USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 667 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 81 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 82 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 26 TYR OH : rot 180:sc= 0.19 USER MOD Set 2.2: A 59 HIS : no HE2:sc= -0.44 K(o=-0.25,f=-6.5!) USER MOD Single : A 15 HIS : no HD1:sc= -1.73! K(o=-1.7!,f=-0.74) USER MOD Single : A 19 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0123) USER MOD Single : A 34 ASN : amide:sc= -0.743 K(o=-0.74,f=-1.8) USER MOD Single : A 35 GLN : amide:sc= -1.71 X(o=-1.7,f=-1.3) USER MOD Single : A 36 MET CE :methyl -104:sc= -2.09! (180deg=-3.26!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0.505! C(o=0.5!,f=-8.1!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 157:sc= -0.0669 (180deg=-0.404) USER MOD Single : A 56 LYS NZ :NH3+ 158:sc= 1.12 (180deg=0.887) USER MOD Single : A 57 CYS SG : rot 173:sc= -1.7! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.93! K(o=-1.9!,f=-0.79) USER MOD Single : A 67 LYS NZ :NH3+ 171:sc=-0.00586 (180deg=-0.116) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -167:sc= -2.45! (180deg=-2.65!) USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= -0.0161 (180deg=-0.184) USER MOD Single : A 80 ASN : amide:sc= -2.83! K(o=-2.8!,f=-0.94) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= 0.85 K(o=0.85,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 114 N VAL A 10 1.547 -11.304 -7.959 1.00 0.00 N ATOM 115 CA VAL A 10 0.321 -10.621 -7.580 1.00 0.00 C ATOM 116 C VAL A 10 0.619 -9.233 -7.039 1.00 0.00 C ATOM 117 O VAL A 10 1.449 -9.070 -6.143 1.00 0.00 O ATOM 118 CB VAL A 10 -0.468 -11.429 -6.523 1.00 0.00 C ATOM 119 CG1 VAL A 10 -1.724 -10.685 -6.089 1.00 0.00 C ATOM 120 CG2 VAL A 10 -0.825 -12.807 -7.063 1.00 0.00 C ATOM 0 HA VAL A 10 -0.290 -10.530 -8.478 1.00 0.00 H new ATOM 0 HB VAL A 10 0.170 -11.552 -5.648 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.259 -11.276 -5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.446 -9.724 -5.657 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.367 -10.522 -6.954 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.380 -13.362 -6.306 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.439 -12.700 -7.957 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.088 -13.348 -7.313 1.00 0.00 H new ATOM 130 N ASP A 11 -0.050 -8.234 -7.595 1.00 0.00 N ATOM 131 CA ASP A 11 0.081 -6.870 -7.115 1.00 0.00 C ATOM 132 C ASP A 11 -1.284 -6.324 -6.712 1.00 0.00 C ATOM 133 O ASP A 11 -2.227 -6.311 -7.500 1.00 0.00 O ATOM 134 CB ASP A 11 0.744 -5.959 -8.164 1.00 0.00 C ATOM 135 CG ASP A 11 -0.089 -5.760 -9.420 1.00 0.00 C ATOM 136 OD1 ASP A 11 0.056 -6.560 -10.369 1.00 0.00 O ATOM 137 OD2 ASP A 11 -0.873 -4.789 -9.475 1.00 0.00 O ATOM 0 H ASP A 11 -0.690 -8.345 -8.381 1.00 0.00 H new ATOM 0 HA ASP A 11 0.731 -6.882 -6.240 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.942 -4.987 -7.713 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.708 -6.384 -8.443 1.00 0.00 H new ATOM 142 N VAL A 12 -1.396 -5.921 -5.463 1.00 0.00 N ATOM 143 CA VAL A 12 -2.629 -5.338 -4.958 1.00 0.00 C ATOM 144 C VAL A 12 -2.507 -3.821 -4.950 1.00 0.00 C ATOM 145 O VAL A 12 -1.612 -3.275 -4.310 1.00 0.00 O ATOM 146 CB VAL A 12 -2.955 -5.846 -3.536 1.00 0.00 C ATOM 147 CG1 VAL A 12 -4.254 -5.244 -3.026 1.00 0.00 C ATOM 148 CG2 VAL A 12 -3.025 -7.368 -3.516 1.00 0.00 C ATOM 0 H VAL A 12 -0.647 -5.986 -4.774 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.444 -5.641 -5.615 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.153 -5.527 -2.871 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.460 -5.618 -2.023 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.165 -4.158 -2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.071 -5.523 -3.692 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.256 -7.708 -2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.804 -7.705 -4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.065 -7.780 -3.828 1.00 0.00 H new ATOM 158 N GLU A 13 -3.399 -3.140 -5.656 1.00 0.00 N ATOM 159 CA GLU A 13 -3.270 -1.709 -5.844 1.00 0.00 C ATOM 160 C GLU A 13 -4.061 -0.954 -4.796 1.00 0.00 C ATOM 161 O GLU A 13 -5.293 -0.983 -4.790 1.00 0.00 O ATOM 162 CB GLU A 13 -3.735 -1.293 -7.241 1.00 0.00 C ATOM 163 CG GLU A 13 -2.920 -1.897 -8.369 1.00 0.00 C ATOM 164 CD GLU A 13 -3.347 -1.376 -9.725 1.00 0.00 C ATOM 165 OE1 GLU A 13 -4.445 -1.742 -10.186 1.00 0.00 O ATOM 166 OE2 GLU A 13 -2.590 -0.592 -10.333 1.00 0.00 O ATOM 0 H GLU A 13 -4.215 -3.557 -6.105 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.214 -1.459 -5.739 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.779 -1.581 -7.366 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.693 -0.207 -7.318 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.865 -1.675 -8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.023 -2.982 -8.349 1.00 0.00 H new ATOM 173 N ILE A 14 -3.346 -0.278 -3.921 1.00 0.00 N ATOM 174 CA ILE A 14 -3.969 0.556 -2.922 1.00 0.00 C ATOM 175 C ILE A 14 -3.849 2.008 -3.370 1.00 0.00 C ATOM 176 O ILE A 14 -2.835 2.387 -3.957 1.00 0.00 O ATOM 177 CB ILE A 14 -3.305 0.383 -1.536 1.00 0.00 C ATOM 178 CG1 ILE A 14 -3.044 -1.103 -1.243 1.00 0.00 C ATOM 179 CG2 ILE A 14 -4.188 0.987 -0.454 1.00 0.00 C ATOM 180 CD1 ILE A 14 -2.290 -1.355 0.048 1.00 0.00 C ATOM 0 H ILE A 14 -2.327 -0.292 -3.884 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.014 0.264 -2.822 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.348 0.905 -1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.999 -1.628 -1.202 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.480 -1.532 -2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.711 0.860 0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.331 2.049 -0.652 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.156 0.485 -0.452 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.146 -2.427 0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.319 -0.861 0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.862 -0.958 0.887 1.00 0.00 H new ATOM 192 N HIS A 15 -4.865 2.823 -3.124 1.00 0.00 N ATOM 193 CA HIS A 15 -4.832 4.195 -3.599 1.00 0.00 C ATOM 194 C HIS A 15 -4.914 5.173 -2.442 1.00 0.00 C ATOM 195 O HIS A 15 -5.943 5.286 -1.773 1.00 0.00 O ATOM 196 CB HIS A 15 -5.955 4.444 -4.605 1.00 0.00 C ATOM 197 CG HIS A 15 -5.638 3.944 -5.980 1.00 0.00 C ATOM 198 ND1 HIS A 15 -6.091 2.739 -6.473 1.00 0.00 N ATOM 199 CD2 HIS A 15 -4.892 4.494 -6.965 1.00 0.00 C ATOM 200 CE1 HIS A 15 -5.632 2.568 -7.698 1.00 0.00 C ATOM 201 NE2 HIS A 15 -4.904 3.620 -8.022 1.00 0.00 N ATOM 0 H HIS A 15 -5.706 2.564 -2.608 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.880 4.356 -4.105 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.865 3.960 -4.251 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -6.160 5.513 -4.653 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.382 5.445 -6.926 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -5.820 1.712 -8.329 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.428 3.760 -8.913 1.00 0.00 H new ATOM 210 N PHE A 16 -3.823 5.878 -2.217 1.00 0.00 N ATOM 211 CA PHE A 16 -3.744 6.843 -1.141 1.00 0.00 C ATOM 212 C PHE A 16 -3.693 8.253 -1.705 1.00 0.00 C ATOM 213 O PHE A 16 -2.764 8.603 -2.426 1.00 0.00 O ATOM 214 CB PHE A 16 -2.503 6.599 -0.279 1.00 0.00 C ATOM 215 CG PHE A 16 -2.522 5.320 0.504 1.00 0.00 C ATOM 216 CD1 PHE A 16 -3.700 4.824 1.042 1.00 0.00 C ATOM 217 CD2 PHE A 16 -1.348 4.624 0.721 1.00 0.00 C ATOM 218 CE1 PHE A 16 -3.700 3.657 1.779 1.00 0.00 C ATOM 219 CE2 PHE A 16 -1.343 3.455 1.454 1.00 0.00 C ATOM 220 CZ PHE A 16 -2.518 2.973 1.982 1.00 0.00 C ATOM 0 H PHE A 16 -2.971 5.798 -2.772 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.633 6.728 -0.521 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.624 6.601 -0.924 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.391 7.432 0.415 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.626 5.356 0.883 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.422 5.000 0.311 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.622 3.280 2.196 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.419 2.920 1.613 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.516 2.058 2.556 1.00 0.00 H new ATOM 230 N PRO A 17 -4.700 9.076 -1.397 1.00 0.00 N ATOM 231 CA PRO A 17 -4.701 10.488 -1.784 1.00 0.00 C ATOM 232 C PRO A 17 -3.488 11.210 -1.213 1.00 0.00 C ATOM 233 O PRO A 17 -3.221 11.161 -0.010 1.00 0.00 O ATOM 234 CB PRO A 17 -5.988 11.028 -1.161 1.00 0.00 C ATOM 235 CG PRO A 17 -6.848 9.833 -0.946 1.00 0.00 C ATOM 236 CD PRO A 17 -5.911 8.701 -0.653 1.00 0.00 C ATOM 0 HA PRO A 17 -4.655 10.629 -2.864 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.785 11.542 -0.221 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.472 11.749 -1.820 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.539 9.993 -0.118 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.452 9.622 -1.829 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.715 8.605 0.415 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.313 7.746 -0.991 1.00 0.00 H new ATOM 244 N LEU A 18 -2.772 11.884 -2.116 1.00 0.00 N ATOM 245 CA LEU A 18 -1.500 12.544 -1.828 1.00 0.00 C ATOM 246 C LEU A 18 -1.598 13.421 -0.581 1.00 0.00 C ATOM 247 O LEU A 18 -0.720 13.390 0.273 1.00 0.00 O ATOM 248 CB LEU A 18 -1.091 13.390 -3.052 1.00 0.00 C ATOM 249 CG LEU A 18 0.401 13.750 -3.208 1.00 0.00 C ATOM 250 CD1 LEU A 18 0.917 14.590 -2.049 1.00 0.00 C ATOM 251 CD2 LEU A 18 1.242 12.497 -3.370 1.00 0.00 C ATOM 0 H LEU A 18 -3.068 11.987 -3.087 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.743 11.785 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.403 12.855 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.659 14.320 -3.022 1.00 0.00 H new ATOM 0 HG LEU A 18 0.489 14.355 -4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.972 14.817 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.350 15.519 -1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.800 14.036 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.291 12.774 -3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.123 11.863 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.917 11.953 -4.257 1.00 0.00 H new ATOM 263 N LYS A 19 -2.669 14.196 -0.477 1.00 0.00 N ATOM 264 CA LYS A 19 -2.824 15.117 0.642 1.00 0.00 C ATOM 265 C LYS A 19 -3.269 14.426 1.930 1.00 0.00 C ATOM 266 O LYS A 19 -3.102 14.972 3.016 1.00 0.00 O ATOM 267 CB LYS A 19 -3.776 16.269 0.305 1.00 0.00 C ATOM 268 CG LYS A 19 -5.049 15.886 -0.439 1.00 0.00 C ATOM 269 CD LYS A 19 -5.939 17.113 -0.605 1.00 0.00 C ATOM 270 CE LYS A 19 -7.085 16.887 -1.571 1.00 0.00 C ATOM 271 NZ LYS A 19 -7.939 15.728 -1.205 1.00 0.00 N ATOM 0 H LYS A 19 -3.438 14.206 -1.147 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.830 15.527 0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.057 16.766 1.234 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.233 16.999 -0.295 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.800 15.471 -1.416 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.582 15.110 0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.341 17.397 0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.334 17.949 -0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.701 17.786 -1.611 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.683 16.732 -2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.751 15.677 -1.