USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 585 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 36 MET CE :methyl -162:sc= -9.03! (180deg=-9.72!) USER MOD Set 1.2: A 57 TYR OH : rot -10:sc= -1.64! USER MOD Single : A 21 SER OG : rot -92:sc= 0.13 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 33 LYS NZ :NH3+ -95:sc= 0.837 (180deg=-0.756!) USER MOD Single : A 35 HIS :FLIP no HD1:sc= -0.269 F(o=-1,f=-0.27) USER MOD Single : A 43 CYS SG : rot -16:sc= 0.636 USER MOD Single : A 44 TYR OH : rot 65:sc= 0.525 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -176:sc= -8.73! (180deg=-9.18!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 157:sc= -0.783 (180deg=-2.04!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -77:sc= 1.24 USER MOD Single : A 78 HIS :FLIP no HD1:sc= -2.82! C(o=-4.1!,f=-2.8!) USER MOD Single : A 82 THR OG1 : rot 180:sc=5.48e-05 USER MOD Single : A 83 SER OG : rot 18:sc= 0.0194 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot -100:sc= -1.25 USER MOD ----------------------------------------------------------------- ATOM 186 N PHE A 16 -7.977 9.630 -4.392 1.00 0.00 N ATOM 187 CA PHE A 16 -8.447 8.395 -3.786 1.00 0.00 C ATOM 188 C PHE A 16 -7.281 7.449 -3.493 1.00 0.00 C ATOM 189 O PHE A 16 -6.657 6.923 -4.414 1.00 0.00 O ATOM 190 CB PHE A 16 -9.386 7.731 -4.795 1.00 0.00 C ATOM 191 CG PHE A 16 -10.611 8.574 -5.154 1.00 0.00 C ATOM 192 CD1 PHE A 16 -11.194 9.363 -4.212 1.00 0.00 C ATOM 193 CD2 PHE A 16 -11.117 8.536 -6.416 1.00 0.00 C ATOM 194 CE1 PHE A 16 -12.330 10.146 -4.545 1.00 0.00 C ATOM 195 CE2 PHE A 16 -12.254 9.318 -6.750 1.00 0.00 C ATOM 196 CZ PHE A 16 -12.836 10.107 -5.807 1.00 0.00 C ATOM 0 HA PHE A 16 -8.950 8.611 -2.843 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.828 7.513 -5.706 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.721 6.776 -4.390 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -10.792 9.394 -3.210 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -10.654 7.910 -7.165 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -12.792 10.773 -3.797 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -12.656 9.286 -7.752 1.00 0.00 H new ATOM 0 HZ PHE A 16 -13.700 10.703 -6.061 1.00 0.00 H new ATOM 206 N ARG A 17 -7.021 7.262 -2.207 1.00 0.00 N ATOM 207 CA ARG A 17 -5.940 6.389 -1.782 1.00 0.00 C ATOM 208 C ARG A 17 -6.397 5.509 -0.616 1.00 0.00 C ATOM 209 O ARG A 17 -7.441 5.760 -0.016 1.00 0.00 O ATOM 210 CB ARG A 17 -4.715 7.198 -1.351 1.00 0.00 C ATOM 211 CG ARG A 17 -4.992 7.964 -0.056 1.00 0.00 C ATOM 212 CD ARG A 17 -3.997 9.112 0.125 1.00 0.00 C ATOM 213 NE ARG A 17 -3.668 9.275 1.559 1.00 0.00 N ATOM 214 CZ ARG A 17 -2.817 10.195 2.034 1.00 0.00 C ATOM 215 NH1 ARG A 17 -2.205 11.040 1.193 1.00 0.00 N ATOM 216 NH2 ARG A 17 -2.578 10.270 3.351 1.00 0.00 N ATOM 0 H ARG A 17 -7.540 7.700 -1.446 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.667 5.762 -2.631 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.866 6.530 -1.208 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.441 7.898 -2.140 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.008 8.358 -0.072 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.927 7.284 0.794 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.089 8.911 -0.444 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.421 10.037 -0.267 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.117 8.648 2.227 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.387 10.983 0.191 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.557 11.740 1.555 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.044 9.627 3.991 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.930 10.970 3.713 1.00 0.00 H new ATOM 230 N VAL A 18 -5.592 4.496 -0.331 1.00 0.00 N ATOM 231 CA VAL A 18 -5.901 3.577 0.752 1.00 0.00 C ATOM 232 C VAL A 18 -4.767 3.607 1.779 1.00 0.00 C ATOM 233 O VAL A 18 -3.598 3.470 1.422 1.00 0.00 O ATOM 234 CB VAL A 18 -6.163 2.177 0.192 1.00 0.00 C ATOM 235 CG1 VAL A 18 -7.402 2.169 -0.706 1.00 0.00 C ATOM 236 CG2 VAL A 18 -4.939 1.649 -0.559 1.00 0.00 C ATOM 0 H VAL A 18 -4.727 4.291 -0.831 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.813 3.883 1.265 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.354 1.510 1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.566 1.162 -1.091 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.272 2.483 -0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.252 2.856 -1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.152 0.653 -0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.704 2.318 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.088 1.600 0.121 1.00 0.00 H new ATOM 246 N LEU A 19 -5.153 3.788 3.033 1.00 0.00 N ATOM 247 CA LEU A 19 -4.184 3.838 4.115 1.00 0.00 C ATOM 248 C LEU A 19 -3.924 2.420 4.627 1.00 0.00 C ATOM 249 O LEU A 19 -4.853 1.725 5.037 1.00 0.00 O ATOM 250 CB LEU A 19 -4.645 4.810 5.202 1.00 0.00 C ATOM 251 CG LEU A 19 -4.576 6.297 4.846 1.00 0.00 C ATOM 252 CD1 LEU A 19 -4.742 7.168 6.093 1.00 0.00 C ATOM 253 CD2 LEU A 19 -3.286 6.620 4.089 1.00 0.00 C ATOM 0 H LEU A 19 -6.124 3.902 3.324 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.231 4.227 3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.674 4.567 5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.040 4.642 6.093 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.407 6.527 4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.689 8.220 5.812 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.709 6.964 6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.947 6.942 6.803 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.262 7.683 3.848 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.427 6.369 4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.249 6.038 3.168 1.00 0.00 H new ATOM 265 N VAL A 20 -2.658 2.033 4.587 1.00 0.00 N ATOM 266 CA VAL A 20 -2.264 0.711 5.043 1.00 0.00 C ATOM 267 C VAL A 20 -1.384 0.845 6.287 1.00 0.00 C ATOM 268 O VAL A 20 -0.477 1.675 6.323 1.00 0.00 O ATOM 269 CB VAL A 20 -1.581 -0.052 3.906 1.00 0.00 C ATOM 270 CG1 VAL A 20 -1.021 -1.387 4.401 1.00 0.00 C ATOM 271 CG2 VAL A 20 -2.539 -0.261 2.732 1.00 0.00 C ATOM 0 H VAL A 20 -1.891 2.612 4.246 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.140 0.128 5.328 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.745 0.552 3.552 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.541 -1.909 3.574 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.290 -1.205 5.189 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.833 -1.999 4.794 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.028 -0.806 1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.404 -0.833 3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.868 0.707 2.354 1.00 0.00 H new ATOM 281 N SER A 21 -1.682 0.016 7.276 1.00 0.00 N ATOM 282 CA SER A 21 -0.929 0.032 8.519 1.00 0.00 C ATOM 283 C SER A 21 -0.782 -1.391 9.060 1.00 0.00 C ATOM 284 O SER A 21 -1.773 -2.098 9.234 1.00 0.00 O ATOM 285 CB SER A 21 -1.602 0.929 9.560 1.00 0.00 C ATOM 286 OG SER A 21 -2.782 0.334 10.093 1.00 0.00 O ATOM 0 H SER A 21 -2.435 -0.671 7.242 1.00 0.00 H new ATOM 0 HA SER A 21 0.061 0.440 8.314 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.901 1.134 10.370 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.853 1.887 9.105 1.00 0.00 H new ATOM 0 HG SER A 21 -3.558 0.618 9.566 1.00 0.00 H new ATOM 292 N GLY A 22 0.463 -1.769 9.311 1.00 0.00 N ATOM 293 CA GLY A 22 0.753 -3.095 9.829 1.00 0.00 C ATOM 294 C GLY A 22 1.940 -3.723 9.097 1.00 0.00 C ATOM 295 O GLY A 22 2.408 -4.797 9.471 1.00 0.00 O ATOM 0 H GLY A 22 1.283 -1.180 9.165 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.970 -3.033 10.895 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.125 -3.732 9.719 1.00 0.00 H new ATOM 299 N LEU A 23 2.395 -3.025 8.066 1.00 0.00 N ATOM 300 CA LEU A 23 3.519 -3.500 7.278 1.00 0.00 C ATOM 301 C LEU A 23 4.569 -4.108 8.210 1.00 0.00 C ATOM 302 O LEU A 23 4.677 -3.714 9.370 1.00 0.00 O ATOM 303 CB LEU A 23 4.061 -2.379 6.388 1.00 0.00 C ATOM 304 CG LEU A 23 3.172 -1.965 5.215 1.00 0.00 C ATOM 305 CD1 LEU A 23 2.716 -3.186 4.414 1.00 0.00 C ATOM 306 CD2 LEU A 23 1.990 -1.120 5.694 1.00 0.00 C ATOM 0 H LEU A 23 2.005 -2.134 7.759 1.00 0.00 H new ATOM 0 HA LEU A 23 3.201 -4.290 6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.239 -1.502 7.010 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.028 -2.691 5.993 1.00 0.00 H new ATOM 0 HG LEU A 23 3.762 -1.342 4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.085 -2.863 3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.588 -3.711 4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.150 -3.855 5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.374 -0.839 4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.392 -1.698 6.399 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.361 -0.221 6.185 1.00 0.00 H new ATOM 318 N PRO A 24 5.335 -5.085 7.653 1.00 0.00 N ATOM 319 CA PRO A 24 6.372 -5.751 8.422 1.00 0.00 C ATOM 320 C PRO A 24 7.593 -4.845 