USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 582 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 72 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 75 GLN : amide:sc= -0.533 K(o=-0.53,f=0) USER MOD Set 2.1: A 25 GLN : amide:sc= 0.371 K(o=-2.2,f=-4.4) USER MOD Set 2.2: A 88 GLN : amide:sc= -2.62 K(o=-2.2,f=-4.6!) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -5.03! C(o=-5!,f=-11!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 82:sc= 1.3 USER MOD Single : A 31 GLN : amide:sc= -4.55! C(o=-4.5!,f=-8.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= -0.0418 (180deg=-0.188) USER MOD Single : A 37 HIS : no HD1:sc= -0.0287 X(o=-0.029,f=-0.037) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.74 USER MOD Single : A 41 SER OG : rot 180:sc=-0.00776 USER MOD Single : A 42 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0108) USER MOD Single : A 44 MET CE :methyl -152:sc= -1 (180deg=-3.39!) USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= -0.0275 (180deg=-0.236) USER MOD Single : A 47 TYR OH : rot 9:sc= 1.07 USER MOD Single : A 48 CYS SG : rot 145:sc= -3.41! USER MOD Single : A 51 GLN : amide:sc= -2.12 K(o=-2.1,f=-5.3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 139:sc= -3.2 (180deg=-5.9!) USER MOD Single : A 57 GLN : amide:sc= -7.74! K(o=-7.7!,f=-1.5) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 68 ASN : amide:sc= -2.89! K(o=-2.9!,f=-0.012) USER MOD Single : A 70 THR OG1 : rot -43:sc= 1.17 USER MOD Single : A 78 MET CE :methyl -172:sc= -1.4 (180deg=-1.53) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -2.914 12.741 8.134 1.00 0.00 N ATOM 243 CA HIS A 17 -2.797 11.342 7.754 1.00 0.00 C ATOM 244 C HIS A 17 -4.113 10.818 7.203 1.00 0.00 C ATOM 245 O HIS A 17 -5.186 11.201 7.661 1.00 0.00 O ATOM 246 CB HIS A 17 -2.328 10.478 8.955 1.00 0.00 C ATOM 247 CG HIS A 17 -3.421 10.086 9.926 1.00 0.00 C ATOM 248 ND1 HIS A 17 -3.853 10.898 10.954 1.00 0.00 N ATOM 249 CD2 HIS A 17 -4.170 8.951 10.012 1.00 0.00 C ATOM 250 CE1 HIS A 17 -4.812 10.286 11.624 1.00 0.00 C ATOM 251 NE2 HIS A 17 -5.022 9.106 11.073 1.00 0.00 N ATOM 0 HA HIS A 17 -2.045 11.271 6.968 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.862 9.571 8.571 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.559 11.026 9.499 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.104 8.089 9.364 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.337 10.685 12.480 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.708 8.420 11.387 1.00 0.00 H new ATOM 260 N ILE A 18 -4.036 9.950 6.226 1.00 0.00 N ATOM 261 CA ILE A 18 -5.222 9.354 5.657 1.00 0.00 C ATOM 262 C ILE A 18 -5.117 7.844 5.701 1.00 0.00 C ATOM 263 O ILE A 18 -4.044 7.285 5.960 1.00 0.00 O ATOM 264 CB ILE A 18 -5.475 9.804 4.200 1.00 0.00 C ATOM 265 CG1 ILE A 18 -4.234 9.574 3.340 1.00 0.00 C ATOM 266 CG2 ILE A 18 -5.909 11.263 4.151 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.482 9.763 1.863 1.00 0.00 C ATOM 0 H ILE A 18 -3.161 9.638 5.805 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.065 9.694 6.259 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.285 9.199 3.793 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.448 10.259 3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.865 8.563 3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.081 11.557 3.116 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.829 11.388 4.722 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.128 11.890 4.581 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.558 9.584 1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.245 9.060 1.529 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.822 10.782 1.679 1.00 0.00 H new ATOM 279 N ASN A 19 -6.214 7.183 5.456 1.00 0.00 N ATOM 280 CA ASN A 19 -6.246 5.743 5.493 1.00 0.00 C ATOM 281 C ASN A 19 -6.351 5.195 4.085 1.00 0.00 C ATOM 282 O ASN A 19 -7.216 5.593 3.326 1.00 0.00 O ATOM 283 CB ASN A 19 -7.430 5.249 6.339 1.00 0.00 C ATOM 284 CG ASN A 19 -7.951 6.302 7.309 1.00 0.00 C ATOM 285 OD1 ASN A 19 -7.374 6.546 8.357 1.00 0.00 O ATOM 286 ND2 ASN A 19 -9.060 6.906 6.970 1.00 0.00 N ATOM 0 H ASN A 19 -7.106 7.621 5.226 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.323 5.386 5.950 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.239 4.942 5.677 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.125 4.366 6.900 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.469 7.606 7.589 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.516 6.678 6.086 1.00 0.00 H new ATOM 293 N LEU A 20 -5.461 4.308 3.727 1.00 0.00 N ATOM 294 CA LEU A 20 -5.473 3.699 2.412 1.00 0.00 C ATOM 295 C LEU A 20 -5.634 2.206 2.552 1.00 0.00 C ATOM 296 O LEU A 20 -4.878 1.552 3.270 1.00 0.00 O ATOM 297 CB LEU A 20 -4.181 4.002 1.630 1.00 0.00 C ATOM 298 CG LEU A 20 -3.930 5.464 1.232 1.00 0.00 C ATOM 299 CD1 LEU A 20 -5.182 6.098 0.645 1.00 0.00 C ATOM 300 CD2 LEU A 20 -3.404 6.271 2.404 1.00 0.00 C ATOM 0 H LEU A 20 -4.707 3.984 4.333 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.310 4.121 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.336 3.665 2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.187 3.400 0.721 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.163 5.468 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.973 7.133 0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.488 5.544 -0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.983 6.072 1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.236 7.301 2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.132 6.252 3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.465 5.840 2.750 1.00 0.00 H new ATOM 312 N LYS A 21 -6.621 1.657 1.897 1.00 0.00 N ATOM 313 CA LYS A 21 -6.850 0.237 1.962 1.00 0.00 C ATOM 314 C LYS A 21 -6.396 -0.439 0.693 1.00 0.00 C ATOM 315 O LYS A 21 -6.609 0.063 -0.401 1.00 0.00 O ATOM 316 CB LYS A 21 -8.314 -0.056 2.234 1.00 0.00 C ATOM 317 CG LYS A 21 -8.684 -1.521 2.096 1.00 0.00 C ATOM 318 CD LYS A 21 -9.997 -1.814 2.766 1.00 0.00 C ATOM 319 CE LYS A 21 -11.111 -0.959 2.183 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.421 -1.239 2.812 1.00 0.00 N ATOM 0 H LYS A 21 -7.280 2.170 1.312 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.262 -0.165 2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.560 0.277 3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.925 0.529 1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.744 -1.786 1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.902 -2.140 2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.243 -2.869 2.646 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.913 -1.627 3.836 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.865 0.095 2.315 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.180 -1.138 1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.149 -0.633 2.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.671 -2.238 2.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.365 -1.043 3.832 1.00 0.00 H new ATOM 334 N VAL A 22 -5.788 -1.585 0.833 1.00 0.00 N ATOM 335 CA VAL A 22 -5.273 -2.309 -0.304 1.00 0.00 C ATOM 336 C VAL A 22 -6.069 -3.578 -0.514 1.00 0.00 C ATOM 337 O VAL A 22 -6.168 -4.416 0.377 1.00 0.00 O ATOM 338 CB VAL A 22 -3.779 -2.657 -0.134 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.240 -3.309 -1.391 1.00 0.00 C ATOM 340 CG2 VAL A 22 -2.975 -1.414 0.211 1.00 0.00 C ATOM 0 H VAL A 22 -5.635 -2.044 1.731 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.370 -1.663 -1.176 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.683 -3.365 0.689 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.185 -3.548 -1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.796 -4.225 -1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.350 -2.624 -2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.924 -1.681 0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.077 -0.681 -0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.346 -0.988 1.143 1.00 0.00 H new ATOM 350 N ALA A 23 -6.627 -3.725 -1.697 1.00 0.00 N ATOM 351 CA ALA A 23 -7.451 -4.868 -2.019 1.00 0.00 C ATOM 352 C ALA A 23 -6.978 -5.526 -3.287 1.00 0.00 C ATOM 353 O ALA A 23 -7.069 -4.966 -4.382 1.00 0.00 O ATOM 354 CB ALA A 23 -8.913 -4.475 -2.140 1.00 0.00 C ATOM 0 H ALA A 23 -6.522 -3.057 -2.460 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.360 -5.583 -1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.508 -5.356 -2.383 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.256 -4.055 -1.195 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.026 -3.732 -2.930 1.00 0.00 H new ATOM 360 N GLY A 24 -6.469 -6.711 -3.149 1.00 0.00 N ATOM 361 CA GLY A 24 -5.982 -7.428 -4.291 1.00 0.00 C ATOM 362 C GLY A 24 -7.024 -8.353 -4.836 1.00 0.00 C ATOM 363 O GLY A 24 -7.833 -8.889 -4.078 1.00 0.00 O ATOM 0 H GLY A 24 -6.379 -7.203 -2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.679 -6.722 -5.064 