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.384 14.852 -1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.281 15.843 -0.230 1.00 0.00 H new ATOM 285 N ARG A 20 -3.837 13.235 1.822 1.00 0.00 N ATOM 286 CA ARG A 20 -4.310 12.534 3.014 1.00 0.00 C ATOM 287 C ARG A 20 -3.228 11.628 3.586 1.00 0.00 C ATOM 288 O ARG A 20 -3.084 11.524 4.799 1.00 0.00 O ATOM 289 CB ARG A 20 -5.559 11.700 2.721 1.00 0.00 C ATOM 290 CG ARG A 20 -6.685 12.472 2.067 1.00 0.00 C ATOM 291 CD ARG A 20 -7.045 13.725 2.841 1.00 0.00 C ATOM 292 NE ARG A 20 -7.477 13.438 4.208 1.00 0.00 N ATOM 293 CZ ARG A 20 -7.135 14.162 5.277 1.00 0.00 C ATOM 294 NH1 ARG A 20 -6.295 15.181 5.156 1.00 0.00 N ATOM 295 NH2 ARG A 20 -7.630 13.854 6.471 1.00 0.00 N ATOM 0 H ARG A 20 -3.982 12.739 0.943 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.563 13.300 3.747 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.282 10.867 2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.923 11.271 3.655 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.395 12.745 1.052 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.563 11.832 1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.182 14.391 2.869 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.840 14.255 2.317 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.081 12.629 4.355 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.906 15.416 4.243 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.038 15.730 5.976 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.270 13.066 6.570 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.370 14.406 7.289 1.00 0.00 H new ATOM 309 N ILE A 21 -2.443 11.004 2.718 1.00 0.00 N ATOM 310 CA ILE A 21 -1.381 10.106 3.167 1.00 0.00 C ATOM 311 C ILE A 21 -0.225 10.918 3.752 1.00 0.00 C ATOM 312 O ILE A 21 0.642 10.388 4.444 1.00 0.00 O ATOM 313 CB ILE A 21 -0.885 9.203 2.013 1.00 0.00 C ATOM 314 CG1 ILE A 21 0.045 8.092 2.527 1.00 0.00 C ATOM 315 CG2 ILE A 21 -0.182 10.029 0.942 1.00 0.00 C ATOM 316 CD1 ILE A 21 -0.543 7.258 3.645 1.00 0.00 C ATOM 0 H ILE A 21 -2.518 11.100 1.705 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.786 9.456 3.943 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.761 8.730 1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.302 7.435 1.696 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.974 8.544 2.876 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.158 9.373 0.141 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.876 10.766 0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.675 10.540 1.381 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.177 6.498 3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.774 7.900 4.495 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.456 6.775 3.297 1.00 0.00 H new ATOM 328 N ALA A 22 -0.241 12.217 3.478 1.00 0.00 N ATOM 329 CA ALA A 22 0.748 13.138 4.019 1.00 0.00 C ATOM 330 C ALA A 22 0.247 13.755 5.321 1.00 0.00 C ATOM 331 O ALA A 22 0.936 14.561 5.948 1.00 0.00 O ATOM 332 CB ALA A 22 1.058 14.227 3.004 1.00 0.00 C ATOM 0 H ALA A 22 -0.937 12.659 2.877 1.00 0.00 H new ATOM 0 HA ALA A 22 1.662 12.583 4.230 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.799 14.911 3.419 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.451 13.775 2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.147 14.778 2.771 1.00 0.00 H new ATOM 338 N ALA A 23 -0.959 13.374 5.718 1.00 0.00 N ATOM 339 CA ALA A 23 -1.572 13.900 6.928 1.00 0.00 C ATOM 340 C ALA A 23 -1.364 12.938 8.086 1.00 0.00 C ATOM 341 O ALA A 23 -1.206 11.735 7.890 1.00 0.00 O ATOM 342 CB ALA A 23 -3.055 14.148 6.702 1.00 0.00 C ATOM 0 H ALA A 23 -1.535 12.698 5.216 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.096 14.848 7.177 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.501 14.541 7.615 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.184 14.869 5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.544 13.211 6.434 1.00 0.00 H new ATOM 348 N GLU A 24 -1.365 13.479 9.297 1.00 0.00 N ATOM 349 CA GLU A 24 -1.125 12.685 10.491 1.00 0.00 C ATOM 350 C GLU A 24 -2.434 12.086 10.996 1.00 0.00 C ATOM 351 O GLU A 24 -2.442 11.067 11.682 1.00 0.00 O ATOM 352 CB GLU A 24 -0.472 13.547 11.573 1.00 0.00 C ATOM 353 CG GLU A 24 0.065 12.753 12.751 1.00 0.00 C ATOM 354 CD GLU A 24 0.788 13.623 13.755 1.00 0.00 C ATOM 355 OE1 GLU A 24 0.123 14.184 14.649 1.00 0.00 O ATOM 356 OE2 GLU A 24 2.028 13.756 13.655 1.00 0.00 O ATOM 0 H GLU A 24 -1.530 14.469 9.477 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.446 11.869 10.244 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.345 14.115 11.128 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.202 14.270 11.937 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.760 12.241 13.246 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.745 11.983 12.386 1.00 0.00 H new ATOM 363 N GLY A 25 -3.541 12.722 10.630 1.00 0.00 N ATOM 364 CA GLY A 25 -4.851 12.207 10.984 1.00 0.00 C ATOM 365 C GLY A 25 -5.406 11.303 9.905 1.00 0.00 C ATOM 366 O GLY A 25 -6.608 11.043 9.845 1.00 0.00 O ATOM 0 H GLY A 25 -3.555 13.589 10.092 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.784 11.656 11.922 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.536 13.038 11.151 1.00 0.00 H new ATOM 370 N TYR A 26 -4.511 10.825 9.051 1.00 0.00 N ATOM 371 CA TYR A 26 -4.866 9.963 7.929 1.00 0.00 C ATOM 372 C TYR A 26 -5.494 8.650 8.392 1.00 0.00 C ATOM 373 O TYR A 26 -6.230 8.009 7.647 1.00 0.00 O ATOM 374 CB TYR A 26 -3.626 9.679 7.072 1.00 0.00 C ATOM 375 CG TYR A 26 -2.560 8.821 7.738 1.00 0.00 C ATOM 376 CD1 TYR A 26 -2.311 8.879 9.109 1.00 0.00 C ATOM 377 CD2 TYR A 26 -1.789 7.959 6.979 1.00 0.00 C ATOM 378 CE1 TYR A 26 -1.335 8.100 9.692 1.00 0.00 C ATOM 379 CE2 TYR A 26 -0.812 7.179 7.557 1.00 0.00 C ATOM 380 CZ TYR A 26 -0.590 7.251 8.911 1.00 0.00 C ATOM 381 OH TYR A 26 0.395 6.481 9.483 1.00 0.00 O ATOM 0 H TYR A 26 -3.513 11.025 9.116 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.610 10.490 7.332 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.944 9.186 6.153 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.177 10.630 6.785 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.894 9.547 9.726 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.956 7.896 5.914 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.157 8.157 10.756 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.221 6.512 6.947 1.00 0.00 H new ATOM 0 HH TYR A 26 0.826 5.936 8.792 1.00 0.00 H new ATOM 391 N ALA A 27 -5.214 8.262 9.632 1.00 0.00 N ATOM 392 CA ALA A 27 -5.734 7.017 10.184 1.00 0.00 C ATOM 393 C ALA A 27 -7.242 7.098 10.373 1.00 0.00 C ATOM 394 O ALA A 27 -7.911 6.088 10.590 1.00 0.00 O ATOM 395 CB ALA A 27 -5.051 6.703 11.506 1.00 0.00 C ATOM 0 H ALA A 27 -4.628 8.794 10.275 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.522 6.213 9.479 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.448 5.771 11.908 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.978 6.601 11.346 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.237 7.512 12.213 1.00 0.00 H new ATOM 401 N GLU A 28 -7.765 8.310 10.289 1.00 0.00 N ATOM 402 CA GLU A 28 -9.189 8.543 10.428 1.00 0.00 C ATOM 403 C GLU A 28 -9.755 9.108 9.132 1.00 0.00 C ATOM 404 O GLU A 28 -10.906 9.547 9.080 1.00 0.00 O ATOM 405 CB GLU A 28 -9.442 9.505 11.587 1.00 0.00 C ATOM 406 CG GLU A 28 -8.840 9.030 12.899 1.00 0.00 C ATOM 407 CD GLU A 28 -9.017 10.030 14.017 1.00 0.00 C ATOM 408 OE1 GLU A 28 -10.077 10.014 14.672 1.00 0.00 O ATOM 409 OE2 GLU A 28 -8.094 10.840 14.249 1.00 0.00 O ATOM 0 H GLU A 28 -7.217 9.154 10.124 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.690 7.598 10.640 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.028 10.482 11.337 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.517 9.637 11.714 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.302 8.085 13.185 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.777 8.834 12.757 1.00 0.00 H new ATOM 416 N ASP A 29 -8.942 9.087 8.083 1.00 0.00 N ATOM 417 CA ASP A 29 -9.355 9.614 6.792 1.00 0.00 C ATOM 418 C ASP A 29 -10.138 8.577 6.013 1.00 0.00 C ATOM 419 O ASP A 29 -9.616 7.511 5.664 1.00 0.00 O ATOM 420 CB ASP A 29 -8.152 10.061 5.970 1.00 0.00 C ATOM 421 CG ASP A 29 -8.559 10.457 4.569 1.00 0.00 C ATOM 422 OD1 ASP A 29 -9.209 11.512 4.415 1.00 0.00 O ATOM 423 OD2 ASP A 29 -8.254 9.710 3.624 1.00 0.00 O ATOM 0 H ASP A 29 -7.994 8.711 8.103 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.993 10.477 6.982 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.666 10.904 6.462 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.421 