM 371 CB ARG A 46 -6.576 -24.857 22.997 1.00 0.00 C ATOM 372 CG ARG A 46 -6.357 -26.323 23.375 1.00 0.00 C ATOM 373 CD ARG A 46 -5.396 -26.970 22.376 1.00 0.00 C ATOM 374 NE ARG A 46 -5.292 -28.401 22.632 1.00 0.00 N ATOM 375 CZ ARG A 46 -4.397 -28.883 23.490 1.00 0.00 C ATOM 376 NH1 ARG A 46 -4.323 -30.169 23.702 1.00 0.00 N ATOM 377 NH2 ARG A 46 -3.594 -28.070 24.119 1.00 0.00 N ATOM 0 H ARG A 46 -7.311 -22.514 22.774 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.543 -24.820 23.873 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.907 -24.783 21.961 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.638 -24.307 23.072 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.950 -26.393 24.384 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.308 -26.855 23.377 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.749 -26.800 21.359 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.412 -26.507 22.454 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.916 -29.044 22.145 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.951 -30.804 23.210 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.637 -30.539 24.360 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.653 -27.065 23.953 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.908 -28.439 24.777 1.00 0.00 H new ATOM 391 N HIS A 47 -6.742 -23.092 25.875 1.00 0.00 N ATOM 392 CA HIS A 47 -6.233 -22.991 27.237 1.00 0.00 C ATOM 393 C HIS A 47 -6.972 -21.901 28.006 1.00 0.00 C ATOM 394 O HIS A 47 -6.414 -21.276 28.908 1.00 0.00 O ATOM 395 CB HIS A 47 -4.736 -22.676 27.214 1.00 0.00 C ATOM 396 CG HIS A 47 -3.994 -23.816 26.572 1.00 0.00 C ATOM 397 ND1 HIS A 47 -3.548 -23.763 25.260 1.00 0.00 N ATOM 398 CD2 HIS A 47 -3.612 -25.045 27.048 1.00 0.00 C ATOM 399 CE1 HIS A 47 -2.930 -24.928 24.994 1.00 0.00 C ATOM 400 NE2 HIS A 47 -2.939 -25.746 26.050 1.00 0.00 N ATOM 0 H HIS A 47 -6.790 -22.206 25.372 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.395 -23.946 27.737 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.556 -21.754 26.662 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.371 -22.516 28.229 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -3.667 -22.983 24.614 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.804 -25.413 28.045 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.481 -25.172 24.042 1.00 0.00 H new ATOM 407 N LYS A 48 -8.230 -21.676 27.643 1.00 0.00 N ATOM 408 CA LYS A 48 -9.037 -20.658 28.306 1.00 0.00 C ATOM 409 C LYS A 48 -9.401 -21.099 29.720 1.00 0.00 C ATOM 410 O LYS A 48 -9.588 -20.270 30.610 1.00 0.00 O ATOM 411 CB LYS A 48 -10.314 -20.401 27.505 1.00 0.00 C ATOM 412 CG LYS A 48 -11.115 -21.699 27.389 1.00 0.00 C ATOM 413 CD LYS A 48 -12.349 -21.462 26.515 1.00 0.00 C ATOM 414 CE LYS A 48 -13.156 -22.757 26.410 1.00 0.00 C ATOM 415 NZ LYS A 48 -14.375 -22.516 25.587 1.00 0.00 N ATOM 0 H LYS A 48 -8.711 -22.181 26.898 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.453 -19.739 28.364 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.914 -19.634 27.994 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.064 -20.026 26.513 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.495 -22.484 26.956 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.418 -22.042 28.379 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.965 -20.671 26.943 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.046 -21.128 25.523 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.548 -23.541 25.959 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.438 -23.104 27.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.138 -23.148 25.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.677 -21.527 25.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.161 -22.704 24.587 1.00 0.00 H new ATOM 429 N HIS A 49 -9.498 -22.410 29.918 1.00 0.00 N ATOM 430 CA HIS A 49 -9.846 -22.950 31.228 1.00 0.00 C ATOM 431 C HIS A 49 -8.759 -22.624 32.248 1.00 0.00 C ATOM 432 O HIS A 49 -9.050 -22.294 33.397 1.00 0.00 O ATOM 433 CB HIS A 49 -10.024 -24.466 31.137 1.00 0.00 C ATOM 434 CG HIS A 49 -11.452 -24.784 30.788 1.00 0.00 C ATOM 435 ND1 HIS A 49 -11.912 -24.780 29.482 1.00 0.00 N ATOM 436 CD2 HIS A 49 -12.534 -25.115 31.566 1.00 0.00 C ATOM 437 CE1 HIS A 49 -13.218 -25.101 29.510 1.00 0.00 C ATOM 438 NE2 HIS A 49 -13.649 -25.315 30.756 1.00 0.00 N ATOM 0 H HIS A 49 -9.342 -23.113 29.195 1.00 0.00 H new ATOM 0 HA HIS A 49 -10.781 -22.493 31.552 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.354 -24.877 30.382 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -9.758 -24.932 32.086 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -12.522 -25.206 32.642 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -13.842 -25.177 28.632 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -14.592 -25.570 31.051 1.00 0.00 H new ATOM 445 N GLU A 50 -7.504 -22.719 31.818 1.00 0.00 N ATOM 446 CA GLU A 50 -6.381 -22.433 32.703 1.00 0.00 C ATOM 447 C GLU A 50 -6.652 -21.177 33.525 1.00 0.00 C ATOM 448 O GLU A 50 -6.536 -20.058 33.023 1.00 0.00 O ATOM 449 CB GLU A 50 -5.105 -22.241 31.881 1.00 0.00 C ATOM 450 CG GLU A 50 -4.681 -23.582 31.275 1.00 0.00 C ATOM 451 CD GLU A 50 -3.431 -23.396 30.423 1.00 0.00 C ATOM 452 OE1 GLU A 50 -2.980 -22.269 30.305 1.00 0.00 O ATOM 453 OE2 GLU A 50 -2.943 -24.384 29.899 1.00 0.00 O ATOM 0 H GLU A 50 -7.241 -22.989 30.870 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.253 -23.277 33.381 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.276 -21.510 31.090 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.309 -21.847 32.513 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.487 -24.304 32.068 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.489 -23.987 30.666 1.00 0.00 H new ATOM 567 N SER A 57 -0.516 -13.310 35.105 1.00 0.00 N ATOM 568 CA SER A 57 0.490 -13.405 34.053 1.00 0.00 C ATOM 569 C SER A 57 0.796 -14.865 33.735 1.00 0.00 C ATOM 570 O SER A 57 1.025 -15.225 32.581 1.00 0.00 O ATOM 571 CB SER A 57 1.771 -12.696 34.490 1.00 0.00 C ATOM 572 OG SER A 57 1.487 -11.326 34.743 1.00 0.00 O ATOM 0 HA SER A 57 0.098 -12.925 33.157 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.173 -13.167 35.387 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.532 -12.784 33.715 1.00 0.00 H new ATOM 0 HG SER A 57 2.253 -10.778 34.472 1.00 0.00 H new ATOM 578 N GLU A 58 0.797 -15.692 34.768 1.00 0.00 N ATOM 579 CA GLU A 58 1.076 -17.113 34.606 1.00 0.00 C ATOM 580 C GLU A 58 0.363 -17.663 33.375 1.00 0.00 C ATOM 581 O GLU A 58 0.798 -18.651 32.783 1.00 0.00 O ATOM 582 CB GLU A 58 0.618 -17.880 35.848 1.00 0.00 C ATOM 583 CG GLU A 58 0.998 -19.355 35.707 1.00 0.00 C ATOM 584 CD GLU A 58 0.821 -20.069 37.044 1.00 0.00 C ATOM 585 OE1 GLU A 58 0.296 -19.453 37.956 1.00 0.00 O ATOM 586 OE2 GLU A 58 1.213 -21.221 37.134 1.00 0.00 O ATOM 0 H GLU A 58 0.608 -15.405 35.728 1.00 0.00 H new ATOM 0 HA GLU A 58 2.151 -17.240 34.476 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.081 -17.458 36.740 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.460 -17.782 35.972 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.376 -19.828 34.947 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.032 -19.443 35.373 1.00 0.00 H new ATOM 593 N PHE A 59 -0.734 -17.016 32.994 1.00 0.00 N ATOM 594 CA PHE A 59 -1.499 -17.449 31.831 1.00 0.00 C ATOM 595 C PHE A 59 -0.831 -16.976 30.544 1.00 0.00 C ATOM 596 O PHE A 59 -0.331 -17.783 29.760 1.00 0.00 O ATOM 597 CB PHE A 59 -2.921 -16.892 31.905 1.00 0.00 C ATOM 598 CG PHE A 59 -3.635 -17.154 30.601 1.00 0.00 C ATOM 599 CD1 PHE A 59 -3.887 -18.470 30.194 1.00 0.00 C ATOM 600 CD2 PHE A 59 -4.043 -16.084 29.797 1.00 0.00 C ATOM 601 CE1 PHE A 59 -4.548 -18.715 28.984 1.00 0.00 C ATOM 602 CE2 PHE A 59 -4.704 -16.327 28.588 1.00 0.00 C ATOM 603 CZ PHE A 59 -4.957 -17.643 28.181 1.00 0.00 C ATOM 0 H PHE A 59 -1.111 -16.196 33.470 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.536 -18.538 31.828 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.463 -17.358 32.728 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.893 -15.821 32.107 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.571 -19.296 30.814 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.847 -15.069 30.110 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.742 -19.730 28.670 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.019 -15.500 27.969 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.467 -17.831 27.248 1.00 0.00 H new ATOM 613 N TYR A 60 -0.828 -15.664 30.332 1.00 0.00 N ATOM 614 CA TYR A 60 -0.218 -15.094 29.136 1.00 0.00 C ATOM 615 C TYR A 60 1.241 -15.522 29.022 1.00 0.00 C ATOM 616 O TYR A 60 1.780 -15.639 27.921 1.00 0.00 O ATOM 617 CB TYR A 60 -0.302 -13.568 29.184 1.00 0.00 C ATOM 618 CG TYR A 60 -1.730 -13.149 29.435 1.00 0.00 C