8.597 1.00 0.00 C ATOM 321 O PRO A 24 7.650 -3.758 8.025 1.00 0.00 O ATOM 322 CB PRO A 24 6.682 -7.021 7.646 1.00 0.00 C ATOM 323 CG PRO A 24 6.146 -6.793 6.242 1.00 0.00 C ATOM 324 CD PRO A 24 5.234 -5.578 6.283 1.00 0.00 C ATOM 0 HA PRO A 24 6.056 -5.987 9.438 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.754 -7.216 7.628 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.209 -7.887 8.109 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.966 -6.632 5.542 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.599 -7.670 5.895 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.550 -4.821 5.565 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.207 -5.845 6.033 1.00 0.00 H new ATOM 332 N PRO A 25 8.563 -5.340 9.411 1.00 0.00 N ATOM 333 CA PRO A 25 9.779 -4.587 9.669 1.00 0.00 C ATOM 334 C PRO A 25 10.719 -4.634 8.463 1.00 0.00 C ATOM 335 O PRO A 25 11.653 -3.839 8.367 1.00 0.00 O ATOM 336 CB PRO A 25 10.378 -5.221 10.914 1.00 0.00 C ATOM 337 CG PRO A 25 9.730 -6.591 11.037 1.00 0.00 C ATOM 338 CD PRO A 25 8.529 -6.623 10.106 1.00 0.00 C ATOM 0 HA PRO A 25 9.590 -3.526 9.830 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.461 -5.308 10.826 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.178 -4.614 11.797 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.440 -7.374 10.772 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.421 -6.776 12.066 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.594 -7.455 9.405 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.600 -6.747 10.663 1.00 0.00 H new ATOM 346 N SER A 26 10.440 -5.574 7.572 1.00 0.00 N ATOM 347 CA SER A 26 11.249 -5.735 6.376 1.00 0.00 C ATOM 348 C SER A 26 10.380 -5.560 5.128 1.00 0.00 C ATOM 349 O SER A 26 10.833 -5.807 4.012 1.00 0.00 O ATOM 350 CB SER A 26 11.937 -7.101 6.356 1.00 0.00 C ATOM 351 OG SER A 26 12.365 -7.502 7.654 1.00 0.00 O ATOM 0 H SER A 26 9.665 -6.232 7.654 1.00 0.00 H new ATOM 0 HA SER A 26 12.024 -4.968 6.382 1.00 0.00 H new ATOM 0 HB2 SER A 26 11.251 -7.847 5.954 1.00 0.00 H new ATOM 0 HB3 SER A 26 12.796 -7.064 5.686 1.00 0.00 H new ATOM 0 HG SER A 26 12.798 -8.380 7.599 1.00 0.00 H new ATOM 357 N GLY A 27 9.147 -5.134 5.360 1.00 0.00 N ATOM 358 CA GLY A 27 8.211 -4.922 4.270 1.00 0.00 C ATOM 359 C GLY A 27 8.724 -3.851 3.306 1.00 0.00 C ATOM 360 O GLY A 27 9.632 -3.091 3.643 1.00 0.00 O ATOM 0 H GLY A 27 8.775 -4.930 6.287 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.057 -5.857 3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.243 -4.622 4.671 1.00 0.00 H new ATOM 364 N SER A 28 8.122 -3.823 2.127 1.00 0.00 N ATOM 365 CA SER A 28 8.506 -2.857 1.112 1.00 0.00 C ATOM 366 C SER A 28 7.270 -2.380 0.347 1.00 0.00 C ATOM 367 O SER A 28 6.216 -3.012 0.408 1.00 0.00 O ATOM 368 CB SER A 28 9.531 -3.453 0.144 1.00 0.00 C ATOM 369 OG SER A 28 10.782 -3.702 0.779 1.00 0.00 O ATOM 0 H SER A 28 7.370 -4.455 1.851 1.00 0.00 H new ATOM 0 HA SER A 28 8.968 -2.005 1.610 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.142 -4.384 -0.268 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.679 -2.771 -0.693 1.00 0.00 H new ATOM 0 HG SER A 28 11.409 -4.083 0.129 1.00 0.00 H new ATOM 375 N TRP A 29 7.439 -1.269 -0.354 1.00 0.00 N ATOM 376 CA TRP A 29 6.350 -0.700 -1.129 1.00 0.00 C ATOM 377 C TRP A 29 6.168 -1.554 -2.386 1.00 0.00 C ATOM 378 O TRP A 29 5.049 -1.935 -2.725 1.00 0.00 O ATOM 379 CB TRP A 29 6.611 0.775 -1.441 1.00 0.00 C ATOM 380 CG TRP A 29 7.977 1.045 -2.076 1.00 0.00 C ATOM 381 CD1 TRP A 29 9.105 1.437 -1.470 1.00 0.00 C ATOM 382 CD2 TRP A 29 8.313 0.925 -3.475 1.00 0.00 C ATOM 383 NE1 TRP A 29 10.141 1.579 -2.371 1.00 0.00 N ATOM 384 CE2 TRP A 29 9.644 1.257 -3.629 1.00 0.00 C ATOM 385 CE3 TRP A 29 7.520 0.548 -4.572 1.00 0.00 C ATOM 386 CZ2 TRP A 29 10.298 1.246 -4.867 1.00 0.00 C ATOM 387 CZ3 TRP A 29 8.188 0.542 -5.802 1.00 0.00 C ATOM 388 CH2 TRP A 29 9.527 0.874 -5.975 1.00 0.00 C ATOM 0 H TRP A 29 8.314 -0.747 -0.402 1.00 0.00 H new ATOM 0 HA TRP A 29 5.421 -0.717 -0.559 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.832 1.137 -2.112 1.00 0.00 H new ATOM 0 HB3 TRP A 29 6.530 1.351 -0.519 1.00 0.00 H new ATOM 0 HD1 TRP A 29 9.193 1.619 -0.409 1.00 0.00 H new ATOM 0 HE1 TRP A 29 11.095 1.867 -2.154 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.477 0.284 -4.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 11.341 1.510 -4.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.624 0.260 -6.678 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.970 0.845 -6.959 1.00 0.00 H new ATOM 399 N GLN A 30 7.285 -1.829 -3.043 1.00 0.00 N ATOM 400 CA GLN A 30 7.263 -2.630 -4.255 1.00 0.00 C ATOM 401 C GLN A 30 6.251 -3.770 -4.119 1.00 0.00 C ATOM 402 O GLN A 30 5.207 -3.758 -4.770 1.00 0.00 O ATOM 403 CB GLN A 30 8.657 -3.170 -4.580 1.00 0.00 C ATOM 404 CG GLN A 30 9.457 -2.162 -5.407 1.00 0.00 C ATOM 405 CD GLN A 30 10.793 -2.757 -5.855 1.00 0.00 C ATOM 406 OE1 GLN A 30 11.443 -3.500 -5.137 1.00 0.00 O ATOM 407 NE2 GLN A 30 11.167 -2.389 -7.077 1.00 0.00 N ATOM 0 H GLN A 30 8.212 -1.511 -2.759 1.00 0.00 H new ATOM 0 HA GLN A 30 6.954 -1.993 -5.084 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.190 -3.391 -3.655 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.569 -4.107 -5.129 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.878 -1.862 -6.280 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.635 -1.263 -4.818 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.576 -1.764 -7.625 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.045 -2.732 -7.466 1.00 0.00 H new ATOM 416 N ASP A 31 6.596 -4.726 -3.270 1.00 0.00 N ATOM 417 CA ASP A 31 5.730 -5.871 -3.040 1.00 0.00 C ATOM 418 C ASP A 31 4.326 -5.379 -2.685 1.00 0.00 C ATOM 419 O ASP A 31 3.338 -5.851 -3.247 1.00 0.00 O ATOM 420 CB ASP A 31 6.241 -6.723 -1.877 1.00 0.00 C ATOM 421 CG ASP A 31 6.556 -8.178 -2.231 1.00 0.00 C ATOM 422 OD1 ASP A 31 7.692 -8.417 -2.694 1.00 0.00 O ATOM 423 OD2 ASP A 31 5.653 -9.019 -2.031 1.00 0.00 O ATOM 0 H ASP A 31 7.463 -4.732 -2.733 1.00 0.00 H new ATOM 0 HA ASP A 31 5.717 -6.473 -3.949 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.142 -6.259 -1.475 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.495 -6.711 -1.082 1.00 0.00 H new ATOM 428 N LEU A 32 4.281 -4.438 -1.754 1.00 0.00 N ATOM 429 CA LEU A 32 3.013 -3.878 -1.317 1.00 0.00 C ATOM 430 C LEU A 32 2.177 -3.502 -2.542 1.00 0.00 C ATOM 431 O LEU A 32 1.026 -3.918 -2.664 1.00 0.00 O ATOM 432 CB LEU A 32 3.246 -2.714 -0.351 1.00 0.00 C ATOM 433 CG LEU A 32 2.002 -1.928 0.065 1.00 0.00 C ATOM 434 CD1 LEU A 32 2.269 -1.105 1.327 1.00 0.00 C ATOM 435 CD2 LEU A 32 1.491 -1.060 -1.088 1.00 0.00 C ATOM 0 H LEU A 32 5.102 -4.049 -1.290 1.00 0.00 H new ATOM 0 HA LEU A 32 2.443 -4.619 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.722 -3.104 0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.952 -2.022 -0.811 1.00 0.00 H new ATOM 0 HG LEU A 32 1.213 -2.640 0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.368 -0.556 1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.550 -1.771 2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.079 -0.401 1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.606 -0.512 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.267 -0.354 -1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.236 -1.695 -1.936 1.00 0.00 H new ATOM 447 N LYS A 33 2.789 -2.718 -3.418 1.00 0.00 N ATOM 448 CA LYS A 33 2.115 -2.282 -4.629 1.00 0.00 C ATOM 449 C LYS A 33 1.580 -3.503 -5.378 1.00 0.00 C ATOM 450 O LYS A 33 0.368 -3.676 -5.505 1.00 0.00 O ATOM 451 CB LYS A 33 3.043 -1.402 -5.470 1.00 0.00 C ATOM 452 CG LYS A 33 2.269 -0.704 -6.591 1.00 0.00 C ATOM 453 CD LYS A 33 3.202 -0.310 -7.738 1.00 0.00 C ATOM 454 CE LYS A 33 2.944 1.131 -8.183 1.00 0.00 C ATOM 455 NZ LYS A 33 2.773 1.197 -9.651 1.00 0.00 N ATOM 0 H LYS A 33 3.743 -2.374 -3.313 1.00 0.00 H new ATOM 0 HA LYS A 33 1.256 -1.657 -4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.519 -0.657 -4.833 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.839 -2.011 -5.898 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.487 -1.365 -6.964 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.775 0.184 -6.198 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.239 -0.416 -7.421 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.055 -0.986 -8.580 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.052 1.516 -7.689 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.776 1.766 -7.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.682 1.436 -10.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.447 0.275 -10.