USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 731 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 29 GLN : amide:sc= 0.425 K(o=2.3,f=-8.7!) USER MOD Set 1.2: A 48 LYS NZ :NH3+ 155:sc= 1.87 (180deg=0.123) USER MOD Single : A 31 SER OG : rot 87:sc= -0.0519 USER MOD Single : A 32 GLN : amide:sc= -0.267 K(o=-0.27,f=-0.96) USER MOD Single : A 34 SER OG : rot -22:sc= 1.22 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.188 X(o=-0.19,f=0) USER MOD Single : A 45 ASN : amide:sc= 0.849 K(o=0.85,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.244 X(o=-0.24,f=-0.43) USER MOD Single : A 56 CYS SG : rot 180:sc= -0.019 USER MOD Single : A 58 HIS : no HD1:sc= 0.575 K(o=2.1,f=-8.8!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0911 USER MOD Single : A 63 GLN : amide:sc= -0.607 K(o=-0.61,f=-1.7) USER MOD Single : A 65 HIS : no HD1:sc= -0.0726 X(o=-0.073,f=-0.21) USER MOD Single : A 67 ASN : amide:sc= 0.83 K(o=0.83,f=-1.5) USER MOD Single : A 68 ASN : amide:sc= -0.0585 K(o=-0.058,f=-0.84) USER MOD Single : A 72 GLN : amide:sc= -0.246 K(o=-0.25,f=-5.3!) USER MOD Single : A 73 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.57) USER MOD Single : A 74 LYS NZ :NH3+ 135:sc= 1.3 (180deg=0.419) USER MOD Single : A 80 SER OG : rot 95:sc= 1.36 USER MOD Single : A 81 MET CE :methyl -178:sc= 0 (180deg=-0.00653) USER MOD Single : A 83 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.114) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 130:sc= 0.852 USER MOD Single : A 107 GLN : amide:sc= -0.19 K(o=-0.19,f=-0.95) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 243 N LEU A 16 -0.434 11.478 -4.310 1.00 0.00 N ATOM 244 CA LEU A 16 0.434 10.863 -3.330 1.00 0.00 C ATOM 245 C LEU A 16 0.587 9.368 -3.624 1.00 0.00 C ATOM 246 O LEU A 16 1.690 8.826 -3.558 1.00 0.00 O ATOM 247 CB LEU A 16 -0.207 11.147 -1.966 1.00 0.00 C ATOM 248 CG LEU A 16 0.503 10.511 -0.776 1.00 0.00 C ATOM 249 CD1 LEU A 16 1.927 11.042 -0.684 1.00 0.00 C ATOM 250 CD2 LEU A 16 -0.321 10.826 0.483 1.00 0.00 C ATOM 0 HA LEU A 16 1.446 11.266 -3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.242 12.226 -1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.238 10.795 -1.985 1.00 0.00 H new ATOM 0 HG LEU A 16 0.577 9.429 -0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.431 10.585 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.466 10.797 -1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.904 12.124 -0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.162 10.383 1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.387 11.906 0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.324 10.412 0.375 1.00 0.00 H new ATOM 262 N ALA A 17 -0.505 8.696 -3.996 1.00 0.00 N ATOM 263 CA ALA A 17 -0.459 7.308 -4.414 1.00 0.00 C ATOM 264 C ALA A 17 0.346 7.118 -5.697 1.00 0.00 C ATOM 265 O ALA A 17 0.930 6.053 -5.873 1.00 0.00 O ATOM 266 CB ALA A 17 -1.869 6.769 -4.648 1.00 0.00 C ATOM 0 H ALA A 17 -1.440 9.104 -4.013 1.00 0.00 H new ATOM 0 HA ALA A 17 0.029 6.760 -3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.813 5.726 -4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.444 6.840 -3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.358 7.355 -5.426 1.00 0.00 H new ATOM 272 N ALA A 18 0.365 8.104 -6.598 1.00 0.00 N ATOM 273 CA ALA A 18 1.135 8.022 -7.825 1.00 0.00 C ATOM 274 C ALA A 18 2.613 7.898 -7.483 1.00 0.00 C ATOM 275 O ALA A 18 3.275 7.028 -8.038 1.00 0.00 O ATOM 276 CB ALA A 18 0.888 9.230 -8.731 1.00 0.00 C ATOM 0 H ALA A 18 -0.154 8.976 -6.491 1.00 0.00 H new ATOM 0 HA ALA A 18 0.813 7.139 -8.377 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.482 9.131 -9.639 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.169 9.278 -8.993 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.174 10.142 -8.207 1.00 0.00 H new ATOM 282 N GLU A 19 3.115 8.713 -6.554 1.00 0.00 N ATOM 283 CA GLU A 19 4.487 8.599 -6.072 1.00 0.00 C ATOM 284 C GLU A 19 4.726 7.246 -5.397 1.00 0.00 C ATOM 285 O GLU A 19 5.759 6.624 -5.626 1.00 0.00 O ATOM 286 CB GLU A 19 4.807 9.720 -5.086 1.00 0.00 C ATOM 287 CG GLU A 19 5.193 11.031 -5.772 1.00 0.00 C ATOM 288 CD GLU A 19 5.950 11.930 -4.796 1.00 0.00 C ATOM 289 OE1 GLU A 19 7.089 11.586 -4.419 1.00 0.00 O ATOM 290 OE2 GLU A 19 5.411 13.000 -4.418 1.00 0.00 O ATOM 0 H GLU A 19 2.583 9.466 -6.118 1.00 0.00 H new ATOM 0 HA GLU A 19 5.145 8.681 -6.937 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.940 9.892 -4.448 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.623 9.403 -4.437 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.813 10.825 -6.645 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.298 11.541 -6.129 1.00 0.00 H new ATOM 297 N ALA A 20 3.768 6.759 -4.601 1.00 0.00 N ATOM 298 CA ALA A 20 3.901 5.462 -3.952 1.00 0.00 C ATOM 299 C ALA A 20 4.069 4.374 -5.008 1.00 0.00 C ATOM 300 O ALA A 20 4.939 3.528 -4.872 1.00 0.00 O ATOM 301 CB ALA A 20 2.701 5.182 -3.044 1.00 0.00 C ATOM 0 H ALA A 20 2.896 7.247 -4.395 1.00 0.00 H new ATOM 0 HA ALA A 20 4.789 5.468 -3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.823 4.208 -2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.638 5.953 -2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.787 5.185 -3.638 1.00 0.00 H new ATOM 307 N ILE A 21 3.274 4.416 -6.074 1.00 0.00 N ATOM 308 CA ILE A 21 3.319 3.477 -7.193 1.00 0.00 C ATOM 309 C ILE A 21 4.611 3.646 -8.002 1.00 0.00 C ATOM 310 O ILE A 21 5.169 2.675 -8.515 1.00 0.00 O ATOM 311 CB ILE A 21 2.048 3.726 -8.055 1.00 0.00 C ATOM 312 CG1 ILE A 21 0.811 3.135 -7.345 1.00 0.00 C ATOM 313 CG2 ILE A 21 2.160 3.226 -9.506 1.00 0.00 C ATOM 314 CD1 ILE A 21 -0.519 3.686 -7.865 1.00 0.00 C ATOM 0 H ILE A 21 2.555 5.130 -6.187 1.00 0.00 H new ATOM 0 HA ILE A 21 3.325 2.447 -6.837 1.00 0.00 H new ATOM 0 HB ILE A 21 1.938 4.807 -8.143 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.817 2.052 -7.465 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.885 3.338 -6.277 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.232 3.439 -10.037 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.987 3.734 -10.003 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.341 2.151 -9.508 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.342 3.225 -7.319 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.547 4.766 -7.720 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.616 3.460 -8.927 1.00 0.00 H new ATOM 326 N GLU A 22 5.095 4.880 -8.122 1.00 0.00 N ATOM 327 CA GLU A 22 6.307 5.224 -8.846 1.00 0.00 C ATOM 328 C GLU A 22 7.536 4.674 -8.090 1.00 0.00 C ATOM 329 O GLU A 22 8.625 4.581 -8.667 1.00 0.00 O ATOM 330 CB GLU A 22 6.311 6.757 -9.014 1.00 0.00 C ATOM 331 CG GLU A 22 7.481 7.368 -9.786 1.00 0.00 C ATOM 332 CD GLU A 22 7.550 6.843 -11.220 1.00 0.00 C ATOM 333 OE1 GLU A 22 6.505 6.791 -11.908 1.00 0.00 O ATOM 334 OE2 GLU A 22 8.654 6.443 -11.660 1.00 0.00 O ATOM 0 H GLU A 22 4.637 5.690 -7.704 1.00 0.00 H new ATOM 0 HA GLU A 22 6.347 4.772 -9.837 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.387 7.045 -9.515 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.289 7.207 -8.021 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.380 8.453 -9.801 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.414 7.142 -9.271 1.00 0.00 H new ATOM 341 N ARG A 23 7.367 4.244 -6.832 1.00 0.00 N ATOM 342 CA ARG A 23 8.416 3.693 -5.985 1.00 0.00 C ATOM 343 C ARG A 23 8.220 2.196 -5.725 1.00 0.00 C ATOM 344 O ARG A 23 9.188 1.432 -5.804 1.00 0.00 O ATOM 345 CB ARG A 23 8.426 4.476 -4.655 1.00 0.00 C ATOM 346 CG ARG A 23 9.842 4.522 -4.091 1.00 0.00 C ATOM 347 CD ARG A 23 9.881 5.268 -2.757 1.00 0.00 C ATOM 348 NE ARG A 23 11.240 5.750 -2.489 1.00 0.00 N ATOM 349 CZ ARG A 23 11.738 6.913 -2.929 1.00 0.00 C ATOM 350 NH1 ARG A 23 10.952 7.875 -3.400 1.00 0.00 N ATOM 351 NH2 ARG A 23 13.048 7.090 -2.917 1.00 0.00 N ATOM 0 H ARG A 23 6.460 4.275 -6.366 1.00 0.00 H new ATOM 0 HA ARG A 23 9.373 3.797 -6.497 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.056 5.489 -4.816 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.755 4.002 -3.939 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.215 3.507 -3.954 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.505 5.012 -4.804 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.187 6.108 -2.781 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.556 4.608 -1.953 1.00 0.00 H new ATOM 0 HE ARG A 23 11.850 5.157 -1.927 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.942 7.738 -3.433 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.359 8.751 -3.728 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.660 6.348 -2.577 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.447 7.968 -3.248 1.00 0.00 H new ATOM 365 N ASP A 24 6.997 1.789 -5.392 1.00 0.00 N ATOM 366 CA ASP A 24 6.592 0.451 -4.975 1.00 0.00 C ATOM 367 C ASP A 24 6.072 -0.391 -6.142 1.00 0.00 C ATOM 368 O ASP A 24 5.028 -0.060 -6.716 1.00 0.00 O ATOM 369 CB ASP A 24 5.459 0.529 -3.941 1.00 0.00 C ATOM 370 CG ASP A 24 5.090 -0.851 -3.378 1.00 0.00 C ATOM 371 OD1 ASP A 24 5.841 -1.836 -3.569 1.00 0.00 O ATOM 372 OD2 ASP A 24 4.001 -0.980 -2.780 1.00 0.00 O ATOM 0 H ASP A 24 6.207 2.434 -5.408 1.00 0.00 H new ATOM 0 HA ASP A 24 7.484 -0.015 -4.556 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.760 1.184 -3.124 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.579 0.978 -4.402 1.00 0.00 H new ATOM 377 N PRO A 25 6.736 -1.503 -6.496 1.00 0.00 N ATOM 378 CA PRO A 25 6.214 -2.405 -7.503 1.00 0.00 C ATOM 379 C PRO A 25 4.877 -3.031 -7.090 1.00 0.00 C ATOM 380 O PRO A 25 4.051 -3.274 -7.968 1.00 0.00 O ATOM 381 CB PRO A 25 7.311 -3.445 -7.731 1.00 0.00 C ATOM 382 CG PRO A 25 8.144 -3.417 -6.453 1.00 0.00 C ATOM 383 CD PRO A 25 8.009 -1.978 -5.980 1.00 0.00 C ATOM 0 HA PRO A 25 5.981 -1.876 -8.427 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.888 -4.434 -7.906 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.916 -3.198 -8.603 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.767 -4.121 -5.711 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.184 -3.682 -6.645 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.034 -1.921 -4.892 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.832 -1.367 -6.350 1.00 0.00 H new ATOM 391 N TRP A 26 4.607 -3.264 -5.800 1.00 0.00 N ATOM 392 CA TRP A 26 3.350 -3.893 -5.407 1.00 0.00 C ATOM 393 C TRP A 26 2.191 -2.918 -5.565 1.00 0.00 C ATOM 394 O TRP A 26 1.177 -3.288 -6.152 1.00 0.00 O ATOM 395 CB TRP A 26 3.411 -4.431 -3.979 1.00 0.00 C ATOM 396 CG TRP A 26 2.117 -4.998 -3.469 1.00 0.00 C ATOM 397 CD1 TRP A 26 1.533 -4.644 -2.307 1.00 0.00 C ATOM 398 CD2 TRP A 26 1.233 -6.003 -4.060 1.00 0.00 C ATOM 399 NE1 TRP A 26 0.341 -5.319 -2.140 1.00 0.00 N ATOM 400 CE2 TRP A 26 0.117 -6.193 -3.187 1.00 0.00 C ATOM 401 CE3 TRP A 26 1.281 -6.803 -5.222 1.00 0.00 C ATOM 402 CZ2 TRP A 26 -0.885 -7.145 -3.449 1.00 0.00 C ATOM 403 CZ3 TRP A 26 0.303 -7.781 -5.479 1.00 0.00 C ATOM 404 CH2 TRP A 26 -0.776 -7.951 -4.595 1.00 0.00 C ATOM 0 H TRP A 26 5.231 -3.030 -5.028 1.00 0.00 H new ATOM 0 HA TRP A 26 3.185 -4.742 -6.071 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.177 -5.205 -3.929 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.727 -3.627 -3.315 1.00 0.00 H new ATOM 0 HD1 TRP A 26 1.941 -3.932 -1.605 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.290 -5.190 -1.349 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.085 -6.661 -5.