USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 408 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 37 HIS : no HD1:sc= -1.85 K(o=-3.2,f=-4.7!) USER MOD Set 1.2: A 42 GLN : amide:sc= -1.3 K(o=-3.2,f=-7.2!) USER MOD Set 1.3: A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -139:sc= 0.0997 (180deg=0.0483) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc=-0.00728 USER MOD Single : A 36 SER OG : rot 2:sc= 1.14 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 93:sc= 0.158 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N LYS A 12 -7.892 7.821 10.288 1.00 0.00 N ATOM 133 CA LYS A 12 -6.549 8.120 9.806 1.00 0.00 C ATOM 134 C LYS A 12 -6.477 7.998 8.287 1.00 0.00 C ATOM 135 O LYS A 12 -5.796 8.780 7.623 1.00 0.00 O ATOM 136 CB LYS A 12 -5.531 7.178 10.452 1.00 0.00 C ATOM 137 CG LYS A 12 -4.152 7.793 10.616 1.00 0.00 C ATOM 138 CD LYS A 12 -3.337 7.684 9.339 1.00 0.00 C ATOM 139 CE LYS A 12 -1.848 7.838 9.612 1.00 0.00 C ATOM 140 NZ LYS A 12 -1.072 8.039 8.357 1.00 0.00 N ATOM 0 HA LYS A 12 -6.311 9.147 10.083 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.902 6.872 11.430 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.448 6.276 9.846 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.251 8.842 10.897 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.625 7.294 11.429 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.524 6.719 8.868 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.660 8.450 8.634 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.687 8.685 10.278 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.480 6.952 10.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.190 7.490 8.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.637 7.719 7.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.846 9.048 8.246 1.00 0.00 H new ATOM 154 N PHE A 13 -7.185 7.014 7.742 1.00 0.00 N ATOM 155 CA PHE A 13 -7.202 6.791 6.301 1.00 0.00 C ATOM 156 C PHE A 13 -8.624 6.874 5.755 1.00 0.00 C ATOM 157 O PHE A 13 -9.437 5.975 5.971 1.00 0.00 O ATOM 158 CB PHE A 13 -6.594 5.427 5.968 1.00 0.00 C ATOM 159 CG PHE A 13 -5.259 5.191 6.616 1.00 0.00 C ATOM 160 CD1 PHE A 13 -4.147 5.918 6.223 1.00 0.00 C ATOM 161 CD2 PHE A 13 -5.118 4.244 7.617 1.00 0.00 C ATOM 162 CE1 PHE A 13 -2.917 5.702 6.817 1.00 0.00 C ATOM 163 CE2 PHE A 13 -3.891 4.024 8.214 1.00 0.00 C ATOM 164 CZ PHE A 13 -2.789 4.755 7.814 1.00 0.00 C ATOM 0 H PHE A 13 -7.755 6.358 8.277 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.605 7.572 5.830 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.285 4.644 6.282 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.484 5.341 4.887 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.242 6.661 5.445 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.977 3.671 7.935 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.057 6.274 6.501 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.794 3.282 8.992 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.829 4.586 8.280 1.00 0.00 H new ATOM 174 N ALA A 14 -8.917 7.959 5.046 1.00 0.00 N ATOM 175 CA ALA A 14 -10.240 8.159 4.467 1.00 0.00 C ATOM 176 C ALA A 14 -10.554 7.085 3.432 1.00 0.00 C ATOM 177 O ALA A 14 -9.662 6.600 2.736 1.00 0.00 O ATOM 178 CB ALA A 14 -10.338 9.543 3.842 1.00 0.00 C ATOM 0 H ALA A 14 -8.256 8.713 4.859 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.976 8.081 5.267 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.331 9.679 3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.166 10.301 4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.588 9.642 3.058 1.00 0.00 H new ATOM 184 N ASP A 15 -11.827 6.718 3.335 1.00 0.00 N ATOM 185 CA ASP A 15 -12.260 5.701 2.383 1.00 0.00 C ATOM 186 C ASP A 15 -11.904 6.106 0.956 1.00 0.00 C ATOM 187 O ASP A 15 -12.247 7.199 0.507 1.00 0.00 O ATOM 188 CB ASP A 15 -13.767 5.470 2.501 1.00 0.00 C ATOM 189 CG ASP A 15 -14.553 6.766 2.509 1.00 0.00 C ATOM 190 OD1 ASP A 15 -14.377 7.560 3.458 1.00 0.00 O ATOM 191 OD2 ASP A 15 -15.344 6.988 1.568 1.00 0.00 O ATOM 0 H ASP A 15 -12.578 7.110 3.904 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.739 4.773 2.618 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.103 4.850 1.670 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.976 4.916 3.416 1.00 0.00 H new ATOM 196 N GLY A 16 -11.214 5.218 0.248 1.00 0.00 N ATOM 197 CA GLY A 16 -10.823 5.502 -1.120 1.00 0.00 C ATOM 198 C GLY A 16 -9.451 6.141 -1.210 1.00 0.00 C ATOM 199 O GLY A 16 -8.796 6.074 -2.250 1.00 0.00 O ATOM 0 H GLY A 16 -10.919 4.306 0.597 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.828 4.576 -1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.559 6.164 -1.575 1.00 0.00 H new ATOM 203 N GLU A 17 -9.018 6.764 -0.119 1.00 0.00 N ATOM 204 CA GLU A 17 -7.716 7.420 -0.081 1.00 0.00 C ATOM 205 C GLU A 17 -6.608 6.456 -0.494 1.00 0.00 C ATOM 206 O GLU A 17 -6.639 5.274 -0.153 1.00 0.00 O ATOM 207 CB GLU A 17 -7.436 7.966 1.321 1.00 0.00 C ATOM 208 CG GLU A 17 -6.486 9.151 1.334 1.00 0.00 C ATOM 209 CD GLU A 17 -5.668 9.230 2.609 1.00 0.00 C ATOM 210 OE1 GLU A 17 -6.272 9.203 3.702 1.00 0.00 O ATOM 211 OE2 GLU A 17 -4.426 9.319 2.514 1.00 0.00 O ATOM 0 H GLU A 17 -9.549 6.828 0.750 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.735 8.249 -0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.379 8.262 1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.017 7.169 1.935 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.813 9.082 0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.058 10.071 1.216 1.00 0.00 H new ATOM 218 N VAL A 18 -5.629 6.970 -1.233 1.00 0.00 N ATOM 219 CA VAL A 18 -4.511 6.155 -1.693 1.00 0.00 C ATOM 220 C VAL A 18 -3.327 6.257 -0.738 1.00 0.00 C ATOM 221 O VAL A 18 -2.600 7.250 -0.736 1.00 0.00 O ATOM 222 CB VAL A 18 -4.055 6.574 -3.104 1.00 0.00 C ATOM 223 CG1 VAL A 18 -2.908 5.695 -3.577 1.00 0.00 C ATOM 224 CG2 VAL A 18 -5.221 6.514 -4.079 1.00 0.00 C ATOM 0 H VAL A 18 -5.588 7.946 -1.525 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.862 5.124 -1.723 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.698 7.603 -3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.599 6.006 -4.575 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.067 5.793 -2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.234 4.655 -3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.882 6.813 -5.071 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.609 5.496 -4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.009 7.190 -3.746 1.00 0.00 H new ATOM 234 N VAL A 19 -3.139 5.222 0.075 1.00 0.00 N ATOM 235 CA VAL A 19 -2.043 5.194 1.036 1.00 0.00 C ATOM 236 C VAL A 19 -1.176 3.954 0.843 1.00 0.00 C ATOM 237 O VAL A 19 -1.449 3.121 -0.021 1.00 0.00 O ATOM 238 CB VAL A 19 -2.564 5.222 2.484 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.432 6.449 2.716 1.00 0.00 C ATOM 240 CG2 VAL A 19 -3.334 3.948 2.798 1.00 0.00 C ATOM 0 H VAL A 19 -3.732 4.392 0.087 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.443 6.086 0.858 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.709 5.278 3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.791 6.451 3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.845 7.349 2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.283 6.427 2.035 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.695 3.985 3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.182 3.858 2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.678 3.086 2.675 1.00 0.00 H new ATOM 250 N ARG A 20 -0.130 3.838 1.655 1.00 0.00 N ATOM 251 CA ARG A 20 0.778 2.701 1.574 1.00 0.00 C ATOM 252 C ARG A 20 0.470 1.681 2.666 1.00 0.00 C ATOM 253 O ARG A 20 0.243 2.041 3.820 1.00 0.00 O ATOM 254 CB ARG A 20 2.229 3.170 1.693 1.00 0.00 C ATOM 255 CG ARG A 20 2.600 4.260 0.701 1.00 0.00 C ATOM 256 CD ARG A 20 4.071 4.192 0.323 1.00 0.00 C ATOM 257 NE ARG A 20 4.580 5.483 -0.133 1.00 0.00 N ATOM 258 CZ ARG A 20 5.689 5.624 -0.851 1.00 0.00 C ATOM 259 NH1 ARG A 20 6.401 4.559 -1.193 1.00 0.00 N ATOM 260 NH2 ARG A 20 6.086 6.832 -1.229 1.00 0.00 N ATOM 0 H ARG A 20 0.109 4.518 2.377 1.00 0.00 H new ATOM 0 HA ARG A 20 0.637 2.223 0.604 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.401 3.537 2.705 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.891 2.317 1.547 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.988 4.161 -0.196 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.379 5.236 1.132 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.651 3.857 1.183 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.209 3.450 -0.463 1.00 0.00 H new ATOM 0 HE ARG A 20 4.055 6.322 0.113 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.098 3.629 -0.905 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.252 4.670 -1.744 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.540 7.653 -0.968 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.937 6.940 -1.780 1.00 0.00 H new ATOM 274 N GLY A 21 0.465 0.404 2.293 1.00 0.00 N ATOM 275 CA GLY A 21 0.184 -0.648 3.252 1.00 0.00 C ATOM 276 C GLY A 21 1.301 -1.669 3.337 1.00 0.00 C ATOM 277 O GLY A 21 1.691 -2.257 2.328 1.00 0.00 O ATOM 0 H GLY A 21 0.651 0.080 1.344 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.025 -0.206 4.235 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.743 -1.150 2.974 1.00 0.00 H new ATOM 281 N ARG A 22 1.818 -1.879 4.542 1.00 0.00 N ATOM 282 CA ARG A 22 2.899 -2.834 4.754 1.00 0.00 C ATOM 283 C ARG A 22 2.414 -4.263 4.529 1.00 0.00 C ATOM 284 O ARG A 22 1.727 -4.836 5.375 1.00 0.00 O ATOM 285 CB ARG A 22 3.464 -2.692 6.169 1.00 0.00 C ATOM 286 CG ARG A 22 4.515 -3.736 6.513 1.00 0.00 C ATOM 287 CD ARG A 22 5.149 -3.462 7.868 1.00 0.00 C ATOM 288 NE ARG A 22 5.837 -4.637 8.397 1.00 0.00 N ATOM 289 CZ ARG A 22 6.802 -4.575 9.308 1.00 0.00 C ATOM 290 NH1 ARG A 22 7.190 -3.402 9.788 1.00 0.00 N ATOM 291 NH2 ARG A 22 7.380 -5.688 9.740 1.00 0.00 N ATOM 0 H ARG A 22 1.506 -1.401 5.387 1.00 0.00 H new ATOM 0 HA ARG A 22 3.687 -2.618 4.032 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.901 -1.699 6.279 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.646 -2.762 6.886 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.059 -4.726 6.517 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.287 -3.744 5.744 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.856 -2.638 7.777 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.379 -3.145 8.571 1.00 0.00 H new ATOM 0 HE ARG A 22 5.562 -5.555 8.048 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.747 -2.544 9.458 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.931 -3.357 10.487 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.084 -6.592 9.373 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.121 -5.640 10.439 1.00 0.00 H new ATOM 305 N TRP A 23 2.776 -4.832 3.385 1.00 0.00 N ATOM 306 CA TRP A 23 2.377 -6.194 3.049 1.00 0.00 C ATOM 307 C TRP A 23 2.323 -7.069 4.296 1.00 0.00 C ATOM 308 O TRP A 23 3.180 -6.989 5.176 1.00 0.00 O ATOM 309 CB TRP A 23 3.347 -6.795 2.030 1.00 0.00 C ATOM 310 CG TRP A 23 2.798 -7.997 1.325 1.00 0.00 C ATOM 311 CD1 TRP A 23 3.131 -9.303 1.549 1.00 0.00 C ATOM 312 CD2 TRP A 23 1.819 -8.005 0.279 1.00 0.00 C ATOM 313 NE1 TRP A 23 2.419 -10.121 0.706 1.00 0.00 N ATOM 314 CE2 TRP A 23 1.607 -9.350 -0.082 1.00 0.00 C ATOM 315 CE3 TRP A 23 1.101 -7.008 -0.385 1.00 0.00 C ATOM 316 CZ2 TRP A 23 0.707 -9.719 -1.079 1.00 0.00 C ATOM 317 CZ3 TRP A 23 0.209 -7.376 -1.374 1.00 0.00 C ATOM 318 CH2 TRP A 23 0.017 -8.722 -1.713 1.00 0.00 C ATOM 0 H TRP A 23 3.345 -4.372 2.675 1.00 0.00 H new ATOM 0 HA TRP A 23 1.379 -6.156 2.612 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.604 -6.035 1.292 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.271 -7.071 2.538 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.849 -9.642 2.281 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.485 -11.138 0.672 1.00 0.00 H new ATOM 0 HE3 TRP A 23 1.240 -5.968 -0.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 0.559 -10.756 -1.