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.070 1.926 -9.886 1.00 0.00 H new ATOM 469 N ASP A 34 2.508 -4.319 -5.856 1.00 0.00 N ATOM 470 CA ASP A 34 2.144 -5.519 -6.589 1.00 0.00 C ATOM 471 C ASP A 34 0.917 -6.159 -5.936 1.00 0.00 C ATOM 472 O ASP A 34 0.109 -6.793 -6.612 1.00 0.00 O ATOM 473 CB ASP A 34 3.280 -6.544 -6.566 1.00 0.00 C ATOM 474 CG ASP A 34 4.537 -6.134 -7.336 1.00 0.00 C ATOM 475 OD1 ASP A 34 4.531 -5.004 -7.872 1.00 0.00 O ATOM 476 OD2 ASP A 34 5.476 -6.958 -7.370 1.00 0.00 O ATOM 0 H ASP A 34 3.512 -4.172 -5.750 1.00 0.00 H new ATOM 0 HA ASP A 34 1.936 -5.234 -7.620 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.554 -6.737 -5.529 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.910 -7.483 -6.978 1.00 0.00 H new ATOM 481 N HIS A 35 0.817 -5.969 -4.628 1.00 0.00 N ATOM 482 CA HIS A 35 -0.298 -6.520 -3.876 1.00 0.00 C ATOM 483 C HIS A 35 -1.497 -5.575 -3.971 1.00 0.00 C ATOM 484 O HIS A 35 -2.550 -5.951 -4.483 1.00 0.00 O ATOM 485 CB HIS A 35 0.113 -6.813 -2.432 1.00 0.00 C ATOM 486 CG HIS A 35 -0.964 -7.481 -1.611 1.00 0.00 C ATOM 487 ND1 HIS A 35 -2.270 -7.144 -1.410 1.00 0.00 N flip ATOM 488 CD2 HIS A 35 -0.742 -8.638 -0.883 1.00 0.00 C flip ATOM 489 CE1 HIS A 35 -2.817 -8.045 -0.604 1.00 0.00 C flip ATOM 490 NE2 HIS A 35 -1.872 -8.972 -0.276 1.00 0.00 N flip ATOM 0 H HIS A 35 1.489 -5.442 -4.070 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.597 -7.475 -4.308 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.998 -7.450 -2.439 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.397 -5.878 -1.949 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.192 -9.176 -0.821 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.842 -8.044 -0.264 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -2.011 -9.781 0.330 1.00 0.00 H new ATOM 498 N MET A 36 -1.298 -4.365 -3.469 1.00 0.00 N ATOM 499 CA MET A 36 -2.350 -3.363 -3.490 1.00 0.00 C ATOM 500 C MET A 36 -2.964 -3.242 -4.886 1.00 0.00 C ATOM 501 O MET A 36 -4.177 -3.089 -5.023 1.00 0.00 O ATOM 502 CB MET A 36 -1.775 -2.010 -3.066 1.00 0.00 C ATOM 503 CG MET A 36 -1.483 -1.984 -1.564 1.00 0.00 C ATOM 504 SD MET A 36 -2.981 -2.294 -0.646 1.00 0.00 S ATOM 505 CE MET A 36 -4.175 -1.538 -1.736 1.00 0.00 C ATOM 0 H MET A 36 -0.423 -4.056 -3.045 1.00 0.00 H new ATOM 0 HA MET A 36 -3.132 -3.669 -2.795 1.00 0.00 H new ATOM 0 HB2 MET A 36 -0.859 -1.810 -3.622 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.479 -1.217 -3.317 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.734 -2.736 -1.318 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.068 -1.016 -1.283 1.00 0.00 H new ATOM 0 HE1 MET A 36 -5.100 -1.353 -1.190 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.779 -0.594 -2.110 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.376 -2.205 -2.574 1.00 0.00 H new ATOM 515 N ARG A 37 -2.099 -3.316 -5.887 1.00 0.00 N ATOM 516 CA ARG A 37 -2.541 -3.217 -7.267 1.00 0.00 C ATOM 517 C ARG A 37 -3.828 -4.018 -7.471 1.00 0.00 C ATOM 518 O ARG A 37 -4.616 -3.716 -8.366 1.00 0.00 O ATOM 519 CB ARG A 37 -1.468 -3.735 -8.227 1.00 0.00 C ATOM 520 CG ARG A 37 -0.135 -3.020 -7.997 1.00 0.00 C ATOM 521 CD ARG A 37 0.267 -2.200 -9.225 1.00 0.00 C ATOM 522 NE ARG A 37 0.406 -3.087 -10.402 1.00 0.00 N ATOM 523 CZ ARG A 37 0.646 -2.651 -11.647 1.00 0.00 C ATOM 524 NH1 ARG A 37 0.774 -1.339 -11.884 1.00 0.00 N ATOM 525 NH2 ARG A 37 0.757 -3.528 -12.654 1.00 0.00 N ATOM 0 H ARG A 37 -1.094 -3.443 -5.769 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.727 -2.165 -7.481 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.338 -4.808 -8.088 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.793 -3.584 -9.257 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.214 -2.366 -7.129 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.641 -3.752 -7.775 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.483 -1.434 -9.423 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.208 -1.683 -9.036 1.00 0.00 H new ATOM 0 HE ARG A 37 0.313 -4.092 -10.257 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.689 -0.672 -11.117 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.957 -1.007 -12.831 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.659 -4.527 -12.473 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.940 -3.197 -13.601 1.00 0.00 H new ATOM 539 N GLU A 38 -4.001 -5.024 -6.626 1.00 0.00 N ATOM 540 CA GLU A 38 -5.180 -5.871 -6.702 1.00 0.00 C ATOM 541 C GLU A 38 -6.382 -5.065 -7.198 1.00 0.00 C ATOM 542 O GLU A 38 -7.176 -5.557 -7.998 1.00 0.00 O ATOM 543 CB GLU A 38 -5.476 -6.521 -5.349 1.00 0.00 C ATOM 544 CG GLU A 38 -5.078 -7.998 -5.352 1.00 0.00 C ATOM 545 CD GLU A 38 -3.567 -8.159 -5.527 1.00 0.00 C ATOM 546 OE1 GLU A 38 -3.104 -7.956 -6.670 1.00 0.00 O ATOM 547 OE2 GLU A 38 -2.909 -8.481 -4.514 1.00 0.00 O ATOM 0 H GLU A 38 -3.345 -5.272 -5.885 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.984 -6.670 -7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.933 -5.996 -4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.538 -6.427 -5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.391 -8.464 -4.418 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.598 -8.517 -6.157 1.00 0.00 H new ATOM 554 N ALA A 39 -6.477 -3.839 -6.704 1.00 0.00 N ATOM 555 CA ALA A 39 -7.568 -2.960 -7.087 1.00 0.00 C ATOM 556 C ALA A 39 -7.514 -2.715 -8.596 1.00 0.00 C ATOM 557 O ALA A 39 -8.234 -3.358 -9.359 1.00 0.00 O ATOM 558 CB ALA A 39 -7.485 -1.662 -6.282 1.00 0.00 C ATOM 0 H ALA A 39 -5.816 -3.434 -6.042 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.530 -3.422 -6.862 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.304 -1.003 -6.570 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.558 -1.888 -5.218 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.534 -1.169 -6.484 1.00 0.00 H new ATOM 564 N GLY A 40 -6.654 -1.784 -8.982 1.00 0.00 N ATOM 565 CA GLY A 40 -6.497 -1.447 -10.386 1.00 0.00 C ATOM 566 C GLY A 40 -5.052 -1.051 -10.697 1.00 0.00 C ATOM 567 O GLY A 40 -4.152 -1.888 -10.651 1.00 0.00 O ATOM 0 H GLY A 40 -6.059 -1.253 -8.347 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.785 -2.299 -11.002 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.166 -0.626 -10.644 1.00 0.00 H new ATOM 571 N ASP A 41 -4.875 0.226 -11.005 1.00 0.00 N ATOM 572 CA ASP A 41 -3.555 0.743 -11.323 1.00 0.00 C ATOM 573 C ASP A 41 -3.072 1.634 -10.177 1.00 0.00 C ATOM 574 O ASP A 41 -3.785 2.540 -9.748 1.00 0.00 O ATOM 575 CB ASP A 41 -3.586 1.587 -12.598 1.00 0.00 C ATOM 576 CG ASP A 41 -2.227 1.794 -13.270 1.00 0.00 C ATOM 577 OD1 ASP A 41 -1.248 1.206 -12.764 1.00 0.00 O ATOM 578 OD2 ASP A 41 -2.199 2.537 -14.276 1.00 0.00 O ATOM 0 H ASP A 41 -5.624 0.917 -11.041 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.887 -0.106 -11.469 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.259 1.114 -13.313 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.009 2.563 -12.359 1.00 0.00 H new ATOM 583 N VAL A 42 -1.864 1.347 -9.715 1.00 0.00 N ATOM 584 CA VAL A 42 -1.277 2.111 -8.628 1.00 0.00 C ATOM 585 C VAL A 42 -0.245 3.088 -9.195 1.00 0.00 C ATOM 586 O VAL A 42 0.760 2.671 -9.768 1.00 0.00 O ATOM 587 CB VAL A 42 -0.690 1.164 -7.579 1.00 0.00 C ATOM 588 CG1 VAL A 42 -0.329 1.919 -6.298 1.00 0.00 C ATOM 589 CG2 VAL A 42 -1.650 0.010 -7.284 1.00 0.00 C ATOM 0 H VAL A 42 -1.275 0.595 -10.074 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.040 2.702 -8.122 1.00 0.00 H new ATOM 0 HB VAL A 42 0.228 0.740 -7.987 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.086 1.222 -5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.409 2.689 -6.525 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.224 2.385 -5.886 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.209 -0.648 -6.535 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.592 0.408 -6.907 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.834 -0.553 -8.199 1.00 0.00 H new ATOM 599 N CYS A 43 -0.530 4.370 -9.016 1.00 0.00 N ATOM 600 CA CYS A 43 0.360 5.409 -9.503 1.00 0.00 C ATOM 601 C CYS A 43 1.278 5.833 -8.355 1.00 0.00 C ATOM 602 O CYS A 43 2.370 6.350 -8.587 1.00 0.00 O ATOM 603 CB CYS A 43 -0.416 6.595 -10.080 1.00 0.00 C ATOM 604 SG CYS A 43 0.723 7.990 -10.406 1.00 0.00 S ATOM 0 H CYS A 43 -1.365 4.712 -8.540 1.00 0.00 H new ATOM 0 HA CYS A 43 0.962 5.019 -10.324 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.915 6.299 -11.003 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.194 6.905 -9.382 1.00 0.00 H new ATOM 0 HG CYS A 43 1.841 7.795 -9.772 1.00 0.00 H new ATOM 610 N TYR A 44 0.802 5.597 -7.141 1.00 0.00 N ATOM 611 CA TYR A 44 1.566 5.948 -5.956 1.00 0.00 C ATOM 612 C TYR A 44 1.665 4.760 -4.996 1.00 0.00 C ATOM 613 O TYR A 44 0.661 4.116 -4.695 1.00 0.00 O ATOM 614 CB TYR A 44 0.792 7.077 -5.274 1.00 0.00 C ATOM 615 CG TYR A 44 1.578 7.796 -4.176 1.00 0.00 C ATOM 616 CD1 TYR A 44 1.768 7.189 -2.952 1.00 0.00 C ATOM 617 CD2 TYR A 44 2.098 9.053 -4.411 1.00 0.00 C ATOM 618 CE1 TYR A 44 2.509 7.866 -1.919 1.00 0.00 C ATOM 619 CE2 TYR A 44 2.839 9.730 -3.378 1.00 0.00 C ATOM 620 CZ TYR A 44 3.007 9.103 -2.183 1.00 0.00 C ATOM 621 OH TYR A 44 3.707 9.743 -1.208 1.00 0.00 O ATOM 0 H TYR A 44 -0.103 5.167 -6.953 1.00 0.00 H new ATOM 0 HA TYR A 44 2.580 6.241 -6.226 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.492 7.805 -6.028 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.122 6.668 -4.844 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.361 6.206 -2.768 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.949 