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.095 -7.998 -4.014 1.00 0.00 H new ATOM 367 N GLN A 25 -7.020 -8.563 -6.150 1.00 0.00 N ATOM 368 CA GLN A 25 -7.993 -9.457 -6.775 1.00 0.00 C ATOM 369 C GLN A 25 -7.868 -10.901 -6.260 1.00 0.00 C ATOM 370 O GLN A 25 -8.712 -11.742 -6.523 1.00 0.00 O ATOM 371 CB GLN A 25 -7.936 -9.401 -8.321 1.00 0.00 C ATOM 372 CG GLN A 25 -6.538 -9.443 -8.959 1.00 0.00 C ATOM 373 CD GLN A 25 -5.645 -10.538 -8.414 1.00 0.00 C ATOM 374 OE1 GLN A 25 -5.724 -11.692 -8.834 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.747 -10.170 -7.517 1.00 0.00 N ATOM 0 H GLN A 25 -6.361 -8.131 -6.798 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.976 -9.092 -6.479 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.515 -10.236 -8.714 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.432 -8.487 -8.648 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.645 -9.578 -10.035 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.050 -8.480 -8.805 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.715 -9.203 -7.195 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.086 -10.853 -7.147 1.00 0.00 H new ATOM 384 N ASP A 26 -6.800 -11.163 -5.519 1.00 0.00 N ATOM 385 CA ASP A 26 -6.553 -12.463 -4.904 1.00 0.00 C ATOM 386 C ASP A 26 -7.492 -12.676 -3.720 1.00 0.00 C ATOM 387 O ASP A 26 -7.660 -13.786 -3.223 1.00 0.00 O ATOM 388 CB ASP A 26 -5.095 -12.528 -4.434 1.00 0.00 C ATOM 389 CG ASP A 26 -4.804 -13.704 -3.522 1.00 0.00 C ATOM 390 OD1 ASP A 26 -4.621 -14.829 -4.025 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.753 -13.502 -2.291 1.00 0.00 O ATOM 0 H ASP A 26 -6.073 -10.474 -5.325 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.737 -13.249 -5.637 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.443 -12.585 -5.306 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.849 -11.604 -3.911 1.00 0.00 H new ATOM 396 N GLY A 27 -8.125 -11.608 -3.292 1.00 0.00 N ATOM 397 CA GLY A 27 -8.990 -11.666 -2.137 1.00 0.00 C ATOM 398 C GLY A 27 -8.321 -11.081 -0.920 1.00 0.00 C ATOM 399 O GLY A 27 -8.969 -10.784 0.086 1.00 0.00 O ATOM 0 H GLY A 27 -8.057 -10.688 -3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.912 -11.123 -2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.267 -12.702 -1.939 1.00 0.00 H new ATOM 403 N SER A 28 -7.016 -10.916 -1.006 1.00 0.00 N ATOM 404 CA SER A 28 -6.243 -10.349 0.073 1.00 0.00 C ATOM 405 C SER A 28 -6.464 -8.848 0.154 1.00 0.00 C ATOM 406 O SER A 28 -6.159 -8.103 -0.785 1.00 0.00 O ATOM 407 CB SER A 28 -4.763 -10.658 -0.125 1.00 0.00 C ATOM 408 OG SER A 28 -4.531 -12.057 -0.109 1.00 0.00 O ATOM 0 H SER A 28 -6.465 -11.172 -1.826 1.00 0.00 H new ATOM 0 HA SER A 28 -6.573 -10.796 1.011 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.424 -10.240 -1.073 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.179 -10.180 0.661 1.00 0.00 H new ATOM 0 HG SER A 28 -4.739 -12.433 -0.990 1.00 0.00 H new ATOM 414 N VAL A 29 -7.017 -8.401 1.258 1.00 0.00 N ATOM 415 CA VAL A 29 -7.281 -6.999 1.450 1.00 0.00 C ATOM 416 C VAL A 29 -7.027 -6.584 2.902 1.00 0.00 C ATOM 417 O VAL A 29 -7.414 -7.277 3.845 1.00 0.00 O ATOM 418 CB VAL A 29 -8.726 -6.635 1.001 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.751 -7.543 1.635 1.00 0.00 C ATOM 420 CG2 VAL A 29 -9.042 -5.180 1.290 1.00 0.00 C ATOM 0 H VAL A 29 -7.293 -8.995 2.040 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.589 -6.439 0.821 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.775 -6.783 -0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.748 -7.258 1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.551 -8.575 1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.696 -7.453 2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.058 -4.957 0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.954 -4.994 2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.341 -4.542 0.752 1.00 0.00 H new ATOM 430 N VAL A 30 -6.374 -5.440 3.071 1.00 0.00 N ATOM 431 CA VAL A 30 -5.989 -4.923 4.388 1.00 0.00 C ATOM 432 C VAL A 30 -6.077 -3.394 4.375 1.00 0.00 C ATOM 433 O VAL A 30 -5.920 -2.769 3.324 1.00 0.00 O ATOM 434 CB VAL A 30 -4.534 -5.344 4.790 1.00 0.00 C ATOM 435 CG1 VAL A 30 -4.214 -4.906 6.214 1.00 0.00 C ATOM 436 CG2 VAL A 30 -4.327 -6.847 4.649 1.00 0.00 C ATOM 0 H VAL A 30 -6.093 -4.838 2.297 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.675 -5.348 5.121 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.852 -4.840 4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.199 -5.210 6.469 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.298 -3.822 6.289 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.916 -5.372 6.905 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.307 -7.102 4.936 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.029 -7.373 5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.497 -7.142 3.614 1.00 0.00 H new ATOM 446 N GLN A 31 -6.335 -2.790 5.523 1.00 0.00 N ATOM 447 CA GLN A 31 -6.450 -1.346 5.613 1.00 0.00 C ATOM 448 C GLN A 31 -5.235 -0.764 6.342 1.00 0.00 C ATOM 449 O GLN A 31 -4.745 -1.344 7.311 1.00 0.00 O ATOM 450 CB GLN A 31 -7.760 -0.965 6.314 1.00 0.00 C ATOM 451 CG GLN A 31 -8.035 0.531 6.364 1.00 0.00 C ATOM 452 CD GLN A 31 -7.426 1.230 7.582 1.00 0.00 C ATOM 453 OE1 GLN A 31 -7.044 2.384 7.509 1.00 0.00 O ATOM 454 NE2 GLN A 31 -7.359 0.538 8.713 1.00 0.00 N ATOM 0 H GLN A 31 -6.469 -3.280 6.408 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.471 -0.923 4.609 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.588 -1.457 5.803 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.739 -1.352 7.333 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.644 0.993 5.458 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.113 0.693 6.365 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.688 -0.427 8.741 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.979 0.972 9.554 1.00 0.00 H new ATOM 463 N PHE A 32 -4.742 0.375 5.868 1.00 0.00 N ATOM 464 CA PHE A 32 -3.547 1.003 6.449 1.00 0.00 C ATOM 465 C PHE A 32 -3.761 2.498 6.651 1.00 0.00 C ATOM 466 O PHE A 32 -4.563 3.119 5.970 1.00 0.00 O ATOM 467 CB PHE A 32 -2.332 0.798 5.529 1.00 0.00 C ATOM 468 CG PHE A 32 -2.115 -0.624 5.115 1.00 0.00 C ATOM 469 CD1 PHE A 32 -2.820 -1.152 4.051 1.00 0.00 C ATOM 470 CD2 PHE A 32 -1.217 -1.433 5.789 1.00 0.00 C ATOM 471 CE1 PHE A 32 -2.642 -2.452 3.665 1.00 0.00 C ATOM 472 CE2 PHE A 32 -1.031 -2.742 5.404 1.00 0.00 C ATOM 473 CZ PHE A 32 -1.745 -3.252 4.341 1.00 0.00 C ATOM 0 H PHE A 32 -5.147 0.887 5.084 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.364 0.531 7.414 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.458 1.410 4.636 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.438 1.158 6.039 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.522 -0.529 3.516 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.658 -1.035 6.623 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.203 -2.851 2.833 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.328 -3.367 5.934 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.602 -4.279 4.037 1.00 0.00 H new ATOM 483 N LYS A 33 -3.026 3.077 7.583 1.00 0.00 N ATOM 484 CA LYS A 33 -3.109 4.503 7.857 1.00 0.00 C ATOM 485 C LYS A 33 -1.729 5.134 7.831 1.00 0.00 C ATOM 486 O LYS A 33 -0.894 4.876 8.701 1.00 0.00 O ATOM 487 CB LYS A 33 -3.779 4.755 9.203 1.00 0.00 C ATOM 488 CG LYS A 33 -5.276 4.580 9.170 1.00 0.00 C ATOM 489 CD LYS A 33 -5.877 4.621 10.554 1.00 0.00 C ATOM 490 CE LYS A 33 -7.357 4.295 10.516 1.00 0.00 C ATOM 491 NZ LYS A 33 -7.970 4.367 11.860 1.00 0.00 N ATOM 0 H LYS A 33 -2.358 2.577 8.169 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.716 4.963 7.077 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.358 4.075 9.943 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.546 5.768 9.532 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.720 5.365 8.558 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.520 3.629 8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.361 3.910 11.199 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.730 5.610 10.988 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.865 4.990 9.847 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.499 3.295 10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.982 4.138 11.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.502 3.686 12.