USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 532 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 54 GLN :FLIP amide:sc= -9.63! C(o=-12!,f=-9.6!) USER MOD Set 1.2: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 37 ASN :FLIP amide:sc= -2.12 F(o=-3!,f=-2.1) USER MOD Set 2.3: A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 159:sc= -0.0369 (180deg=-0.33) USER MOD Single : A 25 MET CE :methyl -155:sc= -0.225 (180deg=-1.09) USER MOD Single : A 27 THR OG1 : rot -110:sc= 1.21 USER MOD Single : A 34 THR OG1 : rot 130:sc= 0.00479 USER MOD Single : A 35 ASN : amide:sc= -5.74! C(o=-5.7!,f=-5.5!) USER MOD Single : A 40 ASN : amide:sc= -0.253 K(o=-0.25,f=-3.9!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.06 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0221 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0.352 X(o=0.35,f=-0.0026) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.748 K(o=0.75,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 197 N TRP A 16 0.083 -6.024 -1.958 1.00 0.00 N ATOM 198 CA TRP A 16 -0.749 -5.322 -0.987 1.00 0.00 C ATOM 199 C TRP A 16 -0.562 -5.902 0.410 1.00 0.00 C ATOM 200 O TRP A 16 -0.289 -5.172 1.363 1.00 0.00 O ATOM 201 CB TRP A 16 -2.222 -5.403 -1.394 1.00 0.00 C ATOM 202 CG TRP A 16 -2.565 -4.527 -2.560 1.00 0.00 C ATOM 203 CD1 TRP A 16 -1.734 -4.153 -3.577 1.00 0.00 C ATOM 204 CD2 TRP A 16 -3.831 -3.914 -2.828 1.00 0.00 C ATOM 205 NE1 TRP A 16 -2.406 -3.345 -4.461 1.00 0.00 N ATOM 206 CE2 TRP A 16 -3.695 -3.184 -4.025 1.00 0.00 C ATOM 207 CE3 TRP A 16 -5.066 -3.913 -2.175 1.00 0.00 C ATOM 208 CZ2 TRP A 16 -4.747 -2.460 -4.579 1.00 0.00 C ATOM 209 CZ3 TRP A 16 -6.110 -3.194 -2.726 1.00 0.00 C ATOM 210 CH2 TRP A 16 -5.946 -2.476 -3.918 1.00 0.00 C ATOM 0 HA TRP A 16 -0.441 -4.277 -0.970 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.467 -6.436 -1.640 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.843 -5.122 -0.543 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -0.700 -4.449 -3.672 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.010 -2.932 -5.305 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.203 -4.464 -1.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.622 -1.906 -5.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -7.069 -3.185 -2.229 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -6.781 -1.925 -4.323 1.00 0.00 H new ATOM 221 N GLU A 17 -0.711 -7.218 0.525 1.00 0.00 N ATOM 222 CA GLU A 17 -0.558 -7.894 1.808 1.00 0.00 C ATOM 223 C GLU A 17 0.746 -7.486 2.486 1.00 0.00 C ATOM 224 O GLU A 17 0.811 -7.360 3.710 1.00 0.00 O ATOM 225 CB GLU A 17 -0.594 -9.412 1.618 1.00 0.00 C ATOM 226 CG GLU A 17 -0.397 -10.192 2.907 1.00 0.00 C ATOM 227 CD GLU A 17 -0.981 -11.590 2.837 1.00 0.00 C ATOM 228 OE1 GLU A 17 -0.257 -12.515 2.416 1.00 0.00 O ATOM 229 OE2 GLU A 17 -2.163 -11.757 3.205 1.00 0.00 O ATOM 0 H GLU A 17 -0.937 -7.837 -0.254 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.389 -7.596 2.448 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.551 -9.692 1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.181 -9.699 0.907 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.668 -10.258 3.128 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.861 -9.649 3.731 1.00 0.00 H new ATOM 236 N LYS A 18 1.785 -7.281 1.683 1.00 0.00 N ATOM 237 CA LYS A 18 3.089 -6.887 2.203 1.00 0.00 C ATOM 238 C LYS A 18 3.080 -5.426 2.642 1.00 0.00 C ATOM 239 O LYS A 18 3.410 -5.111 3.785 1.00 0.00 O ATOM 240 CB LYS A 18 4.171 -7.106 1.143 1.00 0.00 C ATOM 241 CG LYS A 18 4.688 -8.533 1.087 1.00 0.00 C ATOM 242 CD LYS A 18 5.979 -8.627 0.292 1.00 0.00 C ATOM 243 CE LYS A 18 7.186 -8.266 1.145 1.00 0.00 C ATOM 244 NZ LYS A 18 7.442 -9.282 2.203 1.00 0.00 N ATOM 0 H LYS A 18 1.749 -7.381 0.669 1.00 0.00 H new ATOM 0 HA LYS A 18 3.309 -7.508 3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.771 -6.835 0.166 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.005 -6.434 1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.855 -8.900 2.099 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.934 -9.177 0.635 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.096 -9.639 -0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.927 -7.960 -0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.066 -8.175 0.509 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.025 -7.292 1.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.430 -9.211 2.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.806 -9.113 3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.269 -10.233 1.820 1.00 0.00 H new ATOM 258 N GLU A 19 2.700 -4.540 1.727 1.00 0.00 N ATOM 259 CA GLU A 19 2.649 -3.113 2.022 1.00 0.00 C ATOM 260 C GLU A 19 1.758 -2.839 3.231 1.00 0.00 C ATOM 261 O GLU A 19 2.018 -1.923 4.010 1.00 0.00 O ATOM 262 CB GLU A 19 2.133 -2.337 0.808 1.00 0.00 C ATOM 263 CG GLU A 19 2.882 -2.648 -0.476 1.00 0.00 C ATOM 264 CD GLU A 19 4.326 -3.038 -0.230 1.00 0.00 C ATOM 265 OE1 GLU A 19 4.591 -4.243 -0.037 1.00 0.00 O ATOM 266 OE2 GLU A 19 5.192 -2.138 -0.229 1.00 0.00 O ATOM 0 H GLU A 19 2.423 -4.785 0.776 1.00 0.00 H new ATOM 0 HA GLU A 19 3.660 -2.779 2.254 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.076 -2.562 0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.207 -1.269 1.012 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.375 -3.458 -1.000 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.851 -1.777 -1.130 1.00 0.00 H new ATOM 273 N GLU A 20 0.707 -3.639 3.378 1.00 0.00 N ATOM 274 CA GLU A 20 -0.222 -3.482 4.490 1.00 0.00 C ATOM 275 C GLU A 20 0.524 -3.438 5.821 1.00 0.00 C ATOM 276 O GLU A 20 0.064 -2.824 6.783 1.00 0.00 O ATOM 277 CB GLU A 20 -1.239 -4.625 4.500 1.00 0.00 C ATOM 278 CG GLU A 20 -2.500 -4.326 3.706 1.00 0.00 C ATOM 279 CD GLU A 20 -3.499 -3.496 4.489 1.00 0.00 C ATOM 280 OE1 GLU A 20 -4.254 -4.081 5.293 1.00 0.00 O ATOM 281 OE2 GLU A 20 -3.525 -2.262 4.298 1.00 0.00 O ATOM 0 H GLU A 20 0.478 -4.402 2.741 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.750 -2.537 4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.769 -5.521 4.095 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.513 -4.847 5.531 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.232 -3.798 2.791 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.968 -5.264 3.407 1.00 0.00 H new ATOM 288 N ALA A 21 1.678 -4.096 5.867 1.00 0.00 N ATOM 289 CA ALA A 21 2.489 -4.131 7.077 1.00 0.00 C ATOM 290 C ALA A 21 3.252 -2.825 7.266 1.00 0.00 C ATOM 291 O ALA A 21 3.456 -2.370 8.392 1.00 0.00 O ATOM 292 CB ALA A 21 3.454 -5.307 7.032 1.00 0.00 C ATOM 0 H ALA A 21 2.072 -4.612 5.080 1.00 0.00 H new ATOM 0 HA ALA A 21 1.820 -4.256 7.929 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.053 -5.321 7.942 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.891 -6.237 6.954 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.110 -5.207 6.167 1.00 0.00 H new ATOM 298 N LEU A 22 3.673 -2.226 6.157 1.00 0.00 N ATOM 299 CA LEU A 22 4.415 -0.971 6.200 1.00 0.00 C ATOM 300 C LEU A 22 3.516 0.179 6.644 1.00 0.00 C ATOM 301 O LEU A 22 3.997 1.246 7.022 1.00 0.00 O ATOM 302 CB LEU A 22 5.015 -0.663 4.827 1.00 0.00 C ATOM 303 CG LEU A 22 5.852 -1.777 4.196 1.00 0.00 C ATOM 304 CD1 LEU A 22 5.868 -1.639 2.681 1.00 0.00 C ATOM 305 CD2 LEU A 22 7.269 -1.758 4.750 1.00 0.00 C ATOM 0 H LEU A 22 3.513 -2.589 5.217 1.00 0.00 H new ATOM 0 HA LEU A 22 5.221 -1.079 6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.202 -0.415 4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.638 0.227 4.916 1.00 0.00 H new ATOM 0 HG LEU A 22 5.397 -2.735 4.449 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.468 -2.440 2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.849 -1.703 2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.298 -0.675 2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.850 -2.557 4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.734 -0.797 4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.240 -1.906 5.830 1.00 0.00 H new ATOM 317 N GLY A 23 2.207 -0.048 6.596 1.00 0.00 N ATOM 318 CA GLY A 23 1.261 0.977 6.997 1.00 0.00 C ATOM 319 C GLY A 23 1.444 2.268 6.225 1.00 0.00 