9.254 5.924 1.00 0.00 H new ATOM 428 N GLU A 30 -11.384 8.923 5.701 1.00 0.00 N ATOM 429 CA GLU A 30 -12.320 7.982 5.120 1.00 0.00 C ATOM 430 C GLU A 30 -11.815 7.470 3.784 1.00 0.00 C ATOM 431 O GLU A 30 -12.040 6.322 3.441 1.00 0.00 O ATOM 432 CB GLU A 30 -13.693 8.620 4.935 1.00 0.00 C ATOM 433 CG GLU A 30 -14.786 7.603 4.668 1.00 0.00 C ATOM 434 CD GLU A 30 -16.047 8.226 4.120 1.00 0.00 C ATOM 435 OE1 GLU A 30 -16.584 9.154 4.758 1.00 0.00 O ATOM 436 OE2 GLU A 30 -16.514 7.775 3.054 1.00 0.00 O ATOM 0 H GLU A 30 -11.765 9.858 5.845 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.410 7.143 5.810 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.946 9.191 5.828 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.651 9.327 4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.418 6.859 3.962 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.019 7.077 5.593 1.00 0.00 H new ATOM 443 N LEU A 31 -11.109 8.316 3.042 1.00 0.00 N ATOM 444 CA LEU A 31 -10.580 7.924 1.759 1.00 0.00 C ATOM 445 C LEU A 31 -9.573 6.811 1.934 1.00 0.00 C ATOM 446 O LEU A 31 -9.651 5.773 1.286 1.00 0.00 O ATOM 447 CB LEU A 31 -9.897 9.123 1.110 1.00 0.00 C ATOM 448 CG LEU A 31 -10.752 9.901 0.110 1.00 0.00 C ATOM 449 CD1 LEU A 31 -10.061 11.192 -0.295 1.00 0.00 C ATOM 450 CD2 LEU A 31 -11.038 9.055 -1.117 1.00 0.00 C ATOM 0 H LEU A 31 -10.895 9.275 3.315 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.395 7.573 1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.575 9.806 1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.998 8.776 0.601 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.698 10.149 0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.686 11.731 -1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.900 11.811 0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.101 10.961 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.648 9.625 -1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.098 8.778 -1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.574 8.153 -0.820 1.00 0.00 H new ATOM 462 N LEU A 32 -8.691 7.001 2.886 1.00 0.00 N ATOM 463 CA LEU A 32 -7.628 6.075 3.134 1.00 0.00 C ATOM 464 C LEU A 32 -8.224 4.758 3.610 1.00 0.00 C ATOM 465 O LEU A 32 -7.798 3.669 3.213 1.00 0.00 O ATOM 466 CB LEU A 32 -6.727 6.695 4.187 1.00 0.00 C ATOM 467 CG LEU A 32 -5.245 6.418 4.023 1.00 0.00 C ATOM 468 CD1 LEU A 32 -4.611 7.449 3.100 1.00 0.00 C ATOM 469 CD2 LEU A 32 -4.550 6.390 5.372 1.00 0.00 C ATOM 0 H LEU A 32 -8.696 7.808 3.510 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.045 5.870 2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.880 7.774 4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.040 6.334 5.167 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.125 5.435 3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.547 7.236 2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.090 7.405 2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.741 8.445 3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.488 6.190 5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.675 7.354 5.866 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.987 5.606 5.990 1.00 0.00 H new ATOM 481 N LEU A 33 -9.257 4.891 4.428 1.00 0.00 N ATOM 482 CA LEU A 33 -9.992 3.756 4.952 1.00 0.00 C ATOM 483 C LEU A 33 -10.775 3.032 3.865 1.00 0.00 C ATOM 484 O LEU A 33 -10.831 1.808 3.851 1.00 0.00 O ATOM 485 CB LEU A 33 -10.958 4.217 6.025 1.00 0.00 C ATOM 486 CG LEU A 33 -10.631 3.746 7.444 1.00 0.00 C ATOM 487 CD1 LEU A 33 -10.621 2.227 7.523 1.00 0.00 C ATOM 488 CD2 LEU A 33 -9.296 4.316 7.899 1.00 0.00 C ATOM 0 H LEU A 33 -9.608 5.794 4.747 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.261 3.063 5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.989 5.307 6.019 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.958 3.868 5.765 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.409 4.113 8.113 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.386 1.917 8.541 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.602 1.842 7.243 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.868 1.832 6.841 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.079 3.971 8.910 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.508 3.981 7.224 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.343 5.405 7.889 1.00 0.00 H new ATOM 500 N ASN A 34 -11.405 3.791 2.978 1.00 0.00 N ATOM 501 CA ASN A 34 -12.239 3.208 1.930 1.00 0.00 C ATOM 502 C ASN A 34 -11.406 2.402 0.958 1.00 0.00 C ATOM 503 O ASN A 34 -11.729 1.249 0.677 1.00 0.00 O ATOM 504 CB ASN A 34 -13.018 4.281 1.160 1.00 0.00 C ATOM 505 CG ASN A 34 -14.118 4.925 1.981 1.00 0.00 C ATOM 506 OD1 ASN A 34 -14.658 4.319 2.904 1.00 0.00 O ATOM 507 ND2 ASN A 34 -14.468 6.156 1.639 1.00 0.00 N ATOM 0 H ASN A 34 -11.356 4.810 2.961 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.952 2.550 2.427 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.325 5.053 0.824 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.455 3.833 0.267 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.211 6.635 2.148 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.995 6.625 0.866 1.00 0.00 H new ATOM 514 N GLN A 35 -10.322 2.992 0.474 1.00 0.00 N ATOM 515 CA GLN A 35 -9.498 2.323 -0.529 1.00 0.00 C ATOM 516 C GLN A 35 -8.813 1.109 0.077 1.00 0.00 C ATOM 517 O GLN A 35 -8.852 -0.003 -0.483 1.00 0.00 O ATOM 518 CB GLN A 35 -8.426 3.258 -1.102 1.00 0.00 C ATOM 519 CG GLN A 35 -8.916 4.244 -2.156 1.00 0.00 C ATOM 520 CD GLN A 35 -9.600 5.452 -1.573 1.00 0.00 C ATOM 521 OE1 GLN A 35 -10.823 5.493 -1.449 1.00 0.00 O ATOM 522 NE2 GLN A 35 -8.809 6.430 -1.162 1.00 0.00 N ATOM 0 H GLN A 35 -9.994 3.917 0.752 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.163 2.018 -1.337 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.982 3.821 -0.281 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.633 2.650 -1.538 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.069 4.571 -2.759 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.606 3.733 -2.827 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.799 6.355 -1.285 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -9.209 7.259 -0.723 1.00 0.00 H new ATOM 531 N MET A 36 -8.232 1.300 1.255 1.00 0.00 N ATOM 532 CA MET A 36 -7.548 0.208 1.899 1.00 0.00 C ATOM 533 C MET A 36 -8.557 -0.837 2.308 1.00 0.00 C ATOM 534 O MET A 36 -8.352 -2.004 2.054 1.00 0.00 O ATOM 535 CB MET A 36 -6.724 0.661 3.104 1.00 0.00 C ATOM 536 CG MET A 36 -5.828 -0.447 3.631 1.00 0.00 C ATOM 537 SD MET A 36 -4.860 -1.205 2.312 1.00 0.00 S ATOM 538 CE MET A 36 -4.184 -2.645 3.130 1.00 0.00 C ATOM 0 H MET A 36 -8.224 2.182 1.767 1.00 0.00 H new ATOM 0 HA MET A 36 -6.842 -0.215 1.184 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.113 1.519 2.823 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.394 0.993 3.897 1.00 0.00 H new ATOM 0 HG2 MET A 36 -5.157 -0.043 4.389 1.00 0.00 H new ATOM 0 HG3 MET A 36 -6.438 -1.208 4.118 1.00 0.00 H new ATOM 0 HE1 MET A 36 -3.134 -2.471 3.365 1.00 0.00 H new ATOM 0 HE2 MET A 36 -4.736 -2.833 4.051 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.270 -3.510 2.473 1.00 0.00 H new ATOM 548 N GLY A 37 -9.670 -0.393 2.890 1.00 0.00 N ATOM 549 CA GLY A 37 -10.729 -1.303 3.304 1.00 0.00 C ATOM 550 C GLY A 37 -11.218 -2.181 2.170 1.00 0.00 C ATOM 551 O GLY A 37 -11.595 -3.335 2.386 1.00 0.00 O ATOM 0 H GLY A 37 -9.859 0.590 3.084 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.365 -1.933 4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.565 -0.726 3.699 1.00 0.00 H new ATOM 555 N LYS A 38 -11.220 -1.629 0.962 1.00 0.00 N ATOM 556 CA LYS A 38 -11.545 -2.394 -0.233 1.00 0.00 C ATOM 557 C LYS A 38 -10.558 -3.537 -0.422 1.00 0.00 C ATOM 558 O LYS A 38 -10.954 -4.679 -0.664 1.00 0.00 O ATOM 559 CB LYS A 38 -11.515 -1.496 -1.468 1.00 0.00 C ATOM 560 CG LYS A 38 -12.699 -0.548 -1.576 1.00 0.00 C ATOM 561 CD LYS A 38 -14.014 -1.306 -1.632 1.00 0.00 C ATOM 562 CE LYS A 38 -15.193 -0.367 -1.806 1.00 0.00 C ATOM 563 NZ LYS A 38 -16.488 -1.093 -1.747 1.00 0.00 N ATOM 0 H LYS A 38 -10.999 -0.649 0.785 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.548 -2.802 -0.107 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.595 -0.911 -1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.483 -2.123 -2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.704 0.129 -0.722 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.594 0.067 -2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.990 -2.017 -2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.141 -1.884 -0.717 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.168 0.396 -1.028 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.109 0.149 -2.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.270 -0.418 -1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.522 -1.804 -2.