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.857 5.328 12.242 1.00 0.00 H new ATOM 505 N ILE A 34 -1.481 5.957 6.831 1.00 0.00 N ATOM 506 CA ILE A 34 -0.197 6.621 6.685 1.00 0.00 C ATOM 507 C ILE A 34 -0.393 8.114 6.529 1.00 0.00 C ATOM 508 O ILE A 34 -1.521 8.599 6.423 1.00 0.00 O ATOM 509 CB ILE A 34 0.609 6.087 5.468 1.00 0.00 C ATOM 510 CG1 ILE A 34 -0.191 6.249 4.171 1.00 0.00 C ATOM 511 CG2 ILE A 34 1.008 4.630 5.684 1.00 0.00 C ATOM 512 CD1 ILE A 34 0.594 5.909 2.921 1.00 0.00 C ATOM 0 H ILE A 34 -2.157 6.184 6.101 1.00 0.00 H new ATOM 0 HA ILE A 34 0.373 6.407 7.589 1.00 0.00 H new ATOM 0 HB ILE A 34 1.520 6.678 5.377 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.074 5.612 4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.543 7.278 4.099 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.571 4.275 4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.626 4.551 6.578 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.112 4.022 5.807 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.039 6.048 2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.463 6.563 2.848 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.924 4.871 2.969 1.00 0.00 H new ATOM 524 N LYS A 35 0.688 8.850 6.518 1.00 0.00 N ATOM 525 CA LYS A 35 0.617 10.280 6.367 1.00 0.00 C ATOM 526 C LYS A 35 0.391 10.615 4.888 1.00 0.00 C ATOM 527 O LYS A 35 0.876 9.912 4.009 1.00 0.00 O ATOM 528 CB LYS A 35 1.910 10.914 6.895 1.00 0.00 C ATOM 529 CG LYS A 35 1.742 12.310 7.454 1.00 0.00 C ATOM 530 CD LYS A 35 1.787 13.370 6.377 1.00 0.00 C ATOM 531 CE LYS A 35 1.508 14.748 6.944 1.00 0.00 C ATOM 532 NZ LYS A 35 2.447 15.113 8.035 1.00 0.00 N ATOM 0 H LYS A 35 1.634 8.480 6.612 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.215 10.684 6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.323 10.272 7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.641 10.945 6.087 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.792 12.374 7.984 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.528 12.503 8.184 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.766 13.363 5.899 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.054 13.137 5.605 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.578 15.487 6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.486 14.782 7.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.328 16.118 8.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.247 14.532 8.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.425 14.945 7.723 1.00 0.00 H new ATOM 546 N ARG A 36 -0.348 11.686 4.612 1.00 0.00 N ATOM 547 CA ARG A 36 -0.671 12.073 3.227 1.00 0.00 C ATOM 548 C ARG A 36 0.594 12.462 2.428 1.00 0.00 C ATOM 549 O ARG A 36 0.569 12.569 1.203 1.00 0.00 O ATOM 550 CB ARG A 36 -1.703 13.215 3.219 1.00 0.00 C ATOM 551 CG ARG A 36 -2.132 13.655 1.824 1.00 0.00 C ATOM 552 CD ARG A 36 -3.121 14.809 1.873 1.00 0.00 C ATOM 553 NE ARG A 36 -4.453 14.389 2.320 1.00 0.00 N ATOM 554 CZ ARG A 36 -5.307 15.183 2.973 1.00 0.00 C ATOM 555 NH1 ARG A 36 -4.947 16.416 3.314 1.00 0.00 N ATOM 556 NH2 ARG A 36 -6.522 14.744 3.285 1.00 0.00 N ATOM 0 H ARG A 36 -0.738 12.305 5.323 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.107 11.205 2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.585 12.898 3.776 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.285 14.072 3.746 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.254 13.953 1.251 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.583 12.812 1.300 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.742 15.579 2.545 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.199 15.259 0.883 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.746 13.432 2.120 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.016 16.759 3.077 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.602 17.019 3.812 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.805 13.799 3.026 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.172 15.352 3.783 1.00 0.00 H new ATOM 570 N HIS A 37 1.701 12.650 3.119 1.00 0.00 N ATOM 571 CA HIS A 37 2.956 12.996 2.474 1.00 0.00 C ATOM 572 C HIS A 37 3.898 11.786 2.498 1.00 0.00 C ATOM 573 O HIS A 37 5.000 11.812 1.944 1.00 0.00 O ATOM 574 CB HIS A 37 3.597 14.198 3.186 1.00 0.00 C ATOM 575 CG HIS A 37 4.777 14.780 2.471 1.00 0.00 C ATOM 576 ND1 HIS A 37 6.068 14.674 2.934 1.00 0.00 N ATOM 577 CD2 HIS A 37 4.851 15.485 1.319 1.00 0.00 C ATOM 578 CE1 HIS A 37 6.883 15.288 2.102 1.00 0.00 C ATOM 579 NE2 HIS A 37 6.172 15.787 1.112 1.00 0.00 N ATOM 0 H HIS A 37 1.758 12.569 4.134 1.00 0.00 H new ATOM 0 HA HIS A 37 2.768 13.272 1.436 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.843 14.975 3.311 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.907 13.891 4.185 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.024 15.759 0.681 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.954 15.369 2.213 1.00 0.00 H new ATOM 0 HE2 HIS A 37 6.544 16.312 0.321 1.00 0.00 H new ATOM 588 N THR A 38 3.446 10.722 3.135 1.00 0.00 N ATOM 589 CA THR A 38 4.203 9.496 3.262 1.00 0.00 C ATOM 590 C THR A 38 4.031 8.622 2.010 1.00 0.00 C ATOM 591 O THR A 38 2.926 8.463 1.513 1.00 0.00 O ATOM 592 CB THR A 38 3.741 8.726 4.528 1.00 0.00 C ATOM 593 OG1 THR A 38 4.249 9.374 5.701 1.00 0.00 O ATOM 594 CG2 THR A 38 4.190 7.275 4.505 1.00 0.00 C ATOM 0 H THR A 38 2.531 10.687 3.584 1.00 0.00 H new ATOM 0 HA THR A 38 5.260 9.742 3.361 1.00 0.00 H new ATOM 0 HB THR A 38 2.651 8.734 4.542 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.954 8.886 6.498 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.846 6.773 5.409 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.769 6.778 3.631 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.278 7.232 4.458 1.00 0.00 H new ATOM 602 N PRO A 39 5.139 8.057 1.485 1.00 0.00 N ATOM 603 CA PRO A 39 5.108 7.222 0.275 1.00 0.00 C ATOM 604 C PRO A 39 4.295 5.941 0.465 1.00 0.00 C ATOM 605 O PRO A 39 4.289 5.341 1.548 1.00 0.00 O ATOM 606 CB PRO A 39 6.585 6.890 0.025 1.00 0.00 C ATOM 607 CG PRO A 39 7.247 7.076 1.348 1.00 0.00 C ATOM 608 CD PRO A 39 6.498 8.178 2.034 1.00 0.00 C ATOM 0 HA PRO A 39 4.629 7.738 -0.557 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.705 5.869 -0.337 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.016 7.548 -0.729 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.213 6.157 1.934 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.298 7.337 1.225 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.506 8.056 3.117 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.933 9.154 1.819 1.00 0.00 H new ATOM 616 N LEU A 40 3.616 5.517 -0.595 1.00 0.00 N ATOM 617 CA LEU A 40 2.770 4.333 -0.559 1.00 0.00 C ATOM 618 C LEU A 40 3.576 3.063 -0.337 1.00 0.00 C ATOM 619 O LEU A 40 3.023 2.029 0.037 1.00 0.00 O ATOM 620 CB LEU A 40 1.959 4.217 -1.847 1.00 0.00 C ATOM 621 CG LEU A 40 1.107 5.437 -2.203 1.00 0.00 C ATOM 622 CD1 LEU A 40 0.253 5.158 -3.411 1.00 0.00 C ATOM 623 CD2 LEU A 40 0.249 5.868 -1.024 1.00 0.00 C ATOM 0 H LEU A 40 3.637 5.984 -1.501 1.00 0.00 H new ATOM 0 HA LEU A 40 2.091 4.448 0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.645 4.022 -2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.304 3.350 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 40 1.782 6.258 -2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.344 6.039 -3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.892 4.916 -4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.408 4.317 -3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.346 6.737 -1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.414 5.051 -0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.891 6.125 -0.182 1.00 0.00 H new ATOM 635 N SER A 41 4.885 3.137 -0.552 1.00 0.00 N ATOM 636 CA SER A 41 5.766 1.992 -0.407 1.00 0.00 C ATOM 637 C SER A 41 5.617 1.361 0.960 1.00 0.00 C ATOM 638 O SER A 41 5.704 0.140 1.109 1.00 0.00 O ATOM 639 CB SER A 41 7.209 2.421 -0.630 1.00 0.00 C ATOM 640 OG SER A 41 7.542 3.526 0.194 1.00 0.00 O ATOM 0 H SER A 41 5.362 3.994 -0.832 1.00 0.00 H new ATOM 0 HA SER A 41 5.490 1.249 -1.155 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.878 1.587 -0.415 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.356 2.686 -1.677 1.00 0.00 H new ATOM 0 HG SER A 41 8.474 3.783 0.035 1.00 0.00 H new ATOM 646 N LYS A 42 5.376 2.192 1.959 1.00 0.00 N ATOM 647 CA LYS A 42 5.212 1.727 3.317 1.00 0.00 C ATOM 648 C LYS A 42 4.087 0.714 3.417 1.00 0.00 C ATOM 649 O LYS A 42 4.274 -0.387 3.937 1.00 0.00 O ATOM 650 CB LYS A 42 4.958 2.904 4.264 1.00 0.00 C ATOM 651 CG LYS A 42 6.000 4.020 4.169 1.00 0.00 C ATOM 652 CD LYS A 42 7.426 3.473 4.119 1.00 0.00 C ATOM 653 CE LYS A 42 7.751 2.608 5.325 1.00 0.00 C ATOM 654 NZ LYS A 42 7.736 3.378 6.592 1.00 0.00 N ATOM 0 H LYS A 42 5.290 3.202 1.848 1.00 0.00 H new ATOM 0 HA LYS A 42 6.137 1.234 3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.974 3.322 4.051 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.932 2.533 5.288 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.810 4.618 3.277 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.897 4.685 5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.557 2.888 3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.130 4.303 4.069 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.030 1.793 5.389 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.733 2.155 5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.997 2.753 7.