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -1.725 -7.255 -2.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.382 -8.403 -6.358 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -1.524 -8.703 -4.797 1.00 0.00 H new ATOM 415 N ALA A 27 2.325 -1.672 -5.097 1.00 0.00 N ATOM 416 CA ALA A 27 1.290 -0.663 -5.276 1.00 0.00 C ATOM 417 C ALA A 27 0.944 -0.543 -6.760 1.00 0.00 C ATOM 418 O ALA A 27 -0.237 -0.493 -7.110 1.00 0.00 O ATOM 419 CB ALA A 27 1.734 0.697 -4.728 1.00 0.00 C ATOM 0 H ALA A 27 3.146 -1.343 -4.590 1.00 0.00 H new ATOM 0 HA ALA A 27 0.408 -0.975 -4.717 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.938 1.427 -4.878 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.949 0.608 -3.663 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.631 1.025 -5.253 1.00 0.00 H new ATOM 425 N ALA A 28 1.971 -0.518 -7.617 1.00 0.00 N ATOM 426 CA ALA A 28 1.823 -0.446 -9.057 1.00 0.00 C ATOM 427 C ALA A 28 1.069 -1.666 -9.579 1.00 0.00 C ATOM 428 O ALA A 28 0.113 -1.513 -10.341 1.00 0.00 O ATOM 429 CB ALA A 28 3.218 -0.345 -9.689 1.00 0.00 C ATOM 0 H ALA A 28 2.944 -0.548 -7.313 1.00 0.00 H new ATOM 0 HA ALA A 28 1.241 0.435 -9.327 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.123 -0.290 -10.773 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.719 0.551 -9.323 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.804 -1.224 -9.420 1.00 0.00 H new ATOM 435 N GLN A 29 1.472 -2.863 -9.146 1.00 0.00 N ATOM 436 CA GLN A 29 0.834 -4.114 -9.535 1.00 0.00 C ATOM 437 C GLN A 29 -0.649 -4.070 -9.155 1.00 0.00 C ATOM 438 O GLN A 29 -1.498 -4.336 -10.000 1.00 0.00 O ATOM 439 CB GLN A 29 1.575 -5.325 -8.925 1.00 0.00 C ATOM 440 CG GLN A 29 2.785 -5.734 -9.787 1.00 0.00 C ATOM 441 CD GLN A 29 3.523 -6.986 -9.296 1.00 0.00 C ATOM 442 OE1 GLN A 29 3.549 -7.322 -8.111 1.00 0.00 O ATOM 443 NE2 GLN A 29 4.132 -7.734 -10.206 1.00 0.00 N ATOM 0 H GLN A 29 2.259 -2.988 -8.509 1.00 0.00 H new ATOM 0 HA GLN A 29 0.895 -4.237 -10.616 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.910 -5.079 -7.917 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.888 -6.167 -8.836 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.446 -5.905 -10.809 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.489 -4.902 -9.820 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.113 -7.459 -11.188 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.620 -8.584 -9.924 1.00 0.00 H new ATOM 452 N VAL A 30 -0.999 -3.671 -7.932 1.00 0.00 N ATOM 453 CA VAL A 30 -2.388 -3.625 -7.480 1.00 0.00 C ATOM 454 C VAL A 30 -3.210 -2.665 -8.327 1.00 0.00 C ATOM 455 O VAL A 30 -4.345 -2.980 -8.690 1.00 0.00 O ATOM 456 CB VAL A 30 -2.444 -3.228 -5.988 1.00 0.00 C ATOM 457 CG1 VAL A 30 -3.866 -2.957 -5.465 1.00 0.00 C ATOM 458 CG2 VAL A 30 -1.838 -4.323 -5.117 1.00 0.00 C ATOM 0 H VAL A 30 -0.326 -3.370 -7.227 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.822 -4.618 -7.596 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.875 -2.300 -5.924 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.820 -2.685 -4.411 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.313 -2.140 -6.032 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.474 -3.854 -5.582 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.887 -4.024 -4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.396 -5.249 -5.256 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.797 -4.480 -5.401 1.00 0.00 H new ATOM 468 N SER A 31 -2.654 -1.505 -8.657 1.00 0.00 N ATOM 469 CA SER A 31 -3.344 -0.544 -9.489 1.00 0.00 C ATOM 470 C SER A 31 -3.535 -1.074 -10.910 1.00 0.00 C ATOM 471 O SER A 31 -4.558 -0.758 -11.525 1.00 0.00 O ATOM 472 CB SER A 31 -2.562 0.765 -9.445 1.00 0.00 C ATOM 473 OG SER A 31 -2.809 1.409 -8.208 1.00 0.00 O ATOM 0 H SER A 31 -1.724 -1.213 -8.357 1.00 0.00 H new ATOM 0 HA SER A 31 -4.350 -0.366 -9.110 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.496 0.571 -9.562 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.861 1.410 -10.271 1.00 0.00 H new ATOM 0 HG SER A 31 -2.178 1.078 -7.535 1.00 0.00 H new ATOM 479 N GLN A 32 -2.635 -1.930 -11.397 1.00 0.00 N ATOM 480 CA GLN A 32 -2.742 -2.523 -12.720 1.00 0.00 C ATOM 481 C GLN A 32 -3.803 -3.632 -12.676 1.00 0.00 C ATOM 482 O GLN A 32 -4.581 -3.776 -13.618 1.00 0.00 O ATOM 483 CB GLN A 32 -1.356 -3.044 -13.135 1.00 0.00 C ATOM 484 CG GLN A 32 -1.354 -3.657 -14.537 1.00 0.00 C ATOM 485 CD GLN A 32 -0.073 -4.440 -14.793 1.00 0.00 C ATOM 486 OE1 GLN A 32 0.090 -5.537 -14.270 1.00 0.00 O ATOM 487 NE2 GLN A 32 0.844 -3.947 -15.604 1.00 0.00 N ATOM 0 H GLN A 32 -1.810 -2.229 -10.878 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.059 -1.794 -13.466 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.638 -2.224 -13.100 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.022 -3.791 -12.415 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.215 -4.316 -14.650 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.456 -2.868 -15.282 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.704 -3.034 -16.037 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.692 -4.479 -15.798 1.00 0.00 H new ATOM 496 N LEU A 33 -3.875 -4.393 -11.575 1.00 0.00 N ATOM 497 CA LEU A 33 -4.913 -5.403 -11.346 1.00 0.00 C ATOM 498 C LEU A 33 -6.283 -4.745 -11.212 1.00 0.00 C ATOM 499 O LEU A 33 -7.307 -5.357 -11.528 1.00 0.00 O ATOM 500 CB LEU A 33 -4.651 -6.179 -10.043 1.00 0.00 C ATOM 501 CG LEU A 33 -3.425 -7.096 -10.007 1.00 0.00 C ATOM 502 CD1 LEU A 33 -3.382 -7.894 -8.697 1.00 0.00 C ATOM 503 CD2 LEU A 33 -3.465 -8.032 -11.207 1.00 0.00 C ATOM 0 H LEU A 33 -3.204 -4.322 -10.810 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.891 -6.079 -12.201 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.555 -5.456 -9.233 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.532 -6.784 -9.828 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.521 -6.489 -10.054 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.503 -8.539 -8.692 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.331 -7.206 -7.853 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.281 -8.505 -8.613 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.594 -8.687 -11.186 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.373 -8.634 -11.169 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.456 -7.446 -12.126 1.00 0.00 H new ATOM 515 N SER A 34 -6.272 -3.511 -10.719 1.00 0.00 N ATOM 516 CA SER A 34 -7.403 -2.645 -10.426 1.00 0.00 C ATOM 517 C SER A 34 -8.413 -3.375 -9.528 1.00 0.00 C ATOM 518 O SER A 34 -9.515 -3.752 -9.946 1.00 0.00 O ATOM 519 CB SER A 34 -7.980 -2.072 -11.729 1.00 0.00 C ATOM 520 OG SER A 34 -6.956 -1.565 -12.578 1.00 0.00 O ATOM 0 H SER A 34 -5.389 -3.052 -10.495 1.00 0.00 H new ATOM 0 HA SER A 34 -7.085 -1.777 -9.848 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.537 -2.849 -12.253 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.687 -1.276 -11.495 1.00 0.00 H new ATOM 0 HG SER A 34 -6.162 -1.354 -12.043 1.00 0.00 H new ATOM 526 N LEU A 35 -8.006 -3.616 -8.277 1.00 0.00 N ATOM 527 CA LEU A 35 -8.823 -4.303 -7.273 1.00 0.00 C ATOM 528 C LEU A 35 -10.068 -3.476 -6.916 1.00 0.00 C ATOM 529 O LEU A 35 -10.086 -2.263 -7.148 1.00 0.00 O ATOM 530 CB LEU A 35 -7.987 -4.627 -6.014 1.00 0.00 C ATOM 531 CG LEU A 35 -7.316 -6.013 -6.061 1.00 0.00 C ATOM 532 CD1 LEU A 35 -6.399 -6.183 -7.262 1.00 0.00 C ATOM 533 CD2 LEU A 35 -6.483 -6.254 -4.803 1.00 0.00 C ATOM 0 H LEU A 35 -7.089 -3.336 -7.930 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.164 -5.246 -7.701 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.218 -3.864 -5.892 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.631 -4.574 -5.136 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.131 -6.733 -6.134 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.954 -7.178 -7.242 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.975 -6.061 -8.179 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.610 -5.432 -7.226 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.018 -7.238 -4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.708 -5.491 -4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.127 -6.205 -3.925 1.00 0.00 H new ATOM 545 N PRO A 36 -11.111 -4.108 -6.347 1.00 0.00 N ATOM 546 CA PRO A 36 -12.342 -3.428 -5.979 1.00 0.00 C ATOM 547 C PRO A 36 -12.179 -2.695 -4.635 1.00 0.00 C ATOM 548 O PRO A 36 -11.522 -1.657 -4.610 1.00 0.00 O ATOM 549 CB PRO A 36 -13.399 -4.528 -6.007 1.00 0.00 C ATOM 550 CG PRO A 36 -12.634 -5.777 -5.563 1.00 0.00 C ATOM 551 CD PRO A 36 -11.256 -5.549 -6.180 1.00 0.00 C ATOM 0 HA PRO A 36 -12.635 -2.626 -6.656 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.227 -4.305 -5.334 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.823 -4.651 -7.004 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.585 -5.860 -4.477 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.099 -6.691 -5.932 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.472 -5.946 -5.535 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.170 -6.061 -7.138 1.00 0.00 H new ATOM 559 N LYS A 37 -12.735 -3.202 -3.523 1.00 0.00 N ATOM 560 CA LYS A 37 -12.746 -2.523 -2.224 1.00 0.00 C ATOM 561 C LYS A 37 -12.264 -3.442 -1.110 1.00 0.00 C ATOM 562 O LYS A 37 -11.193 -3.195 -0.573 1.00 0.00 O ATOM 563 CB LYS A 37 -14.150 -1.941 -1.945 1.00 0.00 C ATOM 564 CG LYS A 37 -14.213 -0.410 -1.874 1.00 0.00 C ATOM 565 CD LYS A 37 -13.653 0.280 -3.124 1.00 0.00 C ATOM 566 CE LYS A 37 -14.060 1.751 -3.133 1.00 0.00 C ATOM 567 NZ LYS A 37 -13.403 2.485 -4.230 1.00 0.00 N ATOM 0 H LYS A 37 -13.197 -4.111 -3.505 1.00 0.00 H new ATOM 0 HA LYS A 37 -12.042 -1.692 -2.255 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.830 -2.282 -2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.516 -2.349 -1.003 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.249 -0.102 -1.731 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.656 -0.071 -1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.567 0.194 -3.141 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.026 -0.215 -4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.142 1.830 -3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.798 2.208 -2.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.701 3.481 -4.