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -0.350 -6.613 -1.895 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -0.689 -8.977 -2.489 1.00 0.00 H new ATOM 329 N PRO A 24 1.294 -7.925 4.376 1.00 0.00 N ATOM 330 CA PRO A 24 1.105 -8.832 5.512 1.00 0.00 C ATOM 331 C PRO A 24 2.155 -9.938 5.552 1.00 0.00 C ATOM 332 O PRO A 24 2.111 -10.818 6.410 1.00 0.00 O ATOM 333 CB PRO A 24 -0.285 -9.423 5.267 1.00 0.00 C ATOM 334 CG PRO A 24 -0.486 -9.321 3.794 1.00 0.00 C ATOM 335 CD PRO A 24 0.235 -8.073 3.364 1.00 0.00 C ATOM 0 HA PRO A 24 1.201 -8.315 6.467 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.340 -10.458 5.603 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.052 -8.870 5.810 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.087 -10.198 3.284 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.546 -9.264 3.548 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.649 -8.174 2.361 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.430 -7.210 3.349 1.00 0.00 H new ATOM 343 N GLY A 25 3.099 -9.885 4.617 1.00 0.00 N ATOM 344 CA GLY A 25 4.146 -10.888 4.563 1.00 0.00 C ATOM 345 C GLY A 25 5.450 -10.336 4.022 1.00 0.00 C ATOM 346 O GLY A 25 6.112 -10.977 3.206 1.00 0.00 O ATOM 0 H GLY A 25 3.157 -9.165 3.896 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.312 -11.290 5.563 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.818 -11.718 3.936 1.00 0.00 H new ATOM 350 N SER A 26 5.820 -9.143 4.477 1.00 0.00 N ATOM 351 CA SER A 26 7.051 -8.502 4.029 1.00 0.00 C ATOM 352 C SER A 26 7.310 -7.217 4.810 1.00 0.00 C ATOM 353 O SER A 26 6.460 -6.761 5.575 1.00 0.00 O ATOM 354 CB SER A 26 6.975 -8.195 2.532 1.00 0.00 C ATOM 355 OG SER A 26 8.262 -8.231 1.939 1.00 0.00 O ATOM 0 H SER A 26 5.285 -8.601 5.155 1.00 0.00 H new ATOM 0 HA SER A 26 7.877 -9.190 4.211 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.325 -8.919 2.041 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.529 -7.212 2.381 1.00 0.00 H new ATOM 0 HG SER A 26 8.187 -8.033 0.982 1.00 0.00 H new ATOM 361 N SER A 27 8.490 -6.639 4.611 1.00 0.00 N ATOM 362 CA SER A 27 8.864 -5.409 5.299 1.00 0.00 C ATOM 363 C SER A 27 8.915 -4.236 4.325 1.00 0.00 C ATOM 364 O SER A 27 9.697 -3.300 4.502 1.00 0.00 O ATOM 365 CB SER A 27 10.221 -5.576 5.985 1.00 0.00 C ATOM 366 OG SER A 27 10.095 -6.311 7.191 1.00 0.00 O ATOM 0 H SER A 27 9.203 -7.003 3.979 1.00 0.00 H new ATOM 0 HA SER A 27 8.106 -5.199 6.054 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.911 -6.088 5.314 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.649 -4.596 6.196 1.00 0.00 H new ATOM 0 HG SER A 27 10.976 -6.406 7.610 1.00 0.00 H new ATOM 372 N LEU A 28 8.076 -4.292 3.296 1.00 0.00 N ATOM 373 CA LEU A 28 8.024 -3.235 2.292 1.00 0.00 C ATOM 374 C LEU A 28 6.609 -2.682 2.157 1.00 0.00 C ATOM 375 O LEU A 28 5.629 -3.405 2.336 1.00 0.00 O ATOM 376 CB LEU A 28 8.509 -3.763 0.941 1.00 0.00 C ATOM 377 CG LEU A 28 9.898 -4.403 0.930 1.00 0.00 C ATOM 378 CD1 LEU A 28 10.150 -5.108 -0.394 1.00 0.00 C ATOM 379 CD2 LEU A 28 10.970 -3.356 1.191 1.00 0.00 C ATOM 0 H LEU A 28 7.422 -5.058 3.135 1.00 0.00 H new ATOM 0 HA LEU A 28 8.681 -2.427 2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.789 -4.498 0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.505 -2.938 0.228 1.00 0.00 H new ATOM 0 HG LEU A 28 9.942 -5.145 1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.143 -5.557 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.401 -5.886 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.087 -4.386 -1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.952 -3.830 1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.927 -2.591 0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.800 -2.896 2.165 1.00 0.00 H new ATOM 391 N TYR A 29 6.511 -1.396 1.838 1.00 0.00 N ATOM 392 CA TYR A 29 5.216 -0.745 1.678 1.00 0.00 C ATOM 393 C TYR A 29 4.905 -0.504 0.204 1.00 0.00 C ATOM 394 O TYR A 29 5.755 -0.033 -0.552 1.00 0.00 O ATOM 395 CB TYR A 29 5.190 0.581 2.440 1.00 0.00 C ATOM 396 CG TYR A 29 5.458 0.434 3.921 1.00 0.00 C ATOM 397 CD1 TYR A 29 6.722 0.093 4.388 1.00 0.00 C ATOM 398 CD2 TYR A 29 4.448 0.636 4.853 1.00 0.00 C ATOM 399 CE1 TYR A 29 6.971 -0.043 5.740 1.00 0.00 C ATOM 400 CE2 TYR A 29 4.689 0.503 6.207 1.00 0.00 C ATOM 401 CZ TYR A 29 5.951 0.163 6.645 1.00 0.00 C ATOM 402 OH TYR A 29 6.196 0.030 7.993 1.00 0.00 O ATOM 0 H TYR A 29 7.313 -0.784 1.685 1.00 0.00 H new ATOM 0 HA TYR A 29 4.453 -1.407 2.088 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.933 1.252 2.010 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.217 1.052 2.300 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.523 -0.068 3.682 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.458 0.901 4.514 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.959 -0.309 6.086 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.893 0.665 6.918 1.00 0.00 H new ATOM 0 HH TYR A 29 5.373 0.210 8.494 1.00 0.00 H new ATOM 412 N TYR A 30 3.681 -0.829 -0.197 1.00 0.00 N ATOM 413 CA TYR A 30 3.257 -0.650 -1.580 1.00 0.00 C ATOM 414 C TYR A 30 2.016 0.233 -1.659 1.00 0.00 C ATOM 415 O TYR A 30 1.268 0.358 -0.691 1.00 0.00 O ATOM 416 CB TYR A 30 2.974 -2.006 -2.228 1.00 0.00 C ATOM 417 CG TYR A 30 4.148 -2.958 -2.181 1.00 0.00 C ATOM 418 CD1 TYR A 30 5.281 -2.733 -2.954 1.00 0.00 C ATOM 419 CD2 TYR A 30 4.125 -4.081 -1.364 1.00 0.00 C ATOM 420 CE1 TYR A 30 6.356 -3.600 -2.914 1.00 0.00 C ATOM 421 CE2 TYR A 30 5.196 -4.952 -1.317 1.00 0.00 C ATOM 422 CZ TYR A 30 6.309 -4.707 -2.094 1.00 0.00 C ATOM 423 OH TYR A 30 7.377 -5.574 -2.051 1.00 0.00 O ATOM 0 H TYR A 30 2.965 -1.218 0.417 1.00 0.00 H new ATOM 0 HA TYR A 30 4.066 -0.158 -2.121 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.123 -2.468 -1.727 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.686 -1.849 -3.267 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.322 -1.866 -3.597 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.255 -4.277 -0.755 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.228 -3.411 -3.522 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.162 -5.820 -0.675 1.00 0.00 H new ATOM 0 HH TYR A 30 7.183 -6.301 -1.423 1.00 0.00 H new ATOM 433 N GLU A 31 1.805 0.844 -2.822 1.00 0.00 N ATOM 434 CA GLU A 31 0.655 1.716 -3.028 1.00 0.00 C ATOM 435 C GLU A 31 -0.644 0.916 -3.014 1.00 0.00 C ATOM 436 O GLU A 31 -0.836 0.007 -3.822 1.00 0.00 O ATOM 437 CB GLU A 31 0.789 2.468 -4.354 1.00 0.00 C ATOM 438 CG GLU A 31 -0.107 3.691 -4.453 1.00 0.00 C ATOM 439 CD GLU A 31 0.447 4.746 -5.390 1.00 0.00 C ATOM 440 OE1 GLU A 31 1.606 5.169 -5.191 1.00 0.00 O ATOM 441 OE2 GLU A 31 -0.277 5.150 -6.324 1.00 0.00 O ATOM 0 H GLU A 31 2.415 0.751 -3.634 1.00 0.00 H new ATOM 0 HA GLU A 31 0.627 2.436 -2.211 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.826 2.776 -4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.554 1.788 -5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.095 3.386 -4.799 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.236 4.123 -3.461 1.00 0.00 H new ATOM 448 N VAL A 32 -1.534 1.259 -2.088 1.00 0.00 N ATOM 449 CA VAL A 32 -2.815 0.575 -1.967 1.00 0.00 C ATOM 450 C VAL A 32 -3.937 1.558 -1.655 1.00 0.00 C ATOM 451 O VAL A 32 -3.706 2.608 -1.056 1.00 0.00 O ATOM 452 CB VAL A 32 -2.774 -0.505 -0.870 1.00 0.00 C ATOM 453 CG1 VAL A 32 -1.742 -1.571 -1.208 1.00 0.00 C ATOM 454 CG2 VAL A 32 -2.479 0.123 0.484 1.00 0.00 C ATOM 0 H VAL A 32 -1.391 2.008 -1.410 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.010 0.099 -2.928 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.752 -0.983 -0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.727 -2.326 -0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.001 -2.041 -2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.757 -1.111 -1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.454 -0.654 1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.514 0.628 0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.258 0.846 0.727 1.00 0.00 H new ATOM 464 N GLU A 33 -5.153 1.211 -2.065 1.00 0.00 N ATOM 465 CA GLU A 33 -6.311 2.065 -1.829 1.00 0.00 C ATOM 466 C GLU A 33 -7.116 1.571 -0.630 1.00 0.00 C ATOM 467 O GLU A 33 -7.156 0.373 -0.347 1.00 0.00 O ATOM 468 CB GLU A 33 -7.202 2.109 -3.072 1.00 0.00 C ATOM 469 CG GLU A 33 -8.633 2.530 -2.780 1.00 0.00 C ATOM 470 CD GLU A 33 -9.415 2.848 -4.040 1.00 0.00 C ATOM 471 OE1 GLU A 33 -8.965 3.718 -4.814 1.00 0.00 O ATOM 472 OE2 GLU A 33 -10.478 2.227 -4.251 1.00 0.00 O ATOM 0 H GLU A 33 -5.362 0.345 -2.562 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.951 3.071 -1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.769 2.800 -3.795 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.210 1.124 -3.538 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.138 1.733 -2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.625 3.406 -2.131 1.00 0.00 H new ATOM 479 N ILE A 34 -7.754 2.502 0.071 1.00 0.00 N ATOM 480 CA ILE A 34 -8.558 2.161 1.238 1.00 0.00 C ATOM 481 C ILE A 34 -9.973 1.762 0.834 1.00 0.00 C ATOM 482 O ILE A 34 -10.733 2.575 0.307 1.00 0.00 O ATOM 483 CB ILE A 34 -8.632 3.335 2.233 1.00 0.00 C ATOM 484 CG1 ILE A 34 -7.227 3.744 2.678 1.00 0.00 C ATOM 485 CG2 ILE A 34 -9.485 2.958 3.434 1.00 0.00 C ATOM 486 CD1 ILE A 34 -6.571 2.744 3.603 1.00 0.00 C ATOM 0 H ILE A 34 -7.730 3.498 -0.149 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.069 1.315 1.722 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.097 4.186 1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.600 3.877 1.796 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.281 4.710 3.180 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.528 3.798 4.128 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.493 2.711 3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.047 2.095 3.935 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.578 3.099 3.878 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.176 2.628 4.502 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.485 1.782 3.097 1.00 0.00 H new ATOM 498 N LEU A 35 -10.322 0.505 1.086 1.00 0.00 N ATOM 499 CA LEU A 35 -11.647 -0.003 0.750 1.00 0.00 C ATOM 500 C LEU A 35 -12.617 0.197 1.910 1.00 0.00 C ATOM 501 O LEU A 35 -13.732 0.686 1.723 1.00 0.00 O ATOM 502 CB LEU A 35 -11.569 -1.487 0.386 1.00 0.00 C ATOM 503 CG LEU A 35 -10.618 -1.849 -0.755 1.00 0.00 C ATOM 504 CD1 LEU A 35 -10.746 -3.323 -1.109 1.00 0.00 C ATOM 505 CD2 LEU A 35 -10.893 -0.980 -1.974 1.00 0.00 C ATOM 0 H LEU A 35 -9.706 -0.181 1.522 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.016 0.557 -0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.267 -2.043 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.570 -1.829 0.121 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.596 -1.663 -0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.062 -3.562 -1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.499 -3.929 -0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.769 -3.535 -1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.207 -1.251 -2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.920 -1.134 -2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.750 0.069 -1.713 1.00 0.00 H new ATOM 517 N SER A 36 -12.185 -0.181 3.108 1.00 0.00 N ATOM 518 CA SER A 36 -13.015 -0.044 4.299 1.00 0.00 C ATOM 519 C SER A 36 -12.165 -0.104 5.564 1.00 0.00 C ATOM 520 O SER A 36 -10.994 -0.482 5.522 1.00 0.00 O ATOM 521 CB SER A 36 -14.079 -1.143 4.334 1.00 0.00 C ATOM 522 OG SER A 36 -15.086 -0.909 3.364 1.00 0.00 O ATOM 0 H SER A 36 -11.264 -0.585 3.280 1.00 0.00 H new ATOM 0 HA SER A 36 -13.507 0.928 4.259 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.612 -2.111 4.152 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.528 -1.187 5.326 1.00 0.00 H new ATOM 0 HG SER A 36 -14.870 -0.098 2.858 1.00 0.00 H new ATOM 528 N HIS A 37 -12.763 0.273 6.690 1.00 0.00 N ATOM 529 CA HIS A 37 -12.062 0.262 7.969 1.00 0.00 C ATOM 530 C HIS A 37 -12.866 -0.493 9.023 1.00 0.00 C ATOM 531 O HIS A 37 -13.833 0.032 9.574 1.00 0.00 O ATOM 532 CB HIS A 37 -11.797 1.692 8.441 1.00 0.00 C ATOM 533 CG HIS A 37 -11.692 1.822 9.930 1.00 0.00 C ATOM 534 ND1 HIS A 37 -11.002 0.923 10.716 1.00 0.00 N ATOM 535 CD2 HIS A 37 -12.193 2.753 10.775 1.00 0.00 C ATOM 536 CE1 HIS A 37 -11.084 1.295 11.981 1.00 0.00 C ATOM 537 NE2 HIS A 37 -11.801 2.403 12.044 1.00 0.00 N ATOM 0 H HIS A 37 -13.731 0.590 6.742 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.110 -0.249 7.829 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.873 2.050 7.987 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.599 2.338 8.084 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.790 3.611 10.502 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.640 0.781 12.821 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -12.027 2.915 12.897 1.00 0.00 H new ATOM 546 N ASP A 38 -12.459 -1.728 9.297 1.00 0.00 N ATOM 547 CA ASP A 