ATOM 619 CD1 TYR A 60 -2.172 -12.919 30.744 1.00 0.00 C ATOM 620 CD2 TYR A 60 -2.612 -12.989 28.360 1.00 0.00 C ATOM 621 CE1 TYR A 60 -3.497 -12.530 30.976 1.00 0.00 C ATOM 622 CE2 TYR A 60 -3.936 -12.600 28.593 1.00 0.00 C ATOM 623 CZ TYR A 60 -4.379 -12.371 29.901 1.00 0.00 C ATOM 624 OH TYR A 60 -5.684 -11.987 30.130 1.00 0.00 O ATOM 0 H TYR A 60 -1.238 -14.980 30.968 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.761 -15.460 28.265 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.345 -13.182 29.972 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.053 -13.144 28.244 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.492 -13.042 31.574 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.271 -13.166 27.351 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.839 -12.353 31.985 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.616 -12.476 27.763 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.161 -11.922 29.276 1.00 0.00 H new ATOM 634 N ALA A 61 1.876 -15.756 30.167 1.00 0.00 N ATOM 635 CA ALA A 61 3.274 -16.170 30.183 1.00 0.00 C ATOM 636 C ALA A 61 3.422 -17.582 29.624 1.00 0.00 C ATOM 637 O ALA A 61 4.506 -17.981 29.201 1.00 0.00 O ATOM 638 CB ALA A 61 3.815 -16.127 31.614 1.00 0.00 C ATOM 0 H ALA A 61 1.448 -15.667 31.089 1.00 0.00 H new ATOM 0 HA ALA A 61 3.844 -15.482 29.558 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.860 -16.438 31.617 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.737 -15.111 32.002 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.234 -16.801 32.243 1.00 0.00 H new ATOM 644 N LYS A 62 2.324 -18.332 29.625 1.00 0.00 N ATOM 645 CA LYS A 62 2.345 -19.698 29.116 1.00 0.00 C ATOM 646 C LYS A 62 1.968 -19.725 27.638 1.00 0.00 C ATOM 647 O LYS A 62 2.496 -20.527 26.867 1.00 0.00 O ATOM 648 CB LYS A 62 1.366 -20.565 29.909 1.00 0.00 C ATOM 649 CG LYS A 62 1.811 -22.028 29.844 1.00 0.00 C ATOM 650 CD LYS A 62 0.904 -22.878 30.737 1.00 0.00 C ATOM 651 CE LYS A 62 1.308 -22.691 32.201 1.00 0.00 C ATOM 652 NZ LYS A 62 0.675 -23.756 33.030 1.00 0.00 N ATOM 0 H LYS A 62 1.416 -18.020 29.970 1.00 0.00 H new ATOM 0 HA LYS A 62 3.355 -20.093 29.229 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.326 -20.232 30.946 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.360 -20.461 29.502 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.767 -22.387 28.816 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.847 -22.119 30.169 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.137 -22.588 30.596 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.983 -23.929 30.458 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.393 -22.735 32.299 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.996 -21.708 32.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.949 -23.630 34.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.360 -23.693 32.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.994 -24.689 32.699 1.00 0.00 H new ATOM 666 N ILE A 63 1.053 -18.843 27.250 1.00 0.00 N ATOM 667 CA ILE A 63 0.613 -18.775 25.860 1.00 0.00 C ATOM 668 C ILE A 63 1.778 -18.409 24.947 1.00 0.00 C ATOM 669 O ILE A 63 1.998 -19.050 23.919 1.00 0.00 O ATOM 670 CB ILE A 63 -0.499 -17.735 25.715 1.00 0.00 C ATOM 671 CG1 ILE A 63 -1.716 -18.172 26.534 1.00 0.00 C ATOM 672 CG2 ILE A 63 -0.894 -17.612 24.243 1.00 0.00 C ATOM 673 CD1 ILE A 63 -2.187 -19.546 26.054 1.00 0.00 C ATOM 0 H ILE A 63 0.604 -18.170 27.872 1.00 0.00 H new ATOM 0 HA ILE A 63 0.233 -19.755 25.570 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.143 -16.771 26.078 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.460 -18.213 27.593 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.519 -17.443 26.429 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.687 -16.871 24.140 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.028 -17.301 23.659 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.249 -18.576 23.880 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.054 -19.858 26.637 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.460 -19.489 25.000 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.384 -20.271 26.182 1.00 0.00 H new ATOM 685 N ALA A 64 2.520 -17.374 25.327 1.00 0.00 N ATOM 686 CA ALA A 64 3.660 -16.931 24.534 1.00 0.00 C ATOM 687 C ALA A 64 4.763 -17.986 24.543 1.00 0.00 C ATOM 688 O ALA A 64 5.676 -17.950 23.717 1.00 0.00 O ATOM 689 CB ALA A 64 4.206 -15.616 25.093 1.00 0.00 C ATOM 0 H ALA A 64 2.354 -16.830 26.173 1.00 0.00 H new ATOM 0 HA ALA A 64 3.326 -16.779 23.507 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.058 -15.292 24.495 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.427 -14.854 25.058 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.523 -15.763 26.125 1.00 0.00 H new ATOM 695 N ARG A 65 4.669 -18.925 25.479 1.00 0.00 N ATOM 696 CA ARG A 65 5.665 -19.985 25.585 1.00 0.00 C ATOM 697 C ARG A 65 5.351 -21.114 24.608 1.00 0.00 C ATOM 698 O ARG A 65 6.237 -21.609 23.912 1.00 0.00 O ATOM 699 CB ARG A 65 5.692 -20.535 27.012 1.00 0.00 C ATOM 700 CG ARG A 65 6.798 -21.585 27.134 1.00 0.00 C ATOM 701 CD ARG A 65 6.851 -22.106 28.571 1.00 0.00 C ATOM 702 NE ARG A 65 7.300 -21.053 29.474 1.00 0.00 N ATOM 703 CZ ARG A 65 6.865 -20.991 30.728 1.00 0.00 C ATOM 704 NH1 ARG A 65 7.282 -20.040 31.518 1.00 0.00 N ATOM 705 NH2 ARG A 65 6.021 -21.883 31.170 1.00 0.00 N ATOM 0 H ARG A 65 3.920 -18.974 26.170 1.00 0.00 H new ATOM 0 HA ARG A 65 6.641 -19.567 25.339 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.864 -19.726 27.722 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.727 -20.977 27.261 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.610 -22.408 26.444 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.759 -21.150 26.858 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.865 -22.459 28.874 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.527 -22.959 28.631 1.00 0.00 H new ATOM 0 HE ARG A 65 7.960 -20.352 29.137 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.942 -19.343 31.173 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.948 -19.993 32.480 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.696 -22.627 30.553 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.687 -21.836 32.133 1.00 0.00 H new ATOM 719 N ILE A 66 4.085 -21.516 24.563 1.00 0.00 N ATOM 720 CA ILE A 66 3.667 -22.590 23.668 1.00 0.00 C ATOM 721 C ILE A 66 3.407 -22.047 22.267 1.00 0.00 C ATOM 722 O ILE A 66 3.384 -22.800 21.294 1.00 0.00 O ATOM 723 CB ILE A 66 2.397 -23.251 24.205 1.00 0.00 C ATOM 724 CG1 ILE A 66 2.710 -23.956 25.527 1.00 0.00 C ATOM 725 CG2 ILE A 66 1.888 -24.277 23.191 1.00 0.00 C ATOM 726 CD1 ILE A 66 1.405 -24.387 26.198 1.00 0.00 C ATOM 0 H ILE A 66 3.336 -21.119 25.130 1.00 0.00 H new ATOM 0 HA ILE A 66 4.467 -23.329 23.617 1.00 0.00 H new ATOM 0 HB ILE A 66 1.633 -22.491 24.369 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.343 -24.825 25.347 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.266 -23.288 26.185 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.983 -24.748 23.574 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.666 -23.777 22.248 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.652 -25.037 23.028 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.628 -24.889 27.139 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.789 -23.509 26.392 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.867 -25.070 25.541 1.00 0.00 H new ATOM 738 N GLY A 67 3.210 -20.736 22.172 1.00 0.00 N ATOM 739 CA GLY A 67 2.952 -20.103 20.884 1.00 0.00 C ATOM 740 C GLY A 67 4.242 -19.945 20.085 1.00 0.00 C ATOM 741 O GLY A 67 4.211 -19.717 18.876 1.00 0.00 O ATOM 0 H GLY A 67 3.224 -20.095 22.966 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.240 -20.702 20.317 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.494 -19.126 21.040 1.00 0.00 H new ATOM 745 N TYR A 68 5.374 -20.070 20.770 1.00 0.00 N ATOM 746 CA TYR A 68 6.670 -19.939 20.114 1.00 0.00 C ATOM 747 C TYR A 68 7.417 -21.268 20.132 1.00 0.00 C ATOM 748 O TYR A 68 8.477 -21.404 19.523 1.00 0.00 O ATOM 749 CB TYR A 68 7.508 -18.871 20.820 1.00 0.00 C ATOM 750 CG TYR A 68 8.963 -19.052 20.460 1.00 0.00 C ATOM 751 CD1 TYR A 68 9.404 -18.764 19.162 1.00 0.00 C ATOM 752 CD2 TYR A 68 9.871 -19.507 21.423 1.00 0.00 C ATOM 753 CE1 TYR A 68 10.752 -18.932 18.827 1.00 0.00 C ATOM 754 CE2 TYR A 68 11.220 -19.675 21.088 1.00 0.00 C ATOM 755 CZ TYR A 68 11.661 -19.388 19.791 1.00 0.00 C ATOM 756 OH TYR A 68 12.991 -19.553 19.462 1.00 0.00 O ATOM 0 H TYR A 68 5.421 -20.260 21.771 1.00 0.00 H new ATOM 0 HA TYR A 68 6.503 -19.643 19.078 1.00 0.00 H new ATOM 0 HB2 TYR A 68 7.171 -17.877 20.527 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.378 -18.946 21.900 1.00 0.00 H new ATOM 0 HD1 TYR A 68 8.703 -18.412 18.419 