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.371 2.429 -4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.674 2.063 -5.141 1.00 0.00 H new ATOM 581 N LEU A 38 -12.989 -4.514 -0.766 1.00 0.00 N ATOM 582 CA LEU A 38 -12.569 -5.399 0.331 1.00 0.00 C ATOM 583 C LEU A 38 -11.207 -6.010 0.001 1.00 0.00 C ATOM 584 O LEU A 38 -10.278 -5.951 0.803 1.00 0.00 O ATOM 585 CB LEU A 38 -13.604 -6.518 0.564 1.00 0.00 C ATOM 586 CG LEU A 38 -13.243 -7.429 1.759 1.00 0.00 C ATOM 587 CD1 LEU A 38 -13.571 -6.732 3.079 1.00 0.00 C ATOM 588 CD2 LEU A 38 -14.013 -8.752 1.714 1.00 0.00 C ATOM 0 H LEU A 38 -13.858 -4.788 -1.224 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.495 -4.809 1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.583 -6.071 0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.685 -7.125 -0.338 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.174 -7.633 1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -13.311 -7.387 3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.000 -5.807 3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.636 -6.505 3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.733 -9.366 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -15.084 -8.551 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.771 -9.282 0.793 1.00 0.00 H new ATOM 600 N VAL A 39 -11.089 -6.586 -1.198 1.00 0.00 N ATOM 601 CA VAL A 39 -9.868 -7.242 -1.647 1.00 0.00 C ATOM 602 C VAL A 39 -8.761 -6.191 -1.791 1.00 0.00 C ATOM 603 O VAL A 39 -7.609 -6.479 -1.473 1.00 0.00 O ATOM 604 CB VAL A 39 -10.123 -8.024 -2.957 1.00 0.00 C ATOM 605 CG1 VAL A 39 -8.961 -8.967 -3.297 1.00 0.00 C ATOM 606 CG2 VAL A 39 -11.415 -8.856 -2.887 1.00 0.00 C ATOM 0 H VAL A 39 -11.843 -6.608 -1.884 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.541 -7.976 -0.910 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.219 -7.269 -3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.181 -9.496 -4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.046 -8.388 -3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.829 -9.688 -2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.556 -9.389 -3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.342 -9.574 -2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.264 -8.195 -2.714 1.00 0.00 H new ATOM 616 N GLU A 40 -9.102 -4.968 -2.225 1.00 0.00 N ATOM 617 CA GLU A 40 -8.140 -3.872 -2.276 1.00 0.00 C ATOM 618 C GLU A 40 -7.613 -3.638 -0.857 1.00 0.00 C ATOM 619 O GLU A 40 -6.405 -3.572 -0.674 1.00 0.00 O ATOM 620 CB GLU A 40 -8.750 -2.586 -2.870 1.00 0.00 C ATOM 621 CG GLU A 40 -7.683 -1.483 -2.937 1.00 0.00 C ATOM 622 CD GLU A 40 -8.224 -0.130 -3.386 1.00 0.00 C ATOM 623 OE1 GLU A 40 -8.799 0.611 -2.551 1.00 0.00 O ATOM 624 OE2 GLU A 40 -8.052 0.208 -4.583 1.00 0.00 O ATOM 0 H GLU A 40 -10.038 -4.720 -2.544 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.320 -4.144 -2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.142 -2.786 -3.867 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.589 -2.255 -2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.226 -1.373 -1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.895 -1.794 -3.622 1.00 0.00 H new ATOM 631 N GLN A 41 -8.487 -3.559 0.153 1.00 0.00 N ATOM 632 CA GLN A 41 -8.080 -3.302 1.526 1.00 0.00 C ATOM 633 C GLN A 41 -7.151 -4.396 2.058 1.00 0.00 C ATOM 634 O GLN A 41 -6.281 -4.107 2.878 1.00 0.00 O ATOM 635 CB GLN A 41 -9.301 -3.109 2.438 1.00 0.00 C ATOM 636 CG GLN A 41 -8.951 -2.175 3.604 1.00 0.00 C ATOM 637 CD GLN A 41 -10.190 -1.505 4.174 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.684 -0.512 3.638 1.00 0.00 O ATOM 639 NE2 GLN A 41 -10.723 -2.029 5.258 1.00 0.00 N ATOM 0 H GLN A 41 -9.494 -3.672 0.035 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.512 -2.372 1.529 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.129 -2.692 1.865 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.633 -4.074 2.822 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.450 -2.743 4.388 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.249 -1.414 3.263 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.300 -2.852 5.688 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.559 -1.612 5.668 1.00 0.00 H new ATOM 648 N VAL A 42 -7.308 -5.638 1.604 1.00 0.00 N ATOM 649 CA VAL A 42 -6.408 -6.734 1.936 1.00 0.00 C ATOM 650 C VAL A 42 -5.043 -6.470 1.296 1.00 0.00 C ATOM 651 O VAL A 42 -4.040 -6.455 2.012 1.00 0.00 O ATOM 652 CB VAL A 42 -7.072 -8.068 1.535 1.00 0.00 C ATOM 653 CG1 VAL A 42 -6.123 -9.269 1.482 1.00 0.00 C ATOM 654 CG2 VAL A 42 -8.168 -8.351 2.565 1.00 0.00 C ATOM 0 H VAL A 42 -8.074 -5.912 0.988 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.223 -6.806 3.008 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.449 -7.950 0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.680 -10.160 1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.336 -9.079 0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.677 -9.424 2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.665 -9.289 2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.724 -8.426 3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.896 -7.540 2.553 1.00 0.00 H new ATOM 664 N ALA A 43 -4.988 -6.214 -0.014 1.00 0.00 N ATOM 665 CA ALA A 43 -3.744 -5.903 -0.710 1.00 0.00 C ATOM 666 C ALA A 43 -3.051 -4.664 -0.124 1.00 0.00 C ATOM 667 O ALA A 43 -1.825 -4.587 -0.119 1.00 0.00 O ATOM 668 CB ALA A 43 -4.040 -5.695 -2.198 1.00 0.00 C ATOM 0 H ALA A 43 -5.809 -6.217 -0.620 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.060 -6.742 -0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.114 -5.462 -2.724 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.474 -6.604 -2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.742 -4.870 -2.317 1.00 0.00 H new ATOM 674 N LEU A 44 -3.836 -3.701 0.361 1.00 0.00 N ATOM 675 CA LEU A 44 -3.404 -2.440 0.944 1.00 0.00 C ATOM 676 C LEU A 44 -2.825 -2.629 2.333 1.00 0.00 C ATOM 677 O LEU A 44 -1.844 -1.965 2.675 1.00 0.00 O ATOM 678 CB LEU A 44 -4.582 -1.459 1.030 1.00 0.00 C ATOM 679 CG LEU A 44 -4.865 -0.665 -0.257 1.00 0.00 C ATOM 680 CD1 LEU A 44 -6.152 0.131 -0.036 1.00 0.00 C ATOM 681 CD2 LEU A 44 -3.754 0.327 -0.637 1.00 0.00 C ATOM 0 H LEU A 44 -4.852 -3.791 0.355 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.627 -2.039 0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.479 -2.016 1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.389 -0.754 1.839 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.937 -1.386 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.382 0.707 -0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.972 -0.555 0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.020 0.809 0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.029 0.847 -1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.624 1.052 0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.821 -0.214 -0.792 1.00 0.00 H new ATOM 693 N ASN A 45 -3.426 -3.491 3.159 1.00 0.00 N ATOM 694 CA ASN A 45 -2.949 -3.679 4.527 1.00 0.00 C ATOM 695 C ASN A 45 -1.802 -4.679 4.581 1.00 0.00 C ATOM 696 O ASN A 45 -1.463 -5.134 5.672 1.00 0.00 O ATOM 697 CB ASN A 45 -4.103 -4.044 5.474 1.00 0.00 C ATOM 698 CG ASN A 45 -4.864 -2.786 5.846 1.00 0.00 C ATOM 699 OD1 ASN A 45 -4.432 -2.014 6.696 1.00 0.00 O ATOM 700 ND2 ASN A 45 -5.972 -2.521 5.189 1.00 0.00 N ATOM 0 H ASN A 45 -4.233 -4.061 2.906 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.547 -2.729 4.880 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.771 -4.758 4.993 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.714 -4.526 6.371 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.487 -1.662 5.383 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.316 -3.174 4.486 1.00 0.00 H new ATOM 707 N ALA A 46 -1.195 -5.038 3.446 1.00 0.00 N ATOM 708 CA ALA A 46 -0.111 -5.989 3.396 1.00 0.00 C ATOM 709 C ALA A 46 1.012 -5.527 2.494 1.00 0.00 C ATOM 710 O ALA A 46 0.784 -4.784 1.547 1.00 0.00 O ATOM 711 CB ALA A 46 -0.650 -7.309 2.847 1.00 0.00 C ATOM 0 H ALA A 46 -1.455 -4.665 2.533 1.00 0.00 H new ATOM 0 HA ALA A 46 0.285 -6.099 4.405 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.157 -8.041 2.802 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.440 -7.679 3.500 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.052 -7.150 1.846 1.00 0.00 H new ATOM 717 N TRP A 47 2.211 -6.019 2.768 1.00 0.00 N ATOM 718 CA TRP A 47 3.383 -5.809 1.938 1.00 0.00 C ATOM 719 C TRP A 47 3.605 -7.151 1.260 1.00 0.00 C ATOM 720 O TRP A 47 3.454 -8.221 1.859 1.00 0.00 O ATOM 721 CB TRP A 47 4.595 -5.322 2.726 1.00 0.00 C ATOM 722 CG TRP A 47 5.050 -6.130 3.897 1.00 0.00 C ATOM 723 CD1 TRP A 47 4.585 -5.991 5.156 1.00 0.00 C ATOM 724 CD2 TRP A 47 6.093 -7.151 3.963 1.00 0.00 C ATOM 725 NE1 TRP A 47 5.310 -6.795 6.004 1.00 0.00 N ATOM 726 CE2 TRP A 47 6.267 -7.522 5.331 1.00 0.00 C ATOM 727 CE3 TRP A 47 6.919 -7.795 3.016 1.00 0.00 C ATOM 728 CZ2 TRP A 47 7.224 -8.460 5.743 1.00 0.00 C ATOM 729 CZ3 TRP A 47 7.882 -8.741 3.421 1.00 0.00 C ATOM 730 CH2 TRP A 47 8.039 -9.072 4.776 1.00 0.00 C ATOM 0 H TRP A 47 2.398 -6.588 3.593 1.00 0.00 H new ATOM 0 HA TRP A 47 3.233 -5.009 1.213 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.432 -5.241 2.032 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.378 -4.315 3.081 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.770 -5.348 5.452 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.157 -6.847 7.011 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.811 -7.560 1.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 7.333 -8.708 6.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 8.507 -9.217 2.680 1.00 0.00 H new ATOM 0 HH2 TRP A 47 8.784 -9.795 5.074 1.00 0.00 H new ATOM 741 N LYS A 48 3.900 -7.093 -0.028 1.00 0.00 N ATOM 742 CA LYS A 48 4.003 -8.262 -0.872 1.00 0.00 C ATOM 743 C LYS A 48 5.392 -8.857 -0.898 1.00 0.00 C ATOM 744 O LYS A 48 6.287 -8.291 -1.528 1.00 0.00 O ATOM 745 CB LYS A 48 3.529 -7.835 -2.268 1.00 0.00 C ATOM 746 CG LYS A 48 3.581 -8.919 -3.349 1.00 0.00 C ATOM 747 CD LYS A 48 4.431 -8.457 -4.541 1.00 0.00 C ATOM 748 CE LYS A 48 4.546 -9.497 -5.661 1.00 0.00 C ATOM 749 NZ LYS A 48 5.396 -9.007 -6.766 1.00 0.00 N ATOM 0 H LYS A 48 4.077 -6.217 -0.520 1.00 0.00 H new ATOM 0 HA LYS A 48 3.380 -9.064 -0.476 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.503 -7.476 -2.189 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.137 -6.992 -2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.998 -9.836 -2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.571 -9.153 -3.685 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.000 -7.543 -4.950 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.431 -8.207 -4.187 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.964 -10.421 -5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.553 -9.735 -6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.801 -9.817 -7.