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.418 4.161 6.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.783 3.761 6.754 1.00 0.00 H new ATOM 668 N LEU A 43 2.916 1.069 2.905 1.00 0.00 N ATOM 669 CA LEU A 43 1.786 0.159 2.933 1.00 0.00 C ATOM 670 C LEU A 43 1.952 -0.939 1.905 1.00 0.00 C ATOM 671 O LEU A 43 1.503 -2.061 2.110 1.00 0.00 O ATOM 672 CB LEU A 43 0.437 0.899 2.768 1.00 0.00 C ATOM 673 CG LEU A 43 0.217 1.727 1.487 1.00 0.00 C ATOM 674 CD1 LEU A 43 -0.092 0.842 0.284 1.00 0.00 C ATOM 675 CD2 LEU A 43 -0.908 2.705 1.699 1.00 0.00 C ATOM 0 H LEU A 43 2.728 1.972 2.470 1.00 0.00 H new ATOM 0 HA LEU A 43 1.766 -0.306 3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.360 0.158 2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.316 1.566 3.621 1.00 0.00 H new ATOM 0 HG LEU A 43 1.142 2.264 1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.240 1.465 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.740 0.160 0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.997 0.267 0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.059 3.288 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.822 2.162 1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.658 3.374 2.522 1.00 0.00 H new ATOM 687 N MET A 44 2.602 -0.616 0.787 1.00 0.00 N ATOM 688 CA MET A 44 2.833 -1.590 -0.270 1.00 0.00 C ATOM 689 C MET A 44 3.602 -2.781 0.253 1.00 0.00 C ATOM 690 O MET A 44 3.171 -3.925 0.121 1.00 0.00 O ATOM 691 CB MET A 44 3.606 -0.966 -1.423 1.00 0.00 C ATOM 692 CG MET A 44 2.804 -0.023 -2.291 1.00 0.00 C ATOM 693 SD MET A 44 3.760 0.581 -3.690 1.00 0.00 S ATOM 694 CE MET A 44 2.538 1.576 -4.536 1.00 0.00 C ATOM 0 H MET A 44 2.976 0.313 0.594 1.00 0.00 H new ATOM 0 HA MET A 44 1.858 -1.921 -0.628 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.461 -0.425 -1.017 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.003 -1.765 -2.050 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.913 -0.534 -2.654 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.465 0.822 -1.692 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.767 1.606 -5.601 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.549 1.141 -4.389 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.552 2.589 -4.134 1.00 0.00 H new ATOM 704 N LYS A 45 4.743 -2.516 0.871 1.00 0.00 N ATOM 705 CA LYS A 45 5.566 -3.576 1.411 1.00 0.00 C ATOM 706 C LYS A 45 4.849 -4.256 2.569 1.00 0.00 C ATOM 707 O LYS A 45 4.839 -5.475 2.676 1.00 0.00 O ATOM 708 CB LYS A 45 6.915 -3.036 1.900 1.00 0.00 C ATOM 709 CG LYS A 45 7.703 -2.236 0.877 1.00 0.00 C ATOM 710 CD LYS A 45 8.130 -3.090 -0.297 1.00 0.00 C ATOM 711 CE LYS A 45 9.102 -2.344 -1.196 1.00 0.00 C ATOM 712 NZ LYS A 45 10.419 -2.133 -0.537 1.00 0.00 N ATOM 0 H LYS A 45 5.116 -1.576 1.009 1.00 0.00 H new ATOM 0 HA LYS A 45 5.747 -4.297 0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.741 -2.407 2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.526 -3.876 2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.095 -1.405 0.520 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.584 -1.806 1.353 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.597 -4.005 0.067 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.253 -3.386 -0.872 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.244 -2.904 -2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.675 -1.379 -1.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.128 -1.874 -1.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.338 -1.368 0.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.713 -3.009 -0.060 1.00 0.00 H new ATOM 726 N ALA A 46 4.209 -3.447 3.417 1.00 0.00 N ATOM 727 CA ALA A 46 3.522 -3.951 4.606 1.00 0.00 C ATOM 728 C ALA A 46 2.428 -4.934 4.230 1.00 0.00 C ATOM 729 O ALA A 46 2.328 -6.019 4.803 1.00 0.00 O ATOM 730 CB ALA A 46 2.943 -2.805 5.417 1.00 0.00 C ATOM 0 H ALA A 46 4.153 -2.435 3.300 1.00 0.00 H new ATOM 0 HA ALA A 46 4.256 -4.475 5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.436 -3.202 6.297 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.747 -2.139 5.730 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.230 -2.251 4.806 1.00 0.00 H new ATOM 736 N TYR A 47 1.604 -4.552 3.261 1.00 0.00 N ATOM 737 CA TYR A 47 0.528 -5.398 2.769 1.00 0.00 C ATOM 738 C TYR A 47 1.069 -6.740 2.308 1.00 0.00 C ATOM 739 O TYR A 47 0.570 -7.786 2.696 1.00 0.00 O ATOM 740 CB TYR A 47 -0.218 -4.687 1.618 1.00 0.00 C ATOM 741 CG TYR A 47 -1.117 -5.585 0.788 1.00 0.00 C ATOM 742 CD1 TYR A 47 -2.449 -5.786 1.133 1.00 0.00 C ATOM 743 CD2 TYR A 47 -0.630 -6.224 -0.349 1.00 0.00 C ATOM 744 CE1 TYR A 47 -3.267 -6.596 0.370 1.00 0.00 C ATOM 745 CE2 TYR A 47 -1.441 -7.034 -1.114 1.00 0.00 C ATOM 746 CZ TYR A 47 -2.756 -7.219 -0.753 1.00 0.00 C ATOM 747 OH TYR A 47 -3.566 -8.025 -1.519 1.00 0.00 O ATOM 0 H TYR A 47 1.665 -3.646 2.796 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.174 -5.579 3.583 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.821 -3.882 2.038 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.517 -4.224 0.959 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.850 -5.301 2.011 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.401 -6.082 -0.636 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.300 -6.742 0.649 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.046 -7.522 -1.993 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.494 -7.939 -1.216 1.00 0.00 H new ATOM 757 N CYS A 48 2.103 -6.711 1.506 1.00 0.00 N ATOM 758 CA CYS A 48 2.682 -7.923 0.971 1.00 0.00 C ATOM 759 C CYS A 48 3.335 -8.768 2.057 1.00 0.00 C ATOM 760 O CYS A 48 3.270 -9.994 2.022 1.00 0.00 O ATOM 761 CB CYS A 48 3.668 -7.574 -0.114 1.00 0.00 C ATOM 762 SG CYS A 48 2.933 -6.604 -1.427 1.00 0.00 S ATOM 0 H CYS A 48 2.567 -5.854 1.205 1.00 0.00 H new ATOM 0 HA CYS A 48 1.881 -8.527 0.545 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.499 -7.019 0.321 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.081 -8.491 -0.533 1.00 0.00 H new ATOM 0 HG CYS A 48 3.802 -5.746 -1.871 1.00 0.00 H new ATOM 768 N GLU A 49 3.950 -8.120 3.034 1.00 0.00 N ATOM 769 CA GLU A 49 4.571 -8.821 4.143 1.00 0.00 C ATOM 770 C GLU A 49 3.539 -9.601 4.950 1.00 0.00 C ATOM 771 O GLU A 49 3.782 -10.728 5.368 1.00 0.00 O ATOM 772 CB GLU A 49 5.314 -7.838 5.049 1.00 0.00 C ATOM 773 CG GLU A 49 6.557 -7.247 4.418 1.00 0.00 C ATOM 774 CD GLU A 49 7.309 -6.336 5.360 1.00 0.00 C ATOM 775 OE1 GLU A 49 7.803 -6.819 6.393 1.00 0.00 O ATOM 776 OE2 GLU A 49 7.414 -5.125 5.071 1.00 0.00 O ATOM 0 H GLU A 49 4.032 -7.104 3.080 1.00 0.00 H new ATOM 0 HA GLU A 49 5.287 -9.531 3.729 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.637 -7.029 5.324 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.593 -8.348 5.971 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.215 -8.054 4.096 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.276 -6.689 3.525 1.00 0.00 H new ATOM 783 N ARG A 50 2.370 -9.012 5.148 1.00 0.00 N ATOM 784 CA ARG A 50 1.324 -9.648 5.931 1.00 0.00 C ATOM 785 C ARG A 50 0.456 -10.571 5.081 1.00 0.00 C ATOM 786 O ARG A 50 -0.133 -11.518 5.588 1.00 0.00 O ATOM 787 CB ARG A 50 0.464 -8.597 6.640 1.00 0.00 C ATOM 788 CG ARG A 50 -0.088 -7.521 5.723 1.00 0.00 C ATOM 789 CD ARG A 50 -0.720 -6.389 6.507 1.00 0.00 C ATOM 790 NE ARG A 50 0.198 -5.821 7.501 1.00 0.00 N ATOM 791 CZ ARG A 50 -0.187 -5.106 8.567 1.00 0.00 C ATOM 792 NH1 ARG A 50 -1.477 -4.953 8.843 1.00 0.00 N ATOM 793 NH2 ARG A 50 0.724 -4.585 9.380 1.00 0.00 N ATOM 0 H ARG A 50 2.122 -8.095 4.777 1.00 0.00 H new ATOM 0 HA ARG A 50 1.813 -10.266 6.685 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.368 -9.098 7.135 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.060 -8.123 7.420 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.714 -7.128 5.098 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.829 -7.958 5.053 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.037 -5.606 5.819 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.616 -6.754 7.009 1.00 0.00 H new ATOM 0 HE ARG A 50 1.197 -5.981 7.372 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.181 -5.381 8.242 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.763 -4.408 9.656 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.716 -4.729 9.193 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.432 -4.041 10.192 1.00 0.00 H new ATOM 807 N GLN A 51 0.376 -10.307 3.783 1.00 0.00 N ATOM 808 CA GLN A 51 -0.452 -11.122 2.897 1.00 0.00 C ATOM 809 C GLN A 51 0.344 -12.235 2.249 1.00 0.00 C ATOM 810 O GLN A 51 -0.219 -13.127 1.614 1.00 0.00 O ATOM 811 CB GLN A 51 -1.141 -10.262 1.835 1.00 0.00 C ATOM 812 CG GLN A 51 -2.162 -9.301 2.414 1.00 0.00 C ATOM 813 CD GLN A 51 -3.116 -9.987 3.371 1.00 0.00 C ATOM 814 OE1 GLN A 51 -4.176 -10.470 2.980 1.00 0.00 O ATOM 815 NE2 GLN A 51 -2.729 -10.046 4.628 1.00 0.00 N ATOM 0 H GLN A 51 0.869 -9.542 3.321 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.222 -11.583 3.515 