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.531 -19.728 22.424 1.00 0.00 H new ATOM 0 HE1 TYR A 68 11.092 -18.710 17.826 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.921 -20.026 21.831 1.00 0.00 H new ATOM 0 HH TYR A 68 13.484 -19.874 20.245 1.00 0.00 H new ATOM 766 N GLU A 69 6.857 -22.246 20.837 1.00 0.00 N ATOM 767 CA GLU A 69 7.479 -23.562 20.928 1.00 0.00 C ATOM 768 C GLU A 69 6.667 -24.594 20.151 1.00 0.00 C ATOM 769 O GLU A 69 6.982 -25.784 20.165 1.00 0.00 O ATOM 770 CB GLU A 69 7.585 -23.990 22.393 1.00 0.00 C ATOM 771 CG GLU A 69 8.594 -23.094 23.115 1.00 0.00 C ATOM 772 CD GLU A 69 8.639 -23.450 24.597 1.00 0.00 C ATOM 773 OE1 GLU A 69 7.926 -24.359 24.990 1.00 0.00 O ATOM 774 OE2 GLU A 69 9.385 -22.808 25.317 1.00 0.00 O ATOM 0 H GLU A 69 5.980 -22.154 21.350 1.00 0.00 H new ATOM 0 HA GLU A 69 8.477 -23.502 20.495 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.610 -23.919 22.875 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.897 -25.032 22.457 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.583 -23.216 22.673 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.317 -22.047 22.992 1.00 0.00 H new ATOM 781 N ASP A 70 5.621 -24.130 19.476 1.00 0.00 N ATOM 782 CA ASP A 70 4.770 -25.022 18.697 1.00 0.00 C ATOM 783 C ASP A 70 4.296 -24.333 17.422 1.00 0.00 C ATOM 784 O ASP A 70 4.343 -24.913 16.338 1.00 0.00 O ATOM 785 CB ASP A 70 3.559 -25.449 19.530 1.00 0.00 C ATOM 786 CG ASP A 70 3.988 -26.448 20.599 1.00 0.00 C ATOM 787 OD1 ASP A 70 5.070 -26.995 20.471 1.00 0.00 O ATOM 788 OD2 ASP A 70 3.227 -26.650 21.531 1.00 0.00 O ATOM 0 H ASP A 70 5.343 -23.149 19.452 1.00 0.00 H new ATOM 0 HA ASP A 70 5.352 -25.903 18.425 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.103 -24.576 19.998 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.803 -25.896 18.885 1.00 0.00 H new ATOM 793 N GLU A 71 3.839 -23.093 17.561 1.00 0.00 N ATOM 794 CA GLU A 71 3.358 -22.334 16.412 1.00 0.00 C ATOM 795 C GLU A 71 4.517 -21.640 15.705 1.00 0.00 C ATOM 796 O GLU A 71 4.417 -21.284 14.531 1.00 0.00 O ATOM 797 CB GLU A 71 2.335 -21.290 16.867 1.00 0.00 C ATOM 798 CG GLU A 71 1.208 -21.980 17.636 1.00 0.00 C ATOM 799 CD GLU A 71 0.424 -22.896 16.701 1.00 0.00 C ATOM 800 OE1 GLU A 71 0.673 -22.845 15.508 1.00 0.00 O ATOM 801 OE2 GLU A 71 -0.414 -23.634 17.193 1.00 0.00 O ATOM 0 H GLU A 71 3.791 -22.595 18.450 1.00 0.00 H new ATOM 0 HA GLU A 71 2.885 -23.026 15.715 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.817 -20.544 17.499 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.930 -20.762 16.004 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.621 -22.558 18.463 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.543 -21.234 18.070 1.00 0.00 H new ATOM 808 N GLY A 72 5.616 -21.451 16.428 1.00 0.00 N ATOM 809 CA GLY A 72 6.787 -20.791 15.861 1.00 0.00 C ATOM 810 C GLY A 72 6.648 -19.275 15.936 1.00 0.00 C ATOM 811 O GLY A 72 7.590 -18.541 15.639 1.00 0.00 O ATOM 0 H GLY A 72 5.721 -21.743 17.400 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.682 -21.105 16.398 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.915 -21.097 14.823 1.00 0.00 H new ATOM 893 N GLU A 78 5.857 -11.471 28.132 1.00 0.00 N ATOM 894 CA GLU A 78 4.651 -11.459 28.951 1.00 0.00 C ATOM 895 C GLU A 78 3.746 -10.297 28.553 1.00 0.00 C ATOM 896 O GLU A 78 2.585 -10.497 28.194 1.00 0.00 O ATOM 897 CB GLU A 78 5.024 -11.333 30.429 1.00 0.00 C ATOM 898 CG GLU A 78 3.751 -11.235 31.272 1.00 0.00 C ATOM 899 CD GLU A 78 4.111 -11.083 32.745 1.00 0.00 C ATOM 900 OE1 GLU A 78 5.226 -11.427 33.102 1.00 0.00 O ATOM 901 OE2 GLU A 78 3.267 -10.623 33.496 1.00 0.00 O ATOM 0 HA GLU A 78 4.116 -12.395 28.790 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.613 -12.195 30.741 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.644 -10.450 30.584 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.154 -10.384 30.946 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.141 -12.127 31.129 1.00 0.00 H new ATOM 908 N SER A 79 4.313 -9.109 28.635 1.00 0.00 N ATOM 909 CA SER A 79 3.611 -7.874 28.305 1.00 0.00 C ATOM 910 C SER A 79 3.028 -7.949 26.897 1.00 0.00 C ATOM 911 O SER A 79 1.837 -7.714 26.695 1.00 0.00 O ATOM 912 CB SER A 79 4.571 -6.687 28.399 1.00 0.00 C ATOM 913 OG SER A 79 3.868 -5.489 28.094 1.00 0.00 O ATOM 0 H SER A 79 5.278 -8.968 28.933 1.00 0.00 H new ATOM 0 HA SER A 79 2.796 -7.740 29.017 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.997 -6.627 29.401 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.402 -6.821 27.707 1.00 0.00 H new ATOM 0 HG SER A 79 4.480 -4.726 28.155 1.00 0.00 H new ATOM 919 N ALA A 80 3.876 -8.276 25.927 1.00 0.00 N ATOM 920 CA ALA A 80 3.433 -8.379 24.541 1.00 0.00 C ATOM 921 C ALA A 80 2.288 -9.379 24.418 1.00 0.00 C ATOM 922 O ALA A 80 1.449 -9.268 23.523 1.00 0.00 O ATOM 923 CB ALA A 80 4.597 -8.821 23.653 1.00 0.00 C ATOM 0 H ALA A 80 4.866 -8.473 26.073 1.00 0.00 H new ATOM 0 HA ALA A 80 3.081 -7.399 24.217 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.258 -8.896 22.620 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.403 -8.090 23.719 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.961 -9.793 23.987 1.00 0.00 H new ATOM 929 N CYS A 81 2.259 -10.353 25.320 1.00 0.00 N ATOM 930 CA CYS A 81 1.211 -11.367 25.301 1.00 0.00 C ATOM 931 C CYS A 81 -0.117 -10.775 25.762 1.00 0.00 C ATOM 932 O CYS A 81 -1.164 -11.412 25.649 1.00 0.00 O ATOM 933 CB CYS A 81 1.596 -12.532 26.215 1.00 0.00 C ATOM 934 SG CYS A 81 3.345 -12.934 25.976 1.00 0.00 S ATOM 0 H CYS A 81 2.943 -10.462 26.068 1.00 0.00 H new ATOM 0 HA CYS A 81 1.099 -11.728 24.278 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.412 -12.268 27.256 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.978 -13.402 25.993 1.00 0.00 H new ATOM 0 HG CYS A 81 3.782 -13.597 27.005 1.00 0.00 H new ATOM 940 N ARG A 82 -0.065 -9.552 26.280 1.00 0.00 N ATOM 941 CA ARG A 82 -1.272 -8.883 26.756 1.00 0.00 C ATOM 942 C ARG A 82 -1.694 -7.787 25.782 1.00 0.00 C ATOM 943 O ARG A 82 -2.861 -7.398 25.739 1.00 0.00 O ATOM 944 CB ARG A 82 -1.022 -8.274 28.137 1.00 0.00 C ATOM 945 CG ARG A 82 -0.672 -9.385 29.129 1.00 0.00 C ATOM 946 CD ARG A 82 -0.311 -8.767 30.481 1.00 0.00 C ATOM 947 NE ARG A 82 -1.480 -8.125 31.071 1.00 0.00 N ATOM 948 CZ ARG A 82 -2.324 -8.808 31.836 1.00 0.00 C ATOM 949 NH1 ARG A 82 -3.364 -8.212 32.354 1.00 0.00 N ATOM 950 NH2 ARG A 82 -2.115 -10.075 32.070 1.00 0.00 N ATOM 0 H ARG A 82 0.792 -9.007 26.381 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.072 -9.620 26.825 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.210 -7.549 28.085 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -1.908 -7.736 28.475 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.516 -10.065 29.242 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.164 -9.974 28.752 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.067 -9.538 31.152 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.488 -8.037 30.353 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.652 -7.135 30.893 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -3.528 -7.222 32.171 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -4.012 -8.736 32.941 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -1.303 -10.541 31.665 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -2.764 -10.599 32.658 1.00 0.00 H new ATOM 964 N ASN A 83 -0.737 -7.293 25.004 1.00 0.00 N ATOM 965 CA ASN A 83 -1.022 -6.240 24.035 1.00 0.00 C ATOM 966 C ASN A 83 -1.512 -6.840 22.721 1.00 0.00 C ATOM 967 O ASN A 83 -2.500 -6.379 22.147 1.00 0.00 O ATOM 968 CB ASN A 83 0.237 -5.410 23.780 1.00 0.00 C ATOM 969 CG ASN A 83 0.774 -4.858 25.096 1.00 0.00 C ATOM 970 OD1 ASN A 83 -0.003 -4.487 25.977 1.00 0.00 O ATOM 971 ND2 ASN A 83 2.062 -4.782 25.285 1.00 0.00 N ATOM 0 H ASN A 83 0.235 -7.601 25.024 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.803 -5.599 24.443 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.996 -6.025 23.297 1.00 0.00 H new ATOM 0 HB3 ASN A 83 0.010 -4.590 23.098 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.428 -4.415 26.164 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.704 -5.090 24.554 1.00 0.00 H new ATOM 978 N GLN A 84 -0.816 -7.870 22.250 1.00 0.00 N ATOM 979 CA GLN A 84 -1.190 -8.525 21.002 1.00 0.00 C ATOM 980 C GLN A 84 -2.625 -9.041 21.075 1.00 0.00 C ATOM 981 O GLN A 84 -3.487 -8.614 20.307 1.00 0.00 O ATOM 982 CB GLN A 84 -0.241 -9.691 20.718 1.00 0.00 C ATOM 983 CG GLN A 84 1.047 -9.158 20.089 1.00 0.00 C ATOM 984 CD GLN A 84 1.708 -8.151 21.024 1.00 0.00 C ATOM 985 OE1 GLN A 84 1.175 -7.063 21.241 1.00 0.00 O ATOM 986 NE2 GLN A 84 2.843 -8.450 21.593 1.00 0.00 N ATOM 0 H GLN A 84 0.004 -8.266 22.710 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.119 -7.794 20.196 