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.822 -8.436 -7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.165 -8.422 -6.380 1.00 0.00 H new ATOM 763 N GLU A 49 5.575 -9.954 -0.171 1.00 0.00 N ATOM 764 CA GLU A 49 6.812 -10.698 -0.246 1.00 0.00 C ATOM 765 C GLU A 49 6.619 -11.583 -1.479 1.00 0.00 C ATOM 766 O GLU A 49 5.497 -11.970 -1.821 1.00 0.00 O ATOM 767 CB GLU A 49 7.044 -11.540 1.011 1.00 0.00 C ATOM 768 CG GLU A 49 8.334 -12.351 0.889 1.00 0.00 C ATOM 769 CD GLU A 49 8.789 -12.877 2.240 1.00 0.00 C ATOM 770 OE1 GLU A 49 8.053 -13.681 2.862 1.00 0.00 O ATOM 771 OE2 GLU A 49 9.871 -12.454 2.703 1.00 0.00 O ATOM 0 H GLU A 49 4.883 -10.340 0.471 1.00 0.00 H new ATOM 0 HA GLU A 49 7.687 -10.051 -0.317 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.098 -10.890 1.885 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.200 -12.212 1.165 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.177 -13.186 0.206 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.117 -11.728 0.457 1.00 0.00 H new ATOM 778 N GLU A 50 7.703 -11.922 -2.155 1.00 0.00 N ATOM 779 CA GLU A 50 7.688 -12.684 -3.384 1.00 0.00 C ATOM 780 C GLU A 50 8.860 -13.658 -3.300 1.00 0.00 C ATOM 781 O GLU A 50 9.959 -13.289 -2.865 1.00 0.00 O ATOM 782 CB GLU A 50 7.716 -11.659 -4.522 1.00 0.00 C ATOM 783 CG GLU A 50 8.047 -12.175 -5.923 1.00 0.00 C ATOM 784 CD GLU A 50 8.071 -10.988 -6.890 1.00 0.00 C ATOM 785 OE1 GLU A 50 8.873 -10.047 -6.677 1.00 0.00 O ATOM 786 OE2 GLU A 50 7.242 -10.935 -7.830 1.00 0.00 O ATOM 0 H GLU A 50 8.643 -11.666 -1.852 1.00 0.00 H new ATOM 0 HA GLU A 50 6.807 -13.301 -3.563 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.741 -11.174 -4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.444 -10.890 -4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.013 -12.681 -5.921 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.305 -12.907 -6.241 1.00 0.00 H new ATOM 793 N SER A 51 8.590 -14.907 -3.661 1.00 0.00 N ATOM 794 CA SER A 51 9.469 -16.061 -3.569 1.00 0.00 C ATOM 795 C SER A 51 9.591 -16.670 -4.970 1.00 0.00 C ATOM 796 O SER A 51 8.951 -16.189 -5.909 1.00 0.00 O ATOM 797 CB SER A 51 8.877 -17.071 -2.570 1.00 0.00 C ATOM 798 OG SER A 51 8.262 -16.471 -1.437 1.00 0.00 O ATOM 0 H SER A 51 7.682 -15.155 -4.055 1.00 0.00 H new ATOM 0 HA SER A 51 10.459 -15.778 -3.212 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.141 -17.688 -3.086 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.670 -17.737 -2.230 1.00 0.00 H new ATOM 0 HG SER A 51 7.908 -17.170 -0.848 1.00 0.00 H new ATOM 804 N ASP A 52 10.388 -17.729 -5.137 1.00 0.00 N ATOM 805 CA ASP A 52 10.708 -18.361 -6.428 1.00 0.00 C ATOM 806 C ASP A 52 9.492 -18.562 -7.326 1.00 0.00 C ATOM 807 O ASP A 52 9.582 -18.391 -8.543 1.00 0.00 O ATOM 808 CB ASP A 52 11.341 -19.739 -6.204 1.00 0.00 C ATOM 809 CG ASP A 52 12.788 -19.641 -5.765 1.00 0.00 C ATOM 810 OD1 ASP A 52 13.016 -19.364 -4.567 1.00 0.00 O ATOM 811 OD2 ASP A 52 13.679 -19.877 -6.611 1.00 0.00 O ATOM 0 H ASP A 52 10.847 -18.189 -4.351 1.00 0.00 H new ATOM 0 HA ASP A 52 11.395 -17.674 -6.923 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.770 -20.281 -5.450 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.281 -20.318 -7.125 1.00 0.00 H new ATOM 816 N ASN A 53 8.358 -18.952 -6.743 1.00 0.00 N ATOM 817 CA ASN A 53 7.132 -19.263 -7.468 1.00 0.00 C ATOM 818 C ASN A 53 5.881 -18.817 -6.697 1.00 0.00 C ATOM 819 O ASN A 53 4.763 -19.217 -7.029 1.00 0.00 O ATOM 820 CB ASN A 53 7.123 -20.773 -7.747 1.00 0.00 C ATOM 821 CG ASN A 53 6.038 -21.144 -8.741 1.00 0.00 C ATOM 822 OD1 ASN A 53 5.956 -20.553 -9.817 1.00 0.00 O ATOM 823 ND2 ASN A 53 5.225 -22.132 -8.433 1.00 0.00 N ATOM 0 H ASN A 53 8.267 -19.062 -5.733 1.00 0.00 H new ATOM 0 HA ASN A 53 7.108 -18.712 -8.408 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.095 -21.079 -8.135 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.966 -21.316 -6.815 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.505 -22.425 -9.094 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.315 -22.605 -7.534 1.00 0.00 H new ATOM 830 N ALA A 54 6.040 -17.990 -5.659 1.00 0.00 N ATOM 831 CA ALA A 54 4.948 -17.609 -4.779 1.00 0.00 C ATOM 832 C ALA A 54 4.968 -16.123 -4.495 1.00 0.00 C ATOM 833 O ALA A 54 5.978 -15.448 -4.701 1.00 0.00 O ATOM 834 CB ALA A 54 5.081 -18.375 -3.460 1.00 0.00 C ATOM 0 H ALA A 54 6.935 -17.569 -5.411 1.00 0.00 H new ATOM 0 HA ALA A 54 4.006 -17.852 -5.270 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.265 -18.095 -2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.039 -19.446 -3.656 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.034 -18.129 -2.991 1.00 0.00 H new ATOM 840 N VAL A 55 3.847 -15.636 -3.978 1.00 0.00 N ATOM 841 CA VAL A 55 3.692 -14.270 -3.519 1.00 0.00 C ATOM 842 C VAL A 55 2.944 -14.345 -2.186 1.00 0.00 C ATOM 843 O VAL A 55 1.805 -14.797 -2.140 1.00 0.00 O ATOM 844 CB VAL A 55 3.000 -13.429 -4.611 1.00 0.00 C ATOM 845 CG1 VAL A 55 2.837 -11.988 -4.147 1.00 0.00 C ATOM 846 CG2 VAL A 55 3.832 -13.355 -5.910 1.00 0.00 C ATOM 0 H VAL A 55 3.003 -16.197 -3.865 1.00 0.00 H new ATOM 0 HA VAL A 55 4.640 -13.761 -3.344 1.00 0.00 H new ATOM 0 HB VAL A 55 2.043 -13.917 -4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.347 -11.407 -4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.230 -11.964 -3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.817 -11.560 -3.938 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.302 -12.752 -6.648 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.799 -12.900 -5.697 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.982 -14.360 -6.304 1.00 0.00 H new ATOM 856 N CYS A 56 3.579 -13.950 -1.088 1.00 0.00 N ATOM 857 CA CYS A 56 3.013 -14.053 0.250 1.00 0.00 C ATOM 858 C CYS A 56 2.802 -12.644 0.783 1.00 0.00 C ATOM 859 O CYS A 56 3.754 -11.930 1.098 1.00 0.00 O ATOM 860 CB CYS A 56 3.900 -14.930 1.135 1.00 0.00 C ATOM 861 SG CYS A 56 3.801 -16.640 0.524 1.00 0.00 S ATOM 0 H CYS A 56 4.514 -13.544 -1.104 1.00 0.00 H new ATOM 0 HA CYS A 56 2.042 -14.549 0.238 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.931 -14.576 1.109 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.571 -14.878 2.173 1.00 0.00 H new ATOM 0 HG CYS A 56 4.550 -17.408 1.259 1.00 0.00 H new ATOM 867 N LEU A 57 1.550 -12.205 0.832 1.00 0.00 N ATOM 868 CA LEU A 57 1.182 -10.886 1.319 1.00 0.00 C ATOM 869 C LEU A 57 1.235 -10.869 2.838 1.00 0.00 C ATOM 870 O LEU A 57 0.351 -11.420 3.491 1.00 0.00 O ATOM 871 CB LEU A 57 -0.209 -10.500 0.796 1.00 0.00 C ATOM 872 CG LEU A 57 -0.101 -9.874 -0.600 1.00 0.00 C ATOM 873 CD1 LEU A 57 -1.434 -9.848 -1.337 1.00 0.00 C ATOM 874 CD2 LEU A 57 0.390 -8.429 -0.530 1.00 0.00 C ATOM 0 H LEU A 57 0.753 -12.765 0.530 1.00 0.00 H new ATOM 0 HA LEU A 57 1.891 -10.146 0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.848 -11.382 0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.680 -9.796 1.482 1.00 0.00 H new ATOM 0 HG LEU A 57 0.608 -10.504 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.298 -9.395 -2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.804 -10.866 -1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.155 -9.264 -0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.454 -8.017 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.308 -7.836 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.375 -8.401 -0.063 1.00 0.00 H new ATOM 886 N HIS A 58 2.273 -10.256 3.401 1.00 0.00 N ATOM 887 CA HIS A 58 2.410 -10.038 4.835 1.00 0.00 C ATOM 888 C HIS A 58 1.459 -8.920 5.220 1.00 0.00 C ATOM 889 O HIS A 58 1.781 -7.746 5.052 1.00 0.00 O ATOM 890 CB HIS A 58 3.843 -9.645 5.197 1.00 0.00 C ATOM 891 CG HIS A 58 4.857 -10.753 5.133 1.00 0.00 C ATOM 892 ND1 HIS A 58 5.652 -11.186 6.183 1.00 0.00 N ATOM 893 CD2 HIS A 58 5.270 -11.382 3.993 1.00 0.00 C ATOM 894 CE1 HIS A 58 6.523 -12.078 5.682 1.00 0.00 C ATOM 895 NE2 HIS A 58 6.295 -12.232 4.365 1.00 0.00 N ATOM 0 H HIS A 58 3.057 -9.890 2.861 1.00 0.00 H new ATOM 0 HA HIS A 58 2.175 -10.957 5.372 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.162 -8.846 4.527 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.844 -9.234 6.207 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.874 -11.243 2.998 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.287 -12.591 6.248 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.795 -12.869 3.745 1.00 0.00 H new ATOM 904 N LEU A 59 0.285 -9.281 5.713 1.00 0.00 N ATOM 905 CA LEU A 59 -0.784 -8.388 6.113 1.00 0.00 C ATOM 906 C LEU A 59 -0.527 -8.008 7.556 1.00 0.00 C ATOM 907 O LEU A 59 -0.212 -8.874 8.374 1.00 0.00 O ATOM 908 CB LEU A 59 -2.106 -9.164 5.988 1.00 0.00 C ATOM 909 CG LEU A 59 -3.399 -8.371 6.287 1.00 0.00 C ATOM 910 CD1 LEU A 59 -4.150 -8.003 5.001 1.00 0.00 C ATOM 911 CD2 LEU A 59 -4.333 -9.240 7.133 1.00 0.00 C ATOM 0 H LEU A 59 0.042 -10.262 5.851 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.833 -7.490 5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.175 -9.561 4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.066 -10.019 6.663 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.113 -7.457 6.808 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.053 -7.447 5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.509 -7.388 4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.422 -8.913 4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.248 -8.688 7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.579 -10.150 6.585 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.838 -9.502 8.068 1.00 0.00 H new ATOM 923 N ARG A 60 -0.657 -6.722 7.875 1.00 0.00 N ATOM 924 CA ARG A 60 -0.570 -6.263 9.249 1.00 0.00 C ATOM 925 C ARG A 60 -1.642 -7.040 10.001 1.00 0.00 C ATOM 926 O ARG A 60 -2.829 -6.923 9.688 1.00 0.00 O ATOM 927 CB ARG A 60 -0.805 -4.745 9.353 1.00 0.00 C ATOM 928 CG ARG A 60 0.288 -3.855 8.734 1.00 0.00 C ATOM 929 CD ARG A 60 1.600 -3.846 9.535 1.00 0.00 C ATOM 930 NE ARG A 60 2.362 -2.607 9.298 1.00 0.00 N ATOM 931 CZ ARG A 60 3.497 -2.413 8.621 1.00 0.00 C ATOM 932 NH1 ARG A 60 4.103 -3.398 7.969 1.00 0.00 N ATOM 933 NH2 ARG A 60 4.031 -1.199 8.601 1.00 0.00 N ATOM 0 H ARG A 60 -0.823 -5.981 7.194 1.00 0.00 H new ATOM 0 HA ARG A 60 0.422 -6.436 9.666 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.755 -4.509 8.872 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.907 -4.483 10.406 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.493 -4.198 7.720 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.087 -2.835 8.655 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.380 -3.943 10.598 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.206 -4.708 9.255 1.00 0.00 H new ATOM 0 HE ARG A 60 1.960 -1.768 9.716 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.703 -4.336 7.976 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.969 -3.217 7.461 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.575 -0.433 9.097 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.897 -1.031 8.089 1.00 0.00 H new ATOM 947 N SER A 61 -1.240 -7.843 10.984 1.00 0.00 N ATOM 948 CA SER A 61 -2.159 -8.615 11.810 1.00 0.00 C ATOM 949 C SER A 61 -3.140 -7.689 12.556 1.00 0.00 C ATOM 950 O SER A 61 -4.204 -8.119 13.012 1.00 0.00 O ATOM 951 CB SER A 61 -1.313 -9.477 12.742 1.00 0.00 C ATOM 952 OG SER A 61 -2.081 -10.348 13.532 1.00 0.00 O ATOM 0 H SER A 61 -0.259 -7.976 11.230 1.00 0.00 H new ATOM 0 HA SER A 61 -2.790 -9.265 11.203 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.608 -10.060 12.149 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.724 -8.830 13.392 1.00 0.00 H new ATOM 0 HG SER A 61 -1.489 -10.876 14.107 1.00 0.00 H new ATOM 958 N SER A 62 -2.839 -6.393 12.606 1.00 0.00 N ATOM 959 CA SER A 62 -3.672 -5.335 13.137 1.00 0.00 C ATOM 960 C SER A 62 -4.984 -5.218 12.352 1.00 0.00 C ATOM 961 O SER A 62 -5.986 -4.751 12.888 1.00 0.00 O ATOM 962 CB SER A 62 -2.868 -4.031 13.091 1.00 0.00 C ATOM 963 OG SER A 62 -1.472 -4.268 13.219 1.00 0.00 O ATOM 0 H SER A 62 -1.950 -6.040 12.253 1.00 0.00 H new ATOM 0 HA SER A 62 -3.949 -5.557 14.167 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.065 -3.515 12.151 