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.386 -9.695 1.290 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.633 -10.913 1.113 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.645 -8.495 2.935 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.729 -8.844 1.603 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.840 -9.631 4.908 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.318 -10.507 5.322 1.00 0.00 H new ATOM 824 N GLY A 52 1.651 -12.202 2.424 1.00 0.00 N ATOM 825 CA GLY A 52 2.500 -13.206 1.820 1.00 0.00 C ATOM 826 C GLY A 52 2.609 -13.020 0.321 1.00 0.00 C ATOM 827 O GLY A 52 2.536 -13.978 -0.444 1.00 0.00 O ATOM 0 H GLY A 52 2.143 -11.498 2.974 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.494 -13.158 2.266 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.101 -14.197 2.036 1.00 0.00 H new ATOM 831 N LEU A 53 2.786 -11.786 -0.104 1.00 0.00 N ATOM 832 CA LEU A 53 2.867 -11.467 -1.515 1.00 0.00 C ATOM 833 C LEU A 53 4.229 -10.921 -1.870 1.00 0.00 C ATOM 834 O LEU A 53 4.928 -10.343 -1.033 1.00 0.00 O ATOM 835 CB LEU A 53 1.778 -10.463 -1.911 1.00 0.00 C ATOM 836 CG LEU A 53 0.570 -11.044 -2.648 1.00 0.00 C ATOM 837 CD1 LEU A 53 -0.031 -12.196 -1.877 1.00 0.00 C ATOM 838 CD2 LEU A 53 -0.469 -9.970 -2.888 1.00 0.00 C ATOM 0 H LEU A 53 2.877 -10.980 0.514 1.00 0.00 H new ATOM 0 HA LEU A 53 2.709 -12.390 -2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.424 -9.966 -1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.229 -9.696 -2.541 1.00 0.00 H new ATOM 0 HG LEU A 53 0.911 -11.422 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.888 -12.591 -2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.715 -12.981 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.354 -11.848 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.322 -10.400 -3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.799 -9.563 -1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.035 -9.173 -3.492 1.00 0.00 H new ATOM 850 N SER A 54 4.612 -11.112 -3.104 1.00 0.00 N ATOM 851 CA SER A 54 5.883 -10.628 -3.586 1.00 0.00 C ATOM 852 C SER A 54 5.715 -9.320 -4.347 1.00 0.00 C ATOM 853 O SER A 54 4.969 -9.247 -5.320 1.00 0.00 O ATOM 854 CB SER A 54 6.535 -11.673 -4.476 1.00 0.00 C ATOM 855 OG SER A 54 6.945 -12.805 -3.728 1.00 0.00 O ATOM 0 H SER A 54 4.056 -11.605 -3.803 1.00 0.00 H new ATOM 0 HA SER A 54 6.526 -10.440 -2.726 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.834 -11.982 -5.251 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.397 -11.237 -4.981 1.00 0.00 H new ATOM 0 HG SER A 54 7.359 -13.461 -4.327 1.00 0.00 H new ATOM 861 N MET A 55 6.440 -8.292 -3.914 1.00 0.00 N ATOM 862 CA MET A 55 6.378 -6.955 -4.529 1.00 0.00 C ATOM 863 C MET A 55 6.799 -6.982 -6.001 1.00 0.00 C ATOM 864 O MET A 55 6.456 -6.095 -6.772 1.00 0.00 O ATOM 865 CB MET A 55 7.271 -5.976 -3.751 1.00 0.00 C ATOM 866 CG MET A 55 6.775 -5.667 -2.352 1.00 0.00 C ATOM 867 SD MET A 55 5.222 -4.750 -2.357 1.00 0.00 S ATOM 868 CE MET A 55 5.712 -3.205 -3.111 1.00 0.00 C ATOM 0 H MET A 55 7.088 -8.355 -3.129 1.00 0.00 H new ATOM 0 HA MET A 55 5.341 -6.622 -4.486 1.00 0.00 H new ATOM 0 HB2 MET A 55 8.277 -6.391 -3.685 1.00 0.00 H new ATOM 0 HB3 MET A 55 7.347 -5.045 -4.312 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.641 -6.599 -1.803 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.532 -5.090 -1.821 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.939 -2.878 -3.807 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.847 -2.449 -2.337 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.650 -3.344 -3.649 1.00 0.00 H new ATOM 878 N ARG A 56 7.559 -7.994 -6.385 1.00 0.00 N ATOM 879 CA ARG A 56 8.024 -8.120 -7.766 1.00 0.00 C ATOM 880 C ARG A 56 6.971 -8.805 -8.632 1.00 0.00 C ATOM 881 O ARG A 56 6.841 -8.530 -9.818 1.00 0.00 O ATOM 882 CB ARG A 56 9.341 -8.917 -7.842 1.00 0.00 C ATOM 883 CG ARG A 56 10.440 -8.420 -6.913 1.00 0.00 C ATOM 884 CD ARG A 56 10.400 -9.137 -5.571 1.00 0.00 C ATOM 885 NE ARG A 56 10.792 -10.544 -5.683 1.00 0.00 N ATOM 886 CZ ARG A 56 10.728 -11.430 -4.680 1.00 0.00 C ATOM 887 NH1 ARG A 56 10.295 -11.057 -3.481 1.00 0.00 N ATOM 888 NH2 ARG A 56 11.102 -12.683 -4.881 1.00 0.00 N ATOM 0 H ARG A 56 7.869 -8.742 -5.765 1.00 0.00 H new ATOM 0 HA ARG A 56 8.200 -7.112 -8.141 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.132 -9.961 -7.609 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.710 -8.887 -8.867 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.412 -8.575 -7.381 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.329 -7.347 -6.757 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.065 -8.631 -4.871 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.394 -9.074 -5.157 1.00 0.00 H new ATOM 0 HE ARG A 56 11.137 -10.871 -6.585 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.009 -10.091 -3.320 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.249 -11.736 -2.721 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.439 -12.974 -5.799 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.054 -13.358 -4.118 1.00 0.00 H new ATOM 902 N GLN A 57 6.229 -9.714 -8.017 1.00 0.00 N ATOM 903 CA GLN A 57 5.221 -10.513 -8.710 1.00 0.00 C ATOM 904 C GLN A 57 3.890 -9.784 -8.811 1.00 0.00 C ATOM 905 O GLN A 57 3.049 -10.116 -9.640 1.00 0.00 O ATOM 906 CB GLN A 57 5.013 -11.842 -7.976 1.00 0.00 C ATOM 907 CG GLN A 57 5.970 -12.985 -8.371 1.00 0.00 C ATOM 908 CD GLN A 57 7.317 -12.976 -7.661 1.00 0.00 C ATOM 909 OE1 GLN A 57 7.847 -14.029 -7.317 1.00 0.00 O ATOM 910 NE2 GLN A 57 7.904 -11.823 -7.499 1.00 0.00 N ATOM 0 H GLN A 57 6.307 -9.921 -7.021 1.00 0.00 H new ATOM 0 HA GLN A 57 5.587 -10.694 -9.721 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.113 -11.663 -6.905 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.990 -12.175 -8.149 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.477 -13.936 -8.170 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.143 -12.937 -9.446 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.436 -10.966 -7.796 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.831 -11.778 -7.076 1.00 0.00 H new ATOM 919 N ILE A 58 3.678 -8.807 -7.962 1.00 0.00 N ATOM 920 CA ILE A 58 2.412 -8.092 -7.963 1.00 0.00 C ATOM 921 C ILE A 58 2.576 -6.646 -8.406 1.00 0.00 C ATOM 922 O ILE A 58 3.686 -6.174 -8.643 1.00 0.00 O ATOM 923 CB ILE A 58 1.746 -8.116 -6.573 1.00 0.00 C ATOM 924 CG1 ILE A 58 2.466 -7.170 -5.619 1.00 0.00 C ATOM 925 CG2 ILE A 58 1.750 -9.531 -6.014 1.00 0.00 C ATOM 926 CD1 ILE A 58 1.732 -6.965 -4.325 1.00 0.00 C ATOM 0 H ILE A 58 4.353 -8.487 -7.267 1.00 0.00 H new ATOM 0 HA ILE A 58 1.773 -8.610 -8.678 1.00 0.00 H new ATOM 0 HB ILE A 58 0.714 -7.782 -6.677 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.460 -7.565 -5.407 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.603 -6.206 -6.108 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.277 -9.536 -5.032 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.198 -10.189 -6.685 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.777 -9.884 -5.924 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.297 -6.282 -3.691 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.748 -6.542 -4.528 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.618 -7.922 -3.816 1.00 0.00 H new ATOM 938 N ARG A 59 1.459 -5.938 -8.513 1.00 0.00 N ATOM 939 CA ARG A 59 1.479 -4.541 -8.880 1.00 0.00 C ATOM 940 C ARG A 59 0.318 -3.809 -8.237 1.00 0.00 C ATOM 941 O ARG A 59 -0.797 -4.337 -8.144 1.00 0.00 O ATOM 942 CB ARG A 59 1.437 -4.354 -10.397 1.00 0.00 C ATOM 943 CG ARG A 59 1.692 -2.915 -10.845 1.00 0.00 C ATOM 944 CD ARG A 59 3.112 -2.478 -10.506 1.00 0.00 C ATOM 945 NE ARG A 59 3.340 -1.050 -10.764 1.00 0.00 N ATOM 946 CZ ARG A 59 4.167 -0.579 -11.704 1.00 0.00 C ATOM 947 NH1 ARG A 59 4.734 -1.411 -12.578 1.00 0.00 N ATOM 948 NH2 ARG A 59 4.403 0.727 -11.786 1.00 0.00 N ATOM 0 H ARG A 59 0.526 -6.317 -8.348 1.00 0.00 H new ATOM 0 HA ARG A 59 2.416 -4.121 -8.516 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.181 -5.005 -10.855 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.463 -4.673 -10.767 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.529 -2.831 -11.920 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.978 -2.248 -10.361 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.313 -2.690 -9.456 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.819 -3.067 -11.091 1.00 0.00 H new ATOM 0 HE ARG A 59 2.836 -0.375 -10.190 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.538 -2.411 -12.531 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.364 -1.048 -13.293 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.954 1.368 -11.133 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.033 1.087 -12.502 1.00 0.00 H new ATOM 962 N PHE A 60 0.584 -2.605 -7.781 1.00 0.00 N ATOM 963 CA PHE A 60 -0.416 -1.762 -7.173 1.00 0.00 C ATOM 964 C PHE A 60 -1.021 -0.813 -8.208 1.00 0.00 