USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=18 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 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 88 TYR OH : rot 180:sc= -1.16 USER MOD Set 2.1: A 35 HIS : no HE2:sc= -0.85 X(o=-0.74,f=-0.47) USER MOD Set 2.2: A 73 THR OG1 : rot 152:sc= 0.111 USER MOD Set 3.1: A 36 MET CE :methyl -161:sc= -10! (180deg=-12.4!) USER MOD Set 3.2: A 57 TYR OH : rot -7:sc= -1.01 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 140:sc= -0.0282 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) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot -15:sc= 0.291 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0211 X(o=-0.021,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 151:sc= -7.54! (180deg=-11.5!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 165:sc= -1.03 (180deg=-2.01!) 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 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 158:sc= -0.664 USER MOD Single : A 78 HIS :FLIP no HD1:sc= -0.516 F(o=-1.1,f=-0.52) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -18:sc= 0.51 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 186 N PHE A 16 -8.100 9.321 -4.181 1.00 0.00 N ATOM 187 CA PHE A 16 -8.584 8.037 -3.704 1.00 0.00 C ATOM 188 C PHE A 16 -7.421 7.086 -3.413 1.00 0.00 C ATOM 189 O PHE A 16 -6.976 6.355 -4.297 1.00 0.00 O ATOM 190 CB PHE A 16 -9.447 7.442 -4.819 1.00 0.00 C ATOM 191 CG PHE A 16 -10.533 8.387 -5.336 1.00 0.00 C ATOM 192 CD1 PHE A 16 -11.506 8.831 -4.495 1.00 0.00 C ATOM 193 CD2 PHE A 16 -10.527 8.784 -6.637 1.00 0.00 C ATOM 194 CE1 PHE A 16 -12.514 9.708 -4.975 1.00 0.00 C ATOM 195 CE2 PHE A 16 -11.535 9.661 -7.117 1.00 0.00 C ATOM 196 CZ PHE A 16 -12.507 10.105 -6.276 1.00 0.00 C ATOM 0 HA PHE A 16 -9.148 8.172 -2.781 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.802 7.156 -5.650 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.918 6.530 -4.453 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -11.512 8.516 -3.462 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.755 8.432 -7.305 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.286 10.060 -4.307 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -11.530 9.976 -8.150 1.00 0.00 H new ATOM 0 HZ PHE A 16 -13.273 10.773 -6.641 1.00 0.00 H new ATOM 206 N ARG A 17 -6.962 7.127 -2.171 1.00 0.00 N ATOM 207 CA ARG A 17 -5.860 6.278 -1.752 1.00 0.00 C ATOM 208 C ARG A 17 -6.322 5.305 -0.665 1.00 0.00 C ATOM 209 O ARG A 17 -7.473 5.353 -0.233 1.00 0.00 O ATOM 210 CB ARG A 17 -4.694 7.112 -1.219 1.00 0.00 C ATOM 211 CG ARG A 17 -5.088 7.849 0.063 1.00 0.00 C ATOM 212 CD ARG A 17 -3.851 8.369 0.799 1.00 0.00 C ATOM 213 NE ARG A 17 -3.657 9.807 0.509 1.00 0.00 N ATOM 214 CZ ARG A 17 -2.728 10.573 1.097 1.00 0.00 C ATOM 215 NH1 ARG A 17 -1.902 10.043 2.009 1.00 0.00 N ATOM 216 NH2 ARG A 17 -2.625 11.869 0.772 1.00 0.00 N ATOM 0 H ARG A 17 -7.333 7.735 -1.441 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.522 5.719 -2.625 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.839 6.465 -1.023 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.382 7.832 -1.975 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.748 8.682 -0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.648 7.178 0.715 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.966 8.218 1.872 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.970 7.805 0.491 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.269 10.242 -0.182 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.980 9.056 2.256 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.195 10.626 2.457 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.254 12.272 0.077 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.918 12.452 1.219 1.00 0.00 H new ATOM 230 N VAL A 18 -5.401 4.447 -0.253 1.00 0.00 N ATOM 231 CA VAL A 18 -5.699 3.465 0.775 1.00 0.00 C ATOM 232 C VAL A 18 -4.558 3.438 1.795 1.00 0.00 C ATOM 233 O VAL A 18 -3.400 3.244 1.430 1.00 0.00 O ATOM 234 CB VAL A 18 -5.962 2.100 0.136 1.00 0.00 C ATOM 235 CG1 VAL A 18 -7.295 2.094 -0.615 1.00 0.00 C ATOM 236 CG2 VAL A 18 -4.810 1.696 -0.787 1.00 0.00 C ATOM 0 H VAL A 18 -4.447 4.411 -0.613 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.608 3.738 1.311 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.025 1.362 0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.458 1.112 -1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.105 2.316 0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.273 2.849 -1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.022 0.722 -1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.701 2.437 -1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.886 1.640 -0.212 1.00 0.00 H new ATOM 246 N LEU A 19 -4.926 3.635 3.052 1.00 0.00 N ATOM 247 CA LEU A 19 -3.948 3.636 4.127 1.00 0.00 C ATOM 248 C LEU A 19 -3.659 2.194 4.548 1.00 0.00 C ATOM 249 O LEU A 19 -4.579 1.433 4.841 1.00 0.00 O ATOM 250 CB LEU A 19 -4.415 4.531 5.276 1.00 0.00 C ATOM 251 CG LEU A 19 -4.466 6.031 4.980 1.00 0.00 C ATOM 252 CD1 LEU A 19 -4.522 6.844 6.276 1.00 0.00 C ATOM 253 CD2 LEU A 19 -3.296 6.454 4.089 1.00 0.00 C ATOM 0 H LEU A 19 -5.888 3.795 3.351 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.006 4.064 3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.410 4.207 5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.753 4.371 6.127 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.383 6.239 4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.558 7.907 6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.413 6.569 6.840 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.635 6.636 6.875 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.356 7.525 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.356 6.229 4.592 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.342 5.910 3.146 1.00 0.00 H new ATOM 265 N VAL A 20 -2.376 1.862 4.565 1.00 0.00 N ATOM 266 CA VAL A 20 -1.954 0.525 4.946 1.00 0.00 C ATOM 267 C VAL A 20 -1.160 0.598 6.252 1.00 0.00 C ATOM 268 O VAL A 20 -0.289 1.452 6.406 1.00 0.00 O ATOM 269 CB VAL A 20 -1.168 -0.121 3.804 1.00 0.00 C ATOM 270 CG1 VAL A 20 -0.328 -1.295 4.311 1.00 0.00 C ATOM 271 CG2 VAL A 20 -2.103 -0.563 2.676 1.00 0.00 C ATOM 0 H VAL A 20 -1.615 2.496 4.321 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.820 -0.112 5.127 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.487 0.628 3.401 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.221 -1.736 3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.377 -0.940 5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.982 -2.046 4.753 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.519 -1.019 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.820 -1.288 3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.637 0.303 2.286 1.00 0.00 H new ATOM 281 N SER A 21 -1.490 -0.310 7.159 1.00 0.00 N ATOM 282 CA SER A 21 -0.818 -0.360 8.447 1.00 0.00 C ATOM 283 C SER A 21 -0.613 -1.814 8.875 1.00 0.00 C ATOM 284 O SER A 21 -1.372 -2.695 8.474 1.00 0.00 O ATOM 285 CB SER A 21 -1.612 0.400 9.511 1.00 0.00 C ATOM 286 OG SER A 21 -2.630 -0.408 10.096 1.00 0.00 O ATOM 0 H SER A 21 -2.214 -1.017 7.028 1.00 0.00 H new ATOM 0 HA SER A 21 0.155 0.121 8.344 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.934 0.748 10.290 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.064 1.285 9.063 1.00 0.00 H new ATOM 0 HG SER A 21 -3.113 0.113 10.771 1.00 0.00 H new ATOM 292 N GLY A 22 0.417 -2.020 9.683 1.00 0.00 N ATOM 293 CA GLY A 22 0.731 -3.353 10.169 1.00 0.00 C ATOM 294 C GLY A 22 1.655 -4.088 9.196 1.00 0.00 C ATOM 295 O GLY A 22 1.483 -5.281 8.952 1.00 0.00 O ATOM 0 H GLY A 22 1.044 -1.287 10.013 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.207 -3.284 11.147 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.189 -3.922 10.302 1.00 0.00 H new ATOM 299 N LEU A 23 2.616 -3.345 8.667 1.00 0.00 N ATOM 300 CA LEU A 23 3.568 -3.911 7.726 1.00 0.00 C ATOM 301 C LEU A 23 4.781 -4.442 8.492 1.00 0.00 C ATOM 302 O LEU A 23 5.039 -4.024 9.620 1.00 0.00 O ATOM 303 CB LEU A 23 3.923 -2.890 6.644 1.00 0.00 C ATOM 304 CG LEU A 23 2.908 -2.734 5.510 1.00 0.00 C ATOM 305 CD1 LEU A 23 2.820 -1.278 5.049 1.00 0.00 C ATOM 306 CD2 LEU A 23 3.228 -3.683 4.353 1.00 0.00 C ATOM 0 H LEU A 23 2.756 -2.356 8.872 1.00 0.00 H new ATOM 0 HA LEU A 23 3.127 -4.758 7.200 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.059 -1.919 7.120 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.883 -3.169 6.210 1.00 0.00 H new ATOM 0 HG LEU A 23 1.925 -3.011 5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.092 -1.195 4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.510 -0.650 5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.796 -0.950 4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.491 -3.552 3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.222 -3.461 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.199 -4.713 4.709 1.00 0.00 H new ATOM 318 N PRO A 24 5.512 -5.379 7.832 1.00 0.00 N ATOM 319 CA PRO A 24 6.692 -5.972 8.439 1.00 0.00 C ATOM 320 C PRO A 24 7.868 -4.993 8.422 1.00 0.00 C ATOM 321 O PRO A 24 7.793 -3.938 7.794 1.00 0.00 O ATOM 322 CB PRO A 24 6.957 -7.233 7.633 1.00 0.00 C ATOM 323 CG PRO A 24 6.203 -7.058 6.325 1.00 0.00 C ATOM 324 CD PRO A 24 5.236 -5.898 6.496 1.00 0.00 C ATOM 0 HA PRO A 24 6.548 -6.212 9.493 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.024 -7.365 7.454 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.612 -8.118 8.168 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.897 -6.859 5.508 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.664 -7.970 6.070 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.395 -5.135 5.734 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.201 -6.228 6.406 1.00 0.00 H new ATOM 332 N PRO A 25 8.955 -5.388 9.137 1.00 0.00 N ATOM 333 CA PRO A 25 10.145 -4.558 9.210 1.00 0.00 C ATOM 334 C PRO A 25 10.939 -4.621 7.904 1.00 0.00 C ATOM 335 O PRO A 25 11.725 -3.723 7.607 1.00 0.00 O ATOM 336 CB PRO A 25 10.922 -5.088 10.404 1.00 0.00 C ATOM 337 CG PRO A 25 10.377 -6.482 10.671 1.00 0.00 C ATOM 338 CD PRO A 25 9.080 -6.631 9.893 1.00 0.00 C ATOM 0 HA PRO A 25 9.913 -3.501 9.340 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.991 -5.121 10.191 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.790 -4.444 11.273 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.097 -7.239 10.361 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.202 -6.626 11.737 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.113 -7.496 9.230 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.231 -6.774 10.562 1.00 0.00 H new ATOM 346 N SER A 26 10.705 -5.691 7.158 1.00 0.00 N ATOM 347 CA SER A 26 11.388 -5.883 5.890 1.00 0.00 C ATOM 348 C SER A 26 10.434 -5.586 4.731 1.00 0.00 C ATOM 349 O SER A 26 10.853 -5.534 3.576 1.00 0.00 O ATOM 350 CB SER A 26 11.940 -7.305 5.772 1.00 0.00 C ATOM 351 OG SER A 26 13.136 -7.478 6.527 1.00 0.00 O ATOM 0 H SER A 26 10.052 -6.434 7.408 1.00 0.00 H new ATOM 0 HA SER A 26 12.229 -5.191 5.846 1.00 0.00 H new ATOM 0 HB2 SER A 26 11.188 -8.015 6.116 1.00 0.00 H new ATOM 0 HB3 SER A 26 12.137 -7.532 4.724 1.00 0.00 H new ATOM 0 HG SER A 26 13.124 -8.356 6.963 1.00 0.00 H new ATOM 357 N GLY A 27 9.170 -5.399 5.080 1.00 0.00 N ATOM 358 CA GLY A 27 8.153 -5.109 4.084 1.00 0.00 C ATOM 359 C GLY A 27 8.513 -3.856 3.282 1.00 0.00 C ATOM 360 O GLY A 27 8.954 -2.858 3.849 1.00 0.00 O ATOM 0 H GLY A 27 8.827 -5.443 6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.046 -5.959 3.410 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.189 -4.968 4.573 1.00 0.00 H new ATOM 364 N SER A 28 8.312 -3.950 1.976 1.00 0.00 N ATOM 365 CA SER A 28 8.610 -2.837 1.091 1.00 0.00 C ATOM 366 C SER A 28 7.319 -2.309 0.462 1.00 0.00 C ATOM 367 O SER A 28 6.242 -2.857 0.692 1.00 0.00 O ATOM 368 CB SER A 28 9.601 -3.250 0.001 1.00 0.00 C ATOM 369 OG SER A 28 10.772 -3.853 0.544 1.00 0.00 O ATOM 0 H SER A 28 7.946 -4.780 1.509 1.00 0.00 H new ATOM 0 HA SER A 28 9.070 -2.044 1.681 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.118 -3.948 -0.683 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.882 -2.374 -0.584 1.00 0.00 H new ATOM 0 HG SER A 28 11.378 -4.104 -0.184 1.00 0.00 H new ATOM 375 N TRP A 29 7.470 -1.249 -0.319 1.00 0.00 N ATOM 376 CA TRP A 29 6.329 -0.640 -0.983 1.00 0.00 C ATOM 377 C TRP A 29 6.072 -1.409 -2.280 1.00 0.00 C ATOM 378 O TRP A 29 4.923 -1.599 -2.676 1.00 0.00 O ATOM 379 CB TRP A 29 6.561 0.855 -1.209 1.00 0.00 C ATOM 380 CG TRP A 29 7.861 1.178 -1.949 1.00 0.00 C ATOM 381 CD1 TRP A 29 9.019 1.608 -1.432 1.00 0.00 C ATOM 382 CD2 TRP A 29 8.088 1.079 -3.371 1.00 0.00 C ATOM 383 NE1 TRP A 29 9.973 1.793 -2.411 1.00 0.00 N ATOM 384 CE2 TRP A 29 9.389 1.461 -3.628 1.00 0.00 C ATOM 385 CE3 TRP A 29 7.223 0.680 -4.405 1.00 0.00 C ATOM 386 CZ2 TRP A 29 9.942 1.482 -4.914 1.00 0.00 C ATOM 387 CZ3 TRP A 29 7.791 0.706 -5.685 1.00 0.00 C ATOM 388 CH2 TRP A 29 9.099 1.088 -5.960 1.00 0.00 C ATOM 0 H TRP A 29 8.365 -0.796 -0.507 1.00 0.00 H new ATOM 0 HA TRP A 29 5.438 -0.705 -0.358 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.722 1.261 -1.775 1.00 0.00 H new ATOM 0 HB3 TRP A 29 6.569 1.361 -0.244 1.00 0.00 H new ATOM 0 HD1 TRP A 29 9.185 1.788 -0.380 1.00 0.00 H new ATOM 0 HE1 TRP A 29 10.931 2.114 -2.268 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.202 0.377 -4.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 10.963 1.786 -5.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.169 0.408 -6.516 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.463 1.081 -6.977 1.00 0.00 H new ATOM 399 N GLN A 30 7.160 -1.830 -2.907 1.00 0.00 N ATOM 400 CA GLN A 30 7.067 -2.574 -4.152 1.00 0.00 C ATOM 401 C GLN A 30 6.082 -3.735 -4.004 1.00 0.00 C ATOM 402 O GLN A 30 4.974 -3.687 -4.537 1.00 0.00 O ATOM 403 CB GLN A 30 8.442 -3.075 -4.596 1.00 0.00 C ATOM 404 CG GLN A 30 9.285 -1.932 -5.164 1.00 0.00 C ATOM 405 CD GLN A 30 10.771 -2.300 -5.177 1.00 0.00 C ATOM 406 OE1 GLN A 30 11.420 -2.402 -4.149 1.00 0.00 O ATOM 407 NE2 GLN A 30 11.269 -2.493 -6.394 1.00 0.00 N ATOM 0 H GLN A 30 8.112 -1.670 -2.576 1.00 0.00 H new ATOM 0 HA GLN A 30 6.694 -1.903 -4.926 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.959 -3.527 -3.750 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.323 -3.853 -5.350 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.955 -1.701 -6.177 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.135 -1.033 -4.567 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.669 -2.391 -7.213 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.251 -2.743 -6.509 1.00 0.00 H new ATOM 416 N ASP A 31 6.520 -4.752 -3.276 1.00 0.00 N ATOM 417 CA ASP A 31 5.691 -5.924 -3.051 1.00 0.00 C ATOM 418 C ASP A 31 4.305 -5.479 -2.580 1.00 0.00 C ATOM 419 O ASP A 31 3.295 -6.057 -2.978 1.00 0.00 O ATOM 420 CB ASP A 31 6.291 -6.824 -1.970 1.00 0.00 C ATOM 421 CG ASP A 31 6.668 -8.232 -2.436 1.00 0.00 C ATOM 422 OD1 ASP A 31 7.381 -8.319 -3.459 1.00 0.00 O ATOM 423 OD2 ASP A 31 6.233 -9.189 -1.760 1.00 0.00 O ATOM 0 H ASP A 31 7.439 -4.788 -2.834 1.00 0.00 H new ATOM 0 HA ASP A 31 5.629 -6.478 -3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.181 -6.340 -1.569 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.577 -6.908 -1.151 1.00 0.00 H new ATOM 428 N LEU A 32 4.301 -4.456 -1.739 1.00 0.00 N ATOM 429 CA LEU A 32 3.055 -3.927 -1.209 1.00 0.00 C ATOM 430 C LEU A 32 2.148 -3.512 -2.369 1.00 0.00 C ATOM 431 O LEU A 32 0.973 -3.876 -2.403 1.00 0.00 O ATOM 432 CB LEU A 32 3.333 -2.800 -0.212 1.00 0.00 C ATOM 433 CG LEU A 32 2.138 -1.914 0.148 1.00 0.00 C ATOM 434 CD1 LEU A 32 2.460 -1.022 1.349 1.00 0.00 C ATOM 435 CD2 LEU A 32 1.674 -1.101 -1.062 1.00 0.00 C ATOM 0 H LEU A 32 5.141 -3.979 -1.411 1.00 0.00 H new ATOM 0 HA LEU A 32 2.523 -4.695 -0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.723 -3.241 0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.120 -2.166 -0.620 1.00 0.00 H new ATOM 0 HG LEU A 32 1.309 -2.559 0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.595 -0.402 1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.705 -1.645 2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.310 -0.383 1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.824 -0.480 -0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.489 -0.465 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.378 -1.778 -1.863 1.00 0.00 H new ATOM 447 N LYS A 33 2.727 -2.758 -3.291 1.00 0.00 N ATOM 448 CA LYS A 33 1.986 -2.290 -4.450 1.00 0.00 C ATOM 449 C LYS A 33 1.427 -3.493 -5.212 1.00 0.00 C ATOM 450 O LYS A 33 0.221 -3.585 -5.437 1.00 0.00 O ATOM 451 CB LYS A 33 2.856 -1.369 -5.307 1.00 0.00 C ATOM 452 CG LYS A 33 2.008 -0.609 -6.329 1.00 0.00 C ATOM 453 CD LYS A 33 2.869 0.358 -7.145 1.00 0.00 C ATOM 454 CE LYS A 33 2.933 -0.070 -8.612 1.00 0.00 C ATOM 455 NZ LYS A 33 4.018 0.651 -9.315 1.00 0.00 N ATOM 0 H LYS A 33 3.702 -2.459 -3.259 1.00 0.00 H new ATOM 0 HA LYS A 33 1.134 -1.685 -4.139 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.382 -0.661 -4.667 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.615 -1.957 -5.824 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.516 -1.316 -6.997 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.221 -0.056 -5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.458 1.365 -7.074 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.876 0.394 -6.729 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.101 -1.145 -8.676 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.979 0.133 -9.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.048 0.349 -10.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.841 1.675 -9.