USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 569 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 68 ASN :FLIP amide:sc= -0.168 F(o=-1.2!,f=-0.12) USER MOD Set 1.2: A 70 THR OG1 : rot -2:sc= 0.0441 USER MOD Set 2.1: A 45 LYS NZ :NH3+ 174:sc= 1.09 (180deg=0) USER MOD Set 2.2: A 48 CYS SG : rot 66:sc= 1.99 USER MOD Set 3.1: A 25 GLN : amide:sc= -0.285 X(o=-1.3,f=-0.87) USER MOD Set 3.2: A 88 GLN : amide:sc= -0.994! X(o=-1.3!,f=-0.87) USER MOD Single : A 17 HIS : no HE2:sc= -1.07 K(o=-1.1,f=-2.9!) USER MOD Single : A 19 ASN : amide:sc= -0.663 K(o=-0.66,f=-2.9!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -171:sc=-0.00104 (180deg=-0.0791) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 38 THR OG1 : rot -160:sc= -1.87! USER MOD Single : A 41 SER OG : rot 180:sc=-0.00507 USER MOD Single : A 44 MET CE :methyl -171:sc=-0.00064 (180deg=-0.016) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN :FLIP amide:sc= -0.0136 F(o=-1.1,f=-0.014) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -129:sc= -0.904 (180deg=-2.8!) USER MOD Single : A 57 GLN : amide:sc= -0.336 X(o=-0.34,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 1.16 K(o=1.2,f=-0.048) USER MOD Single : A 78 MET CE :methyl -111:sc= -2.74! (180deg=-3.65!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -6.348 11.307 9.721 1.00 0.00 N ATOM 243 CA HIS A 17 -5.929 10.379 8.717 1.00 0.00 C ATOM 244 C HIS A 17 -7.108 9.495 8.344 1.00 0.00 C ATOM 245 O HIS A 17 -8.208 9.665 8.864 1.00 0.00 O ATOM 246 CB HIS A 17 -4.775 9.518 9.260 1.00 0.00 C ATOM 247 CG HIS A 17 -5.145 8.664 10.442 1.00 0.00 C ATOM 248 ND1 HIS A 17 -5.422 9.173 11.687 1.00 0.00 N ATOM 249 CD2 HIS A 17 -5.305 7.333 10.543 1.00 0.00 C ATOM 250 CE1 HIS A 17 -5.737 8.194 12.502 1.00 0.00 C ATOM 251 NE2 HIS A 17 -5.678 7.058 11.834 1.00 0.00 N ATOM 0 HA HIS A 17 -5.581 10.916 7.834 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.410 8.873 8.460 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.950 10.172 9.543 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -5.388 10.161 11.940 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.165 6.612 9.752 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.000 8.300 13.544 1.00 0.00 H new ATOM 260 N ILE A 18 -6.889 8.556 7.463 1.00 0.00 N ATOM 261 CA ILE A 18 -7.940 7.628 7.071 1.00 0.00 C ATOM 262 C ILE A 18 -7.452 6.195 7.130 1.00 0.00 C ATOM 263 O ILE A 18 -6.265 5.930 7.320 1.00 0.00 O ATOM 264 CB ILE A 18 -8.513 7.908 5.663 1.00 0.00 C ATOM 265 CG1 ILE A 18 -7.408 7.867 4.596 1.00 0.00 C ATOM 266 CG2 ILE A 18 -9.252 9.242 5.637 1.00 0.00 C ATOM 267 CD1 ILE A 18 -7.931 7.889 3.174 1.00 0.00 C ATOM 0 H ILE A 18 -5.994 8.405 6.997 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.744 7.780 7.791 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.228 7.120 5.427 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.743 8.718 4.742 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.810 6.967 4.740 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.647 9.420 4.637 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -10.074 9.217 6.353 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.564 10.044 5.903 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.093 7.858 2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.573 7.023 3.009 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.504 8.802 3.011 1.00 0.00 H new ATOM 279 N ASN A 19 -8.370 5.271 7.003 1.00 0.00 N ATOM 280 CA ASN A 19 -8.040 3.861 7.014 1.00 0.00 C ATOM 281 C ASN A 19 -7.999 3.345 5.593 1.00 0.00 C ATOM 282 O ASN A 19 -8.731 3.816 4.743 1.00 0.00 O ATOM 283 CB ASN A 19 -9.081 3.072 7.811 1.00 0.00 C ATOM 284 CG ASN A 19 -9.296 3.629 9.199 1.00 0.00 C ATOM 285 OD1 ASN A 19 -8.611 3.249 10.144 1.00 0.00 O ATOM 286 ND2 ASN A 19 -10.255 4.529 9.330 1.00 0.00 N ATOM 0 H ASN A 19 -9.364 5.469 6.889 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.066 3.732 7.485 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.028 3.078 7.271 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.764 2.032 7.886 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.450 4.937 10.244 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.800 4.816 8.517 1.00 0.00 H new ATOM 293 N LEU A 20 -7.128 2.417 5.325 1.00 0.00 N ATOM 294 CA LEU A 20 -7.037 1.811 4.006 1.00 0.00 C ATOM 295 C LEU A 20 -6.973 0.306 4.110 1.00 0.00 C ATOM 296 O LEU A 20 -6.698 -0.252 5.175 1.00 0.00 O ATOM 297 CB LEU A 20 -5.818 2.335 3.238 1.00 0.00 C ATOM 298 CG LEU A 20 -6.091 3.441 2.205 1.00 0.00 C ATOM 299 CD1 LEU A 20 -7.241 3.055 1.289 1.00 0.00 C ATOM 300 CD2 LEU A 20 -6.371 4.766 2.884 1.00 0.00 C ATOM 0 H LEU A 20 -6.459 2.052 6.003 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.936 2.087 3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.094 2.712 3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.349 1.495 2.725 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.194 3.557 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.415 3.853 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.992 2.135 0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.142 2.899 1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.560 5.529 2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.245 4.667 3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.509 5.056 3.485 1.00 0.00 H new ATOM 312 N LYS A 21 -7.248 -0.355 3.011 1.00 0.00 N ATOM 313 CA LYS A 21 -7.201 -1.795 2.945 1.00 0.00 C ATOM 314 C LYS A 21 -6.460 -2.229 1.711 1.00 0.00 C ATOM 315 O LYS A 21 -6.503 -1.564 0.682 1.00 0.00 O ATOM 316 CB LYS A 21 -8.602 -2.370 2.902 1.00 0.00 C ATOM 317 CG LYS A 21 -9.400 -2.145 4.159 1.00 0.00 C ATOM 318 CD LYS A 21 -10.867 -2.488 3.956 1.00 0.00 C ATOM 319 CE LYS A 21 -11.058 -3.945 3.566 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.478 -4.262 3.269 1.00 0.00 N ATOM 0 H LYS A 21 -7.512 0.093 2.134 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.687 -2.160 3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.138 -1.930 2.061 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.537 -3.442 2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.991 -2.754 4.965 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.308 -1.104 4.468 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.419 -2.282 4.873 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.286 -1.846 3.181 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.446 -4.169 2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.705 -4.585 4.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.562 -5.265 3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.059 -4.073 4.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.808 -3.670 2.480 1.00 0.00 H new ATOM 334 N VAL A 22 -5.787 -3.340 1.800 1.00 0.00 N ATOM 335 CA VAL A 22 -5.072 -3.879 0.664 1.00 0.00 C ATOM 336 C VAL A 22 -5.444 -5.329 0.451 1.00 0.00 C ATOM 337 O VAL A 22 -5.225 -6.179 1.322 1.00 0.00 O ATOM 338 CB VAL A 22 -3.539 -3.758 0.820 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.843 -4.463 -0.314 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.115 -2.301 0.852 1.00 0.00 C ATOM 0 H VAL A 22 -5.714 -3.898 2.651 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.365 -3.288 -0.204 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.256 -4.226 1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.764 -4.370 -0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.119 -5.517 -0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.141 -4.012 -1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.032 -2.239 0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.413 -1.815 -0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.594 -1.801 1.694 1.00 0.00 H new ATOM 350 N ALA A 23 -6.023 -5.609 -0.696 1.00 0.00 N ATOM 351 CA ALA A 23 -6.430 -6.943 -1.044 1.00 0.00 C ATOM 352 C ALA A 23 -5.304 -7.655 -1.751 1.00 0.00 C ATOM 353 O ALA A 23 -4.772 -7.175 -2.748 1.00 0.00 O ATOM 354 CB ALA A 23 -7.672 -6.906 -1.919 1.00 0.00 C ATOM 0 H ALA A 23 -6.223 -4.912 -1.413 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.671 -7.489 -0.132 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.968 -7.924 -2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.483 -6.417 -1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.457 -6.351 -2.832 1.00 0.00 H new ATOM 360 N GLY A 24 -4.932 -8.792 -1.235 1.00 0.00 N ATOM 361 CA GLY A 24 -3.878 -9.542 -1.828 1.00 0.00 C ATOM 362 C GLY A 24 -4.412 -10.504 -2.856 1.00 0.00 C ATOM 363 O GLY A 24 -5.589 -10.865 -2.823 1.00 0.00 O ATOM 0 H GLY A 24 -5.347 -9.214 -0.405 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.163 -8.865 -2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.339 -10.091 -1.056 1.00 0.00 H new ATOM 367 N GLN A 25 -3.553 -10.947 -3.757 1.00 0.00 N ATOM 368 CA GLN A 25 -3.949 -11.887 -4.809 