9.529 -5.369 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.665 7.401 -0.957 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.252 10.713 -3.549 1.00 0.00 H new ATOM 0 HH TYR A 44 4.528 9.244 -1.014 1.00 0.00 H new ATOM 631 N ALA A 45 2.883 4.506 -4.543 1.00 0.00 N ATOM 632 CA ALA A 45 3.126 3.408 -3.624 1.00 0.00 C ATOM 633 C ALA A 45 4.350 3.729 -2.764 1.00 0.00 C ATOM 634 O ALA A 45 5.459 3.858 -3.280 1.00 0.00 O ATOM 635 CB ALA A 45 3.293 2.108 -4.414 1.00 0.00 C ATOM 0 H ALA A 45 3.713 5.042 -4.796 1.00 0.00 H new ATOM 0 HA ALA A 45 2.278 3.275 -2.953 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.475 1.284 -3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.386 1.910 -4.984 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.137 2.203 -5.097 1.00 0.00 H new ATOM 641 N ASP A 46 4.108 3.848 -1.467 1.00 0.00 N ATOM 642 CA ASP A 46 5.177 4.152 -0.531 1.00 0.00 C ATOM 643 C ASP A 46 4.910 3.432 0.793 1.00 0.00 C ATOM 644 O ASP A 46 3.792 2.983 1.044 1.00 0.00 O ATOM 645 CB ASP A 46 5.250 5.653 -0.246 1.00 0.00 C ATOM 646 CG ASP A 46 5.987 6.477 -1.304 1.00 0.00 C ATOM 647 OD1 ASP A 46 6.745 5.856 -2.080 1.00 0.00 O ATOM 648 OD2 ASP A 46 5.776 7.709 -1.313 1.00 0.00 O ATOM 0 H ASP A 46 3.187 3.739 -1.042 1.00 0.00 H new ATOM 0 HA ASP A 46 6.117 3.823 -0.975 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.235 6.039 -0.149 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.741 5.802 0.716 1.00 0.00 H new ATOM 653 N VAL A 47 5.954 3.345 1.603 1.00 0.00 N ATOM 654 CA VAL A 47 5.846 2.688 2.895 1.00 0.00 C ATOM 655 C VAL A 47 6.680 3.453 3.923 1.00 0.00 C ATOM 656 O VAL A 47 7.757 3.955 3.605 1.00 0.00 O ATOM 657 CB VAL A 47 6.253 1.218 2.769 1.00 0.00 C ATOM 658 CG1 VAL A 47 7.563 1.076 1.993 1.00 0.00 C ATOM 659 CG2 VAL A 47 6.357 0.558 4.146 1.00 0.00 C ATOM 0 H VAL A 47 6.879 3.718 1.390 1.00 0.00 H new ATOM 0 HA VAL A 47 4.813 2.697 3.243 1.00 0.00 H new ATOM 0 HB VAL A 47 5.474 0.702 2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.829 0.022 1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.440 1.491 0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.355 1.614 2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.648 -0.486 4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.106 1.078 4.743 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.391 0.611 4.649 1.00 0.00 H new ATOM 669 N GLN A 48 6.151 3.519 5.136 1.00 0.00 N ATOM 670 CA GLN A 48 6.834 4.215 6.214 1.00 0.00 C ATOM 671 C GLN A 48 7.268 3.223 7.295 1.00 0.00 C ATOM 672 O GLN A 48 6.709 2.133 7.403 1.00 0.00 O ATOM 673 CB GLN A 48 5.950 5.316 6.803 1.00 0.00 C ATOM 674 CG GLN A 48 5.885 6.525 5.869 1.00 0.00 C ATOM 675 CD GLN A 48 6.272 7.809 6.606 1.00 0.00 C ATOM 676 OE1 GLN A 48 5.495 8.389 7.347 1.00 0.00 O ATOM 677 NE2 GLN A 48 7.514 8.219 6.363 1.00 0.00 N ATOM 0 H GLN A 48 5.257 3.102 5.396 1.00 0.00 H new ATOM 0 HA GLN A 48 7.726 4.691 5.806 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.945 4.929 6.973 1.00 0.00 H new ATOM 0 HB3 GLN A 48 6.342 5.622 7.773 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.554 6.371 5.023 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.877 6.623 5.465 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.113 7.686 5.732 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.868 9.066 6.808 1.00 0.00 H new ATOM 686 N LYS A 49 8.262 3.637 8.068 1.00 0.00 N ATOM 687 CA LYS A 49 8.777 2.799 9.137 1.00 0.00 C ATOM 688 C LYS A 49 7.616 2.329 10.016 1.00 0.00 C ATOM 689 O LYS A 49 6.460 2.653 9.749 1.00 0.00 O ATOM 690 CB LYS A 49 9.876 3.531 9.910 1.00 0.00 C ATOM 691 CG LYS A 49 9.333 4.807 10.558 1.00 0.00 C ATOM 692 CD LYS A 49 10.129 5.164 11.815 1.00 0.00 C ATOM 693 CE LYS A 49 10.655 6.599 11.742 1.00 0.00 C ATOM 694 NZ LYS A 49 10.363 7.323 12.999 1.00 0.00 N ATOM 0 H LYS A 49 8.724 4.542 7.975 1.00 0.00 H new ATOM 0 HA LYS A 49 9.248 1.906 8.727 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.285 2.874 10.678 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.695 3.781 9.236 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.382 5.631 9.846 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.283 4.670 10.815 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.496 5.049 12.695 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.964 4.472 11.930 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.730 6.590 11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.196 7.119 10.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.727 8.295 12.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.335 7.348 13.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.822 6.836 13.795 1.00 0.00 H new ATOM 708 N ASP A 50 7.965 1.572 11.046 1.00 0.00 N ATOM 709 CA ASP A 50 6.966 1.054 11.966 1.00 0.00 C ATOM 710 C ASP A 50 6.148 -0.033 11.264 1.00 0.00 C ATOM 711 O ASP A 50 6.102 -1.173 11.723 1.00 0.00 O ATOM 712 CB ASP A 50 6.003 2.156 12.411 1.00 0.00 C ATOM 713 CG ASP A 50 5.507 2.037 13.854 1.00 0.00 C ATOM 714 OD1 ASP A 50 6.362 2.145 14.759 1.00 0.00 O ATOM 715 OD2 ASP A 50 4.284 1.840 14.019 1.00 0.00 O ATOM 0 H ASP A 50 8.925 1.305 11.264 1.00 0.00 H new ATOM 0 HA ASP A 50 7.485 0.655 12.838 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.497 3.120 12.291 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.140 2.155 11.745 1.00 0.00 H new ATOM 720 N GLY A 51 5.523 0.359 10.164 1.00 0.00 N ATOM 721 CA GLY A 51 4.710 -0.567 9.395 1.00 0.00 C ATOM 722 C GLY A 51 3.510 0.146 8.769 1.00 0.00 C ATOM 723 O GLY A 51 2.367 -0.266 8.964 1.00 0.00 O ATOM 0 H GLY A 51 5.563 1.306 9.787 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.315 -1.024 8.612 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.362 -1.374 10.040 1.00 0.00 H new ATOM 727 N MET A 52 3.810 1.204 8.030 1.00 0.00 N ATOM 728 CA MET A 52 2.770 1.978 7.374 1.00 0.00 C ATOM 729 C MET A 52 2.939 1.946 5.854 1.00 0.00 C ATOM 730 O MET A 52 4.028 1.671 5.352 1.00 0.00 O ATOM 731 CB MET A 52 2.827 3.427 7.864 1.00 0.00 C ATOM 732 CG MET A 52 1.940 3.624 9.095 1.00 0.00 C ATOM 733 SD MET A 52 0.961 5.105 8.911 1.00 0.00 S ATOM 734 CE MET A 52 -0.217 4.863 10.230 1.00 0.00 C ATOM 0 H MET A 52 4.759 1.543 7.871 1.00 0.00 H new ATOM 0 HA MET A 52 1.804 1.538 7.622 1.00 0.00 H new ATOM 0 HB2 MET A 52 3.856 3.693 8.106 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.504 4.097 7.067 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.287 2.761 9.225 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.557 3.695 9.991 1.00 0.00 H new ATOM 0 HE1 MET A 52 -0.910 5.704 10.258 1.00 0.00 H new ATOM 0 HE2 MET A 52 -0.772 3.941 10.058 1.00 0.00 H new ATOM 0 HE3 MET A 52 0.311 4.796 11.181 1.00 0.00 H new ATOM 744 N GLY A 53 1.845 2.231 5.163 1.00 0.00 N ATOM 745 CA GLY A 53 1.858 2.238 3.710 1.00 0.00 C ATOM 746 C GLY A 53 0.809 3.206 3.157 1.00 0.00 C ATOM 747 O GLY A 53 -0.139 3.564 3.854 1.00 0.00 O ATOM 0 H GLY A 53 0.944 2.459 5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.847 2.525 3.353 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.663 1.233 3.336 1.00 0.00 H new ATOM 751 N MET A 54 1.015 3.602 1.909 1.00 0.00 N ATOM 752 CA MET A 54 0.099 4.520 1.255 1.00 0.00 C ATOM 753 C MET A 54 0.127 4.334 -0.263 1.00 0.00 C ATOM 754 O MET A 54 1.159 4.542 -0.899 1.00 0.00 O ATOM 755 CB MET A 54 0.487 5.960 1.600 1.00 0.00 C ATOM 756 CG MET A 54 -0.710 6.901 1.449 1.00 0.00 C ATOM 757 SD MET A 54 -0.216 8.383 0.584 1.00 0.00 S ATOM 758 CE MET A 54 -0.539 7.881 -1.098 1.00 0.00 C ATOM 0 H MET A 54 1.803 3.304 1.334 1.00 0.00 H new ATOM 0 HA MET A 54 -0.910 4.311 1.609 1.00 0.00 H new ATOM 0 HB2 MET A 54 0.862 6.004 2.622 1.00 0.00 H new ATOM 0 HB3 MET A 54 1.297 6.288 0.949 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.510 6.401 0.903 1.00 0.00 H new ATOM 0 HG3 MET A 54 -1.107 7.158 2.431 1.00 0.00 H new ATOM 0 HE1 MET A 54 -0.217 8.668 -1.781 1.00 0.00 H new ATOM 0 HE2 MET A 54 0.010 6.965 -1.316 1.00 0.00 H new ATOM 0 HE3 MET A 54 -1.607 7.704 -1.226 1.00 0.00 H new ATOM 768 N VAL A 55 -1.020 3.943 -0.800 1.00 0.00 N ATOM 769 CA VAL A 55 -1.140 3.726 -2.232 1.00 0.00 C ATOM 770 C VAL A 55 -2.317 4.542 -2.770 1.00 0.00 C ATOM 771 O VAL A 55 -3.366 4.619 -2.133 1.00 0.00 O ATOM 772 CB VAL A 55 -1.266 2.229 -2.525 1.00 0.00 C ATOM 773 CG1 VAL A 55 0.074 1.645 -2.978 1.00 0.00 C ATOM 774 CG2 VAL A 55 -1.811 1.476 -1.310 1.00 0.00 C ATOM 0 H VAL A 55 -1.874 3.771 -0.269 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.243 4.070 -2.748 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.978 2.106 -3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.043 0.580 -3.180 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.404 2.152 -3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.817 1.786 -2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.891 0.415 -1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.135 1.611 -0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.796 1.865 -1.052 1.00 0.00 H new ATOM 784 N GLU A 56 -2.103 5.130 -3.938 1.00 0.00 N ATOM 785 CA GLU A 56 -3.134 5.937 -4.569 