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.929 0.437 -8.861 1.00 0.00 H new ATOM 469 N ASP A 34 2.331 -4.386 -5.589 1.00 0.00 N ATOM 470 CA ASP A 34 1.944 -5.580 -6.321 1.00 0.00 C ATOM 471 C ASP A 34 0.745 -6.232 -5.628 1.00 0.00 C ATOM 472 O ASP A 34 -0.018 -6.963 -6.258 1.00 0.00 O ATOM 473 CB ASP A 34 3.083 -6.600 -6.353 1.00 0.00 C ATOM 474 CG ASP A 34 4.175 -6.318 -7.388 1.00 0.00 C ATOM 475 OD1 ASP A 34 5.009 -5.431 -7.106 1.00 0.00 O ATOM 476 OD2 ASP A 34 4.150 -6.996 -8.438 1.00 0.00 O ATOM 0 H ASP A 34 3.330 -4.306 -5.401 1.00 0.00 H new ATOM 0 HA ASP A 34 1.696 -5.285 -7.340 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.542 -6.641 -5.365 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.662 -7.586 -6.550 1.00 0.00 H new ATOM 481 N HIS A 35 0.617 -5.943 -4.342 1.00 0.00 N ATOM 482 CA HIS A 35 -0.475 -6.492 -3.557 1.00 0.00 C ATOM 483 C HIS A 35 -1.686 -5.561 -3.641 1.00 0.00 C ATOM 484 O HIS A 35 -2.802 -6.009 -3.898 1.00 0.00 O ATOM 485 CB HIS A 35 -0.031 -6.757 -2.117 1.00 0.00 C ATOM 486 CG HIS A 35 -1.070 -7.454 -1.272 1.00 0.00 C ATOM 487 ND1 HIS A 35 -0.781 -8.555 -0.485 1.00 0.00 N ATOM 488 CD2 HIS A 35 -2.397 -7.194 -1.097 1.00 0.00 C ATOM 489 CE1 HIS A 35 -1.892 -8.934 0.130 1.00 0.00 C ATOM 490 NE2 HIS A 35 -2.893 -8.089 -0.252 1.00 0.00 N ATOM 0 H HIS A 35 1.252 -5.336 -3.824 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.772 -7.457 -3.967 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.875 -7.362 -2.133 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.228 -5.808 -1.647 1.00 0.00 H new ATOM 0 HD1 HIS A 35 0.132 -9.000 -0.394 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.951 -6.395 -1.567 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.988 -9.765 0.813 1.00 0.00 H new ATOM 498 N MET A 36 -1.425 -4.281 -3.419 1.00 0.00 N ATOM 499 CA MET A 36 -2.479 -3.282 -3.467 1.00 0.00 C ATOM 500 C MET A 36 -3.082 -3.188 -4.870 1.00 0.00 C ATOM 501 O MET A 36 -4.296 -3.056 -5.020 1.00 0.00 O ATOM 502 CB MET A 36 -1.912 -1.920 -3.062 1.00 0.00 C ATOM 503 CG MET A 36 -1.593 -1.882 -1.566 1.00 0.00 C ATOM 504 SD MET A 36 -3.066 -2.226 -0.619 1.00 0.00 S ATOM 505 CE MET A 36 -4.293 -1.456 -1.663 1.00 0.00 C ATOM 0 H MET A 36 -0.498 -3.913 -3.205 1.00 0.00 H new ATOM 0 HA MET A 36 -3.266 -3.578 -2.773 1.00 0.00 H new ATOM 0 HB2 MET A 36 -1.008 -1.713 -3.636 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.630 -1.136 -3.304 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.821 -2.615 -1.332 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.197 -0.903 -1.295 1.00 0.00 H new ATOM 0 HE1 MET A 36 -5.200 -1.275 -1.086 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.908 -0.508 -2.039 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.522 -2.114 -2.502 1.00 0.00 H new ATOM 515 N ARG A 37 -2.206 -3.259 -5.861 1.00 0.00 N ATOM 516 CA ARG A 37 -2.637 -3.183 -7.247 1.00 0.00 C ATOM 517 C ARG A 37 -3.905 -4.014 -7.455 1.00 0.00 C ATOM 518 O ARG A 37 -4.687 -3.742 -8.364 1.00 0.00 O ATOM 519 CB ARG A 37 -1.544 -3.687 -8.192 1.00 0.00 C ATOM 520 CG ARG A 37 -0.214 -2.982 -7.917 1.00 0.00 C ATOM 521 CD ARG A 37 0.277 -2.235 -9.158 1.00 0.00 C ATOM 522 NE ARG A 37 0.504 -3.189 -10.267 1.00 0.00 N ATOM 523 CZ ARG A 37 1.217 -2.908 -11.366 1.00 0.00 C ATOM 524 NH1 ARG A 37 1.776 -1.699 -11.511 1.00 0.00 N ATOM 525 NH2 ARG A 37 1.370 -3.836 -12.321 1.00 0.00 N ATOM 0 H ARG A 37 -1.200 -3.368 -5.732 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.843 -2.137 -7.473 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.421 -4.763 -8.071 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.844 -3.515 -9.226 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.334 -2.282 -7.090 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.533 -3.714 -7.609 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.457 -1.486 -9.456 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.201 -1.703 -8.930 1.00 0.00 H new ATOM 0 HE ARG A 37 0.092 -4.119 -10.190 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.659 -0.993 -10.785 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.319 -1.485 -12.348 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.944 -4.756 -12.211 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.913 -3.622 -13.158 1.00 0.00 H new ATOM 539 N GLU A 38 -4.068 -5.010 -6.597 1.00 0.00 N ATOM 540 CA GLU A 38 -5.227 -5.883 -6.676 1.00 0.00 C ATOM 541 C GLU A 38 -6.435 -5.114 -7.216 1.00 0.00 C ATOM 542 O GLU A 38 -7.199 -5.640 -8.024 1.00 0.00 O ATOM 543 CB GLU A 38 -5.539 -6.505 -5.313 1.00 0.00 C ATOM 544 CG GLU A 38 -5.125 -7.977 -5.275 1.00 0.00 C ATOM 545 CD GLU A 38 -3.607 -8.124 -5.407 1.00 0.00 C ATOM 546 OE1 GLU A 38 -3.115 -7.930 -6.540 1.00 0.00 O ATOM 547 OE2 GLU A 38 -2.974 -8.426 -4.373 1.00 0.00 O ATOM 0 H GLU A 38 -3.417 -5.232 -5.844 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.999 -6.695 -7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.016 -5.956 -4.530 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.605 -6.418 -5.105 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.458 -8.428 -4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.618 -8.518 -6.083 1.00 0.00 H new ATOM 554 N ALA A 39 -6.568 -3.881 -6.749 1.00 0.00 N ATOM 555 CA ALA A 39 -7.670 -3.035 -7.176 1.00 0.00 C ATOM 556 C ALA A 39 -7.552 -2.771 -8.678 1.00 0.00 C ATOM 557 O ALA A 39 -8.190 -3.449 -9.483 1.00 0.00 O ATOM 558 CB ALA A 39 -7.669 -1.744 -6.355 1.00 0.00 C ATOM 0 H ALA A 39 -5.932 -3.448 -6.080 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.625 -3.531 -7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.495 -1.109 -6.675 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.784 -1.985 -5.298 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.727 -1.217 -6.506 1.00 0.00 H new ATOM 564 N GLY A 40 -6.732 -1.785 -9.011 1.00 0.00 N ATOM 565 CA GLY A 40 -6.523 -1.424 -10.403 1.00 0.00 C ATOM 566 C GLY A 40 -5.054 -1.090 -10.668 1.00 0.00 C ATOM 567 O GLY A 40 -4.172 -1.912 -10.423 1.00 0.00 O ATOM 0 H GLY A 40 -6.205 -1.225 -8.341 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.834 -2.247 -11.046 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.146 -0.567 -10.658 1.00 0.00 H new ATOM 571 N ASP A 41 -4.835 0.119 -11.164 1.00 0.00 N ATOM 572 CA ASP A 41 -3.487 0.572 -11.465 1.00 0.00 C ATOM 573 C ASP A 41 -3.057 1.606 -10.423 1.00 0.00 C ATOM 574 O ASP A 41 -3.789 2.555 -10.147 1.00 0.00 O ATOM 575 CB ASP A 41 -3.423 1.234 -12.843 1.00 0.00 C ATOM 576 CG ASP A 41 -2.090 1.073 -13.576 1.00 0.00 C ATOM 577 OD1 ASP A 41 -1.680 -0.093 -13.759 1.00 0.00 O ATOM 578 OD2 ASP A 41 -1.511 2.121 -13.938 1.00 0.00 O ATOM 0 H ASP A 41 -5.568 0.799 -11.365 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.828 -0.296 -11.452 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.215 0.819 -13.466 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.631 2.298 -12.729 1.00 0.00 H new ATOM 583 N VAL A 42 -1.872 1.388 -9.873 1.00 0.00 N ATOM 584 CA VAL A 42 -1.336 2.289 -8.868 1.00 0.00 C ATOM 585 C VAL A 42 -0.507 3.377 -9.554 1.00 0.00 C ATOM 586 O VAL A 42 0.313 3.082 -10.423 1.00 0.00 O ATOM 587 CB VAL A 42 -0.540 1.499 -7.827 1.00 0.00 C ATOM 588 CG1 VAL A 42 -0.134 2.392 -6.653 1.00 0.00 C ATOM 589 CG2 VAL A 42 -1.330 0.281 -7.342 1.00 0.00 C ATOM 0 H VAL A 42 -1.268 0.600 -10.105 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.144 2.786 -8.331 1.00 0.00 H new ATOM 0 HB VAL A 42 0.371 1.139 -8.305 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.430 1.806 -5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.485 3.212 -7.017 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.028 2.795 -6.177 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.742 -0.263 -6.603 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.266 0.611 -6.890 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.546 -0.373 -8.187 1.00 0.00 H new ATOM 599 N CYS A 43 -0.749 4.611 -9.138 1.00 0.00 N ATOM 600 CA CYS A 43 -0.035 5.744 -9.702 1.00 0.00 C ATOM 601 C CYS A 43 1.096 6.125 -8.744 1.00 0.00 C ATOM 602 O CYS A 43 2.150 6.590 -9.176 1.00 0.00 O ATOM 603 CB CYS A 43 -0.971 6.923 -9.977 1.00 0.00 C ATOM 604 SG CYS A 43 0.003 8.398 -10.453 1.00 0.00 S ATOM 0 H CYS A 43 -1.429 4.851 -8.417 1.00 0.00 H new ATOM 0 HA CYS A 43 0.386 5.466 -10.668 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -1.669 6.666 -10.773 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.566 7.141 -9.090 1.00 0.00 H new ATOM 0 HG CYS A 43 1.253 8.208 -10.152 1.00 0.00 H new ATOM 610 N TYR A 44 0.839 5.913 -7.462 1.00 0.00 N ATOM 611 CA TYR A 44 1.822 6.227 -6.439 1.00 0.00 C ATOM 612 C TYR A 44 1.829 5.163 -5.340 1.00 0.00 C ATOM 613 O TYR A 44 0.774 4.681 -4.931 1.00 0.00 O ATOM 614 CB TYR A 44 1.389 7.565 -5.835 1.00 0.00 C ATOM 615 CG TYR A 44 2.302 8.066 -4.715 1.00 0.00 C ATOM 616 CD1 TYR A 44 3.571 8.521 -5.011 1.00 0.00 C ATOM 617 CD2 TYR A 44 1.857 8.065 -3.409 1.00 0.00 C ATOM 618 CE1 TYR A 44 4.431 8.993 -3.956 1.00 0.00 C ATOM 619 CE2 TYR A 44 2.716 8.537 -2.355 1.00 0.00 C ATOM 620 CZ TYR A 44 3.961 8.978 -2.680 1.00 0.00 C ATOM 621 OH TYR A 44 4.772 9.424 -1.684 1.00 0.00 O ATOM 0 H TYR A 44 -0.036 5.527 -7.108 1.00 0.00 H new ATOM 0 HA TYR A 44 2.823 6.266 -6.868 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.355 8.315 -6.625 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.375 7.466 -5.447 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.919 8.523 -6.033 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.864 