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.014 -10.223 21.642 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.717 -10.406 20.047 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.731 -9.982 19.887 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.825 -8.686 19.132 1.00 0.00 H new ATOM 0 HE21 GLN A 84 3.282 -9.352 21.411 1.00 0.00 H new ATOM 0 HE22 GLN A 84 3.291 -7.781 22.220 1.00 0.00 H new ATOM 995 N ILE A 85 -2.870 -9.959 22.003 1.00 0.00 N ATOM 996 CA ILE A 85 -4.204 -10.527 22.166 1.00 0.00 C ATOM 997 C ILE A 85 -5.236 -9.423 22.375 1.00 0.00 C ATOM 998 O ILE A 85 -6.349 -9.493 21.854 1.00 0.00 O ATOM 999 CB ILE A 85 -4.223 -11.477 23.366 1.00 0.00 C ATOM 1000 CG1 ILE A 85 -3.373 -12.709 23.050 1.00 0.00 C ATOM 1001 CG2 ILE A 85 -5.662 -11.910 23.650 1.00 0.00 C ATOM 1002 CD1 ILE A 85 -3.166 -13.527 24.327 1.00 0.00 C ATOM 0 H ILE A 85 -2.170 -10.324 22.649 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.456 -11.078 21.260 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.818 -10.969 24.241 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.864 -13.318 22.291 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.410 -12.404 22.640 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.676 -12.587 24.504 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.269 -11.032 23.872 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.068 -12.420 22.776 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.560 -14.405 24.102 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.657 -12.916 25.072 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.133 -13.844 24.717 1.00 0.00 H new ATOM 1014 N ILE A 86 -4.858 -8.403 23.139 1.00 0.00 N ATOM 1015 CA ILE A 86 -5.760 -7.289 23.409 1.00 0.00 C ATOM 1016 C ILE A 86 -6.103 -6.551 22.119 1.00 0.00 C ATOM 1017 O ILE A 86 -7.263 -6.218 21.873 1.00 0.00 O ATOM 1018 CB ILE A 86 -5.109 -6.318 24.396 1.00 0.00 C ATOM 1019 CG1 ILE A 86 -5.643 -6.591 25.804 1.00 0.00 C ATOM 1020 CG2 ILE A 86 -5.443 -4.880 23.995 1.00 0.00 C ATOM 1021 CD1 ILE A 86 -5.381 -5.374 26.694 1.00 0.00 C ATOM 0 H ILE A 86 -3.941 -8.325 23.579 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.678 -7.687 23.841 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.028 -6.456 24.382 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.712 -6.803 25.765 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.159 -7.473 26.224 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.979 -4.189 24.699 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.065 -4.685 22.992 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.524 -4.740 24.009 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.761 -5.568 27.697 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.309 -5.183 26.743 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.886 -4.503 26.277 1.00 0.00 H new ATOM 1033 N SER A 87 -5.088 -6.298 21.300 1.00 0.00 N ATOM 1034 CA SER A 87 -5.295 -5.598 20.037 1.00 0.00 C ATOM 1035 C SER A 87 -6.301 -6.344 19.168 1.00 0.00 C ATOM 1036 O SER A 87 -7.206 -5.742 18.591 1.00 0.00 O ATOM 1037 CB SER A 87 -3.968 -5.470 19.289 1.00 0.00 C ATOM 1038 OG SER A 87 -4.185 -4.777 18.066 1.00 0.00 O ATOM 0 H SER A 87 -4.121 -6.565 21.485 1.00 0.00 H new ATOM 0 HA SER A 87 -5.688 -4.605 20.254 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.242 -4.934 19.901 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.551 -6.458 19.092 1.00 0.00 H new ATOM 0 HG SER A 87 -3.336 -4.691 17.584 1.00 0.00 H new ATOM 1044 N ILE A 88 -6.138 -7.661 19.078 1.00 0.00 N ATOM 1045 CA ILE A 88 -7.038 -8.480 18.275 1.00 0.00 C ATOM 1046 C ILE A 88 -8.484 -8.273 18.712 1.00 0.00 C ATOM 1047 O ILE A 88 -9.409 -8.394 17.908 1.00 0.00 O ATOM 1048 CB ILE A 88 -6.666 -9.957 18.417 1.00 0.00 C ATOM 1049 CG1 ILE A 88 -5.218 -10.161 17.968 1.00 0.00 C ATOM 1050 CG2 ILE A 88 -7.594 -10.803 17.543 1.00 0.00 C ATOM 1051 CD1 ILE A 88 -4.776 -11.588 18.302 1.00 0.00 C ATOM 0 H ILE A 88 -5.396 -8.180 19.548 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.939 -8.179 17.232 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.771 -10.261 19.459 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.130 -9.983 16.896 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.567 -9.442 18.465 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.329 -11.856 17.644 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.626 -10.656 17.860 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.488 -10.501 16.501 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.744 -11.734 17.982 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.849 -11.749 19.378 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.420 -12.299 17.784 1.00 0.00 H new ATOM 1063 N MET A 89 -8.673 -7.963 19.990 1.00 0.00 N ATOM 1064 CA MET A 89 -10.013 -7.742 20.523 1.00 0.00 C ATOM 1065 C MET A 89 -10.619 -6.469 19.942 1.00 0.00 C ATOM 1066 O MET A 89 -11.722 -6.488 19.395 1.00 0.00 O ATOM 1067 CB MET A 89 -9.957 -7.634 22.048 1.00 0.00 C ATOM 1068 CG MET A 89 -9.510 -8.971 22.640 1.00 0.00 C ATOM 1069 SD MET A 89 -10.748 -10.238 22.270 1.00 0.00 S ATOM 1070 CE MET A 89 -12.027 -9.645 23.403 1.00 0.00 C ATOM 0 H MET A 89 -7.922 -7.860 20.672 1.00 0.00 H new ATOM 0 HA MET A 89 -10.639 -8.589 20.242 1.00 0.00 H new ATOM 0 HB2 MET A 89 -9.265 -6.845 22.342 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.937 -7.361 22.440 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.544 -9.259 22.226 1.00 0.00 H new ATOM 0 HG3 MET A 89 -9.380 -8.878 23.718 1.00 0.00 H new ATOM 0 HE1 MET A 89 -12.680 -10.473 23.680 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.559 -9.237 24.299 1.00 0.00 H new ATOM 0 HE3 MET A 89 -12.614 -8.867 22.914 1.00 0.00 H new ATOM 1080 N ARG A 90 -9.890 -5.365 20.064 1.00 0.00 N ATOM 1081 CA ARG A 90 -10.367 -4.086 19.547 1.00 0.00 C ATOM 1082 C ARG A 90 -10.879 -4.243 18.119 1.00 0.00 C ATOM 1083 O ARG A 90 -11.912 -3.681 17.755 1.00 0.00 O ATOM 1084 CB ARG A 90 -9.235 -3.057 19.576 1.00 0.00 C ATOM 1085 CG ARG A 90 -9.772 -1.696 19.129 1.00 0.00 C ATOM 1086 CD ARG A 90 -8.652 -0.656 19.201 1.00 0.00 C ATOM 1087 NE ARG A 90 -7.593 -0.990 18.255 1.00 0.00 N ATOM 1088 CZ ARG A 90 -7.639 -0.566 16.996 1.00 0.00 C ATOM 1089 NH1 ARG A 90 -6.678 -0.877 16.168 1.00 0.00 N ATOM 1090 NH2 ARG A 90 -8.643 0.160 16.588 1.00 0.00 N ATOM 0 H ARG A 90 -8.974 -5.328 20.512 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.186 -3.742 20.178 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.821 -2.984 20.582 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.424 -3.374 18.920 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.157 -1.762 18.111 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.604 -1.395 19.766 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.050 0.334 18.978 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.247 -0.616 20.212 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.804 -1.558 18.565 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.893 -1.445 16.488 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.712 -0.552 15.202 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.393 0.403 17.235 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.678 0.485 15.622 1.00 0.00 H new ATOM 1104 N VAL A 91 -10.148 -5.007 17.313 1.00 0.00 N ATOM 1105 CA VAL A 91 -10.539 -5.229 15.925 1.00 0.00 C ATOM 1106 C VAL A 91 -11.795 -6.092 15.852 1.00 0.00 C ATOM 1107 O VAL A 91 -12.670 -5.860 15.019 1.00 0.00 O ATOM 1108 CB VAL A 91 -9.401 -5.914 15.167 1.00 0.00 C ATOM 1109 CG1 VAL A 91 -8.057 -5.448 15.730 1.00 0.00 C ATOM 1110 CG2 VAL A 91 -9.522 -7.431 15.329 1.00 0.00 C ATOM 0 H VAL A 91 -9.289 -5.479 17.594 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.751 -4.263 15.467 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.461 -5.654 14.110 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.247 -5.937 15.189 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.970 -4.368 15.616 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.996 -5.707 16.787 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.711 -7.920 14.789 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.462 -7.690 16.386 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -10.479 -7.765 14.927 1.00 0.00 H new ATOM 1120 N TYR A 92 -11.875 -7.087 16.729 1.00 0.00 N ATOM 1121 CA TYR A 92 -13.028 -7.978 16.754 1.00 0.00 C ATOM 1122 C TYR A 92 -14.294 -7.208 17.114 1.00 0.00 C ATOM 1123 O TYR A 92 -15.358 -7.438 16.537 1.00 0.00 O ATOM 1124 CB TYR A 92 -12.803 -9.096 17.772 1.00 0.00 C ATOM 1125 CG TYR A 92 -14.058 -9.926 17.897 1.00 0.00 C ATOM 1126 CD1 TYR A 92 -14.397 -10.840 16.892 1.00 0.00 C ATOM 1127 CD2 TYR A 92 -14.884 -9.781 19.019 1.00 0.00 C ATOM 1128 CE1 TYR A 92 -15.561 -11.608 17.008 1.00 0.00 C ATOM 