C ATOM 965 O PHE A 60 -0.302 -0.140 -8.957 1.00 0.00 O ATOM 966 CB PHE A 60 0.201 -0.958 -6.029 1.00 0.00 C ATOM 967 CG PHE A 60 0.262 -1.688 -4.715 1.00 0.00 C ATOM 968 CD1 PHE A 60 0.877 -2.925 -4.613 1.00 0.00 C ATOM 969 CD2 PHE A 60 -0.293 -1.127 -3.582 1.00 0.00 C ATOM 970 CE1 PHE A 60 0.927 -3.589 -3.401 1.00 0.00 C ATOM 971 CE2 PHE A 60 -0.246 -1.783 -2.371 1.00 0.00 C ATOM 972 CZ PHE A 60 0.363 -3.015 -2.278 1.00 0.00 C ATOM 0 H PHE A 60 1.511 -2.181 -7.823 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.209 -2.397 -6.778 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.211 -0.662 -6.313 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.374 -0.042 -5.895 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.322 -3.375 -5.488 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.771 -0.160 -3.646 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.406 -4.555 -3.332 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.687 -1.331 -1.495 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.399 -3.531 -1.330 1.00 0.00 H new ATOM 982 N ARG A 61 -2.329 -0.780 -8.265 1.00 0.00 N ATOM 983 CA ARG A 61 -3.039 0.100 -9.174 1.00 0.00 C ATOM 984 C ARG A 61 -4.121 0.871 -8.434 1.00 0.00 C ATOM 985 O ARG A 61 -4.749 0.356 -7.524 1.00 0.00 O ATOM 986 CB ARG A 61 -3.635 -0.701 -10.335 1.00 0.00 C ATOM 987 CG ARG A 61 -4.478 0.125 -11.291 1.00 0.00 C ATOM 988 CD ARG A 61 -4.870 -0.670 -12.519 1.00 0.00 C ATOM 989 NE ARG A 61 -3.709 -1.024 -13.340 1.00 0.00 N ATOM 990 CZ ARG A 61 -3.766 -1.257 -14.653 1.00 0.00 C ATOM 991 NH1 ARG A 61 -4.926 -1.197 -15.293 1.00 0.00 N ATOM 992 NH2 ARG A 61 -2.666 -1.557 -15.321 1.00 0.00 N ATOM 0 H ARG A 61 -2.936 -1.360 -7.685 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.332 0.820 -9.585 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.824 -1.168 -10.894 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.248 -1.506 -9.930 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.376 0.471 -10.779 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.922 1.012 -11.594 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.387 -1.579 -12.212 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.573 -0.090 -13.117 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.802 -1.097 -12.880 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.779 -0.972 -14.782 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.965 -1.376 -16.296 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.772 -1.611 -14.833 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.711 -1.735 -16.324 1.00 0.00 H new ATOM 1006 N PHE A 62 -4.327 2.109 -8.813 1.00 0.00 N ATOM 1007 CA PHE A 62 -5.313 2.951 -8.171 1.00 0.00 C ATOM 1008 C PHE A 62 -5.854 3.951 -9.173 1.00 0.00 C ATOM 1009 O PHE A 62 -5.096 4.499 -9.963 1.00 0.00 O ATOM 1010 CB PHE A 62 -4.660 3.685 -6.995 1.00 0.00 C ATOM 1011 CG PHE A 62 -5.582 4.582 -6.223 1.00 0.00 C ATOM 1012 CD1 PHE A 62 -6.299 4.093 -5.155 1.00 0.00 C ATOM 1013 CD2 PHE A 62 -5.715 5.921 -6.561 1.00 0.00 C ATOM 1014 CE1 PHE A 62 -7.134 4.915 -4.429 1.00 0.00 C ATOM 1015 CE2 PHE A 62 -6.553 6.750 -5.844 1.00 0.00 C ATOM 1016 CZ PHE A 62 -7.261 6.246 -4.775 1.00 0.00 C ATOM 0 H PHE A 62 -3.819 2.562 -9.572 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.136 2.340 -7.801 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.239 2.947 -6.313 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.829 4.280 -7.373 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.206 3.052 -4.882 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.156 6.319 -7.395 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.688 4.519 -3.591 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.654 7.789 -6.120 1.00 0.00 H new ATOM 0 HZ PHE A 62 -7.915 6.892 -4.208 1.00 0.00 H new ATOM 1026 N ASP A 63 -7.173 4.164 -9.178 1.00 0.00 N ATOM 1027 CA ASP A 63 -7.810 5.150 -10.072 1.00 0.00 C ATOM 1028 C ASP A 63 -7.699 4.715 -11.520 1.00 0.00 C ATOM 1029 O ASP A 63 -7.714 5.529 -12.447 1.00 0.00 O ATOM 1030 CB ASP A 63 -7.188 6.531 -9.895 1.00 0.00 C ATOM 1031 CG ASP A 63 -8.157 7.645 -10.232 1.00 0.00 C ATOM 1032 OD1 ASP A 63 -9.268 7.661 -9.659 1.00 0.00 O ATOM 1033 OD2 ASP A 63 -7.810 8.513 -11.060 1.00 0.00 O ATOM 0 H ASP A 63 -7.827 3.668 -8.573 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.865 5.207 -9.803 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.850 6.646 -8.865 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.307 6.614 -10.531 1.00 0.00 H new ATOM 1038 N GLY A 64 -7.607 3.419 -11.724 1.00 0.00 N ATOM 1039 CA GLY A 64 -7.468 2.887 -13.054 1.00 0.00 C ATOM 1040 C GLY A 64 -6.053 2.986 -13.586 1.00 0.00 C ATOM 1041 O GLY A 64 -5.753 2.472 -14.660 1.00 0.00 O ATOM 0 H GLY A 64 -7.626 2.718 -10.984 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.779 1.842 -13.056 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.141 3.421 -13.725 1.00 0.00 H new ATOM 1045 N GLN A 65 -5.165 3.633 -12.842 1.00 0.00 N ATOM 1046 CA GLN A 65 -3.790 3.775 -13.288 1.00 0.00 C ATOM 1047 C GLN A 65 -2.833 3.063 -12.336 1.00 0.00 C ATOM 1048 O GLN A 65 -3.048 3.045 -11.122 1.00 0.00 O ATOM 1049 CB GLN A 65 -3.407 5.253 -13.423 1.00 0.00 C ATOM 1050 CG GLN A 65 -3.576 6.044 -12.144 1.00 0.00 C ATOM 1051 CD GLN A 65 -2.907 7.400 -12.196 1.00 0.00 C ATOM 1052 OE1 GLN A 65 -2.810 8.026 -13.254 1.00 0.00 O ATOM 1053 NE2 GLN A 65 -2.430 7.852 -11.059 1.00 0.00 N ATOM 0 H GLN A 65 -5.370 4.062 -11.939 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.709 3.309 -14.270 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.369 5.322 -13.748 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.017 5.707 -14.204 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.639 6.177 -11.943 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.163 5.473 -11.313 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.533 7.300 -10.207 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.957 8.755 -11.028 1.00 0.00 H new ATOM 1062 N PRO A 66 -1.785 2.428 -12.872 1.00 0.00 N ATOM 1063 CA PRO A 66 -0.775 1.775 -12.052 1.00 0.00 C ATOM 1064 C PRO A 66 0.023 2.803 -11.254 1.00 0.00 C ATOM 1065 O PRO A 66 0.442 3.833 -11.785 1.00 0.00 O ATOM 1066 CB PRO A 66 0.124 1.062 -13.071 1.00 0.00 C ATOM 1067 CG PRO A 66 -0.096 1.787 -14.355 1.00 0.00 C ATOM 1068 CD PRO A 66 -1.510 2.294 -14.315 1.00 0.00 C ATOM 0 HA PRO A 66 -1.206 1.092 -11.320 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.171 1.102 -12.770 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.141 0.009 -13.162 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.610 2.611 -14.462 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.056 1.124 -15.207 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.610 3.248 -14.833 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.200 1.598 -14.793 1.00 0.00 H new ATOM 1076 N ILE A 67 0.233 2.534 -9.984 1.00 0.00 N ATOM 1077 CA ILE A 67 0.947 3.467 -9.136 1.00 0.00 C ATOM 1078 C ILE A 67 2.362 3.000 -8.859 1.00 0.00 C ATOM 1079 O ILE A 67 2.814 1.967 -9.387 1.00 0.00 O ATOM 1080 CB ILE A 67 0.201 3.768 -7.816 1.00 0.00 C ATOM 1081 CG1 ILE A 67 -0.231 2.478 -7.117 1.00 0.00 C ATOM 1082 CG2 ILE A 67 -0.992 4.674 -8.085 1.00 0.00 C ATOM 1083 CD1 ILE A 67 -0.996 2.705 -5.829 1.00 0.00 C ATOM 0 H ILE A 67 -0.078 1.682 -9.517 1.00 0.00 H new ATOM 0 HA ILE A 67 0.999 4.402 -9.693 1.00 0.00 H new ATOM 0 HB ILE A 67 0.885 4.287 -7.144 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.851 1.897 -7.799 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.654 1.879 -6.902 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.511 4.880 -7.149 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.646 5.611 -8.522 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.675 4.181 -8.777 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.267 1.744 -5.393 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.372 3.258 -5.128 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.900 3.277 -6.039 1.00 0.00 H new ATOM 1095 N ASN A 68 3.069 3.757 -8.052 1.00 0.00 N ATOM 1096 CA ASN A 68 4.463 3.487 -7.784 1.00 0.00 C ATOM 1097 C ASN A 68 4.722 3.466 -6.314 1.00 0.00 C ATOM 1098 O ASN A 68 3.971 4.005 -5.526 1.00 0.00 O ATOM 1099 CB ASN A 68 5.358 4.560 -8.406 1.00 0.00 C ATOM 1100 CG ASN A 68 4.791 5.149 -9.663 1.00 0.00 C ATOM 1101 OD1 ASN A 68 5.021 4.654 -10.764 1.00 0.00 O ATOM 1102 ND2 ASN A 68 4.049 6.211 -9.510 1.00 0.00 N ATOM 0 H ASN A 68 2.697 4.573 -7.565 1.00 0.00 H new ATOM 0 HA ASN A 68 4.692 2.515 -8.221 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.517 5.357 -7.679 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.334 4.127 -8.624 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.633 6.664 -10.324 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.884 6.588 -8.577 1.00 0.00 H new ATOM 1109 N GLU A 69 5.815 2.884 -5.940 1.00 0.00 N ATOM 1110 CA GLU A 69 6.198 2.835 -4.545 1.00 0.00 C ATOM 1111 C GLU A 69 6.549 