7.710 -3.177 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.427 9.351 -4.174 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.379 8.541 -1.329 1.00 0.00 H new ATOM 0 HH TYR A 44 4.304 9.356 -0.826 1.00 0.00 H new ATOM 631 N ALA A 45 3.031 4.829 -4.892 1.00 0.00 N ATOM 632 CA ALA A 45 3.189 3.831 -3.848 1.00 0.00 C ATOM 633 C ALA A 45 4.353 4.231 -2.939 1.00 0.00 C ATOM 634 O ALA A 45 5.453 4.505 -3.417 1.00 0.00 O ATOM 635 CB ALA A 45 3.393 2.455 -4.484 1.00 0.00 C ATOM 0 H ALA A 45 3.904 5.232 -5.233 1.00 0.00 H new ATOM 0 HA ALA A 45 2.292 3.775 -3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.512 1.706 -3.701 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.527 2.205 -5.097 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.286 2.472 -5.108 1.00 0.00 H new ATOM 641 N ASP A 46 4.071 4.252 -1.645 1.00 0.00 N ATOM 642 CA ASP A 46 5.081 4.614 -0.665 1.00 0.00 C ATOM 643 C ASP A 46 4.882 3.775 0.599 1.00 0.00 C ATOM 644 O ASP A 46 3.812 3.207 0.810 1.00 0.00 O ATOM 645 CB ASP A 46 4.966 6.089 -0.275 1.00 0.00 C ATOM 646 CG ASP A 46 6.120 6.625 0.575 1.00 0.00 C ATOM 647 OD1 ASP A 46 7.253 6.141 0.364 1.00 0.00 O ATOM 648 OD2 ASP A 46 5.843 7.506 1.417 1.00 0.00 O ATOM 0 H ASP A 46 3.158 4.024 -1.252 1.00 0.00 H new ATOM 0 HA ASP A 46 6.061 4.433 -1.107 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.897 6.685 -1.185 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.034 6.233 0.272 1.00 0.00 H new ATOM 653 N VAL A 47 5.931 3.722 1.407 1.00 0.00 N ATOM 654 CA VAL A 47 5.886 2.962 2.644 1.00 0.00 C ATOM 655 C VAL A 47 6.463 3.809 3.780 1.00 0.00 C ATOM 656 O VAL A 47 7.302 4.677 3.547 1.00 0.00 O ATOM 657 CB VAL A 47 6.613 1.627 2.465 1.00 0.00 C ATOM 658 CG1 VAL A 47 5.690 0.580 1.837 1.00 0.00 C ATOM 659 CG2 VAL A 47 7.886 1.803 1.635 1.00 0.00 C ATOM 0 H VAL A 47 6.818 4.194 1.229 1.00 0.00 H new ATOM 0 HA VAL A 47 4.856 2.723 2.908 1.00 0.00 H new ATOM 0 HB VAL A 47 6.904 1.269 3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.231 -0.359 1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.826 0.423 2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.355 0.929 0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.383 0.840 1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.628 2.195 0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.555 2.500 2.139 1.00 0.00 H new ATOM 669 N GLN A 48 5.990 3.526 4.985 1.00 0.00 N ATOM 670 CA GLN A 48 6.449 4.251 6.158 1.00 0.00 C ATOM 671 C GLN A 48 6.989 3.277 7.206 1.00 0.00 C ATOM 672 O GLN A 48 6.711 2.080 7.149 1.00 0.00 O ATOM 673 CB GLN A 48 5.330 5.117 6.739 1.00 0.00 C ATOM 674 CG GLN A 48 5.247 6.463 6.016 1.00 0.00 C ATOM 675 CD GLN A 48 4.911 7.591 6.995 1.00 0.00 C ATOM 676 OE1 GLN A 48 3.920 7.556 7.706 1.00 0.00 O ATOM 677 NE2 GLN A 48 5.788 8.590 6.991 1.00 0.00 N ATOM 0 H GLN A 48 5.294 2.805 5.174 1.00 0.00 H new ATOM 0 HA GLN A 48 7.259 4.915 5.857 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.378 4.594 6.652 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.507 5.281 7.802 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.196 6.675 5.524 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.487 6.415 5.236 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.597 8.556 6.370 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.652 9.390 7.609 1.00 0.00 H new ATOM 686 N LYS A 49 7.752 3.826 8.140 1.00 0.00 N ATOM 687 CA LYS A 49 8.334 3.020 9.200 1.00 0.00 C ATOM 688 C LYS A 49 7.217 2.470 10.088 1.00 0.00 C ATOM 689 O LYS A 49 6.043 2.763 9.868 1.00 0.00 O ATOM 690 CB LYS A 49 9.389 3.822 9.965 1.00 0.00 C ATOM 691 CG LYS A 49 8.740 4.937 10.788 1.00 0.00 C ATOM 692 CD LYS A 49 9.751 6.039 11.113 1.00 0.00 C ATOM 693 CE LYS A 49 9.397 6.738 12.427 1.00 0.00 C ATOM 694 NZ LYS A 49 10.118 6.110 13.557 1.00 0.00 N ATOM 0 H LYS A 49 7.981 4.819 8.185 1.00 0.00 H new ATOM 0 HA LYS A 49 8.860 2.162 8.781 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.949 3.158 10.623 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.104 4.252 9.263 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.901 5.360 10.236 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.337 4.524 11.713 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.751 5.611 11.183 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.772 6.768 10.303 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.656 7.795 12.365 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.322 6.682 12.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.867 6.596 14.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.851 5.107 13.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.143 6.185 13.399 1.00 0.00 H new ATOM 708 N ASP A 50 7.621 1.682 11.073 1.00 0.00 N ATOM 709 CA ASP A 50 6.669 1.088 11.996 1.00 0.00 C ATOM 710 C ASP A 50 5.937 -0.061 11.298 1.00 0.00 C ATOM 711 O ASP A 50 5.973 -1.198 11.763 1.00 0.00 O ATOM 712 CB ASP A 50 5.624 2.111 12.443 1.00 0.00 C ATOM 713 CG ASP A 50 5.359 2.149 13.950 1.00 0.00 C ATOM 714 OD1 ASP A 50 5.368 1.055 14.555 1.00 0.00 O ATOM 715 OD2 ASP A 50 5.154 3.271 14.462 1.00 0.00 O ATOM 0 H ASP A 50 8.596 1.441 11.252 1.00 0.00 H new ATOM 0 HA ASP A 50 7.220 0.732 12.866 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.946 3.101 12.121 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.686 1.898 11.930 1.00 0.00 H new ATOM 720 N GLY A 51 5.291 0.278 10.192 1.00 0.00 N ATOM 721 CA GLY A 51 4.552 -0.711 9.425 1.00 0.00 C ATOM 722 C GLY A 51 3.352 -0.074 8.720 1.00 0.00 C ATOM 723 O GLY A 51 2.255 -0.629 8.731 1.00 0.00 O ATOM 0 H GLY A 51 5.264 1.223 9.809 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.210 -1.170 8.687 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.209 -1.507 10.086 1.00 0.00 H new ATOM 727 N MET A 52 3.602 1.083 8.125 1.00 0.00 N ATOM 728 CA MET A 52 2.556 1.802 7.417 1.00 0.00 C ATOM 729 C MET A 52 2.846 1.853 5.916 1.00 0.00 C ATOM 730 O MET A 52 3.983 1.653 5.492 1.00 0.00 O ATOM 731 CB MET A 52 2.453 3.226 7.967 1.00 0.00 C ATOM 732 CG MET A 52 1.581 3.268 9.223 1.00 0.00 C ATOM 733 SD MET A 52 0.428 4.627 9.121 1.00 0.00 S ATOM 734 CE MET A 52 -0.733 4.144 10.387 1.00 0.00 C ATOM 0 H MET A 52 4.514 1.541 8.119 1.00 0.00 H new ATOM 0 HA MET A 52 1.613 1.276 7.568 1.00 0.00 H new ATOM 0 HB2 MET A 52 3.449 3.603 8.199 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.033 3.884 7.206 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.039 2.328 9.331 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.208 3.378 10.108 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.526 4.889 10.457 1.00 0.00 H new ATOM 0 HE2 MET A 52 -1.166 3.176 10.134 1.00 0.00 H new ATOM 0 HE3 MET A 52 -0.218 4.072 11.345 1.00 0.00 H new ATOM 744 N GLY A 53 1.797 2.123 5.152 1.00 0.00 N ATOM 745 CA GLY A 53 1.925 2.203 3.707 1.00 0.00 C ATOM 746 C GLY A 53 0.873 3.144 3.115 1.00 0.00 C ATOM 747 O GLY A 53 -0.076 3.528 3.797 1.00 0.00 O ATOM 0 H GLY A 53 0.855 2.289 5.507 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.922 2.556 3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.815 1.209 3.273 1.00 0.00 H new ATOM 751 N MET A 54 1.077 3.488 1.852 1.00 0.00 N ATOM 752 CA MET A 54 0.158 4.376 1.161 1.00 0.00 C ATOM 753 C MET A 54 0.158 4.101 -0.344 1.00 0.00 C ATOM 754 O MET A 54 1.215 3.924 -0.947 1.00 0.00 O ATOM 755 CB MET A 54 0.565 5.829 1.414 1.00 0.00 C ATOM 756 CG MET A 54 -0.567 6.788 1.040 1.00 0.00 C ATOM 757 SD MET A 54 -0.057 7.837 -0.311 1.00 0.00 S ATOM 758 CE MET A 54 -0.886 7.023 -1.666 1.00 0.00 C ATOM 0 H MET A 54 1.865 3.168 1.289 1.00 0.00 H new ATOM 0 HA MET A 54 -0.847 4.199 1.544 1.00 0.00 H new ATOM 0 HB2 MET A 54 0.825 5.960 2.464 1.00 0.00 H new ATOM 0 HB3 MET A 54 1.456 6.068 0.833 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.455 6.223 0.757 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.838 7.397 1.902 1.00 0.00 H new ATOM 0 HE1 MET A 54 -1.121 7.753 -2.440 1.00 0.00 H new ATOM 0 HE2 MET A 54 -0.236 6.252 -2.080 1.00 0.00 H new ATOM 0 HE3 MET A 54 -1.808 6.566 -1.307 1.00 0.00 H new ATOM 768 N VAL A 55 -1.041 4.074 -0.908 1.00 0.00 N ATOM 769 CA VAL A 55 -1.193 3.824 -2.332 1.00 0.00 C ATOM 770 C VAL A 55 -2.321 4.699 -2.881 1.00 0.00 C ATOM 771 O VAL A 55 -3.412 4.741 -2.314 1.00 0.00 O ATOM 772 CB VAL A 55 -1.419 2.331 -2.579 1.00 0.00 C ATOM 773 CG1 VAL A 55 -0.173 1.680 -3.182 1.00 0.00 C ATOM 774 CG2 VAL A 55 -1.842 1.620 -1.292 1.00 0.00 C ATOM 0 H VAL A 55 -1.916 4.221 -0.405 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.283 4.094 -2.867 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.231 2.230 -3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.361 0.619 -3.347 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.064 2.159 -4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.667 1.797 -2.497 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.996 0.560 -1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.062 1.735 -0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.770 2.057 -0.923 1.00 0.00 H new ATOM 784 N GLU A 56 -2.020 