1129 CE2 TYR A 92 -16.048 -10.549 19.134 1.00 0.00 C ATOM 1130 CZ TYR A 92 -16.387 -11.463 18.129 1.00 0.00 C ATOM 1131 OH TYR A 92 -17.534 -12.221 18.243 1.00 0.00 O ATOM 0 H TYR A 92 -11.161 -7.295 17.427 1.00 0.00 H new ATOM 0 HA TYR A 92 -13.149 -8.410 15.761 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -11.969 -9.724 17.459 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -12.537 -8.672 18.740 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -13.760 -10.952 16.027 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -14.623 -9.077 19.795 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -15.822 -12.313 16.233 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -16.685 -10.437 19.999 1.00 0.00 H new ATOM 0 HH TYR A 92 -17.991 -11.998 19.081 1.00 0.00 H new ATOM 1141 N GLU A 93 -14.173 -6.294 18.070 1.00 0.00 N ATOM 1142 CA GLU A 93 -15.315 -5.495 18.499 1.00 0.00 C ATOM 1143 C GLU A 93 -15.657 -4.440 17.452 1.00 0.00 C ATOM 1144 O GLU A 93 -16.826 -4.131 17.226 1.00 0.00 O ATOM 1145 CB GLU A 93 -15.003 -4.810 19.832 1.00 0.00 C ATOM 1146 CG GLU A 93 -14.849 -5.869 20.926 1.00 0.00 C ATOM 1147 CD GLU A 93 -16.171 -6.602 21.132 1.00 0.00 C ATOM 1148 OE1 GLU A 93 -17.173 -5.933 21.319 1.00 0.00 O ATOM 1149 OE2 GLU A 93 -16.161 -7.822 21.101 1.00 0.00 O ATOM 0 H GLU A 93 -13.302 -6.089 18.560 1.00 0.00 H new ATOM 0 HA GLU A 93 -16.171 -6.159 18.622 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -14.088 -4.224 19.747 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.802 -4.116 20.092 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.069 -6.579 20.649 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.536 -5.398 21.858 1.00 0.00 H new ATOM 1156 N GLN A 94 -14.627 -3.891 16.815 1.00 0.00 N ATOM 1157 CA GLN A 94 -14.830 -2.872 15.792 1.00 0.00 C ATOM 1158 C GLN A 94 -15.566 -3.455 14.591 1.00 0.00 C ATOM 1159 O GLN A 94 -16.600 -2.935 14.170 1.00 0.00 O ATOM 1160 CB GLN A 94 -13.481 -2.306 15.342 1.00 0.00 C ATOM 1161 CG GLN A 94 -12.999 -1.268 16.356 1.00 0.00 C ATOM 1162 CD GLN A 94 -11.606 -0.776 15.977 1.00 0.00 C ATOM 1163 OE1 GLN A 94 -11.127 0.217 16.523 1.00 0.00 O ATOM 1164 NE2 GLN A 94 -10.923 -1.418 15.068 1.00 0.00 N ATOM 0 H GLN A 94 -13.651 -4.132 16.987 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.435 -2.072 16.219 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -12.750 -3.109 15.252 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -13.576 -1.850 14.357 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -13.694 -0.429 16.388 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -12.980 -1.704 17.355 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -11.322 -2.241 14.617 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.990 -1.097 14.809 1.00 0.00 H new ATOM 1173 N ARG A 95 -15.025 -4.537 14.040 1.00 0.00 N ATOM 1174 CA ARG A 95 -15.640 -5.183 12.886 1.00 0.00 C ATOM 1175 C ARG A 95 -16.940 -5.872 13.286 1.00 0.00 C ATOM 1176 O ARG A 95 -17.703 -6.324 12.431 1.00 0.00 O ATOM 1177 CB ARG A 95 -14.677 -6.213 12.290 1.00 0.00 C ATOM 1178 CG ARG A 95 -15.155 -6.610 10.893 1.00 0.00 C ATOM 1179 CD ARG A 95 -14.118 -7.523 10.239 1.00 0.00 C ATOM 1180 NE ARG A 95 -14.448 -7.738 8.834 1.00 0.00 N ATOM 1181 CZ ARG A 95 -13.535 -8.176 7.973 1.00 0.00 C ATOM 1182 NH1 ARG A 95 -13.856 -8.361 6.721 1.00 0.00 N ATOM 1183 NH2 ARG A 95 -12.320 -8.420 8.378 1.00 0.00 N ATOM 0 H ARG A 95 -14.169 -4.982 14.371 1.00 0.00 H new ATOM 0 HA ARG A 95 -15.862 -4.419 12.141 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -13.671 -5.798 12.237 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -14.626 -7.092 12.932 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -16.116 -7.121 10.957 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -15.308 -5.720 10.283 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -13.127 -7.078 10.323 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -14.083 -8.479 10.762 1.00 0.00 H new ATOM 0 HE ARG A 95 -15.395 -7.549 8.507 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -14.807 -8.169 6.405 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.156 -8.697 6.059 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.070 -8.275 9.356 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -11.620 -8.756 7.717 1.00 0.00 H new ATOM 1197 N LEU A 96 -17.188 -5.948 14.590 1.00 0.00 N ATOM 1198 CA LEU A 96 -18.400 -6.585 15.090 1.00 0.00 C ATOM 1199 C LEU A 96 -19.579 -5.618 15.026 1.00 0.00 C ATOM 1200 O LEU A 96 -20.713 -6.024 14.776 1.00 0.00 O ATOM 1201 CB LEU A 96 -18.191 -7.042 16.535 1.00 0.00 C ATOM 1202 CG LEU A 96 -19.509 -7.578 17.097 1.00 0.00 C ATOM 1203 CD1 LEU A 96 -20.034 -8.694 16.193 1.00 0.00 C ATOM 1204 CD2 LEU A 96 -19.274 -8.132 18.505 1.00 0.00 C ATOM 0 H LEU A 96 -16.571 -5.579 15.314 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.619 -7.450 14.463 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.425 -7.816 16.575 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -17.836 -6.210 17.143 1.00 0.00 H new ATOM 0 HG LEU A 96 -20.240 -6.771 17.139 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -20.973 -9.076 16.594 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -20.201 -8.302 15.190 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -19.303 -9.502 16.150 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -20.212 -8.514 18.907 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -18.542 -8.939 18.461 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -18.900 -7.338 19.151 1.00 0.00 H new ATOM 1216 N ALA A 97 -19.301 -4.339 15.253 1.00 0.00 N ATOM 1217 CA ALA A 97 -20.347 -3.323 15.218 1.00 0.00 C ATOM 1218 C ALA A 97 -20.611 -2.874 13.785 1.00 0.00 C ATOM 1219 O ALA A 97 -21.719 -2.459 13.449 1.00 0.00 O ATOM 1220 CB ALA A 97 -19.933 -2.119 16.066 1.00 0.00 C ATOM 0 H ALA A 97 -18.368 -3.983 15.462 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.262 -3.755 15.624 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -20.719 -1.365 16.035 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -19.776 -2.437 17.097 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -19.009 -1.697 15.671 1.00 0.00 H new ATOM 1226 N HIS A 98 -19.584 -2.959 12.945 1.00 0.00 N ATOM 1227 CA HIS A 98 -19.715 -2.553 11.551 1.00 0.00 C ATOM 1228 C HIS A 98 -20.472 -3.611 10.754 1.00 0.00 C ATOM 1229 O HIS A 98 -20.021 -4.749 10.631 1.00 0.00 O ATOM 1230 CB HIS A 98 -18.330 -2.342 10.936 1.00 0.00 C ATOM 1231 CG HIS A 98 -17.705 -1.105 11.520 1.00 0.00 C ATOM 1232 ND1 HIS A 98 -17.068 -1.109 12.752 1.00 0.00 N ATOM 1233 CD2 HIS A 98 -17.611 0.184 11.055 1.00 0.00 C ATOM 1234 CE1 HIS A 98 -16.624 0.140 12.982 1.00 0.00 C ATOM 1235 NE2 HIS A 98 -16.929 0.968 11.980 1.00 0.00 N ATOM 0 H HIS A 98 -18.659 -3.303 13.203 1.00 0.00 H new ATOM 0 HA HIS A 98 -20.274 -1.618 11.515 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -17.698 -3.208 11.131 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -18.412 -2.244 9.853 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -16.957 -1.912 13.371 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -18.007 0.536 10.114 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -16.086 0.437 13.870 1.00 0.00 H new ATOM 1343 N THR A 105 -17.489 -12.535 2.702 1.00 0.00 N ATOM 1344 CA THR A 105 -17.227 -13.473 3.787 1.00 0.00 C ATOM 1345 C THR A 105 -16.054 -14.383 3.436 1.00 0.00 C ATOM 1346 O THR A 105 -15.720 -14.558 2.265 1.00 0.00 O ATOM 1347 CB THR A 105 -18.472 -14.321 4.057 1.00 0.00 C ATOM 1348 OG1 THR A 105 -18.760 -15.112 2.913 1.00 0.00 O ATOM 1349 CG2 THR A 105 -19.658 -13.406 4.360 1.00 0.00 C ATOM 0 HA THR A 105 -16.975 -12.904 4.682 1.00 0.00 H new ATOM 0 HB THR A 105 -18.292 -14.972 4.913 1.00 0.00 H new ATOM 0 HG1 THR A 105 -18.450 -14.648 2.108 1.00 0.00 H new ATOM 0 HG21 THR A 105 -20.544 -14.011 4.552 1.00 0.00 H new ATOM 0 HG22 THR A 105 -19.435 -12.800 5.238 1.00 0.00 H new ATOM 0 HG23 THR A 105 -19.842 -12.754 3.506 1.00 0.00 H new ATOM 1357 N THR A 106 -15.434 -14.961 4.460 1.00 0.00 N ATOM 1358 CA THR A 106 -14.297 -15.849 4.248 1.00 0.00 C ATOM 1359 C THR A 106 -14.193 -16.866 5.382 1.00 0.00 C ATOM 1360 O THR A 106 -14.686 -16.634 6.486 1.00 0.00 O ATOM 1361 CB THR A 106 -13.004 -15.035 4.171 1.00 0.00 C ATOM 1362 OG1 THR A 106 -13.177 -13.809 4.869 1.00 0.00 O ATOM 1363 CG2 THR A 106 -12.667 -14.747 2.708 1.00 0.00 C ATOM 0 H THR A 106 -15.697 -14.832 5.437 1.00 0.00 H new ATOM 0 HA THR A 106 -14.447 -16.381 3.309 1.00 0.00 H new ATOM 0 HB THR A 106 -12.190 -15.601 4.624 1.00 0.00 H new ATOM 0 HG1 THR A 106 -12.349 -13.286 4.823 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.746 -14.167 2.654 1.00 0.00 H new ATOM 0 HG22 THR A 106 -12.535 -15.688 2.173 1.00 0.00 H new ATOM 0 HG23 THR A 106 -13.479 -14.181 2.252 1.00 0.00 H new ATOM 1371 