1.00 0.00 C ATOM 786 C GLU A 56 -3.752 5.182 -5.747 1.00 0.00 C ATOM 787 O GLU A 56 -3.103 4.331 -6.354 1.00 0.00 O ATOM 788 CB GLU A 56 -2.574 7.288 -5.017 1.00 0.00 C ATOM 789 CG GLU A 56 -1.958 8.045 -3.838 1.00 0.00 C ATOM 790 CD GLU A 56 -1.315 9.354 -4.302 1.00 0.00 C ATOM 791 OE1 GLU A 56 -1.891 9.974 -5.223 1.00 0.00 O ATOM 792 OE2 GLU A 56 -0.263 9.704 -3.726 1.00 0.00 O ATOM 0 H GLU A 56 -1.231 5.064 -4.464 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.917 6.130 -3.836 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.820 7.135 -5.789 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.369 7.886 -5.462 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.727 8.257 -3.095 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.209 7.420 -3.352 1.00 0.00 H new ATOM 799 N TYR A 57 -5.000 5.520 -6.035 1.00 0.00 N ATOM 800 CA TYR A 57 -5.714 4.884 -7.130 1.00 0.00 C ATOM 801 C TYR A 57 -6.301 5.929 -8.082 1.00 0.00 C ATOM 802 O TYR A 57 -6.796 6.966 -7.642 1.00 0.00 O ATOM 803 CB TYR A 57 -6.858 4.097 -6.487 1.00 0.00 C ATOM 804 CG TYR A 57 -6.420 2.787 -5.830 1.00 0.00 C ATOM 805 CD1 TYR A 57 -5.718 1.850 -6.561 1.00 0.00 C ATOM 806 CD2 TYR A 57 -6.727 2.542 -4.507 1.00 0.00 C ATOM 807 CE1 TYR A 57 -5.305 0.617 -5.942 1.00 0.00 C ATOM 808 CE2 TYR A 57 -6.314 1.309 -3.889 1.00 0.00 C ATOM 809 CZ TYR A 57 -5.624 0.407 -4.637 1.00 0.00 C ATOM 810 OH TYR A 57 -5.234 -0.758 -4.053 1.00 0.00 O ATOM 0 H TYR A 57 -5.535 6.226 -5.530 1.00 0.00 H new ATOM 0 HA TYR A 57 -5.043 4.249 -7.708 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.340 4.724 -5.737 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.607 3.877 -7.248 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.479 2.041 -7.597 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.277 3.275 -3.935 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.754 -0.124 -6.502 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.547 1.105 -2.854 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.901 -1.373 -4.740 1.00 0.00 H new ATOM 820 N LEU A 58 -6.226 5.619 -9.368 1.00 0.00 N ATOM 821 CA LEU A 58 -6.744 6.518 -10.385 1.00 0.00 C ATOM 822 C LEU A 58 -8.237 6.250 -10.584 1.00 0.00 C ATOM 823 O LEU A 58 -8.845 6.769 -11.519 1.00 0.00 O ATOM 824 CB LEU A 58 -5.922 6.403 -11.670 1.00 0.00 C ATOM 825 CG LEU A 58 -4.409 6.564 -11.515 1.00 0.00 C ATOM 826 CD1 LEU A 58 -4.071 7.820 -10.709 1.00 0.00 C ATOM 827 CD2 LEU A 58 -3.783 5.308 -10.907 1.00 0.00 C ATOM 0 H LEU A 58 -5.815 4.758 -9.729 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.646 7.555 -10.063 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.120 5.429 -12.118 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.277 7.156 -12.374 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.976 6.691 -12.507 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.989 7.911 -10.614 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.465 8.698 -11.221 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.518 7.747 -9.717 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.707 5.449 -10.808 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.217 5.124 -9.924 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.978 4.454 -11.555 1.00 0.00 H new ATOM 839 N ARG A 59 -8.785 5.441 -9.689 1.00 0.00 N ATOM 840 CA ARG A 59 -10.196 5.098 -9.755 1.00 0.00 C ATOM 841 C ARG A 59 -10.779 4.981 -8.345 1.00 0.00 C ATOM 842 O ARG A 59 -10.160 4.393 -7.460 1.00 0.00 O ATOM 843 CB ARG A 59 -10.408 3.778 -10.499 1.00 0.00 C ATOM 844 CG ARG A 59 -10.323 3.983 -12.013 1.00 0.00 C ATOM 845 CD ARG A 59 -11.368 4.994 -12.489 1.00 0.00 C ATOM 846 NE ARG A 59 -12.145 4.427 -13.614 1.00 0.00 N ATOM 847 CZ ARG A 59 -13.327 4.904 -14.025 1.00 0.00 C ATOM 848 NH1 ARG A 59 -13.877 5.958 -13.407 1.00 0.00 N ATOM 849 NH2 ARG A 59 -13.961 4.326 -15.055 1.00 0.00 N ATOM 0 H ARG A 59 -8.278 5.013 -8.914 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.706 5.893 -10.298 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.657 3.054 -10.184 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.381 3.362 -10.239 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.326 4.332 -12.281 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.475 3.031 -12.522 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -12.037 5.252 -11.668 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.878 5.916 -12.803 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.756 3.623 -14.107 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -13.395 6.398 -12.623 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -14.777 6.321 -13.721 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.543 3.523 -15.525 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.861 4.689 -15.368 1.00 0.00 H new ATOM 863 N LYS A 60 -11.965 5.550 -8.181 1.00 0.00 N ATOM 864 CA LYS A 60 -12.639 5.516 -6.894 1.00 0.00 C ATOM 865 C LYS A 60 -12.937 4.064 -6.517 1.00 0.00 C ATOM 866 O LYS A 60 -12.516 3.594 -5.462 1.00 0.00 O ATOM 867 CB LYS A 60 -13.878 6.414 -6.915 1.00 0.00 C ATOM 868 CG LYS A 60 -14.485 6.543 -5.516 1.00 0.00 C ATOM 869 CD LYS A 60 -15.866 7.197 -5.576 1.00 0.00 C ATOM 870 CE LYS A 60 -16.634 6.978 -4.271 1.00 0.00 C ATOM 871 NZ LYS A 60 -18.025 7.467 -4.400 1.00 0.00 N ATOM 0 H LYS A 60 -12.476 6.037 -8.918 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.994 5.921 -6.115 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.610 7.401 -7.291 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.619 6.002 -7.600 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.565 5.557 -5.058 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.825 7.136 -4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.758 8.265 -5.764 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.433 6.782 -6.410 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -16.637 5.918 -4.017 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.133 7.499 -3.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.532 7.311 -3.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -18.017 8.483 -4.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.505 6.951 -5.165 1.00 0.00 H new ATOM 885 N GLU A 61 -13.662 3.394 -7.401 1.00 0.00 N ATOM 886 CA GLU A 61 -14.022 2.004 -7.175 1.00 0.00 C ATOM 887 C GLU A 61 -12.798 1.207 -6.720 1.00 0.00 C ATOM 888 O GLU A 61 -12.850 0.506 -5.710 1.00 0.00 O ATOM 889 CB GLU A 61 -14.643 1.387 -8.430 1.00 0.00 C ATOM 890 CG GLU A 61 -16.127 1.742 -8.538 1.00 0.00 C ATOM 891 CD GLU A 61 -16.654 1.472 -9.949 1.00 0.00 C ATOM 892 OE1 GLU A 61 -16.222 2.204 -10.865 1.00 0.00 O ATOM 893 OE2 GLU A 61 -17.477 0.540 -10.078 1.00 0.00 O ATOM 0 H GLU A 61 -14.010 3.788 -8.275 1.00 0.00 H new ATOM 0 HA GLU A 61 -14.771 1.967 -6.384 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -14.115 1.743 -9.314 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.525 0.304 -8.403 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.698 1.159 -7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.273 2.793 -8.286 1.00 0.00 H new ATOM 900 N ASP A 62 -11.726 1.339 -7.487 1.00 0.00 N ATOM 901 CA ASP A 62 -10.491 0.640 -7.175 1.00 0.00 C ATOM 902 C ASP A 62 -10.179 0.804 -5.686 1.00 0.00 C ATOM 903 O ASP A 62 -9.909 -0.176 -4.993 1.00 0.00 O ATOM 904 CB ASP A 62 -9.317 1.213 -7.971 1.00 0.00 C ATOM 905 CG ASP A 62 -9.273 0.803 -9.444 1.00 0.00 C ATOM 906 OD1 ASP A 62 -10.172 0.035 -9.847 1.00 0.00 O ATOM 907 OD2 ASP A 62 -8.340 1.268 -10.135 1.00 0.00 O ATOM 0 H ASP A 62 -11.687 1.920 -8.324 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.623 -0.410 -7.435 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.355 2.301 -7.913 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.388 0.901 -7.495 1.00 0.00 H new ATOM 912 N MET A 63 -10.225 2.050 -5.239 1.00 0.00 N ATOM 913 CA MET A 63 -9.951 2.355 -3.845 1.00 0.00 C ATOM 914 C MET A 63 -10.803 1.489 -2.916 1.00 0.00 C ATOM 915 O MET A 63 -10.270 0.711 -2.125 1.00 0.00 O ATOM 916 CB MET A 63 -10.246 3.833 -3.578 1.00 0.00 C ATOM 917 CG MET A 63 -9.707 4.261 -2.212 1.00 0.00 C ATOM 918 SD MET A 63 -10.064 5.987 -1.928 1.00 0.00 S ATOM 919 CE MET A 63 -11.763 6.046 -2.474 1.00 0.00 C ATOM 0 H MET A 63 -10.448 2.860 -5.817 1.00 0.00 H new ATOM 0 HA MET A 63 -8.900 2.143 -3.646 1.00 0.00 H new ATOM 0 HB2 MET A 63 -9.794 4.445 -4.359 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.321 4.006 -3.619 1.00 0.00 H new ATOM 0 HG2 MET A 63 -10.158 3.654 -1.427 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.631 4.091 -2.167 1.00 0.00 H new ATOM 0 HE1 MET A 63 -12.265 6.894 -2.009 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.793 6.156 -3.558 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.269 5.124 -2.189 1.00 0.00 H new ATOM 929 N GLU A 64 -12.112 1.652 -3.041 1.00 0.00 N ATOM 930 CA GLU A 64 -13.042 0.894 -2.222 1.00 0.00 C ATOM 931 C GLU A 64 -12.847 -0.607 -2.447 1.00 0.00 C ATOM 932 O GLU A 64 -12.822 -1.383 -1.493 1.00 0.00 O ATOM 933 CB GLU A 64 -14.487 1.307 -2.509 1.00 0.00 C ATOM 934 CG GLU A 64 -14.691 2.802 -2.255 1.00 0.00 C ATOM 935 CD