38 -13.141 -2.556 10.285 1.00 0.00 C ATOM 548 C ASP A 38 -12.742 -2.153 11.701 1.00 0.00 C ATOM 549 O ASP A 38 -11.563 -1.946 11.989 1.00 0.00 O ATOM 550 CB ASP A 38 -12.821 -4.033 10.052 1.00 0.00 C ATOM 551 CG ASP A 38 -13.731 -4.667 9.019 1.00 0.00 C ATOM 552 OD1 ASP A 38 -14.866 -4.176 8.847 1.00 0.00 O ATOM 553 OD2 ASP A 38 -13.308 -5.654 8.382 1.00 0.00 O ATOM 0 H ASP A 38 -11.661 -2.177 8.849 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.214 -2.403 10.172 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.785 -4.130 9.728 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.913 -4.574 10.994 1.00 0.00 H new ATOM 558 N SER A 39 -13.732 -2.042 12.581 1.00 0.00 N ATOM 559 CA SER A 39 -13.484 -1.658 13.966 1.00 0.00 C ATOM 560 C SER A 39 -13.388 -2.889 14.862 1.00 0.00 C ATOM 561 O SER A 39 -12.794 -2.844 15.939 1.00 0.00 O ATOM 562 CB SER A 39 -14.594 -0.733 14.468 1.00 0.00 C ATOM 563 OG SER A 39 -15.781 -1.460 14.737 1.00 0.00 O ATOM 0 H SER A 39 -14.713 -2.212 12.360 1.00 0.00 H new ATOM 0 HA SER A 39 -12.533 -1.127 14.005 1.00 0.00 H new ATOM 0 HB2 SER A 39 -14.264 -0.221 15.372 1.00 0.00 H new ATOM 0 HB3 SER A 39 -14.796 0.036 13.722 1.00 0.00 H new ATOM 0 HG SER A 39 -16.475 -0.847 15.058 1.00 0.00 H new ATOM 569 N THR A 40 -13.979 -3.991 14.408 1.00 0.00 N ATOM 570 CA THR A 40 -13.962 -5.235 15.167 1.00 0.00 C ATOM 571 C THR A 40 -12.537 -5.649 15.514 1.00 0.00 C ATOM 572 O THR A 40 -12.214 -5.882 16.679 1.00 0.00 O ATOM 573 CB THR A 40 -14.641 -6.377 14.388 1.00 0.00 C ATOM 574 OG1 THR A 40 -15.927 -5.955 13.921 1.00 0.00 O ATOM 575 CG2 THR A 40 -14.794 -7.613 15.263 1.00 0.00 C ATOM 0 H THR A 40 -14.475 -4.046 13.518 1.00 0.00 H new ATOM 0 HA THR A 40 -14.517 -5.051 16.087 1.00 0.00 H new ATOM 0 HB THR A 40 -14.011 -6.630 13.536 1.00 0.00 H new ATOM 0 HG1 THR A 40 -16.351 -6.686 13.425 1.00 0.00 H new ATOM 0 HG21 THR A 40 -15.276 -8.406 14.691 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.811 -7.949 15.593 1.00 0.00 H new ATOM 0 HG23 THR A 40 -15.405 -7.370 16.132 1.00 0.00 H new ATOM 583 N SER A 41 -11.687 -5.737 14.496 1.00 0.00 N ATOM 584 CA SER A 41 -10.295 -6.125 14.694 1.00 0.00 C ATOM 585 C SER A 41 -9.352 -5.007 14.260 1.00 0.00 C ATOM 586 O SER A 41 -8.185 -5.250 13.955 1.00 0.00 O ATOM 587 CB SER A 41 -9.984 -7.403 13.911 1.00 0.00 C ATOM 588 OG SER A 41 -10.857 -8.455 14.284 1.00 0.00 O ATOM 0 H SER A 41 -11.938 -5.545 13.526 1.00 0.00 H new ATOM 0 HA SER A 41 -10.143 -6.312 15.757 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.078 -7.210 12.842 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.951 -7.702 14.092 1.00 0.00 H new ATOM 0 HG SER A 41 -10.639 -9.259 13.769 1.00 0.00 H new ATOM 594 N GLN A 42 -9.868 -3.783 14.236 1.00 0.00 N ATOM 595 CA GLN A 42 -9.072 -2.627 13.839 1.00 0.00 C ATOM 596 C GLN A 42 -8.218 -2.948 12.617 1.00 0.00 C ATOM 597 O GLN A 42 -7.045 -2.578 12.552 1.00 0.00 O ATOM 598 CB GLN A 42 -8.179 -2.174 14.996 1.00 0.00 C ATOM 599 CG GLN A 42 -8.953 -1.621 16.181 1.00 0.00 C ATOM 600 CD GLN A 42 -9.767 -0.393 15.825 1.00 0.00 C ATOM 601 OE1 GLN A 42 -9.697 0.109 14.702 1.00 0.00 O ATOM 602 NE2 GLN A 42 -10.546 0.100 16.781 1.00 0.00 N ATOM 0 H GLN A 42 -10.833 -3.566 14.486 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.756 -1.819 13.579 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.574 -3.018 15.329 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.490 -1.411 14.635 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.618 -2.393 16.568 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.256 -1.371 16.981 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.574 -0.347 17.697 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -11.116 0.926 16.599 1.00 0.00 H new ATOM 611 N LEU A 43 -8.813 -3.638 11.650 1.00 0.00 N ATOM 612 CA LEU A 43 -8.106 -4.009 10.429 1.00 0.00 C ATOM 613 C LEU A 43 -8.630 -3.217 9.235 1.00 0.00 C ATOM 614 O LEU A 43 -9.837 -3.150 9.003 1.00 0.00 O ATOM 615 CB LEU A 43 -8.255 -5.508 10.166 1.00 0.00 C ATOM 616 CG LEU A 43 -7.382 -6.430 11.019 1.00 0.00 C ATOM 617 CD1 LEU A 43 -7.876 -7.865 10.931 1.00 0.00 C ATOM 618 CD2 LEU A 43 -5.926 -6.337 10.584 1.00 0.00 C ATOM 0 H LEU A 43 -9.783 -3.952 11.688 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.050 -3.773 10.563 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.298 -5.782 10.322 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.030 -5.696 9.116 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.452 -6.107 12.058 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.243 -8.506 11.544 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.903 -7.919 11.291 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.837 -8.200 9.895 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.319 -6.999 11.201 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.839 -6.634 9.539 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.576 -5.311 10.700 1.00 0.00 H new ATOM 630 N TYR A 44 -7.714 -2.621 8.480 1.00 0.00 N ATOM 631 CA TYR A 44 -8.082 -1.834 7.309 1.00 0.00 C ATOM 632 C TYR A 44 -7.956 -2.662 6.034 1.00 0.00 C ATOM 633 O TYR A 44 -6.895 -3.215 5.741 1.00 0.00 O ATOM 634 CB TYR A 44 -7.203 -0.586 7.210 1.00 0.00 C ATOM 635 CG TYR A 44 -7.616 0.522 8.153 1.00 0.00 C ATOM 636 CD1 TYR A 44 -7.587 0.335 9.530 1.00 0.00 C ATOM 637 CD2 TYR A 44 -8.036 1.754 7.667 1.00 0.00 C ATOM 638 CE1 TYR A 44 -7.964 1.344 10.395 1.00 0.00 C ATOM 639 CE2 TYR A 44 -8.413 2.769 8.525 1.00 0.00 C ATOM 640 CZ TYR A 44 -8.375 2.559 9.888 1.00 0.00 C ATOM 641 OH TYR A 44 -8.752 3.567 10.746 1.00 0.00 O ATOM 0 H TYR A 44 -6.711 -2.668 8.658 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.122 -1.529 7.420 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.169 -0.862 7.418 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.233 -0.211 6.187 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.264 -0.615 9.930 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.068 1.921 6.600 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.937 1.182 11.462 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.736 3.721 8.131 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.013 4.357 10.228 1.00 0.00 H new ATOM 651 N THR A 45 -9.046 -2.741 5.277 1.00 