N PRO A 107 -13.545 -17.980 5.135 1.00 0.00 N ATOM 1372 CA PRO A 107 -13.357 -19.042 6.165 1.00 0.00 C ATOM 1373 C PRO A 107 -12.360 -18.627 7.243 1.00 0.00 C ATOM 1374 O PRO A 107 -12.540 -18.939 8.420 1.00 0.00 O ATOM 1375 CB PRO A 107 -12.832 -20.235 5.364 1.00 0.00 C ATOM 1376 CG PRO A 107 -12.193 -19.649 4.148 1.00 0.00 C ATOM 1377 CD PRO A 107 -12.911 -18.335 3.856 1.00 0.00 C ATOM 0 HA PRO A 107 -14.280 -19.259 6.703 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -12.113 -20.812 5.945 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -13.641 -20.913 5.094 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -11.130 -19.478 4.315 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -12.277 -20.331 3.302 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -12.213 -17.564 3.529 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -13.650 -18.452 3.064 1.00 0.00 H new ATOM 1385 N GLU A 108 -11.310 -17.924 6.832 1.00 0.00 N ATOM 1386 CA GLU A 108 -10.290 -17.472 7.773 1.00 0.00 C ATOM 1387 C GLU A 108 -10.864 -16.424 8.721 1.00 0.00 C ATOM 1388 O GLU A 108 -10.712 -16.526 9.939 1.00 0.00 O ATOM 1389 CB GLU A 108 -9.104 -16.880 7.011 1.00 0.00 C ATOM 1390 CG GLU A 108 -8.414 -17.980 6.202 1.00 0.00 C ATOM 1391 CD GLU A 108 -9.082 -18.120 4.838 1.00 0.00 C ATOM 1392 OE1 GLU A 108 -10.083 -17.456 4.619 1.00 0.00 O ATOM 1393 OE2 GLU A 108 -8.583 -18.887 4.032 1.00 0.00 O ATOM 0 H GLU A 108 -11.143 -17.656 5.862 1.00 0.00 H new ATOM 0 HA GLU A 108 -9.954 -18.329 8.357 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.445 -16.086 6.347 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.398 -16.431 7.709 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.358 -17.742 6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -8.466 -18.926 6.741 1.00 0.00 H new ATOM 1400 N GLU A 109 -11.523 -15.419 8.155 1.00 0.00 N ATOM 1401 CA GLU A 109 -12.115 -14.357 8.961 1.00 0.00 C ATOM 1402 C GLU A 109 -13.206 -14.918 9.868 1.00 0.00 C ATOM 1403 O GLU A 109 -13.407 -14.438 10.984 1.00 0.00 O ATOM 1404 CB GLU A 109 -12.709 -13.280 8.052 1.00 0.00 C ATOM 1405 CG GLU A 109 -13.338 -12.179 8.907 1.00 0.00 C ATOM 1406 CD GLU A 109 -13.937 -11.100 8.010 1.00 0.00 C ATOM 1407 OE1 GLU A 109 -13.571 -11.054 6.848 1.00 0.00 O ATOM 1408 OE2 GLU A 109 -14.753 -10.337 8.500 1.00 0.00 O ATOM 0 H GLU A 109 -11.660 -15.317 7.149 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.333 -13.918 9.580 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.932 -12.860 7.413 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -13.460 -13.718 7.395 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -14.112 -12.602 9.548 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -12.585 -11.742 9.563 1.00 0.00 H new ATOM 1415 N ASP A 110 -13.907 -15.937 9.381 1.00 0.00 N ATOM 1416 CA ASP A 110 -14.976 -16.556 10.156 1.00 0.00 C ATOM 1417 C ASP A 110 -14.408 -17.260 11.384 1.00 0.00 C ATOM 1418 O ASP A 110 -14.913 -17.096 12.495 1.00 0.00 O ATOM 1419 CB ASP A 110 -15.732 -17.565 9.291 1.00 0.00 C ATOM 1420 CG ASP A 110 -16.808 -16.852 8.479 1.00 0.00 C ATOM 1421 OD1 ASP A 110 -17.183 -15.756 8.862 1.00 0.00 O ATOM 1422 OD2 ASP A 110 -17.242 -17.412 7.485 1.00 0.00 O ATOM 0 H ASP A 110 -13.756 -16.349 8.460 1.00 0.00 H new ATOM 0 HA ASP A 110 -15.661 -15.774 10.484 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -15.039 -18.075 8.623 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -16.187 -18.329 9.922 1.00 0.00 H new ATOM 1427 N GLU A 111 -13.355 -18.044 11.176 1.00 0.00 N ATOM 1428 CA GLU A 111 -12.726 -18.769 12.273 1.00 0.00 C ATOM 1429 C GLU A 111 -12.258 -17.801 13.355 1.00 0.00 C ATOM 1430 O GLU A 111 -12.584 -17.966 14.532 1.00 0.00 O ATOM 1431 CB GLU A 111 -11.533 -19.573 11.754 1.00 0.00 C ATOM 1432 CG GLU A 111 -10.922 -20.381 12.900 1.00 0.00 C ATOM 1433 CD GLU A 111 -9.756 -21.218 12.385 1.00 0.00 C ATOM 1434 OE1 GLU A 111 -9.329 -20.979 11.267 1.00 0.00 O ATOM 1435 OE2 GLU A 111 -9.306 -22.085 13.116 1.00 0.00 O ATOM 0 H GLU A 111 -12.922 -18.193 10.264 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.461 -19.449 12.702 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.852 -20.241 10.954 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.786 -18.902 11.330 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.579 -19.709 13.687 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.678 -21.029 13.342 1.00 0.00 H new ATOM 1442 N LEU A 112 -11.494 -16.794 12.950 1.00 0.00 N ATOM 1443 CA LEU A 112 -10.987 -15.804 13.894 1.00 0.00 C ATOM 1444 C LEU A 112 -12.127 -15.221 14.722 1.00 0.00 C ATOM 1445 O LEU A 112 -12.010 -15.069 15.938 1.00 0.00 O ATOM 1446 CB LEU A 112 -10.272 -14.681 13.141 1.00 0.00 C ATOM 1447 CG LEU A 112 -9.773 -13.634 14.139 1.00 0.00 C ATOM 1448 CD1 LEU A 112 -8.842 -14.300 15.155 1.00 0.00 C ATOM 1449 CD2 LEU A 112 -9.008 -12.541 13.389 1.00 0.00 C ATOM 0 H LEU A 112 -11.213 -16.641 11.981 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.282 -16.296 14.564 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.434 -15.086 12.573 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.951 -14.220 12.423 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.623 -13.193 14.659 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.486 -13.554 15.866 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.384 -15.081 15.689 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.991 -14.740 14.635 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.652 -11.794 14.098 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.158 -12.983 12.870 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.669 -12.066 12.664 1.00 0.00 H new ATOM 1461 N ASP A 113 -13.229 -14.895 14.055 1.00 0.00 N ATOM 1462 CA ASP A 113 -14.385 -14.328 14.739 1.00 0.00 C ATOM 1463 C ASP A 113 -14.897 -15.288 15.809 1.00 0.00 C ATOM 1464 O ASP A 113 -15.197 -14.879 16.930 1.00 0.00 O ATOM 1465 CB ASP A 113 -15.500 -14.043 13.732 1.00 0.00 C ATOM 1466 CG ASP A 113 -15.283 -12.678 13.087 1.00 0.00 C ATOM 1467 OD1 ASP A 113 -14.564 -11.879 13.665 1.00 0.00 O ATOM 1468 OD2 ASP A 113 -15.836 -12.451 12.024 1.00 0.00 O ATOM 0 H ASP A 113 -13.346 -15.013 13.049 1.00 0.00 H new ATOM 0 HA ASP A 113 -14.081 -13.397 15.217 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -15.516 -14.818 12.966 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -16.468 -14.069 14.232 1.00 0.00 H new ATOM 1473 N GLN A 114 -14.995 -16.565 15.454 1.00 0.00 N ATOM 1474 CA GLN A 114 -15.472 -17.574 16.391 1.00 0.00 C ATOM 1475 C GLN A 114 -14.536 -17.672 17.593 1.00 0.00 C ATOM 1476 O GLN A 114 -14.984 -17.688 18.740 1.00 0.00 O ATOM 1477 CB GLN A 114 -15.557 -18.935 15.697 1.00 0.00 C ATOM 1478 CG GLN A 114 -16.632 -18.886 14.609 1.00 0.00 C ATOM 1479 CD GLN A 114 -18.002 -18.655 15.240 1.00 0.00 C ATOM 1480 OE1 GLN A 114 -18.398 -19.382 16.150 1.00 0.00 O ATOM 1481 NE2 GLN A 114 -18.751 -17.677 14.808 1.00 0.00 N ATOM 0 H GLN A 114 -14.752 -16.923 14.530 1.00 0.00 H new ATOM 0 HA GLN A 114 -16.463 -17.281 16.737 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.593 -19.193 15.259 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -15.795 -19.712 16.424 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -16.409 -18.087 13.901 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -16.634 -19.819 14.046 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -18.420 -17.076 14.053 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -19.667 -17.514 15.225 1.00 0.00 H new ATOM 1490 N LEU A 115 -13.237 -17.738 17.320 1.00 0.00 N ATOM 1491 CA LEU A 115 -12.248 -17.833 18.388 1.00 0.00 C ATOM 1492 C LEU A 115 -12.369 -16.645 19.337 1.00 0.00 C ATOM 1493 O LEU A 115 -12.300 -16.804 20.557 1.00 0.00 O ATOM 1494 CB LEU A 115 -10.839 -17.871 17.793 1.00 0.00 C ATOM 1495 CG LEU A 115 -10.648 -19.175 17.018 1.00 0.00 C ATOM 1496 CD1 LEU A 115 -9.319 -19.129 16.261 1.00 0.00 C ATOM 1497 CD2 LEU A 115 -10.634 -20.352 17.996 1.00 0.00 C ATOM 0 H LEU A 115 -12.847 -17.728 16.378 1.00 0.00 H new ATOM 0 HA LEU A 115 -12.431 -18.751 18.947 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.689 -17.017 17.132 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.095 -17.795 18.586 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.467 -19.299 16.309 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.183 -20.059 15.708 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -9.326 -18.291 15.565 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.500 -19.005 16.970 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.498 -21.282 17.444 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -9.815 -20.227 18.704 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.579 -20.386 18.537 1.00 0.00 H new ATOM 1509 N CYS A 116 -12.552 -15.458 18.771 1.00 0.00 N ATOM 1510 