1.00 0.00 C ATOM 369 C GLN A 25 -4.402 -13.224 -4.213 1.00 0.00 C ATOM 370 O GLN A 25 -5.024 -14.043 -4.878 1.00 0.00 O ATOM 371 CB GLN A 25 -2.804 -12.073 -5.823 1.00 0.00 C ATOM 372 CG GLN A 25 -1.462 -12.453 -5.205 1.00 0.00 C ATOM 373 CD GLN A 25 -1.369 -13.920 -4.817 1.00 0.00 C ATOM 374 OE1 GLN A 25 -1.932 -14.787 -5.475 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.683 -14.197 -3.727 1.00 0.00 N ATOM 0 H GLN A 25 -2.571 -10.674 -3.787 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.802 -11.469 -5.343 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.091 -12.844 -6.538 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.681 -11.147 -6.385 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.666 -12.221 -5.913 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.291 -11.839 -4.320 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.228 -13.447 -3.206 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.607 -15.161 -3.404 1.00 0.00 H new ATOM 384 N ASP A 26 -4.085 -13.426 -2.938 1.00 0.00 N ATOM 385 CA ASP A 26 -4.491 -14.621 -2.211 1.00 0.00 C ATOM 386 C ASP A 26 -5.994 -14.593 -1.941 1.00 0.00 C ATOM 387 O ASP A 26 -6.620 -15.626 -1.696 1.00 0.00 O ATOM 388 CB ASP A 26 -3.718 -14.718 -0.885 1.00 0.00 C ATOM 389 CG ASP A 26 -4.182 -15.871 -0.011 1.00 0.00 C ATOM 390 OD1 ASP A 26 -3.822 -17.031 -0.305 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.906 -15.619 0.978 1.00 0.00 O ATOM 0 H ASP A 26 -3.541 -12.767 -2.382 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.262 -15.496 -2.820 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.655 -14.835 -1.098 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.832 -13.784 -0.335 1.00 0.00 H new ATOM 396 N GLY A 27 -6.586 -13.408 -2.021 1.00 0.00 N ATOM 397 CA GLY A 27 -8.008 -13.270 -1.758 1.00 0.00 C ATOM 398 C GLY A 27 -8.291 -12.717 -0.377 1.00 0.00 C ATOM 399 O GLY A 27 -9.441 -12.636 0.049 1.00 0.00 O ATOM 0 H GLY A 27 -6.108 -12.540 -2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.451 -12.613 -2.507 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.490 -14.242 -1.862 1.00 0.00 H new ATOM 403 N SER A 28 -7.247 -12.330 0.319 1.00 0.00 N ATOM 404 CA SER A 28 -7.378 -11.801 1.652 1.00 0.00 C ATOM 405 C SER A 28 -7.127 -10.320 1.624 1.00 0.00 C ATOM 406 O SER A 28 -6.571 -9.795 0.664 1.00 0.00 O ATOM 407 CB SER A 28 -6.400 -12.497 2.602 1.00 0.00 C ATOM 408 OG SER A 28 -6.652 -12.145 3.956 1.00 0.00 O ATOM 0 H SER A 28 -6.287 -12.374 -0.024 1.00 0.00 H new ATOM 0 HA SER A 28 -8.388 -11.986 2.017 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.483 -13.577 2.484 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.378 -12.225 2.338 1.00 0.00 H new ATOM 0 HG SER A 28 -6.013 -12.606 4.538 1.00 0.00 H new ATOM 414 N VAL A 29 -7.519 -9.637 2.660 1.00 0.00 N ATOM 415 CA VAL A 29 -7.351 -8.217 2.709 1.00 0.00 C ATOM 416 C VAL A 29 -6.901 -7.781 4.093 1.00 0.00 C ATOM 417 O VAL A 29 -7.302 -8.362 5.103 1.00 0.00 O ATOM 418 CB VAL A 29 -8.661 -7.486 2.315 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.752 -7.689 3.365 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.413 -6.008 2.075 1.00 0.00 C ATOM 0 H VAL A 29 -7.959 -10.044 3.485 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.580 -7.946 1.988 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.011 -7.927 1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.656 -7.163 3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.967 -8.753 3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.412 -7.296 4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.349 -5.522 1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.021 -5.553 2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.691 -5.887 1.268 1.00 0.00 H new ATOM 430 N VAL A 30 -6.045 -6.788 4.152 1.00 0.00 N ATOM 431 CA VAL A 30 -5.585 -6.286 5.419 1.00 0.00 C ATOM 432 C VAL A 30 -6.111 -4.871 5.647 1.00 0.00 C ATOM 433 O VAL A 30 -6.270 -4.098 4.698 1.00 0.00 O ATOM 434 CB VAL A 30 -4.038 -6.301 5.514 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.413 -5.183 4.689 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.603 -6.229 6.959 1.00 0.00 C ATOM 0 H VAL A 30 -5.655 -6.314 3.337 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.972 -6.945 6.196 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.682 -7.241 5.094 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.328 -5.226 4.781 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.694 -5.302 3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.770 -4.219 5.053 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.514 -6.240 7.012 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.979 -5.309 7.407 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.002 -7.086 7.502 1.00 0.00 H new ATOM 446 N GLN A 31 -6.412 -4.535 6.892 1.00 0.00 N ATOM 447 CA GLN A 31 -6.911 -3.220 7.228 1.00 0.00 C ATOM 448 C GLN A 31 -5.881 -2.466 8.071 1.00 0.00 C ATOM 449 O GLN A 31 -5.338 -2.996 9.047 1.00 0.00 O ATOM 450 CB GLN A 31 -8.226 -3.355 7.972 1.00 0.00 C ATOM 451 CG GLN A 31 -9.112 -4.436 7.378 1.00 0.00 C ATOM 452 CD GLN A 31 -10.496 -4.446 7.942 1.00 0.00 C ATOM 453 OE1 GLN A 31 -11.377 -3.724 7.307 1.00 0.00 O flip ATOM 454 NE2 GLN A 31 -10.771 -5.109 8.935 1.00 0.00 N flip ATOM 0 H GLN A 31 -6.317 -5.164 7.689 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.082 -2.650 6.315 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.027 -3.585 9.019 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.754 -2.402 7.949 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.169 -4.296 6.298 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.651 -5.408 7.550 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.047 -5.658 9.398 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.724 -5.112 9.299 1.00 0.00 H new ATOM 463 N PHE A 32 -5.605 -1.246 7.681 1.00 0.00 N ATOM 464 CA PHE A 32 -4.583 -0.429 8.326 1.00 0.00 C ATOM 465 C PHE A 32 -4.899 1.052 8.195 1.00 0.00 C ATOM 466 O PHE A 32 -5.794 1.445 7.460 1.00 0.00 O ATOM 467 CB PHE A 32 -3.206 -0.725 7.726 1.00 0.00 C ATOM 468 CG PHE A 32 -3.152 -0.523 6.241 1.00 0.00 C ATOM 469 CD1 PHE A 32 -3.776 -1.416 5.386 1.00 0.00 C ATOM 470 CD2 PHE A 32 -2.497 0.565 5.702 1.00 0.00 C ATOM 471 CE1 PHE A 32 -3.749 -1.229 4.031 1.00 0.00 C ATOM 472 CE2 PHE A 32 -2.465 0.759 4.349 1.00 0.00 C ATOM 473 CZ PHE A 32 -3.093 -0.137 3.508 1.00 0.00 C ATOM 0 H PHE A 32 -6.079 -0.782 6.906 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.573 -0.683 9.386 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.464 -0.082 8.201 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.930 -1.754 7.956 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.291 -2.272 5.795 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.005 1.270 6.355 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.239 -1.934 3.375 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.948 1.614 3.938 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.070 0.018 2.439 1.00 0.00 H new ATOM 483 N LYS A 33 -4.172 1.874 8.923 1.00 0.00 N ATOM 484 CA LYS A 33 -4.408 3.305 8.919 1.00 0.00 C ATOM 485 C LYS A 33 -3.247 4.051 8.260 1.00 0.00 C ATOM 486 O LYS A 33 -2.093 3.657 8.391 1.00 0.00 O ATOM 487 CB LYS A 33 -4.596 3.789 10.351 1.00 0.00 C ATOM 488 CG LYS A 33 -5.514 2.898 11.168 1.00 0.00 C ATOM 489 CD LYS A 33 -5.868 3.522 12.510 1.00 0.00 C ATOM 490 CE LYS A 33 -4.652 3.637 13.418 1.00 0.00 C ATOM 491 NZ LYS A 33 -4.166 2.309 13.876 1.00 0.00 N ATOM 0 H LYS A 33 -3.408 1.574 9.529 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.309 3.509 8.341 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.623 3.843 10.840 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.002 4.801 10.335 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.428 2.706 10.605 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.032 1.934 11.332 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.296 4.511 12.349 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.632 2.920 13.001 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.851 4.152 12.887 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.904 4.248 14.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.438 2.439 14.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.960 1.766 14.