C ATOM 320 O GLY A 23 1.299 2.294 5.004 1.00 0.00 O ATOM 0 H GLY A 23 1.785 -0.923 6.287 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.246 0.609 6.848 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.375 1.175 8.063 1.00 0.00 H new ATOM 324 N GLU A 24 1.761 3.343 6.941 1.00 0.00 N ATOM 325 CA GLU A 24 1.961 4.645 6.314 1.00 0.00 C ATOM 326 C GLU A 24 3.083 4.586 5.282 1.00 0.00 C ATOM 327 O GLU A 24 3.202 5.463 4.427 1.00 0.00 O ATOM 328 CB GLU A 24 2.282 5.702 7.373 1.00 0.00 C ATOM 329 CG GLU A 24 1.194 5.863 8.422 1.00 0.00 C ATOM 330 CD GLU A 24 1.740 6.306 9.765 1.00 0.00 C ATOM 331 OE1 GLU A 24 2.000 7.517 9.929 1.00 0.00 O ATOM 332 OE2 GLU A 24 1.907 5.443 10.653 1.00 0.00 O ATOM 0 H GLU A 24 1.885 3.338 7.953 1.00 0.00 H new ATOM 0 HA GLU A 24 1.037 4.920 5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.216 5.436 7.868 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.444 6.660 6.880 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.463 6.592 8.073 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.668 4.916 8.542 1.00 0.00 H new ATOM 339 N MET A 25 3.906 3.545 5.370 1.00 0.00 N ATOM 340 CA MET A 25 5.019 3.371 4.444 1.00 0.00 C ATOM 341 C MET A 25 4.567 2.640 3.183 1.00 0.00 C ATOM 342 O MET A 25 5.307 2.561 2.203 1.00 0.00 O ATOM 343 CB MET A 25 6.154 2.597 5.118 1.00 0.00 C ATOM 344 CG MET A 25 7.198 3.491 5.765 1.00 0.00 C ATOM 345 SD MET A 25 8.285 4.275 4.559 1.00 0.00 S ATOM 346 CE MET A 25 9.075 2.842 3.832 1.00 0.00 C ATOM 0 H MET A 25 3.823 2.810 6.073 1.00 0.00 H new ATOM 0 HA MET A 25 5.382 4.359 4.160 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.733 1.937 5.876 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.640 1.962 4.377 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.698 4.261 6.352 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.797 2.901 6.458 1.00 0.00 H new ATOM 0 HE1 MET A 25 10.043 3.129 3.421 1.00 0.00 H new ATOM 0 HE2 MET A 25 9.218 2.078 4.596 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.446 2.445 3.035 1.00 0.00 H new ATOM 356 N ALA A 26 3.350 2.108 3.217 1.00 0.00 N ATOM 357 CA ALA A 26 2.800 1.386 2.076 1.00 0.00 C ATOM 358 C ALA A 26 3.242 2.020 0.761 1.00 0.00 C ATOM 359 O ALA A 26 3.011 3.206 0.522 1.00 0.00 O ATOM 360 CB ALA A 26 1.282 1.344 2.160 1.00 0.00 C ATOM 0 H ALA A 26 2.726 2.163 4.022 1.00 0.00 H new ATOM 0 HA ALA A 26 3.182 0.366 2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.885 0.802 1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.982 0.839 3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.889 2.361 2.160 1.00 0.00 H new ATOM 366 N THR A 27 3.879 1.222 -0.090 1.00 0.00 N ATOM 367 CA THR A 27 4.355 1.705 -1.380 1.00 0.00 C ATOM 368 C THR A 27 3.236 1.700 -2.416 1.00 0.00 C ATOM 369 O THR A 27 3.490 1.764 -3.619 1.00 0.00 O ATOM 370 CB THR A 27 5.526 0.851 -1.903 1.00 0.00 C ATOM 371 OG1 THR A 27 5.089 -0.494 -2.129 1.00 0.00 O ATOM 372 CG2 THR A 27 6.682 0.855 -0.914 1.00 0.00 C ATOM 0 H THR A 27 4.077 0.238 0.091 1.00 0.00 H new ATOM 0 HA THR A 27 4.700 2.727 -1.226 1.00 0.00 H new ATOM 0 HB THR A 27 5.871 1.283 -2.843 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.495 -1.086 -1.462 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.497 0.246 -1.305 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.031 1.877 -0.767 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.347 0.445 0.039 1.00 0.00 H new ATOM 380 N VAL A 28 1.997 1.625 -1.941 1.00 0.00 N ATOM 381 CA VAL A 28 0.838 1.614 -2.826 1.00 0.00 C ATOM 382 C VAL A 28 -0.106 2.769 -2.510 1.00 0.00 C ATOM 383 O VAL A 28 -0.084 3.318 -1.408 1.00 0.00 O ATOM 384 CB VAL A 28 0.063 0.288 -2.719 1.00 0.00 C ATOM 385 CG1 VAL A 28 -0.601 -0.052 -4.045 1.00 0.00 C ATOM 386 CG2 VAL A 28 0.987 -0.835 -2.273 1.00 0.00 C ATOM 0 H VAL A 28 1.770 1.571 -0.948 1.00 0.00 H new ATOM 0 HA VAL A 28 1.215 1.725 -3.843 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.719 0.404 -1.968 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.144 -0.992 -3.950 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.296 0.742 -4.318 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.160 -0.150 -4.819 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.422 -1.765 -2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.792 -0.953 -2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.410 -0.593 -1.298 1.00 0.00 H new ATOM 396 N ALA A 29 -0.934 3.133 -3.483 1.00 0.00 N ATOM 397 CA ALA A 29 -1.888 4.221 -3.308 1.00 0.00 C ATOM 398 C ALA A 29 -3.018 3.814 -2.370 1.00 0.00 C ATOM 399 O ALA A 29 -3.251 4.435 -1.333 1.00 0.00 O ATOM 400 CB ALA A 29 -2.447 4.654 -4.655 1.00 0.00 C ATOM 0 H ALA A 29 -0.963 2.690 -4.401 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.363 5.063 -2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.158 5.467 -4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.633 4.994 -5.295 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.951 3.811 -5.128 1.00 0.00 H new ATOM 406 N PRO A 30 -3.740 2.745 -2.740 1.00 0.00 N ATOM 407 CA PRO A 30 -4.859 2.232 -1.944 1.00 0.00 C ATOM 408 C PRO A 30 -4.397 1.591 -0.640 1.00 0.00 C ATOM 409 O PRO A 30 -4.901 1.915 0.435 1.00 0.00 O ATOM 410 CB PRO A 30 -5.493 1.182 -2.861 1.00 0.00 C ATOM 411 CG PRO A 30 -4.388 0.746 -3.759 1.00 0.00 C ATOM 412 CD PRO A 30 -3.518 1.956 -3.963 1.00 0.00 C ATOM 0 HA PRO A 30 -5.543 3.025 -1.643 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.891 0.345 -2.288 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.323 1.602 -3.430 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.822 -0.071 -3.312 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.778 0.381 -4.709 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.469 1.682 -4.080 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.804 2.511 -4.857 1.00 0.00 H new ATOM 420 N VAL A 31 -3.434 0.679 -0.742 1.00 0.00 N ATOM 421 CA VAL A 31 -2.903 -0.006 0.430 1.00 0.00 C ATOM 422 C VAL A 31 -2.365 0.989 1.451 1.00 0.00 C ATOM 423 O VAL A 31 -2.147 0.645 2.614 1.00 0.00 O ATOM 424 CB VAL A 31 -1.780 -0.988 0.045 1.00 0.00 C ATOM 425 CG1 VAL A 31 -1.468 -1.923 1.203 1.00 0.00 C ATOM 426 CG2 VAL A 31 -2.165 -1.775 -1.199 1.00 0.00 C ATOM 0 H VAL A 31 -3.006 0.398 -1.624 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.728 -0.564 0.872 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.880 -0.415 -0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.673 -2.609 0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.147 -1.339 2.066 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.361 -2.492 1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.361 -2.464 -1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.077 -2.339 -1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.333 -1.087 -2.027 1.00 0.00 H new ATOM 436 N LEU A 32 -2.153 2.224 1.011 1.00 0.00 N ATOM 437 CA LEU A 32 -1.640 3.272 1.888 1.00 0.00 C ATOM 438 C LEU A 32 -2.781 4.086 2.489 1.00 0.00 C ATOM 439 O LEU A 32 -2.837 4.294 3.701 1.00 0.00 O ATOM 440 CB LEU A 32 -0.694 4.192 1.115 1.00 0.00 C ATOM 441 CG LEU A 32 -0.308 5.497 1.814 1.00 0.00 C ATOM 442 CD1 LEU A 32 0.369 5.209 3.145 1.00 0.00 C ATOM 443 CD2 LEU A 32 0.599 6.331 0.922 1.00 0.00 C ATOM 0 H LEU A 32 -2.328 2.525 0.052 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.091 2.796 2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.218 3.638 0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.158 4.438 0.160 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.217 6.066 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.637 6.149 3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.313 4.652 3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.270 4.619 2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.864 7.256 1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.505 5.769 0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.079 6.567 -0.006 1.00 0.00 H new ATOM 455 N TYR A 33 -3.691 4.541 1.634 1.00 0.00 N ATOM 456 CA TYR A 33 -4.831 5.332 2.081 1.00 0.00 C ATOM 457 C TYR A 33 -5.497 4.691 3.295 1.00 0.00 C ATOM 458 O TYR A 33 -5.668 5.329 4.334 1.00 0.00 O ATOM 459 CB TYR A 33 -5.848 5.484 