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.200 -3.371 13.892 1.00 0.00 H new ATOM 0 HG SER A 62 -0.991 -3.415 13.184 1.00 0.00 H new ATOM 969 N GLN A 63 -5.013 -5.699 11.107 1.00 0.00 N ATOM 970 CA GLN A 63 -6.183 -5.764 10.240 1.00 0.00 C ATOM 971 C GLN A 63 -6.420 -7.211 9.772 1.00 0.00 C ATOM 972 O GLN A 63 -6.989 -7.436 8.703 1.00 0.00 O ATOM 973 CB GLN A 63 -6.050 -4.750 9.082 1.00 0.00 C ATOM 974 CG GLN A 63 -6.193 -3.277 9.521 1.00 0.00 C ATOM 975 CD GLN A 63 -4.967 -2.716 10.240 1.00 0.00 C ATOM 976 OE1 GLN A 63 -3.832 -3.020 9.884 1.00 0.00 O ATOM 977 NE2 GLN A 63 -5.143 -1.894 11.263 1.00 0.00 N ATOM 0 H GLN A 63 -4.177 -6.072 10.657 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.074 -5.474 10.797 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.079 -4.884 8.604 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.808 -4.970 8.330 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.396 -2.666 8.642 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.058 -3.188 10.178 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.086 -1.642 11.558 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.335 -1.513 11.756 1.00 0.00 H new ATOM 986 N ARG A 64 -6.087 -8.216 10.596 1.00 0.00 N ATOM 987 CA ARG A 64 -6.275 -9.640 10.272 1.00 0.00 C ATOM 988 C ARG A 64 -7.747 -9.946 9.982 1.00 0.00 C ATOM 989 O ARG A 64 -8.033 -10.826 9.173 1.00 0.00 O ATOM 990 CB ARG A 64 -5.765 -10.501 11.453 1.00 0.00 C ATOM 991 CG ARG A 64 -5.663 -12.004 11.143 1.00 0.00 C ATOM 992 CD ARG A 64 -6.310 -12.913 12.194 1.00 0.00 C ATOM 993 NE ARG A 64 -6.451 -14.280 11.666 1.00 0.00 N ATOM 994 CZ ARG A 64 -5.494 -15.207 11.525 1.00 0.00 C ATOM 995 NH1 ARG A 64 -4.264 -15.002 11.986 1.00 0.00 N ATOM 996 NH2 ARG A 64 -5.784 -16.354 10.924 1.00 0.00 N ATOM 0 H ARG A 64 -5.675 -8.062 11.516 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.705 -9.879 9.374 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.783 -10.137 11.755 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.432 -10.362 12.304 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.130 -12.196 10.177 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.611 -12.272 11.047 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.702 -12.926 13.099 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.288 -12.520 12.473 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.389 -14.554 11.373 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.035 -14.127 12.457 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.549 -15.720 11.869 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.727 -16.523 10.575 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.063 -17.067 10.811 1.00 0.00 H new ATOM 1010 N HIS A 65 -8.688 -9.198 10.565 1.00 0.00 N ATOM 1011 CA HIS A 65 -10.108 -9.347 10.259 1.00 0.00 C ATOM 1012 C HIS A 65 -10.472 -9.015 8.808 1.00 0.00 C ATOM 1013 O HIS A 65 -11.542 -9.444 8.370 1.00 0.00 O ATOM 1014 CB HIS A 65 -10.963 -8.553 11.251 1.00 0.00 C ATOM 1015 CG HIS A 65 -10.718 -7.062 11.272 1.00 0.00 C ATOM 1016 ND1 HIS A 65 -11.440 -6.108 10.574 1.00 0.00 N ATOM 1017 CD2 HIS A 65 -9.855 -6.414 12.112 1.00 0.00 C ATOM 1018 CE1 HIS A 65 -11.026 -4.899 10.999 1.00 0.00 C ATOM 1019 NE2 HIS A 65 -10.060 -5.063 11.922 1.00 0.00 N ATOM 0 H HIS A 65 -8.486 -8.477 11.258 1.00 0.00 H new ATOM 0 HA HIS A 65 -10.332 -10.408 10.373 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.014 -8.728 11.020 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.787 -8.947 12.252 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -9.151 -6.871 12.791 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -11.408 -3.949 10.654 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -9.562 -4.313 12.401 1.00 0.00 H new ATOM 1028 N LEU A 66 -9.675 -8.236 8.062 1.00 0.00 N ATOM 1029 CA LEU A 66 -9.942 -8.026 6.636 1.00 0.00 C ATOM 1030 C LEU A 66 -9.623 -9.295 5.854 1.00 0.00 C ATOM 1031 O LEU A 66 -10.335 -9.597 4.900 1.00 0.00 O ATOM 1032 CB LEU A 66 -9.163 -6.837 6.016 1.00 0.00 C ATOM 1033 CG LEU A 66 -9.858 -5.461 6.017 1.00 0.00 C ATOM 1034 CD1 LEU A 66 -11.177 -5.523 5.243 1.00 0.00 C ATOM 1035 CD2 LEU A 66 -10.083 -4.913 7.429 1.00 0.00 C ATOM 0 H LEU A 66 -8.853 -7.749 8.418 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.001 -7.778 6.565 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.218 -6.738 6.549 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.922 -7.093 4.984 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.184 -4.766 5.515 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.652 -4.542 5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.981 -5.818 4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.839 -6.253 5.710 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.575 -3.942 7.368 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.711 -5.604 7.992 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.123 -4.802 7.933 1.00 0.00 H new ATOM 1047 N ASN A 67 -8.559 -10.011 6.232 1.00 0.00 N ATOM 1048 CA ASN A 67 -8.082 -11.171 5.495 1.00 0.00 C ATOM 1049 C ASN A 67 -9.084 -12.309 5.547 1.00 0.00 C ATOM 1050 O ASN A 67 -9.355 -12.878 6.610 1.00 0.00 O ATOM 1051 CB ASN A 67 -6.730 -11.661 6.007 1.00 0.00 C ATOM 1052 CG ASN A 67 -6.322 -12.936 5.280 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -6.655 -13.125 4.116 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -5.623 -13.835 5.936 1.00 0.00 N ATOM 0 H ASN A 67 -8.007 -9.796 7.062 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.961 -10.848 4.461 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.975 -10.890 5.856 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.785 -11.847 7.080 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.350 -14.704 5.477 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.353 -13.664 6.905 1.00 0.00 H new ATOM 1061 N ASN A 68 -9.674 -12.603 4.400 1.00 0.00 N ATOM 1062 CA ASN A 68 -10.564 -13.734 4.194 1.00 0.00 C ATOM 1063 C ASN A 68 -10.183 -14.509 2.936 1.00 0.00 C ATOM 1064 O ASN A 68 -9.737 -13.909 1.957 1.00 0.00 O ATOM 1065 CB ASN A 68 -12.016 -13.256 4.202 1.00 0.00 C ATOM 1066 CG ASN A 68 -12.421 -12.475 2.956 1.00 0.00 C ATOM 1067 OD1 ASN A 68 -11.953 -11.375 2.713 1.00 0.00 O ATOM 1068 ND2 ASN A 68 -13.335 -13.005 2.163 1.00 0.00 N ATOM 0 H ASN A 68 -9.542 -12.042 3.558 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.457 -14.441 5.016 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.671 -14.121 4.305 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.176 -12.629 5.079 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.655 -12.494 1.340 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.721 -13.925 2.374 1.00 0.00 H new ATOM 1075 N ARG A 69 -10.420 -15.826 2.904 1.00 0.00 N ATOM 1076 CA ARG A 69 -10.098 -16.637 1.725 1.00 0.00 C ATOM 1077 C ARG A 69 -10.864 -16.167 0.494 1.00 0.00 C ATOM 1078 O ARG A 69 -10.316 -16.185 -0.604 1.00 0.00 O ATOM 1079 CB ARG A 69 -10.331 -18.134 1.979 1.00 0.00 C ATOM 1080 CG ARG A 69 -9.508 -18.946 0.964 1.00 0.00 C ATOM 1081 CD ARG A 69 -9.559 -20.457 1.192 1.00 0.00 C ATOM 1082 NE ARG A 69 -8.768 -21.144 0.159 1.00 0.00 N ATOM 1083 CZ ARG A 69 -8.703 -22.461 -0.066 1.00 0.00 C ATOM 1084 NH1 ARG A 69 -9.313 -23.324 0.739 1.00 0.00 N ATOM 1085 NH2 ARG A 69 -8.027 -22.909 -1.115 1.00 0.00 N ATOM 0 H ARG A 69 -10.831 -16.350 3.677 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.035 -16.499 1.529 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -10.038 -18.394 2.996 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -11.390 -18.372 1.882 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.871 -18.728 -0.040 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.470 -18.617 1.007 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.170 -20.698 2.181 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.592 -20.804 1.163 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.208 -20.551 -0.453 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.841 -22.986 1.543 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.253 -24.325 0.553 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.563 -22.251 -1.741 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.971 -23.911 -1.296 1.00 0.00 H new ATOM 1099 N GLY A 70 -12.094 -15.694 0.682 1.00 0.00 N ATOM 1100 CA GLY A 70 -12.905 -15.093 -0.366 1.00 0.00 C ATOM 1101 C GLY A 70 -12.163 -13.948 -1.060 1.00 0.00 C ATOM 1102 O GLY A 70 -12.315 -13.772 -2.269 1.00 0.00 O ATOM 0 H GLY A 70 -12.562 -15.720 1.588 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.174 -15.852 -1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -13.836 -14.719 0.061 1.00 0.00 H new ATOM 1106 N ALA A 71 -11.356 -13.173 -0.327 1.00 0.00 N ATOM 1107 CA ALA A 71 -10.509 -12.152 -0.917 1.00 0.00 C ATOM 1108 C ALA A 71 -9.288 -12.826 -1.543 1.00 0.00 C ATOM 1109 O ALA A 71 -8.993 -12.547 -2.701 1.00 0.00 O ATOM 1110 CB ALA A 71 -10.094 -11.099 0.119 1.00 0.00 C ATOM 0 H ALA A 71 -11.278 -13.242 0.688 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.068 -11.625 -1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.461 -10.350 -0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.984 -10.617 0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.542 -11.581 0.926 1.00 0.00 H new ATOM 1116 N GLN A 72 -8.602 -13.720 -0.816 1.00 0.00 N ATOM 1117 CA GLN A 72 -7.351 -14.354 -1.235 1.00 0.00 C ATOM 1118 C GLN A 72 -7.510 -15.021 -2.597 1.00 0.00 C ATOM 1119 O GLN A 72 -6.653 -14.837 -3.451 1.00 0.00 O ATOM 1120 CB GLN A 72 -6.875 -15.359 -0.163 1.00 0.00 C ATOM 1121 CG GLN A 72 -5.500 -16.010 -0.435 1.00 0.00 C ATOM 1122 CD GLN A 72 -5.087 -16.962 0.697 1.00 0.00 C ATOM 1123 OE1 GLN A 72 -4.176 -16.714 1.476 1.00 0.00 O ATOM 1124 NE2 GLN A 72 -5.764 -18.080 0.845 1.00 0.00 N ATOM 0 H GLN A 72 -8.914 -14.028 0.105 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.586 -13.584 -1.337 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.833 -14.847 0.798 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.621 -16.148 -0.071 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.537 -16.559 -1.376 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -4.745 -15.232 -0.549 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.526 -18.303 0.205 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.527 -18.724 1.600 1.00 0.00 H new ATOM 1133 N GLN A 73 -8.595 -15.757 -2.832 1.00 0.00 N ATOM 1134 CA GLN A 73 -8.829 -16.478 -4.075 1.00 0.00 C ATOM 1135 C GLN A 73 -8.998 -15.532 -5.269 1.00 0.00 C ATOM 1136 O GLN A 73 -8.487 -15.777 -6.366 1.00 0.00 O ATOM 1137 CB GLN A 73 -10.047 -17.387 -3.868 1.00 0.00 C ATOM 1138 CG GLN A 73 -11.407 -16.680 -3.796 1.00 0.00 C ATOM 1139 CD GLN A 73 -12.549 -17.595 -3.376 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -12.384 -18.789 -3.135 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -13.750 -17.062 -3.298 1.00 0.00 N ATOM 0 H GLN A 73 -9.346 -15.869 -2.151 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.959 -17.086 -4.320 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.078 -18.111 -4.682 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.903 -17.950 -2.946 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.339 -15.851 -3.092 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.636 -16.251 -4.772 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.882 -16.071 -3.499 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.549 -17.640 -3.037 1.00 0.00 H new ATOM 1150 N LYS A 74 -9.720 -14.428 -5.066 1.00 0.00 N ATOM 1151 CA LYS A 74 -9.919 -13.412 -6.095 1.00 0.00 C ATOM 1152 C LYS A 74 -8.598 -12.695 -6.350 1.00 0.00 C ATOM 1153 O LYS A 74 -8.251 -12.465 -7.508 1.00 0.00 O ATOM 1154 CB LYS A 74 -11.040 -12.448 -5.664 1.00 0.00 C ATOM 1155 CG LYS A 74 -11.478 -11.447 -6.746 1.00 0.00 C ATOM 1156 CD LYS A 74 -12.077 -12.098 -8.008 1.00 0.00 C ATOM 1157 CE LYS A 74 -11.059 -12.177 -9.155 1.00 0.00 C ATOM 1158 NZ LYS A 74 -11.605 -12.875 -10.337 1.00 0.00 N ATOM 0 H LYS A 74 -10.182 -14.215 -4.182 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.234 -13.871 -7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.907 -13.034 -5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.706 -11.892 -4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.214 -10.767 -6.318 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.618 -10.844 -7.036 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.429 -13.101 -7.766 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.946 -11.526 -8.333 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.754 -11.170 -9.438 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.164 -12.695 -8.