USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 487 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 Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.548 F(o=-1.5,f=-0.55) USER MOD Single : A 34 ASN : amide:sc= -0.257 K(o=-0.26,f=-2.6!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.105 K(o=-0.11,f=-2.1!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.179 F(o=-2.3,f=-0.18) USER MOD Single : A 55 LYS NZ :NH3+ -138:sc= -0.449 (180deg=-2.37!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.679 K(o=0.68,f=-0.42) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -150:sc= -0.328 (180deg=-1.33!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -157:sc= 0.00285 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 153:sc= -0.0646 (180deg=-0.462) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 242 N GLN A 21 7.459 8.198 2.154 1.00 0.00 N ATOM 243 CA GLN A 21 6.619 7.033 2.409 1.00 0.00 C ATOM 244 C GLN A 21 6.297 6.300 1.111 1.00 0.00 C ATOM 245 O GLN A 21 6.468 5.086 1.015 1.00 0.00 O ATOM 246 CB GLN A 21 5.325 7.455 3.107 1.00 0.00 C ATOM 247 CG GLN A 21 5.473 7.632 4.609 1.00 0.00 C ATOM 248 CD GLN A 21 5.888 9.039 4.993 1.00 0.00 C ATOM 249 OE1 GLN A 21 5.148 9.998 4.773 1.00 0.00 O ATOM 250 NE2 GLN A 21 7.077 9.169 5.570 1.00 0.00 N ATOM 0 HA GLN A 21 7.169 6.354 3.060 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.976 8.392 2.672 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.556 6.707 2.912 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.527 7.391 5.094 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.213 6.924 4.983 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.657 8.346 5.733 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.410 10.092 5.850 1.00 0.00 H new ATOM 259 N GLU A 22 5.828 7.047 0.116 1.00 0.00 N ATOM 260 CA GLU A 22 5.480 6.467 -1.175 1.00 0.00 C ATOM 261 C GLU A 22 6.727 5.970 -1.902 1.00 0.00 C ATOM 262 O GLU A 22 6.642 5.145 -2.812 1.00 0.00 O ATOM 263 CB GLU A 22 4.748 7.495 -2.041 1.00 0.00 C ATOM 264 CG GLU A 22 3.756 6.877 -3.011 1.00 0.00 C ATOM 265 CD GLU A 22 3.486 7.762 -4.212 1.00 0.00 C ATOM 266 OE1 GLU A 22 3.141 8.946 -4.012 1.00 0.00 O ATOM 267 OE2 GLU A 22 3.620 7.271 -5.353 1.00 0.00 O ATOM 0 H GLU A 22 5.681 8.054 0.180 1.00 0.00 H new ATOM 0 HA GLU A 22 4.821 5.617 -0.997 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.221 8.195 -1.392 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.482 8.072 -2.603 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.138 5.915 -3.352 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.818 6.681 -2.491 1.00 0.00 H new ATOM 274 N LYS A 23 7.885 6.477 -1.493 1.00 0.00 N ATOM 275 CA LYS A 23 9.150 6.086 -2.103 1.00 0.00 C ATOM 276 C LYS A 23 9.725 4.851 -1.417 1.00 0.00 C ATOM 277 O LYS A 23 10.363 4.013 -2.057 1.00 0.00 O ATOM 278 CB LYS A 23 10.154 7.238 -2.028 1.00 0.00 C ATOM 279 CG LYS A 23 10.712 7.469 -0.634 1.00 0.00 C ATOM 280 CD LYS A 23 11.930 8.376 -0.664 1.00 0.00 C ATOM 281 CE LYS A 23 13.214 7.579 -0.838 1.00 0.00 C ATOM 282 NZ LYS A 23 14.413 8.362 -0.429 1.00 0.00 N ATOM 0 H LYS A 23 7.973 7.160 -0.741 1.00 0.00 H new ATOM 0 HA LYS A 23 8.961 5.845 -3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.979 7.035 -2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.672 8.152 -2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.943 7.913 -0.002 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.981 6.513 -0.186 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.832 9.092 -1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.980 8.951 0.261 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.157 6.666 -0.246 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.316 7.277 -1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.267 7.784 -0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.482 9.221 -1.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.329 8.628 0.573 1.00 0.00 H new ATOM 296 N LEU A 24 9.495 4.743 -0.113 1.00 0.00 N ATOM 297 CA LEU A 24 9.990 3.609 0.659 1.00 0.00 C ATOM 298 C LEU A 24 9.174 2.354 0.367 1.00 0.00 C ATOM 299 O LEU A 24 9.665 1.234 0.507 1.00 0.00 O ATOM 300 CB LEU A 24 9.941 3.925 2.155 1.00 0.00 C ATOM 301 CG LEU A 24 10.369 2.797 3.094 1.00 0.00 C ATOM 302 CD1 LEU A 24 11.826 2.431 2.860 1.00 0.00 C ATOM 303 CD2 LEU A 24 10.144 3.197 4.545 1.00 0.00 C ATOM 0 H LEU A 24 8.969 5.427 0.431 1.00 0.00 H new ATOM 0 HA LEU A 24 11.024 3.425 0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.578 4.789 2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.923 4.217 2.411 1.00 0.00 H new ATOM 0 HG LEU A 24 9.757 1.921 2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.112 1.627 3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.957 2.102 1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.454 3.302 3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.454 2.382 5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.730 4.088 4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.087 3.408 4.704 1.00 0.00 H new ATOM 315 N VAL A 25 7.924 2.548 -0.043 1.00 0.00 N ATOM 316 CA VAL A 25 7.040 1.433 -0.358 1.00 0.00 C ATOM 317 C VAL A 25 7.304 0.903 -1.764 1.00 0.00 C ATOM 318 O VAL A 25 7.327 -0.307 -1.988 1.00 0.00 O ATOM 319 CB VAL A 25 5.559 1.840 -0.245 1.00 0.00 C ATOM 320 CG1 VAL A 25 4.655 0.686 -0.649 1.00 0.00 C ATOM 321 CG2 VAL A 25 5.242 2.308 1.167 1.00 0.00 C ATOM 0 H VAL A 25 7.501 3.468 -0.165 1.00 0.00 H new ATOM 0 HA VAL A 25 7.249 0.648 0.369 1.00 0.00 H new ATOM 0 HB VAL A 25 5.375 2.669 -0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.613 0.993 -0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.866 0.403 -1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.838 -0.166 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.191 2.592 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.442 1.501 1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.865 3.168 1.414 1.00 0.00 H new ATOM 331 N TYR A 26 7.504 1.817 -2.706 1.00 0.00 N ATOM 332 CA TYR A 26 7.765 1.443 -4.091 1.00 0.00 C ATOM 333 C TYR A 26 9.066 0.654 -4.206 1.00 0.00 C ATOM 334 O TYR A 26 9.262 -0.105 -5.155 1.00 0.00 O ATOM 335 CB TYR A 26 7.832 2.690 -4.975 1.00 0.00 C ATOM 336 CG TYR A 26 8.183 2.393 -6.415 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.381 1.564 -7.189 1.00 0.00 C ATOM 338 CD2 TYR A 26 9.316 2.943 -7.002 1.00 0.00 C ATOM 339 CE1 TYR A 26 7.698 1.289 -8.505 1.00 0.00 C ATOM 340 CE2 TYR A 26 9.640 2.675 -8.318 1.00 0.00 C ATOM 341 CZ TYR A 26 8.828 1.847 -9.066 1.00 0.00 C ATOM 342 OH TYR A 26 9.146 1.578 -10.377 1.00 0.00 O ATOM 0 H TYR A 26 7.490 2.823 -2.536 1.00 0.00 H new ATOM 0 HA TYR A 26 6.945 0.810 -4.430 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.869 3.200 -4.942 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.571 3.377 -4.564 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.494 1.127 -6.754 1.00 0.00 H new ATOM 0 HD2 TYR A 26 9.954 3.591 -6.420 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.064 0.640 -9.092 1.00 0.00 H new ATOM 0 HE2 TYR A 26 10.524 3.111 -8.759 1.00 0.00 H new ATOM 0 HH TYR A 26 9.971 2.050 -10.617 1.00 0.00 H new ATOM 352 N GLN A 27 9.951 0.839 -3.232 1.00 0.00 N ATOM 353 CA GLN A 27 11.233 0.145 -3.223 1.00 0.00 C ATOM 354 C GLN A 27 11.094 -1.249 -2.621 1.00 0.00 C ATOM 355 O GLN A 27 11.882 -2.147 -2.920 1.00 0.00 O ATOM 356 CB GLN A 27 12.269 0.952 -2.438 1.00 0.00 C ATOM 357 CG GLN A 27 13.427 0.115 -1.921 1.00 0.00 C ATOM 358 CD GLN A 27 14.401 -0.274 -3.016 1.00 0.00 C ATOM 359 OE1 GLN A 27 13.906 -0.983 -4.024 1.00 0.00 O flip ATOM 360 NE2 GLN A 27 15.585 0.059 -2.956 1.00 0.00 N flip ATOM 0 H GLN A 27 9.804 1.464 -2.439 1.00 0.00 H new ATOM 0 HA GLN A 27 11.569 0.043 -4.255 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.661 1.744 -3.077 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.777 1.437 -1.595 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.958 0.673 -1.150 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.036 -0.787 -1.450 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.922 0.604 -2.162 1.00 0.00 H new ATOM 0 HE22 GLN A 27 16.229 -0.210 -3.700 1.00 0.00 H new ATOM 369 N ILE A 28 10.087 -1.422 -1.771 1.00 0.00 N ATOM 370 CA ILE A 28 9.845 -2.708 -1.127 1.00 0.00 C ATOM 371 C ILE A 28 9.083 -3.651 -2.052 1.00 0.00 C ATOM 372 O ILE A 28 9.239 -4.870 -1.977 1.00 0.00 O ATOM 373 CB ILE A 28 9.053 -2.540 0.183 1.00 0.00 C ATOM 374 CG1 ILE A 28 9.886 -1.777 1.215 1.00 0.00 C ATOM 375 CG2 ILE A 28 8.639 -3.899 0.729 1.00 0.00 C ATOM 376 CD1 ILE A 28 9.053 -0.990 2.201 1.00 0.00 C ATOM 0 H ILE A 28 9.426 -0.689 -1.512 1.00 0.00 H new ATOM 0 HA ILE A 28 10.821 -3.137 -0.900 1.00 0.00 H new ATOM 0 HB ILE A 28 8.152 -1.963 -0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.509 -2.485 1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.559 -1.095 0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.080 -3.764 1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.012 -4.409 -0.002 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.528 -4.498 0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.709 -0.475 2.902 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.449 -0.258 1.665 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.399 -1.669 2.748 1.00 0.00 H new ATOM 388 N ILE A 29 8.260 -3.078 -2.924 1.00 0.00 N ATOM 389 CA ILE A 29 7.476 -3.868 -3.865 1.00 0.00 C ATOM 390 C ILE A 29 8.360 -4.456 -4.959 1.00 0.00 C ATOM 391 O ILE A 29 8.284 -5.647 -5.258 1.00 0.00 O ATOM 392 CB ILE A 29 6.364 -3.025 -4.518 1.00 0.00 C ATOM 393 CG1 ILE A 29 5.487 -2.379 -3.444 1.00 0.00 C ATOM 394 CG2 ILE A 29 5.524 -3.886 -5.449 1.00 0.00 C ATOM 395 CD1 ILE A 29 4.692 -1.193 -3.945 1.00 0.00 C ATOM 0 H ILE A 29 8.119 -2.071 -2.998 1.00 0.00 H new ATOM 0 HA ILE A 29 7.020 -4.677 -3.295 1.00 0.00 H new ATOM 0 HB ILE A 29 6.827 -2.233 -5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.799 -3.127 -3.050 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.118 -2.059 -2.615 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.743 -3.276 -5.903 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.159 -4.303 -6.231 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.068 -4.697 -4.882 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.094 -0.786 -3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.374 -0.427 -4.312 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.034 -1.511 -4.754 1.00 0.00 H new ATOM 407 N GLU A 30 9.201 -3.613 -5.551 1.00 0.00 N ATOM 408 CA GLU A 30 10.101 -4.051 -6.611 1.00 0.00 C ATOM 409 C GLU A 30 11.049 -5.135 -6.107 1.00 0.00 C ATOM 410 O GLU A 30 11.567 -5.934 -6.887 1.00 0.00 O ATOM 411 CB GLU A 30 10.904 -2.866 -7.151 1.00 0.00 C ATOM 412 CG GLU A 30 12.089 -2.486 -6.279 1.00 0.00 C ATOM 413 CD GLU A 30 13.309 -3.347 -6.546 1.00 0.00 C ATOM 414 OE1 GLU A 30 13.539 -3.703 -7.720 1.00 0.00 O ATOM 415 OE2 GLU A 30 14.033 -3.664 -5.579 1.00 0.00 O ATOM 0 H GLU A 30 9.277 -2.624 -5.314 1.00 0.00 H new ATOM 0 HA GLU A 30 9.496 -4.468 -7.416 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.262 -3.107 -8.152 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.244 -2.004 -7.248 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.342 -1.440 -6.452 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.807 -2.577 -5.230 1.00 0.00 H new ATOM 422 N ASP A 31 11.273 -5.154 -4.797 1.00 0.00 N ATOM 423 CA ASP A 31 12.158 -6.139 -4.187 1.00 0.00 C ATOM 424 C ASP A 31 11.537 -7.531 -4.234 1.00 0.00 C ATOM 425 O ASP A 31 12.230 -8.524 -4.453 1.00 0.00 O ATOM 426 CB ASP A 31 12.465 -5.752 -2.739 1.00 0.00 C ATOM 427 CG ASP A 31 13.695 -4.873 -2.623 1.00 0.00 C ATOM 428 OD1 ASP A 31 14.725 -5.207 -3.246 1.00 0.00 O ATOM 429 OD2 ASP A 31 13.627 -3.850 -1.911 1.00 0.00 O ATOM 0 H ASP A 31 10.854 -4.498 -4.138 1.00 0.00 H new ATOM 0 HA ASP A 31 13.088 -6.157 -4.755 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.607 -5.229 -2.316 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.611 -6.656 -2.147 1.00 0.00 H new ATOM 434 N ALA A 32 10.226 -7.596 -4.026 1.00 0.00 N ATOM 435 CA ALA A 32 9.511 -8.866 -4.046 1.00 0.00 C ATOM 436 C ALA A 32 9.771 -9.622 -5.344 1.00 0.00 C ATOM 437 O ALA A 32 9.823 -10.852 -5.358 1.00 0.00 O ATOM 438 CB ALA A 32 8.019 -8.635 -3.857 1.00 0.00 C ATOM 0 H ALA A 32 9.637 -6.784 -3.842 1.00 0.00 H new ATOM 0 HA ALA A 32 9.880 -9.475 -3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.498 -9.592 -3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.845 -8.144 -2.899 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.644 -8.003 -4.662 1.00 0.00 H new ATOM 444 N GLY A 33 9.933 -8.879 -6.435 1.00 0.00 N ATOM 445 CA GLY A 33 10.185 -9.498 -7.723 1.00 0.00 C ATOM 446 C GLY A 33 8.906 -9.843 -8.460 1.00 0.00 C ATOM 447 O GLY A 33 7.814 -9.481 -8.025 1.00 0.00 O ATOM 0 H GLY A 33 9.894 -7.860 -6.450 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.783 -8.824 -8.336 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.773 -10.404 -7.578 1.00 0.00 H new ATOM 451 N ASN A 34 9.042 -10.545 -9.581 1.00 0.00 N ATOM 452 CA ASN A 34 7.888 -10.938 -10.381 1.00 0.00 C ATOM 453 C ASN A 34 6.813 -11.579 -9.508 1.00 0.00 C ATOM 454 O ASN A 34 5.618 -11.400 -9.744 1.00 0.00 O ATOM 455 CB ASN A 34 8.313 -11.911 -11.483 1.00 0.00 C ATOM 456 CG ASN A 34 8.942 -13.175 -10.927 1.00 0.00 C ATOM 457 OD1 ASN A 34 9.963 -13.123 -10.241 1.00 0.00 O ATOM 458 ND2 ASN A 34 8.334 -14.317 -11.223 1.00 0.00 N ATOM 0 H ASN A 34 9.939 -10.853 -9.955 1.00 0.00 H new ATOM 0 HA ASN A 34 7.472 -10.040 -10.838 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.444 -12.175 -12.086 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.023 -11.417 -12.147 1.00 0.00 H new ATOM 0 HD21 ASN A 34 8.711 -15.200 -10.878 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.490 -14.312 -11.795 1.00 0.00 H new ATOM 465 N LYS A 35 7.247 -12.325 -8.498 1.00 0.00 N ATOM 466 CA LYS A 35 6.323 -12.991 -7.587 1.00 0.00 C ATOM 467 C LYS A 35 5.372 -11.987 -6.946 1.00 0.00 C ATOM 468 O LYS A 35 4.225 -12.311 -6.640 1.00 0.00 O ATOM 469 CB LYS A 35 7.098 -13.742 -6.501 1.00 0.00 C ATOM 470 CG LYS A 35 8.017 -14.822 -7.046 1.00 0.00 C ATOM 471 CD LYS A 35 8.936 -15.368 -5.966 1.00 0.00 C ATOM 472 CE LYS A 35 10.232 -14.576 -5.884 1.00 0.00 C ATOM 473 NZ LYS A 35 11.344 -15.390 -5.319 1.00 0.00 N ATOM 0 H LYS A 35 8.233 -12.484 -8.289 1.00 0.00 H new ATOM 0 HA LYS A 35 5.734 -13.704 -8.164 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.690 -13.028 -5.929 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.389 -14.195 -5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.420 -15.634 -7.462 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.614 -14.415 -7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.427 -15.335 -5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.160 -16.414 -6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.507 -14.226 -6.879 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.079 -13.691 -5.