5.377 -3.979 1.00 0.00 N ATOM 785 CA GLU A 56 -2.995 6.249 -4.612 1.00 0.00 C ATOM 786 C GLU A 56 -3.445 5.659 -5.950 1.00 0.00 C ATOM 787 O GLU A 56 -2.655 5.568 -6.889 1.00 0.00 O ATOM 788 CB GLU A 56 -2.432 7.659 -4.796 1.00 0.00 C ATOM 789 CG GLU A 56 -3.196 8.671 -3.939 1.00 0.00 C ATOM 790 CD GLU A 56 -3.069 10.083 -4.513 1.00 0.00 C ATOM 791 OE1 GLU A 56 -2.347 10.221 -5.524 1.00 0.00 O ATOM 792 OE2 GLU A 56 -3.696 10.992 -3.928 1.00 0.00 O ATOM 0 H GLU A 56 -1.114 5.340 -4.447 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.865 6.323 -3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.376 7.671 -4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.495 7.945 -5.846 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.248 8.389 -3.888 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.811 8.653 -2.919 1.00 0.00 H new ATOM 799 N TYR A 57 -4.712 5.274 -5.995 1.00 0.00 N ATOM 800 CA TYR A 57 -5.276 4.696 -7.203 1.00 0.00 C ATOM 801 C TYR A 57 -5.690 5.788 -8.192 1.00 0.00 C ATOM 802 O TYR A 57 -5.591 6.976 -7.888 1.00 0.00 O ATOM 803 CB TYR A 57 -6.522 3.927 -6.760 1.00 0.00 C ATOM 804 CG TYR A 57 -6.218 2.598 -6.066 1.00 0.00 C ATOM 805 CD1 TYR A 57 -5.418 1.661 -6.687 1.00 0.00 C ATOM 806 CD2 TYR A 57 -6.745 2.335 -4.818 1.00 0.00 C ATOM 807 CE1 TYR A 57 -5.132 0.410 -6.034 1.00 0.00 C ATOM 808 CE2 TYR A 57 -6.460 1.084 -4.164 1.00 0.00 C ATOM 809 CZ TYR A 57 -5.667 0.184 -4.804 1.00 0.00 C ATOM 810 OH TYR A 57 -5.397 -0.998 -4.187 1.00 0.00 O ATOM 0 H TYR A 57 -5.364 5.351 -5.214 1.00 0.00 H new ATOM 0 HA TYR A 57 -4.546 4.058 -7.701 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.102 4.554 -6.083 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.147 3.735 -7.632 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.006 1.866 -7.664 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.372 3.068 -4.331 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.507 -0.332 -6.510 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.867 0.866 -3.188 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.920 -1.589 -4.806 1.00 0.00 H new ATOM 820 N LEU A 58 -6.144 5.346 -9.355 1.00 0.00 N ATOM 821 CA LEU A 58 -6.573 6.271 -10.391 1.00 0.00 C ATOM 822 C LEU A 58 -8.101 6.270 -10.468 1.00 0.00 C ATOM 823 O LEU A 58 -8.694 7.129 -11.118 1.00 0.00 O ATOM 824 CB LEU A 58 -5.890 5.942 -11.720 1.00 0.00 C ATOM 825 CG LEU A 58 -4.405 6.297 -11.816 1.00 0.00 C ATOM 826 CD1 LEU A 58 -3.934 6.297 -13.272 1.00 0.00 C ATOM 827 CD2 LEU A 58 -4.113 7.628 -11.120 1.00 0.00 C ATOM 0 H LEU A 58 -6.224 4.360 -9.603 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.266 7.288 -10.145 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.001 4.874 -11.908 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.420 6.463 -12.517 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.836 5.528 -11.293 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.875 6.552 -13.312 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.085 5.307 -13.703 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.506 7.031 -13.839 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.050 7.857 -11.203 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.693 8.421 -11.593 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.387 7.556 -10.068 1.00 0.00 H new ATOM 839 N ARG A 59 -8.695 5.295 -9.796 1.00 0.00 N ATOM 840 CA ARG A 59 -10.143 5.170 -9.780 1.00 0.00 C ATOM 841 C ARG A 59 -10.649 5.034 -8.343 1.00 0.00 C ATOM 842 O ARG A 59 -9.992 4.416 -7.506 1.00 0.00 O ATOM 843 CB ARG A 59 -10.600 3.956 -10.592 1.00 0.00 C ATOM 844 CG ARG A 59 -9.853 3.874 -11.924 1.00 0.00 C ATOM 845 CD ARG A 59 -10.338 4.957 -12.891 1.00 0.00 C ATOM 846 NE ARG A 59 -11.583 4.518 -13.560 1.00 0.00 N ATOM 847 CZ ARG A 59 -12.227 5.233 -14.492 1.00 0.00 C ATOM 848 NH1 ARG A 59 -11.749 6.426 -14.871 1.00 0.00 N ATOM 849 NH2 ARG A 59 -13.351 4.755 -15.044 1.00 0.00 N ATOM 0 H ARG A 59 -8.200 4.584 -9.258 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.558 6.071 -10.231 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.429 3.045 -10.018 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.672 4.020 -10.776 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.783 3.987 -11.753 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.002 2.890 -12.369 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.515 5.887 -12.350 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.569 5.163 -13.635 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.975 3.615 -13.295 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.894 6.790 -14.450 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.240 6.970 -15.581 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.715 3.847 -14.754 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.842 5.299 -15.754 1.00 0.00 H new ATOM 863 N LYS A 60 -11.811 5.621 -8.100 1.00 0.00 N ATOM 864 CA LYS A 60 -12.412 5.574 -6.778 1.00 0.00 C ATOM 865 C LYS A 60 -12.828 4.135 -6.464 1.00 0.00 C ATOM 866 O LYS A 60 -12.450 3.588 -5.429 1.00 0.00 O ATOM 867 CB LYS A 60 -13.558 6.582 -6.674 1.00 0.00 C ATOM 868 CG LYS A 60 -14.113 6.636 -5.249 1.00 0.00 C ATOM 869 CD LYS A 60 -15.467 7.347 -5.214 1.00 0.00 C ATOM 870 CE LYS A 60 -16.197 7.072 -3.898 1.00 0.00 C ATOM 871 NZ LYS A 60 -15.970 8.177 -2.939 1.00 0.00 N ATOM 0 H LYS A 60 -12.353 6.132 -8.797 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.688 5.871 -6.019 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.205 7.570 -6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.353 6.307 -7.368 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.219 5.624 -4.858 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.408 7.156 -4.600 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.321 8.420 -5.336 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.080 7.012 -6.051 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -17.265 6.958 -4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.846 6.133 -3.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.472 7.975 -2.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.952 8.267 -2.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.326 9.066 -3.343 1.00 0.00 H new ATOM 885 N GLU A 61 -13.602 3.564 -7.375 1.00 0.00 N ATOM 886 CA GLU A 61 -14.074 2.200 -7.208 1.00 0.00 C ATOM 887 C GLU A 61 -12.911 1.279 -6.830 1.00 0.00 C ATOM 888 O GLU A 61 -13.074 0.371 -6.017 1.00 0.00 O ATOM 889 CB GLU A 61 -14.777 1.704 -8.473 1.00 0.00 C ATOM 890 CG GLU A 61 -16.159 1.135 -8.144 1.00 0.00 C ATOM 891 CD GLU A 61 -16.391 -0.194 -8.867 1.00 0.00 C ATOM 892 OE1 GLU A 61 -16.225 -0.203 -10.106 1.00 0.00 O ATOM 893 OE2 GLU A 61 -16.728 -1.170 -8.164 1.00 0.00 O ATOM 0 H GLU A 61 -13.914 4.021 -8.232 1.00 0.00 H new ATOM 0 HA GLU A 61 -14.803 2.185 -6.398 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -14.877 2.525 -9.183 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.169 0.938 -8.955 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.249 0.988 -7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.929 1.850 -8.434 1.00 0.00 H new ATOM 900 N ASP A 62 -11.765 1.545 -7.439 1.00 0.00 N ATOM 901 CA ASP A 62 -10.577 0.752 -7.177 1.00 0.00 C ATOM 902 C ASP A 62 -10.229 0.838 -5.689 1.00 0.00 C ATOM 903 O ASP A 62 -9.935 -0.175 -5.057 1.00 0.00 O ATOM 904 CB ASP A 62 -9.379 1.274 -7.973 1.00 0.00 C ATOM 905 CG ASP A 62 -9.398 0.937 -9.465 1.00 0.00 C ATOM 906 OD1 ASP A 62 -10.416 0.359 -9.904 1.00 0.00 O ATOM 907 OD2 ASP A 62 -8.394 1.265 -10.134 1.00 0.00 O ATOM 0 H ASP A 62 -11.634 2.299 -8.113 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.786 -0.276 -7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.332 2.357 -7.861 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.467 0.868 -7.536 1.00 0.00 H new ATOM 912 N MET A 63 -10.275 2.058 -5.173 1.00 0.00 N ATOM 913 CA MET A 63 -9.969 2.289 -3.772 1.00 0.00 C ATOM 914 C MET A 63 -10.842 1.416 -2.868 1.00 0.00 C ATOM 915 O MET A 63 -10.329 0.595 -2.109 1.00 0.00 O ATOM 916 CB MET A 63 -10.200 3.764 -3.436 1.00 0.00 C ATOM 917 CG MET A 63 -9.455 4.158 -2.158 1.00 0.00 C ATOM 918 SD MET A 63 -9.725 5.887 -1.804 1.00 0.00 S ATOM 919 CE MET A 63 -11.471 6.007 -2.158 1.00 0.00 C ATOM 0 H MET A 63 -10.520 2.896 -5.700 1.00 0.00 H new ATOM 0 HA MET A 63 -8.925 2.027 -3.599 1.00 0.00 H new ATOM 0 HB2 MET A 63 -9.863 4.387 -4.265 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.267 3.950 -3.311 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.801 3.549 -1.323 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.389 3.964 -2.274 1.00 0.00 H new ATOM 0 HE1 MET A 63 -11.864 6.935 -1.743 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.625 5.999 -3.237 1.00 0.00 H new ATOM 0 HE3 MET A 63 -11.992 5.160 -1.711 1.00 0.00 H new ATOM 929 N GLU A 64 -12.146 1.623 -2.980 1.00 0.00 N ATOM 930 CA GLU A 64 -13.094 0.865 -2.183 1.00 0.00 C ATOM 931 C GLU A 64 -12.905 -0.635 -2.416 1.00 0.00 C ATOM 932 O GLU A 64 -12.884 -1.417 -1.466 1.00 0.00 O ATOM 933 CB GLU A 64 -14.532 1.290 -2.490 1.00 0.00 C ATOM 934 CG GLU A 64 -14.717 2.794 -2.273 1.00 0.00 C ATOM 935 CD GLU A 64 -16.195 3.142 -2.085 1.00 0.00 C ATOM 936 OE1 GLU A 64 -16.964 2.885 -3.036 1.00 0.00 O ATOM 937 OE2 GLU A 64 -16.521 3.658 -0.994 1.00 0.00 O ATOM 0 H GLU A 64 -12.568 2.305 -3.611 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.904 1.076 -1.131 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.778 1.034 -3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.222 0.739 -1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.151 3.111 -1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.317 3.340 -3.127 1.00 0.00 H new ATOM 944 N TYR A 65 -12.771 -0.992 -3.685 1.00 0.00 N ATOM 945 CA TYR A 65 -12.584 -2.385 -4.055 1.00 0.00 C ATOM 946 C TYR A 65 -11.449 -3.019 -3.247 1.00 0.00 C ATOM 947 O TYR A 65 -11.673 -3.965 -2.494 1.00 0.00 O ATOM 948 CB TYR A 65 -12.199 -2.379 -5.536 1.00 0.00 C ATOM 949 CG TYR A 65 -11.793 -3.751 -6.078 1.00 0.00 C ATOM 950 CD1 TYR A 65 -10.525 -4.240 -5.837 1.00 0.00 C ATOM 951 CD2 TYR A 65 -12.694 -4.499 -6.808 1.00 0.00 C ATOM 952 CE1 TYR A 65 -10.142 -5.532 -6.347 1.00 0.00 C ATOM 953 CE2 TYR A 65 -12.311 -5.791 -7.318 1.00 0.00 C ATOM 954 CZ TYR A 65 -11.054 -6.243 -7.062 1.00 0.00 C ATOM 955 OH TYR A 65 -10.693 -7.462 -7.544 1.00 0.00 O ATOM 0 H TYR A 65 -12.788 -0.341 -4.470 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.490 -2.959 -3.861 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.041 -2.004 -6.118 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.374 -1.682 -5.684 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.820 -3.654 -5.266 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -13.686 -4.116 -6.997 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.153 -5.927 -6.165 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -13.006 -6.387 -7.891 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.445 -7.856 -8.034 1.00 0.00 H new ATOM 965 N ALA A 66 -10.257 -2.472 -3.433 1.00 0.00 N ATOM 966 CA ALA A 66 -9.087 -2.973 -2.731 1.00 0.00 C ATOM 967 C ALA A 66 -9.312 -2.852 -1.223 1.00 0.00 C ATOM 968 O ALA A 66 -8.939 -3.744 -0.463 1.00 0.00 O ATOM 969 CB ALA A 66 -7.846 -2.209 -3.199 1.00 0.00 C ATOM 0 H ALA A 66 -10.076 -1.687 -4.059 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.926 -4.027 -2.956 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.968 -2.584 -2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.714 -2.351 -4.272 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.971 -1.147 -2.986 1.00 0.00 H new ATOM 975 N LEU A 67 -9.921 -1.741 -0.835 1.00 0.00 N ATOM 976 CA LEU A 67 -10.201 -1.493 0.570 1.00 0.00 C ATOM 977 C LEU A 67 -10.912 -2.709 1.167 1.00 0.00 C ATOM 978 O LEU A 67 -10.454 -3.275 2.158 1.00 0.00 O ATOM 979 CB LEU A 67 -10.974 -0.184 0.738 1.00 0.00 C ATOM 980 CG LEU A 67 -10.132 1.093 0.781 1.00 0.00 C ATOM 981 CD1 LEU A 67 -11.022 2.336 0.827 1.00 0.00 C ATOM 982 CD2 LEU A 67 -9.139 1.056 1.945 1.00 0.00 C ATOM 0 H LEU A 67 -10.228 -1.003 -1.468 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.273 -1.362 1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.686 -0.098 -0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.554 -0.244 1.659 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.549 1.148 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.398 3.229 0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.654 2.364 -0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.649 2.302 1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.553 1.975 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.683 0.965 2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.472 0.202 1.827 1.00 0.00 H new ATOM 994 N ARG A 68 -12.019 -3.075 0.538 1.00 0.00 N ATOM 995 CA ARG A 68 -12.798 -4.213 0.995 1.00 0.00 C ATOM 996 C ARG A 68 -12.075 -5.519 0.660 1.00 0.00 C ATOM 997 O ARG A 68 -11.609 -6.223 1.555 1.00 0.00 O ATOM 998 CB ARG A 68 -14.185 -4.226 0.350 1.00 0.00 C ATOM 999 CG ARG A 68 -14.887 -2.879 0.533 1.00 0.00 C ATOM 1000 CD ARG A 68 -15.386 -2.711 1.969 1.00 0.00 C ATOM 1001 NE ARG A 68 -16.647 -3.463 2.158 1.00 0.00 N ATOM 1002 CZ ARG A 68 -17.247 -3.638 3.343 1.00 0.00 C ATOM 1003 NH1 ARG A 68 -16.705 -3.117 4.452 1.00 0.00 N ATOM 1004 NH2 ARG A 68 -18.389 -4.335 3.420 1.00 0.00 N ATOM 0 H ARG A 68 -12.395 -2.603 -0.285 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.913 -4.124 2.075 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.094 -4.451 -0.713 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.789 -5.018 0.793 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -14.199 -2.070 0.286 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.727 -2.806 -0.158 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -14.631 -3.069 2.669 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -15.547 -1.655 2.186 1.00 0.00 H new ATOM 0 HE ARG A 68 -17.087 -3.874 1.334 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.835 -2.587 4.394 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -17.162 -3.250 5.354 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -18.802 -4.733 2.576 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -18.845 -4.468 4.322 1.00 0.00 H new ATOM 1018 N LYS A 69 -12.004 -5.805 -0.632 1.00 0.00 N ATOM 1019 CA LYS A 69 -11.346 -7.014 -1.097 1.00 0.00 C ATOM 1020 C LYS A 69 -10.151 -7.319 -0.191 1.00 0.00 C ATOM 1021 O LYS A 69 -10.100 -8.372 0.442 1.00 0.00 O ATOM 1022 CB LYS A 69 -10.981 -6.890 -2.577 1.00 0.00 C ATOM 1023 CG LYS A 69 -12.131 -7.366 -3.467 1.00 0.00 C ATOM 1024 CD LYS A 69 -13.298 -6.377 -3.430 1.00 0.00 C ATOM 1025 CE LYS A 69 -14.454 -6.860 -4.309 1.00 0.00 C ATOM 1026 NZ LYS A 69 -15.406 -7.668 -3.515 1.00 0.00 N ATOM 0 H LYS A 69 -12.392 -5.220 -1.372 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.022 -7.866 -1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.741 -5.853 -2.810 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.087 -7.478 -2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.779 -7.480 -4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.470 -8.347 -3.135 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.643 -6.255 -2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.961 -5.398 -3.772 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.969 -6.004 -4.745 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.066 -7.454 -5.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.184 -7.988 -4.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.914 -8.495 -3.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.790 -7.090 -2.740 1.00 0.00 H new ATOM 1040 N LEU A 70 -9.219 -6.378 -0.159 1.00 0.00 N ATOM 1041 CA LEU A 70 -8.027 -6.533 0.658 1.00 0.00 C ATOM 1042 C LEU A 70 -8.426 -6.549 2.135 1.00 0.00 C ATOM 1043 O LEU A 70 -8.207 -7.540 2.830 1.00 0.00 O ATOM 1044 CB LEU A 70 -6.996 -5.457 0.311 1.00 0.00 C ATOM 1045 CG LEU A 70 -6.726 -5.243 -1.180 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -5.856 -4.005 -1.407 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -6.118 -6.495 -1.813 1.00 0.00 C ATOM 0 H LEU A 70 -9.265 -5.506 -0.685 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.542 -7.486 0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.329 -4.511 0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.055 -5.713 0.797 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.679 -5.063 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.679 -3.876 -2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.366 -3.125 -1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.903 -4.131 -0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.936 -6.315 -2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.176 -6.732 -1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.808 -7.331 -1.700 1.00 0.00 H new ATOM 1059 N ASP A 71 -9.003 -5.439 2.571 1.00 0.00 N ATOM 1060 CA ASP A 71 -9.434 -5.313 3.953 1.00 0.00 C ATOM 1061 C ASP A 71 -8.770 -6.407 4.792 1.00 0.00 C ATOM 1062 O ASP A 71 -9.346 -7.475 4.994 1.00 0.00 O ATOM 1063 CB ASP A 71 -10.950 -5.479 4.075 1.00 0.00 C ATOM 1064 CG ASP A 71 -11.506 -5.328 5.492 1.00 0.00 C ATOM 1065 OD1 ASP A 71 -11.168 -4.306 6.128 1.00 0.00 O ATOM 1066 OD2 ASP A 71 -12.255 -6.238 5.908 1.00 0.00 O ATOM 0 H ASP A 71 -9.182 -4.619 1.992 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.150 -4.321 4.305 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.434 -4.744 3.431 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.224 -6.464 3.697 1.00 0.00 H new ATOM 1071 N ASP A 72 -7.567 -6.103 5.257 1.00 0.00 N ATOM 1072 CA ASP A 72 -6.818 -7.047 6.069 1.00 0.00 C ATOM 1073 C ASP A 72 -6.390 -8.232 5.201 1.00 0.00 C ATOM 1074 O ASP A 72 -7.205 -9.093 4.874 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.674 -7.586 7.217 1.00 0.00 C ATOM 1076 CG ASP A 72 -6.902 -7.938 8.490 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -5.683 -8.183 8.364 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -7.548 -7.953 9.560 1.00 0.00 O ATOM 0 H ASP A 72 -7.092 -5.216 5.087 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.952 -6.527 6.478 