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.366 -12.341 -11.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.195 -13.829 -10.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.639 -12.948 -10.250 1.00 0.00 H new ATOM 1172 N LEU A 75 -7.856 -12.385 -5.285 1.00 0.00 N ATOM 1173 CA LEU A 75 -6.524 -11.810 -5.361 1.00 0.00 C ATOM 1174 C LEU A 75 -5.608 -12.765 -6.136 1.00 0.00 C ATOM 1175 O LEU A 75 -4.819 -12.304 -6.948 1.00 0.00 O ATOM 1176 CB LEU A 75 -5.986 -11.534 -3.935 1.00 0.00 C ATOM 1177 CG LEU A 75 -5.276 -10.187 -3.718 1.00 0.00 C ATOM 1178 CD1 LEU A 75 -4.836 -10.082 -2.251 1.00 0.00 C ATOM 1179 CD2 LEU A 75 -4.098 -9.899 -4.650 1.00 0.00 C ATOM 0 H LEU A 75 -8.177 -12.532 -4.328 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.556 -10.858 -5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.821 -11.596 -3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.292 -12.332 -3.672 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.011 -9.423 -3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.332 -9.129 -2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.711 -10.144 -1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.153 -10.898 -2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.673 -8.925 -4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.337 -10.669 -4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.444 -9.898 -5.684 1.00 0.00 H new ATOM 1191 N ALA A 76 -5.726 -14.082 -5.923 1.00 0.00 N ATOM 1192 CA ALA A 76 -4.852 -15.110 -6.481 1.00 0.00 C ATOM 1193 C ALA A 76 -5.047 -15.215 -7.976 1.00 0.00 C ATOM 1194 O ALA A 76 -4.071 -15.236 -8.717 1.00 0.00 O ATOM 1195 CB ALA A 76 -5.101 -16.468 -5.811 1.00 0.00 C ATOM 0 H ALA A 76 -6.463 -14.471 -5.334 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.820 -14.820 -6.283 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.437 -17.215 -6.245 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.906 -16.387 -4.742 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.137 -16.767 -5.969 1.00 0.00 H new ATOM 1201 N GLU A 77 -6.301 -15.264 -8.413 1.00 0.00 N ATOM 1202 CA GLU A 77 -6.655 -15.286 -9.820 1.00 0.00 C ATOM 1203 C GLU A 77 -6.116 -14.031 -10.514 1.00 0.00 C ATOM 1204 O GLU A 77 -5.560 -14.137 -11.606 1.00 0.00 O ATOM 1205 CB GLU A 77 -8.183 -15.380 -9.907 1.00 0.00 C ATOM 1206 CG GLU A 77 -8.672 -15.605 -11.342 1.00 0.00 C ATOM 1207 CD GLU A 77 -10.173 -15.882 -11.421 1.00 0.00 C ATOM 1208 OE1 GLU A 77 -10.924 -15.526 -10.480 1.00 0.00 O ATOM 1209 OE2 GLU A 77 -10.619 -16.438 -12.452 1.00 0.00 O ATOM 0 H GLU A 77 -7.107 -15.290 -7.789 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.211 -16.142 -10.329 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.531 -16.197 -9.275 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.624 -14.464 -9.515 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.438 -14.726 -11.943 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.129 -16.443 -11.778 1.00 0.00 H new ATOM 1216 N ALA A 78 -6.237 -12.864 -9.870 1.00 0.00 N ATOM 1217 CA ALA A 78 -5.745 -11.601 -10.398 1.00 0.00 C ATOM 1218 C ALA A 78 -4.215 -11.614 -10.480 1.00 0.00 C ATOM 1219 O ALA A 78 -3.656 -11.344 -11.537 1.00 0.00 O ATOM 1220 CB ALA A 78 -6.276 -10.444 -9.542 1.00 0.00 C ATOM 0 H ALA A 78 -6.685 -12.777 -8.958 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.113 -11.458 -11.414 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.907 -9.498 -9.939 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.366 -10.446 -9.564 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.934 -10.565 -8.514 1.00 0.00 H new ATOM 1226 N LEU A 79 -3.516 -11.978 -9.400 1.00 0.00 N ATOM 1227 CA LEU A 79 -2.059 -12.087 -9.394 1.00 0.00 C ATOM 1228 C LEU A 79 -1.577 -13.081 -10.443 1.00 0.00 C ATOM 1229 O LEU A 79 -0.559 -12.846 -11.085 1.00 0.00 O ATOM 1230 CB LEU A 79 -1.536 -12.487 -7.999 1.00 0.00 C ATOM 1231 CG LEU A 79 -0.656 -11.377 -7.410 1.00 0.00 C ATOM 1232 CD1 LEU A 79 -0.463 -11.589 -5.910 1.00 0.00 C ATOM 1233 CD2 LEU A 79 0.722 -11.310 -8.082 1.00 0.00 C ATOM 0 H LEU A 79 -3.949 -12.205 -8.505 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.658 -11.104 -9.642 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.376 -12.684 -7.333 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.963 -13.412 -8.071 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.174 -10.436 -7.594 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.164 -10.793 -5.508 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.433 -11.574 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.018 -12.552 -5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.308 -10.509 -7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.240 -12.260 -7.946 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.598 -11.114 -9.147 1.00 0.00 H new ATOM 1245 N SER A 80 -2.313 -14.170 -10.636 1.00 0.00 N ATOM 1246 CA SER A 80 -2.012 -15.175 -11.639 1.00 0.00 C ATOM 1247 C SER A 80 -2.210 -14.623 -13.055 1.00 0.00 C ATOM 1248 O SER A 80 -1.435 -14.948 -13.954 1.00 0.00 O ATOM 1249 CB SER A 80 -2.893 -16.396 -11.377 1.00 0.00 C ATOM 1250 OG SER A 80 -2.590 -16.971 -10.113 1.00 0.00 O ATOM 0 H SER A 80 -3.148 -14.379 -10.089 1.00 0.00 H new ATOM 0 HA SER A 80 -0.964 -15.466 -11.568 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.943 -16.106 -11.408 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.743 -17.135 -12.164 1.00 0.00 H new ATOM 0 HG SER A 80 -3.210 -16.623 -9.438 1.00 0.00 H new ATOM 1256 N MET A 81 -3.216 -13.771 -13.267 1.00 0.00 N ATOM 1257 CA MET A 81 -3.461 -13.100 -14.538 1.00 0.00 C ATOM 1258 C MET A 81 -2.319 -12.122 -14.837 1.00 0.00 C ATOM 1259 O MET A 81 -1.887 -12.006 -15.983 1.00 0.00 O ATOM 1260 CB MET A 81 -4.822 -12.389 -14.464 1.00 0.00 C ATOM 1261 CG MET A 81 -5.280 -11.794 -15.793 1.00 0.00 C ATOM 1262 SD MET A 81 -5.748 -12.994 -17.065 1.00 0.00 S ATOM 1263 CE MET A 81 -4.394 -12.748 -18.238 1.00 0.00 C ATOM 0 H MET A 81 -3.893 -13.526 -12.545 1.00 0.00 H new ATOM 0 HA MET A 81 -3.492 -13.821 -15.355 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.573 -13.098 -14.116 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.766 -11.594 -13.721 1.00 0.00 H new ATOM 0 HG2 MET A 81 -6.132 -11.140 -15.604 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.479 -11.168 -16.186 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.545 -13.389 -19.107 1.00 0.00 H new ATOM 0 HE2 MET A 81 -4.372 -11.705 -18.555 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.448 -13.002 -17.760 1.00 0.00 H new ATOM 1273 N LEU A 82 -1.805 -11.445 -13.808 1.00 0.00 N ATOM 1274 CA LEU A 82 -0.666 -10.537 -13.866 1.00 0.00 C ATOM 1275 C LEU A 82 0.596 -11.313 -14.234 1.00 0.00 C ATOM 1276 O LEU A 82 1.175 -11.082 -15.296 1.00 0.00 O ATOM 1277 CB LEU A 82 -0.623 -9.781 -12.525 1.00 0.00 C ATOM 1278 CG LEU A 82 0.720 -9.315 -11.945 1.00 0.00 C ATOM 1279 CD1 LEU A 82 1.426 -8.334 -12.869 1.00 0.00 C ATOM 1280 CD2 LEU A 82 0.441 -8.610 -10.609 1.00 0.00 C ATOM 0 H LEU A 82 -2.193 -11.521 -12.868 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.752 -9.786 -14.651 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.253 -8.898 -12.631 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.093 -10.420 -11.778 1.00 0.00 H new ATOM 0 HG LEU A 82 1.364 -10.185 -11.819 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.372 -8.029 -12.422 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.616 -8.812 -13.830 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.796 -7.457 -13.018 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.381 -8.268 -10.175 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.213 -7.754 -10.779 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.043 -9.306 -9.924 1.00 0.00 H new ATOM 1292 N LYS A 83 0.980 -12.282 -13.402 1.00 0.00 N ATOM 1293 CA LYS A 83 2.158 -13.132 -13.583 1.00 0.00 C ATOM 1294 C LYS A 83 2.084 -13.924 -14.892 1.00 0.00 C ATOM 1295 O LYS A 83 3.109 -14.370 -15.413 1.00 0.00 O ATOM 1296 CB LYS A 83 2.212 -14.082 -12.378 1.00 0.00 C ATOM 1297 CG LYS A 83 3.511 -14.875 -12.181 1.00 0.00 C ATOM 1298 CD LYS A 83 4.665 -14.023 -11.626 1.00 0.00 C ATOM 1299 CE LYS A 83 5.699 -14.845 -10.837 1.00 0.00 C ATOM 1300 NZ LYS A 83 6.055 -16.121 -11.491 1.00 0.00 N ATOM 0 H LYS A 83 0.461 -12.505 -12.553 1.00 0.00 H new ATOM 0 HA LYS A 83 3.059 -12.521 -13.642 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.030 -13.498 -11.476 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.390 -14.793 -12.468 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.322 -15.706 -11.501 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.813 -15.307 -13.135 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.166 -13.518 -12.452 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.257 -13.247 -10.979 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.602 -14.249 -10.704 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.305 -15.052 -9.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.838 -16.569 -10.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.230 -16.755 -11.