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.210 -14.815 -5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.092 -15.703 -4.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.508 -16.221 -5.923 1.00 0.00 H new ATOM 487 N GLY A 36 5.856 -10.764 -6.746 1.00 0.00 N ATOM 488 CA GLY A 36 5.035 -9.731 -6.143 1.00 0.00 C ATOM 489 C GLY A 36 5.026 -9.806 -4.629 1.00 0.00 C ATOM 490 O GLY A 36 5.760 -10.598 -4.036 1.00 0.00 O ATOM 0 H GLY A 36 6.802 -10.471 -6.991 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.402 -8.753 -6.453 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.014 -9.820 -6.514 1.00 0.00 H new ATOM 494 N ILE A 37 4.196 -8.980 -4.002 1.00 0.00 N ATOM 495 CA ILE A 37 4.096 -8.957 -2.548 1.00 0.00 C ATOM 496 C ILE A 37 2.669 -8.659 -2.099 1.00 0.00 C ATOM 497 O ILE A 37 1.879 -8.088 -2.850 1.00 0.00 O ATOM 498 CB ILE A 37 5.044 -7.909 -1.935 1.00 0.00 C ATOM 499 CG1 ILE A 37 5.040 -8.016 -0.409 1.00 0.00 C ATOM 500 CG2 ILE A 37 4.641 -6.509 -2.374 1.00 0.00 C ATOM 501 CD1 ILE A 37 5.978 -7.042 0.268 1.00 0.00 C ATOM 0 H ILE A 37 3.583 -8.318 -4.478 1.00 0.00 H new ATOM 0 HA ILE A 37 4.386 -9.947 -2.197 1.00 0.00 H new ATOM 0 HB ILE A 37 6.056 -8.104 -2.291 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.027 -7.846 -0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.316 -9.031 -0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.320 -5.780 -1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.691 -6.440 -3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.623 -6.303 -2.044 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.923 -7.175 1.348 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.998 -7.226 -0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.690 -6.022 0.013 1.00 0.00 H new ATOM 513 N TRP A 38 2.348 -9.049 -0.871 1.00 0.00 N ATOM 514 CA TRP A 38 1.016 -8.822 -0.321 1.00 0.00 C ATOM 515 C TRP A 38 0.934 -7.462 0.363 1.00 0.00 C ATOM 516 O TRP A 38 1.877 -7.034 1.028 1.00 0.00 O ATOM 517 CB TRP A 38 0.656 -9.929 0.671 1.00 0.00 C ATOM 518 CG TRP A 38 -0.815 -10.032 0.939 1.00 0.00 C ATOM 519 CD1 TRP A 38 -1.826 -9.849 0.040 1.00 0.00 C ATOM 520 CD2 TRP A 38 -1.439 -10.339 2.191 1.00 0.00 C ATOM 521 NE1 TRP A 38 -3.041 -10.024 0.657 1.00 0.00 N ATOM 522 CE2 TRP A 38 -2.831 -10.326 1.976 1.00 0.00 C ATOM 523 CE3 TRP A 38 -0.957 -10.625 3.471 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -3.743 -10.588 2.995 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -1.863 -10.884 4.481 1.00 0.00 C ATOM 526 CH2 TRP A 38 -3.243 -10.865 4.239 1.00 0.00 C ATOM 0 H TRP A 38 2.991 -9.524 -0.237 1.00 0.00 H new ATOM 0 HA TRP A 38 0.302 -8.836 -1.145 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.015 -10.883 0.286 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.177 -9.748 1.611 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.691 -9.603 -1.003 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.952 -9.942 0.206 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.105 -10.643 3.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.807 -10.573 2.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.501 -11.105 5.474 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.926 -11.073 5.050 1.00 0.00 H new ATOM 537 N SER A 39 -0.199 -6.788 0.196 1.00 0.00 N ATOM 538 CA SER A 39 -0.402 -5.474 0.795 1.00 0.00 C ATOM 539 C SER A 39 0.142 -5.437 2.220 1.00 0.00 C ATOM 540 O SER A 39 0.991 -4.608 2.551 1.00 0.00 O ATOM 541 CB SER A 39 -1.889 -5.115 0.796 1.00 0.00 C ATOM 542 OG SER A 39 -2.187 -4.177 1.815 1.00 0.00 O ATOM 0 H SER A 39 -0.990 -7.130 -0.349 1.00 0.00 H new ATOM 0 HA SER A 39 0.141 -4.742 0.198 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.167 -4.703 -0.174 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.484 -6.017 0.942 1.00 0.00 H new ATOM 0 HG SER A 39 -3.143 -3.963 1.793 1.00 0.00 H new ATOM 548 N ARG A 40 -0.353 -6.341 3.059 1.00 0.00 N ATOM 549 CA ARG A 40 0.082 -6.411 4.449 1.00 0.00 C ATOM 550 C ARG A 40 1.604 -6.478 4.540 1.00 0.00 C ATOM 551 O ARG A 40 2.242 -5.589 5.104 1.00 0.00 O ATOM 552 CB ARG A 40 -0.534 -7.631 5.137 1.00 0.00 C ATOM 553 CG ARG A 40 -1.895 -7.357 5.756 1.00 0.00 C ATOM 554 CD ARG A 40 -3.014 -7.529 4.740 1.00 0.00 C ATOM 555 NE ARG A 40 -4.167 -6.688 5.048 1.00 0.00 N ATOM 556 CZ ARG A 40 -5.389 -6.916 4.581 1.00 0.00 C ATOM 557 NH1 ARG A 40 -5.616 -7.955 3.789 1.00 0.00 N ATOM 558 NH2 ARG A 40 -6.388 -6.106 4.907 1.00 0.00 N ATOM 0 H ARG A 40 -1.055 -7.035 2.801 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.256 -5.507 4.955 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.630 -8.438 4.410 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.145 -7.981 5.914 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.057 -8.033 6.595 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.917 -6.343 6.155 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.642 -7.283 3.746 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.324 -8.574 4.715 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.026 -5.881 5.655 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.851 -8.581 3.537 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.555 -8.128 3.432 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.218 -5.307 5.517 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.326 -6.283 4.547 1.00 0.00 H new ATOM 572 N ASP A 41 2.179 -7.538 3.982 1.00 0.00 N ATOM 573 CA ASP A 41 3.626 -7.720 3.999 1.00 0.00 C ATOM 574 C ASP A 41 4.344 -6.379 3.897 1.00 0.00 C ATOM 575 O ASP A 41 5.375 -6.164 4.536 1.00 0.00 O ATOM 576 CB ASP A 41 4.059 -8.634 2.851 1.00 0.00 C ATOM 577 CG ASP A 41 5.552 -8.901 2.857 1.00 0.00 C ATOM 578 OD1 ASP A 41 6.307 -8.039 3.353 1.00 0.00 O ATOM 579 OD2 ASP A 41 5.965 -9.972 2.363 1.00 0.00 O ATOM 0 H ASP A 41 1.665 -8.284 3.513 1.00 0.00 H new ATOM 0 HA ASP A 41 3.898 -8.185 4.946 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.523 -9.580 2.922 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.778 -8.179 1.902 1.00 0.00 H new ATOM 584 N VAL A 42 3.794 -5.478 3.090 1.00 0.00 N ATOM 585 CA VAL A 42 4.382 -4.157 2.904 1.00 0.00 C ATOM 586 C VAL A 42 4.385 -3.368 4.209 1.00 0.00 C ATOM 587 O VAL A 42 5.420 -2.853 4.632 1.00 0.00 O ATOM 588 CB VAL A 42 3.624 -3.351 1.832 1.00 0.00 C ATOM 589 CG1 VAL A 42 4.375 -2.071 1.496 1.00 0.00 C ATOM 590 CG2 VAL A 42 3.408 -4.195 0.585 1.00 0.00 C ATOM 0 H VAL A 42 2.941 -5.639 