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.580 -1.565 -0.825 1.00 0.00 H new ATOM 577 N VAL A 39 -9.274 -3.228 -0.320 1.00 0.00 N ATOM 578 CA VAL A 39 -8.238 -4.249 -0.468 1.00 0.00 C ATOM 579 C VAL A 39 -7.613 -4.619 0.882 1.00 0.00 C ATOM 580 O VAL A 39 -6.401 -4.795 0.997 1.00 0.00 O ATOM 581 CB VAL A 39 -7.137 -3.785 -1.448 1.00 0.00 C ATOM 582 CG1 VAL A 39 -7.686 -3.706 -2.864 1.00 0.00 C ATOM 583 CG2 VAL A 39 -6.565 -2.436 -1.027 1.00 0.00 C ATOM 0 H VAL A 39 -8.923 -2.288 -0.137 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.721 -5.137 -0.876 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.332 -4.519 -1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.898 -3.378 -3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.043 -4.689 -3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.511 -2.994 -2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.792 -2.132 -1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.360 -1.691 -1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.133 -2.519 -0.030 1.00 0.00 H new ATOM 593 N ASN A 40 -8.457 -4.767 1.900 1.00 0.00 N ATOM 594 CA ASN A 40 -7.975 -4.929 3.270 1.00 0.00 C ATOM 595 C ASN A 40 -8.375 -6.269 3.859 1.00 0.00 C ATOM 596 O ASN A 40 -7.624 -6.867 4.630 1.00 0.00 O ATOM 597 CB ASN A 40 -8.550 -3.817 4.145 1.00 0.00 C ATOM 598 CG ASN A 40 -7.720 -3.523 5.383 1.00 0.00 C ATOM 599 OD1 ASN A 40 -7.646 -2.378 5.827 1.00 0.00 O ATOM 600 ND2 ASN A 40 -7.112 -4.542 5.960 1.00 0.00 N ATOM 0 H ASN A 40 -9.472 -4.778 1.804 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.886 -4.879 3.244 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.635 -2.907 3.551 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.559 -4.093 4.452 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.558 -4.394 6.803 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.196 -5.478 5.563 1.00 0.00 H new ATOM 607 N ASP A 41 -9.556 -6.735 3.503 1.00 0.00 N ATOM 608 CA ASP A 41 -10.128 -7.911 4.141 1.00 0.00 C ATOM 609 C ASP A 41 -9.561 -9.178 3.528 1.00 0.00 C ATOM 610 O ASP A 41 -9.442 -10.209 4.190 1.00 0.00 O ATOM 611 CB ASP A 41 -11.654 -7.886 4.010 1.00 0.00 C ATOM 612 CG ASP A 41 -12.319 -9.062 4.694 1.00 0.00 C ATOM 613 OD1 ASP A 41 -12.284 -9.122 5.942 1.00 0.00 O ATOM 614 OD2 ASP A 41 -12.893 -9.919 3.992 1.00 0.00 O ATOM 0 H ASP A 41 -10.140 -6.320 2.777 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.866 -7.899 5.199 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.036 -6.959 4.437 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.924 -7.885 2.954 1.00 0.00 H new ATOM 619 N THR A 42 -9.193 -9.085 2.263 1.00 0.00 N ATOM 620 CA THR A 42 -8.576 -10.195 1.563 1.00 0.00 C ATOM 621 C THR A 42 -7.269 -9.770 0.895 1.00 0.00 C ATOM 622 O THR A 42 -7.165 -9.761 -0.333 1.00 0.00 O ATOM 623 CB THR A 42 -9.532 -10.780 0.506 1.00 0.00 C ATOM 624 OG1 THR A 42 -10.256 -9.721 -0.147 1.00 0.00 O ATOM 625 CG2 THR A 42 -10.508 -11.759 1.141 1.00 0.00 C ATOM 0 H THR A 42 -9.312 -8.245 1.697 1.00 0.00 H new ATOM 0 HA THR A 42 -8.355 -10.963 2.304 1.00 0.00 H new ATOM 0 HB THR A 42 -8.936 -11.316 -0.233 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.860 -10.103 -0.818 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.173 -12.159 0.375 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.954 -12.576 1.604 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.097 -11.245 1.900 1.00 0.00 H new ATOM 633 N PRO A 43 -6.248 -9.399 1.692 1.00 0.00 N ATOM 634 CA PRO A 43 -4.941 -9.040 1.168 1.00 0.00 C ATOM 635 C PRO A 43 -4.019 -10.252 1.085 1.00 0.00 C ATOM 636 O PRO A 43 -2.821 -10.114 0.830 1.00 0.00 O ATOM 637 CB PRO A 43 -4.431 -8.054 2.211 1.00 0.00 C ATOM 638 CG PRO A 43 -5.006 -8.539 3.501 1.00 0.00 C ATOM 639 CD PRO A 43 -6.281 -9.282 3.164 1.00 0.00 C ATOM 0 HA PRO A 43 -4.982 -8.637 0.156 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.342 -8.039 2.243 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.757 -7.038 1.989 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.302 -9.194 4.015 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.212 -7.704 4.170 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.310 -10.261 3.642 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.162 -8.736 3.501 1.00 0.00 H new ATOM 647 N GLU A 44 -4.599 -11.428 1.351 1.00 0.00 N ATOM 648 CA GLU A 44 -3.894 -12.713 1.323 1.00 0.00 C ATOM 649 C GLU A 44 -2.980 -12.875 2.540 1.00 0.00 C ATOM 650 O GLU A 44 -3.026 -13.896 3.229 1.00 0.00 O ATOM 651 CB GLU A 44 -3.104 -12.884 0.017 1.00 0.00 C ATOM 652 CG GLU A 44 -2.433 -14.242 -0.126 1.00 0.00 C ATOM 653 CD GLU A 44 -3.422 -15.393 -0.137 1.00 0.00 C ATOM 654 OE1 GLU A 44 -3.737 -15.926 0.950 1.00 0.00 O ATOM 655 OE2 GLU A 44 -3.881 -15.781 -1.233 1.00 0.00 O ATOM 0 H GLU A 44 -5.586 -11.514 1.595 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.647 -13.500 1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.778 -12.733 -0.826 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.343 -12.106 -0.040 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.853 -14.259 -1.049 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.730 -14.382 0.695 1.00 0.00 H new ATOM 662 N GLU A 45 -2.169 -11.863 2.810 1.00 0.00 N ATOM 663 CA GLU A 45 -1.217 -11.918 3.913 1.00 0.00 C ATOM 664 C GLU A 45 -1.914 -11.964 5.270 1.00 0.00 C ATOM 665 O GLU A 45 -2.074 -13.032 5.860 1.00 0.00 O ATOM 666 CB GLU A 45 -0.256 -10.724 3.867 1.00 0.00 C ATOM 667 CG GLU A 45 0.557 -10.652 2.593 1.00 0.00 C ATOM 668 CD GLU A 45 1.037 -12.015 2.158 1.00 0.00 C ATOM 669 OE1 GLU A 45 1.889 -12.600 2.856 1.00 0.00 O ATOM 670 OE2 GLU A 45 0.554 -12.517 1.125 1.00 0.00 O ATOM 0 H GLU A 45 -2.150 -10.992 2.280 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.650 -12.841 3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.828 -9.803 3.976 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.422 -10.781 4.719 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.047 -10.209 1.801 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.414 -9.996 2.745 1.00 0.00 H new ATOM 677 N GLU A 46 -2.341 -10.807 5.754 1.00 0.00 N ATOM 678 CA GLU A 46 -2.876 -10.702 7.101 1.00 0.00 C ATOM 679 C GLU A 46 -4.239 -10.019 7.109 1.00 0.00 C ATOM 680 O GLU A 46 -5.263 -10.649 7.360 1.00 0.00 O ATOM 681 CB GLU A 46 -1.906 -9.913 7.980 1.00 0.00 C ATOM 682 CG GLU A 46 -0.503 -10.496 8.029 1.00 0.00 C ATOM 683 CD GLU A 46 0.457 -9.632 8.817 1.00 0.00 C ATOM 684 OE1 GLU A 46 0.470 -9.741 10.060 1.00 0.00 O ATOM 685 OE2 GLU A 46 1.207 -8.846 8.202 1.00 0.00 O ATOM 0 H GLU A 46 -2.327 -9.930 5.234 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.999 -11.711 7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.850 -8.888 7.613 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.305 -9.867 8.993 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.542 -11.490 8.475 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.128 -10.617 7.013 1.00 0.00 H new ATOM 692 N GLY A 47 -4.231 -8.728 6.826 1.00 0.00 N ATOM 693 CA GLY A 47 -5.441 -7.939 6.881 1.00 0.00 C ATOM 694 C GLY A 47 -5.218 -6.617 7.587 1.00 0.00 C ATOM 695 O GLY A 47 -4.744 -5.650 6.987 1.00 0.00 O ATOM 0 H GLY A 47 -3.397 -8.207 6.556 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.801 -7.755 5.869 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.218 -8.501 7.399 1.00 0.00 H new ATOM 699 N MET A 48 -5.514 -6.591 8.874 1.00 0.00 N ATOM 700 CA MET A 48 -5.415 -5.372 9.672 1.00 0.00 C ATOM 701 C MET A 48 -3.981 -4.837 9.814 1.00 0.00 C ATOM 702 O MET A 48 -3.759 -3.633 9.670 1.00 0.00 O ATOM 703 CB MET A 48 -6.022 -5.593 11.057 1.00 0.00 C ATOM 704 CG MET A 48 -6.165 -4.312 11.866 1.00 0.00 C ATOM 705 SD MET A 48 -5.821 -4.550 13.619 1.00 0.00 S ATOM 706 CE MET A 48 -4.057 -4.863 13.573 1.00 0.00 C ATOM 0 H MET A 48 -5.829 -7.408 9.398 1.00 0.00 H new ATOM 0 HA MET A 48 -5.978 -4.613 9.128 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.003 -6.055 10.946 1.00 0.00 H new ATOM 0 HB3 MET A 48 -5.399 -6.296 11.610 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.487 -3.558 11.467 1.00 0.00 H new ATOM 0 HG3 MET A 48 -7.177 -3.925 11.748 1.00 0.00 H new ATOM 0 HE1 MET A 48 -3.621 -4.629 14.544 1.00 0.00 H new ATOM 0 HE2 MET A 48 -3.880 -5.913 13.339 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.596 -4.238 12.808 1.00 0.00 H new ATOM 716 N PRO A 49 -2.977 -5.694 10.069 1.00 0.00 N ATOM 717 CA PRO A 49 -1.608 -5.248 10.322 1.00 0.00 C ATOM 718 C PRO A 49 -0.944 -4.928 9.000 1.00 0.00 C ATOM 719 O PRO A 49 -0.033 -4.112 8.896 1.00 0.00 O ATOM 720 CB PRO A 49 -0.950 -6.468 10.994 1.00 0.00 C ATOM 721 CG PRO A 49 -2.034 -7.503 11.104 1.00 0.00 C ATOM 722 CD PRO A 49 -3.036 -7.151 10.052 1.00 0.00 C ATOM 0 HA PRO A 49 -1.537 -4.352 10.939 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.113 -6.838 10.401 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.555 -6.209 11.976 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.636 -8.505 10.946 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.487 -7.492 12.095 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.769 -7.561 9.078 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.032 -7.524 10.293 1.00 0.00 H new ATOM 730 N LEU A 50 -1.458 -5.610 8.000 1.00 0.00 N ATOM 731 CA LEU A 50 -1.133 -5.401 6.614 1.00 0.00 C ATOM 732 C LEU A 50 -1.443 -3.958 6.238 1.00 0.00 C ATOM 733 O LEU A 50 -0.636 -3.278 5.615 1.00 0.00 O ATOM 734 CB LEU A 50 -2.003 -6.393 5.850 1.00 0.00 C ATOM 735 CG LEU A 50 -1.693 -6.678 4.392 1.00 0.00 C ATOM 736 CD1 LEU A 50 -1.947 -5.466 3.511 1.00 0.00 C ATOM 737 CD2 LEU A 50 -0.270 -7.168 4.228 1.00 0.00 C ATOM 0 H LEU A 50 -2.141 -6.354 8.141 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.079 -5.561 6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.966 -7.342 6.385 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.032 -6.037 5.903 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.371 -7.467 4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.713 -5.713 2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.995 -5.175 3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.316 -4.640 3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.072 -7.365 3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.421 -6.407 4.591 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.133 -8.085 4.801 1.00 0.00 H new ATOM 749 N ARG A 51 -2.614 -3.500 6.662 1.00 0.00 N ATOM 750 CA ARG A 51 -3.008 -2.108 6.510 1.00 0.00 C ATOM 751 C ARG A 51 -2.084 -1.192 7.288 1.00 0.00 C ATOM 752 O ARG A 51 -1.565 -0.217 6.752 1.00 0.00 O ATOM 753 CB ARG A 51 -4.446 -1.930 6.998 1.00 0.00 C ATOM 754 CG ARG A 51 -4.842 -0.487 7.279 1.00 0.00 C ATOM 755 CD ARG A 51 -5.878 -0.394 8.389 1.00 0.00 C ATOM 756 NE ARG A 51 -7.042 -1.237 8.136 1.00 0.00 N ATOM 757 CZ ARG A 51 -7.923 -1.584 9.070 1.00 0.00 C ATOM 758 NH1 ARG A 51 -7.790 -1.138 10.315 1.00 0.00 N ATOM 759 NH2 ARG A 51 -8.941 -2.373 8.757 1.00 0.00 N ATOM 0 H ARG A 51 -3.315 -4.083 7.120 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.940 -1.842 5.455 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.124 -2.341 6.250 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.583 -2.515 7.907 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.957 