CA CYS A 116 -12.684 -14.250 19.578 1.00 0.00 C ATOM 1511 C CYS A 116 -13.927 -14.327 20.457 1.00 0.00 C ATOM 1512 O CYS A 116 -13.899 -13.934 21.624 1.00 0.00 O ATOM 1513 CB CYS A 116 -12.773 -13.022 18.670 1.00 0.00 C ATOM 1514 SG CYS A 116 -11.206 -12.808 17.788 1.00 0.00 S ATOM 0 H CYS A 116 -12.612 -15.306 17.764 1.00 0.00 H new ATOM 0 HA CYS A 116 -11.805 -14.165 20.218 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -13.590 -13.141 17.958 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -12.993 -12.134 19.262 1.00 0.00 H new ATOM 0 HG CYS A 116 -11.124 -13.684 16.831 1.00 0.00 H new ATOM 1520 N ASP A 117 -15.016 -14.834 19.890 1.00 0.00 N ATOM 1521 CA ASP A 117 -16.265 -14.958 20.632 1.00 0.00 C ATOM 1522 C ASP A 117 -16.082 -15.878 21.836 1.00 0.00 C ATOM 1523 O ASP A 117 -16.518 -15.562 22.943 1.00 0.00 O ATOM 1524 CB ASP A 117 -17.361 -15.516 19.723 1.00 0.00 C ATOM 1525 CG ASP A 117 -18.668 -15.642 20.498 1.00 0.00 C ATOM 1526 OD1 ASP A 117 -18.646 -15.421 21.697 1.00 0.00 O ATOM 1527 OD2 ASP A 117 -19.672 -15.956 19.880 1.00 0.00 O ATOM 0 H ASP A 117 -15.060 -15.164 18.926 1.00 0.00 H new ATOM 0 HA ASP A 117 -16.556 -13.969 20.984 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -17.500 -14.861 18.863 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -17.063 -16.490 19.336 1.00 0.00 H new ATOM 1532 N GLU A 118 -15.435 -17.017 21.611 1.00 0.00 N ATOM 1533 CA GLU A 118 -15.199 -17.975 22.684 1.00 0.00 C ATOM 1534 C GLU A 118 -14.333 -17.354 23.775 1.00 0.00 C ATOM 1535 O GLU A 118 -14.631 -17.476 24.963 1.00 0.00 O ATOM 1536 CB GLU A 118 -14.509 -19.222 22.128 1.00 0.00 C ATOM 1537 CG GLU A 118 -14.509 -20.322 23.193 1.00 0.00 C ATOM 1538 CD GLU A 118 -14.058 -21.642 22.577 1.00 0.00 C ATOM 1539 OE1 GLU A 118 -14.054 -21.735 21.360 1.00 0.00 O ATOM 1540 OE2 GLU A 118 -13.724 -22.541 23.331 1.00 0.00 O ATOM 0 H GLU A 118 -15.067 -17.298 20.702 1.00 0.00 H new ATOM 0 HA GLU A 118 -16.160 -18.255 23.115 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -15.025 -19.568 21.233 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -13.486 -18.985 21.835 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -13.844 -20.047 24.012 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -15.508 -20.431 23.616 1.00 0.00 H new ATOM 1547 N TRP A 119 -13.260 -16.687 23.362 1.00 0.00 N ATOM 1548 CA TRP A 119 -12.358 -16.049 24.313 1.00 0.00 C ATOM 1549 C TRP A 119 -13.072 -14.927 25.059 1.00 0.00 C ATOM 1550 O TRP A 119 -12.882 -14.747 26.263 1.00 0.00 O ATOM 1551 CB TRP A 119 -11.141 -15.483 23.580 1.00 0.00 C ATOM 1552 CG TRP A 119 -10.347 -14.630 24.517 1.00 0.00 C ATOM 1553 CD1 TRP A 119 -10.267 -13.280 24.460 1.00 0.00 C ATOM 1554 CD2 TRP A 119 -9.520 -15.042 25.644 1.00 0.00 C ATOM 1555 NE1 TRP A 119 -9.445 -12.838 25.482 1.00 0.00 N ATOM 1556 CE2 TRP A 119 -8.960 -13.887 26.238 1.00 0.00 C ATOM 1557 CE3 TRP A 119 -9.206 -16.294 26.203 1.00 0.00 C ATOM 1558 CZ2 TRP A 119 -8.118 -13.970 27.347 1.00 0.00 C ATOM 1559 CZ3 TRP A 119 -8.358 -16.381 27.319 1.00 0.00 C ATOM 1560 CH2 TRP A 119 -7.817 -15.222 27.891 1.00 0.00 C ATOM 0 H TRP A 119 -12.996 -16.575 22.383 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.031 -16.799 25.034 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -10.523 -16.295 23.198 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -11.462 -14.896 22.720 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -10.763 -12.651 23.736 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -9.224 -11.857 25.656 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -9.619 -17.194 25.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -7.702 -13.074 27.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -8.121 -17.347 27.739 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -7.168 -15.296 28.751 1.00 0.00 H new ATOM 1571 N LYS A 120 -13.896 -14.175 24.337 1.00 0.00 N ATOM 1572 CA LYS A 120 -14.636 -13.073 24.941 1.00 0.00 C ATOM 1573 C LYS A 120 -15.581 -13.591 26.020 1.00 0.00 C ATOM 1574 O LYS A 120 -15.772 -12.949 27.053 1.00 0.00 O ATOM 1575 CB LYS A 120 -15.439 -12.332 23.870 1.00 0.00 C ATOM 1576 CG LYS A 120 -16.111 -11.107 24.490 1.00 0.00 C ATOM 1577 CD LYS A 120 -16.866 -10.335 23.406 1.00 0.00 C ATOM 1578 CE LYS A 120 -17.526 -9.100 24.023 1.00 0.00 C ATOM 1579 NZ LYS A 120 -18.247 -8.340 22.964 1.00 0.00 N ATOM 0 H LYS A 120 -14.068 -14.307 23.340 1.00 0.00 H new ATOM 0 HA LYS A 120 -13.921 -12.388 25.397 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -14.783 -12.026 23.055 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -16.191 -12.994 23.442 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -16.799 -11.416 25.277 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -15.363 -10.465 24.954 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -16.180 -10.036 22.613 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -17.622 -10.974 22.949 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -18.221 -9.400 24.807 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -16.772 -8.467 24.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -18.431 -7.372 23.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -17.664 -8.306 22.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -19.150 -8.811 22.752 1.00 0.00 H new ATOM 1593 N ALA A 121 -16.169 -14.757 25.774 1.00 0.00 N ATOM 1594 CA ALA A 121 -17.092 -15.353 26.733 1.00 0.00 C ATOM 1595 C ALA A 121 -16.363 -15.724 28.019 1.00 0.00 C ATOM 1596 O ALA A 121 -16.854 -15.470 29.119 1.00 0.00 O ATOM 1597 CB ALA A 121 -17.737 -16.603 26.130 1.00 0.00 C ATOM 0 H ALA A 121 -16.025 -15.305 24.926 1.00 0.00 H new ATOM 0 HA ALA A 121 -17.866 -14.622 26.966 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -18.425 -17.042 26.853 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -18.284 -16.331 25.227 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -16.962 -17.328 25.880 1.00 0.00 H new ATOM 1603 N ARG A 122 -15.186 -16.324 27.873 1.00 0.00 N ATOM 1604 CA ARG A 122 -14.396 -16.725 29.032 1.00 0.00 C ATOM 1605 C ARG A 122 -14.052 -15.512 29.890 1.00 0.00 C ATOM 1606 O ARG A 122 -14.128 -15.567 31.118 1.00 0.00 O ATOM 1607 CB ARG A 122 -13.106 -17.410 28.573 1.00 0.00 C ATOM 1608 CG ARG A 122 -11.909 -16.772 29.280 1.00 0.00 C ATOM 1609 CD ARG A 122 -10.650 -17.592 28.992 1.00 0.00 C ATOM 1610 NE ARG A 122 -9.491 -16.973 29.625 1.00 0.00 N ATOM 1611 CZ ARG A 122 -9.148 -17.274 30.874 1.00 0.00 C ATOM 1612 NH1 ARG A 122 -8.107 -16.707 31.418 1.00 0.00 N ATOM 1613 NH2 ARG A 122 -9.855 -18.133 31.555 1.00 0.00 N ATOM 0 H ARG A 122 -14.761 -16.542 26.972 1.00 0.00 H new ATOM 0 HA ARG A 122 -14.986 -17.422 29.627 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -13.148 -18.476 28.797 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -12.996 -17.316 27.493 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -11.774 -15.746 28.936 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -12.089 -16.727 30.354 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -10.777 -18.609 29.363 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -10.491 -17.663 27.916 1.00 0.00 H new ATOM 0 HE ARG A 122 -8.934 -16.298 29.101 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -7.557 -16.033 30.885 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -7.843 -16.937 32.376 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -10.671 -18.574 31.129 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -9.592 -18.364 32.513 1.00 0.00 H new ATOM 1627 N LEU A 123 -13.674 -14.419 29.236 1.00 0.00 N ATOM 1628 CA LEU A 123 -13.321 -13.197 29.950 1.00 0.00 C ATOM 1629 C LEU A 123 -14.522 -12.665 30.724 1.00 0.00 C ATOM 1630 O LEU A 123 -14.385 -12.183 31.848 1.00 0.00 O ATOM 1631 CB LEU A 123 -12.836 -12.135 28.960 1.00 0.00 C ATOM 1632 CG LEU A 123 -11.475 -12.544 28.398 1.00 0.00 C ATOM 1633 CD1 LEU A 123 -11.056 -11.559 27.306 1.00 0.00 C ATOM 1634 CD2 LEU A 123 -10.435 -12.529 29.521 1.00 0.00 C ATOM 0 H LEU A 123 -13.604 -14.354 28.220 1.00 0.00 H new ATOM 0 HA LEU A 123 -12.522 -13.427 30.655 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -13.557 -12.022 28.150 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -12.760 -11.168 29.457 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.543 -13.547 27.977 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -10.085 -11.851 26.905 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -11.796 -11.567 26.506 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.988 -10.556 27.727 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.464 -12.821 29.121 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -10.368 -11.526 29.941 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -10.732 -13.230 30.301 1.00 0.00 H new ATOM 1646 N SER A 124 -15.700 -12.755 30.114 1.00 0.00 N