0.948 1.00 0.00 C ATOM 460 CG TYR A 33 -7.171 6.064 1.396 1.00 0.00 C ATOM 461 CD1 TYR A 33 -8.174 5.248 1.903 1.00 0.00 C ATOM 462 CD2 TYR A 33 -7.416 7.429 1.312 1.00 0.00 C ATOM 463 CE1 TYR A 33 -9.384 5.774 2.312 1.00 0.00 C ATOM 464 CE2 TYR A 33 -8.623 7.964 1.721 1.00 0.00 C ATOM 465 CZ TYR A 33 -9.604 7.132 2.219 1.00 0.00 C ATOM 466 OH TYR A 33 -10.807 7.660 2.627 1.00 0.00 O ATOM 0 H TYR A 33 -3.661 4.375 0.628 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.466 6.318 2.368 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.424 6.123 0.174 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.023 4.508 0.495 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.005 4.184 1.979 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.651 8.083 0.921 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.154 5.125 2.703 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -8.797 9.028 1.651 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.799 8.631 2.496 1.00 0.00 H new ATOM 476 N THR A 34 -5.871 3.423 3.155 1.00 0.00 N ATOM 477 CA THR A 34 -6.519 2.694 4.239 1.00 0.00 C ATOM 478 C THR A 34 -5.639 2.663 5.483 1.00 0.00 C ATOM 479 O THR A 34 -6.064 3.068 6.565 1.00 0.00 O ATOM 480 CB THR A 34 -6.851 1.248 3.823 1.00 0.00 C ATOM 481 OG1 THR A 34 -5.774 0.699 3.056 1.00 0.00 O ATOM 482 CG2 THR A 34 -8.135 1.201 3.009 1.00 0.00 C ATOM 0 H THR A 34 -5.736 2.880 2.302 1.00 0.00 H new ATOM 0 HA THR A 34 -7.446 3.221 4.466 1.00 0.00 H new ATOM 0 HB THR A 34 -6.991 0.656 4.728 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.525 -0.176 3.421 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.349 0.170 2.727 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.959 1.592 3.606 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.018 1.807 2.110 1.00 0.00 H new ATOM 490 N ASN A 35 -4.411 2.180 5.323 1.00 0.00 N ATOM 491 CA ASN A 35 -3.472 2.097 6.435 1.00 0.00 C ATOM 492 C ASN A 35 -3.558 3.341 7.315 1.00 0.00 C ATOM 493 O ASN A 35 -3.412 3.261 8.535 1.00 0.00 O ATOM 494 CB ASN A 35 -2.044 1.928 5.912 1.00 0.00 C ATOM 495 CG ASN A 35 -1.718 0.485 5.576 1.00 0.00 C ATOM 496 OD1 ASN A 35 -2.391 -0.438 6.035 1.00 0.00 O ATOM 497 ND2 ASN A 35 -0.682 0.285 4.771 1.00 0.00 N ATOM 0 H ASN A 35 -4.043 1.840 4.434 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.738 1.228 7.037 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.910 2.544 5.023 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.340 2.292 6.661 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.415 -0.664 4.509 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.153 1.080 4.414 1.00 0.00 H new ATOM 504 N ILE A 36 -3.798 4.487 6.687 1.00 0.00 N ATOM 505 CA ILE A 36 -3.906 5.746 7.413 1.00 0.00 C ATOM 506 C ILE A 36 -5.347 6.018 7.831 1.00 0.00 C ATOM 507 O ILE A 36 -5.660 6.066 9.020 1.00 0.00 O ATOM 508 CB ILE A 36 -3.397 6.929 6.568 1.00 0.00 C ATOM 509 CG1 ILE A 36 -1.920 6.735 6.217 1.00 0.00 C ATOM 510 CG2 ILE A 36 -3.601 8.240 7.313 1.00 0.00 C ATOM 511 CD1 ILE A 36 -1.455 7.596 5.064 1.00 0.00 C ATOM 0 H ILE A 36 -3.921 4.569 5.678 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.284 5.651 8.303 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.970 6.967 5.642 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.314 6.959 7.095 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.748 5.687 5.970 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.236 9.066 6.702 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.662 8.381 7.517 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.051 8.213 8.254 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.399 7.406 4.871 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.036 7.356 4.173 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.595 8.647 5.316 1.00 0.00 H new ATOM 523 N ASN A 37 -6.220 6.193 6.845 1.00 0.00 N ATOM 524 CA ASN A 37 -7.630 6.459 7.110 1.00 0.00 C ATOM 525 C ASN A 37 -8.196 5.449 8.104 1.00 0.00 C ATOM 526 O ASN A 37 -8.756 5.823 9.134 1.00 0.00 O ATOM 527 CB ASN A 37 -8.432 6.415 5.808 1.00 0.00 C ATOM 528 CG ASN A 37 -8.357 7.720 5.039 1.00 0.00 C ATOM 529 OD1 ASN A 37 -7.278 7.902 4.288 1.00 0.00 O flip ATOM 530 ND2 ASN A 37 -9.260 8.553 5.119 1.00 0.00 N flip ATOM 0 H ASN A 37 -5.977 6.156 5.855 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.711 7.455 7.545 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.058 5.605 5.181 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.474 6.189 6.034 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.072 8.370 5.709 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.197 9.426 4.595 1.00 0.00 H new ATOM 537 N PHE A 38 -8.045 4.167 7.787 1.00 0.00 N ATOM 538 CA PHE A 38 -8.542 3.102 8.651 1.00 0.00 C ATOM 539 C PHE A 38 -7.392 2.414 9.381 1.00 0.00 C ATOM 540 O PHE A 38 -6.824 1.430 8.909 1.00 0.00 O ATOM 541 CB PHE A 38 -9.327 2.076 7.832 1.00 0.00 C ATOM 542 CG PHE A 38 -10.545 2.648 7.163 1.00 0.00 C ATOM 543 CD1 PHE A 38 -10.438 3.317 5.955 1.00 0.00 C ATOM 544 CD2 PHE A 38 -11.796 2.517 7.743 1.00 0.00 C ATOM 545 CE1 PHE A 38 -11.556 3.844 5.336 1.00 0.00 C ATOM 546 CE2 PHE A 38 -12.918 3.041 7.130 1.00 0.00 C ATOM 547 CZ PHE A 38 -12.797 3.707 5.925 1.00 0.00 C ATOM 0 H PHE A 38 -7.583 3.840 6.938 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.205 3.549 9.392 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.671 1.651 7.072 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.631 1.258 8.485 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.469 3.428 5.491 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.896 1.999 8.686 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.459 4.362 4.393 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -13.888 2.930 7.592 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.672 4.120 5.445 1.00 0.00 H new ATOM 557 N PRO A 39 -7.040 2.945 10.562 1.00 0.00 N ATOM 558 CA PRO A 39 -5.956 2.399 11.383 1.00 0.00 C ATOM 559 C PRO A 39 -6.312 1.045 11.987 1.00 0.00 C ATOM 560 O PRO A 39 -5.462 0.163 12.101 1.00 0.00 O ATOM 561 CB PRO A 39 -5.783 3.447 12.485 1.00 0.00 C ATOM 562 CG PRO A 39 -7.109 4.120 12.580 1.00 0.00 C ATOM 563 CD PRO A 39 -7.674 4.119 11.186 1.00 0.00 C ATOM 0 HA PRO A 39 -5.053 2.221 10.799 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.506 2.984 13.432 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.995 4.158 12.235 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.767 3.590 13.268 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.004 5.137 12.958 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.761 4.033 11.193 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.430 5.038 10.653 1.00 0.00 H new ATOM 571 N ASN A 40 -7.574 0.887 12.373 1.00 0.00 N ATOM 572 CA ASN A 40 -8.042 -0.361 12.965 1.00 0.00 C ATOM 573 C ASN A 40 -8.621 -1.286 11.899 1.00 0.00 C ATOM 574 O ASN A 40 -9.309 -2.258 12.212 1.00 0.00 O ATOM 575 CB ASN A 40 -9.096 -0.076 14.037 1.00 0.00 C ATOM 576 CG ASN A 40 -8.486 0.113 15.412 1.00 0.00 C ATOM 577 OD1 ASN A 40 -8.288 -0.849 16.154 1.00 0.00 O ATOM 578 ND2 ASN A 40 -8.184 1.359 15.759 1.00 0.00 N ATOM 0 H ASN A 40 -8.291 1.608 12.286 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.189 -0.858 13.426 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.655 0.819 13.764 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.809 -0.899 14.069 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -7.771 1.548 16.672 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.365 2.127 15.112 1.00 0.00 H new ATOM 585 N LEU A 41 -8.338 -0.977 10.639 1.00 0.00 N ATOM 586 CA LEU A 41 -8.830 -1.780 9.525 1.00 0.00 C ATOM 587 C LEU A 41 -8.711 -3.269 9.834 1.00 0.00 C ATOM 588 O LEU A 41 -9.662 -4.030 9.652 1.00 0.00 O ATOM 589 CB LEU A 41 -8.053 -1.449 8.249 1.00 0.00 C ATOM 590 CG LEU A 41 -8.603 -2.047 6.954 1.00 0.00 C ATOM 591 CD1 LEU A 41 -9.625 -1.112 6.325 1.00 0.00 C ATOM 592 CD2 LEU A 41 -7.472 -2.338 5.978 1.00 0.00 C ATOM 0 H LEU A 41 -7.770 -0.176 10.363 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.883 -1.541 9.374 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.019 -0.365 8.139 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.025 -1.789 8.375 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.100 -2.987 7.194 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.005 -1.555 5.404 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.450 -0.955 7.020 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.153 -0.156 6.100 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.882 -2.763 5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.946 -1.412 5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.777 -3.047 6.428 1.00 0.00 H new ATOM 604 N LYS A 42 -7.538 -3.679 10.304 1.00 0.00 N ATOM 605 CA LYS A 42 -7.295 -5.076 10.642 1.00 0.00 C ATOM 606 C LYS A 42 -8.423 -5.632 11.506 1.00 0.00 C ATOM 607 O LYS A 42 -8.902 -6.742 11.278 1.00 0.00 O ATOM 608 CB LYS A 42 -5.959 -5.220 11.375 1.00 0.00 C ATOM 609 CG LYS A 42 -5.746 -4.180 12.461 1.00 0.00 C ATOM 610 CD LYS A 42 -4.493 -4.468 13.270 1.00 0.00 C ATOM 611 CE LYS A 42 -4.507 -3.732 14.601 1.00 0.00 C ATOM 612 NZ LYS A 42 -3.199 -3.833 15.306 1.00 0.00 N ATOM 0 H LYS A 42 -6.740 -3.063 10.460 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.257 -5.646 9.714 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.903 -6.214 11.819 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.147 -5.149 10.651 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.669 -3.191 12.009 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.612 -4.161 13.123 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.412 -5.540 13.447 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.614 -4.172 12.698 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.749 -2.682 14.433 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.293 -4.142 15.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.250 -3.318 16.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.980 -4.833 15.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.452 -3.418 14.713 1.00 0.00 H new ATOM 626 N GLU A 43 -8.842 -4.851 12.497 1.00 0.00 N ATOM 627 CA GLU A 43 -9.915 -5.266 13.394 1.00 0.00 C ATOM 628 C GLU A 43 -11.208 -5.508 12.620 1.00 0.00 C ATOM 629 O GLU A 43 -11.763 -6.606 12.648 1.00 0.00 O ATOM 630 CB GLU A 43 -10.144 -4.207 14.474 1.00 0.00 C ATOM 631 CG GLU A 43 -8.946 -3.997 15.385 1.00 0.00 C ATOM 632 CD GLU A 43 -8.696 -5.178 16.302 1.00 0.00 C ATOM 633 OE1 GLU A 43 -8.042 -6.145 15.858 1.00 0.00 O ATOM 634 OE2 GLU A 43 -9.154 -5.136 17.463 1.00 0.00 O ATOM 0 H GLU A 43 -8.456 -3.929 12.699 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.617 -6.200 13.869 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.396 -3.261 13.995 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.003 -4.497 15.079 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.059 -3.820 14.777 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.104 -3.102 15.987 1.00 0.00 H new ATOM 641 N GLU A 44 -11.681 -4.474 11.932 1.00 0.00 N ATOM 642 CA GLU A 44 -12.909 -4.574 11.152 1.00 0.00 C ATOM 643 C GLU A 44 -12.877 -5.797 10.240 1.00 0.00 C ATOM 644 O GLU A 44 -13.875 -6.502 10.092 1.00 0.00 O ATOM 645 CB GLU A 44 -13.115 -3.307 10.319 1.00 0.00 C ATOM 646 CG GLU A 44 -13.906 -2.227 11.038 1.00 0.00 C ATOM 647 CD GLU A 44 -13.026 -1.314 11.868 1.00 0.00 C ATOM 648 OE1 GLU A 44 -11.994 -0.847 11.341 1.00 0.00 O ATOM 649 OE2 GLU A 44 -13.367 -1.066 13.043 1.00 0.00 O ATOM 0 H GLU A 44 -11.233 -3.558 11.899 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.742 -4.683 11.846 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.142 -2.906 10.037 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.631 -3.570 9.396 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.451 -1.632 10.305 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -14.649 -2.695 11.684 1.00 0.00 H new ATOM 656 N PHE A 45 -11.722 -6.041 9.630 1.00 0.00 N ATOM 657 CA PHE A 45 -11.558 -7.178 8.731 1.00 0.00 C ATOM 658 C PHE A 45 -10.249 -7.910 9.012 1.00 0.00 C ATOM 659 O PHE A 45 -9.188 -7.559 8.495 1.00 0.00 O ATOM 660 CB PHE A 45 -11.591 -6.711 7.274 1.00 0.00 C ATOM 661 CG PHE A 45 -12.641 -5.672 7.001 1.00 0.00 C ATOM 662 CD1 PHE A 45 -12.389 -4.332 7.248 1.00 0.00 C ATOM 663 CD2 PHE A 45 -13.880 -6.035 6.499 1.00 0.00 C ATOM 664 CE1 PHE A 45 -13.352 -3.373 6.998 1.00 0.00 C ATOM 665 CE2 PHE A 45 -14.847 -5.080 6.246 1.00 0.00 C ATOM 666 CZ PHE A 45 -14.583 -3.748 6.497 1.00 0.00 C ATOM 0 H PHE A 45 -10.886 -5.467 9.742 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.384 -7.868 8.904 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.614 -6.307 7.008 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.767 -7.572 6.629 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -11.428 -4.033 7.641 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -14.093 -7.076 6.303 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -13.142 -2.332 7.194 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.808 -5.375 5.852 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.338 -3.001 6.302 1.00 0.00 H new ATOM 676 N PRO A 46 -10.324 -8.952 9.853 1.00 0.00 N ATOM 677 CA PRO A 46 -9.155 -9.756 10.222 1.00 0.00 C ATOM 678 C PRO A 46 -8.643 -10.603 9.062 1.00 0.00 C ATOM 679 O PRO A 46 -7.436 -10.716 8.849 1.00 0.00 O ATOM 680 CB PRO A 46 -9.682 -10.652 11.346 1.00 0.00 C ATOM 681 CG PRO A 46 -11.148 -10.748 11.098 1.00 0.00 C ATOM 682 CD PRO A 46 -11.555 -9.427 10.506 1.00 0.00 C ATOM 0 HA PRO A 46 -8.309 -9.134 10.514 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.211 -11.635 11.322 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.474 -10.222 12.326 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.376 -11.568 10.417 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.689 -10.944 12.024 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.370 -9.541 9.792 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -11.897 -8.732 11.272 1.00 0.00 H new ATOM 690 N ASP A 47 -9.568 -11.195 8.315 1.00 0.00 N ATOM 691 CA ASP A 47 -9.210 -12.031 7.175 1.00 0.00 C ATOM 692 C ASP A 47 -8.845 -11.174 5.966 1.00 0.00 C ATOM 693 O ASP A 47 -9.686 -10.456 5.425 1.00 0.00 O ATOM 694 CB ASP A 47 -10.364 -12.969 6.820 1.00 0.00 C ATOM 695 CG ASP A 47 -10.938 -13.667 8.037 1.00 0.00 C ATOM 696 OD1 ASP A 47 -10.191 -13.854 9.020 1.00 0.00 O ATOM 697 OD2 ASP A 47 -12.133 -14.028 8.007 1.00 0.00 O ATOM 0 H ASP A 47 -10.571 -11.112 8.478 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.340 -12.627 7.452 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.152 -12.400 6.326 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.015 -13.716 6.107 1.00 0.00 H new ATOM 702 N TRP A 48 -7.586 -11.253 5.550 1.00 0.00 N ATOM 703 CA TRP A 48 -7.110 -10.483 4.406 1.00 0.00 C ATOM 704 C TRP A 48 -8.079 -10.593 3.234 1.00 0.00 C ATOM 705 O TRP A 48 -8.597 -9.588 2.746 1.00 0.00 O ATOM 706 CB TRP A 48 -5.722 -10.966 3.983 1.00 0.00 C ATOM 707 CG TRP A 48 -5.249 -10.359 2.697 1.00 0.00 C ATOM 708 CD1 TRP A 48 -4.911 -11.024 1.552 1.00 0.00 C ATOM 709 CD2 TRP A 48 -5.059 -8.967 2.425 1.00 0.00 C ATOM 710 NE1 TRP A 48 -4.523 -10.128 0.585 1.00 0.00 N ATOM 711 CE2 TRP A 48 -4.606 -8.860 1.095 1.00 0.00 C ATOM 712 CE3 TRP A 48 -5.230 -7.799 3.174 1.00 0.00 C ATOM 713 CZ2 TRP A 48 -4.321 -7.632 0.503 1.00 0.00 C ATOM 714 CZ3 TRP A 48 -4.947 -6.582 2.584 1.00 0.00 C ATOM 715 CH2 TRP A 48 -4.497 -6.506 1.259 1.00 0.00 C ATOM 0 H TRP A 48 -6.877 -11.842 5.987 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.048 -9.436 4.704 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.007 -10.731 4.772 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.738 -12.051 3.880 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.944 -12.096 1.426 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.222 -10.369 -0.359 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.577 -7.847 4.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -3.973 -7.571 -0.