0.085 7.558 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.240 -0.035 6.370 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.421 -0.685 9.334 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.200 0.642 8.496 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.189 -1.580 7.187 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.010 -0.527 10.557 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.468 -1.407 11.028 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.048 -2.713 7.801 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.618 -2.640 9.472 1.00 0.00 H new ATOM 773 N ALA A 52 -1.870 -1.527 8.548 1.00 0.00 N ATOM 774 CA ALA A 52 -1.066 -0.705 9.430 1.00 0.00 C ATOM 775 C ALA A 52 0.347 -0.514 8.886 1.00 0.00 C ATOM 776 O ALA A 52 0.831 0.608 8.816 1.00 0.00 O ATOM 777 CB ALA A 52 -1.023 -1.317 10.823 1.00 0.00 C ATOM 0 H ALA A 52 -2.246 -2.369 8.984 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.531 0.279 9.488 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.416 -0.691 11.477 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.035 -1.385 11.222 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.587 -2.315 10.769 1.00 0.00 H new ATOM 783 N TRP A 53 0.999 -1.602 8.472 1.00 0.00 N ATOM 784 CA TRP A 53 2.365 -1.499 7.972 1.00 0.00 C ATOM 785 C TRP A 53 2.388 -0.836 6.600 1.00 0.00 C ATOM 786 O TRP A 53 3.256 -0.012 6.320 1.00 0.00 O ATOM 787 CB TRP A 53 3.087 -2.872 7.957 1.00 0.00 C ATOM 788 CG TRP A 53 2.904 -3.733 6.730 1.00 0.00 C ATOM 789 CD1 TRP A 53 2.161 -4.874 6.640 1.00 0.00 C ATOM 790 CD2 TRP A 53 3.509 -3.555 5.435 1.00 0.00 C ATOM 791 NE1 TRP A 53 2.251 -5.404 5.372 1.00 0.00 N ATOM 792 CE2 TRP A 53 3.063 -4.608 4.616 1.00 0.00 C ATOM 793 CE3 TRP A 53 4.370 -2.602 4.886 1.00 0.00 C ATOM 794 CZ2 TRP A 53 3.445 -4.736 3.289 1.00 0.00 C ATOM 795 CZ3 TRP A 53 4.749 -2.730 3.566 1.00 0.00 C ATOM 796 CH2 TRP A 53 4.284 -3.790 2.778 1.00 0.00 C ATOM 0 H TRP A 53 0.611 -2.545 8.473 1.00 0.00 H new ATOM 0 HA TRP A 53 2.921 -0.865 8.663 1.00 0.00 H new ATOM 0 HB2 TRP A 53 4.154 -2.694 8.089 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.749 -3.441 8.823 1.00 0.00 H new ATOM 0 HD1 TRP A 53 1.585 -5.301 7.448 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.787 -6.253 5.050 1.00 0.00 H new ATOM 0 HE3 TRP A 53 4.733 -1.779 5.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.091 -5.556 2.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.416 -2.000 3.133 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.596 -3.860 1.746 1.00 0.00 H new ATOM 807 N VAL A 54 1.417 -1.175 5.757 1.00 0.00 N ATOM 808 CA VAL A 54 1.409 -0.684 4.388 1.00 0.00 C ATOM 809 C VAL A 54 1.128 0.818 4.363 1.00 0.00 C ATOM 810 O VAL A 54 1.783 1.566 3.638 1.00 0.00 O ATOM 811 CB VAL A 54 0.403 -1.468 3.504 1.00 0.00 C ATOM 812 CG1 VAL A 54 -0.990 -0.861 3.528 1.00 0.00 C ATOM 813 CG2 VAL A 54 0.918 -1.583 2.078 1.00 0.00 C ATOM 0 H VAL A 54 0.633 -1.782 5.997 1.00 0.00 H new ATOM 0 HA VAL A 54 2.399 -0.852 3.963 1.00 0.00 H new ATOM 0 HB VAL A 54 0.318 -2.468 3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.654 -1.448 2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.370 -0.862 4.550 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.947 0.163 3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.198 -2.136 1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.053 -0.586 1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.872 -2.109 2.077 1.00 0.00 H new ATOM 823 N ILE A 55 0.174 1.257 5.178 1.00 0.00 N ATOM 824 CA ILE A 55 -0.119 2.673 5.315 1.00 0.00 C ATOM 825 C ILE A 55 1.039 3.411 5.986 1.00 0.00 C ATOM 826 O ILE A 55 1.416 4.506 5.564 1.00 0.00 O ATOM 827 CB ILE A 55 -1.420 2.887 6.113 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.608 2.332 5.332 1.00 0.00 C ATOM 829 CG2 ILE A 55 -1.634 4.351 6.441 1.00 0.00 C ATOM 830 CD1 ILE A 55 -3.930 2.488 6.045 1.00 0.00 C ATOM 0 H ILE A 55 -0.408 0.648 5.753 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.253 3.083 4.314 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.332 2.349 7.057 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.664 2.836 4.367 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.437 1.275 5.130 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.560 4.466 7.004 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.799 4.716 7.038 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.697 4.925 5.517 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.727 2.071 5.429 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.894 1.960 6.998 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.125 3.546 6.223 1.00 0.00 H new ATOM 842 N LYS A 56 1.611 2.800 7.019 1.00 0.00 N ATOM 843 CA LYS A 56 2.727 3.393 7.748 1.00 0.00 C ATOM 844 C LYS A 56 3.929 3.600 6.830 1.00 0.00 C ATOM 845 O LYS A 56 4.491 4.702 6.755 1.00 0.00 O ATOM 846 CB LYS A 56 3.103 2.491 8.930 1.00 0.00 C ATOM 847 CG LYS A 56 4.280 2.981 9.756 1.00 0.00 C ATOM 848 CD LYS A 56 4.073 4.406 10.242 1.00 0.00 C ATOM 849 CE LYS A 56 5.072 4.771 11.323 1.00 0.00 C ATOM 850 NZ LYS A 56 6.459 4.380 10.962 1.00 0.00 N ATOM 0 H LYS A 56 1.318 1.889 7.372 1.00 0.00 H new ATOM 0 HA LYS A 56 2.423 4.370 8.124 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.236 2.391 9.583 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.333 1.495 8.550 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.423 2.322 10.612 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.190 2.929 9.159 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.172 5.096 9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.060 4.517 10.628 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.034 5.846 11.502 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.790 4.282 12.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.134 4.950 11.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.603 3.373 11.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.612 4.543 9.946 1.00 0.00 H new ATOM 864 N CYS A 57 4.301 2.546 6.116 1.00 0.00 N ATOM 865 CA CYS A 57 5.445 2.597 5.219 1.00 0.00 C ATOM 866 C CYS A 57 5.193 3.594 4.094 1.00 0.00 C ATOM 867 O CYS A 57 6.086 4.352 3.720 1.00 0.00 O ATOM 868 CB CYS A 57 5.736 1.206 4.646 1.00 0.00 C ATOM 869 SG CYS A 57 7.233 1.122 3.637 1.00 0.00 S ATOM 0 H CYS A 57 3.825 1.644 6.142 1.00 0.00 H new ATOM 0 HA CYS A 57 6.316 2.927 5.785 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.825 0.497 5.469 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.886 0.888 4.043 1.00 0.00 H new ATOM 0 HG CYS A 57 7.476 -0.116 3.323 1.00 0.00 H new ATOM 875 N ALA A 58 3.971 3.600 3.570 1.00 0.00 N ATOM 876 CA ALA A 58 3.601 4.532 2.513 1.00 0.00 C ATOM 877 C ALA A 58 3.635 5.969 3.022 1.00 0.00 C ATOM 878 O ALA A 58 4.040 6.877 2.301 1.00 0.00 O ATOM 879 CB ALA A 58 2.226 4.201 1.962 1.00 0.00 C ATOM 0 H ALA A 58 3.222 2.971 3.860 1.00 0.00 H new ATOM 0 HA ALA A 58 4.329 4.434 1.708 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.970 4.909 1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.231 3.190 1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.488 4.265 2.762 1.00 0.00 H new ATOM 885 N HIS A 59 3.213 6.160 4.268 1.00 0.00 N ATOM 886 CA HIS A 59 3.206 7.480 4.890 1.00 0.00 C ATOM 887 C HIS A 59 4.604 8.082 4.882 1.00 0.00 C ATOM 888 O HIS A 59 4.821 9.160 4.330 1.00 0.00 O ATOM 889 CB HIS A 59 2.687 7.389 6.333 1.00 0.00 C ATOM 890 CG HIS A 59 2.398 8.720 6.970 1.00 0.00 C ATOM 891 ND1 HIS A 59 1.751 8.848 8.178 1.00 0.00 N ATOM 892 CD2 HIS A 59 2.636 9.980 6.544 1.00 0.00 C ATOM 893 CE1 HIS A 59 1.597 10.128 8.459 1.00 0.00 C ATOM 894 NE2 HIS A 59 2.130 10.835 7.488 1.00 0.00 N ATOM 0 H HIS A 59 2.869 5.412 4.870 1.00 0.00 H new ATOM 0 HA HIS A 59 2.542 8.125 4.314 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.777 6.789 6.343 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.423 6.861 6.939 1.00 0.00 H new ATOM 0 HD1 HIS A 59 1.439 8.074 8.765 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.134 10.262 5.628 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.114 10.527 9.339 1.00 0.00 H new ATOM 903 N GLU A 60 5.549 7.380 5.488 1.00 0.00 N ATOM 904 CA GLU A 60 6.910 7.888 5.592 1.00 0.00 C ATOM 905 C GLU A 60 7.608 7.917 4.232 1.00 0.00 C ATOM 906 O GLU A 60 8.437 8.789 3.980 1.00 0.00 O ATOM 907 CB GLU A 60 7.715 7.095 6.622 1.00 0.00 C ATOM 908 CG GLU A 60 7.598 5.590 6.487 1.00 0.00 C ATOM 909 CD GLU A 60 8.288 4.870 7.623 1.00 0.00 C ATOM 910 OE1 GLU A 60 7.737 4.859 8.743 1.00 0.00 O ATOM 911 OE2 GLU A 60 9.400 4.342 7.415 1.00 0.00 O ATOM 0 H GLU A 60 5.402 6.464 5.912 1.00 0.00 H new ATOM 0 HA GLU A 60 6.851 8.919 5.941 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.765 7.374 6.537 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.388 7.384 7.621 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.545 5.308 6.464 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.034 5.275 5.539 1.00 0.00 H new ATOM 918 N ALA A 61 7.281 6.966 3.361 1.00 0.00 N ATOM 919 CA ALA A 61 7.832 6.957 2.008 1.00 0.00 C ATOM 920 C ALA A 61 7.386 8.194 1.236 1.00 0.00 C ATOM 921 O ALA A 61 8.189 8.846 0.569 1.00 0.00 O ATOM 922 CB ALA A 61 7.412 5.698 1.261 1.00 0.00 C ATOM 0 H ALA A 61 6.642 6.197 3.565 1.00 0.00 H new ATOM 0 HA ALA A 61 8.919 6.968 2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.834 5.713 0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.776 4.820 1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.325 5.658 1.197 1.00 0.00 H new ATOM 928 N LEU A 62 6.103 8.513 1.348 1.00 0.00 N ATOM 929 CA LEU A 62 5.527 9.658 0.655 1.00 0.00 C ATOM 930 C LEU A 62 6.085 10.962 1.214 1.00 0.00 C ATOM 931 O LEU A 62 6.518 11.819 0.459 1.00 0.00 O ATOM 932 CB LEU A 62 3.992 9.605 0.776 1.00 0.00 C ATOM 933 CG LEU A 62 3.178 10.675 0.022 1.00 0.00 C ATOM 934 CD1 LEU A 62 3.225 12.028 0.720 1.00 0.00 C ATOM 935 CD2 LEU A 62 3.657 10.797 -1.412 1.00 0.00 C ATOM 0 H LEU A 62 5.437 7.990 1.917 1.00 0.00 H new ATOM 0 HA LEU A 62 5.796 9.618 -0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.662 8.626 