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.759 1.792 13.071 1.00 0.00 H new ATOM 505 N ILE A 34 -3.557 5.121 7.534 1.00 0.00 N ATOM 506 CA ILE A 34 -2.537 5.944 6.890 1.00 0.00 C ATOM 507 C ILE A 34 -3.020 7.399 6.773 1.00 0.00 C ATOM 508 O ILE A 34 -4.221 7.665 6.667 1.00 0.00 O ATOM 509 CB ILE A 34 -2.148 5.389 5.487 1.00 0.00 C ATOM 510 CG1 ILE A 34 -1.059 6.258 4.838 1.00 0.00 C ATOM 511 CG2 ILE A 34 -3.371 5.304 4.588 1.00 0.00 C ATOM 512 CD1 ILE A 34 -0.477 5.676 3.568 1.00 0.00 C ATOM 0 H ILE A 34 -4.513 5.440 7.376 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.645 5.913 7.516 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.747 4.384 5.618 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.477 7.240 4.616 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.254 6.410 5.557 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.079 4.914 3.613 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.108 4.640 5.039 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.804 6.297 4.467 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.284 6.350 3.174 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.026 4.708 3.785 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.269 5.551 2.829 1.00 0.00 H new ATOM 524 N LYS A 35 -2.098 8.348 6.818 1.00 0.00 N ATOM 525 CA LYS A 35 -2.458 9.753 6.738 1.00 0.00 C ATOM 526 C LYS A 35 -2.537 10.203 5.301 1.00 0.00 C ATOM 527 O LYS A 35 -1.940 9.600 4.418 1.00 0.00 O ATOM 528 CB LYS A 35 -1.460 10.611 7.497 1.00 0.00 C ATOM 529 CG LYS A 35 -1.082 10.033 8.844 1.00 0.00 C ATOM 530 CD LYS A 35 -0.493 11.089 9.768 1.00 0.00 C ATOM 531 CE LYS A 35 0.817 11.632 9.225 1.00 0.00 C ATOM 532 NZ LYS A 35 1.393 12.671 10.102 1.00 0.00 N ATOM 0 H LYS A 35 -1.098 8.171 6.909 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.439 9.873 7.197 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.560 10.730 6.894 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.881 11.606 7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.963 9.593 9.311 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.360 9.229 8.704 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.205 11.906 9.890 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.329 10.659 10.756 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.530 10.815 9.115 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.653 12.048 8.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.286 13.014 9.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.725 13.463 10.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.575 12.269 11.044 1.00 0.00 H new ATOM 546 N ARG A 36 -3.266 11.279 5.064 1.00 0.00 N ATOM 547 CA ARG A 36 -3.462 11.800 3.718 1.00 0.00 C ATOM 548 C ARG A 36 -2.140 12.270 3.122 1.00 0.00 C ATOM 549 O ARG A 36 -1.856 12.047 1.952 1.00 0.00 O ATOM 550 CB ARG A 36 -4.464 12.967 3.731 1.00 0.00 C ATOM 551 CG ARG A 36 -5.691 12.750 4.618 1.00 0.00 C ATOM 552 CD ARG A 36 -6.358 11.402 4.367 1.00 0.00 C ATOM 553 NE ARG A 36 -6.712 11.202 2.963 1.00 0.00 N ATOM 554 CZ ARG A 36 -7.946 11.339 2.469 1.00 0.00 C ATOM 555 NH1 ARG A 36 -8.938 11.737 3.254 1.00 0.00 N ATOM 556 NH2 ARG A 36 -8.181 11.086 1.187 1.00 0.00 N ATOM 0 H ARG A 36 -3.737 11.815 5.793 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.860 10.994 3.102 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.947 13.867 4.064 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.799 13.151 2.710 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.396 12.817 5.665 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.412 13.548 4.439 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.687 10.604 4.686 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.257 11.326 4.979 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.967 10.940 2.317 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.760 11.939 4.238 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.879 11.841 2.874 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.419 10.787 0.578 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.123 11.191 0.811 1.00 0.00 H new ATOM 570 N HIS A 37 -1.325 12.910 3.948 1.00 0.00 N ATOM 571 CA HIS A 37 -0.030 13.439 3.514 1.00 0.00 C ATOM 572 C HIS A 37 1.073 12.412 3.706 1.00 0.00 C ATOM 573 O HIS A 37 2.254 12.708 3.539 1.00 0.00 O ATOM 574 CB HIS A 37 0.312 14.714 4.286 1.00 0.00 C ATOM 575 CG HIS A 37 -0.455 15.926 3.839 1.00 0.00 C ATOM 576 ND1 HIS A 37 0.151 17.068 3.375 1.00 0.00 N ATOM 577 CD2 HIS A 37 -1.786 16.174 3.796 1.00 0.00 C ATOM 578 CE1 HIS A 37 -0.764 17.962 3.069 1.00 0.00 C ATOM 579 NE2 HIS A 37 -1.949 17.445 3.312 1.00 0.00 N ATOM 0 H HIS A 37 -1.536 13.079 4.932 1.00 0.00 H new ATOM 0 HA HIS A 37 -0.105 13.672 2.452 1.00 0.00 H new ATOM 0 HB2 HIS A 37 0.120 14.547 5.346 1.00 0.00 H new ATOM 0 HB3 HIS A 37 1.379 14.914 4.182 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -2.573 15.495 4.089 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.574 18.953 2.683 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.843 17.914 3.164 1.00 0.00 H new ATOM 588 N THR A 38 0.693 11.212 4.059 1.00 0.00 N ATOM 589 CA THR A 38 1.635 10.155 4.277 1.00 0.00 C ATOM 590 C THR A 38 1.823 9.326 3.010 1.00 0.00 C ATOM 591 O THR A 38 0.851 8.904 2.387 1.00 0.00 O ATOM 592 CB THR A 38 1.206 9.265 5.461 1.00 0.00 C ATOM 593 OG1 THR A 38 1.383 9.988 6.680 1.00 0.00 O ATOM 594 CG2 THR A 38 2.017 7.986 5.506 1.00 0.00 C ATOM 0 H THR A 38 -0.280 10.943 4.203 1.00 0.00 H new ATOM 0 HA THR A 38 2.594 10.607 4.531 1.00 0.00 H new ATOM 0 HB THR A 38 0.157 8.997 5.332 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.423 9.359 7.430 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.692 7.379 6.351 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.869 7.429 4.581 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.074 8.229 5.619 1.00 0.00 H new ATOM 602 N PRO A 39 3.082 9.099 2.608 1.00 0.00 N ATOM 603 CA PRO A 39 3.406 8.346 1.395 1.00 0.00 C ATOM 604 C PRO A 39 2.988 6.880 1.474 1.00 0.00 C ATOM 605 O PRO A 39 2.966 6.269 2.552 1.00 0.00 O ATOM 606 CB PRO A 39 4.930 8.453 1.300 1.00 0.00 C ATOM 607 CG PRO A 39 5.381 8.752 2.683 1.00 0.00 C ATOM 608 CD PRO A 39 4.292 9.563 3.308 1.00 0.00 C ATOM 0 HA PRO A 39 2.877 8.744 0.529 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.369 7.525 0.934 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.228 9.241 0.609 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.554 7.833 3.244 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.322 9.303 2.676 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.227 9.390 4.382 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.454 10.632 3.167 1.00 0.00 H new ATOM 616 N LEU A 40 2.671 6.312 0.320 1.00 0.00 N ATOM 617 CA LEU A 40 2.265 4.916 0.207 1.00 0.00 C ATOM 618 C LEU A 40 3.398 3.962 0.581 1.00 0.00 C ATOM 619 O LEU A 40 3.177 2.764 0.730 1.00 0.00 O ATOM 620 CB LEU A 40 1.773 4.620 -1.213 1.00 0.00 C ATOM 621 CG LEU A 40 0.480 5.320 -1.621 1.00 0.00 C ATOM 622 CD1 LEU A 40 0.240 5.175 -3.108 1.00 0.00 C ATOM 623 CD2 LEU A 40 -0.699 4.775 -0.844 1.00 0.00 C ATOM 0 H LEU A 40 2.688 6.808 -0.571 1.00 0.00 H new ATOM 0 HA LEU A 40 1.450 4.753 0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.556 4.903 -1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.630 3.544 -1.312 1.00 0.00 H new ATOM 0 HG LEU A 40 0.584 6.379 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.687 5.681 -3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.070 5.621 -3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.164 4.118 -3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.608 5.290 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.802 3.708 -1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.537 4.934 0.222 1.00 0.00 H new ATOM 635 N SER A 41 4.617 4.488 0.706 1.00 0.00 N ATOM 636 CA SER A 41 5.776 3.685 1.084 1.00 0.00 C ATOM 637 C SER A 41 5.507 2.898 2.369 1.00 0.00 C ATOM 638 O SER A 41 5.829 1.710 2.470 1.00 0.00 O ATOM 639 CB SER A 41 7.007 4.585 1.255 1.00 0.00 C ATOM 640 OG SER A 41 6.718 5.697 2.093 1.00 0.00 O ATOM 0 H SER A 41 4.826 5.474 0.549 1.00 0.00 H new ATOM 0 HA SER A 41 5.969 2.968 0.286 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.827 4.007 1.682 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.341 4.938 0.279 1.00 0.00 H new ATOM 0 HG SER A 41 7.520 6.253 2.187 1.00 0.00 H new ATOM 672 N LEU A 43 2.482 2.310 3.537 1.00 0.00 N ATOM 673 CA LEU A 43 1.322 1.477 3.231 1.00 0.00 C ATOM 674 C LEU A 43 1.774 0.150 2.626 1.00 0.00 C ATOM 675 O LEU A 43 1.337 -0.929 3.048 1.00 0.00 O ATOM 676 CB LEU A 43 0.368 2.239 2.277 1.00 0.00 C ATOM 677 CG LEU A 43 -0.748 1.424 1.602 1.00 0.00 C ATOM 678 CD1 LEU A 43 -1.942 2.313 1.288 1.00 0.00 C ATOM 679 CD2 LEU A 43 -0.242 0.790 0.315 1.00 0.00 C ATOM 0 HA LEU A 43 0.779 1.256 4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.098 3.048 2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.970 2.700 1.494 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.056 0.639 2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.722 1.720 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.328 2.744 2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.633 3.114 0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.045 0.217 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.089 1.571 -0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.593 0.127 0.540 1.00 0.00 H new ATOM 691 N MET A 44 2.658 0.234 1.641 1.00 0.00 N ATOM 692 CA MET A 44 3.203 -0.942 0.981 1.00 0.00 C ATOM 693 C MET A 44 3.955 -1.810 1.972 1.00 0.00 C ATOM 694 O MET A 44 3.849 -3.036 1.954 1.00 0.00 O ATOM 695 CB MET A 44 4.125 -0.523 -0.168 1.00 0.00 C ATOM 696 CG MET A 44 3.397 -0.181 -1.457 1.00 0.00 C ATOM 697 SD MET A 44 4.374 0.832 -2.571 1.00 0.00 S ATOM 698 CE MET A 44 3.209 1.054 -3.910 1.00 0.00 C ATOM 0 H MET A 44 3.016 1.118 1.278 1.00 0.00 H new ATOM 0 HA MET A 44 2.377 -1.525 0.573 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.709 0.342 0.147 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.831 -1.330 -0.365 1.00 0.00 H new ATOM 0 HG2 MET A 44 3.118 -1.104 -1.965 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.472 0.343 -1.217 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.711 1.526 -4.755 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.817 0.084 -4.216 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.388 1.688 -3.576 1.00 0.00 H new ATOM 708 N LYS A 45 4.707 -1.173 2.855 1.00 0.00 N ATOM 709 CA LYS A 45 5.461 -1.888 3.861 1.00 0.00 C ATOM 710 C LYS A 45 4.531 -2.500 4.910 1.00 0.00 C ATOM 711 O LYS A 45 4.743 -3.621 5.348 1.00 0.00 O ATOM 712 CB LYS A 45 6.516 -0.966 4.504 1.00 0.00 C ATOM 713 CG LYS A 45 7.296 -1.587 5.667 1.00 0.00 C ATOM 714 CD LYS A 45 7.904 -2.949 5.322 1.00 0.00 C ATOM 715 CE LYS A 45 8.960 -2.862 4.231 1.00 0.00 C ATOM 716 NZ LYS A 45 9.631 -4.172 4.014 1.00 0.00 N ATOM 0 H LYS A 45 4.809 -0.159 2.892 1.00 0.00 H new ATOM 0 HA LYS A 45 5.989 -2.710 3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.224 -0.658 3.735 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.019 -0.064 4.860 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.092 -0.906 5.968 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.632 -1.699 6.524 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.349 -3.381 6.218 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.111 -3.625 5.002 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.497 -2.531 3.301 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.703 -2.112 4.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.271 -4.103 3.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.177 -4.427 4.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.914 -4.903 3.831 1.00 0.00 H new ATOM 730 N ALA A 46 3.474 -1.781 5.280 1.00 0.00 N ATOM 731 CA ALA A 46 2.525 -2.276 6.271 1.00 0.00 C ATOM 732 C ALA A 46 1.906 -3.587 5.810 1.00 0.00 C ATOM 733 O ALA A 46 1.910 -4.577 6.536 1.00 0.00 O ATOM 734 CB ALA A 46 1.446 -1.246 6.547 1.00 0.00 C ATOM 0 H ALA A 46 3.254 -0.857 4.909 1.00 0.00 H new ATOM 0 HA ALA A 46 3.067 -2.458 7.199 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.750 -1.638 7.289 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.904 -0.332 6.926 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.908 -1.027 5.625 1.00 0.00 H new ATOM 740 N TYR A 47 1.389 -3.607 4.584 1.00 0.00 N ATOM 741 CA TYR A 47 0.804 -4.819 4.032 1.00 0.00 C ATOM 742 C TYR A 47 1.868 -5.903 3.873 1.00 0.00 C ATOM 743 O TYR A 47 1.592 -7.101 4.051 1.00 0.00 O ATOM 744 CB TYR A 47 0.117 -4.524 2.690 1.00 0.00 C ATOM 745 CG TYR A 47 -0.171 -5.755 1.853 1.00 0.00 C ATOM 746 CD1 TYR A 47 -1.359 -6.451 1.993 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.750 -6.213 0.920 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.627 -7.567 1.229 1.00 0.00 C ATOM 749 CE2 TYR A 47 0.493 -7.328 0.153 1.00 0.00 C ATOM 750 CZ TYR A 47 -0.697 -8.001 0.311 1.00 0.00 C ATOM 751 OH TYR A 47 -0.963 -9.111 -0.452 1.00 0.00 O ATOM 0 H TYR A 47 1.365 -2.801 3.959 1.00 0.00 H new ATOM 0 HA TYR A 47 0.048 -5.185 4.726 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.820 -4.002 2.882 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.747 -3.846 2.114 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.089 -6.114 2.714 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.684 -5.686 0.794 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.560 -8.097 1.350 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.220 -7.672 -0.567 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.207 -9.285 -1.051 1.00 0.00 H new ATOM 761 N CYS A 48 3.088 -5.483 3.566 1.00 0.00 N ATOM 762 CA CYS A 48 4.209 -6.397 3.389 1.00 0.00 C ATOM 763 C CYS A 48 4.530 -7.110 4.698 1.00 0.00 C ATOM 764 O CYS A 48 4.840 -8.302 4.717 1.00 0.00 O ATOM 765 CB CYS A 48 5.429 -5.608 2.869 1.00 0.00 C ATOM 766 SG CYS A 48 7.036 -6.126 3.519 1.00 0.00 S ATOM 0 H CYS A 48 3.328 -4.501 3.433 1.00 0.00 H new ATOM 0 HA CYS A 48 3.945 -7.161 2.657 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.454 -5.689 1.782 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.285 -4.554 3.107 1.00 0.00 H new ATOM 0 HG CYS A 48 7.309 -7.324 3.096 1.00 0.00 H new ATOM 772 N GLU A 49 4.424 -6.383 5.788 1.00 0.00 N ATOM 773 CA GLU A 49 4.697 -6.911 7.117 1.00 0.00 C ATOM 774 C GLU A 49 3.593 -7.842 7.570 1.00 0.00 C ATOM 775 O GLU A 49 3.833 -8.829 8.271 1.00 0.00 O ATOM 776 CB GLU A 49 4.822 -5.761 8.094 1.00 0.00 C ATOM 777 CG GLU A 49 6.006 -4.877 7.809 1.00 0.00 C ATOM 778 CD GLU A 49 7.314 -5.555 8.140 1.00 0.00 C ATOM 779 OE1 GLU A 49 7.415 -6.173 9.223 1.00 0.00 O ATOM 780 OE2 GLU A 49 8.237 -5.511 7.307 1.00 0.00 O ATOM 0 H GLU A 49 4.145 -5.402 5.783 1.00 0.00 H new ATOM 0 HA GLU A 49 5.628 -7.477 7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.912 -5.162 8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.906 -6.158 9.106 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.001 -4.594 6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.919 -3.957 8.387 1.00 0.00 H new ATOM 787 N ARG A 50 2.382 -7.527 7.176 1.00 0.00 N ATOM 788 CA ARG A 50 1.225 -8.317 7.538 1.00 0.00 C ATOM 789 C ARG A 50 1.262 -9.681 6.862 1.00 0.00 C ATOM 790 O ARG A 50 1.103 -10.708 7.507 1.00 0.00 O ATOM 791 CB ARG A 50 -0.048 -7.579 7.138 1.00 0.00 C ATOM 792 CG ARG A 50 -0.233 -6.234 7.821 1.00 0.00 C ATOM 793 CD ARG A 50 -0.793 -6.379 9.228 1.00 0.00 C ATOM 794 NE ARG A 50 -1.715 -5.280 9.558 1.00 0.00 N ATOM 795 CZ ARG A 50 -2.184 -5.028 10.780 1.00 0.00 C ATOM 796 NH1 ARG A 50 -1.734 -5.711 11.817 1.00 0.00 N ATOM 797 NH2 ARG A 50 -3.097 -4.077 10.960 1.00 0.00 N ATOM 0 H ARG A 50 2.169 -6.716 6.595 1.00 0.00 H new ATOM 0 HA ARG A 50 1.237 -8.468 8.617 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.042 -7.427 6.059 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.907 -8.210 7.366 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.725 -5.715 7.864 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.905 -5.615 7.226 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.315 -7.332 9.317 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.026 -6.396 9.947 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.016 -4.669 8.799 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.026 -6.433 11.684 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.094 -5.516 12.751 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.438 -3.540 10.163 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.455 -3.885 11.895 1.00 0.00 H new ATOM 811 N GLN A 51 1.492 -9.684 5.558 1.00 0.00 N ATOM 812 CA GLN A 51 1.489 -10.923 4.781 1.00 0.00 C ATOM 813 C GLN A 51 2.838 -11.639 4.800 1.00 0.00 C ATOM 814 O GLN A 51 2.907 -12.847 4.576 1.00 0.00 O ATOM 815 CB GLN A 51 1.060 -10.649 3.337 1.00 0.00 C ATOM 816 CG GLN A 51 -0.421 -10.914 3.058 1.00 0.00 C ATOM 817 CD GLN A 51 -1.373 -10.039 3.870 1.00 0.00 C ATOM 818 OE1 GLN A 51 -0.968 -8.813 4.151 1.00 0.00 O flip ATOM 819 NE2 GLN A 51 -2.475 -10.459 4.216 1.00 0.00 N flip ATOM 0 H GLN A 51 1.684 -8.844 5.012 1.00 0.00 H new ATOM 0 HA GLN A 51 0.768 -11.587 5.257 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.283 -9.610 3.095 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.660 -11.267 2.669 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.614 -10.755 1.997 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.638 -11.961 3.268 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.754 -11.412 3.981 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.110 -9.855 4.738 1.00 0.00 H new ATOM 828 N GLY A 52 3.909 -10.917 5.075 1.00 0.00 N ATOM 829 CA GLY A 52 5.218 -11.546 5.081 1.00 0.00 C ATOM 830 C GLY A 52 5.755 -11.735 3.677 1.00 0.00 C ATOM 831 O GLY A 52 6.079 -12.852 3.260 1.00 0.00 O ATOM 0 H GLY A 52 3.902 -9.920 5.292 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.913 -10.935 5.657 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.155 -12.513 5.580 1.00 0.00 H new ATOM 835 N LEU A 53 5.881 -10.646 2.953 1.00 0.00 N ATOM 836 CA LEU A 53 6.307 -10.694 1.570 1.00 0.00 C ATOM 837 C LEU A 53 7.128 -9.463 1.229 1.00 0.00 C ATOM 838 O LEU A 53 7.240 -8.551 