ATOM 1647 CA SER A 124 -16.920 -12.280 30.757 1.00 0.00 C ATOM 1648 C SER A 124 -17.282 -13.168 31.942 1.00 0.00 C ATOM 1649 O SER A 124 -17.713 -12.679 32.987 1.00 0.00 O ATOM 1650 CB SER A 124 -18.071 -12.276 29.751 1.00 0.00 C ATOM 1651 OG SER A 124 -19.242 -11.771 30.380 1.00 0.00 O ATOM 0 H SER A 124 -15.835 -13.149 29.183 1.00 0.00 H new ATOM 0 HA SER A 124 -16.748 -11.266 31.117 1.00 0.00 H new ATOM 0 HB2 SER A 124 -17.813 -11.661 28.889 1.00 0.00 H new ATOM 0 HB3 SER A 124 -18.249 -13.286 29.381 1.00 0.00 H new ATOM 0 HG SER A 124 -19.982 -11.765 29.737 1.00 0.00 H new ATOM 1657 N GLU A 125 -17.101 -14.474 31.775 1.00 0.00 N ATOM 1658 CA GLU A 125 -17.412 -15.421 32.839 1.00 0.00 C ATOM 1659 C GLU A 125 -16.580 -15.120 34.082 1.00 0.00 C ATOM 1660 O GLU A 125 -17.084 -15.172 35.204 1.00 0.00 O ATOM 1661 CB GLU A 125 -17.128 -16.848 32.367 1.00 0.00 C ATOM 1662 CG GLU A 125 -17.515 -17.837 33.468 1.00 0.00 C ATOM 1663 CD GLU A 125 -17.277 -19.266 32.994 1.00 0.00 C ATOM 1664 OE1 GLU A 125 -16.631 -19.429 31.971 1.00 0.00 O ATOM 1665 OE2 GLU A 125 -17.742 -20.176 33.659 1.00 0.00 O ATOM 0 H GLU A 125 -16.743 -14.898 30.919 1.00 0.00 H new ATOM 0 HA GLU A 125 -18.469 -15.325 33.089 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -17.691 -17.061 31.458 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -16.072 -16.957 32.120 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -16.929 -17.641 34.366 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -18.563 -17.704 33.736 1.00 0.00 H new ATOM 1672 N LEU A 126 -15.306 -14.804 33.874 1.00 0.00 N ATOM 1673 CA LEU A 126 -14.415 -14.496 34.986 1.00 0.00 C ATOM 1674 C LEU A 126 -14.813 -13.177 35.642 1.00 0.00 C ATOM 1675 O LEU A 126 -14.683 -13.013 36.854 1.00 0.00 O ATOM 1676 CB LEU A 126 -12.971 -14.405 34.488 1.00 0.00 C ATOM 1677 CG LEU A 126 -12.507 -15.782 34.013 1.00 0.00 C ATOM 1678 CD1 LEU A 126 -11.136 -15.656 33.344 1.00 0.00 C ATOM 1679 CD2 LEU A 126 -12.404 -16.726 35.212 1.00 0.00 C ATOM 0 H LEU A 126 -14.870 -14.755 32.953 1.00 0.00 H new ATOM 0 HA LEU A 126 -14.495 -15.294 35.724 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -12.901 -13.685 33.673 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -12.322 -14.046 35.287 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.225 -16.181 33.297 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -10.805 -16.638 33.005 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -11.208 -14.983 32.490 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.417 -15.258 34.060 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.073 -17.708 34.874 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.685 -16.327 35.928 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.380 -16.816 35.689 1.00 0.00 H new ATOM 1691 N GLN A 127 -15.299 -12.243 34.831 1.00 0.00 N ATOM 1692 CA GLN A 127 -15.714 -10.942 35.345 1.00 0.00 C ATOM 1693 C GLN A 127 -16.932 -11.087 36.252 1.00 0.00 C ATOM 1694 O GLN A 127 -17.007 -10.463 37.310 1.00 0.00 O ATOM 1695 CB GLN A 127 -16.051 -10.005 34.183 1.00 0.00 C ATOM 1696 CG GLN A 127 -14.757 -9.538 33.511 1.00 0.00 C ATOM 1697 CD GLN A 127 -15.082 -8.698 32.282 1.00 0.00 C ATOM 1698 OE1 GLN A 127 -16.251 -8.432 32.002 1.00 0.00 O ATOM 1699 NE2 GLN A 127 -14.112 -8.262 31.525 1.00 0.00 N ATOM 0 H GLN A 127 -15.415 -12.360 33.824 1.00 0.00 H new ATOM 0 HA GLN A 127 -14.891 -10.523 35.924 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -16.684 -10.519 33.460 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -16.615 -9.146 34.547 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -14.163 -8.954 34.214 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -14.155 -10.400 33.224 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -13.144 -8.483 31.758 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -14.322 -7.700 30.700 1.00 0.00 H new ATOM 1708 N GLN A 128 -17.881 -11.916 35.831 1.00 0.00 N ATOM 1709 CA GLN A 128 -19.092 -12.136 36.614 1.00 0.00 C ATOM 1710 C GLN A 128 -18.740 -12.630 38.013 1.00 0.00 C ATOM 1711 O GLN A 128 -19.392 -12.266 38.993 1.00 0.00 O ATOM 1712 CB GLN A 128 -19.985 -13.164 35.917 1.00 0.00 C ATOM 1713 CG GLN A 128 -20.546 -12.562 34.627 1.00 0.00 C ATOM 1714 CD GLN A 128 -21.373 -13.603 33.882 1.00 0.00 C ATOM 1715 OE1 GLN A 128 -20.844 -14.630 33.457 1.00 0.00 O ATOM 1716 NE2 GLN A 128 -22.650 -13.400 33.699 1.00 0.00 N ATOM 0 H GLN A 128 -17.837 -12.443 34.959 1.00 0.00 H new ATOM 0 HA GLN A 128 -19.626 -11.190 36.698 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -19.414 -14.065 35.692 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -20.800 -13.460 36.577 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -21.163 -11.694 34.859 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -19.730 -12.213 33.994 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -23.087 -12.548 34.052 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -23.211 -14.093 33.203 1.00 0.00 H new ATOM 1725 N TYR A 129 -17.708 -13.462 38.100 1.00 0.00 N ATOM 1726 CA TYR A 129 -17.278 -13.998 39.387 1.00 0.00 C ATOM 1727 C TYR A 129 -16.790 -12.877 40.297 1.00 0.00 C ATOM 1728 O TYR A 129 -17.032 -12.895 41.505 1.00 0.00 O ATOM 1729 CB TYR A 129 -16.154 -15.016 39.179 1.00 0.00 C ATOM 1730 CG TYR A 129 -16.749 -16.374 38.900 1.00 0.00 C ATOM 1731 CD1 TYR A 129 -16.620 -16.948 37.630 1.00 0.00 C ATOM 1732 CD2 TYR A 129 -17.430 -17.062 39.912 1.00 0.00 C ATOM 1733 CE1 TYR A 129 -17.172 -18.208 37.371 1.00 0.00 C ATOM 1734 CE2 TYR A 129 -17.981 -18.322 39.653 1.00 0.00 C ATOM 1735 CZ TYR A 129 -17.852 -18.895 38.383 1.00 0.00 C ATOM 1736 OH TYR A 129 -18.396 -20.138 38.128 1.00 0.00 O ATOM 0 H TYR A 129 -17.157 -13.778 37.302 1.00 0.00 H new ATOM 0 HA TYR A 129 -18.129 -14.489 39.859 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -15.519 -14.708 38.348 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -15.520 -15.060 40.065 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -16.094 -16.418 36.849 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -17.530 -16.620 40.892 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -17.073 -18.650 36.390 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -18.506 -18.852 40.434 1.00 0.00 H new ATOM 0 HH TYR A 129 -18.832 -20.477 38.938 1.00 0.00 H new ATOM 1746 N ARG A 130 -16.103 -11.902 39.712 1.00 0.00 N ATOM 1747 CA ARG A 130 -15.586 -10.776 40.481 1.00 0.00 C ATOM 1748 C ARG A 130 -16.725 -10.023 41.161 1.00 0.00 C ATOM 1749 O ARG A 130 -16.619 -9.636 42.324 1.00 0.00 O ATOM 1750 CB ARG A 130 -14.819 -9.823 39.562 1.00 0.00 C ATOM 1751 CG ARG A 130 -14.206 -8.694 40.393 1.00 0.00 C ATOM 1752 CD ARG A 130 -13.425 -7.751 39.477 1.00 0.00 C ATOM 1753 NE ARG A 130 -14.327 -7.105 38.530 1.00 0.00 N ATOM 1754 CZ ARG A 130 -14.954 -5.976 38.841 1.00 0.00 C ATOM 1755 NH1 ARG A 130 -15.756 -5.415 37.977 1.00 0.00 N ATOM 1756 NH2 ARG A 130 -14.768 -5.425 40.010 1.00 0.00 N ATOM 0 H ARG A 130 -15.892 -11.868 38.715 1.00 0.00 H new ATOM 0 HA ARG A 130 -14.913 -11.162 41.246 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -14.036 -10.364 39.031 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -15.489 -9.411 38.807 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -14.990 -8.145 40.914 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -13.546 -9.107 41.155 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -12.911 -6.997 40.073 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -12.659 -8.308 38.938 1.00 0.00 H new ATOM 0 HE ARG A 130 -14.479 -7.527 37.614 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -15.901 -5.844 37.063 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -16.237 -4.548 38.216 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -14.141 -5.861 40.686 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -15.250 -4.558 40.248 1.00 0.00 H new ATOM 1770 N GLU A 131 -17.814 -9.820 40.426 1.00 0.00 N ATOM 1771 CA GLU A 131 -18.968 -9.111 40.969 1.00 0.00 C ATOM 1772 C GLU A 131 -19.594 -9.903 42.112 1.00 0.00 C ATOM 1773 O GLU A 131 -20.064 -9.328 43.094 1.00 0.00 O ATOM 1774 CB GLU A 131 -20.008 -8.888 39.870 1.00 0.00 C ATOM 1775 CG GLU A 131 -19.458 -7.901 38.839 1.00 0.00 C ATOM 1776 CD GLU A 131 -20.451 -7.737 37.693 1.00 0.00 C ATOM 1777 OE1 GLU A 131 -21.500 -8.358 37.751 1.00 0.00 O ATOM 1778 OE2 GLU A 131 -20.149 -6.994 36.774 1.00 0.00 O ATOM 0 H GLU A 131 -17.922 -10.133 39.461 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.632 -8.147 41.352 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -20.252 -9.835 39.388 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -20.932 -8.502 40.302 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -19.271 -6.936 39.310 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -18.502 -8.258 38.455 1.00 0.00 H new