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.433 -6.843 7.464 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.200 -8.476 6.871 1.00 0.00 H new ATOM 1083 N THR A 73 -5.111 -8.238 4.853 1.00 0.00 N ATOM 1084 CA THR A 73 -4.565 -9.303 4.030 1.00 0.00 C ATOM 1085 C THR A 73 -3.208 -9.754 4.573 1.00 0.00 C ATOM 1086 O THR A 73 -2.657 -9.127 5.477 1.00 0.00 O ATOM 1087 CB THR A 73 -4.504 -8.800 2.586 1.00 0.00 C ATOM 1088 OG1 THR A 73 -3.980 -7.480 2.700 1.00 0.00 O ATOM 1089 CG2 THR A 73 -5.893 -8.599 1.977 1.00 0.00 C ATOM 0 H THR A 73 -4.438 -7.522 5.126 1.00 0.00 H new ATOM 0 HA THR A 73 -5.201 -10.188 4.055 1.00 0.00 H new ATOM 0 HB THR A 73 -3.941 -9.508 1.978 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.499 -7.247 1.878 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.793 -8.242 0.952 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.432 -9.546 1.980 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.445 -7.866 2.565 1.00 0.00 H new ATOM 1097 N LYS A 74 -2.708 -10.839 4.000 1.00 0.00 N ATOM 1098 CA LYS A 74 -1.426 -11.382 4.416 1.00 0.00 C ATOM 1099 C LYS A 74 -0.341 -10.921 3.440 1.00 0.00 C ATOM 1100 O LYS A 74 -0.187 -11.494 2.362 1.00 0.00 O ATOM 1101 CB LYS A 74 -1.511 -12.902 4.568 1.00 0.00 C ATOM 1102 CG LYS A 74 -0.176 -13.482 5.040 1.00 0.00 C ATOM 1103 CD LYS A 74 -0.332 -14.944 5.461 1.00 0.00 C ATOM 1104 CE LYS A 74 0.609 -15.848 4.662 1.00 0.00 C ATOM 1105 NZ LYS A 74 0.260 -17.272 4.869 1.00 0.00 N ATOM 0 H LYS A 74 -3.168 -11.357 3.251 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.153 -11.002 5.400 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.295 -13.156 5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.790 -13.351 3.615 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.560 -13.407 4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.203 -12.897 5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.121 -15.044 6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.363 -15.262 5.309 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.546 -15.602 3.602 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.640 -15.672 4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.908 -17.872 4.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.343 -17.507 5.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.717 -17.439 4.554 1.00 0.00 H new ATOM 1119 N PHE A 75 0.383 -9.891 3.852 1.00 0.00 N ATOM 1120 CA PHE A 75 1.448 -9.347 3.028 1.00 0.00 C ATOM 1121 C PHE A 75 2.764 -10.087 3.274 1.00 0.00 C ATOM 1122 O PHE A 75 3.197 -10.228 4.417 1.00 0.00 O ATOM 1123 CB PHE A 75 1.619 -7.880 3.428 1.00 0.00 C ATOM 1124 CG PHE A 75 2.777 -7.173 2.720 1.00 0.00 C ATOM 1125 CD1 PHE A 75 2.771 -7.047 1.366 1.00 0.00 C ATOM 1126 CD2 PHE A 75 3.812 -6.670 3.445 1.00 0.00 C ATOM 1127 CE1 PHE A 75 3.845 -6.391 0.709 1.00 0.00 C ATOM 1128 CE2 PHE A 75 4.886 -6.014 2.789 1.00 0.00 C ATOM 1129 CZ PHE A 75 4.880 -5.888 1.434 1.00 0.00 C ATOM 0 H PHE A 75 0.253 -9.419 4.747 1.00 0.00 H new ATOM 0 HA PHE A 75 1.194 -9.454 1.974 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.694 -7.345 3.213 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.776 -7.824 4.505 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.949 -7.446 0.790 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.817 -6.770 4.520 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.840 -6.291 -0.366 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.708 -5.615 3.365 1.00 0.00 H new ATOM 0 HZ PHE A 75 5.697 -5.389 0.934 1.00 0.00 H new ATOM 1139 N ARG A 76 3.365 -10.541 2.184 1.00 0.00 N ATOM 1140 CA ARG A 76 4.623 -11.263 2.267 1.00 0.00 C ATOM 1141 C ARG A 76 5.792 -10.333 1.935 1.00 0.00 C ATOM 1142 O ARG A 76 5.939 -9.900 0.793 1.00 0.00 O ATOM 1143 CB ARG A 76 4.639 -12.454 1.307 1.00 0.00 C ATOM 1144 CG ARG A 76 5.756 -13.435 1.669 1.00 0.00 C ATOM 1145 CD ARG A 76 5.499 -14.811 1.051 1.00 0.00 C ATOM 1146 NE ARG A 76 6.078 -14.871 -0.310 1.00 0.00 N ATOM 1147 CZ ARG A 76 5.869 -15.876 -1.171 1.00 0.00 C ATOM 1148 NH1 ARG A 76 5.094 -16.911 -0.818 1.00 0.00 N ATOM 1149 NH2 ARG A 76 6.435 -15.846 -2.385 1.00 0.00 N ATOM 0 H ARG A 76 3.003 -10.423 1.238 1.00 0.00 H new ATOM 0 HA ARG A 76 4.727 -11.632 3.287 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.677 -12.965 1.340 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.778 -12.100 0.285 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.713 -13.048 1.318 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.827 -13.527 2.753 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.939 -15.588 1.677 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.427 -15.005 1.008 1.00 0.00 H new ATOM 0 HE ARG A 76 6.673 -14.099 -0.611 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.663 -16.934 0.106 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.935 -17.676 -1.474 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.025 -15.058 -2.653 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.276 -16.611 -3.041 1.00 0.00 H new ATOM 1163 N SER A 77 6.592 -10.055 2.953 1.00 0.00 N ATOM 1164 CA SER A 77 7.744 -9.184 2.783 1.00 0.00 C ATOM 1165 C SER A 77 8.745 -9.824 1.819 1.00 0.00 C ATOM 1166 O SER A 77 8.719 -11.035 1.604 1.00 0.00 O ATOM 1167 CB SER A 77 8.414 -8.889 4.126 1.00 0.00 C ATOM 1168 OG SER A 77 9.249 -9.962 4.553 1.00 0.00 O ATOM 0 H SER A 77 6.466 -10.417 3.898 1.00 0.00 H new ATOM 0 HA SER A 77 7.400 -8.238 2.364 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.008 -7.979 4.043 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.649 -8.703 4.880 1.00 0.00 H new ATOM 0 HG SER A 77 9.912 -9.626 5.192 1.00 0.00 H new ATOM 1174 N HIS A 78 9.604 -8.982 1.264 1.00 0.00 N ATOM 1175 CA HIS A 78 10.613 -9.449 0.329 1.00 0.00 C ATOM 1176 C HIS A 78 11.540 -10.445 1.029 1.00 0.00 C ATOM 1177 O HIS A 78 12.247 -11.208 0.372 1.00 0.00 O ATOM 1178 CB HIS A 78 11.367 -8.271 -0.291 1.00 0.00 C ATOM 1179 CG HIS A 78 12.369 -7.626 0.637 1.00 0.00 C ATOM 1180 ND1 HIS A 78 12.357 -7.472 1.992 1.00 0.00 N flip ATOM 1181 CD2 HIS A 78 13.545 -7.051 0.188 1.00 0.00 C flip ATOM 1182 CE1 HIS A 78 13.466 -6.838 2.352 1.00 0.00 C flip ATOM 1183 NE2 HIS A 78 14.203 -6.575 1.235 1.00 0.00 N flip ATOM 0 H HIS A 78 9.622 -7.978 1.444 1.00 0.00 H new ATOM 0 HA HIS A 78 10.133 -9.972 -0.498 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.885 -8.615 -1.186 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.646 -7.519 -0.610 1.00 0.00 H new ATOM 0 HD2 HIS A 78 13.871 -6.999 -0.840 1.00 0.00 H new ATOM 0 HE1 HIS A 78 13.740 -6.574 3.363 1.00 0.00 H new ATOM 0 HE2 HIS A 78 15.103 -6.096 1.210 1.00 0.00 H new ATOM 1191 N GLU A 79 11.507 -10.405 2.353 1.00 0.00 N ATOM 1192 CA GLU A 79 12.336 -11.294 3.149 1.00 0.00 C ATOM 1193 C GLU A 79 11.612 -12.620 3.391 1.00 0.00 C ATOM 1194 O GLU A 79 12.168 -13.533 3.999 1.00 0.00 O ATOM 1195 CB GLU A 79 12.731 -10.636 4.472 1.00 0.00 C ATOM 1196 CG GLU A 79 14.059 -9.887 4.337 1.00 0.00 C ATOM 1197 CD GLU A 79 15.210 -10.857 4.065 1.00 0.00 C ATOM 1198 OE1 GLU A 79 15.569 -11.591 5.010 1.00 0.00 O ATOM 1199 OE2 GLU A 79 15.706 -10.841 2.917 1.00 0.00 O ATOM 0 H GLU A 79 10.919 -9.771 2.894 1.00 0.00 H new ATOM 0 HA GLU A 79 13.252 -11.499 2.595 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.949 -9.944 4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 79 12.815 -11.396 5.249 1.00 0.00 H new ATOM 0 HG2 GLU A 79 13.991 -9.162 3.526 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.259 -9.327 5.250 1.00 0.00 H new ATOM 1206 N GLY A 80 10.382 -12.683 2.902 1.00 0.00 N ATOM 1207 CA GLY A 80 9.576 -13.883 3.057 1.00 0.00 C ATOM 1208 C GLY A 80 8.601 -13.740 4.228 1.00 0.00 C ATOM 1209 O GLY A 80 7.519 -14.325 4.214 1.00 0.00 O ATOM 0 H GLY A 80 9.924 -11.923 2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.021 -14.074 2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.225 -14.743 3.222 1.00 0.00 H new ATOM 1213 N GLU A 81 9.020 -12.959 5.213 1.00 0.00 N ATOM 1214 CA GLU A 81 8.197 -12.732 6.389 1.00 0.00 C ATOM 1215 C GLU A 81 6.774 -12.350 5.976 1.00 0.00 C ATOM 1216 O GLU A 81 6.557 -11.850 4.873 1.00 0.00 O ATOM 1217 CB GLU A 81 8.813 -11.660 7.291 1.00 0.00 C ATOM 1218 CG GLU A 81 9.902 -12.256 8.185 1.00 0.00 C ATOM 1219 CD GLU A 81 10.884 -11.177 8.646 1.00 0.00 C ATOM 1220 OE1 GLU A 81 11.320 -10.396 7.772 1.00 0.00 O ATOM 1221 OE2 GLU A 81 11.176 -11.157 9.861 1.00 0.00 O ATOM 0 H GLU A 81 9.918 -12.476 5.221 1.00 0.00 H new ATOM 0 HA GLU A 81 8.152 -13.659 6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.236 -10.863 6.679 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.036 -11.209 7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.445 -12.732 9.053 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.439 -13.033 7.641 1.00 0.00 H new ATOM 1228 N THR A 82 5.842 -12.599 6.883 1.00 0.00 N ATOM 1229 CA THR A 82 4.446 -12.287 6.627 1.00 0.00 C ATOM 1230 C THR A 82 3.887 -11.392 7.735 1.00 0.00 C ATOM 1231 O THR A 82 4.417 -11.368 8.845 1.00 0.00 O ATOM 1232 CB THR A 82 3.687 -13.607 6.472 1.00 0.00 C ATOM 1233 OG1 THR A 82 4.180 -14.418 