GLU A 64 -16.158 3.113 -1.953 1.00 0.00 C ATOM 936 OE1 GLU A 64 -16.779 2.288 -1.248 1.00 0.00 O ATOM 937 OE2 GLU A 64 -16.626 4.167 -2.433 1.00 0.00 O ATOM 0 H GLU A 64 -12.550 2.298 -3.697 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.836 1.115 -1.175 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.737 1.073 -3.544 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.165 0.732 -1.879 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.069 3.120 -1.419 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.368 3.370 -3.127 1.00 0.00 H new ATOM 944 N TYR A 65 -12.712 -0.970 -3.714 1.00 0.00 N ATOM 945 CA TYR A 65 -12.519 -2.364 -4.076 1.00 0.00 C ATOM 946 C TYR A 65 -11.397 -2.995 -3.248 1.00 0.00 C ATOM 947 O TYR A 65 -11.639 -3.915 -2.468 1.00 0.00 O ATOM 948 CB TYR A 65 -12.111 -2.365 -5.550 1.00 0.00 C ATOM 949 CG TYR A 65 -11.720 -3.743 -6.087 1.00 0.00 C ATOM 950 CD1 TYR A 65 -10.458 -4.247 -5.841 1.00 0.00 C ATOM 951 CD2 TYR A 65 -12.627 -4.482 -6.818 1.00 0.00 C ATOM 952 CE1 TYR A 65 -10.090 -5.544 -6.347 1.00 0.00 C ATOM 953 CE2 TYR A 65 -12.259 -5.779 -7.323 1.00 0.00 C ATOM 954 CZ TYR A 65 -11.008 -6.246 -7.062 1.00 0.00 C ATOM 955 OH TYR A 65 -10.660 -7.471 -7.540 1.00 0.00 O ATOM 0 H TYR A 65 -12.732 -0.323 -4.502 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.428 -2.937 -3.894 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -12.937 -1.976 -6.145 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.272 -1.683 -5.684 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.747 -3.669 -5.269 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -13.614 -4.087 -7.012 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.106 -5.950 -6.162 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.960 -6.368 -7.896 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.415 -7.857 -8.031 1.00 0.00 H new ATOM 965 N ALA A 66 -10.195 -2.476 -3.448 1.00 0.00 N ATOM 966 CA ALA A 66 -9.035 -2.977 -2.730 1.00 0.00 C ATOM 967 C ALA A 66 -9.273 -2.839 -1.225 1.00 0.00 C ATOM 968 O ALA A 66 -8.896 -3.716 -0.450 1.00 0.00 O ATOM 969 CB ALA A 66 -7.784 -2.228 -3.193 1.00 0.00 C ATOM 0 H ALA A 66 -9.999 -1.714 -4.097 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.879 -4.034 -2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.914 -2.604 -2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.643 -2.382 -4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.902 -1.163 -2.992 1.00 0.00 H new ATOM 975 N LEU A 67 -9.898 -1.730 -0.856 1.00 0.00 N ATOM 976 CA LEU A 67 -10.190 -1.465 0.542 1.00 0.00 C ATOM 977 C LEU A 67 -10.890 -2.682 1.151 1.00 0.00 C ATOM 978 O LEU A 67 -10.415 -3.249 2.134 1.00 0.00 O ATOM 979 CB LEU A 67 -10.982 -0.164 0.687 1.00 0.00 C ATOM 980 CG LEU A 67 -10.157 1.124 0.712 1.00 0.00 C ATOM 981 CD1 LEU A 67 -11.054 2.353 0.553 1.00 0.00 C ATOM 982 CD2 LEU A 67 -9.298 1.201 1.976 1.00 0.00 C ATOM 0 H LEU A 67 -10.210 -1.005 -1.502 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.267 -1.313 1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.693 -0.101 -0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.564 -0.217 1.607 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.476 1.110 -0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.442 3.255 0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.584 2.296 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.776 2.385 1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.722 2.126 1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.942 1.182 2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.618 0.350 2.006 1.00 0.00 H new ATOM 994 N ARG A 68 -12.009 -3.047 0.543 1.00 0.00 N ATOM 995 CA ARG A 68 -12.779 -4.186 1.013 1.00 0.00 C ATOM 996 C ARG A 68 -12.063 -5.492 0.663 1.00 0.00 C ATOM 997 O ARG A 68 -11.602 -6.208 1.550 1.00 0.00 O ATOM 998 CB ARG A 68 -14.179 -4.198 0.394 1.00 0.00 C ATOM 999 CG ARG A 68 -14.879 -2.853 0.596 1.00 0.00 C ATOM 1000 CD ARG A 68 -15.143 -2.589 2.080 1.00 0.00 C ATOM 1001 NE ARG A 68 -14.181 -1.590 2.595 1.00 0.00 N ATOM 1002 CZ ARG A 68 -14.302 -0.971 3.778 1.00 0.00 C ATOM 1003 NH1 ARG A 68 -15.344 -1.245 4.574 1.00 0.00 N ATOM 1004 NH2 ARG A 68 -13.380 -0.078 4.164 1.00 0.00 N ATOM 0 H ARG A 68 -12.401 -2.574 -0.271 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.873 -4.098 2.095 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.108 -4.419 -0.671 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.773 -4.993 0.845 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -14.263 -2.053 0.185 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.821 -2.844 0.048 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -16.163 -2.229 2.218 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -15.053 -3.517 2.645 1.00 0.00 H new ATOM 0 HE ARG A 68 -13.376 -1.358 2.014 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -16.045 -1.925 4.280 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.436 -0.774 5.474 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.587 0.130 3.558 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.472 0.393 5.064 1.00 0.00 H new ATOM 1018 N LYS A 69 -11.993 -5.762 -0.632 1.00 0.00 N ATOM 1019 CA LYS A 69 -11.341 -6.970 -1.110 1.00 0.00 C ATOM 1020 C LYS A 69 -10.151 -7.294 -0.205 1.00 0.00 C ATOM 1021 O LYS A 69 -10.106 -8.358 0.410 1.00 0.00 O ATOM 1022 CB LYS A 69 -10.969 -6.829 -2.588 1.00 0.00 C ATOM 1023 CG LYS A 69 -12.131 -7.252 -3.488 1.00 0.00 C ATOM 1024 CD LYS A 69 -13.253 -6.212 -3.461 1.00 0.00 C ATOM 1025 CE LYS A 69 -14.375 -6.590 -4.430 1.00 0.00 C ATOM 1026 NZ LYS A 69 -15.649 -6.777 -3.701 1.00 0.00 N ATOM 0 H LYS A 69 -12.377 -5.166 -1.365 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.023 -7.818 -1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.697 -5.795 -2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.094 -7.441 -2.806 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.775 -7.382 -4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.517 -8.217 -3.160 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.653 -6.130 -2.450 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.853 -5.233 -3.726 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.491 -5.810 -5.183 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.114 -7.507 -4.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.400 -7.033 -4.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.539 -7.537 -2.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.905 -5.893 -3.217 1.00 0.00 H new ATOM 1040 N LEU A 70 -9.216 -6.356 -0.151 1.00 0.00 N ATOM 1041 CA LEU A 70 -8.029 -6.529 0.669 1.00 0.00 C ATOM 1042 C LEU A 70 -8.430 -6.533 2.145 1.00 0.00 C ATOM 1043 O LEU A 70 -8.244 -7.531 2.840 1.00 0.00 O ATOM 1044 CB LEU A 70 -6.978 -5.473 0.320 1.00 0.00 C ATOM 1045 CG LEU A 70 -6.705 -5.265 -1.171 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -5.787 -4.063 -1.398 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -6.149 -6.540 -1.809 1.00 0.00 C ATOM 0 H LEU A 70 -9.257 -5.474 -0.662 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.561 -7.492 0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.292 -4.521 0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.041 -5.747 0.806 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.652 -5.044 -1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.609 -3.938 -2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.259 -3.164 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.838 -4.229 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.964 -6.365 -2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.216 -6.815 -1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.871 -7.348 -1.695 1.00 0.00 H new ATOM 1059 N ASP A 71 -8.974 -5.406 2.581 1.00 0.00 N ATOM 1060 CA ASP A 71 -9.404 -5.268 3.962 1.00 0.00 C ATOM 1061 C ASP A 71 -8.742 -6.357 4.809 1.00 0.00 C ATOM 1062 O ASP A 71 -9.307 -7.435 4.991 1.00 0.00 O ATOM 1063 CB ASP A 71 -10.920 -5.428 4.086 1.00 0.00 C ATOM 1064 CG ASP A 71 -11.471 -5.289 5.507 1.00 0.00 C ATOM 1065 OD1 ASP A 71 -11.285 -4.196 6.083 1.00 0.00 O ATOM 1066 OD2 ASP A 71 -12.066 -6.279 5.984 1.00 0.00 O ATOM 0 H ASP A 71 -9.127 -4.580 2.002 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.118 -4.274 4.306 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.402 -4.684 3.451 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.200 -6.407 3.698 1.00 0.00 H new ATOM 1071 N ASP A 72 -7.556 -6.038 5.304 1.00 0.00 N ATOM 1072 CA ASP A 72 -6.812 -6.976 6.128 1.00 0.00 C ATOM 1073 C ASP A 72 -6.427 -8.194 5.285 1.00 0.00 C ATOM 1074 O ASP A 72 -7.274 -9.031 4.976 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.656 -7.463 7.307 1.00 0.00 C ATOM 1076 CG ASP A 72 -6.872 -8.167 8.416 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -5.660 -7.878 8.526 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -7.501 -8.977 9.130 1.00 0.00 O ATOM 0 H ASP A 72 -7.091 -5.143 5.151 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.927 -6.465 6.506 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.178 -6.609 7.738 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.418 -8.146 6.931 1.00 0.00 H new ATOM 1083 N THR A 73 -5.150 -8.254 4.938 1.00 0.00 N ATOM 1084 CA THR A 73 -4.644 -9.356 4.138 1.00 0.00 C ATOM 1085 C THR A 73 -3.260 -9.781 4.632 1.00 0.00 C ATOM 1086 O THR A 73 -2.701 -9.162 5.536 1.00 0.00 O ATOM 1087 CB THR A 73 -4.658 -8.920 2.671 1.00 0.00 C ATOM 1088 OG1 THR A 73 -4.182 -7.577 2.703 1.00 0.00 O ATOM 1089 CG2 THR A 73 -6.076 -8.799 2.110 1.00 0.00 C ATOM 0 H THR A 73 -4.451 -7.558 5.196 1.00 0.00 H new ATOM 0 HA THR A 73 -5.275 -10.239 4.236 1.00 0.00 H new ATOM 0 HB THR A 73 -4.091 -9.635 2.075 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.157 -7.217 1.792 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.029 -8.487 1.067 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.578 -9.764 2.178 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.633 -8.059 2.685 1.00 0.00 H new ATOM 1097 N LYS A 74 -2.746 -10.836 4.017 1.00 0.00 N ATOM 1098 CA LYS A 74 -1.438 -11.352 4.383 1.00 0.00 C ATOM 1099 C LYS A 74 -0.400 -10.864 3.370 1.00 0.00 C ATOM 1100 O LYS A 74 -0.260 -11.441 2.292 1.00 0.00 O ATOM 1101 CB LYS A 74 -1.484 -12.875 4.530 1.00 0.00 C ATOM 1102 CG LYS A 74 -0.075 -13.455 4.669 1.00 0.00 C ATOM 1103 CD LYS A 74 -0.126 -14.964 4.920 1.00 0.00 C ATOM 1104 CE LYS A 74 0.490 -15.735 3.751 1.00 0.00 C ATOM 1105 NZ LYS A 74 0.773 -17.133 4.145 1.00 0.00 N ATOM 0 H LYS A 74 -3.212 -11.348 3.268 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.137 -10.969 5.358 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.079 -13.142 5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.978 -13.313 3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.497 -13.252 3.763 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.445 -12.963 5.491 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.409 -15.202 5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.160 -15.278 5.063 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.191 -15.721 2.900 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.411 -15.247 3.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.191 -17.643 3.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.439 -17.141 4.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.112 -17.600 4.429 1.00 0.00 H new ATOM 1119 N PHE A 75 0.301 -9.806 3.752 1.00 0.00 N ATOM 1120 CA PHE A 75 1.321 -9.234 2.890 1.00 0.00 C ATOM 1121 C PHE A 75 2.658 -9.955 3.070 1.00 0.00 C ATOM 1122 O PHE A 75 3.090 -10.199 4.196 1.00 0.00 O ATOM 1123 CB PHE A 75 1.486 -7.770 3.303 1.00 0.00 C ATOM 1124 CG PHE A 75 2.545 -7.012 2.500 1.00 0.00 C ATOM 1125 CD1 PHE A 75 2.560 -7.099 1.143 1.00 0.00 C ATOM 1126 CD2 PHE A 75 3.471 -6.251 3.143 1.00 0.00 C ATOM 1127 CE1 PHE A 75 3.542 -6.395 0.397 1.00 0.00 C ATOM 1128 CE2 PHE A 75 4.453 -5.548 2.398 1.00 0.00 C ATOM 1129 CZ PHE A 75 4.468 -5.635 1.041 1.00 0.00 C ATOM 0 H PHE A 75 0.182 -9.330 4.647 1.00 0.00 H new ATOM 0 HA PHE A 75 1.023 -9.332 1.846 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.528 -7.262 3.192 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.748 -7.729 4.360 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.825 -7.704 0.633 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.459 -6.182 4.221 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.554 -6.463 -0.681 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.188 -4.944 2.909 1.00 0.00 H new ATOM 0 HZ PHE A 75 5.216 -5.100 0.474 1.00 0.00 H new ATOM 1139 N ARG A 76 3.277 -10.277 1.944 1.00 0.00 N ATOM 1140 CA ARG A 76 4.556 -10.966 1.963 1.00 0.00 C ATOM 1141 C ARG A 76 5.677 -10.016 1.537 1.00 0.00 C ATOM 1142 O ARG A 76 5.722 -9.578 0.388 1.00 0.00 O ATOM 1143 CB ARG A 76 4.543 -12.179 1.030 1.00 0.00 C ATOM 1144 CG ARG A 76 5.786 -13.045 1.239 1.00 0.00 C ATOM 1145 CD ARG A 76 5.809 -14.218 0.256 1.00 0.00 C ATOM 1146 NE ARG A 76 7.169 -14.383 -0.303 1.00 0.00 N ATOM 1147 CZ ARG A 76 7.663 -13.645 -1.307 1.00 0.00 C ATOM 1148 NH1 ARG A 76 6.911 -12.688 -1.868 1.00 0.00 N ATOM 1149 NH2 ARG A 76 8.908 -13.865 -1.751 1.00 0.00 N ATOM 0 H ARG A 76 2.916 -10.073 1.012 1.00 0.00 H new ATOM 0 HA ARG A 76 4.733 -11.308 2.983 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.647 -12.773 1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.499 -11.845 -0.006 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.682 -12.439 1.108 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.803 -13.422 2.261 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.501 -15.133 0.762 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.095 -14.043 -0.549 1.00 0.00 H new ATOM 0 HE ARG A 76 7.768 -15.103 0.101 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.963 -12.521 -1.531 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.287 -12.126 -2.632 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.480 -14.594 -1.325 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.284 -13.303 -2.515 1.00 0.00 H new ATOM 1163 N SER A 77 6.555 -9.725 2.486 1.00 0.00 N ATOM 1164 CA SER A 77 7.673 -8.834 2.223 1.00 0.00 C ATOM 1165 C SER A 77 8.669 -9.509 1.278 1.00 0.00 C ATOM 1166 O SER A 77 8.484 -10.664 0.898 1.00 0.00 O ATOM 1167 CB SER A 77 8.369 -8.425 3.523 1.00 0.00 C ATOM 1168 OG SER A 77 8.732 -9.555 4.312 1.00 0.00 O ATOM 0 H SER A 77 6.515 -10.090 3.438 1.00 0.00 H new ATOM 0 HA SER A 77 7.287 -7.931 1.750 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.261 -7.844 3.289 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.709 -7.777 4.100 1.00 0.00 H new ATOM 0 HG SER A 77 7.937 -9.907 4.764 1.00 0.00 H new ATOM 1174 N HIS A 78 9.703 -8.759 0.925 1.00 0.00 N ATOM 1175 CA HIS A 78 10.728 -9.271 0.031 1.00 0.00 C ATOM 1176 C HIS A 78 11.640 -10.234 0.794 1.00 0.00 C ATOM 1177 O HIS A 78 12.396 -10.991 0.187 1.00 0.00 O ATOM 1178 CB HIS A 78 11.496 -8.123 -0.628 1.00 0.00 C ATOM 1179 CG HIS A 78 12.709 -7.671 0.148 1.00 0.00 C ATOM 1180 ND1 HIS A 78 12.947 -7.636 1.491 1.00 0.00 N flip ATOM 1181 CD2 HIS A 78 13.851 -7.184 -0.463 1.00 0.00 C flip ATOM 1182 CE1 HIS A 78 14.168 -7.156 1.689 1.00 0.00 C flip ATOM 1183 NE2 HIS A 78 14.730 -6.874 0.478 1.00 0.00 N flip ATOM 0 H HIS A 78 9.853 -7.801 1.242 1.00 0.00 H new ATOM 0 HA HIS A 78 10.262 -9.832 -0.779 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.810 -8.434 -1.624 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.823 -7.275 -0.756 1.00 0.00 H new ATOM 0 HD2 HIS A 78 14.000 -7.075 -1.527 1.00 0.00 H new ATOM 0 HE1 HIS A 78 14.639 -7.012 2.650 1.00 0.00 H new ATOM 0 HE2 HIS A 78 15.663 -6.492 0.324 1.00 0.00 H new ATOM 1191 N GLU A 79 11.539 -10.173 2.114 1.00 0.00 N ATOM 1192 CA GLU A 79 12.345 -11.030 2.966 1.00 0.00 C ATOM 1193 C GLU A 79 11.607 -12.340 3.253 1.00 0.00 C ATOM 1194 O GLU A 79 12.131 -13.214 3.942 1.00 0.00 O ATOM 1195 CB GLU A 79 12.719 -10.316 4.266 1.00 0.00 C ATOM 1196 CG GLU A 79 14.032 -9.545 4.110 1.00 0.00 C ATOM 1197 CD GLU A 79 15.235 -10.483 4.220 1.00 0.00 C ATOM 1198 OE1 GLU A 79 15.533 -11.146 3.203 1.00 0.00 O ATOM 1199 OE2 GLU A 79 15.830 -10.516 5.319 1.00 0.00 O ATOM 0 H GLU A 79 10.911 -9.543 2.614 1.00 0.00 H new ATOM 0 HA GLU A 79 13.270 -11.265 2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.922 -9.629 4.550 1.00 0.00 H new ATOM 0 HB3 GLU A 79 12.814 -11.045 5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 79 14.048 -9.039 3.145 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.097 -8.772 4.876 1.00 0.00 H new ATOM 1206 N GLY A 80 10.402 -12.434 2.710 1.00 0.00 N ATOM 1207 CA GLY A 80 9.587 -13.621 2.899 1.00 0.00 C ATOM 1208 C GLY A 80 8.621 -13.443 4.072 1.00 0.00 C ATOM 1209 O GLY A 80 7.523 -13.997 4.067 1.00 0.00 O ATOM 0 H GLY A 80 9.971 -11.707 2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.025 -13.829 1.989 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.230 -14.482 3.080 1.00 0.00 H new ATOM 1213 N GLU A 81 9.066 -12.667 5.049 1.00 0.00 N ATOM 1214 CA GLU A 81 8.255 -12.408 6.227 1.00 0.00 C ATOM 1215 C GLU A 81 6.849 -11.966 5.816 1.00 0.00 C ATOM 1216 O GLU A 81 6.689 -11.167 4.895 1.00 0.00 O ATOM 1217 CB GLU A 81 8.916 -11.364 7.129 1.00 0.00 C ATOM 1218 CG GLU A 81 9.901 -12.021 8.098 1.00 0.00 C ATOM 1219 CD GLU A 81 10.822 -10.979 8.734 1.00 0.00 C ATOM 1220 OE1 GLU A 81 10.328 -10.249 9.620 1.00 0.00 O ATOM 1221 OE2 GLU A 81 12.001 -10.935 8.320 1.00 0.00 O ATOM 0 H GLU A 81 9.977 -12.209 5.049 1.00 0.00 H new ATOM 0 HA GLU A 81 8.172 -13.333 6.798 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.438 -10.628 6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.151 -10.827 7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.352 -12.550 8.877 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.497 -12.764 7.568 1.00 0.00 H new ATOM 1228 N THR A 82 5.864 -12.506 6.521 1.00 0.00 N ATOM 1229 CA THR A 82 4.477 -12.177 6.241 1.00 0.00 C ATOM 1230 C THR A 82 3.818 -11.553 7.472 1.00 0.00 C ATOM 1231 O THR A 82 4.075 -11.974 8.599 1.00 0.00 O ATOM 1232 CB THR A 82 3.778 -13.449 5.757 1.00 0.00 C ATOM 1233 OG1 THR A 82 4.154 -14.437 6.714 1.00 0.00 O ATOM 