0.00 N ATOM 652 CA THR A 45 -9.058 -3.501 4.033 1.00 0.00 C ATOM 653 C THR A 45 -8.623 -2.635 2.856 1.00 0.00 C ATOM 654 O THR A 45 -9.376 -1.781 2.389 1.00 0.00 O ATOM 655 CB THR A 45 -10.457 -4.078 3.742 1.00 0.00 C ATOM 656 OG1 THR A 45 -10.937 -4.797 4.883 1.00 0.00 O ATOM 657 CG2 THR A 45 -10.420 -5.000 2.532 1.00 0.00 C ATOM 0 H THR A 45 -9.931 -2.288 5.504 1.00 0.00 H new ATOM 0 HA THR A 45 -8.352 -4.322 4.157 1.00 0.00 H new ATOM 0 HB THR A 45 -11.131 -3.249 3.527 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.827 -5.159 4.691 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.418 -5.396 2.345 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.082 -4.441 1.659 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.733 -5.824 2.724 1.00 0.00 H new ATOM 665 N VAL A 46 -7.403 -2.863 2.380 1.00 0.00 N ATOM 666 CA VAL A 46 -6.868 -2.105 1.255 1.00 0.00 C ATOM 667 C VAL A 46 -6.815 -2.958 -0.007 1.00 0.00 C ATOM 668 O VAL A 46 -6.934 -4.182 0.052 1.00 0.00 O ATOM 669 CB VAL A 46 -5.456 -1.571 1.560 1.00 0.00 C ATOM 670 CG1 VAL A 46 -5.497 -0.581 2.714 1.00 0.00 C ATOM 671 CG2 VAL A 46 -4.506 -2.719 1.865 1.00 0.00 C ATOM 0 H VAL A 46 -6.767 -3.566 2.756 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.540 -1.263 1.092 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.086 -1.049 0.678 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.490 -0.215 2.915 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.143 0.257 2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.888 -1.075 3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.513 -2.323 2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.870 -3.272 2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.453 -3.386 1.005 1.00 0.00 H new ATOM 681 N LYS A 47 -6.634 -2.304 -1.149 1.00 0.00 N ATOM 682 CA LYS A 47 -6.563 -3.002 -2.428 1.00 0.00 C ATOM 683 C LYS A 47 -5.293 -2.625 -3.183 1.00 0.00 C ATOM 684 O LYS A 47 -4.946 -1.448 -3.285 1.00 0.00 O ATOM 685 CB LYS A 47 -7.792 -2.674 -3.280 1.00 0.00 C ATOM 686 CG LYS A 47 -7.975 -3.606 -4.466 1.00 0.00 C ATOM 687 CD LYS A 47 -9.241 -3.279 -5.241 1.00 0.00 C ATOM 688 CE LYS A 47 -9.516 -4.314 -6.320 1.00 0.00 C ATOM 689 NZ LYS A 47 -10.364 -3.764 -7.413 1.00 0.00 N ATOM 0 H LYS A 47 -6.534 -1.291 -1.216 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.542 -4.073 -2.229 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.682 -2.719 -2.652 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.710 -1.649 -3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.112 -3.529 -5.127 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.017 -4.638 -4.116 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.087 -3.233 -4.555 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.146 -2.293 -5.696 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.571 -4.666 -6.735 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.011 -5.178 -5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.529 -4.500 -8.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.275 -3.452 -7.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.881 -2.955 -7.853 1.00 0.00 H new ATOM 703 N TYR A 48 -4.604 -3.630 -3.712 1.00 0.00 N ATOM 704 CA TYR A 48 -3.372 -3.404 -4.457 1.00 0.00 C ATOM 705 C TYR A 48 -3.655 -3.267 -5.950 1.00 0.00 C ATOM 706 O TYR A 48 -4.654 -3.781 -6.455 1.00 0.00 O ATOM 707 CB TYR A 48 -2.388 -4.550 -4.217 1.00 0.00 C ATOM 708 CG TYR A 48 -1.857 -4.606 -2.802 1.00 0.00 C ATOM 709 CD1 TYR A 48 -2.652 -5.065 -1.759 1.00 0.00 C ATOM 710 CD2 TYR A 48 -0.561 -4.199 -2.509 1.00 0.00 C ATOM 711 CE1 TYR A 48 -2.172 -5.117 -0.465 1.00 0.00 C ATOM 712 CE2 TYR A 48 -0.072 -4.250 -1.218 1.00 0.00 C ATOM 713 CZ TYR A 48 -0.881 -4.709 -0.199 1.00 0.00 C ATOM 714 OH TYR A 48 -0.398 -4.759 1.088 1.00 0.00 O ATOM 0 H TYR A 48 -4.878 -4.610 -3.638 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.929 -2.473 -4.102 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.880 -5.495 -4.449 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.550 -4.449 -4.907 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.662 -5.387 -1.964 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.074 -3.837 -3.304 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.804 -5.475 0.334 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.938 -3.932 -1.007 1.00 0.00 H new ATOM 0 HH TYR A 48 0.058 -5.614 1.233 1.00 0.00 H new ATOM 724 N LYS A 49 -2.769 -2.569 -6.652 1.00 0.00 N ATOM 725 CA LYS A 49 -2.920 -2.364 -8.088 1.00 0.00 C ATOM 726 C LYS A 49 -3.322 -3.661 -8.784 1.00 0.00 C ATOM 727 O LYS A 49 -4.384 -3.741 -9.401 1.00 0.00 O ATOM 728 CB LYS A 49 -1.616 -1.835 -8.688 1.00 0.00 C ATOM 729 CG LYS A 49 -1.820 -0.978 -9.926 1.00 0.00 C ATOM 730 CD LYS A 49 -0.617 -1.043 -10.853 1.00 0.00 C ATOM 731 CE LYS A 49 0.542 -0.215 -10.321 1.00 0.00 C ATOM 732 NZ LYS A 49 1.595 -0.007 -11.353 1.00 0.00 N ATOM 0 H LYS A 49 -1.938 -2.135 -6.250 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.710 -1.629 -8.243 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.090 -1.250 -7.934 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.974 -2.679 -8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.710 -1.313 -10.459 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.996 0.056 -9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.302 -2.080 -10.969 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.899 -0.683 -11.842 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.171 0.752 -9.980 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.976 -0.713 -9.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.367 0.562 -10.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.967 -0.928 -11.