4.245 -4.059 1.00 0.00 C ATOM 1112 O GLU A 69 6.612 4.520 -2.863 1.00 0.00 O ATOM 1113 CB GLU A 69 7.393 1.896 -4.361 1.00 0.00 C ATOM 1114 CG GLU A 69 8.642 2.340 -5.104 1.00 0.00 C ATOM 1115 CD GLU A 69 9.826 1.443 -4.840 1.00 0.00 C ATOM 1116 OE1 GLU A 69 10.498 1.625 -3.799 1.00 0.00 O ATOM 1117 OE2 GLU A 69 10.098 0.546 -5.669 1.00 0.00 O ATOM 0 H GLU A 69 6.470 2.430 -6.577 1.00 0.00 H new ATOM 0 HA GLU A 69 5.364 2.454 -3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.622 1.819 -3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.115 0.898 -4.701 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.436 2.358 -6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.891 3.360 -4.810 1.00 0.00 H new ATOM 1124 N THR A 70 6.751 5.147 -5.010 1.00 0.00 N ATOM 1125 CA THR A 70 7.153 6.493 -4.711 1.00 0.00 C ATOM 1126 C THR A 70 6.041 7.527 -4.986 1.00 0.00 C ATOM 1127 O THR A 70 6.313 8.733 -5.034 1.00 0.00 O ATOM 1128 CB THR A 70 8.430 6.864 -5.514 1.00 0.00 C ATOM 1129 OG1 THR A 70 8.866 8.191 -5.192 1.00 0.00 O ATOM 1130 CG2 THR A 70 8.176 6.760 -7.014 1.00 0.00 C ATOM 0 H THR A 70 6.638 4.956 -6.005 1.00 0.00 H new ATOM 0 HA THR A 70 7.364 6.526 -3.642 1.00 0.00 H new ATOM 0 HB THR A 70 9.212 6.157 -5.237 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.091 8.790 -5.154 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.084 7.024 -7.556 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.888 5.739 -7.264 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.374 7.442 -7.295 1.00 0.00 H new ATOM 1138 N ASP A 71 4.781 7.106 -5.129 1.00 0.00 N ATOM 1139 CA ASP A 71 3.743 8.094 -5.387 1.00 0.00 C ATOM 1140 C ASP A 71 3.025 8.451 -4.122 1.00 0.00 C ATOM 1141 O ASP A 71 2.258 7.690 -3.583 1.00 0.00 O ATOM 1142 CB ASP A 71 2.760 7.695 -6.502 1.00 0.00 C ATOM 1143 CG ASP A 71 1.706 6.692 -6.140 1.00 0.00 C ATOM 1144 OD1 ASP A 71 1.978 5.494 -6.262 1.00 0.00 O ATOM 1145 OD2 ASP A 71 0.592 7.106 -5.799 1.00 0.00 O ATOM 0 H ASP A 71 4.469 6.136 -5.073 1.00 0.00 H new ATOM 0 HA ASP A 71 4.256 8.979 -5.763 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.263 8.598 -6.858 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.336 7.298 -7.338 1.00 0.00 H new ATOM 1150 N THR A 72 3.375 9.576 -3.576 1.00 0.00 N ATOM 1151 CA THR A 72 2.721 10.047 -2.394 1.00 0.00 C ATOM 1152 C THR A 72 1.224 10.257 -2.621 1.00 0.00 C ATOM 1153 O THR A 72 0.808 10.729 -3.686 1.00 0.00 O ATOM 1154 CB THR A 72 3.363 11.345 -1.856 1.00 0.00 C ATOM 1155 OG1 THR A 72 3.037 12.448 -2.711 1.00 0.00 O ATOM 1156 CG2 THR A 72 4.871 11.204 -1.805 1.00 0.00 C ATOM 0 H THR A 72 4.111 10.186 -3.931 1.00 0.00 H new ATOM 0 HA THR A 72 2.849 9.269 -1.642 1.00 0.00 H new ATOM 0 HB THR A 72 2.976 11.525 -0.853 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.447 13.266 -2.360 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.310 12.126 -1.424 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.137 10.377 -1.147 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.252 11.008 -2.807 1.00 0.00 H new ATOM 1164 N PRO A 73 0.401 9.911 -1.613 1.00 0.00 N ATOM 1165 CA PRO A 73 -1.053 10.049 -1.689 1.00 0.00 C ATOM 1166 C PRO A 73 -1.483 11.479 -2.004 1.00 0.00 C ATOM 1167 O PRO A 73 -2.558 11.713 -2.539 1.00 0.00 O ATOM 1168 CB PRO A 73 -1.543 9.635 -0.292 1.00 0.00 C ATOM 1169 CG PRO A 73 -0.329 9.633 0.569 1.00 0.00 C ATOM 1170 CD PRO A 73 0.824 9.339 -0.334 1.00 0.00 C ATOM 0 HA PRO A 73 -1.471 9.440 -2.490 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.291 10.333 0.085 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.010 8.650 -0.315 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.201 10.596 1.063 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.410 8.881 1.354 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.745 9.797 0.027 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.010 8.268 -0.414 1.00 0.00 H new ATOM 1178 N ALA A 74 -0.636 12.436 -1.684 1.00 0.00 N ATOM 1179 CA ALA A 74 -0.931 13.831 -1.954 1.00 0.00 C ATOM 1180 C ALA A 74 -0.835 14.121 -3.445 1.00 0.00 C ATOM 1181 O ALA A 74 -1.598 14.923 -3.989 1.00 0.00 O ATOM 1182 CB ALA A 74 0.014 14.732 -1.175 1.00 0.00 C ATOM 0 H ALA A 74 0.265 12.274 -1.235 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.952 14.036 -1.631 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.220 15.775 -1.388 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.102 14.545 -0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.042 14.523 -1.470 1.00 0.00 H new ATOM 1188 N GLN A 75 0.089 13.439 -4.107 1.00 0.00 N ATOM 1189 CA GLN A 75 0.325 13.617 -5.532 1.00 0.00 C ATOM 1190 C GLN A 75 -0.868 13.187 -6.363 1.00 0.00 C ATOM 1191 O GLN A 75 -1.407 13.968 -7.148 1.00 0.00 O ATOM 1192 CB GLN A 75 1.558 12.825 -5.951 1.00 0.00 C ATOM 1193 CG GLN A 75 2.854 13.559 -5.721 1.00 0.00 C ATOM 1194 CD GLN A 75 4.077 12.663 -5.837 1.00 0.00 C ATOM 1195 OE1 GLN A 75 5.090 12.897 -5.179 1.00 0.00 O ATOM 1196 NE2 GLN A 75 3.988 11.629 -6.655 1.00 0.00 N ATOM 0 H GLN A 75 0.697 12.746 -3.670 1.00 0.00 H new ATOM 0 HA GLN A 75 0.486 14.680 -5.711 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.580 11.885 -5.400 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.476 12.573 -7.008 1.00 0.00 H new ATOM 0 HG2 GLN A 75 2.937 14.372 -6.442 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.836 14.013 -4.730 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.130 11.469 -7.183 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.777 10.991 -6.758 1.00 0.00 H new ATOM 1205 N LEU A 76 -1.300 11.953 -6.189 1.00 0.00 N ATOM 1206 CA LEU A 76 -2.417 11.445 -6.966 1.00 0.00 C ATOM 1207 C LEU A 76 -3.760 11.809 -6.331 1.00 0.00 C ATOM 1208 O LEU A 76 -4.815 11.371 -6.789 1.00 0.00 O ATOM 1209 CB LEU A 76 -2.311 9.928 -7.213 1.00 0.00 C ATOM 1210 CG LEU A 76 -2.679 8.995 -6.048 1.00 0.00 C ATOM 1211 CD1 LEU A 76 -2.623 7.555 -6.504 1.00 0.00 C ATOM 1212 CD2 LEU A 76 -1.757 9.199 -4.865 1.00 0.00 C ATOM 0 H LEU A 76 -0.901 11.289 -5.525 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.367 11.934 -7.939 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.951 9.679 -8.059 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.287 9.706 -7.512 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.693 9.237 -5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.885 6.900 -5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.328 7.404 -7.321 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.615 7.321 -6.847 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.045 8.524 -4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.730 8.990 -5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.832 10.230 -4.519 1.00 0.00 H new ATOM 1224 N GLU A 77 -3.708 12.628 -5.275 1.00 0.00 N ATOM 1225 CA GLU A 77 -4.909 13.104 -4.578 1.00 0.00 C ATOM 1226 C GLU A 77 -5.721 11.941 -4.001 1.00 0.00 C ATOM 1227 O GLU A 77 -6.929 11.818 -4.226 1.00 0.00 O ATOM 1228 CB GLU A 77 -5.760 13.961 -5.516 1.00 0.00 C ATOM 1229 CG GLU A 77 -5.030 15.189 -6.026 1.00 0.00 C ATOM 1230 CD GLU A 77 -5.818 15.947 -7.058 1.00 0.00 C ATOM 1231 OE1 GLU A 77 -5.778 15.555 -8.246 1.00 0.00 O ATOM 1232 OE2 GLU A 77 -6.472 16.945 -6.697 1.00 0.00 O ATOM 0 H GLU A 77 -2.836 12.979 -4.880 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.592 13.722 -3.738 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.077 13.355 -6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.664 14.274 -4.993 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.808 15.849 -5.187 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.075 14.887 -6.455 1.00 0.00 H new ATOM 1239 N MET A 78 -5.046 11.103 -3.245 1.00 0.00 N ATOM 1240 CA MET A 78 -5.652 9.946 -2.615 1.00 0.00 C ATOM 1241 C MET A 78 -6.497 10.374 -1.435 1.00 0.00 C ATOM 1242 O MET A 78 -6.063 11.179 -0.602 1.00 0.00 O ATOM 1243 CB MET A 78 -4.559 9.006 -2.131 1.00 0.00 C ATOM 1244 CG MET A 78 -4.657 7.598 -2.670 1.00 0.00 C ATOM 1245 SD MET A 78 -3.184 6.637 -2.293 1.00 0.00 S ATOM 1246 CE MET A 78 -3.431 5.220 -3.345 1.00 0.00 C ATOM 0 H MET A 78 -4.051 11.205 -3.047 1.00 0.00 H new ATOM 0 HA MET A 78 -6.286 9.439 -3.342 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.591 9.421 -2.410 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.587 8.967 -1.042 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.531 7.106 -2.245 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.803 7.631 -3.750 1.00 0.00 H new ATOM 0 HE1 MET A 78 -2.676 4.466 -3.122 1.00 0.00 H new ATOM 0 HE2 MET A 78 -4.423 4.804 -3.168 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.345 5.522 -4.389 1.00 0.00 H new ATOM 1256 N GLU A 79 -7.708 9.873 -1.368 1.00 0.00 N ATOM 1257 CA GLU A 79 -8.593 10.170 -0.261 1.00 0.00 C ATOM 1258 C GLU A 79 -8.504 9.094 0.794 1.00 0.00 C ATOM 1259 O GLU A 79 -7.968 8.011 0.553 1.00 0.00 O ATOM 1260 CB GLU A 79 -10.028 10.305 -0.752 1.00 0.00 C ATOM 1261 CG GLU A 79 -10.233 11.467 -1.701 1.00 0.00 C