2.554 1.00 0.00 H new ATOM 0 HA VAL A 42 5.409 -4.312 2.573 1.00 0.00 H new ATOM 0 HB VAL A 42 2.647 -3.077 2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.825 -1.515 0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.473 -1.460 2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.366 -2.320 1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.871 -3.610 -0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.373 -4.501 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.825 -5.080 0.841 1.00 0.00 H new ATOM 600 N ARG A 43 3.220 -3.279 4.843 1.00 0.00 N ATOM 601 CA ARG A 43 3.088 -2.552 6.100 1.00 0.00 C ATOM 602 C ARG A 43 4.355 -2.684 6.939 1.00 0.00 C ATOM 603 O ARG A 43 4.992 -1.687 7.281 1.00 0.00 O ATOM 604 CB ARG A 43 1.885 -3.071 6.889 1.00 0.00 C ATOM 605 CG ARG A 43 0.591 -2.334 6.582 1.00 0.00 C ATOM 606 CD ARG A 43 -0.609 -3.033 7.202 1.00 0.00 C ATOM 607 NE ARG A 43 -0.843 -2.600 8.578 1.00 0.00 N ATOM 608 CZ ARG A 43 -1.755 -3.146 9.374 1.00 0.00 C ATOM 609 NH1 ARG A 43 -2.514 -4.140 8.935 1.00 0.00 N ATOM 610 NH2 ARG A 43 -1.909 -2.697 10.614 1.00 0.00 N ATOM 0 H ARG A 43 2.354 -3.701 4.507 1.00 0.00 H new ATOM 0 HA ARG A 43 2.935 -1.498 5.868 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.750 -4.131 6.673 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.097 -2.987 7.955 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.654 -1.313 6.959 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.457 -2.267 5.502 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.496 -2.831 6.602 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.450 -4.111 7.183 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.275 -1.837 8.947 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.399 -4.488 7.983 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.214 -4.557 9.549 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.327 -1.932 10.956 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.610 -3.117 11.225 1.00 0.00 H new ATOM 624 N TYR A 44 4.715 -3.919 7.268 1.00 0.00 N ATOM 625 CA TYR A 44 5.904 -4.181 8.070 1.00 0.00 C ATOM 626 C TYR A 44 7.143 -3.567 7.425 1.00 0.00 C ATOM 627 O TYR A 44 7.895 -2.834 8.068 1.00 0.00 O ATOM 628 CB TYR A 44 6.103 -5.687 8.250 1.00 0.00 C ATOM 629 CG TYR A 44 4.808 -6.457 8.382 1.00 0.00 C ATOM 630 CD1 TYR A 44 4.075 -6.423 9.562 1.00 0.00 C ATOM 631 CD2 TYR A 44 4.319 -7.218 7.328 1.00 0.00 C ATOM 632 CE1 TYR A 44 2.892 -7.125 9.688 1.00 0.00 C ATOM 633 CE2 TYR A 44 3.136 -7.922 7.445 1.00 0.00 C ATOM 634 CZ TYR A 44 2.427 -7.873 8.627 1.00 0.00 C ATOM 635 OH TYR A 44 1.249 -8.574 8.747 1.00 0.00 O ATOM 0 H TYR A 44 4.200 -4.755 6.992 1.00 0.00 H new ATOM 0 HA TYR A 44 5.759 -3.721 9.048 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.662 -6.076 7.399 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.712 -5.861 9.137 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.436 -5.838 10.395 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.873 -7.260 6.402 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.334 -7.088 10.612 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.768 -8.508 6.615 1.00 0.00 H new ATOM 0 HH TYR A 44 1.063 -9.047 7.909 1.00 0.00 H new ATOM 645 N LYS A 45 7.348 -3.871 6.148 1.00 0.00 N ATOM 646 CA LYS A 45 8.493 -3.349 5.411 1.00 0.00 C ATOM 647 C LYS A 45 8.537 -1.826 5.482 1.00 0.00 C ATOM 648 O LYS A 45 9.477 -1.247 6.027 1.00 0.00 O ATOM 649 CB LYS A 45 8.435 -3.801 3.950 1.00 0.00 C ATOM 650 CG LYS A 45 8.440 -5.310 3.779 1.00 0.00 C ATOM 651 CD LYS A 45 9.553 -5.959 4.585 1.00 0.00 C ATOM 652 CE LYS A 45 9.904 -7.335 4.042 1.00 0.00 C ATOM 653 NZ LYS A 45 10.689 -8.134 5.023 1.00 0.00 N ATOM 0 H LYS A 45 6.736 -4.477 5.601 1.00 0.00 H new ATOM 0 HA LYS A 45 9.399 -3.743 5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.535 -3.395 3.488 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.286 -3.380 3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.478 -5.716 4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.562 -5.557 2.724 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.437 -5.322 4.565 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.246 -6.045 5.627 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.989 -7.870 3.788 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.476 -7.227 3.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.909 -9.065 4.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.574 -7.636 5.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.133 -8.259 5.893 1.00 0.00 H new ATOM 667 N SER A 46 7.514 -1.182 4.928 1.00 0.00 N ATOM 668 CA SER A 46 7.438 0.274 4.926 1.00 0.00 C ATOM 669 C SER A 46 7.216 0.808 6.338 1.00 0.00 C ATOM 670 O SER A 46 7.308 2.010 6.580 1.00 0.00 O ATOM 671 CB SER A 46 6.309 0.746 4.007 1.00 0.00 C ATOM 672 OG SER A 46 5.078 0.140 4.360 1.00 0.00 O ATOM 0 H SER A 46 6.727 -1.646 4.475 1.00 0.00 H new ATOM 0 HA SER A 46 8.386 0.662 4.554 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.215 1.830 4.068 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.553 0.505 2.972 1.00 0.00 H new ATOM 0 HG SER A 46 4.372 0.459 3.759 1.00 0.00 H new ATOM 678 N ASN A 47 6.923 -0.097 7.267 1.00 0.00 N ATOM 679 CA ASN A 47 6.687 0.282 8.655 1.00 0.00 C ATOM 680 C ASN A 47 5.573 1.320 8.754 1.00 0.00 C ATOM 681 O ASN A 47 5.531 2.113 9.695 1.00 0.00 O ATOM 682 CB ASN A 47 7.970 0.833 9.281 1.00 0.00 C ATOM 683 CG ASN A 47 8.004 0.651 10.786 1.00 0.00 C ATOM 684 OD1 ASN A 47 7.142 -0.012 11.362 1.00 0.00 O ATOM 685 ND2 ASN A 47 9.005 1.240 11.431 1.00 0.00 N ATOM 0 H ASN A 47 6.843 -1.097 7.083 1.00 0.00 H new ATOM 0 HA ASN A 47 6.378 -0.609 9.201 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.831 0.333 8.838 1.00 0.00 H new ATOM 0 HB3 ASN A 47 8.060 1.893 9.044 1.00 0.00 H new ATOM 0 HD21 ASN A 47 9.081 1.152 12.444 1.00 0.00 H new ATOM 0 HD22 ASN A 47 9.698 1.780 10.913 1.00 0.00 H new ATOM 692 N LEU A 48 4.673 1.308 7.778 1.00 0.00 N ATOM 693 CA LEU A 48 3.558 2.248 7.754 1.00 0.00 C ATOM 694 C LEU A 48 2.240 1.536 8.043 1.00 0.00 C ATOM 695 O LEU A 48 2.102 0.329 7.845 1.00 0.00 O ATOM 696 CB LEU A 48 3.485 2.950 6.397 1.00 0.00 C ATOM 697 CG LEU A 48 4.500 4.069 6.165 1.00 0.00 C ATOM 698 CD1 LEU A 48 4.635 4.368 4.680 1.00 0.00 C ATOM 699 CD2 LEU A 48 4.097 5.322 6.928 1.00 0.00 C ATOM 0 H LEU A 48 4.693 0.658 6.992 1.00 0.00 H new ATOM 0 HA LEU A 48 3.726 2.993 8.532 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.615 2.201 5.616 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.484 3.364 6.278 1.00 0.00 H new ATOM 0 HG LEU A 48 5.469 3.737 6.538 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.362 5.167 4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.971 3.472 4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.669 4.679 4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.831 6.108 6.751 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.118 5.657 6.586 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.053 5.100 7.994 1.00 0.00 H new ATOM 711 N PRO A 49 1.246 2.301 8.520 1.00 0.00 N ATOM 712 CA PRO A 49 -0.079 1.765 8.843 1.00 0.00 C ATOM 713 C PRO A 