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -5.075 -5.674 3.154 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -4.285 -5.539 0.826 1.00 0.00 H new ATOM 726 N THR A 49 -8.322 -11.821 2.786 1.00 0.00 N ATOM 727 CA THR A 49 -9.229 -12.062 1.670 1.00 0.00 C ATOM 728 C THR A 49 -10.462 -11.170 1.762 1.00 0.00 C ATOM 729 O THR A 49 -11.046 -10.794 0.745 1.00 0.00 O ATOM 730 CB THR A 49 -9.677 -13.535 1.619 1.00 0.00 C ATOM 731 OG1 THR A 49 -8.599 -14.389 2.015 1.00 0.00 O ATOM 732 CG2 THR A 49 -10.140 -13.911 0.219 1.00 0.00 C ATOM 0 H THR A 49 -7.903 -12.664 3.179 1.00 0.00 H new ATOM 0 HA THR A 49 -8.680 -11.825 0.759 1.00 0.00 H new ATOM 0 HB THR A 49 -10.512 -13.662 2.308 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.893 -15.323 1.981 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.452 -14.955 0.207 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.980 -13.278 -0.069 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.321 -13.769 -0.486 1.00 0.00 H new ATOM 740 N THR A 50 -10.854 -10.834 2.987 1.00 0.00 N ATOM 741 CA THR A 50 -12.018 -9.986 3.211 1.00 0.00 C ATOM 742 C THR A 50 -11.614 -8.522 3.347 1.00 0.00 C ATOM 743 O THR A 50 -12.345 -7.625 2.927 1.00 0.00 O ATOM 744 CB THR A 50 -12.790 -10.414 4.473 1.00 0.00 C ATOM 745 OG1 THR A 50 -13.250 -11.763 4.332 1.00 0.00 O ATOM 746 CG2 THR A 50 -13.974 -9.492 4.722 1.00 0.00 C ATOM 0 H THR A 50 -10.382 -11.136 3.839 1.00 0.00 H new ATOM 0 HA THR A 50 -12.665 -10.102 2.342 1.00 0.00 H new ATOM 0 HB THR A 50 -12.114 -10.349 5.325 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.738 -12.028 5.139 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.504 -9.814 5.618 1.00 0.00 H new ATOM 0 HG22 THR A 50 -13.618 -8.471 4.858 1.00 0.00 H new ATOM 0 HG23 THR A 50 -14.650 -9.529 3.868 1.00 0.00 H new ATOM 754 N ARG A 51 -10.447 -8.288 3.937 1.00 0.00 N ATOM 755 CA ARG A 51 -9.946 -6.932 4.129 1.00 0.00 C ATOM 756 C ARG A 51 -9.589 -6.290 2.792 1.00 0.00 C ATOM 757 O ARG A 51 -10.051 -5.194 2.474 1.00 0.00 O ATOM 758 CB ARG A 51 -8.722 -6.943 5.046 1.00 0.00 C ATOM 759 CG ARG A 51 -8.131 -5.564 5.289 1.00 0.00 C ATOM 760 CD ARG A 51 -7.103 -5.587 6.409 1.00 0.00 C ATOM 761 NE ARG A 51 -5.772 -5.941 5.923 1.00 0.00 N ATOM 762 CZ ARG A 51 -4.807 -6.416 6.703 1.00 0.00 C ATOM 763 NH1 ARG A 51 -5.025 -6.595 7.999 1.00 0.00 N ATOM 764 NH2 ARG A 51 -3.622 -6.715 6.187 1.00 0.00 N ATOM 0 H ARG A 51 -9.830 -9.020 4.291 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.735 -6.342 4.596 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.000 -7.384 6.003 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.957 -7.585 4.609 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.665 -5.201 4.373 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.928 -4.864 5.540 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.066 -4.608 6.887 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.413 -6.302 7.171 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.572 -5.817 4.930 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.935 -6.368 8.399 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.282 -6.960 8.595 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.451 -6.580 5.191 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.882 -7.080 6.787 1.00 0.00 H new ATOM 778 N VAL A 52 -8.761 -6.979 2.013 1.00 0.00 N ATOM 779 CA VAL A 52 -8.342 -6.477 0.710 1.00 0.00 C ATOM 780 C VAL A 52 -9.533 -5.961 -0.090 1.00 0.00 C ATOM 781 O VAL A 52 -9.462 -4.906 -0.721 1.00 0.00 O ATOM 782 CB VAL A 52 -7.622 -7.567 -0.107 1.00 0.00 C ATOM 783 CG1 VAL A 52 -8.558 -8.735 -0.379 1.00 0.00 C ATOM 784 CG2 VAL A 52 -7.084 -6.990 -1.407 1.00 0.00 C ATOM 0 H VAL A 52 -8.367 -7.886 2.262 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.650 -5.656 0.896 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.778 -7.936 0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.033 -9.495 -0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.890 -9.163 0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.423 -8.385 -0.942 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.579 -7.774 -1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.909 -6.592 -1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.378 -6.190 -1.185 1.00 0.00 H new ATOM 794 N LYS A 53 -10.628 -6.713 -0.060 1.00 0.00 N ATOM 795 CA LYS A 53 -11.838 -6.332 -0.780 1.00 0.00 C ATOM 796 C LYS A 53 -12.300 -4.938 -0.369 1.00 0.00 C ATOM 797 O LYS A 53 -12.804 -4.174 -1.192 1.00 0.00 O ATOM 798 CB LYS A 53 -12.952 -7.348 -0.520 1.00 0.00 C ATOM 799 CG LYS A 53 -12.661 -8.728 -1.084 1.00 0.00 C ATOM 800 CD LYS A 53 -13.629 -9.767 -0.543 1.00 0.00 C ATOM 801 CE LYS A 53 -13.535 -11.073 -1.318 1.00 0.00 C ATOM 802 NZ LYS A 53 -14.435 -11.080 -2.504 1.00 0.00 N ATOM 0 H LYS A 53 -10.703 -7.590 0.455 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.608 -6.319 -1.845 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.113 -7.431 0.555 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.880 -6.976 -0.954 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.727 -8.699 -2.172 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.640 -9.016 -0.835 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.416 -9.951 0.510 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.647 -9.382 -0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.506 -11.230 -1.642 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.793 -11.904 -0.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.342 -11.986 -3.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.420 -10.956 -2.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.173 -10.303 -3.143 1.00 0.00 H new ATOM 816 N GLN A 54 -12.123 -4.613 0.908 1.00 0.00 N ATOM 817 CA GLN A 54 -12.522 -3.310 1.427 1.00 0.00 C ATOM 818 C GLN A 54 -11.655 -2.202 0.839 1.00 0.00 C ATOM 819 O GLN A 54 -12.154 -1.307 0.155 1.00 0.00 O ATOM 820 CB GLN A 54 -12.426 -3.295 2.953 1.00 0.00 C ATOM 821 CG GLN A 54 -13.203 -4.416 3.623 1.00 0.00 C ATOM 822 CD GLN A 54 -14.703 -4.196 3.576 1.00 0.00 C ATOM 823 OE1 GLN A 54 -15.147 -3.042 4.058 1.00 0.00 O flip ATOM 824 NE2 GLN A 54 -15.453 -5.055 3.111 1.00 0.00 N flip ATOM 0 H GLN A 54 -11.706 -5.234 1.602 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.556 -3.130 1.134 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.378 -3.367 3.243 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.794 -2.338 3.322 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -12.963 -5.361 3.136 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -12.885 -4.503 4.662 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -15.067 -5.928 2.751 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.460 -4.893 3.086 1.00 0.00 H new ATOM 833 N ILE A 55 -10.356 -2.267 1.110 1.00 0.00 N ATOM 834 CA ILE A 55 -9.420 -1.269 0.608 1.00 0.00 C ATOM 835 C ILE A 55 -9.792 -0.828 -0.804 1.00 0.00 C ATOM 836 O ILE A 55 -9.606 0.331 -1.172 1.00 0.00 O ATOM 837 CB ILE A 55 -7.976 -1.804 0.603 1.00 0.00 C ATOM 838 CG1 ILE A 55 -7.541 -2.174 2.022 1.00 0.00 C ATOM 839 CG2 ILE A 55 -7.031 -0.772 0.005 1.00 0.00 C ATOM 840 CD1 ILE A 55 -6.342 -3.096 2.065 1.00 0.00 C ATOM 0 H ILE A 55 -9.928 -3.001 1.675 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.479 -0.414 1.281 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.939 -2.702 -0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.308 -1.262 2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.375 -2.651 2.536 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.014 -1.165 0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.332 -0.553 -1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.069 0.142 0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.089 -3.316 3.102 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.578 -4.024 1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.494 -2.613 1.580 1.00 0.00 H new ATOM 852 N ALA A 56 -10.320 -1.761 -1.589 1.00 0.00 N ATOM 853 CA ALA A 56 -10.723 -1.468 -2.959 1.00 0.00 C ATOM 854 C ALA A 56 -11.876 -0.470 -2.991 1.00 0.00 C ATOM 855 O ALA A 56 -11.741 0.634 -3.520 1.00 0.00 O ATOM 856 CB ALA A 56 -11.111 -2.750 -3.681 1.00 0.00 C ATOM 0 H ALA A 56 -10.479 -2.726 -1.300 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.874 -1.018 -3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.410 -2.516 -4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.259 -3.430 -3.699 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.943 -3.224 -3.159 