ATOM 1262 CD GLU A 79 -10.074 12.815 -1.016 1.00 0.00 C ATOM 1263 OE1 GLU A 79 -8.982 13.098 -0.475 1.00 0.00 O ATOM 1264 OE2 GLU A 79 -11.039 13.602 -1.023 1.00 0.00 O ATOM 0 H GLU A 79 -8.107 9.253 -2.072 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.282 11.116 0.182 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.321 9.382 -1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.688 10.426 0.107 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.518 11.393 -2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.228 11.402 -2.140 1.00 0.00 H new ATOM 1271 N ASP A 80 -9.026 9.379 1.964 1.00 0.00 N ATOM 1272 CA ASP A 80 -9.009 8.425 3.044 1.00 0.00 C ATOM 1273 C ASP A 80 -10.057 7.358 2.826 1.00 0.00 C ATOM 1274 O ASP A 80 -11.100 7.599 2.217 1.00 0.00 O ATOM 1275 CB ASP A 80 -9.228 9.110 4.393 1.00 0.00 C ATOM 1276 CG ASP A 80 -10.537 9.861 4.466 1.00 0.00 C ATOM 1277 OD1 ASP A 80 -10.686 10.870 3.751 1.00 0.00 O ATOM 1278 OD2 ASP A 80 -11.415 9.450 5.257 1.00 0.00 O ATOM 0 H ASP A 80 -9.469 10.269 2.191 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.025 7.956 3.057 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.200 8.361 5.184 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.407 9.802 4.581 1.00 0.00 H new ATOM 1283 N GLU A 81 -9.749 6.163 3.301 1.00 0.00 N ATOM 1284 CA GLU A 81 -10.616 5.000 3.198 1.00 0.00 C ATOM 1285 C GLU A 81 -10.805 4.563 1.752 1.00 0.00 C ATOM 1286 O GLU A 81 -11.689 3.760 1.443 1.00 0.00 O ATOM 1287 CB GLU A 81 -11.962 5.232 3.889 1.00 0.00 C ATOM 1288 CG GLU A 81 -11.828 5.578 5.363 1.00 0.00 C ATOM 1289 CD GLU A 81 -13.073 5.245 6.151 1.00 0.00 C ATOM 1290 OE1 GLU A 81 -13.311 4.051 6.426 1.00 0.00 O ATOM 1291 OE2 GLU A 81 -13.824 6.172 6.503 1.00 0.00 O ATOM 0 H GLU A 81 -8.869 5.969 3.780 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.116 4.185 3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.490 6.038 3.380 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.574 4.336 3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.980 5.038 5.784 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.611 6.641 5.465 1.00 0.00 H new ATOM 1298 N ASP A 82 -9.957 5.069 0.859 1.00 0.00 N ATOM 1299 CA ASP A 82 -10.026 4.675 -0.533 1.00 0.00 C ATOM 1300 C ASP A 82 -9.324 3.332 -0.705 1.00 0.00 C ATOM 1301 O ASP A 82 -8.612 2.877 0.199 1.00 0.00 O ATOM 1302 CB ASP A 82 -9.414 5.737 -1.448 1.00 0.00 C ATOM 1303 CG ASP A 82 -10.167 5.853 -2.756 1.00 0.00 C ATOM 1304 OD1 ASP A 82 -10.126 4.897 -3.569 1.00 0.00 O ATOM 1305 OD2 ASP A 82 -10.821 6.894 -2.969 1.00 0.00 O ATOM 0 H ASP A 82 -9.225 5.744 1.078 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.073 4.576 -0.821 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.418 6.701 -0.939 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.372 5.487 -1.649 1.00 0.00 H new ATOM 1310 N THR A 83 -9.502 2.690 -1.837 1.00 0.00 N ATOM 1311 CA THR A 83 -8.962 1.358 -2.014 1.00 0.00 C ATOM 1312 C THR A 83 -8.022 1.246 -3.221 1.00 0.00 C ATOM 1313 O THR A 83 -8.264 1.823 -4.280 1.00 0.00 O ATOM 1314 CB THR A 83 -10.103 0.337 -2.154 1.00 0.00 C ATOM 1315 OG1 THR A 83 -11.104 0.602 -1.157 1.00 0.00 O ATOM 1316 CG2 THR A 83 -9.588 -1.080 -1.974 1.00 0.00 C ATOM 0 H THR A 83 -10.009 3.061 -2.640 1.00 0.00 H new ATOM 0 HA THR A 83 -8.371 1.143 -1.124 1.00 0.00 H new ATOM 0 HB THR A 83 -10.529 0.431 -3.153 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.833 -0.047 -1.245 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.414 -1.783 -2.078 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.834 -1.292 -2.732 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.146 -1.183 -0.983 1.00 0.00 H new ATOM 1324 N ILE A 84 -6.951 0.486 -3.040 1.00 0.00 N ATOM 1325 CA ILE A 84 -5.978 0.226 -4.086 1.00 0.00 C ATOM 1326 C ILE A 84 -6.219 -1.166 -4.660 1.00 0.00 C ATOM 1327 O ILE A 84 -6.438 -2.118 -3.916 1.00 0.00 O ATOM 1328 CB ILE A 84 -4.506 0.309 -3.562 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -4.133 1.736 -3.134 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -3.529 -0.190 -4.615 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -4.676 2.149 -1.782 1.00 0.00 C ATOM 0 H ILE A 84 -6.733 0.030 -2.154 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.105 0.993 -4.850 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.441 -0.334 -2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.047 1.824 -3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.498 2.435 -3.887 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.512 -0.123 -4.229 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.757 -1.227 -4.860 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.617 0.422 -5.512 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.364 3.170 -1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.765 2.097 -1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.291 1.478 -1.015 1.00 0.00 H new ATOM 1343 N ASP A 85 -6.178 -1.283 -5.971 1.00 0.00 N ATOM 1344 CA ASP A 85 -6.408 -2.553 -6.644 1.00 0.00 C ATOM 1345 C ASP A 85 -5.082 -3.248 -6.929 1.00 0.00 C ATOM 1346 O ASP A 85 -4.225 -2.716 -7.633 1.00 0.00 O ATOM 1347 CB ASP A 85 -7.172 -2.335 -7.957 1.00 0.00 C ATOM 1348 CG ASP A 85 -8.510 -1.652 -7.756 1.00 0.00 C ATOM 1349 OD1 ASP A 85 -9.480 -2.336 -7.369 1.00 0.00 O ATOM 1350 OD2 ASP A 85 -8.599 -0.419 -7.984 1.00 0.00 O ATOM 0 H ASP A 85 -5.985 -0.505 -6.602 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.007 -3.184 -5.988 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.561 -1.735 -8.631 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.331 -3.298 -8.443 1.00 0.00 H new ATOM 1355 N VAL A 86 -4.895 -4.429 -6.369 1.00 0.00 N ATOM 1356 CA VAL A 86 -3.661 -5.179 -6.571 1.00 0.00 C ATOM 1357 C VAL A 86 -3.867 -6.369 -7.509 1.00 0.00 C ATOM 1358 O VAL A 86 -4.857 -7.105 -7.402 1.00 0.00 O ATOM 1359 CB VAL A 86 -3.069 -5.660 -5.224 1.00 0.00 C ATOM 1360 CG1 VAL A 86 -1.963 -6.677 -5.440 1.00 0.00 C ATOM 1361 CG2 VAL A 86 -2.546 -4.479 -4.441 1.00 0.00 C ATOM 0 H VAL A 86 -5.579 -4.892 -5.771 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.951 -4.498 -7.040 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.864 -6.145 -4.657 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.568 -6.995 -4.475 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.362 -7.541 -5.972 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.164 -6.226 -6.028 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.131 -4.825 -3.494 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.768 -3.977 -5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.361 -3.782 -4.247 1.00 0.00 H new ATOM 1371 N PHE A 87 -2.905 -6.578 -8.405 1.00 0.00 N ATOM 1372 CA PHE A 87 -2.979 -7.651 -9.397 1.00 0.00 C ATOM 1373 C PHE A 87 -1.696 -8.480 -9.365 1.00 0.00 C ATOM 1374 O PHE A 87 -0.631 -7.969 -9.011 1.00 0.00 O ATOM 1375 CB PHE A 87 -3.188 -7.061 -10.801 1.00 0.00 C ATOM 1376 CG PHE A 87 -4.414 -6.200 -10.917 1.00 0.00 C ATOM 1377 CD1 PHE A 87 -4.364 -4.859 -10.573 1.00 0.00 C ATOM 1378 CD2 PHE A 87 -5.615 -6.729 -11.357 1.00 0.00 C ATOM 1379 CE1 PHE A 87 -5.484 -4.066 -10.663 1.00 0.00 C ATOM 1380 CE2 PHE A 87 -6.741 -5.935 -11.451 1.00 0.00 C ATOM 1381 CZ PHE A 87 -6.675 -4.602 -11.103 1.00 0.00 C ATOM 0 H PHE A 87 -2.058 -6.014 -8.465 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.825 -8.295 -9.157 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.313 -6.470 -11.071 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.257 -7.876 -11.521 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.434 -4.431 -10.230 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.672 -7.773 -11.629 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.430 -3.023 -10.389 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.673 -6.358 -11.797 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.555 -3.980 -11.175 1.00 0.00 H new ATOM 1391 N GLN A 88 -1.791 -9.759 -9.711 1.00 0.00 N ATOM 1392 CA GLN A 88 -0.628 -10.646 -9.727 1.00 0.00 C ATOM 1393 C GLN A 88 -0.149 -10.922 -11.150 1.00 0.00 C ATOM 1394 O GLN A 88 -0.842 -11.567 -11.931 1.00 0.00 O ATOM 1395 CB GLN A 88 -0.952 -11.993 -9.058 1.00 0.00 C ATOM 1396 CG GLN A 88 -0.736 -12.047 -7.551 1.00 0.00 C ATOM 1397 CD GLN A 88 -1.744 -11.240 -6.758 1.00 0.00 C ATOM 1398 OE1 GLN A 88 -2.811 -11.730 -6.415 1.00 0.00 O ATOM 1399 NE2 GLN A 88 -1.404 -10.011 -6.440 1.00 0.00 N ATOM 0 H GLN A 88 -2.664 -10.209 -9.986 1.00 0.00 H new ATOM 0 HA GLN A 88 0.159 -10.134 -9.174 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.992 -12.241 -9.267 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.340 -12.766 -9.523 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.779 -13.086 -7.224 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.266 -11.683 -7.324 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.505 -9.636 -6.744 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.039 -9.433 -5.890 1.00 0.00 H new