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.348 -15.938 -12.472 1.00 0.00 H new ATOM 1314 N GLY A 84 0.878 -14.146 -15.411 1.00 0.00 N ATOM 1315 CA GLY A 84 0.619 -14.959 -16.580 1.00 0.00 C ATOM 1316 C GLY A 84 0.775 -16.453 -16.302 1.00 0.00 C ATOM 1317 O GLY A 84 0.612 -17.244 -17.230 1.00 0.00 O ATOM 0 H GLY A 84 0.030 -13.747 -15.009 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.392 -14.763 -16.938 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.301 -14.668 -17.379 1.00 0.00 H new ATOM 1321 N SER A 85 1.082 -16.853 -15.069 1.00 0.00 N ATOM 1322 CA SER A 85 1.163 -18.229 -14.609 1.00 0.00 C ATOM 1323 C SER A 85 0.586 -18.306 -13.191 1.00 0.00 C ATOM 1324 O SER A 85 0.277 -17.276 -12.584 1.00 0.00 O ATOM 1325 CB SER A 85 2.618 -18.705 -14.706 1.00 0.00 C ATOM 1326 OG SER A 85 3.520 -17.794 -14.101 1.00 0.00 O ATOM 0 H SER A 85 1.292 -16.185 -14.327 1.00 0.00 H new ATOM 0 HA SER A 85 0.572 -18.900 -15.233 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.713 -19.680 -14.227 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.886 -18.838 -15.754 1.00 0.00 H new ATOM 0 HG SER A 85 4.435 -18.136 -14.183 1.00 0.00 H new ATOM 1332 N THR A 86 0.426 -19.513 -12.656 1.00 0.00 N ATOM 1333 CA THR A 86 -0.123 -19.741 -11.328 1.00 0.00 C ATOM 1334 C THR A 86 0.823 -19.147 -10.280 1.00 0.00 C ATOM 1335 O THR A 86 1.994 -19.539 -10.194 1.00 0.00 O ATOM 1336 CB THR A 86 -0.350 -21.249 -11.092 1.00 0.00 C ATOM 1337 OG1 THR A 86 -0.981 -21.857 -12.204 1.00 0.00 O ATOM 1338 CG2 THR A 86 -1.206 -21.527 -9.854 1.00 0.00 C ATOM 0 H THR A 86 0.679 -20.373 -13.143 1.00 0.00 H new ATOM 0 HA THR A 86 -1.091 -19.247 -11.242 1.00 0.00 H new ATOM 0 HB THR A 86 0.643 -21.673 -10.942 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.110 -22.812 -12.025 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.335 -22.603 -9.735 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.712 -21.120 -8.971 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.182 -21.056 -9.973 1.00 0.00 H new ATOM 1346 N VAL A 87 0.337 -18.179 -9.509 1.00 0.00 N ATOM 1347 CA VAL A 87 1.048 -17.601 -8.380 1.00 0.00 C ATOM 1348 C VAL A 87 0.550 -18.357 -7.161 1.00 0.00 C ATOM 1349 O VAL A 87 -0.660 -18.538 -6.998 1.00 0.00 O ATOM 1350 CB VAL A 87 0.714 -16.102 -8.264 1.00 0.00 C ATOM 1351 CG1 VAL A 87 1.273 -15.487 -6.976 1.00 0.00 C ATOM 1352 CG2 VAL A 87 1.312 -15.330 -9.439 1.00 0.00 C ATOM 0 H VAL A 87 -0.584 -17.767 -9.658 1.00 0.00 H new ATOM 0 HA VAL A 87 2.130 -17.682 -8.486 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.373 -16.027 -8.259 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.014 -14.429 -6.936 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.846 -15.998 -6.113 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.357 -15.596 -6.962 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.067 -14.272 -9.342 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.395 -15.453 -9.442 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.901 -15.713 -10.373 1.00 0.00 H new ATOM 1362 N GLU A 88 1.465 -18.792 -6.298 1.00 0.00 N ATOM 1363 CA GLU A 88 1.070 -19.393 -5.044 1.00 0.00 C ATOM 1364 C GLU A 88 0.865 -18.189 -4.139 1.00 0.00 C ATOM 1365 O GLU A 88 1.810 -17.702 -3.517 1.00 0.00 O ATOM 1366 CB GLU A 88 2.141 -20.382 -4.557 1.00 0.00 C ATOM 1367 CG GLU A 88 2.087 -21.705 -5.334 1.00 0.00 C ATOM 1368 CD GLU A 88 0.739 -22.411 -5.176 1.00 0.00 C ATOM 1369 OE1 GLU A 88 0.248 -22.529 -4.027 1.00 0.00 O ATOM 1370 OE2 GLU A 88 0.140 -22.854 -6.183 1.00 0.00 O ATOM 0 H GLU A 88 2.472 -18.737 -6.449 1.00 0.00 H new ATOM 0 HA GLU A 88 0.168 -20.003 -5.092 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.128 -19.934 -4.669 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.999 -20.578 -3.494 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.273 -21.512 -6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.883 -22.363 -4.985 1.00 0.00 H new ATOM 1377 N LEU A 89 -0.340 -17.618 -4.195 1.00 0.00 N ATOM 1378 CA LEU A 89 -0.683 -16.437 -3.428 1.00 0.00 C ATOM 1379 C LEU A 89 -1.205 -16.881 -2.077 1.00 0.00 C ATOM 1380 O LEU A 89 -2.210 -17.594 -1.995 1.00 0.00 O ATOM 1381 CB LEU A 89 -1.688 -15.538 -4.146 1.00 0.00 C ATOM 1382 CG LEU A 89 -2.216 -14.405 -3.237 1.00 0.00 C ATOM 1383 CD1 LEU A 89 -1.222 -13.411 -2.645 1.00 0.00 C ATOM 1384 CD2 LEU A 89 -3.151 -13.545 -4.052 1.00 0.00 C ATOM 0 H LEU A 89 -1.101 -17.968 -4.777 1.00 0.00 H new ATOM 0 HA LEU A 89 0.213 -15.829 -3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.218 -15.104 -5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.526 -16.141 -4.496 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.639 -14.958 -2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.756 -12.683 -2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.499 -13.944 -2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.700 -12.895 -3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.537 -12.737 -3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.612 -13.124 -4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.981 -14.152 -4.414 1.00 0.00 H new ATOM 1396 N THR A 90 -0.569 -16.388 -1.028 1.00 0.00 N ATOM 1397 CA THR A 90 -0.986 -16.598 0.339 1.00 0.00 C ATOM 1398 C THR A 90 -1.020 -15.234 1.023 1.00 0.00 C ATOM 1399 O THR A 90 -0.345 -14.294 0.602 1.00 0.00 O ATOM 1400 CB THR A 90 0.038 -17.533 1.000 1.00 0.00 C ATOM 1401 OG1 THR A 90 0.299 -18.684 0.204 1.00 0.00 O ATOM 1402 CG2 THR A 90 -0.335 -17.982 2.408 1.00 0.00 C ATOM 0 H THR A 90 0.272 -15.817 -1.110 1.00 0.00 H new ATOM 0 HA THR A 90 -1.974 -17.054 0.411 1.00 0.00 H new ATOM 0 HB THR A 90 0.937 -16.922 1.081 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.956 -19.253 0.657 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.443 -18.639 2.798 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.432 -17.110 3.054 1.00 0.00 H new ATOM 0 HG23 THR A 90 -1.283 -18.519 2.379 1.00 0.00 H new ATOM 1410 N ILE A 91 -1.803 -15.128 2.086 1.00 0.00 N ATOM 1411 CA ILE A 91 -1.870 -13.970 2.955 1.00 0.00 C ATOM 1412 C ILE A 91 -1.323 -14.529 4.269 1.00 0.00 C ATOM 1413 O ILE A 91 -1.784 -15.572 4.746 1.00 0.00 O ATOM 1414 CB ILE A 91 -3.286 -13.354 3.113 1.00 0.00 C ATOM 1415 CG1 ILE A 91 -4.239 -13.349 1.896 1.00 0.00 C ATOM 1416 CG2 ILE A 91 -3.140 -11.909 3.619 1.00 0.00 C ATOM 1417 CD1 ILE A 91 -3.739 -12.757 0.581 1.00 0.00 C ATOM 0 H ILE A 91 -2.432 -15.877 2.375 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.310 -13.124 2.557 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.773 -14.035 3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.536 -14.380 1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.140 -12.806 2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.128 -11.463 3.735 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.627 -11.910 4.581 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.562 -11.329 2.900 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.524 -12.829 -0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.474 -11.710 0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.861 -13.309 0.244 1.00 0.00 H new ATOM 1429 N VAL A 92 -0.288 -13.901 4.806 1.00 0.00 N ATOM 1430 CA VAL A 92 0.276 -14.229 6.108 1.00 0.00 C ATOM 1431 C VAL A 92 0.007 -13.013 6.990 1.00 0.00 C ATOM 1432 O VAL A 92 -0.102 -11.904 6.471 1.00 0.00 O ATOM 1433 CB VAL A 92 1.759 -14.655 5.983 1.00 0.00 C ATOM 1434 CG1 VAL A 92 1.951 -15.729 4.894 1.00 0.00 C ATOM 1435 CG2 VAL A 92 2.732 -13.515 5.656 1.00 0.00 C ATOM 0 H VAL A 92 0.194 -13.133 4.339 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.185 -15.101 6.572 1.00 0.00 H new ATOM 0 HB VAL A 92 1.995 -15.036 6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.004 -16.003 4.835 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.360 -16.610 5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.625 -15.334 3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.746 -13.910 5.588 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.455 -13.062 4.704 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.688 -12.762 6.443 1.00 0.00 H new ATOM 1445 N GLU A 93 -0.101 -13.173 8.305 1.00 0.00 N ATOM 1446 CA GLU A 93 -0.486 -12.087 9.196 1.00 0.00 C ATOM 1447 C GLU A 93 0.698 -11.819 10.105 1.00 0.00 C ATOM 1448 O GLU A 93 0.961 -12.543 11.069 1.00 0.00 O ATOM 1449 CB GLU A 93 -1.827 -12.384 9.876 1.00 0.00 C ATOM 1450 CG GLU A 93 -2.959 -12.371 8.825 1.00 0.00 C ATOM 1451 CD GLU A 93 -3.509 -13.762 8.505 1.00 0.00 C ATOM 1452 OE1 GLU A 93 -2.728 -14.665 8.127 1.00 0.00 O ATOM 1453 OE2 GLU A 93 -4.746 -13.945 8.568 1.00 0.00 O ATOM 0 H GLU A 93 0.076 -14.058 8.781 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.694 -11.156 8.669 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.788 -13.355 10.370 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.026 -11.641 10.648 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.772 -11.741 9.186 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.587 -11.916 7.907 1.00 0.00 H new ATOM 1460 N ASP A 94 1.435 -10.776 9.743 1.00 0.00 N ATOM 1461 CA ASP A 94 2.696 -10.333 10.305 1.00 0.00 C ATOM 1462 C ASP A 94 2.613 -8.825 10.505 1.00 0.00 C ATOM 1463 O ASP A 94 2.611 -8.065 9.541 1.00 0.00 O ATOM 1464 CB ASP A 94 3.783 -10.719 9.293 1.00 0.00 C ATOM 1465 CG ASP A 94 5.164 -10.166 9.619 1.00 0.00 C ATOM 1466 OD1 ASP A 94 5.463 -9.961 10.815 1.00 0.00 O ATOM 1467 OD2 ASP A 94 5.988 -10.055 8.682 1.00 0.00 O ATOM 0 H ASP A 94 1.135 -10.168 8.981 1.00 0.00 H new ATOM 0 HA ASP A 94 2.923 -10.788 11.269 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.843 -11.806 9.238 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.486 -10.366 8.305 1.00 0.00 H new ATOM 1472 N ASP A 95 2.445 -8.380 11.747 1.00 0.00 N ATOM 1473 CA ASP A 95 2.285 -6.962 12.098 1.00 0.00 C ATOM 1474 C ASP A 95 3.606 -6.200 12.239 1.00 0.00 C ATOM 1475 O ASP A 95 3.573 -4.977 12.377 1.00 0.00 O ATOM 1476 CB ASP A 95 1.431 -6.786 13.363 1.00 0.00 C ATOM 1477 CG ASP A 95 2.006 -7.485 14.593 1.00 0.00 C ATOM 1478 OD1 ASP A 95 2.798 -6.863 15.337 1.00 0.00 O ATOM 1479 OD2 ASP A 95 1.634 -8.656 14.843 1.00 0.00 O ATOM 0 H ASP A 95 2.415 -9.001 12.556 1.00 0.00 H new ATOM 0 HA ASP A 95 1.764 -6.519 11.249 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.327 -5.722 13.576 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.430 -7.172 13.171 1.00 0.00 H new ATOM 1522 N VAL A 99 8.798 -3.692 6.876 1.00 0.00 N ATOM 1523 CA VAL A 99 8.439 -3.368 5.500 1.00 0.00 C ATOM 1524 C VAL A 99 7.140 -2.559 5.530 1.00 0.00 C ATOM 1525 O VAL A 99 6.338 -2.673 6.465 1.00 0.00 O ATOM 1526 CB VAL A 99 8.358 -4.651 4.648 1.00 0.00 C ATOM 1527 CG1 VAL A 99 8.018 -4.355 3.179 1.00 0.00 C ATOM 1528 CG2 VAL A 99 9.662 -5.464 4.666 1.00 0.00 C ATOM 0 HA VAL A 99 9.203 -2.755 5.021 1.00 0.00 H new ATOM 0 HB VAL A 99 7.560 -5.233 5.108 1.00 0.00 H new ATOM 0 HG11 VAL A 99 7.972 -5.290 2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.053 -3.852 3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.787 -3.713 2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.544 -6.355 4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 99 10.476 -4.855 4.272 1.00 0.00 H new ATOM 0 HG23 VAL A 99 9.892 -5.760 5.690 1.00 0.00 H new ATOM 1538 N ARG A 100 6.941 -1.718 4.514 1.00 0.00 N ATOM 1539 CA ARG A 100 5.813 -0.811 4.376 1.00 0.00 C ATOM 1540 C ARG A 100 4.816 -1.444 3.409 1.00 0.00 C ATOM 1541 O ARG A 100 5.238 -1.974 2.385 1.00 0.00 O ATOM 1542 CB ARG A 100 6.295 0.540 3.809 1.00 0.00 C ATOM 1543 CG ARG A 100 7.478 1.187 4.551 1.00 0.00 C ATOM 1544 CD ARG A 100 8.857 0.841 3.960 1.00 0.00 C ATOM 1545 NE ARG A 100 9.922 1.388 4.814 1.00 0.00 N ATOM 1546 CZ ARG A 100 10.722 0.729 5.658 1.00 0.00 C ATOM 1547 NH1 ARG A 100 10.872 -0.589 5.597 1.00 0.00 N ATOM 1548 NH2 ARG A 100 11.377 1.410 6.586 1.00 0.00 N ATOM 0 H ARG A 100 7.594 -1.652 3.733 1.00 