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.187 0.491 -12.170 1.00 0.00 H new ATOM 746 N ASP A 50 -2.469 -4.673 -8.678 1.00 0.00 N ATOM 747 CA ASP A 50 -2.737 -5.967 -9.294 1.00 0.00 C ATOM 748 C ASP A 50 -4.197 -6.367 -9.105 1.00 0.00 C ATOM 749 O ASP A 50 -4.816 -6.937 -10.003 1.00 0.00 O ATOM 750 CB ASP A 50 -1.821 -7.038 -8.701 1.00 0.00 C ATOM 751 CG ASP A 50 -0.352 -6.722 -8.905 1.00 0.00 C ATOM 752 OD1 ASP A 50 0.092 -6.695 -10.071 1.00 0.00 O ATOM 753 OD2 ASP A 50 0.353 -6.502 -7.897 1.00 0.00 O ATOM 0 H ASP A 50 -1.585 -4.622 -8.171 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.538 -5.881 -10.362 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.024 -7.135 -7.634 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.049 -8.001 -9.158 1.00 0.00 H new ATOM 758 N GLY A 51 -4.741 -6.065 -7.930 1.00 0.00 N ATOM 759 CA GLY A 51 -6.123 -6.401 -7.645 1.00 0.00 C ATOM 760 C GLY A 51 -6.257 -7.365 -6.482 1.00 0.00 C ATOM 761 O GLY A 51 -7.038 -8.315 -6.539 1.00 0.00 O ATOM 0 H GLY A 51 -4.249 -5.594 -7.171 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.677 -5.489 -7.423 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.577 -6.842 -8.533 1.00 0.00 H new ATOM 765 N THR A 52 -5.492 -7.121 -5.422 1.00 0.00 N ATOM 766 CA THR A 52 -5.526 -7.975 -4.242 1.00 0.00 C ATOM 767 C THR A 52 -6.031 -7.211 -3.024 1.00 0.00 C ATOM 768 O THR A 52 -5.749 -6.023 -2.865 1.00 0.00 O ATOM 769 CB THR A 52 -4.135 -8.557 -3.929 1.00 0.00 C ATOM 770 OG1 THR A 52 -3.617 -9.235 -5.079 1.00 0.00 O ATOM 771 CG2 THR A 52 -4.203 -9.520 -2.754 1.00 0.00 C ATOM 0 H THR A 52 -4.841 -6.338 -5.357 1.00 0.00 H new ATOM 0 HA THR A 52 -6.212 -8.793 -4.464 1.00 0.00 H new ATOM 0 HB THR A 52 -3.472 -7.733 -3.665 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.732 -9.601 -4.872 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.209 -9.918 -2.552 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.569 -8.993 -1.873 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.880 -10.340 -2.994 1.00 0.00 H new ATOM 779 N GLU A 53 -6.778 -7.899 -2.166 1.00 0.00 N ATOM 780 CA GLU A 53 -7.321 -7.283 -0.962 1.00 0.00 C ATOM 781 C GLU A 53 -6.738 -7.929 0.291 1.00 0.00 C ATOM 782 O GLU A 53 -6.668 -9.154 0.396 1.00 0.00 O ATOM 783 CB GLU A 53 -8.847 -7.400 -0.946 1.00 0.00 C ATOM 784 CG GLU A 53 -9.523 -6.702 -2.114 1.00 0.00 C ATOM 785 CD GLU A 53 -10.837 -7.353 -2.502 1.00 0.00 C ATOM 786 OE1 GLU A 53 -10.914 -8.599 -2.465 1.00 0.00 O ATOM 787 OE2 GLU A 53 -11.786 -6.617 -2.842 1.00 0.00 O ATOM 0 H GLU A 53 -7.021 -8.883 -2.283 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.044 -6.229 -0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.122 -8.455 -0.955 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.225 -6.980 -0.014 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.702 -5.658 -1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.852 -6.707 -2.973 1.00 0.00 H new ATOM 794 N LEU A 54 -6.320 -7.097 1.239 1.00 0.00 N ATOM 795 CA LEU A 54 -5.742 -7.586 2.486 1.00 0.00 C ATOM 796 C LEU A 54 -6.157 -6.706 3.661 1.00 0.00 C ATOM 797 O LEU A 54 -6.689 -5.613 3.471 1.00 0.00 O ATOM 798 CB LEU A 54 -4.216 -7.630 2.380 1.00 0.00 C ATOM 799 CG LEU A 54 -3.648 -8.363 1.165 1.00 0.00 C ATOM 800 CD1 LEU A 54 -2.156 -8.101 1.033 1.00 0.00 C ATOM 801 CD2 LEU A 54 -3.922 -9.857 1.266 1.00 0.00 C ATOM 0 H LEU A 54 -6.371 -6.081 1.168 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.117 -8.594 2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.843 -6.606 2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.823 -8.102 3.280 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.144 -7.983 0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.769 -8.631 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.984 -7.031 0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.644 -8.453 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.510 -10.362 0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.454 -10.253 2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.998 -10.027 1.310 1.00 0.00 H new ATOM 813 N GLU A 55 -5.907 -7.191 4.873 1.00 0.00 N ATOM 814 CA GLU A 55 -6.254 -6.447 6.078 1.00 0.00 C ATOM 815 C GLU A 55 -4.999 -6.001 6.823 1.00 0.00 C ATOM 816 O GLU A 55 -4.262 -6.823 7.369 1.00 0.00 O ATOM 817 CB GLU A 55 -7.129 -7.302 6.998 1.00 0.00 C ATOM 818 CG GLU A 55 -8.615 -7.194 6.697 1.00 0.00 C ATOM 819 CD GLU A 55 -9.398 -8.396 7.188 1.00 0.00 C ATOM 820 OE1 GLU A 55 -9.642 -8.485 8.409 1.00 0.00 O ATOM 821 OE2 GLU A 55 -9.765 -9.248 6.352 1.00 0.00 O ATOM 0 H GLU A 55 -5.466 -8.094 5.046 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.812 -5.560 5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.824 -8.345 6.910 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.954 -7.005 8.032 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.012 -6.292 7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.757 -7.087 5.622 1.00 0.00 H new ATOM 828 N LEU A 56 -4.761 -4.694 6.840 1.00 0.00 N ATOM 829 CA LEU A 56 -3.595 -4.137 7.516 1.00 0.00 C ATOM 830 C LEU A 56 -4.014 -3.264 8.694 1.00 0.00 C ATOM 831 O LEU A 56 -4.951 -2.471 8.591 1.00 0.00 O ATOM 832 CB LEU A 56 -2.753 -3.320 6.535 1.00 0.00 C ATOM 833 CG LEU A 56 -2.431 -3.997 5.202 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.695 -3.037 4.280 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.610 -5.258 5.428 1.00 0.00 C ATOM 0 H LEU A 56 -5.360 -4.000 6.393 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.997 -4.965 7.896 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.276 -2.386 6.329 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.814 -3.058 7.023 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.369 -4.280 4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.474 -3.536 3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.319 -2.163 4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.764 -2.723 4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.390 -5.726 4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.676 -5.000 5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.174 -5.953 6.050 1.00 0.00 H new ATOM 847 N LYS A 57 -3.313 -3.412 9.813 1.00 0.00 N ATOM 848 CA LYS A 57 -3.609 -2.634 11.011 1.00 0.00 C ATOM 849 C LYS A 57 -3.384 -1.146 10.763 1.00 0.00 C ATOM 850 O LYS A 57 -2.639 -0.764 9.861 1.00 0.00 O ATOM 851 CB LYS A 57 -2.738 -3.105 12.177 1.00 0.00 C ATOM 852 CG LYS A 57 -3.307 -4.304 12.916 1.00 0.00 C ATOM 853 CD LYS A 57 -4.245 -3.878 14.033 1.00 0.00 C ATOM 854 CE LYS A 57 -3.476 -3.467 15.280 1.00 0.00 C ATOM 855 NZ LYS A 57 -4.352 -2.788 16.273 1.00 0.00 N ATOM 0 H LYS A 57 -2.535 -4.064 9.916 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.658 -2.787 11.264 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.747 -3.358 11.800 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.611 -2.282 12.880 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.842 -4.944 12.215 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.492 -4.897 13.331 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.862 -3.046 13.694 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.921 -4.698 14.275 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.026 -4.349 15.736 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.660 -2.801 15.