7.536 1.00 0.00 O ATOM 1234 CG2 THR A 82 4.088 -14.368 5.207 1.00 0.00 C ATOM 0 H THR A 82 6.026 -13.013 7.797 1.00 0.00 H new ATOM 0 HA THR A 82 4.331 -11.718 5.704 1.00 0.00 H new ATOM 0 HB THR A 82 2.615 -13.409 6.452 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.739 -15.293 7.512 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.520 -15.296 5.146 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.877 -13.755 4.331 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.153 -14.596 5.242 1.00 0.00 H new ATOM 1242 N SER A 83 2.824 -10.678 7.395 1.00 0.00 N ATOM 1243 CA SER A 83 2.188 -9.783 8.346 1.00 0.00 C ATOM 1244 C SER A 83 0.788 -9.408 7.857 1.00 0.00 C ATOM 1245 O SER A 83 0.528 -9.401 6.655 1.00 0.00 O ATOM 1246 CB SER A 83 3.029 -8.524 8.566 1.00 0.00 C ATOM 1247 OG SER A 83 4.350 -8.833 9.001 1.00 0.00 O ATOM 0 H SER A 83 2.387 -10.701 6.474 1.00 0.00 H new ATOM 0 HA SER A 83 2.105 -10.302 9.301 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.077 -7.954 7.638 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.543 -7.888 9.306 1.00 0.00 H new ATOM 0 HG SER A 83 4.375 -9.750 9.345 1.00 0.00 H new ATOM 1253 N TYR A 84 -0.077 -9.104 8.813 1.00 0.00 N ATOM 1254 CA TYR A 84 -1.444 -8.729 8.495 1.00 0.00 C ATOM 1255 C TYR A 84 -1.587 -7.208 8.402 1.00 0.00 C ATOM 1256 O TYR A 84 -1.483 -6.509 9.409 1.00 0.00 O ATOM 1257 CB TYR A 84 -2.303 -9.241 9.653 1.00 0.00 C ATOM 1258 CG TYR A 84 -3.405 -10.213 9.227 1.00 0.00 C ATOM 1259 CD1 TYR A 84 -3.181 -11.100 8.194 1.00 0.00 C ATOM 1260 CD2 TYR A 84 -4.622 -10.203 9.877 1.00 0.00 C ATOM 1261 CE1 TYR A 84 -4.219 -12.015 7.794 1.00 0.00 C ATOM 1262 CE2 TYR A 84 -5.660 -11.118 9.477 1.00 0.00 C ATOM 1263 CZ TYR A 84 -5.407 -11.979 8.455 1.00 0.00 C ATOM 1264 OH TYR A 84 -6.386 -12.843 8.077 1.00 0.00 O ATOM 0 H TYR A 84 0.143 -9.110 9.809 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.744 -9.150 7.535 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.658 -9.735 10.380 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.759 -8.389 10.158 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.228 -11.108 7.686 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.796 -9.509 10.686 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -4.057 -12.714 6.987 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.617 -11.120 9.977 1.00 0.00 H new ATOM 0 HH TYR A 84 -7.178 -12.705 8.637 1.00 0.00 H new ATOM 1274 N ILE A 85 -1.824 -6.741 7.185 1.00 0.00 N ATOM 1275 CA ILE A 85 -1.983 -5.316 6.948 1.00 0.00 C ATOM 1276 C ILE A 85 -3.445 -5.021 6.604 1.00 0.00 C ATOM 1277 O ILE A 85 -4.042 -5.708 5.777 1.00 0.00 O ATOM 1278 CB ILE A 85 -0.992 -4.836 5.887 1.00 0.00 C ATOM 1279 CG1 ILE A 85 -1.255 -5.517 4.542 1.00 0.00 C ATOM 1280 CG2 ILE A 85 0.451 -5.031 6.356 1.00 0.00 C ATOM 1281 CD1 ILE A 85 -0.740 -4.661 3.383 1.00 0.00 C ATOM 0 H ILE A 85 -1.910 -7.324 6.352 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.747 -4.751 7.850 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.141 -3.766 5.740 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.768 -6.492 4.523 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.324 -5.692 4.422 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.135 -4.682 5.583 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.616 -4.462 7.271 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.631 -6.089 6.549 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.940 -5.168 2.439 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.247 -3.696 3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.334 -4.508 3.493 1.00 0.00 H new ATOM 1293 N ARG A 86 -3.978 -3.998 7.255 1.00 0.00 N ATOM 1294 CA ARG A 86 -5.357 -3.603 7.028 1.00 0.00 C ATOM 1295 C ARG A 86 -5.431 -2.532 5.939 1.00 0.00 C ATOM 1296 O ARG A 86 -4.481 -1.775 5.742 1.00 0.00 O ATOM 1297 CB ARG A 86 -5.993 -3.061 8.310 1.00 0.00 C ATOM 1298 CG ARG A 86 -7.115 -3.981 8.797 1.00 0.00 C ATOM 1299 CD ARG A 86 -8.437 -3.649 8.102 1.00 0.00 C ATOM 1300 NE ARG A 86 -9.542 -3.657 9.086 1.00 0.00 N ATOM 1301 CZ ARG A 86 -9.610 -2.842 10.147 1.00 0.00 C ATOM 1302 NH1 ARG A 86 -8.636 -1.947 10.368 1.00 0.00 N ATOM 1303 NH2 ARG A 86 -10.651 -2.920 10.987 1.00 0.00 N ATOM 0 H ARG A 86 -3.479 -3.430 7.940 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.906 -4.489 6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.233 -2.967 9.086 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.390 -2.062 8.129 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.849 -5.020 8.602 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.232 -3.879 9.876 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.371 -2.671 7.625 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.636 -4.375 7.314 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.300 -4.325 8.948 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.844 -1.887 9.728 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.687 -1.326 11.176 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.392 -3.600 10.819 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.702 -2.299 11.795 1.00 0.00 H new ATOM 1317 N VAL A 87 -6.567 -2.501 5.259 1.00 0.00 N ATOM 1318 CA VAL A 87 -6.777 -1.535 4.194 1.00 0.00 C ATOM 1319 C VAL A 87 -7.950 -0.624 4.561 1.00 0.00 C ATOM 1320 O VAL A 87 -9.089 -1.079 4.654 1.00 0.00 O ATOM 1321 CB VAL A 87 -6.977 -2.260 2.861 1.00 0.00 C ATOM 1322 CG1 VAL A 87 -6.587 -1.363 1.685 1.00 0.00 C ATOM 1323 CG2 VAL A 87 -6.197 -3.576 2.830 1.00 0.00 C ATOM 0 H VAL A 87 -7.353 -3.130 5.425 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.898 -0.901 4.075 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.037 -2.497 2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.739 -1.902 0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.206 -0.466 1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.538 -1.081 1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.356 -4.071 1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.134 -3.372 2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.544 -4.224 3.635 1.00 0.00 H new ATOM 1333 N TYR A 88 -7.631 0.646 4.760 1.00 0.00 N ATOM 1334 CA TYR A 88 -8.644 1.625 5.115 1.00 0.00 C ATOM 1335 C TYR A 88 -8.337 2.985 4.485 1.00 0.00 C ATOM 1336 O TYR A 88 -7.188 3.277 4.158 1.00 0.00 O ATOM 1337 CB TYR A 88 -8.587 1.758 6.638 1.00 0.00 C ATOM 1338 CG TYR A 88 -7.194 2.085 7.182 1.00 0.00 C ATOM 1339 CD1 TYR A 88 -6.221 1.107 7.219 1.00 0.00 C ATOM 1340 CD2 TYR A 88 -6.912 3.357 7.637 1.00 0.00 C ATOM 1341 CE1 TYR A 88 -4.910 1.415 7.731 1.00 0.00 C ATOM 1342 CE2 TYR A 88 -5.602 3.664 8.149 1.00 0.00 C ATOM 1343 CZ TYR A 88 -4.666 2.678 8.170 1.00 0.00 C ATOM 1344 OH TYR A 88 -3.428 2.968 8.654 1.00 0.00 O ATOM 0 H TYR A 88 -6.685 1.020 4.682 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.624 1.308 4.759 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.281 2.539 6.951 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.932 0.827 7.087 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.442 0.111 6.864 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.674 4.122 7.609 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.139 0.660 7.765 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.368 4.655 8.508 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.397 3.908 8.931 1.00 0.00 H new ATOM 1354 N PRO A 89 -9.413 3.802 4.329 1.00 0.00 N ATOM 1355 CA PRO A 89 -9.271 5.124 3.743 1.00 0.00 C ATOM 1356 C PRO A 89 -8.632 6.098 4.736 1.00 0.00 C ATOM 1357 O PRO A 89 -8.264 5.708 5.843 1.00 0.00 O ATOM 1358 CB PRO A 89 -10.678 5.529 3.337 1.00 0.00 C ATOM 1359 CG PRO A 89 -11.615 4.627 4.125 1.00 0.00 C ATOM 1360 CD PRO A 89 -10.789 3.490 4.705 1.00 0.00 C ATOM 0 HA PRO A 89 -8.605 5.132 2.880 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -10.863 6.579 3.565 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -10.826 5.404 2.264 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.105 5.188 4.921 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -12.402 4.237 3.479 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -10.900 3.432 5.788 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -11.101 2.527 4.301 1.00 0.00 H new ATOM 1368 N GLU A 90 -8.520 7.345 4.304 1.00 0.00 N ATOM 1369 CA GLU A 90 -7.932 8.377 5.141 1.00 0.00 C ATOM 1370 C GLU A 90 -9.017 9.078 5.961 1.00 0.00 C ATOM 1371 O GLU A 90 -9.556 10.100 5.539 1.00 0.00 O ATOM 1372 CB GLU A 90 -7.145 9.383 4.299 1.00 0.00 C ATOM 1373 CG GLU A 90 -5.821 9.747 4.975 1.00 0.00 C ATOM 1374 CD GLU A 90 -5.612 11.263 4.991 1.00 0.00 C ATOM 1375 OE1 GLU A 90 -5.346 11.810 3.899 1.00 0.00 O ATOM 1376 OE2 GLU A 90 -5.723 11.840 6.094 1.00 0.00 O ATOM 0 H GLU A 90 -8.826 7.664 3.385 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.233 7.904 5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.950 8.963 3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.741 10.283 4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.812 9.364 5.996 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.996 9.268 4.448 1.00 0.00 H new