0.00 H new ATOM 0 HA ARG A 100 5.347 -0.637 5.346 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.578 0.396 2.766 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.458 1.238 3.819 1.00 0.00 H new ATOM 0 HG2 ARG A 100 7.351 2.270 4.540 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.453 0.874 5.595 1.00 0.00 H new ATOM 0 HD2 ARG A 100 8.965 -0.240 3.877 1.00 0.00 H new ATOM 0 HD3 ARG A 100 8.942 1.248 2.952 1.00 0.00 H new ATOM 0 HE ARG A 100 10.068 2.396 4.755 1.00 0.00 H new ATOM 0 HH11 ARG A 100 10.369 -1.127 4.892 1.00 0.00 H new ATOM 0 HH12 ARG A 100 11.490 -1.063 6.256 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.267 2.422 6.649 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.991 0.922 7.238 1.00 0.00 H new ATOM 1562 N THR A 101 3.526 -1.432 3.737 1.00 0.00 N ATOM 1563 CA THR A 101 2.470 -1.887 2.829 1.00 0.00 C ATOM 1564 C THR A 101 2.270 -0.784 1.766 1.00 0.00 C ATOM 1565 O THR A 101 2.784 0.313 1.976 1.00 0.00 O ATOM 1566 CB THR A 101 1.197 -2.179 3.651 1.00 0.00 C ATOM 1567 OG1 THR A 101 0.497 -0.998 3.981 1.00 0.00 O ATOM 1568 CG2 THR A 101 1.451 -2.935 4.966 1.00 0.00 C ATOM 0 H THR A 101 3.181 -1.107 4.640 1.00 0.00 H new ATOM 0 HA THR A 101 2.729 -2.812 2.315 1.00 0.00 H new ATOM 0 HB THR A 101 0.609 -2.815 2.989 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.448 -1.101 3.743 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.504 -3.099 5.480 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.917 -3.896 4.749 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.112 -2.347 5.602 1.00 0.00 H new ATOM 1576 N PRO A 102 1.485 -0.944 0.682 1.00 0.00 N ATOM 1577 CA PRO A 102 1.274 0.139 -0.277 1.00 0.00 C ATOM 1578 C PRO A 102 0.403 1.255 0.334 1.00 0.00 C ATOM 1579 O PRO A 102 0.480 2.414 -0.084 1.00 0.00 O ATOM 1580 CB PRO A 102 0.666 -0.518 -1.515 1.00 0.00 C ATOM 1581 CG PRO A 102 -0.058 -1.728 -0.956 1.00 0.00 C ATOM 1582 CD PRO A 102 0.749 -2.124 0.280 1.00 0.00 C ATOM 0 HA PRO A 102 2.200 0.645 -0.551 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.018 0.155 -2.031 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.433 -0.806 -2.234 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -1.089 -1.488 -0.696 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.093 -2.539 -1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 102 0.092 -2.463 1.081 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.427 -2.947 0.054 1.00 0.00 H new ATOM 1590 N LEU A 103 -0.426 0.930 1.336 1.00 0.00 N ATOM 1591 CA LEU A 103 -1.209 1.900 2.097 1.00 0.00 C ATOM 1592 C LEU A 103 -0.249 2.740 2.926 1.00 0.00 C ATOM 1593 O LEU A 103 -0.256 3.967 2.835 1.00 0.00 O ATOM 1594 CB LEU A 103 -2.224 1.164 2.986 1.00 0.00 C ATOM 1595 CG LEU A 103 -3.168 2.068 3.808 1.00 0.00 C ATOM 1596 CD1 LEU A 103 -4.504 1.340 4.010 1.00 0.00 C ATOM 1597 CD2 LEU A 103 -2.601 2.408 5.192 1.00 0.00 C ATOM 0 H LEU A 103 -0.570 -0.032 1.642 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.770 2.554 1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.830 0.515 2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.677 0.519 3.674 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.291 2.997 3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.178 1.971 4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.952 1.126 3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.332 0.406 4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.305 3.045 5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.443 1.489 5.756 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.652 2.932 5.078 1.00 0.00 H new ATOM 1609 N GLU A 104 0.583 2.070 3.722 1.00 0.00 N ATOM 1610 CA GLU A 104 1.543 2.725 4.590 1.00 0.00 C ATOM 1611 C GLU A 104 2.592 3.462 3.757 1.00 0.00 C ATOM 1612 O GLU A 104 3.047 4.512 4.192 1.00 0.00 O ATOM 1613 CB GLU A 104 2.171 1.691 5.534 1.00 0.00 C ATOM 1614 CG GLU A 104 1.172 1.162 6.575 1.00 0.00 C ATOM 1615 CD GLU A 104 0.824 2.207 7.639 1.00 0.00 C ATOM 1616 OE1 GLU A 104 1.547 2.282 8.662 1.00 0.00 O ATOM 1617 OE2 GLU A 104 -0.187 2.933 7.506 1.00 0.00 O ATOM 0 H GLU A 104 0.605 1.052 3.778 1.00 0.00 H new ATOM 0 HA GLU A 104 1.039 3.472 5.203 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.557 0.856 4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.021 2.141 6.047 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.260 0.845 6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.591 0.280 7.060 1.00 0.00 H new ATOM 1624 N TRP A 105 2.926 2.983 2.551 1.00 0.00 N ATOM 1625 CA TRP A 105 3.812 3.651 1.609 1.00 0.00 C ATOM 1626 C TRP A 105 3.198 4.966 1.168 1.00 0.00 C ATOM 1627 O TRP A 105 3.876 5.979 1.255 1.00 0.00 O ATOM 1628 CB TRP A 105 4.135 2.793 0.374 1.00 0.00 C ATOM 1629 CG TRP A 105 5.520 2.238 0.343 1.00 0.00 C ATOM 1630 CD1 TRP A 105 5.867 0.936 0.229 1.00 0.00 C ATOM 1631 CD2 TRP A 105 6.768 2.987 0.392 1.00 0.00 C ATOM 1632 NE1 TRP A 105 7.245 0.834 0.234 1.00 0.00 N ATOM 1633 CE2 TRP A 105 7.850 2.067 0.348 1.00 0.00 C ATOM 1634 CE3 TRP A 105 7.091 4.358 0.459 1.00 0.00 C ATOM 1635 CZ2 TRP A 105 9.187 2.490 0.401 1.00 0.00 C ATOM 1636 CZ3 TRP A 105 8.427 4.796 0.480 1.00 0.00 C ATOM 1637 CH2 TRP A 105 9.476 3.861 0.478 1.00 0.00 C ATOM 0 H TRP A 105 2.572 2.093 2.201 1.00 0.00 H new ATOM 0 HA TRP A 105 4.752 3.826 2.132 1.00 0.00 H new ATOM 0 HB2 TRP A 105 3.426 1.966 0.328 1.00 0.00 H new ATOM 0 HB3 TRP A 105 3.980 3.396 -0.521 1.00 0.00 H new ATOM 0 HD1 TRP A 105 5.178 0.109 0.147 1.00 0.00 H new ATOM 0 HE1 TRP A 105 7.753 -0.047 0.162 1.00 0.00 H new ATOM 0 HE3 TRP A 105 6.295 5.087 0.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 9.988 1.766 0.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 8.647 5.853 0.498 1.00 0.00 H new ATOM 0 HH2 TRP A 105 10.501 4.196 0.536 1.00 0.00 H new ATOM 1648 N ARG A 106 1.935 4.990 0.721 1.00 0.00 N ATOM 1649 CA ARG A 106 1.253 6.243 0.377 1.00 0.00 C ATOM 1650 C ARG A 106 1.421 7.237 1.521 1.00 0.00 C ATOM 1651 O ARG A 106 1.804 8.380 1.292 1.00 0.00 O ATOM 1652 CB ARG A 106 -0.222 5.947 0.053 1.00 0.00 C ATOM 1653 CG ARG A 106 -1.048 7.184 -0.337 1.00 0.00 C ATOM 1654 CD ARG A 106 -2.566 6.937 -0.305 1.00 0.00 C ATOM 1655 NE ARG A 106 -3.105 6.300 -1.519 1.00 0.00 N ATOM 1656 CZ ARG A 106 -3.185 4.990 -1.799 1.00 0.00 C ATOM 1657 NH1 ARG A 106 -2.627 4.061 -1.028 1.00 0.00 N ATOM 1658 NH2 ARG A 106 -3.834 4.620 -2.890 1.00 0.00 N ATOM 0 H ARG A 106 1.365 4.154 0.589 1.00 0.00 H new ATOM 0 HA ARG A 106 1.693 6.696 -0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.264 5.225 -0.763 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.684 5.475 0.920 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.806 8.002 0.341 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.760 7.504 -1.338 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.802 6.310 0.555 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.074 7.890 -0.153 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.461 6.933 -2.235 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.115 4.334 -0.189 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.711 3.075 -1.276 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.258 5.324 -3.494 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.910 3.631 -3.127 1.00 0.00 H new ATOM 1672 N GLN A 107 1.168 6.793 2.747 1.00 0.00 N ATOM 1673 CA GLN A 107 1.287 7.648 3.916 1.00 0.00 C ATOM 1674 C GLN A 107 2.754 8.084 4.122 1.00 0.00 C ATOM 1675 O GLN A 107 3.022 9.257 4.383 1.00 0.00 O ATOM 1676 CB GLN A 107 0.703 6.890 5.123 1.00 0.00 C ATOM 1677 CG GLN A 107 0.071 7.838 6.149 1.00 0.00 C ATOM 1678 CD GLN A 107 -1.193 8.522 5.609 1.00 0.00 C ATOM 1679 OE1 GLN A 107 -1.843 8.055 4.674 1.00 0.00 O ATOM 1680 NE2 GLN A 107 -1.586 9.646 6.172 1.00 0.00 N ATOM 0 H GLN A 107 0.877 5.838 2.955 1.00 0.00 H new ATOM 0 HA GLN A 107 0.722 8.571 3.786 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.048 6.180 4.776 1.00 0.00 H new ATOM 0 HB3 GLN A 107 1.492 6.311 5.603 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -0.178 7.279 7.051 1.00 0.00 H new ATOM 0 HG3 GLN A 107 0.799 8.598 6.435 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -1.054 10.041 6.948 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.422 10.121 5.833 1.00 0.00 H new ATOM 1689 N ALA A 108 3.706 7.159 3.963 1.00 0.00 N ATOM 1690 CA ALA A 108 5.130 7.354 4.195 1.00 0.00 C ATOM 1691 C ALA A 108 5.737 8.310 3.179 1.00 0.00 C ATOM 1692 O ALA A 108 6.584 9.101 3.569 1.00 0.00 O ATOM 1693 CB ALA A 108 5.882 6.018 4.152 1.00 0.00 C ATOM 0 H ALA A 108 3.488 6.211 3.654 1.00 0.00 H new ATOM 0 HA ALA A 108 5.233 7.791 5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.943 6.192 4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.490 5.355 4.923 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.748 5.556 3.174 1.00 0.00 H new ATOM 1699 N ILE A 109 5.314 8.274 1.911 1.00 0.00 N ATOM 1700 CA ILE A 109 5.737 9.226 0.884 1.00 0.00 C ATOM 1701 C ILE A 109 5.403 10.632 1.385 1.00 0.00 C ATOM 1702 O ILE A 109 6.215 11.546 1.256 1.00 0.00 O ATOM 1703 CB ILE A 109 5.027 8.937 -0.465 1.00 0.00 C ATOM 1704 CG1 ILE A 109 5.418 7.599 -1.129 1.00 0.00 C ATOM 1705 CG2 ILE A 109 5.200 10.069 -1.492 1.00 0.00 C ATOM 1706 CD1 ILE A 109 6.812 7.509 -1.752 1.00 0.00 C ATOM 0 H ILE A 109 4.659 7.572 1.567 1.00 0.00 H new ATOM 0 HA ILE A 109 6.809 9.135 0.706 1.00 0.00 H new ATOM 0 HB ILE A 109 3.979 8.866 -0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.331 6.812 -0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 109 4.686 7.381 -1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 109 4.681 9.807 -2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.782 10.992 -1.090 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.260 10.212 -1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.955 6.518 -2.182 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.910 8.261 -2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.566 7.684 -0.984 1.00 0.00 H new ATOM 1718 N TYR A 110 4.212 10.823 1.956 1.00 0.00 N ATOM 1719 CA TYR A 110 3.775 12.139 2.385 1.00 0.00 C ATOM 1720 C TYR A 110 4.664 12.624 3.510 1.00 0.00 C ATOM 1721 O TYR A 110 5.138 13.761 3.489 1.00 0.00 O ATOM 1722 CB TYR A 110 2.308 12.098 2.839 1.00 0.00 C ATOM 1723 CG TYR A 110 1.608 13.438 2.795 1.00 0.00 C ATOM 1724 CD1 TYR A 110 1.634 14.187 1.605 1.00 0.00 C ATOM 1725 CD2 TYR A 110 0.917 13.931 3.919 1.00 0.00 C ATOM 1726 CE1 TYR A 110 0.987 15.426 1.527 1.00 0.00 C ATOM 1727 CE2 TYR A 110 0.241 15.162 3.840 1.00 0.00 C ATOM 1728 CZ TYR A 110 0.285 15.917 2.644 1.00 0.00 C ATOM 1729 OH TYR A 110 -0.362 17.112 2.564 1.00 0.00 O ATOM 0 H TYR A 110 3.537 10.078 2.129 1.00 0.00 H new ATOM 0 HA TYR A 110 3.850 12.831 1.546 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.764 11.395 2.208 1.00 0.00 H new ATOM 0 HB3 TYR A 110 2.265 11.711 3.857 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.158 13.803 0.743 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.906 13.365 4.839 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.026 16.002 0.614 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.311 15.531 4.692 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.798 17.306 3.420 1.00 0.00 H new