1.00 0.00 H new ATOM 862 N LYS A 57 -13.010 -0.865 -2.423 1.00 0.00 N ATOM 863 CA LYS A 57 -14.187 -0.006 -2.385 1.00 0.00 C ATOM 864 C LYS A 57 -13.848 1.356 -1.789 1.00 0.00 C ATOM 865 O LYS A 57 -14.161 2.396 -2.370 1.00 0.00 O ATOM 866 CB LYS A 57 -15.301 -0.668 -1.571 1.00 0.00 C ATOM 867 CG LYS A 57 -15.265 -0.318 -0.094 1.00 0.00 C ATOM 868 CD LYS A 57 -16.454 -0.906 0.648 1.00 0.00 C ATOM 869 CE LYS A 57 -16.215 -2.361 1.019 1.00 0.00 C ATOM 870 NZ LYS A 57 -17.487 -3.131 1.095 1.00 0.00 N ATOM 0 H LYS A 57 -13.139 -1.776 -1.982 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.532 0.141 -3.409 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.266 -0.371 -1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.226 -1.750 -1.681 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.340 -0.690 0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.261 0.766 0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.644 -0.326 1.551 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.346 -0.830 0.026 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.556 -2.820 0.282 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.702 -2.411 1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.281 -4.118 1.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.106 -2.709 1.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.964 -3.105 0.171 1.00 0.00 H new ATOM 884 N LEU A 58 -13.205 1.344 -0.626 1.00 0.00 N ATOM 885 CA LEU A 58 -12.821 2.579 0.049 1.00 0.00 C ATOM 886 C LEU A 58 -11.993 3.469 -0.873 1.00 0.00 C ATOM 887 O LEU A 58 -12.244 4.668 -0.984 1.00 0.00 O ATOM 888 CB LEU A 58 -12.029 2.265 1.319 1.00 0.00 C ATOM 889 CG LEU A 58 -12.676 1.269 2.283 1.00 0.00 C ATOM 890 CD1 LEU A 58 -11.683 0.839 3.352 1.00 0.00 C ATOM 891 CD2 LEU A 58 -13.919 1.873 2.920 1.00 0.00 C ATOM 0 H LEU A 58 -12.939 0.493 -0.131 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.731 3.114 0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.053 1.877 1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.855 3.198 1.855 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.975 0.387 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.161 0.131 4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.822 0.366 2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.353 1.712 3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.366 1.150 3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.645 2.772 3.472 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.638 2.130 2.142 1.00 0.00 H new ATOM 903 N TRP A 59 -11.006 2.872 -1.532 1.00 0.00 N ATOM 904 CA TRP A 59 -10.142 3.610 -2.446 1.00 0.00 C ATOM 905 C TRP A 59 -10.941 4.172 -3.617 1.00 0.00 C ATOM 906 O TRP A 59 -10.743 5.317 -4.023 1.00 0.00 O ATOM 907 CB TRP A 59 -9.022 2.706 -2.964 1.00 0.00 C ATOM 908 CG TRP A 59 -8.140 3.373 -3.976 1.00 0.00 C ATOM 909 CD1 TRP A 59 -8.155 3.183 -5.329 1.00 0.00 C ATOM 910 CD2 TRP A 59 -7.113 4.336 -3.716 1.00 0.00 C ATOM 911 NE1 TRP A 59 -7.199 3.970 -5.924 1.00 0.00 N ATOM 912 CE2 TRP A 59 -6.547 4.687 -4.957 1.00 0.00 C ATOM 913 CE3 TRP A 59 -6.618 4.937 -2.555 1.00 0.00 C ATOM 914 CZ2 TRP A 59 -5.510 5.610 -5.067 1.00 0.00 C ATOM 915 CZ3 TRP A 59 -5.589 5.853 -2.667 1.00 0.00 C ATOM 916 CH2 TRP A 59 -5.045 6.183 -3.915 1.00 0.00 C ATOM 0 H TRP A 59 -10.784 1.880 -1.450 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.703 4.443 -1.897 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -8.413 2.376 -2.123 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -9.462 1.813 -3.408 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -8.820 2.513 -5.853 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.006 4.013 -6.925 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.032 4.690 -1.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -5.088 5.865 -6.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.197 6.323 -1.777 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.243 6.904 -3.969 1.00 0.00 H new ATOM 927 N ARG A 60 -11.845 3.359 -4.155 1.00 0.00 N ATOM 928 CA ARG A 60 -12.673 3.776 -5.280 1.00 0.00 C ATOM 929 C ARG A 60 -13.565 4.952 -4.892 1.00 0.00 C ATOM 930 O ARG A 60 -13.766 5.878 -5.678 1.00 0.00 O ATOM 931 CB ARG A 60 -13.533 2.609 -5.768 1.00 0.00 C ATOM 932 CG ARG A 60 -12.733 1.492 -6.418 1.00 0.00 C ATOM 933 CD ARG A 60 -13.629 0.553 -7.209 1.00 0.00 C ATOM 934 NE ARG A 60 -12.874 -0.234 -8.181 1.00 0.00 N ATOM 935 CZ ARG A 60 -12.532 0.215 -9.384 1.00 0.00 C ATOM 936 NH1 ARG A 60 -12.875 1.439 -9.760 1.00 0.00 N ATOM 937 NH2 ARG A 60 -11.844 -0.561 -10.212 1.00 0.00 N ATOM 0 H ARG A 60 -12.022 2.409 -3.830 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.013 4.094 -6.087 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -14.090 2.202 -4.924 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -14.266 2.983 -6.483 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.979 1.920 -7.079 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.202 0.929 -5.650 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.147 -0.118 -6.523 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.394 1.132 -7.727 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.594 -1.180 -7.922 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.403 2.038 -9.125 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.611 1.781 -10.684 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.577 -1.503 -9.925 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.582 -0.216 -11.135 1.00 0.00 H new ATOM 951 N LYS A 61 -14.098 4.908 -3.676 1.00 0.00 N ATOM 952 CA LYS A 61 -14.968 5.968 -3.182 1.00 0.00 C ATOM 953 C LYS A 61 -14.265 7.321 -3.242 1.00 0.00 C ATOM 954 O LYS A 61 -14.856 8.320 -3.650 1.00 0.00 O ATOM 955 CB LYS A 61 -15.404 5.671 -1.746 1.00 0.00 C ATOM 956 CG LYS A 61 -16.181 6.805 -1.099 1.00 0.00 C ATOM 957 CD LYS A 61 -16.139 6.716 0.417 1.00 0.00 C ATOM 958 CE LYS A 61 -17.160 5.721 0.946 1.00 0.00 C ATOM 959 NZ LYS A 61 -17.597 6.056 2.329 1.00 0.00 N ATOM 0 H LYS A 61 -13.942 4.148 -3.014 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.850 6.008 -3.822 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -16.019 4.771 -1.741 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.521 5.457 -1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -15.766 7.761 -1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -17.217 6.777 -1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -15.140 6.419 0.737 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -16.332 7.699 0.846 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -18.027 5.705 0.285 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.731 4.719 0.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -18.293 5.354 2.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.774 6.047 2.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -18.030 7.002 2.337 1.00 0.00 H new ATOM 973 N ALA A 62 -13.000 7.344 -2.836 1.00 0.00 N ATOM 974 CA ALA A 62 -12.216 8.572 -2.847 1.00 0.00 C ATOM 975 C ALA A 62 -12.067 9.115 -4.264 1.00 0.00 C ATOM 976 O ALA A 62 -11.967 8.352 -5.224 1.00 0.00 O ATOM 977 CB ALA A 62 -10.848 8.331 -2.225 1.00 0.00 C ATOM 0 H ALA A 62 -12.496 6.525 -2.495 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.746 9.318 -2.254 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.273 9.257 -2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.971 7.997 -1.195 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.319 7.566 -2.794 1.00 0.00 H new ATOM 983 N SER A 63 -12.053 10.439 -4.387 1.00 0.00 N ATOM 984 CA SER A 63 -11.921 11.084 -5.688 1.00 0.00 C ATOM 985 C SER A 63 -10.452 11.279 -6.051 1.00 0.00 C ATOM 986 O SER A 63 -9.592 11.372 -5.175 1.00 0.00 O ATOM 987 CB SER A 63 -12.641 12.434 -5.687 1.00 0.00 C ATOM 988 OG SER A 63 -13.973 12.301 -5.223 1.00 0.00 O ATOM 0 H SER A 63 -12.131 11.085 -3.602 1.00 0.00 H new ATOM 0 HA SER A 63 -12.379 10.436 -6.435 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.101 13.137 -5.054 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.643 12.849 -6.695 1.00 0.00 H new ATOM 0 HG SER A 63 -14.411 13.178 -5.230 1.00 0.00 H new ATOM 994 N SER A 64 -10.172 11.339 -7.349 1.00 0.00 