49 -0.859 1.357 7.598 1.00 0.00 C ATOM 714 O PRO A 49 -0.591 1.843 6.498 1.00 0.00 O ATOM 715 CB PRO A 49 -0.772 2.933 9.549 1.00 0.00 C ATOM 716 CG PRO A 49 -0.087 4.150 9.029 1.00 0.00 C ATOM 717 CD PRO A 49 1.340 3.747 8.780 1.00 0.00 C ATOM 0 HA PRO A 49 -0.016 0.860 9.448 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.839 2.954 9.326 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.674 2.856 10.632 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.559 4.502 8.112 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.142 4.967 9.749 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.766 4.281 7.931 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.974 3.960 9.641 1.00 0.00 H new ATOM 725 N LEU A 50 -1.826 0.464 7.777 1.00 0.00 N ATOM 726 CA LEU A 50 -2.646 -0.009 6.667 1.00 0.00 C ATOM 727 C LEU A 50 -3.169 1.161 5.840 1.00 0.00 C ATOM 728 O LEU A 50 -3.101 1.146 4.610 1.00 0.00 O ATOM 729 CB LEU A 50 -3.818 -0.841 7.192 1.00 0.00 C ATOM 730 CG LEU A 50 -4.672 -1.539 6.133 1.00 0.00 C ATOM 731 CD1 LEU A 50 -5.524 -0.527 5.382 1.00 0.00 C ATOM 732 CD2 LEU A 50 -3.793 -2.319 5.167 1.00 0.00 C ATOM 0 H LEU A 50 -2.062 0.053 8.680 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.023 -0.633 6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.425 -1.598 7.870 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.465 -0.190 7.781 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.337 -2.241 6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.125 -1.042 4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.181 -0.013 6.083 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.877 0.200 4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.418 -2.809 4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.103 -1.637 4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.227 -3.071 5.716 1.00 0.00 H new ATOM 744 N THR A 51 -3.689 2.177 6.522 1.00 0.00 N ATOM 745 CA THR A 51 -4.222 3.355 5.850 1.00 0.00 C ATOM 746 C THR A 51 -3.166 4.009 4.966 1.00 0.00 C ATOM 747 O THR A 51 -3.493 4.712 4.011 1.00 0.00 O ATOM 748 CB THR A 51 -4.741 4.393 6.864 1.00 0.00 C ATOM 749 OG1 THR A 51 -5.485 5.411 6.185 1.00 0.00 O ATOM 750 CG2 THR A 51 -3.588 5.025 7.629 1.00 0.00 C ATOM 0 H THR A 51 -3.752 2.207 7.540 1.00 0.00 H new ATOM 0 HA THR A 51 -5.052 3.017 5.230 1.00 0.00 H new ATOM 0 HB THR A 51 -5.391 3.882 7.575 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.813 6.066 6.836 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.979 5.754 8.339 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.041 4.251 8.168 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.917 5.523 6.929 1.00 0.00 H new ATOM 758 N GLU A 52 -1.899 3.771 5.291 1.00 0.00 N ATOM 759 CA GLU A 52 -0.796 4.338 4.525 1.00 0.00 C ATOM 760 C GLU A 52 -0.417 3.427 3.361 1.00 0.00 C ATOM 761 O GLU A 52 -0.155 3.896 2.253 1.00 0.00 O ATOM 762 CB GLU A 52 0.419 4.563 5.428 1.00 0.00 C ATOM 763 CG GLU A 52 0.383 5.883 6.180 1.00 0.00 C ATOM 764 CD GLU A 52 0.525 7.081 5.262 1.00 0.00 C ATOM 765 OE1 GLU A 52 1.258 6.973 4.256 1.00 0.00 O ATOM 766 OE2 GLU A 52 -0.095 8.126 5.549 1.00 0.00 O ATOM 0 H GLU A 52 -1.612 3.190 6.079 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.122 5.297 4.122 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.483 3.746 6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.324 4.525 4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.556 5.959 6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.185 5.898 6.918 1.00 0.00 H new ATOM 773 N ILE A 53 -0.389 2.125 3.622 1.00 0.00 N ATOM 774 CA ILE A 53 -0.042 1.148 2.597 1.00 0.00 C ATOM 775 C ILE A 53 -1.122 1.072 1.523 1.00 0.00 C ATOM 776 O ILE A 53 -0.838 0.782 0.362 1.00 0.00 O ATOM 777 CB ILE A 53 0.165 -0.253 3.202 1.00 0.00 C ATOM 778 CG1 ILE A 53 1.548 -0.353 3.850 1.00 0.00 C ATOM 779 CG2 ILE A 53 -0.003 -1.321 2.132 1.00 0.00 C ATOM 780 CD1 ILE A 53 1.757 0.628 4.982 1.00 0.00 C ATOM 0 H ILE A 53 -0.602 1.722 4.534 1.00 0.00 H new ATOM 0 HA ILE A 53 0.893 1.481 2.146 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.589 -0.416 3.972 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.692 -1.366 4.227 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.310 -0.185 3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.146 -2.306 2.574 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.007 -1.260 1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.731 -1.163 1.342 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.758 0.500 5.394 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.646 1.645 4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.018 0.446 5.762 1.00 0.00 H new ATOM 792 N ASN A 54 -2.363 1.336 1.920 1.00 0.00 N ATOM 793 CA ASN A 54 -3.487 1.298 0.991 1.00 0.00 C ATOM 794 C ASN A 54 -3.443 2.487 0.036 1.00 0.00 C ATOM 795 O ASN A 54 -3.489 2.321 -1.183 1.00 0.00 O ATOM 796 CB ASN A 54 -4.810 1.294 1.759 1.00 0.00 C ATOM 797 CG ASN A 54 -5.280 -0.108 2.094 1.00 0.00 C ATOM 798 OD1 ASN A 54 -4.356 -0.949 2.545 1.00 0.00 O flip ATOM 799 ND2 ASN A 54 -6.459 -0.430 1.950 1.00 0.00 N flip ATOM 0 H ASN A 54 -2.616 1.578 2.878 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.412 0.382 0.405 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.694 1.865 2.680 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.573 1.798 1.166 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.134 0.250 1.600 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.761 -1.377 2.180 1.00 0.00 H new ATOM 806 N LYS A 55 -3.354 3.688 0.599 1.00 0.00 N ATOM 807 CA LYS A 55 -3.302 4.906 -0.201 1.00 0.00 C ATOM 808 C LYS A 55 -2.014 4.968 -1.015 1.00 0.00 C ATOM 809 O LYS A 55 -2.010 5.438 -2.153 1.00 0.00 O ATOM 810 CB LYS A 55 -3.408 6.138 0.702 1.00 0.00 C ATOM 811 CG LYS A 55 -2.169 6.381 1.547 1.00 0.00 C ATOM 812 CD LYS A 55 -2.185 7.764 2.174 1.00 0.00 C ATOM 813 CE LYS A 55 -3.059 7.803 3.418 1.00 0.00 C ATOM 814 NZ LYS A 55 -4.507 7.859 3.077 1.00 0.00 N ATOM 0 H LYS A 55 -3.316 3.843 1.606 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.146 4.895 -0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.594 7.016 0.084 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.269 6.023 1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.108 5.626 2.331 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.278 6.271 0.928 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.168 8.059 2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.552 8.489 1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.863 6.921 4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.794 8.672 4.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.985 8.537 3.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.619 8.163 2.