2.033 1.00 0.00 O ATOM 839 CB LEU A 53 5.096 -10.862 0.620 1.00 0.00 C ATOM 840 CG LEU A 53 3.901 -9.916 0.836 1.00 0.00 C ATOM 841 CD1 LEU A 53 4.244 -8.495 0.432 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.690 -10.412 0.060 1.00 0.00 C ATOM 0 H LEU A 53 5.693 -9.706 3.302 1.00 0.00 H new ATOM 0 HA LEU A 53 6.944 -11.568 1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.448 -10.734 -0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.736 -11.887 0.708 1.00 0.00 H new ATOM 0 HG LEU A 53 3.661 -9.912 1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.380 -7.851 0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.081 -8.138 1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.518 -8.473 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.852 -9.734 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.929 -10.447 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.421 -11.410 0.405 1.00 0.00 H new ATOM 854 N SER A 54 7.683 -9.426 0.043 1.00 0.00 N ATOM 855 CA SER A 54 8.505 -8.310 -0.369 1.00 0.00 C ATOM 856 C SER A 54 7.716 -7.351 -1.256 1.00 0.00 C ATOM 857 O SER A 54 7.101 -7.762 -2.239 1.00 0.00 O ATOM 858 CB SER A 54 9.734 -8.825 -1.103 1.00 0.00 C ATOM 859 OG SER A 54 10.525 -9.647 -0.256 1.00 0.00 O ATOM 0 H SER A 54 7.581 -10.159 -0.659 1.00 0.00 H new ATOM 0 HA SER A 54 8.821 -7.761 0.518 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.426 -9.392 -1.982 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.329 -7.984 -1.458 1.00 0.00 H new ATOM 0 HG SER A 54 11.308 -9.968 -0.750 1.00 0.00 H new ATOM 865 N MET A 55 7.749 -6.059 -0.917 1.00 0.00 N ATOM 866 CA MET A 55 7.031 -5.038 -1.686 1.00 0.00 C ATOM 867 C MET A 55 7.597 -4.912 -3.098 1.00 0.00 C ATOM 868 O MET A 55 6.907 -4.508 -4.023 1.00 0.00 O ATOM 869 CB MET A 55 7.074 -3.669 -0.985 1.00 0.00 C ATOM 870 CG MET A 55 8.480 -3.165 -0.688 1.00 0.00 C ATOM 871 SD MET A 55 8.571 -1.374 -0.544 1.00 0.00 S ATOM 872 CE MET A 55 7.487 -1.076 0.843 1.00 0.00 C ATOM 0 H MET A 55 8.265 -5.695 -0.116 1.00 0.00 H new ATOM 0 HA MET A 55 5.992 -5.361 -1.750 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.562 -2.937 -1.610 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.518 -3.734 -0.050 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.833 -3.617 0.239 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.153 -3.495 -1.480 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.759 -0.309 0.578 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.965 -1.997 1.101 1.00 0.00 H new ATOM 0 HE3 MET A 55 8.074 -0.740 1.698 1.00 0.00 H new ATOM 882 N ARG A 56 8.861 -5.274 -3.260 1.00 0.00 N ATOM 883 CA ARG A 56 9.518 -5.210 -4.561 1.00 0.00 C ATOM 884 C ARG A 56 9.067 -6.359 -5.466 1.00 0.00 C ATOM 885 O ARG A 56 9.353 -6.378 -6.661 1.00 0.00 O ATOM 886 CB ARG A 56 11.040 -5.260 -4.389 1.00 0.00 C ATOM 887 CG ARG A 56 11.529 -6.486 -3.656 1.00 0.00 C ATOM 888 CD ARG A 56 13.017 -6.674 -3.825 1.00 0.00 C ATOM 889 NE ARG A 56 13.532 -7.659 -2.891 1.00 0.00 N ATOM 890 CZ ARG A 56 14.340 -8.673 -3.217 1.00 0.00 C ATOM 891 NH1 ARG A 56 14.708 -8.863 -4.486 1.00 0.00 N ATOM 892 NH2 ARG A 56 14.773 -9.504 -2.271 1.00 0.00 N ATOM 0 H ARG A 56 9.455 -5.616 -2.505 1.00 0.00 H new ATOM 0 HA ARG A 56 9.235 -4.268 -5.031 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.509 -5.224 -5.372 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.365 -4.371 -3.849 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.290 -6.397 -2.596 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.005 -7.367 -4.028 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.233 -6.990 -4.846 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.526 -5.722 -3.671 1.00 0.00 H new ATOM 0 HE ARG A 56 13.257 -7.571 -1.913 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.372 -8.232 -5.214 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.325 -9.639 -4.727 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.488 -9.366 -1.301 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.390 -10.279 -2.516 1.00 0.00 H new ATOM 906 N GLN A 57 8.379 -7.329 -4.890 1.00 0.00 N ATOM 907 CA GLN A 57 7.921 -8.495 -5.637 1.00 0.00 C ATOM 908 C GLN A 57 6.428 -8.400 -5.916 1.00 0.00 C ATOM 909 O GLN A 57 5.827 -9.301 -6.501 1.00 0.00 O ATOM 910 CB GLN A 57 8.222 -9.762 -4.838 1.00 0.00 C ATOM 911 CG GLN A 57 9.672 -9.870 -4.393 1.00 0.00 C ATOM 912 CD GLN A 57 10.631 -10.148 -5.532 1.00 0.00 C ATOM 913 OE1 GLN A 57 10.927 -11.298 -5.839 1.00 0.00 O ATOM 914 NE2 GLN A 57 11.118 -9.100 -6.166 1.00 0.00 N ATOM 0 H GLN A 57 8.123 -7.335 -3.903 1.00 0.00 H new ATOM 0 HA GLN A 57 8.447 -8.531 -6.591 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.578 -9.789 -3.959 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.971 -10.632 -5.444 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.963 -8.942 -3.901 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.759 -10.665 -3.652 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.847 -8.159 -5.880 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.766 -9.230 -6.943 1.00 0.00 H new ATOM 923 N ILE A 58 5.828 -7.303 -5.505 1.00 0.00 N ATOM 924 CA ILE A 58 4.403 -7.106 -5.672 1.00 0.00 C ATOM 925 C ILE A 58 4.114 -5.714 -6.213 1.00 0.00 C ATOM 926 O ILE A 58 5.011 -4.882 -6.334 1.00 0.00 O ATOM 927 CB ILE A 58 3.640 -7.292 -4.336 1.00 0.00 C ATOM 928 CG1 ILE A 58 4.193 -6.351 -3.281 1.00 0.00 C ATOM 929 CG2 ILE A 58 3.740 -8.726 -3.856 1.00 0.00 C ATOM 930 CD1 ILE A 58 3.344 -6.259 -2.034 1.00 0.00 C ATOM 0 H ILE A 58 6.309 -6.528 -5.049 1.00 0.00 H new ATOM 0 HA ILE A 58 4.059 -7.858 -6.382 1.00 0.00 H new ATOM 0 HB ILE A 58 2.589 -7.057 -4.506 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.194 -6.681 -3.003 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.294 -5.356 -3.714 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.197 -8.834 -2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.307 -9.391 -4.604 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.787 -8.986 -3.702 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.806 -5.568 -1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.349 -5.899 -2.297 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.263 -7.244 -1.575 1.00 0.00 H new ATOM 942 N ARG A 59 2.864 -5.464 -6.543 1.00 0.00 N ATOM 943 CA ARG A 59 2.446 -4.167 -7.037 1.00 0.00 C ATOM 944 C ARG A 59 1.075 -3.803 -6.500 1.00 0.00 C ATOM 945 O ARG A 59 0.244 -4.683 -6.235 1.00 0.00 O ATOM 946 CB ARG A 59 2.436 -4.131 -8.565 1.00 0.00 C ATOM 947 CG ARG A 59 3.804 -3.946 -9.203 1.00 0.00 C ATOM 948 CD ARG A 59 4.483 -2.684 -8.694 1.00 0.00 C ATOM 949 NE ARG A 59 5.538 -2.227 -9.595 1.00 0.00 N ATOM 950 CZ ARG A 59 6.542 -1.424 -9.244 1.00 0.00 C ATOM 951 NH1 ARG A 59 6.696 -1.051 -7.974 1.00 0.00 N ATOM 952 NH2 ARG A 59 7.406 -1.014 -10.158 1.00 0.00 N ATOM 0 H ARG A 59 2.112 -6.150 -6.477 1.00 0.00 H new ATOM 0 HA ARG A 59 3.169 -3.433 -6.682 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.000 -5.059 -8.934 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.785 -3.321 -8.892 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.430 -4.812 -8.985 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.699 -3.893 -10.287 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.740 -1.895 -8.577 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.906 -2.873 -7.707 1.00 0.00 H new ATOM 0 HE ARG A 59 5.504 -2.546 -10.563 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.043 -1.380 -7.263 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.467 -0.436 -7.713 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.303 -1.312 -11.128 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.176 -0.399 -9.893 1.00 0.00 H new ATOM 966 N PHE A 60 0.842 -2.502 -6.336 1.00 0.00 N ATOM 967 CA PHE A 60 -0.419 -1.985 -5.814 1.00 0.00 C ATOM 968 C PHE A 60 -1.144 -1.174 -6.886 1.00 0.00 C ATOM 969 O PHE A 60 -0.539 -0.315 -7.552 1.00 0.00 O ATOM 970 CB PHE A 60 -0.171 -1.090 -4.574 1.00 0.00 C ATOM 971 CG PHE A 60 0.363 -1.812 -3.369 1.00 0.00 C ATOM 972 CD1 PHE A 60 1.604 -2.429 -3.398 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.370 -1.856 -2.199 1.00 0.00 C ATOM 974 CE1 PHE A 60 2.096 -3.076 -2.284 1.00 0.00 C ATOM 975 CE2 PHE A 60 0.119 -2.504 -1.082 1.00 0.00 C ATOM 976 CZ PHE A 60 1.352 -3.114 -1.127 1.00 0.00 C ATOM 0 H PHE A 60 1.523 -1.777 -6.562 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.037 -2.834 -5.522 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.530 -0.302 -4.847 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.108 -0.603 -4.302 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.192 -2.403 -4.303 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.337 -1.378 -2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.065 -3.553 -2.320 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.465 -2.532 -0.174 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.735 -3.622 -0.255 1.00 0.00 H new ATOM 986 N ARG A 61 -2.431 -1.430 -7.058 1.00 0.00 N ATOM 987 CA ARG A 61 -3.223 -0.698 -8.039 1.00 0.00 C ATOM 988 C ARG A 61 -4.573 -0.287 -7.458 1.00 0.00 C ATOM 989 O ARG A 61 -5.212 -1.044 -6.721 1.00 0.00 O ATOM 990 CB ARG A 61 -3.386 -1.512 -9.340 1.00 0.00 C ATOM 991 CG ARG A 61 -4.202 -2.779 -9.204 1.00 0.00 C ATOM 992 CD ARG A 61 -5.648 -2.590 -9.631 1.00 0.00 C ATOM 993 NE ARG A 61 -6.383 -3.853 -9.563 1.00 0.00 N ATOM 994 CZ ARG A 61 -7.663 -4.009 -9.885 1.00 0.00 C ATOM 995 NH1 ARG A 61 -8.355 -3.005 -10.406 1.00 0.00 N ATOM 996 NH2 ARG A 61 -8.240 -5.183 -9.708 1.00 0.00 N ATOM 0 H ARG A 61 -2.950 -2.135 -6.535 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.686 0.216 -8.292 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.853 -0.876 -10.092 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.396 -1.774 -9.713 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.749 -3.566 -9.807 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.174 -3.116 -8.168 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.127 -1.851 -8.989 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.683 -2.199 -10.648 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.874 -4.677 -9.244 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.905 -2.103 -10.563 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.337 -3.135 -10.650 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.704 -5.962 -9.327 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.222 -5.311 -9.953 1.00 0.00 H new ATOM 1010 N PHE A 62 -4.997 0.916 -7.784 1.00 0.00 N ATOM 1011 CA PHE A 62 -6.238 1.467 -7.288 1.00 0.00 C ATOM 1012 C PHE A 62 -6.963 2.194 -8.408 1.00 0.00 C ATOM 1013 O PHE A 62 -6.346 2.898 -9.190 1.00 0.00 O ATOM 1014 CB PHE A 62 -5.948 2.435 -6.132 1.00 0.00 C ATOM 1015 CG PHE A 62 -7.166 3.106 -5.560 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.926 2.480 -4.591 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.540 4.371 -5.987 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -9.037 3.099 -4.057 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.652 4.995 -5.458 1.00 0.00 C ATOM 1020 CZ PHE A 62 -9.401 4.359 -4.492 1.00 0.00 C ATOM 0 H PHE A 62 -4.485 1.543 -8.405 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.872 0.658 -6.924 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.442 1.889 -5.336 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.257 3.202 -6.482 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.647 1.495 -4.248 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.955 4.874 -6.742 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.622 2.599 -3.299 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.934 5.980 -5.801 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.271 4.845 -4.076 1.00 0.00 H new ATOM 1030 N ASP A 63 -8.273 2.009 -8.490 1.00 0.00 N ATOM 1031 CA ASP A 63 -9.107 2.657 -9.520 1.00 0.00 C ATOM 1032 C ASP A 63 -8.605 2.377 -10.922 1.00 0.00 C ATOM 1033 O ASP A 63 -8.716 3.216 -11.814 1.00 0.00 O ATOM 1034 CB ASP A 63 -9.185 4.164 -9.300 1.00 0.00 C ATOM 1035 CG ASP A 63 -10.612 4.635 -9.146 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -11.359 4.621 -10.148 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -11.006 4.987 -8.020 1.00 0.00 O ATOM 0 H ASP A 63 -8.796 1.410 -7.852 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.104 2.228 -9.422 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.616 4.431 -8.410 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.721 4.679 -10.141 1.00 0.00 H new ATOM 1042 N GLY A 64 -8.063 1.196 -11.134 1.00 0.00 N ATOM 1043 CA GLY A 64 -7.573 0.841 -12.449 1.00 0.00 C ATOM 1044 C GLY A 64 -6.184 1.379 -12.750 1.00 0.00 C ATOM 1045 O GLY A 64 -5.615 1.094 -13.803 1.00 0.00 O ATOM 0 H GLY A 64 -7.951 0.474 -10.423 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.560 -0.245 -12.541 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.269 1.216 -13.200 1.00 0.00 H new ATOM 1049 N GLN A 65 -5.631 2.165 -11.848 1.00 0.00 N ATOM 1050 CA GLN A 65 -4.311 2.735 -12.062 1.00 0.00 C ATOM 1051 C GLN A 65 -3.334 2.323 -10.964 1.00 0.00 C ATOM 1052 O GLN A 65 -3.701 2.213 -9.797 1.00 0.00 O ATOM 1053 CB GLN A 65 -4.391 4.263 -12.173 1.00 0.00 C ATOM 1054 CG GLN A 65 -5.045 4.940 -10.984 1.00 0.00 C ATOM 1055 CD GLN A 65 -5.168 6.429 -11.165 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -4.281 7.192 -10.787 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -6.264 6.852 -11.753 1.00 0.00 N ATOM 0 H GLN A 65 -6.070 2.424 -10.964 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.931 2.339 -13.004 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.383 4.660 -12.294 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.946 4.522 -13.075 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.036 4.513 -10.826 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.462 4.733 -10.086 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.974 6.183 -12.050 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.405 7.850 -11.912 1.00 0.00 H new ATOM 1066 N PRO A 66 -2.086 2.058 -11.339 1.00 0.00 N ATOM 1067 CA PRO A 66 -1.036 1.687 -10.392 1.00 0.00 C ATOM 1068 C PRO A 66 -0.534 2.895 -9.603 1.00 0.00 C ATOM 1069 O PRO A 66 -0.511 4.017 -10.110 1.00 0.00 O ATOM 1070 CB PRO A 66 0.069 1.148 -11.298 1.00 0.00 C ATOM 1071 CG PRO A 66 -0.114 1.883 -12.581 1.00 0.00 C ATOM 1072 CD PRO A 66 -1.594 2.095 -12.730 1.00 0.00 C ATOM 0 HA PRO A 66 -1.381 0.973 -9.644 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.056 1.330 -10.873 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.023 0.071 -11.440 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.417 2.835 -12.564 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.284 1.311 -13.419 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.817 3.048 -13.210 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.052 1.316 -13.339 1.00 0.00 H new ATOM 1080 N ILE A 67 -0.128 2.670 -8.368 1.00 0.00 N ATOM 1081 CA ILE A 67 0.381 3.748 -7.531 1.00 0.00 C ATOM 1082 C ILE A 67 1.732 3.392 -6.947 1.00 0.00 C ATOM 1083 O ILE A 67 1.955 2.266 -6.502 1.00 0.00 O ATOM 1084 CB ILE A 67 -0.587 4.147 -6.373 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -1.082 2.912 -5.574 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -1.754 4.975 -6.899 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -2.263 2.190 -6.193 1.00 0.00 C ATOM 0 H ILE A 67 -0.139 1.754 -7.920 1.00 0.00 H new ATOM 0 HA ILE A 67 0.474 4.609 -8.193 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.021 4.766 -5.676 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.256 2.208 -5.471 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.355 3.232 -4.569 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.414 5.240 -6.073 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.374 5.884 -7.366 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.310 4.394 -7.635 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.540 1.342 -5.567 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.108 2.874 -6.271 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.992 1.834 -7.187 1.00 0.00 H new ATOM 1099 N ASN A 68 2.648 4.339 -6.974 1.00 0.00 N ATOM 1100 CA ASN A 68 3.976 4.136 -6.417 1.00 0.00 C ATOM 1101 C ASN A 68 4.039 4.607 -4.983 1.00 0.00 C ATOM 1102 O ASN A 68 3.249 5.448 -4.559 1.00 0.00 O ATOM 1103 CB ASN A 68 5.065 4.840 -7.258 1.00 0.00 C ATOM 1104 CG ASN A 68 4.687 6.236 -7.723 1.00 0.00 C ATOM 1105 OD1 ASN A 68 3.900 6.937 -6.936 1.00 0.00 O flip ATOM 1106 ND2 ASN A 68 5.121 6.685 -8.778 1.00 0.00 N flip ATOM 0 H ASN A 68 2.498 5.264 -7.378 1.00 0.00 H new ATOM 0 HA ASN A 68 4.173 3.064 -6.443 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.980 4.901 -6.669 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.288 4.226 -8.131 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.729 6.113 -9.364 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.874 7.631 -9.070 1.00 0.00 H new ATOM 1113 N GLU A 69 4.996 4.083 -4.240 1.00 0.00 N ATOM 1114 CA GLU A 69 5.181 4.417 -2.828 1.00 0.00 C ATOM 1115 C GLU A 69 5.442 5.906 -2.611 1.00 0.00 C ATOM 1116 O GLU A 69 5.227 6.434 -1.519 1.00 0.00 O ATOM 1117 CB GLU A 69 6.336 3.615 -2.260 1.00 0.00 C ATOM 1118 CG GLU A 69 7.548 3.587 -3.162 1.00 0.00 C ATOM 1119 CD GLU A 69 8.808 3.244 -2.420 1.00 0.00 C ATOM 1120 OE1 GLU A 69 9.447 4.168 -1.863 1.00 0.00 O ATOM 1121 OE2 GLU A 69 9.174 2.064 -2.387 1.00 0.00 O ATOM 0 H GLU A 69 5.674 3.409 -4.595 1.00 0.00 H new ATOM 0 HA GLU A 69 4.254 4.167 -2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.620 4.035 -1.295 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.004 2.593 -2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.389 