0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.736 9.672 1.833 1.00 0.00 H new ATOM 0 HG LEU A 62 2.138 10.349 0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.638 12.750 0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.813 11.934 1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.258 12.369 0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.070 11.557 -1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.709 11.082 -1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.536 9.839 -1.919 1.00 0.00 H new ATOM 947 N GLU A 63 6.095 11.092 2.532 1.00 0.00 N ATOM 948 CA GLU A 63 6.549 12.322 3.177 1.00 0.00 C ATOM 949 C GLU A 63 8.048 12.545 2.992 1.00 0.00 C ATOM 950 O GLU A 63 8.515 13.684 3.007 1.00 0.00 O ATOM 951 CB GLU A 63 6.196 12.297 4.663 1.00 0.00 C ATOM 952 CG GLU A 63 4.731 12.592 4.937 1.00 0.00 C ATOM 953 CD GLU A 63 4.399 14.061 4.760 1.00 0.00 C ATOM 954 OE1 GLU A 63 4.281 14.522 3.606 1.00 0.00 O ATOM 955 OE2 GLU A 63 4.259 14.766 5.781 1.00 0.00 O ATOM 0 H GLU A 63 5.795 10.363 3.179 1.00 0.00 H new ATOM 0 HA GLU A 63 6.034 13.155 2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.445 11.318 5.072 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.811 13.028 5.188 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.111 11.998 4.266 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.485 12.286 5.954 1.00 0.00 H new ATOM 962 N LYS A 64 8.802 11.463 2.828 1.00 0.00 N ATOM 963 CA LYS A 64 10.237 11.575 2.597 1.00 0.00 C ATOM 964 C LYS A 64 10.501 12.284 1.275 1.00 0.00 C ATOM 965 O LYS A 64 11.360 13.161 1.184 1.00 0.00 O ATOM 966 CB LYS A 64 10.894 10.192 2.596 1.00 0.00 C ATOM 967 CG LYS A 64 12.407 10.226 2.424 1.00 0.00 C ATOM 968 CD LYS A 64 13.081 11.082 3.489 1.00 0.00 C ATOM 969 CE LYS A 64 12.797 10.568 4.891 1.00 0.00 C ATOM 970 NZ LYS A 64 13.432 11.417 5.933 1.00 0.00 N ATOM 0 H LYS A 64 8.447 10.507 2.850 1.00 0.00 H new ATOM 0 HA LYS A 64 10.672 12.161 3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.656 9.687 3.532 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.460 9.596 1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.801 9.211 2.472 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.651 10.617 1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.157 11.094 3.318 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.733 12.111 3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.720 10.537 5.055 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.163 9.545 4.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.214 11.032 6.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.462 11.426 5.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.064 12.387 5.862 1.00 0.00 H new ATOM 984 N ASN A 65 9.746 11.906 0.258 1.00 0.00 N ATOM 985 CA ASN A 65 9.845 12.537 -1.047 1.00 0.00 C ATOM 986 C ASN A 65 8.450 12.807 -1.607 1.00 0.00 C ATOM 987 O ASN A 65 7.978 12.120 -2.510 1.00 0.00 O ATOM 988 CB ASN A 65 10.707 11.692 -2.012 1.00 0.00 C ATOM 989 CG ASN A 65 10.363 10.202 -2.051 1.00 0.00 C ATOM 990 OD1 ASN A 65 11.256 9.356 -2.113 1.00 0.00 O ATOM 991 ND2 ASN A 65 9.087 9.869 -2.072 1.00 0.00 N ATOM 0 H ASN A 65 9.053 11.160 0.312 1.00 0.00 H new ATOM 0 HA ASN A 65 10.350 13.496 -0.936 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.605 12.099 -3.018 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.754 11.800 -1.729 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.817 8.888 -2.141 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.370 10.593 -2.019 1.00 0.00 H new ATOM 998 N PRO A 66 7.768 13.837 -1.076 1.00 0.00 N ATOM 999 CA PRO A 66 6.365 14.131 -1.412 1.00 0.00 C ATOM 1000 C PRO A 66 6.213 14.729 -2.809 1.00 0.00 C ATOM 1001 O PRO A 66 5.402 15.625 -3.043 1.00 0.00 O ATOM 1002 CB PRO A 66 5.963 15.130 -0.327 1.00 0.00 C ATOM 1003 CG PRO A 66 7.227 15.837 0.007 1.00 0.00 C ATOM 1004 CD PRO A 66 8.311 14.803 -0.101 1.00 0.00 C ATOM 0 HA PRO A 66 5.741 13.238 -1.437 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.202 15.823 -0.686 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.547 14.625 0.545 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.406 16.665 -0.679 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.186 16.258 1.011 1.00 0.00 H new ATOM 0 HD2 PRO A 66 9.248 15.239 -0.447 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.514 14.332 0.861 1.00 0.00 H new ATOM 1012 N LYS A 67 7.011 14.210 -3.726 1.00 0.00 N ATOM 1013 CA LYS A 67 7.020 14.636 -5.111 1.00 0.00 C ATOM 1014 C LYS A 67 6.963 13.408 -6.009 1.00 0.00 C ATOM 1015 O LYS A 67 7.390 13.443 -7.162 1.00 0.00 O ATOM 1016 CB LYS A 67 8.299 15.423 -5.407 1.00 0.00 C ATOM 1017 CG LYS A 67 8.501 16.643 -4.520 1.00 0.00 C ATOM 1018 CD LYS A 67 7.353 17.631 -4.644 1.00 0.00 C ATOM 1019 CE LYS A 67 7.548 18.826 -3.724 1.00 0.00 C ATOM 1020 NZ LYS A 67 8.727 19.641 -4.114 1.00 0.00 N ATOM 0 H LYS A 67 7.681 13.468 -3.524 1.00 0.00 H new ATOM 0 HA LYS A 67 6.157 15.275 -5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.156 14.759 -5.292 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.282 15.744 -6.449 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.596 16.325 -3.482 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.435 17.136 -4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.275 17.973 -5.676 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.414 17.133 -4.402 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.654 19.449 -3.744 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.671 18.478 -2.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.737 20.523 -3.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.598 19.104 -3.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.673 19.867 -5.128 1.00 0.00 H new ATOM 1034 N ILE A 68 6.466 12.310 -5.457 1.00 0.00 N ATOM 1035 CA ILE A 68 6.393 11.060 -6.196 1.00 0.00 C ATOM 1036 C ILE A 68 4.991 10.807 -6.715 1.00 0.00 C ATOM 1037 O ILE A 68 4.096 11.642 -6.577 1.00 0.00 O ATOM 1038 CB ILE A 68 6.836 9.844 -5.355 1.00 0.00 C ATOM 1039 CG1 ILE A 68 6.013 9.729 -4.063 1.00 0.00 C ATOM 1040 CG2 ILE A 68 8.322 9.926 -5.055 1.00 0.00 C ATOM 1041 CD1 ILE A 68 6.282 8.459 -3.283 1.00 0.00 C ATOM 0 H ILE A 68 6.109 12.260 -4.503 1.00 0.00 H new ATOM 0 HA ILE A 68 7.084 11.172 -7.032 1.00 0.00 H new ATOM 0 HB ILE A 68 6.652 8.941 -5.937 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.228 10.588 -3.428 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.953 9.775 -4.312 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.622 9.062 -4.461 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.882 9.935 -5.990 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.531 10.839 -4.498 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.666 8.447 -2.384 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.039 7.594 -3.901 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.335 8.420 -3.002 1.00 0.00 H new ATOM 1053 N ARG A 69 4.814 9.639 -7.299 1.00 0.00 N ATOM 1054 CA ARG A 69 3.546 9.258 -7.896 1.00 0.00 C ATOM 1055 C ARG A 69 2.982 8.038 -7.195 1.00 0.00 C ATOM 1056 O ARG A 69 1.820 8.015 -6.799 1.00 0.00 O ATOM 1057 CB ARG A 69 3.737 8.951 -9.379 1.00 0.00 C ATOM 1058 CG ARG A 69 2.511 8.348 -10.046 1.00 0.00 C ATOM 1059 CD ARG A 69 2.801 7.967 -11.487 1.00 0.00 C ATOM 1060 NE ARG A 69 1.749 7.134 -12.056 1.00 0.00 N ATOM 1061 CZ ARG A 69 1.273 7.275 -13.292 1.00 0.00 C ATOM 1062 NH1 ARG A 69 1.771 8.206 -14.099 1.00 0.00 N ATOM 1063 NH2 ARG A 69 0.310 6.475 -13.725 1.00 0.00 N ATOM 0 H ARG A 69 5.541 8.928 -7.374 1.00 0.00 H new ATOM 0 HA ARG A 69 2.847 10.088 -7.787 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.006 9.871 -9.899 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.575 8.264 -9.493 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.189 7.466 -9.492 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.688 9.062 -10.015 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.910 8.871 -12.086 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.751 7.435 -11.537 1.00 0.00 H new ATOM 0 HE ARG A 69 1.353 6.398 -11.472 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.521 8.816 -13.773 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.404 8.311 -15.045 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.066 5.752 -13.112 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.055 6.582 -14.671 1.00 0.00 H new ATOM 1077 N GLU A 70 3.817 7.023 -7.048 1.00 0.00 N ATOM 1078 CA GLU A 70 3.391 5.768 -6.469 1.00 0.00 C ATOM 1079 C GLU A 70 4.598 4.940 -6.048 1.00 0.00 C ATOM 1080 O GLU A 70 5.725 5.213 -6.465 1.00 0.00 O ATOM 1081 CB GLU A 70 2.521 5.010 -7.475 1.00 0.00 C ATOM 1082 CG GLU A 70 3.158 4.853 -8.846 1.00 0.00 C ATOM 1083 CD GLU A 70 2.184 4.329 -9.875 1.00 0.00 C ATOM 1084 OE1 GLU A 70 1.309 5.099 -10.322 1.00 0.00 O ATOM 1085 OE2 GLU A 70 2.287 3.144 -10.248 1.00 0.00 O ATOM 0 H GLU A 70 4.798 7.048 -7.325 1.00 0.00 H new ATOM 0 HA GLU A 70 2.798 5.964 -5.576 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.297 4.021 -7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.571 5.532 -7.585 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.548 5.816 -9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.007 4.173 -8.774 1.00 0.00 H new ATOM 1092 N VAL A 71 4.357 3.949 -5.209 1.00 0.00 N ATOM 1093 CA VAL A 71 5.414 3.103 -4.692 1.00 0.00 C ATOM 1094 C VAL A 71 5.008 1.636 -4.809 1.00 0.00 C ATOM 1095 O VAL A 71 3.819 1.307 -4.769 1.00 0.00 O ATOM 1096 CB VAL A 71 5.719 3.457 -3.212 1.00 0.00 C ATOM 1097 CG1 VAL A 71 4.550 3.107 -2.305 1.00 0.00 C ATOM 1098 CG2 VAL A 71 6.997 2.790 -2.725 1.00 0.00 C ATOM 0 H VAL A 71 3.426 3.709 -4.868 1.00 0.00 H new ATOM 0 HA VAL A 71 6.316 3.271 -5.280 1.00 0.00 H new ATOM 0 HB VAL A 71 5.870 4.536 -3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.797 3.368 -1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.667 3.664 -2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.347 2.038 -2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.176 3.062 -1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.896 1.708 -2.804 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.836 3.122 -3.336 1.00 0.00 H new ATOM 1108 N TYR A 72 5.982 0.762 -4.977 1.00 0.00 N ATOM 1109 CA TYR A 72 5.712 -0.662 -4.986 1.00 0.00 C ATOM 1110 C TYR A 72 6.290 -1.299 -3.735 1.00 0.00 C ATOM 1111 O TYR A 72 7.492 -1.240 -3.480 1.00 0.00 O ATOM 1112 CB TYR A 72 6.235 -1.342 -6.263 1.00 0.00 C ATOM 1113 CG TYR A 72 7.573 -0.841 -6.763 1.00 0.00 C ATOM 1114 CD1 TYR A 72 8.767 -1.347 -6.261 1.00 0.00 C ATOM 1115 CD2 TYR A 72 7.640 0.128 -7.758 1.00 0.00 C ATOM 1116 CE1 TYR A 72 9.986 -0.897 -6.731 1.00 0.00 C ATOM 1117 CE2 TYR A 72 8.855 0.579 -8.234 1.00 0.00 C ATOM 1118 CZ TYR A 72 10.024 0.066 -7.718 1.00 0.00 C ATOM 1119 OH TYR A 72 11.236 0.514 -8.194 1.00 0.00 O ATOM 0 H TYR A 72 6.962 1.012 -5.108 1.00 0.00 H new ATOM 0 HA TYR A 72 4.632 -0.806 -4.986 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.313 -2.413 -6.078 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.497 -1.208 -7.054 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.741 -2.104 -5.491 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.726 0.535 -8.165 1.00 0.00 H new ATOM 0 HE1 TYR A 72 10.904 -1.297 -6.328 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.888 1.331 -9.008 1.00 0.00 H new ATOM 0 HH TYR A 72 11.085 1.191 -8.887 1.00 0.00 H new ATOM 1129 N LEU A 73 5.408 -1.876 -2.942 1.00 0.00 N ATOM 1130 CA LEU A 73 5.775 -2.424 -1.651 1.00 0.00 C ATOM 1131 C LEU A 73 5.760 -3.940 -1.662 1.00 0.00 C ATOM 1132 O LEU A 73 4.932 -4.560 -2.318 1.00 0.00 O ATOM 1133 CB LEU A 73 4.816 -1.913 -0.580 1.00 0.00 C ATOM 1134 CG LEU A 73 5.269 -0.650 0.143 1.00 0.00 C ATOM 1135 CD1 LEU A 73 4.193 -0.179 1.111 1.00 0.00 C ATOM 1136 CD2 LEU A 73 6.576 -0.920 0.872 1.00 0.00 C ATOM 0 H LEU A 73 4.420 -1.978 -3.174 1.00 0.00 H new ATOM 0 HA LEU A 73 6.791 -2.097 -1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.848 -1.721 -1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.666 -2.701 0.158 1.00 0.00 H new ATOM 0 HG LEU A 73 5.434 0.143 -0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.531 0.724 1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.277 0.036 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.999 -0.959 1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.898 -0.016 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.429 -1.720 1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.339 -1.219 0.153 1.00 0.00 H new ATOM 1148 N LYS A 74 6.682 -4.528 -0.932 1.00 0.00 N ATOM 1149 CA LYS A 74 6.734 -5.965 -0.786 1.00 0.00 C ATOM 1150 C LYS A 74 6.622 -6.315 0.696 1.00 0.00 C ATOM 1151 O LYS A 74 7.435 -5.876 1.510 1.00 0.00 O ATOM 1152 CB LYS A 74 8.028 -6.495 -1.414 1.00 0.00 C ATOM 1153 CG LYS A 74 8.112 -8.009 -1.526 1.00 0.00 C ATOM 1154 CD LYS A 74 8.712 -8.632 -0.281 1.00 0.00 C ATOM 1155 CE LYS A 74 8.926 -10.115 -0.461 1.00 0.00 C ATOM 1156 NZ LYS A 74 9.826 -10.660 0.587 1.00 0.00 N ATOM 0 H LYS A 74 7.412 -4.027 -0.426 1.00 0.00 H new ATOM 0 HA LYS A 74 5.902 -6.440 -1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.134 -6.065 -2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.873 -6.142 -0.823 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.115 -8.417 -1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.715 -8.277 -2.394 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.662 -8.150 -0.052 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.053 -8.458 0.570 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.966 -10.631 -0.424 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.353 -10.306 -1.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.131 -11.617 0.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.659 -10.045 0.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.319 -10.700 1.494 1.00 0.00 H new ATOM 1170 N PRO A 75 5.582 -7.085 1.065 1.00 0.00 N ATOM 1171 CA PRO A 75 5.262 -7.399 2.465 1.00 0.00 C ATOM 1172 C PRO A 75 6.369 -8.154 3.190 1.00 0.00 C ATOM 1173 O PRO A 75 7.247 -8.759 2.576 1.00 0.00 O ATOM 1174 CB PRO A 75 4.008 -8.274 2.364 1.00 0.00 C ATOM 1175 CG PRO A 75 4.025 -8.801 0.975 1.00 0.00 C ATOM 1176 CD PRO A 75 4.632 -7.712 0.139 1.00 0.00 C ATOM 0 HA PRO A 75 5.127 -6.486 3.045 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.030 -9.083 3.094 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.105 -7.695 2.557 1.00 0.00 H new ATOM 0 HG2 PRO A 75 4.611 -9.718 0.910 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.018 -9.042 0.634 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.131 -8.110 -0.744 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.881 -7.004 -0.211 1.00 0.00 H new ATOM 1184 N ARG A 76 6.278 -8.124 4.518 1.00 0.00 N ATOM 1185 CA ARG A 76 7.294 -8.695 5.398 1.00 0.00 C ATOM 1186 C ARG A 76 7.349 -10.208 5.251 1.00 0.00 C ATOM 1187 O ARG A 76 8.315 -10.849 5.666 1.00 0.00 O ATOM 1188 CB ARG A 76 6.977 -8.337 6.851 1.00 0.00 C ATOM 1189 CG ARG A 76 6.535 -6.892 7.036 1.00 0.00 C ATOM 1190 CD ARG A 76 6.076 -6.619 8.460 1.00 0.00 C ATOM 1191 NE ARG A 76 7.189 -6.597 9.406 1.00 0.00 N ATOM 1192 CZ ARG A 76 7.068 -6.840 10.710 1.00 0.00 C ATOM 1193 NH1 ARG A 76 5.898 -7.203 11.221 1.00 0.00 N ATOM 1194 NH2 ARG A 76 8.126 -6.734 11.501 1.00 0.00 N ATOM 0 H ARG A 76 5.494 -7.701 5.015 1.00 0.00 H new ATOM 0 HA ARG A 76 8.263 -8.282 5.118 1.00 0.00 H new ATOM 0 HB2 ARG A 76 6.192 -8.999 7.217 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.860 -8.520 7.463 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.360 -6.225 6.786 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.723 -6.669 6.344 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.554 -5.663 8.494 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.360 -7.384 8.762 1.00 0.00 H new ATOM 0 HE ARG A 76 8.118 -6.382 9.045 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.084 -7.298 10.614 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.813 -7.387 12.221 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.030 -6.467 11.111 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.037 -6.919 12.500 1.00 0.00 H new ATOM 1208 N ALA A 77 6.290 -10.771 4.681 1.00 0.00 N ATOM 1209 CA ALA A 77 6.229 -12.197 4.422 1.00 0.00 C ATOM 1210 C ALA A 77 7.150 -12.565 3.262 1.00 0.00 C ATOM 1211 O ALA A 77 6.747 -12.564 2.094 1.00 0.00 O ATOM 1212 CB ALA A 77 4.795 -12.617 4.133 1.00 0.00 C ATOM 0 H ALA A 77 5.460 -10.255 4.390 1.00 0.00 H new ATOM 0 HA ALA A 77 6.570 -12.732 5.308 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.762 -13.689 3.940 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.167 -12.383 4.993 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.428 -12.080 3.259 1.00 0.00 H new ATOM 1218 N VAL A 78 8.398 -12.865 3.600 1.00 0.00 N ATOM 1219 CA VAL A 78 9.417 -13.226 2.616 1.00 0.00 C ATOM 1220 C VAL A 78 9.039 -14.518 1.890 1.00 0.00 C ATOM 1221 O VAL A 78 9.479 -14.773 0.769 1.00 0.00 O ATOM 1222 CB VAL A 78 10.799 -13.397 3.291 1.00 0.00 C ATOM 1223 CG1 VAL A 78 11.894 -13.615 2.259 1.00 0.00 C ATOM 1224 CG2 VAL A 78 11.124 -12.193 4.165 1.00 0.00 C ATOM 0 H VAL A 78 8.734 -12.866 4.563 1.00 0.00 H new ATOM 0 HA VAL A 78 9.476 -12.415 1.890 1.00 0.00 H new ATOM 0 HB VAL A 78 10.752 -14.283 3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.853 -13.732 2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.676 -14.514 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.939 -12.756 1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.100 -12.334 4.630 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.141 -11.292 3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.364 -12.090 4.940 1.00 0.00 H new ATOM 1234 N LYS A 79 8.182 -15.301 2.528 1.00 0.00 N ATOM 1235 CA LYS A 79 7.751 -16.598 2.009 1.00 0.00 C ATOM 1236 C LYS A 79 7.126 -16.492 0.616 1.00 0.00 C ATOM 1237 O LYS A 79 7.252 -17.408 -0.196 1.00 0.00 O ATOM 1238 CB LYS A 79 6.721 -17.210 2.958 1.00 0.00 C ATOM 1239 CG LYS A 79 7.243 -17.475 4.359 1.00 0.00 C ATOM 1240 CD LYS A 79 6.108 -17.820 5.307 1.00 0.00 C ATOM 1241 CE LYS A 79 6.621 -18.230 6.676 1.00 0.00 C ATOM 1242 NZ LYS A 79 7.360 -19.519 6.627 1.00 0.00 N ATOM 0 H LYS A 79 7.762 -15.057 3.425 1.00 0.00 H new ATOM 0 HA LYS A 79 8.639 -17.225 1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.862 -16.542 3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.364 -18.148 2.532 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.962 -18.294 4.334 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.773 -16.596 4.726 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.446 -16.960 5.410 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.515 -18.630 4.884 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.275 -17.451 7.067 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.782 -18.318 7.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.487 -19.883 7.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.820 -20.208 6.