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.929 6.916 3.199 1.00 0.00 H new ATOM 828 N ILE A 56 -0.923 4.491 -0.425 1.00 0.00 N ATOM 829 CA ILE A 56 0.370 4.490 -1.097 1.00 0.00 C ATOM 830 C ILE A 56 0.397 3.478 -2.237 1.00 0.00 C ATOM 831 O ILE A 56 0.703 3.821 -3.380 1.00 0.00 O ATOM 832 CB ILE A 56 1.514 4.172 -0.117 1.00 0.00 C ATOM 833 CG1 ILE A 56 1.665 5.298 0.908 1.00 0.00 C ATOM 834 CG2 ILE A 56 2.817 3.959 -0.873 1.00 0.00 C ATOM 835 CD1 ILE A 56 2.387 4.875 2.169 1.00 0.00 C ATOM 0 H ILE A 56 -0.909 4.100 0.517 1.00 0.00 H new ATOM 0 HA ILE A 56 0.516 5.492 -1.500 1.00 0.00 H new ATOM 0 HB ILE A 56 1.271 3.252 0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.206 6.126 0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.676 5.672 1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.616 3.735 -0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.703 3.126 -1.567 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.067 4.863 -1.429 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.458 5.723 2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.835 4.068 2.651 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.389 4.529 1.916 1.00 0.00 H new ATOM 847 N LEU A 57 0.072 2.230 -1.920 1.00 0.00 N ATOM 848 CA LEU A 57 0.056 1.166 -2.919 1.00 0.00 C ATOM 849 C LEU A 57 -0.751 1.582 -4.145 1.00 0.00 C ATOM 850 O LEU A 57 -0.351 1.325 -5.281 1.00 0.00 O ATOM 851 CB LEU A 57 -0.529 -0.114 -2.320 1.00 0.00 C ATOM 852 CG LEU A 57 0.411 -0.930 -1.432 1.00 0.00 C ATOM 853 CD1 LEU A 57 -0.335 -2.087 -0.786 1.00 0.00 C ATOM 854 CD2 LEU A 57 1.596 -1.442 -2.239 1.00 0.00 C ATOM 0 H LEU A 57 -0.184 1.929 -0.980 1.00 0.00 H new ATOM 0 HA LEU A 57 1.084 0.978 -3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.409 0.152 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.869 -0.751 -3.136 1.00 0.00 H new ATOM 0 HG LEU A 57 0.788 -0.281 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.350 -2.656 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.150 -1.699 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.741 -2.737 -1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.255 -2.021 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.237 -2.075 -3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.146 -0.597 -2.654 1.00 0.00 H new ATOM 866 N LYS A 58 -1.887 2.228 -3.907 1.00 0.00 N ATOM 867 CA LYS A 58 -2.749 2.684 -4.991 1.00 0.00 C ATOM 868 C LYS A 58 -2.058 3.762 -5.820 1.00 0.00 C ATOM 869 O LYS A 58 -1.842 3.593 -7.019 1.00 0.00 O ATOM 870 CB LYS A 58 -4.067 3.224 -4.430 1.00 0.00 C ATOM 871 CG LYS A 58 -5.229 3.124 -5.403 1.00 0.00 C ATOM 872 CD LYS A 58 -6.457 3.852 -4.882 1.00 0.00 C ATOM 873 CE LYS A 58 -7.224 3.004 -3.879 1.00 0.00 C ATOM 874 NZ LYS A 58 -8.255 3.798 -3.155 1.00 0.00 N ATOM 0 H LYS A 58 -2.232 2.448 -2.973 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.958 1.832 -5.638 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.317 2.676 -3.521 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.931 4.267 -4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.936 3.545 -6.365 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.472 2.075 -5.574 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.154 4.788 -4.413 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.109 4.110 -5.716 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.703 2.173 -4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.527 2.572 -3.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.756 3.184 -2.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.796 4.576 -2.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.935 4.189 -3.838 1.00 0.00 H new ATOM 888 N ASN A 59 -1.713 4.870 -5.172 1.00 0.00 N ATOM 889 CA ASN A 59 -1.045 5.975 -5.849 1.00 0.00 C ATOM 890 C ASN A 59 -0.092 5.459 -6.923 1.00 0.00 C ATOM 891 O ASN A 59 -0.132 5.906 -8.070 1.00 0.00 O ATOM 892 CB ASN A 59 -0.277 6.831 -4.839 1.00 0.00 C ATOM 893 CG ASN A 59 -1.120 7.961 -4.281 1.00 0.00 C ATOM 894 OD1 ASN A 59 -0.820 9.137 -4.493 1.00 0.00 O ATOM 895 ND2 ASN A 59 -2.179 7.610 -3.562 1.00 0.00 N ATOM 0 H ASN A 59 -1.885 5.026 -4.179 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.808 6.588 -6.329 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.068 6.200 -4.020 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.610 7.245 -5.318 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.782 8.327 -3.159 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.389 6.623 -3.412 1.00 0.00 H new ATOM 902 N LEU A 60 0.762 4.515 -6.544 1.00 0.00 N ATOM 903 CA LEU A 60 1.725 3.937 -7.475 1.00 0.00 C ATOM 904 C LEU A 60 1.020 3.343 -8.690 1.00 0.00 C ATOM 905 O LEU A 60 1.412 3.591 -9.829 1.00 0.00 O ATOM 906 CB LEU A 60 2.555 2.858 -6.775 1.00 0.00 C ATOM 907 CG LEU A 60 3.453 3.337 -5.634 1.00 0.00 C ATOM 908 CD1 LEU A 60 3.966 2.155 -4.827 1.00 0.00 C ATOM 909 CD2 LEU A 60 4.613 4.159 -6.176 1.00 0.00 C ATOM 0 H LEU A 60 0.807 4.134 -5.599 1.00 0.00 H new ATOM 0 HA LEU A 60 2.387 4.733 -7.816 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.875 2.102 -6.382 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.180 2.368 -7.521 1.00 0.00 H new ATOM 0 HG LEU A 60 2.862 3.972 -4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.603 2.515 -4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.122 1.608 -4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.541 1.494 -5.475 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.241 4.491 -5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.204 3.548 -6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.226 5.027 -6.709 1.00 0.00 H new ATOM 921 N GLU A 61 -0.025 2.560 -8.437 1.00 0.00 N ATOM 922 CA GLU A 61 -0.786 1.933 -9.511 1.00 0.00 C ATOM 923 C GLU A 61 -1.301 2.979 -10.496 1.00 0.00 C ATOM 924 O GLU A 61 -1.699 2.652 -11.614 1.00 0.00 O ATOM 925 CB GLU A 61 -1.959 1.136 -8.937 1.00 0.00 C ATOM 926 CG GLU A 61 -1.550 -0.195 -8.329 1.00 0.00 C ATOM 927 CD GLU A 61 -2.739 -1.080 -8.010 1.00 0.00 C ATOM 928 OE1 GLU A 61 -3.662 -0.606 -7.314 1.00 0.00 O ATOM 929 OE2 GLU A 61 -2.748 -2.247 -8.456 1.00 0.00 O ATOM 0 H GLU A 61 -0.363 2.345 -7.499 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.121 1.254 -10.044 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.457 1.736 -8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.687 0.956 -9.728 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.888 -0.717 -9.019 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.981 -0.014 -7.417 1.00 0.00 H new ATOM 936 N SER A 62 -1.290 4.239 -10.071 1.00 0.00 N ATOM 937 CA SER A 62 -1.759 5.333 -10.913 1.00 0.00 C ATOM 938 C SER A 62 -0.612 5.924 -11.726 1.00 0.00 C ATOM 939 O SER A 62 -0.823 6.497 -12.795 1.00 0.00 O ATOM 940 CB SER A 62 -2.406 6.422 -10.055 1.00 0.00 C ATOM 941 OG SER A 62 -3.411 7.112 -10.779 1.00 0.00 O ATOM 0 H SER A 62 -0.962 4.527 -9.149 1.00 0.00 H new ATOM 0 HA SER A 62 -2.502 4.935 -11.604 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.840 5.975 -9.161 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.645 7.127 -9.722 1.00 0.00 H new ATOM 0 HG SER A 62 -3.810 7.802 -10.208 1.00 0.00 H new ATOM 947 N LYS A 63 0.605 5.782 -11.211 1.00 0.00 N ATOM 948 CA LYS A 63 1.788 6.299 -11.887 1.00 0.00 C ATOM 949 C LYS A 63 2.398 5.242 -12.802 1.00 0.00 C ATOM 950 O LYS A 63 3.525 5.391 -13.275 1.00 0.00 O ATOM 951 CB LYS A 63 2.826 6.762 -10.861 1.00 0.00 C ATOM 952 CG LYS A 63 2.277 7.745 -9.842 1.00 0.00 C ATOM 953 CD LYS A 63 3.108 7.751 -8.570 1.00 0.00 C ATOM 954 CE LYS A 63 3.083 9.114 -7.895 1.00 0.00 C ATOM 955 NZ LYS A 63 3.482 10.203 -8.829 1.00 0.00 N ATOM 0 H LYS A 63 0.797 5.312 -10.326 1.00 0.00 H new ATOM 0 HA LYS A 63 1.484 7.150 -12.497 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.221 5.891 -10.337 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.662 7.224 -11.386 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.262 8.746 -10.272 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.246 7.485 -9.603 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.728 6.996 -7.882 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.137 7.479 -8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.081 9.312 -7.513 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.755 9.107 -7.