2.859 -3.957 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.664 4.560 -3.639 1.00 0.00 H new ATOM 1128 N THR A 70 5.907 6.583 -3.646 1.00 0.00 N ATOM 1129 CA THR A 70 6.219 7.993 -3.555 1.00 0.00 C ATOM 1130 C THR A 70 4.950 8.839 -3.530 1.00 0.00 C ATOM 1131 O THR A 70 4.980 10.015 -3.173 1.00 0.00 O ATOM 1132 CB THR A 70 7.106 8.437 -4.731 1.00 0.00 C ATOM 1133 OG1 THR A 70 6.409 8.230 -5.967 1.00 0.00 O ATOM 1134 CG2 THR A 70 8.399 7.638 -4.752 1.00 0.00 C ATOM 0 H THR A 70 6.077 6.173 -4.564 1.00 0.00 H new ATOM 0 HA THR A 70 6.761 8.144 -2.622 1.00 0.00 H new ATOM 0 HB THR A 70 7.340 9.495 -4.608 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.534 7.827 -5.786 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.015 7.965 -5.590 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.941 7.798 -3.820 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.170 6.578 -4.861 1.00 0.00 H new ATOM 1142 N ASP A 71 3.834 8.236 -3.899 1.00 0.00 N ATOM 1143 CA ASP A 71 2.569 8.942 -3.939 1.00 0.00 C ATOM 1144 C ASP A 71 1.812 8.801 -2.637 1.00 0.00 C ATOM 1145 O ASP A 71 2.143 7.966 -1.798 1.00 0.00 O ATOM 1146 CB ASP A 71 1.721 8.474 -5.121 1.00 0.00 C ATOM 1147 CG ASP A 71 1.850 9.414 -6.295 1.00 0.00 C ATOM 1148 OD1 ASP A 71 1.653 10.628 -6.102 1.00 0.00 O ATOM 1149 OD2 ASP A 71 2.169 8.952 -7.411 1.00 0.00 O ATOM 0 H ASP A 71 3.780 7.256 -4.176 1.00 0.00 H new ATOM 0 HA ASP A 71 2.787 10.001 -4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.030 7.472 -5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.676 8.408 -4.818 1.00 0.00 H new ATOM 1154 N THR A 72 0.808 9.632 -2.457 1.00 0.00 N ATOM 1155 CA THR A 72 0.014 9.631 -1.246 1.00 0.00 C ATOM 1156 C THR A 72 -1.440 9.276 -1.552 1.00 0.00 C ATOM 1157 O THR A 72 -1.893 9.424 -2.692 1.00 0.00 O ATOM 1158 CB THR A 72 0.054 11.023 -0.578 1.00 0.00 C ATOM 1159 OG1 THR A 72 -0.307 12.029 -1.539 1.00 0.00 O ATOM 1160 CG2 THR A 72 1.439 11.320 -0.033 1.00 0.00 C ATOM 0 H THR A 72 0.519 10.327 -3.145 1.00 0.00 H new ATOM 0 HA THR A 72 0.435 8.884 -0.573 1.00 0.00 H new ATOM 0 HB THR A 72 -0.655 11.029 0.250 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.283 12.911 -1.114 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.443 12.305 0.433 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.708 10.567 0.708 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.163 11.301 -0.848 1.00 0.00 H new ATOM 1168 N PRO A 73 -2.205 8.807 -0.542 1.00 0.00 N ATOM 1169 CA PRO A 73 -3.625 8.482 -0.716 1.00 0.00 C ATOM 1170 C PRO A 73 -4.469 9.736 -0.983 1.00 0.00 C ATOM 1171 O PRO A 73 -5.663 9.659 -1.291 1.00 0.00 O ATOM 1172 CB PRO A 73 -4.018 7.843 0.624 1.00 0.00 C ATOM 1173 CG PRO A 73 -3.017 8.353 1.603 1.00 0.00 C ATOM 1174 CD PRO A 73 -1.740 8.533 0.837 1.00 0.00 C ATOM 0 HA PRO A 73 -3.795 7.830 -1.573 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.031 8.123 0.913 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.993 6.755 0.565 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.345 9.296 2.040 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.883 7.650 2.425 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.147 9.357 1.233 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.115 7.641 0.881 1.00 0.00 H new ATOM 1182 N ALA A 74 -3.846 10.896 -0.865 1.00 0.00 N ATOM 1183 CA ALA A 74 -4.518 12.156 -1.107 1.00 0.00 C ATOM 1184 C ALA A 74 -4.288 12.616 -2.533 1.00 0.00 C ATOM 1185 O ALA A 74 -5.043 13.428 -3.063 1.00 0.00 O ATOM 1186 CB ALA A 74 -4.031 13.209 -0.134 1.00 0.00 C ATOM 0 H ALA A 74 -2.865 10.988 -0.600 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.588 12.009 -0.958 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.545 14.150 -0.329 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.239 12.886 0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.957 13.350 -0.258 1.00 0.00 H new ATOM 1192 N GLN A 75 -3.251 12.074 -3.167 1.00 0.00 N ATOM 1193 CA GLN A 75 -2.896 12.438 -4.533 1.00 0.00 C ATOM 1194 C GLN A 75 -4.035 12.109 -5.481 1.00 0.00 C ATOM 1195 O GLN A 75 -4.350 12.864 -6.394 1.00 0.00 O ATOM 1196 CB GLN A 75 -1.644 11.684 -4.972 1.00 0.00 C ATOM 1197 CG GLN A 75 -0.944 12.302 -6.162 1.00 0.00 C ATOM 1198 CD GLN A 75 -0.118 13.499 -5.765 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -0.600 14.633 -5.757 1.00 0.00 O ATOM 1200 NE2 GLN A 75 1.130 13.255 -5.426 1.00 0.00 N ATOM 0 H GLN A 75 -2.637 11.374 -2.750 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.702 13.510 -4.561 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.947 11.639 -4.135 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.917 10.657 -5.216 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.302 11.558 -6.633 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.684 12.601 -6.904 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.487 12.300 -5.447 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.740 14.021 -5.142 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.662 10.974 -5.251 1.00 0.00 N ATOM 1210 CA LEU A 76 -5.755 10.519 -6.086 1.00 0.00 C ATOM 1211 C LEU A 76 -7.087 10.687 -5.370 1.00 0.00 C ATOM 1212 O LEU A 76 -8.143 10.367 -5.910 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.545 9.049 -6.568 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.919 8.026 -5.571 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.417 8.233 -5.417 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -5.602 8.082 -4.217 1.00 0.00 C ATOM 0 H LEU A 76 -4.430 10.343 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.771 11.144 -6.979 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.514 8.659 -6.879 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.913 9.077 -7.456 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.079 7.035 -5.995 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.019 7.501 -4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.931 8.108 -6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.225 9.238 -5.041 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.141 7.356 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.496 9.082 -3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.660 7.847 -4.333 1.00 0.00 H new ATOM 1228 N GLU A 77 -7.018 11.211 -4.148 1.00 0.00 N ATOM 1229 CA GLU A 77 -8.191 11.454 -3.312 1.00 0.00 C ATOM 1230 C GLU A 77 -9.058 10.211 -3.141 1.00 0.00 C ATOM 1231 O GLU A 77 -10.216 10.177 -3.554 1.00 0.00 O ATOM 1232 CB GLU A 77 -9.020 12.622 -3.843 1.00 0.00 C ATOM 1233 CG GLU A 77 -8.334 13.967 -3.705 1.00 0.00 C ATOM 1234 CD GLU A 77 -9.212 15.113 -4.143 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -10.302 15.283 -3.562 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -8.809 15.862 -5.055 1.00 0.00 O ATOM 0 H GLU A 77 -6.139 11.481 -3.707 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.814 11.719 -2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.248 12.446 -4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.971 12.653 -3.311 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.040 14.116 -2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.420 13.967 -4.298 1.00 0.00 H new ATOM 1243 N MET A 78 -8.489 9.182 -2.542 1.00 0.00 N ATOM 1244 CA MET A 78 -9.243 7.969 -2.266 1.00 0.00 C ATOM 1245 C MET A 78 -10.094 8.158 -1.024 1.00 0.00 C ATOM 1246 O MET A 78 -9.908 9.116 -0.265 1.00 0.00 O ATOM 1247 CB MET A 78 -8.320 6.758 -2.099 1.00 0.00 C ATOM 1248 CG MET A 78 -7.200 6.963 -1.099 1.00 0.00 C ATOM 1249 SD MET A 78 -6.231 5.469 -0.811 1.00 0.00 S ATOM 1250 CE MET A 78 -5.905 4.920 -2.483 1.00 0.00 C ATOM 0 H MET A 78 -7.515 9.159 -2.238 1.00 0.00 H new ATOM 0 HA MET A 78 -9.891 7.775 -3.120 1.00 0.00 H new ATOM 0 HB2 MET A 78 -8.917 5.901 -1.788 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.886 6.510 -3.068 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.541 7.754 -1.457 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.622 7.304 -0.154 1.00 0.00 H new ATOM 0 HE1 MET A 78 -6.457 4.000 -2.678 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.222 5.689 -3.187 1.00 0.00 H new ATOM 0 HE3 MET A 78 -4.838 4.735 -2.604 1.00 0.00 H new ATOM 1260 N GLU A 79 -11.015 7.252 -0.805 1.00 0.00 N ATOM 1261 CA GLU A 79 -11.923 7.348 0.319 1.00 0.00 C ATOM 1262 C GLU A 79 -11.385 6.594 1.513 1.00 0.00 C ATOM 1263 O GLU A 79 -10.436 5.812 1.403 1.00 0.00 O ATOM 1264 CB GLU A 79 -13.285 6.792 -0.065 1.00 0.00 C ATOM 1265 CG GLU A 79 -13.908 7.482 -1.259 1.00 0.00 C ATOM 1266 CD GLU A 79 -14.268 8.929 -0.981 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -13.392 9.814 -1.125 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -15.434 9.192 -0.610 1.00 0.00 O ATOM 0 H GLU A 79 -11.159 6.432 -1.394 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.022 8.400 0.589 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.186 5.728 -0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.958 6.882 0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.215 7.440 -2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.805 6.940 -1.558 1.00 0.00 H new ATOM 1275 N ASP A 80 -11.982 6.824 2.663 1.00 0.00 N ATOM 1276 CA ASP A 80 -11.587 6.132 3.863 1.00 0.00 C ATOM 1277 C ASP A 80 -12.114 4.717 3.844 1.00 0.00 C ATOM 1278 O ASP A 80 -13.232 4.459 3.392 1.00 0.00 O ATOM 1279 CB ASP A 80 -12.074 6.857 5.121 1.00 0.00 C ATOM 1280 CG ASP A 80 -13.579 7.015 5.170 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -14.118 7.864 4.430 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -14.231 6.301 5.957 1.00 0.00 O ATOM 0 H ASP A 80 -12.746 7.489 2.788 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.498 6.113 3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.744 6.306 6.002 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.609 7.842 5.168 1.00 0.00 H new ATOM 1287 N GLU A 81 -11.286 3.798 4.299 1.00 0.00 N ATOM 1288 CA GLU A 81 -11.613 2.385 4.378 1.00 0.00 C ATOM 1289 C GLU A 81 -11.742 1.772 2.988 1.00 0.00 C ATOM 1290 O GLU A 81 -12.332 0.705 2.811 1.00 0.00 O ATOM 1291 CB GLU A 81 -12.868 2.165 5.233 1.00 0.00 C ATOM 1292 CG GLU A 81 -12.728 2.754 6.630 1.00 0.00 C ATOM 1293 CD GLU A 81 -13.934 2.520 7.509 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -14.088 1.406 8.030 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -14.721 3.467 7.702 1.00 0.00 O ATOM 0 H GLU A 81 -10.347 4.016 4.632 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.792 1.867 4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.727 2.616 4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -13.069 1.097 5.310 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.850 2.323 7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.552 3.826 6.547 1.00 0.00 H new ATOM 1302 N ASP A 82 -11.164 2.449 1.990 1.00 0.00 N ATOM 1303 CA ASP A 82 -11.146 1.949 0.624 1.00 0.00 C ATOM 1304 C ASP A 82 -10.179 0.769 0.517 1.00 0.00 C ATOM 1305 O ASP A 82 -9.544 0.383 1.500 1.00 0.00 O ATOM 1306 CB ASP A 82 -10.719 3.047 -0.336 1.00 0.00 C ATOM 1307 CG ASP A 82 -11.479 2.989 -1.642 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -11.530 1.899 -2.264 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -12.030 4.028 -2.061 1.00 0.00 O ATOM 0 H ASP A 82 -10.701 3.350 2.111 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.151 1.620 0.359 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.877 4.019 0.132 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.651 2.959 -0.535 1.00 0.00 H new ATOM 1314 N THR A 83 -10.047 0.193 -0.659 1.00 0.00 N ATOM 1315 CA THR A 83 -9.191 -0.962 -0.826 1.00 0.00 C ATOM 1316 C THR A 83 -8.316 -0.841 -2.083 1.00 0.00 C ATOM 1317 O THR A 83 -8.701 -0.223 -3.072 1.00 0.00 O ATOM 1318 CB THR A 83 -10.031 -2.250 -0.901 1.00 0.00 C ATOM 1319 OG1 THR A 83 -11.119 -2.158 0.033 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.189 -3.462 -0.544 1.00 0.00 C ATOM 0 H THR A 83 -10.518 0.503 -1.509 1.00 0.00 H new ATOM 0 HA THR A 83 -8.535 -1.008 0.043 1.00 0.00 H new ATOM 0 HB THR A 83 -10.405 -2.362 -1.919 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.658 -2.975 -0.012 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.802 -4.361 -0.603 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.356 -3.544 -1.242 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.804 -3.352 0.470 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.137 -1.447 -2.031 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.177 -1.426 -3.127 1.00 0.00 C ATOM 1330 C ILE A 84 -5.861 -2.863 -3.519 1.00 0.00 C ATOM 1331 O ILE A 84 -5.815 -3.742 -2.661 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.852 -0.683 -2.726 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -5.077 0.830 -2.576 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -3.738 -0.942 -3.726 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -5.810 1.228 -1.320 1.00 0.00 C ATOM 0 H ILE A 84 -6.817 -1.973 -1.218 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.615 -0.884 -3.965 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.548 -1.087 -1.760 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.110 1.332 -2.593 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.638 1.189 -3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.838 -0.411 -3.414 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.531 -2.011 -3.771 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.044 -0.589 -4.711 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.926 2.312 -1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.793 0.758 -1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.242 0.903 -0.449 1.00 0.00 H new ATOM 1347 N ASP A 85 -5.659 -3.116 -4.801 1.00 0.00 N ATOM 1348 CA ASP A 85 -5.391 -4.467 -5.271 1.00 0.00 C ATOM 1349 C ASP A 85 -3.907 -4.730 -5.318 1.00 0.00 C ATOM 1350 O ASP A 85 -3.122 -3.860 -5.711 1.00 0.00 O ATOM 1351 CB ASP A 85 -5.960 -4.654 -6.653 1.00 0.00 C ATOM 1352 CG ASP A 85 -5.993 -6.094 -7.099 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -6.490 -6.948 -6.341 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -5.552 -6.371 -8.229 1.00 0.00 O ATOM 0 H ASP A 85 -5.675 -2.407 -5.534 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.859 -5.165 -4.577 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.972 -4.251 -6.678 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.368 -4.075 -7.362 1.00 0.00 H new ATOM 1359 N VAL A 86 -3.516 -5.911 -4.920 1.00 0.00 N ATOM 1360 CA VAL A 86 -2.136 -6.304 -4.941 1.00 0.00 C ATOM 1361 C VAL A 86 -1.946 -7.563 -5.749 1.00 0.00 C ATOM 1362 O VAL A 86 -2.747 -8.500 -5.687 1.00 0.00 O ATOM 1363 CB VAL A 86 -1.569 -6.486 -3.504 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -0.423 -7.497 -3.466 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -1.091 -5.160 -2.979 1.00 0.00 C ATOM 0 H VAL A 86 -4.150 -6.630 -4.571 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.577 -5.499 -5.419 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.372 -6.871 -2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.057 -7.594 -2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.780 -8.465 -3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.386 -7.154 -4.111 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.694 -5.289 -1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.308 -4.771 -3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.924 -4.457 -2.953 1.00 0.00 H new ATOM 1375 N PHE A 87 -0.891 -7.583 -6.508 1.00 0.00 N ATOM 1376 CA PHE A 87 -0.549 -8.724 -7.316 1.00 0.00 C ATOM 1377 C PHE A 87 0.934 -8.989 -7.231 1.00 0.00 C ATOM 1378 O PHE A 87 1.733 -8.060 -7.101 1.00 0.00 O ATOM 1379 CB PHE A 87 -1.008 -8.543 -8.773 1.00 0.00 C ATOM 1380 CG PHE A 87 -0.816 -7.155 -9.329 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -1.655 -6.122 -8.941 1.00 0.00 C ATOM 1382 CD2 PHE A 87 0.188 -6.887 -10.242 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -1.497 -4.855 -9.444 1.00 0.00 C ATOM 1384 CE2 PHE A 87 0.352 -5.615 -10.755 1.00 0.00 C ATOM 1385 CZ PHE A 87 -0.493 -4.596 -10.352 1.00 0.00 C ATOM 0 H PHE A 87 -0.237 -6.805 -6.587 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.078 -9.594 -6.926 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.464 -9.249 -9.401 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.064 -8.804 -8.841 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.446 -6.317 -8.232 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.850 -7.680 -10.557 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.159 -4.062 -9.129 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.138 -5.416 -11.469 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.366 -3.599 -10.748 1.00 0.00 H new ATOM 1395 N GLN A 88 1.312 -10.251 -7.285 1.00 0.00 N ATOM 1396 CA GLN A 88 2.704 -10.621 -7.157 1.00 0.00 C ATOM 1397 C GLN A 88 3.208 -11.190 -8.461 1.00 0.00 C ATOM 1398 O GLN A 88 2.739 -12.236 -8.920 1.00 0.00 O ATOM 1399 CB GLN A 88 2.912 -11.643 -6.035 1.00 0.00 C ATOM 1400 CG GLN A 88 1.948 -11.507 -4.864 1.00 0.00 C ATOM 1401 CD GLN A 88 2.472 -12.139 -3.590 1.00 0.00 C ATOM 1402 OE1 GLN A 88 1.711 -12.723 -2.822 1.00 0.00 O ATOM 1403 NE2 GLN A 88 3.756 -11.969 -3.321 1.00 0.00 N ATOM 0 H GLN A 88 0.674 -11.036 -7.417 1.00 0.00 H new ATOM 0 HA GLN A 88 3.266 -9.722 -6.906 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.816 -12.645 -6.453 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.932 -11.550 -5.661 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.750 -10.450 -4.684 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.997 -11.969 -5.128 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.355 -11.478 -3.985 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.147 -12.329 -2.450 1.00 0.00 H new