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.291 -19.369 6.188 1.00 0.00 H new ATOM 1256 N ASN A 80 6.464 -15.373 0.342 1.00 0.00 N ATOM 1257 CA ASN A 80 5.657 -15.244 -0.870 1.00 0.00 C ATOM 1258 C ASN A 80 6.508 -15.085 -2.117 1.00 0.00 C ATOM 1259 O ASN A 80 6.171 -15.618 -3.170 1.00 0.00 O ATOM 1260 CB ASN A 80 4.751 -14.036 -0.786 1.00 0.00 C ATOM 1261 CG ASN A 80 3.949 -13.991 0.479 1.00 0.00 C ATOM 1262 OD1 ASN A 80 3.578 -15.020 1.045 1.00 0.00 O ATOM 1263 ND2 ASN A 80 3.697 -12.790 0.942 1.00 0.00 N ATOM 0 H ASN A 80 6.469 -14.545 0.938 1.00 0.00 H new ATOM 0 HA ASN A 80 5.077 -16.164 -0.941 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.354 -13.131 -0.859 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.073 -14.037 -1.639 1.00 0.00 H new ATOM 0 HD21 ASN A 80 3.171 -12.678 1.809 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.027 -11.968 0.435 1.00 0.00 H new ATOM 1270 N SER A 81 7.598 -14.329 -1.985 1.00 0.00 N ATOM 1271 CA SER A 81 8.506 -14.050 -3.095 1.00 0.00 C ATOM 1272 C SER A 81 7.872 -13.103 -4.129 1.00 0.00 C ATOM 1273 O SER A 81 8.341 -11.978 -4.311 1.00 0.00 O ATOM 1274 CB SER A 81 8.968 -15.353 -3.761 1.00 0.00 C ATOM 1275 OG SER A 81 9.898 -15.102 -4.799 1.00 0.00 O ATOM 0 H SER A 81 7.875 -13.893 -1.105 1.00 0.00 H new ATOM 0 HA SER A 81 9.379 -13.544 -2.682 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.422 -16.004 -3.014 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.105 -15.883 -4.164 1.00 0.00 H new ATOM 0 HG SER A 81 10.175 -15.951 -5.203 1.00 0.00 H new ATOM 1281 N SER A 82 6.797 -13.539 -4.779 1.00 0.00 N ATOM 1282 CA SER A 82 6.227 -12.792 -5.896 1.00 0.00 C ATOM 1283 C SER A 82 4.882 -12.135 -5.557 1.00 0.00 C ATOM 1284 O SER A 82 3.916 -12.248 -6.320 1.00 0.00 O ATOM 1285 CB SER A 82 6.066 -13.716 -7.105 1.00 0.00 C ATOM 1286 OG SER A 82 7.319 -14.251 -7.506 1.00 0.00 O ATOM 0 H SER A 82 6.304 -14.403 -4.553 1.00 0.00 H new ATOM 0 HA SER A 82 6.922 -11.984 -6.126 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.382 -14.528 -6.858 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.620 -13.164 -7.933 1.00 0.00 H new ATOM 0 HG SER A 82 7.191 -14.840 -8.279 1.00 0.00 H new ATOM 1292 N VAL A 83 4.806 -11.448 -4.424 1.00 0.00 N ATOM 1293 CA VAL A 83 3.640 -10.627 -4.129 1.00 0.00 C ATOM 1294 C VAL A 83 4.076 -9.199 -3.820 1.00 0.00 C ATOM 1295 O VAL A 83 5.091 -8.980 -3.154 1.00 0.00 O ATOM 1296 CB VAL A 83 2.809 -11.186 -2.951 1.00 0.00 C ATOM 1297 CG1 VAL A 83 3.545 -11.020 -1.636 1.00 0.00 C ATOM 1298 CG2 VAL A 83 1.445 -10.517 -2.886 1.00 0.00 C ATOM 0 H VAL A 83 5.528 -11.442 -3.703 1.00 0.00 H new ATOM 0 HA VAL A 83 3.003 -10.640 -5.013 1.00 0.00 H new ATOM 0 HB VAL A 83 2.662 -12.252 -3.124 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.937 -11.422 -0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.493 -11.557 -1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.735 -9.962 -1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.878 -10.926 -2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.573 -9.443 -2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.905 -10.701 -3.815 1.00 0.00 H new ATOM 1308 N GLN A 84 3.329 -8.236 -4.328 1.00 0.00 N ATOM 1309 CA GLN A 84 3.622 -6.835 -4.084 1.00 0.00 C ATOM 1310 C GLN A 84 2.343 -6.055 -3.828 1.00 0.00 C ATOM 1311 O GLN A 84 1.270 -6.406 -4.321 1.00 0.00 O ATOM 1312 CB GLN A 84 4.359 -6.207 -5.272 1.00 0.00 C ATOM 1313 CG GLN A 84 5.745 -6.778 -5.525 1.00 0.00 C ATOM 1314 CD GLN A 84 6.484 -6.026 -6.612 1.00 0.00 C ATOM 1315 OE1 GLN A 84 7.203 -5.065 -6.341 1.00 0.00 O ATOM 1316 NE2 GLN A 84 6.310 -6.455 -7.853 1.00 0.00 N ATOM 0 H GLN A 84 2.511 -8.399 -4.915 1.00 0.00 H new ATOM 0 HA GLN A 84 4.262 -6.787 -3.203 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.755 -6.340 -6.170 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.447 -5.134 -5.103 1.00 0.00 H new ATOM 0 HG2 GLN A 84 6.325 -6.742 -4.603 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.658 -7.827 -5.806 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.705 -7.256 -8.036 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.781 -5.985 -8.626 1.00 0.00 H new ATOM 1325 N PHE A 85 2.463 -5.002 -3.044 1.00 0.00 N ATOM 1326 CA PHE A 85 1.381 -4.067 -2.855 1.00 0.00 C ATOM 1327 C PHE A 85 1.712 -2.779 -3.578 1.00 0.00 C ATOM 1328 O PHE A 85 2.697 -2.107 -3.276 1.00 0.00 O ATOM 1329 CB PHE A 85 1.114 -3.803 -1.374 1.00 0.00 C ATOM 1330 CG PHE A 85 0.519 -4.983 -0.663 1.00 0.00 C ATOM 1331 CD1 PHE A 85 -0.847 -5.204 -0.690 1.00 0.00 C ATOM 1332 CD2 PHE A 85 1.326 -5.879 0.018 1.00 0.00 C ATOM 1333 CE1 PHE A 85 -1.400 -6.296 -0.050 1.00 0.00 C ATOM 1334 CE2 PHE A 85 0.778 -6.971 0.663 1.00 0.00 C ATOM 1335 CZ PHE A 85 -0.586 -7.180 0.627 1.00 0.00 C ATOM 0 H PHE A 85 3.310 -4.774 -2.524 1.00 0.00 H new ATOM 0 HA PHE A 85 0.469 -4.498 -3.269 1.00 0.00 H new ATOM 0 HB2 PHE A 85 2.049 -3.526 -0.886 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.440 -2.951 -1.279 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.489 -4.514 -1.218 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.394 -5.723 0.045 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.467 -6.457 -0.080 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.416 -7.661 1.195 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.015 -8.035 1.128 1.00 0.00 H new ATOM 1345 N HIS A 86 0.887 -2.453 -4.541 1.00 0.00 N ATOM 1346 CA HIS A 86 1.129 -1.330 -5.414 1.00 0.00 C ATOM 1347 C HIS A 86 0.385 -0.119 -4.876 1.00 0.00 C ATOM 1348 O HIS A 86 -0.827 -0.003 -5.044 1.00 0.00 O ATOM 1349 CB HIS A 86 0.652 -1.693 -6.826 1.00 0.00 C ATOM 1350 CG HIS A 86 1.023 -0.719 -7.900 1.00 0.00 C ATOM 1351 ND1 HIS A 86 0.430 -0.725 -9.143 1.00 0.00 N ATOM 1352 CD2 HIS A 86 1.945 0.274 -7.933 1.00 0.00 C ATOM 1353 CE1 HIS A 86 0.969 0.215 -9.891 1.00 0.00 C ATOM 1354 NE2 HIS A 86 1.890 0.837 -9.184 1.00 0.00 N ATOM 0 H HIS A 86 0.025 -2.960 -4.743 1.00 0.00 H new ATOM 0 HA HIS A 86 2.192 -1.091 -5.456 1.00 0.00 H new ATOM 0 HB2 HIS A 86 1.059 -2.670 -7.089 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -0.433 -1.794 -6.810 1.00 0.00 H new ATOM 0 HD2 HIS A 86 2.600 0.567 -7.126 1.00 0.00 H new ATOM 0 HE1 HIS A 86 0.701 0.439 -10.913 1.00 0.00 H new ATOM 0 HE2 HIS A 86 2.468 1.611 -9.512 1.00 0.00 H new ATOM 1363 N VAL A 87 1.107 0.778 -4.226 1.00 0.00 N ATOM 1364 CA VAL A 87 0.486 1.933 -3.610 1.00 0.00 C ATOM 1365 C VAL A 87 0.607 3.142 -4.519 1.00 0.00 C ATOM 1366 O VAL A 87 1.703 3.638 -4.767 1.00 0.00 O ATOM 1367 CB VAL A 87 1.119 2.252 -2.239 1.00 0.00 C ATOM 1368 CG1 VAL A 87 0.611 3.581 -1.706 1.00 0.00 C ATOM 1369 CG2 VAL A 87 0.832 1.140 -1.244 1.00 0.00 C ATOM 0 H VAL A 87 2.119 0.727 -4.113 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.567 1.697 -3.454 1.00 0.00 H new ATOM 0 HB VAL A 87 2.198 2.326 -2.375 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.071 3.785 -0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.869 4.376 -2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.472 3.537 -1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.287 1.384 -0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.245 1.033 -1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.248 0.203 -1.615 1.00 0.00 H new ATOM 1379 N ILE A 88 -0.522 3.602 -5.018 1.00 0.00 N ATOM 1380 CA ILE A 88 -0.547 4.762 -5.884 1.00 0.00 C ATOM 1381 C ILE A 88 -1.004 5.971 -5.091 1.00 0.00 C ATOM 1382 O ILE A 88 -1.910 5.864 -4.262 1.00 0.00 O ATOM 1383 CB ILE A 88 -1.477 4.561 -7.107 1.00 0.00 C ATOM 1384 CG1 ILE A 88 -1.008 3.388 -7.971 1.00 0.00 C ATOM 1385 CG2 ILE A 88 -1.554 5.827 -7.946 1.00 0.00 C ATOM 1386 CD1 ILE A 88 -1.501 2.040 -7.496 1.00 0.00 C ATOM 0 H ILE A 88 -1.437 3.188 -4.838 1.00 0.00 H new ATOM 0 HA ILE A 88 0.463 4.915 -6.263 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.473 4.333 -6.727 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.345 3.547 -8.995 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.082 3.378 -7.992 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.213 5.659 -8.798 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.946 6.643 -7.339 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.558 6.088 -8.304 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.126 1.261 -8.160 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.142 1.857 -6.483 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.591 2.028 -7.502 1.00 0.00 H new ATOM 1398 N PHE A 89 -0.380 7.111 -5.334 1.00 0.00 N ATOM 1399 CA PHE A 89 -0.747 8.320 -4.632 1.00 0.00 C ATOM 1400 C PHE A 89 -1.592 9.207 -5.525 1.00 0.00 C ATOM 1401 O PHE A 89 -1.100 9.773 -6.505 1.00 0.00 O ATOM 1402 CB PHE A 89 0.491 9.057 -4.151 1.00 0.00 C ATOM 1403 CG PHE A 89 1.252 8.231 -3.177 1.00 0.00 C ATOM 1404 CD1 PHE A 89 0.704 7.953 -1.941 1.00 0.00 C ATOM 1405 CD2 PHE A 89 2.482 7.695 -3.503 1.00 0.00 C ATOM 1406 CE1 PHE A 89 1.365 7.153 -1.047 1.00 0.00 C ATOM 1407 CE2 PHE A 89 3.155 6.898 -2.604 1.00 0.00 C ATOM 1408 CZ PHE A 89 2.589 6.629 -1.376 1.00 0.00 C ATOM 0 H PHE A 89 0.378 7.221 -6.008 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.338 8.050 -3.757 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.127 9.303 -5.002 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.201 10.000 -3.687 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.256 8.371 -1.676 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.919 7.902 -4.469 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.924 6.935 -0.086 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.120 6.486 -2.859 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.112 6.002 -0.669 1.00 0.00 H new ATOM 1418 N ASP A 90 -2.865 9.314 -5.189 1.00 0.00 N ATOM 1419 CA ASP A 90 -3.801 10.074 -5.992 1.00 0.00 C ATOM 1420 C ASP A 90 -3.624 11.560 -5.745 1.00 0.00 C ATOM 1421 O ASP A 90 -3.845 12.050 -4.635 1.00 0.00 O ATOM 1422 CB ASP A 90 -5.241 9.670 -5.672 1.00 0.00 C ATOM 1423 CG ASP A 90 -5.582 8.270 -6.139 1.00 0.00 C ATOM 1424 OD1 ASP A 90 -5.874 8.088 -7.341 1.00 0.00 O ATOM 1425 OD2 ASP A 90 -5.582 7.346 -5.304 1.00 0.00 O ATOM 0 H ASP A 90 -3.274 8.881 -4.361 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.599 9.858 -7.041 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.400 9.737 -4.596 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.924 10.379 -6.140 1.00 0.00 H new ATOM 1430 N GLU A 91 -3.211 12.268 -6.778 1.00 0.00 N ATOM 1431 CA GLU A 91 -3.071 13.704 -6.703 1.00 0.00 C ATOM 1432 C GLU A 91 -4.405 14.349 -7.043 1.00 0.00 C ATOM 1433 O GLU A 91 -4.976 14.098 -8.105 1.00 0.00 O ATOM 1434 CB GLU A 91 -1.972 14.172 -7.655 1.00 0.00 C ATOM 1435 CG GLU A 91 -1.731 15.665 -7.628 1.00 0.00 C ATOM 1436 CD GLU A 91 -0.559 16.067 -8.493 1.00 0.00 C ATOM 1437 OE1 GLU A 91 -0.613 15.838 -9.720 1.00 0.00 O ATOM 1438 OE2 GLU A 91 0.422 16.615 -7.950 1.00 0.00 O ATOM 0 H GLU A 91 -2.966 11.867 -7.683 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.785 14.000 -5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.044 13.660 -7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.234 13.875 -8.670 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.627 16.183 -7.969 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.550 15.984 -6.602 1.00 0.00 H new