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.937 10.970 -8.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.149 9.829 -9.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.639 10.572 -9.313 1.00 0.00 H new ATOM 969 N LYS A 64 1.646 4.175 -13.049 1.00 0.00 N ATOM 970 CA LYS A 64 2.111 3.094 -13.910 1.00 0.00 C ATOM 971 C LYS A 64 3.394 2.476 -13.363 1.00 0.00 C ATOM 972 O LYS A 64 4.196 1.920 -14.114 1.00 0.00 O ATOM 973 CB LYS A 64 2.347 3.611 -15.331 1.00 0.00 C ATOM 974 CG LYS A 64 1.065 3.875 -16.103 1.00 0.00 C ATOM 975 CD LYS A 64 1.242 5.001 -17.108 1.00 0.00 C ATOM 976 CE LYS A 64 0.207 4.923 -18.220 1.00 0.00 C ATOM 977 NZ LYS A 64 -1.066 5.595 -17.842 1.00 0.00 N ATOM 0 H LYS A 64 0.711 4.036 -12.665 1.00 0.00 H new ATOM 0 HA LYS A 64 1.339 2.325 -13.933 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.928 4.532 -15.282 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.948 2.884 -15.878 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.758 2.967 -16.622 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.266 4.129 -15.407 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.159 5.961 -16.599 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.243 4.953 -17.537 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.608 5.386 -19.122 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.009 3.878 -18.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.745 5.520 -18.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.462 5.138 -16.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.882 6.598 -17.639 1.00 0.00 H new ATOM 991 N LEU A 65 3.581 2.576 -12.052 1.00 0.00 N ATOM 992 CA LEU A 65 4.766 2.026 -11.404 1.00 0.00 C ATOM 993 C LEU A 65 4.536 0.576 -10.989 1.00 0.00 C ATOM 994 O LEU A 65 5.462 -0.235 -10.993 1.00 0.00 O ATOM 995 CB LEU A 65 5.139 2.865 -10.181 1.00 0.00 C ATOM 996 CG LEU A 65 5.481 4.331 -10.451 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.580 5.106 -9.147 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.780 4.439 -11.238 1.00 0.00 C ATOM 0 H LEU A 65 2.927 3.033 -11.417 1.00 0.00 H new ATOM 0 HA LEU A 65 5.587 2.054 -12.120 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.309 2.830 -9.475 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.994 2.398 -9.692 1.00 0.00 H new ATOM 0 HG LEU A 65 4.680 4.767 -11.048 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.824 6.147 -9.360 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.626 5.057 -8.621 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.361 4.671 -8.523 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.008 5.489 -11.421 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.590 3.986 -10.667 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.673 3.919 -12.190 1.00 0.00 H new ATOM 1010 N ILE A 66 3.296 0.258 -10.633 1.00 0.00 N ATOM 1011 CA ILE A 66 2.944 -1.095 -10.219 1.00 0.00 C ATOM 1012 C ILE A 66 1.531 -1.456 -10.664 1.00 0.00 C ATOM 1013 O ILE A 66 0.871 -0.684 -11.360 1.00 0.00 O ATOM 1014 CB ILE A 66 3.048 -1.261 -8.692 1.00 0.00 C ATOM 1015 CG1 ILE A 66 1.959 -0.443 -7.993 1.00 0.00 C ATOM 1016 CG2 ILE A 66 4.427 -0.842 -8.206 1.00 0.00 C ATOM 1017 CD1 ILE A 66 1.699 -0.877 -6.568 1.00 0.00 C ATOM 0 H ILE A 66 2.519 0.918 -10.623 1.00 0.00 H new ATOM 0 HA ILE A 66 3.656 -1.767 -10.698 1.00 0.00 H new ATOM 0 HB ILE A 66 2.902 -2.312 -8.445 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.246 0.608 -7.997 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.033 -0.523 -8.563 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.485 -0.965 -7.125 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.185 -1.463 -8.683 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.601 0.203 -8.462 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.916 -0.254 -6.135 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.381 -1.919 -6.557 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.612 -0.771 -5.983 1.00 0.00 H new ATOM 1029 N LYS A 67 1.071 -2.634 -10.256 1.00 0.00 N ATOM 1030 CA LYS A 67 -0.265 -3.098 -10.609 1.00 0.00 C ATOM 1031 C LYS A 67 -0.724 -4.205 -9.665 1.00 0.00 C ATOM 1032 O LYS A 67 0.094 -4.869 -9.029 1.00 0.00 O ATOM 1033 CB LYS A 67 -0.287 -3.603 -12.054 1.00 0.00 C ATOM 1034 CG LYS A 67 0.729 -4.697 -12.331 1.00 0.00 C ATOM 1035 CD LYS A 67 0.358 -5.504 -13.564 1.00 0.00 C ATOM 1036 CE LYS A 67 1.268 -6.711 -13.735 1.00 0.00 C ATOM 1037 NZ LYS A 67 2.471 -6.387 -14.550 1.00 0.00 N ATOM 0 H LYS A 67 1.605 -3.285 -9.680 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.951 -2.257 -10.514 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.284 -3.978 -12.284 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.099 -2.765 -12.726 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.715 -4.253 -12.469 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.796 -5.360 -11.468 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.677 -5.836 -13.485 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.423 -4.870 -14.448 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.580 -7.073 -12.755 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.713 -7.519 -14.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.851 -7.259 -14.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.209 -5.724 -15.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.194 -5.951 -13.943 1.00 0.00 H new ATOM 1051 N ALA A 68 -2.036 -4.399 -9.581 1.00 0.00 N ATOM 1052 CA ALA A 68 -2.602 -5.427 -8.718 1.00 0.00 C ATOM 1053 C ALA A 68 -2.810 -6.731 -9.481 1.00 0.00 C ATOM 1054 O ALA A 68 -3.493 -6.762 -10.504 1.00 0.00 O ATOM 1055 CB ALA A 68 -3.917 -4.949 -8.119 1.00 0.00 C ATOM 0 H ALA A 68 -2.727 -3.857 -10.101 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.895 -5.617 -7.910 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.328 -5.727 -7.476 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.743 -4.048 -7.531 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.623 -4.729 -8.920 1.00 0.00 H new ATOM 1061 N VAL A 69 -2.214 -7.808 -8.976 1.00 0.00 N ATOM 1062 CA VAL A 69 -2.334 -9.115 -9.611 1.00 0.00 C ATOM 1063 C VAL A 69 -2.821 -10.165 -8.618 1.00 0.00 C ATOM 1064 O VAL A 69 -2.514 -10.100 -7.427 1.00 0.00 O ATOM 1065 CB VAL A 69 -0.990 -9.574 -10.208 1.00 0.00 C ATOM 1066 CG1 VAL A 69 -1.105 -10.988 -10.757 1.00 0.00 C ATOM 1067 CG2 VAL A 69 -0.532 -8.609 -11.291 1.00 