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.791 -2.524 17.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.762 -1.933 15.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.116 -3.432 16.560 1.00 0.00 H new ATOM 869 N GLU A 58 -4.032 -0.312 11.570 1.00 0.00 N ATOM 870 CA GLU A 58 -3.900 1.135 11.437 1.00 0.00 C ATOM 871 C GLU A 58 -2.432 1.547 11.412 1.00 0.00 C ATOM 872 O GLU A 58 -2.052 2.487 10.714 1.00 0.00 O ATOM 873 CB GLU A 58 -4.621 1.842 12.586 1.00 0.00 C ATOM 874 CG GLU A 58 -4.839 3.327 12.346 1.00 0.00 C ATOM 875 CD GLU A 58 -5.285 4.060 13.596 1.00 0.00 C ATOM 876 OE1 GLU A 58 -4.481 4.157 14.547 1.00 0.00 O ATOM 877 OE2 GLU A 58 -6.438 4.539 13.622 1.00 0.00 O ATOM 0 H GLU A 58 -4.653 -0.612 12.322 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.358 1.431 10.493 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.587 1.363 12.747 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.044 1.711 13.501 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.914 3.772 11.979 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.588 3.459 11.565 1.00 0.00 H new ATOM 884 N ASN A 59 -1.611 0.838 12.179 1.00 0.00 N ATOM 885 CA ASN A 59 -0.183 1.131 12.247 1.00 0.00 C ATOM 886 C ASN A 59 0.542 0.589 11.018 1.00 0.00 C ATOM 887 O ASN A 59 1.398 1.262 10.444 1.00 0.00 O ATOM 888 CB ASN A 59 0.422 0.529 13.517 1.00 0.00 C ATOM 889 CG ASN A 59 0.073 1.327 14.758 1.00 0.00 C ATOM 890 OD1 ASN A 59 -0.951 1.086 15.397 1.00 0.00 O ATOM 891 ND2 ASN A 59 0.926 2.285 15.105 1.00 0.00 N ATOM 0 H ASN A 59 -1.909 0.056 12.762 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.060 2.214 12.272 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.067 -0.495 13.635 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.506 0.481 13.412 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.744 2.855 15.931 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.763 2.450 14.546 1.00 0.00 H new ATOM 898 N ASP A 60 0.192 -0.629 10.621 1.00 0.00 N ATOM 899 CA ASP A 60 0.808 -1.261 9.460 1.00 0.00 C ATOM 900 C ASP A 60 0.707 -0.359 8.234 1.00 0.00 C ATOM 901 O ASP A 60 1.562 -0.400 7.349 1.00 0.00 O ATOM 902 CB ASP A 60 0.145 -2.609 9.174 1.00 0.00 C ATOM 903 CG ASP A 60 0.415 -3.630 10.262 1.00 0.00 C ATOM 904 OD1 ASP A 60 0.633 -3.218 11.420 1.00 0.00 O ATOM 905 OD2 ASP A 60 0.409 -4.840 9.955 1.00 0.00 O ATOM 0 H ASP A 60 -0.515 -1.199 11.086 1.00 0.00 H new ATOM 0 HA ASP A 60 1.862 -1.425 9.683 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.931 -2.467 9.072 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.507 -2.994 8.221 1.00 0.00 H new ATOM 910 N ILE A 61 -0.344 0.452 8.188 1.00 0.00 N ATOM 911 CA ILE A 61 -0.557 1.363 7.070 1.00 0.00 C ATOM 912 C ILE A 61 0.165 2.687 7.294 1.00 0.00 C ATOM 913 O ILE A 61 0.129 3.249 8.389 1.00 0.00 O ATOM 914 CB ILE A 61 -2.056 1.640 6.847 1.00 0.00 C ATOM 915 CG1 ILE A 61 -2.822 0.325 6.694 1.00 0.00 C ATOM 916 CG2 ILE A 61 -2.255 2.521 5.622 1.00 0.00 C ATOM 917 CD1 ILE A 61 -4.325 0.495 6.719 1.00 0.00 C ATOM 0 H ILE A 61 -1.061 0.497 8.912 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.150 0.875 6.184 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.447 2.167 7.717 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.533 -0.147 5.755 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.528 -0.353 7.495 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.319 2.708 5.477 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.736 3.469 5.767 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.852 2.018 4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.803 -0.478 6.605 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.625 0.938 7.668 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.631 1.147 5.901 1.00 0.00 H new ATOM 929 N LYS A 62 0.820 3.182 6.250 1.00 0.00 N ATOM 930 CA LYS A 62 1.549 4.443 6.330 1.00 0.00 C ATOM 931 C LYS A 62 1.171 5.364 5.175 1.00 0.00 C ATOM 932 O LYS A 62 0.885 4.904 4.069 1.00 0.00 O ATOM 933 CB LYS A 62 3.057 4.184 6.318 1.00 0.00 C ATOM 934 CG LYS A 62 3.553 3.419 7.532 1.00 0.00 C ATOM 935 CD LYS A 62 5.063 3.253 7.509 1.00 0.00 C ATOM 936 CE LYS A 62 5.773 4.588 7.673 1.00 0.00 C ATOM 937 NZ LYS A 62 7.092 4.435 8.348 1.00 0.00 N ATOM 0 H LYS A 62 0.861 2.729 5.337 1.00 0.00 H new ATOM 0 HA LYS A 62 1.278 4.933 7.265 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.314 3.626 5.418 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.581 5.138 6.262 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.258 3.945 8.440 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.079 2.438 7.564 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.368 2.577 8.308 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.365 2.792 6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.917 5.046 6.694 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.145 5.265 8.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.544 5.367 8.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.953 4.022 9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.701 3.809 7.783 1.00 0.00 H new ATOM 951 N SER A 63 1.173 6.667 5.438 1.00 0.00 N ATOM 952 CA SER A 63 0.828 7.653 4.421 1.00 0.00 C ATOM 953 C SER A 63 1.731 8.878 4.523 1.00 0.00 C ATOM 954 O SER A 63 2.139 9.273 5.615 1.00 0.00 O ATOM 955 CB SER A 63 -0.636 8.072 4.562 1.00 0.00 C ATOM 956 OG SER A 63 -0.970 9.084 3.628 1.00 0.00 O ATOM 0 H SER A 63 1.410 7.064 6.347 1.00 0.00 H new ATOM 0 HA SER A 63 0.975 7.195 3.443 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.281 7.207 4.411 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.818 8.433 5.574 1.00 0.00 H new ATOM 0 HG SER A 63 -1.912 9.333 3.738 1.00 0.00 H new