N ATOM 995 CA SER A 64 -8.807 11.519 -7.829 1.00 0.00 C ATOM 996 C SER A 64 -8.079 12.581 -7.010 1.00 0.00 C ATOM 997 O SER A 64 -7.000 12.332 -6.473 1.00 0.00 O ATOM 998 CB SER A 64 -8.812 11.914 -9.307 1.00 0.00 C ATOM 999 OG SER A 64 -9.765 11.158 -10.034 1.00 0.00 O ATOM 0 H SER A 64 -10.872 11.266 -8.087 1.00 0.00 H new ATOM 0 HA SER A 64 -8.280 10.572 -7.715 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.037 12.976 -9.402 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.820 11.759 -9.731 1.00 0.00 H new ATOM 0 HG SER A 64 -9.750 11.431 -10.975 1.00 0.00 H new ATOM 1005 N GLN A 65 -8.677 13.764 -6.920 1.00 0.00 N ATOM 1006 CA GLN A 65 -8.085 14.864 -6.168 1.00 0.00 C ATOM 1007 C GLN A 65 -7.676 14.409 -4.771 1.00 0.00 C ATOM 1008 O GLN A 65 -6.723 14.931 -4.193 1.00 0.00 O ATOM 1009 CB GLN A 65 -9.069 16.030 -6.069 1.00 0.00 C ATOM 1010 CG GLN A 65 -10.373 15.670 -5.375 1.00 0.00 C ATOM 1011 CD GLN A 65 -11.526 16.557 -5.801 1.00 0.00 C ATOM 1012 OE1 GLN A 65 -11.829 17.556 -5.148 1.00 0.00 O ATOM 1013 NE2 GLN A 65 -12.176 16.197 -6.901 1.00 0.00 N ATOM 0 H GLN A 65 -9.571 13.986 -7.358 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.193 15.195 -6.699 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.595 16.850 -5.530 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.290 16.394 -7.072 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.620 14.631 -5.591 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.239 15.748 -4.296 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.891 15.361 -7.411 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -12.961 16.756 -7.236 1.00 0.00 H new ATOM 1022 N GLU A 66 -8.402 13.433 -4.234 1.00 0.00 N ATOM 1023 CA GLU A 66 -8.114 12.910 -2.904 1.00 0.00 C ATOM 1024 C GLU A 66 -6.933 11.945 -2.943 1.00 0.00 C ATOM 1025 O GLU A 66 -6.116 11.910 -2.023 1.00 0.00 O ATOM 1026 CB GLU A 66 -9.345 12.204 -2.332 1.00 0.00 C ATOM 1027 CG GLU A 66 -9.170 11.744 -0.895 1.00 0.00 C ATOM 1028 CD GLU A 66 -9.206 12.892 0.095 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -8.460 13.873 -0.108 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -9.980 12.810 1.071 1.00 0.00 O ATOM 0 H GLU A 66 -9.193 12.989 -4.700 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.854 13.750 -2.260 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.199 12.879 -2.387 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.580 11.341 -2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.957 11.031 -0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.221 11.217 -0.800 1.00 0.00 H new ATOM 1037 N ARG A 67 -6.851 11.162 -4.014 1.00 0.00 N ATOM 1038 CA ARG A 67 -5.772 10.195 -4.173 1.00 0.00 C ATOM 1039 C ARG A 67 -4.497 10.878 -4.659 1.00 0.00 C ATOM 1040 O ARG A 67 -3.414 10.294 -4.618 1.00 0.00 O ATOM 1041 CB ARG A 67 -6.183 9.098 -5.157 1.00 0.00 C ATOM 1042 CG ARG A 67 -7.604 8.598 -4.955 1.00 0.00 C ATOM 1043 CD ARG A 67 -8.157 7.964 -6.221 1.00 0.00 C ATOM 1044 NE ARG A 67 -9.414 7.261 -5.977 1.00 0.00 N ATOM 1045 CZ ARG A 67 -10.225 6.848 -6.944 1.00 0.00 C ATOM 1046 NH1 ARG A 67 -9.912 7.065 -8.214 1.00 0.00 N ATOM 1047 NH2 ARG A 67 -11.351 6.215 -6.642 1.00 0.00 N ATOM 0 H ARG A 67 -7.519 11.179 -4.784 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.574 9.745 -3.200 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.082 9.478 -6.174 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.495 8.259 -5.060 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.623 7.870 -4.144 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.243 9.428 -4.653 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.314 8.736 -6.974 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.424 7.266 -6.627 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.684 7.077 -5.011 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.046 7.550 -8.450 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.537 6.747 -8.955 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.595 6.045 -5.666 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.973 5.898 -7.386 1.00 0.00 H new ATOM 1061 N ALA A 68 -4.634 12.117 -5.118 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.493 12.880 -5.610 1.00 0.00 C ATOM 1063 C ALA A 68 -2.249 12.608 -4.773 1.00 0.00 C ATOM 1064 O ALA A 68 -1.219 12.156 -5.275 1.00 0.00 O ATOM 1065 CB ALA A 68 -3.815 14.367 -5.613 1.00 0.00 C ATOM 0 H ALA A 68 -5.524 12.614 -5.160 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.288 12.562 -6.632 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.955 14.925 -5.983 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.673 14.552 -6.260 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.049 14.691 -4.599 1.00 0.00 H new ATOM 1071 N PRO A 69 -2.342 12.889 -3.464 1.00 0.00 N ATOM 1072 CA PRO A 69 -1.232 12.682 -2.530 1.00 0.00 C ATOM 1073 C PRO A 69 -0.942 11.204 -2.292 1.00 0.00 C ATOM 1074 O PRO A 69 0.200 10.758 -2.411 1.00 0.00 O ATOM 1075 CB PRO A 69 -1.725 13.344 -1.241 1.00 0.00 C ATOM 1076 CG PRO A 69 -3.211 13.296 -1.335 1.00 0.00 C ATOM 1077 CD PRO A 69 -3.538 13.429 -2.797 1.00 0.00 C ATOM 0 HA PRO A 69 -0.298 13.097 -2.909 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.367 12.811 -0.360 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -1.366 14.370 -1.161 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.597 12.360 -0.932 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.665 14.102 -0.759 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.434 12.867 -3.061 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.719 14.467 -3.075 1.00 0.00 H new ATOM 1085 N TYR A 70 -1.981 10.449 -1.956 1.00 0.00 N ATOM 1086 CA TYR A 70 -1.838 9.020 -1.699 1.00 0.00 C ATOM 1087 C TYR A 70 -1.281 8.300 -2.924 1.00 0.00 C ATOM 1088 O TYR A 70 -0.788 7.177 -2.827 1.00 0.00 O ATOM 1089 CB TYR A 70 -3.185 8.413 -1.305 1.00 0.00 C ATOM 1090 CG TYR A 70 -3.822 9.079 -0.106 1.00 0.00 C ATOM 1091 CD1 TYR A 70 -3.289 8.919 1.167 1.00 0.00 C ATOM 1092 CD2 TYR A 70 -4.957 9.868 -0.246 1.00 0.00 C ATOM 1093 CE1 TYR A 70 -3.867 9.525 2.265 1.00 0.00 C ATOM 1094 CE2 TYR A 70 -5.541 10.479 0.846 1.00 0.00 C ATOM 1095 CZ TYR A 70 -4.993 10.304 2.100 1.00 0.00 C ATOM 1096 OH TYR A 70 -5.573 10.910 3.191 1.00 0.00 O ATOM 0 H TYR A 70 -2.933 10.802 -1.855 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.136 8.893 -0.875 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.867 8.481 -2.153 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -3.048 7.353 -1.091 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.407 8.310 1.300 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.390 10.006 -1.226 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.440 9.390 3.248 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.422 11.091 0.719 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.356 11.423 2.902 1.00 0.00 H new ATOM 1106 N VAL A 71 -1.364 8.957 -4.077 1.00 0.00 N ATOM 1107 CA VAL A 71 -0.868 8.382 -5.321 1.00 0.00 C ATOM 1108 C VAL A 71 0.623 8.647 -5.493 1.00 0.00 C ATOM 1109 O VAL A 71 1.360 7.798 -5.993 1.00 0.00 O ATOM 1110 CB VAL A 71 -1.623 8.946 -6.540 1.00 0.00 C ATOM 1111 CG1 VAL A 71 -0.968 8.486 -7.834 1.00 0.00 C ATOM 1112 CG2 VAL A 71 -3.087 8.533 -6.498 1.00 0.00 C ATOM 0 H VAL A 71 -1.770 9.888 -4.175 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.038 7.307 -5.263 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.575 10.034 -6.503 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.515 8.894 -8.684 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.064 8.837 -7.864 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.983 7.397 -7.882 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.605 8.940 -7.366 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.159 7.445 -6.510 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.547 8.917 -5.588 1.00 0.00 H new ATOM 1122 N GLN A 72 1.060 9.831 -5.075 1.00 0.00 N ATOM 1123 CA GLN A 72 2.464 10.208 -5.183 1.00 0.00 C ATOM 1124 C GLN A 72 3.283 9.588 -4.056 1.00 0.00 C ATOM 1125 O GLN A 72 4.326 8.980 -4.294 1.00 0.00 O ATOM 1126 CB GLN A 72 2.609 11.731 -5.157 1.00 0.00 C ATOM 1127 CG GLN A 72 4.020 12.202 -4.848 1.00 0.00 C ATOM 1128 CD GLN A 72 4.978 11.972 -6.001 1.00 0.00 C ATOM 1129 OE1 GLN A 72 5.314 12.899 -6.738 1.00 0.00 O ATOM 1130 NE2 GLN A 72 5.423 10.732 -6.162 1.00 0.00 N ATOM 0 H GLN A 72 0.462 10.545 -4.659 1.00 0.00 H new ATOM 0 HA GLN A 72 2.843 9.830 -6.133 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.304 12.133 -6.123 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.927 12.140 -4.412 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.999 13.264 -4.604 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.388 11.680 -3.965 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.118 9.994 -5.527 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.070 10.517 -6.921 1.00 0.00 H new ATOM 1139 N LYS A 73 2.803 9.746 -2.827 1.00 0.00 N ATOM 1140 CA LYS A 73 3.489 9.202 -1.661 1.00 0.00 C ATOM 1141 C LYS A 73 3.870 7.742 -1.887 1.00 0.00 C ATOM 1142 O LYS A 73 5.006 7.342 -1.634 1.00 0.00 O ATOM 1143 CB LYS A 73 2.602 9.323 -0.420 1.00 0.00 C ATOM 1144 CG LYS A 73 3.323 8.994 0.876 1.00 0.00 C ATOM 1145 CD LYS A 73 2.548 9.489 2.086 1.00 0.00 C ATOM 1146 CE LYS A 73 3.251 9.128 3.385 1.00 0.00 C ATOM 1147 NZ LYS A 73 4.366 10.067 3.692 1.00 0.00 N ATOM 0 H LYS A 73 1.941 10.247 -2.613 1.00 0.00 H new ATOM 0 HA LYS A 73 4.401 9.777 -1.505 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.211 10.339 -0.361 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.746 8.657 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.466 7.916 0.950 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.314 9.447 0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.428 10.571 2.025 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.548 9.056 2.080 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.531 9.140 4.203 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.640 8.112 3.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.820 9.787 4.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.066 10.037 2.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.991 11.033 3.782 1.00 0.00 H new ATOM 1161 N ALA A 74 2.914 6.953 -2.365 1.00 0.00 N ATOM 1162 CA ALA A 74 3.152 5.539 -2.628 1.00 0.00 C ATOM 1163 C ALA A 74 4.397 5.342 -3.485 1.00 0.00 C ATOM 1164 O ALA A 74 5.168 4.405 -3.271 1.00 0.00 O ATOM 1165 CB ALA A 74 1.939 4.917 -3.305 1.00 0.00 C ATOM 0 H ALA A 74 1.968 7.269 -2.578 1.00 0.00 H new ATOM 0 HA ALA A 74 3.318 5.040 -1.673 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.130 3.861 -3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.069 5.017 -2.656 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.748 5.427 -4.249 1.00 0.00 H new ATOM 1171 N ARG A 75 4.589 6.229 -4.456 1.00 0.00 N ATOM 1172 CA ARG A 75 5.740 6.150 -5.347 1.00 0.00 C ATOM 1173 C ARG A 75 7.026 6.506 -4.606 1.00 0.00 C ATOM 1174 O ARG A 75 8.033 5.806 -4.718 1.00 0.00 O ATOM 1175 CB ARG A 75 5.552 7.087 -6.542 1.00 0.00 C ATOM 1176 CG ARG A 75 4.296 6.801 -7.348 1.00 0.00 C ATOM 1177 CD ARG A 75 3.901 7.993 -8.206 1.00 0.00 C ATOM 1178 NE ARG A 75 4.638 8.029 -9.466 1.00 0.00 N ATOM 1179 CZ ARG A 75 4.356 8.865 -10.459 1.00 0.00 C ATOM 1180 NH1 ARG A 75 3.358 9.730 -10.338 1.00 0.00 N ATOM 1181 NH2 ARG A 75 5.072 8.838 -11.575 1.00 0.00 N ATOM 0 H ARG A 75 3.962 7.011 -4.646 1.00 0.00 H new ATOM 0 HA ARG A 75 5.820 5.124 -5.707 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.517 8.116 -6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.420 7.006 -7.196 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.461 5.932 -7.985 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.478 6.551 -6.672 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.832 7.952 -8.413 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.084 8.914 -7.653 1.00 0.00 H new ATOM 0 HE ARG A 75 5.412 7.376 -9.591 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.805 9.754 -9.481 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.143 10.371 -11.102 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.841 8.175 -11.672 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.854 9.481 -12.336 1.00 0.00 H new ATOM 1195 N ASP A 76 6.984 7.597 -3.849 1.00 0.00 N ATOM 1196 CA ASP A 76 8.145 8.045 -3.089 1.00 0.00 C ATOM 1197 C ASP A 76 8.558 6.997 -2.060 1.00 0.00 C ATOM 1198 O ASP A 76 9.744 6.818 -1.785 1.00 0.00 O ATOM 1199 CB ASP A 76 7.843 9.372 -2.392 1.00 0.00 C ATOM 1200 CG ASP A 76 9.093 10.196 -2.150 1.00 0.00 C ATOM 1201 OD1 ASP A 76 9.995 9.711 -1.436 1.00 0.00 O ATOM 1202 OD2 ASP A 76 9.168 11.326 -2.675 1.00 0.00 O ATOM 0 H ASP A 76 6.159 8.187 -3.745 1.00 0.00 H new ATOM 0 HA ASP A 76 8.971 8.189 -3.785 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.144 9.947 -2.999 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.351 9.175 -1.440 1.00 0.00 H new ATOM 1207 N ASN A 77 7.572 6.310 -1.494 1.00 0.00 N ATOM 1208 CA ASN A 77 7.833 5.281 -0.494 1.00 0.00 C ATOM 1209 C ASN A 77 8.745 4.195 -1.056 1.00 0.00 C ATOM 1210 O ASN A 77 9.582 3.643 -0.342 1.00 0.00 O ATOM 1211 CB ASN A 77 6.519 4.662 -0.014 1.00 0.00 C ATOM 1212 CG ASN A 77 5.941 5.389 1.185 1.00 0.00 C ATOM 1213 OD1 ASN A 77 6.658 6.072 1.915 1.00 0.00 O ATOM 1214 ND2 ASN A 77 4.637 5.243 1.393 1.00 0.00 N ATOM 0 H ASN A 77 6.585 6.447 -1.710 1.00 0.00 H new ATOM 0 HA ASN A 77 8.336 5.750 0.352 1.00 0.00 H new ATOM 0 HB2 ASN A 77 5.795 4.677 -0.828 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.686 3.616 0.245 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.192 5.707 2.184 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.081 4.667 0.761 1.00 0.00 H new ATOM 1221 N ARG A 78 8.576 3.893 -2.339 1.00 0.00 N ATOM 1222 CA ARG A 78 9.383 2.873 -2.997 1.00 0.00 C ATOM 1223 C ARG A 78 10.857 3.265 -3.001 1.00 0.00 C ATOM 1224 O ARG A 78 11.736 2.414 -2.865 1.00 0.00 O ATOM 1225 CB ARG A 78 8.898 2.656 -4.432 1.00 0.00 C ATOM 1226 CG ARG A 78 7.566 1.929 -4.521 1.00 0.00 C ATOM 1227 CD ARG A 78 7.187 1.637 -5.964 1.00 0.00 C ATOM 1228 NE ARG A 78 7.124 2.853 -6.770 1.00 0.00 N ATOM 1229 CZ ARG A 78 7.270 2.869 -8.091 1.00 0.00 C ATOM 1230 NH1 ARG A 78 7.486 1.739 -8.750 1.00 0.00 N ATOM 1231 NH2 ARG A 78 7.200 4.016 -8.754 1.00 0.00 N ATOM 0 H ARG A 78 7.887 4.340 -2.944 1.00 0.00 H new ATOM 0 HA ARG A 78 9.274 1.943 -2.439 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.808 3.623 -4.926 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.650 2.087 -4.979 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.622 0.995 -3.962 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.788 2.534 -4.054 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.915 0.952 -6.398 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.220 1.134 -5.990 1.00 0.00 H new ATOM 0 HE ARG A 78 6.959 3.739 -6.293 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.540 0.855 -8.243 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.598 1.753 -9.764 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.034 4.887 -8.250 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.312 4.027 -9.768 1.00 0.00 H new ATOM 1245 N ALA A 79 11.120 4.558 -3.158 1.00 0.00 N ATOM 1246 CA ALA A 79 12.488 5.063 -3.178 1.00 0.00 C ATOM 1247 C ALA A 79 13.173 4.845 -1.834 1.00 0.00 C ATOM 1248 O ALA A 79 14.276 4.304 -1.769 1.00 0.00 O ATOM 1249 CB ALA A 79 12.500 6.539 -3.547 1.00 0.00 C ATOM 0 H ALA A 79 10.404 5.275 -3.273 1.00 0.00 H new ATOM 0 HA ALA A 79 13.044 4.507 -3.933 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.527 6.903 -3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.058 6.671 -4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.924 7.102 -2.813 1.00 0.00 H new ATOM 1255 N ALA A 80 12.512 5.271 -0.762 1.00 0.00 N ATOM 1256 CA ALA A 80 13.057 5.122 0.581 1.00 0.00 C ATOM 1257 C ALA A 80 13.725 3.762 0.755 1.00 0.00 C ATOM 1258 O ALA A 80 14.801 3.657 1.345 1.00 0.00 O ATOM 1259 CB ALA A 80 11.961 5.310 1.620 1.00 0.00 C ATOM 0 H ALA A 80 11.598 5.722 -0.798 1.00 0.00 H new ATOM 0 HA ALA A 80 13.815 5.892 0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 80 12.383 5.196 2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.531 6.307 1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.183 4.562 1.467 1.00 0.00 H new