0.00 C ATOM 0 H VAL A 69 -1.644 -7.800 -8.130 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.064 -9.012 -10.414 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.242 -9.577 -9.415 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.146 -11.295 -11.175 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.386 -11.669 -9.953 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.866 -11.015 -11.537 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.419 -8.948 -11.702 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.278 -8.572 -12.085 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.408 -7.614 -10.863 1.00 0.00 H new ATOM 1223 N VAL A 79 -1.872 -8.875 -4.833 1.00 0.00 N ATOM 1224 CA VAL A 79 -0.424 -8.717 -4.880 1.00 0.00 C ATOM 1225 C VAL A 79 -0.030 -7.510 -5.723 1.00 0.00 C ATOM 1226 O VAL A 79 -0.547 -7.312 -6.823 1.00 0.00 O ATOM 1227 CB VAL A 79 0.260 -9.974 -5.451 1.00 0.00 C ATOM 1228 CG1 VAL A 79 1.773 -9.823 -5.412 1.00 0.00 C ATOM 1229 CG2 VAL A 79 -0.181 -11.213 -4.688 1.00 0.00 C ATOM 0 HA VAL A 79 -0.089 -8.565 -3.854 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.042 -10.090 -6.492 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.239 -10.720 -5.819 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.068 -8.959 -6.007 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.098 -9.681 -4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.312 -12.091 -5.105 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.090 -11.109 -3.637 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.261 -11.328 -4.774 1.00 0.00 H new ATOM 1239 N TYR A 80 0.889 -6.705 -5.201 1.00 0.00 N ATOM 1240 CA TYR A 80 1.352 -5.515 -5.905 1.00 0.00 C ATOM 1241 C TYR A 80 2.789 -5.691 -6.387 1.00 0.00 C ATOM 1242 O TYR A 80 3.718 -5.777 -5.584 1.00 0.00 O ATOM 1243 CB TYR A 80 1.254 -4.289 -4.996 1.00 0.00 C ATOM 1244 CG TYR A 80 -0.167 -3.906 -4.646 1.00 0.00 C ATOM 1245 CD1 TYR A 80 -0.948 -3.174 -5.531 1.00 0.00 C ATOM 1246 CD2 TYR A 80 -0.728 -4.279 -3.431 1.00 0.00 C ATOM 1247 CE1 TYR A 80 -2.246 -2.822 -5.215 1.00 0.00 C ATOM 1248 CE2 TYR A 80 -2.025 -3.933 -3.107 1.00 0.00 C ATOM 1249 CZ TYR A 80 -2.780 -3.204 -4.003 1.00 0.00 C ATOM 1250 OH TYR A 80 -4.073 -2.856 -3.685 1.00 0.00 O ATOM 0 H TYR A 80 1.328 -6.855 -4.293 1.00 0.00 H new ATOM 0 HA TYR A 80 0.712 -5.367 -6.775 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.806 -4.484 -4.076 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.739 -3.444 -5.486 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.534 -2.875 -6.482 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.140 -4.849 -2.728 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.839 -2.251 -5.914 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.446 -4.231 -2.158 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.296 -3.203 -2.796 1.00 0.00 H new ATOM 1260 N MET A 81 2.962 -5.744 -7.703 1.00 0.00 N ATOM 1261 CA MET A 81 4.286 -5.908 -8.293 1.00 0.00 C ATOM 1262 C MET A 81 4.558 -4.821 -9.328 1.00 0.00 C ATOM 1263 O MET A 81 3.690 -3.998 -9.622 1.00 0.00 O ATOM 1264 CB MET A 81 4.411 -7.288 -8.941 1.00 0.00 C ATOM 1265 CG MET A 81 3.726 -7.388 -10.294 1.00 0.00 C ATOM 1266 SD MET A 81 3.928 -9.010 -11.057 1.00 0.00 S ATOM 1267 CE MET A 81 2.849 -10.004 -10.029 1.00 0.00 C ATOM 0 H MET A 81 2.203 -5.676 -8.381 1.00 0.00 H new ATOM 0 HA MET A 81 5.025 -5.820 -7.497 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.467 -7.531 -9.059 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.985 -8.035 -8.271 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.663 -7.176 -10.175 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.131 -6.625 -10.959 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.484 -10.856 -10.602 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.402 -10.361 -9.160 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.004 -9.400 -9.698 1.00 0.00 H new ATOM 1277 N LEU A 82 5.769 -4.822 -9.876 1.00 0.00 N ATOM 1278 CA LEU A 82 6.156 -3.835 -10.878 1.00 0.00 C ATOM 1279 C LEU A 82 5.199 -3.861 -12.066 1.00 0.00 C ATOM 1280 O LEU A 82 4.801 -4.929 -12.532 1.00 0.00 O ATOM 1281 CB LEU A 82 7.586 -4.096 -11.354 1.00 0.00 C ATOM 1282 CG LEU A 82 8.701 -3.588 -10.440 1.00 0.00 C ATOM 1283 CD1 LEU A 82 10.037 -4.197 -10.838 1.00 0.00 C ATOM 1284 CD2 LEU A 82 8.773 -2.069 -10.480 1.00 0.00 C ATOM 0 H LEU A 82 6.499 -5.495 -9.643 1.00 0.00 H new ATOM 0 HA LEU A 82 6.108 -2.848 -10.418 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.713 -5.170 -11.486 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.710 -3.637 -12.335 1.00 0.00 H new ATOM 0 HG LEU A 82 8.475 -3.895 -9.419 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.819 -3.824 -10.176 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.981 -5.283 -10.757 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.270 -3.922 -11.867 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.572 -1.725 -9.823 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.975 -1.741 -11.500 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.824 -1.651 -10.146 1.00 0.00 H new ATOM 1296 N TYR A 83 4.836 -2.680 -12.552 1.00 0.00 N ATOM 1297 CA TYR A 83 3.926 -2.567 -13.686 1.00 0.00 C ATOM 1298 C TYR A 83 4.609 -3.004 -14.978 1.00 0.00 C ATOM 1299 O TYR A 83 3.958 -3.480 -15.907 1.00 0.00 O ATOM 1300 CB TYR A 83 3.424 -1.128 -13.823 1.00 0.00 C ATOM 1301 CG TYR A 83 2.295 -0.973 -14.817 1.00 0.00 C ATOM 1302 CD1 TYR A 83 1.259 -1.897 -14.871 1.00 0.00 C ATOM 1303 CD2 TYR A 83 2.265 0.099 -15.700 1.00 0.00 C ATOM 1304 CE1 TYR A 83 0.227 -1.759 -15.779 1.00 0.00 C ATOM 1305 CE2 TYR A 83 1.235 0.246 -16.610 1.00 0.00 C ATOM 1306 CZ TYR A 83 0.219 -0.686 -16.645 1.00 0.00 C ATOM 1307 OH TYR A 83 -0.809 -0.544 -17.550 1.00 0.00 O ATOM 0 H TYR A 83 5.158 -1.787 -12.179 1.00 0.00 H new ATOM 0 HA TYR A 83 3.077 -3.225 -13.504 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.089 -0.774 -12.848 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.254 -0.490 -14.126 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.260 -2.737 -14.192 1.00 0.00 H new ATOM 0 HD2 TYR A 83 3.060 0.830 -15.675 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -0.569 -2.488 -15.810 1.00 0.00 H new ATOM 0 HE2 TYR A 83 1.226 1.085 -17.289 1.00 0.00 H new ATOM 0 HH TYR A 83 -0.665 0.264 -18.085 1.00 0.00 H new ATOM 1317 N ASN A 84 5.927 -2.839 -15.028 1.00 0.00 N ATOM 1318 CA ASN A 84 6.700 -3.216 -16.206 1.00 0.00 C ATOM 1319 C ASN A 84 6.575 -4.711 -16.483 1.00 0.00 C ATOM 1320 O ASN A 84 6.463 -5.133 -17.635 1.00 0.00 O ATOM 1321 CB ASN A 84 8.172 -2.843 -16.016 1.00 0.00 C ATOM 1322 CG ASN A 84 8.909 -2.711 -17.335 1.00 0.00 C ATOM 1323 OD1 ASN A 84 8.530 -1.914 -18.193 1.00 0.00 O ATOM 1324 ND2 ASN A 84 9.968 -3.494 -17.501 1.00 0.00 N ATOM 0 H ASN A 84 6.482 -2.447 -14.267 1.00 0.00 H new ATOM 0 HA ASN A 84 6.301 -2.671 -17.062 1.00 0.00 H new ATOM 0 HB2 ASN A 84 8.238 -1.902 -15.470 1.00 0.00 H new ATOM 0 HB3 ASN A 84 8.660 -3.601 -15.404 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.504 -3.450 -18.368 1.00 0.00 H new ATOM 0 HD22 ASN A 84 10.246 -4.140 -16.762 1.00 0.00 H new