1234 CG2 THR A 82 4.355 -13.969 4.439 1.00 0.00 C ATOM 0 H THR A 82 6.000 -13.168 7.285 1.00 0.00 H new ATOM 0 HA THR A 82 4.400 -11.427 5.454 1.00 0.00 H new ATOM 0 HB THR A 82 2.713 -13.254 5.635 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.743 -15.295 6.478 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.824 -14.873 4.141 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.240 -13.209 3.666 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.413 -14.197 4.570 1.00 0.00 H new ATOM 1242 N SER A 83 2.981 -10.558 7.216 1.00 0.00 N ATOM 1243 CA SER A 83 2.284 -9.871 8.289 1.00 0.00 C ATOM 1244 C SER A 83 0.862 -9.518 7.848 1.00 0.00 C ATOM 1245 O SER A 83 0.495 -9.734 6.694 1.00 0.00 O ATOM 1246 CB SER A 83 3.036 -8.609 8.716 1.00 0.00 C ATOM 1247 OG SER A 83 4.116 -8.904 9.598 1.00 0.00 O ATOM 0 H SER A 83 2.770 -10.211 6.280 1.00 0.00 H new ATOM 0 HA SER A 83 2.236 -10.540 9.148 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.419 -8.098 7.832 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.345 -7.923 9.206 1.00 0.00 H new ATOM 0 HG SER A 83 4.344 -9.855 9.530 1.00 0.00 H new ATOM 1253 N TYR A 84 0.101 -8.980 8.789 1.00 0.00 N ATOM 1254 CA TYR A 84 -1.273 -8.594 8.512 1.00 0.00 C ATOM 1255 C TYR A 84 -1.406 -7.073 8.413 1.00 0.00 C ATOM 1256 O TYR A 84 -1.129 -6.358 9.375 1.00 0.00 O ATOM 1257 CB TYR A 84 -2.098 -9.091 9.700 1.00 0.00 C ATOM 1258 CG TYR A 84 -2.576 -10.538 9.565 1.00 0.00 C ATOM 1259 CD1 TYR A 84 -3.063 -10.993 8.357 1.00 0.00 C ATOM 1260 CD2 TYR A 84 -2.520 -11.388 10.651 1.00 0.00 C ATOM 1261 CE1 TYR A 84 -3.513 -12.356 8.229 1.00 0.00 C ATOM 1262 CE2 TYR A 84 -2.969 -12.750 10.523 1.00 0.00 C ATOM 1263 CZ TYR A 84 -3.444 -13.166 9.319 1.00 0.00 C ATOM 1264 OH TYR A 84 -3.869 -14.453 9.199 1.00 0.00 O ATOM 0 H TYR A 84 0.409 -8.802 9.745 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.607 -9.018 7.565 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.501 -9.000 10.607 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.966 -8.443 9.823 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.107 -10.328 7.507 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -2.139 -11.031 11.597 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -3.896 -12.726 7.289 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -2.929 -13.426 11.364 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.760 -14.915 10.057 1.00 0.00 H new ATOM 1274 N ILE A 85 -1.830 -6.623 7.241 1.00 0.00 N ATOM 1275 CA ILE A 85 -2.004 -5.200 7.005 1.00 0.00 C ATOM 1276 C ILE A 85 -3.463 -4.923 6.636 1.00 0.00 C ATOM 1277 O ILE A 85 -4.044 -5.629 5.813 1.00 0.00 O ATOM 1278 CB ILE A 85 -1.001 -4.704 5.961 1.00 0.00 C ATOM 1279 CG1 ILE A 85 -1.090 -5.533 4.678 1.00 0.00 C ATOM 1280 CG2 ILE A 85 0.418 -4.682 6.532 1.00 0.00 C ATOM 1281 CD1 ILE A 85 -0.612 -4.725 3.470 1.00 0.00 C ATOM 0 H ILE A 85 -2.058 -7.219 6.445 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.791 -4.634 7.912 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.259 -3.678 5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.485 -6.434 4.780 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.119 -5.856 4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.111 -4.326 5.770 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.453 -4.016 7.394 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.702 -5.688 6.839 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.685 -5.337 2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.234 -3.837 3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.425 -4.424 3.621 1.00 0.00 H new ATOM 1293 N ARG A 86 -4.013 -3.893 7.262 1.00 0.00 N ATOM 1294 CA ARG A 86 -5.392 -3.514 7.010 1.00 0.00 C ATOM 1295 C ARG A 86 -5.458 -2.445 5.917 1.00 0.00 C ATOM 1296 O ARG A 86 -4.473 -1.755 5.658 1.00 0.00 O ATOM 1297 CB ARG A 86 -6.057 -2.977 8.279 1.00 0.00 C ATOM 1298 CG ARG A 86 -6.962 -4.035 8.913 1.00 0.00 C ATOM 1299 CD ARG A 86 -8.436 -3.643 8.787 1.00 0.00 C ATOM 1300 NE ARG A 86 -8.959 -3.209 10.101 1.00 0.00 N ATOM 1301 CZ ARG A 86 -9.115 -4.024 11.154 1.00 0.00 C ATOM 1302 NH1 ARG A 86 -8.790 -5.320 11.052 1.00 0.00 N ATOM 1303 NH2 ARG A 86 -9.597 -3.542 12.308 1.00 0.00 N ATOM 0 H ARG A 86 -3.528 -3.309 7.943 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.926 -4.406 6.683 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.292 -2.672 8.993 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.642 -2.089 8.040 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.796 -4.998 8.430 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.703 -4.157 9.965 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.546 -2.839 8.059 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.015 -4.489 8.417 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.217 -2.229 10.213 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.424 -5.686 10.173 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.909 -5.940 11.853 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.845 -2.556 12.385 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.716 -4.162 13.109 1.00 0.00 H new ATOM 1317 N VAL A 87 -6.628 -2.340 5.305 1.00 0.00 N ATOM 1318 CA VAL A 87 -6.835 -1.367 4.246 1.00 0.00 C ATOM 1319 C VAL A 87 -8.018 -0.467 4.611 1.00 0.00 C ATOM 1320 O VAL A 87 -9.159 -0.923 4.656 1.00 0.00 O ATOM 1321 CB VAL A 87 -7.019 -2.082 2.906 1.00 0.00 C ATOM 1322 CG1 VAL A 87 -6.583 -1.189 1.743 1.00 0.00 C ATOM 1323 CG2 VAL A 87 -6.266 -3.414 2.888 1.00 0.00 C ATOM 0 H VAL A 87 -7.443 -2.913 5.522 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.959 -0.727 4.139 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.081 -2.296 2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.724 -1.722 0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.183 -0.279 1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.531 -0.929 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.413 -3.902 1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.203 -3.233 3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.645 -4.057 3.682 1.00 0.00 H new ATOM 1333 N TYR A 88 -7.704 0.796 4.862 1.00 0.00 N ATOM 1334 CA TYR A 88 -8.726 1.764 5.221 1.00 0.00 C ATOM 1335 C TYR A 88 -8.491 3.098 4.510 1.00 0.00 C ATOM 1336 O TYR A 88 -7.376 3.388 4.078 1.00 0.00 O ATOM 1337 CB TYR A 88 -8.595 1.974 6.731 1.00 0.00 C ATOM 1338 CG TYR A 88 -7.182 2.340 7.188 1.00 0.00 C ATOM 1339 CD1 TYR A 88 -6.199 1.371 7.234 1.00 0.00 C ATOM 1340 CD2 TYR A 88 -6.889 3.637 7.556 1.00 0.00 C ATOM 1341 CE1 TYR A 88 -4.869 1.715 7.664 1.00 0.00 C ATOM 1342 CE2 TYR A 88 -5.559 3.981 7.987 1.00 0.00 C ATOM 1343 CZ TYR A 88 -4.614 3.003 8.019 1.00 0.00 C ATOM 1344 OH TYR A 88 -3.358 3.327 8.426 1.00 0.00 O ATOM 0 H TYR A 88 -6.756 1.171 4.824 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.714 1.405 4.933 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.281 2.763 7.039 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.907 1.063 7.243 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.428 0.355 6.947 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.658 4.395 7.521 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.091 0.967 7.704 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.317 4.992 8.278 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.331 3.367 9.405 1.00 0.00 H new ATOM 1354 N PRO A 89 -9.588 3.896 4.408 1.00 0.00 N ATOM 1355 CA PRO A 89 -9.512 5.192 3.757 1.00 0.00 C ATOM 1356 C PRO A 89 -8.809 6.215 4.651 1.00 0.00 C ATOM 1357 O PRO A 89 -8.384 5.888 5.758 1.00 0.00 O ATOM 1358 CB PRO A 89 -10.954 5.563 3.450 1.00 0.00 C ATOM 1359 CG PRO A 89 -11.810 4.687 4.350 1.00 0.00 C ATOM 1360 CD PRO A 89 -10.924 3.585 4.908 1.00 0.00 C ATOM 0 HA PRO A 89 -8.917 5.170 2.844 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.136 6.620 3.646 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.187 5.389 2.399 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.241 5.277 5.159 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -12.642 4.261 3.789 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -10.946 3.572 5.998 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -11.254 2.602 4.571 1.00 0.00 H new ATOM 1368 N GLU A 90 -8.709 7.433 4.138 1.00 0.00 N ATOM 1369 CA GLU A 90 -8.065 8.505 4.877 1.00 0.00 C ATOM 1370 C GLU A 90 -9.076 9.203 5.790 1.00 0.00 C ATOM 1371 O GLU A 90 -10.244 9.347 5.433 1.00 0.00 O ATOM 1372 CB GLU A 90 -7.404 9.506 3.927 1.00 0.00 C ATOM 1373 CG GLU A 90 -7.096 10.822 4.644 1.00 0.00 C ATOM 1374 CD GLU A 90 -5.870 11.504 4.033 1.00 0.00 C ATOM 1375 OE1 GLU A 90 -5.047 10.772 3.443 1.00 0.00 O ATOM 1376 OE2 GLU A 90 -5.784 12.744 4.170 1.00 0.00 O ATOM 0 H GLU A 90 -9.063 7.701 3.220 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.282 8.071 5.499 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.483 9.081 3.529 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.061 9.695 3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.957 11.487 4.578 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.921 10.631 5.703 1.00 0.00 H new