USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=16 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 25 GLN : amide:sc= -0.392 K(o=-1.8,f=-3) USER MOD Set 1.2: A 88 GLN : amide:sc= -1.39 K(o=-1.8,f=-3.3) USER MOD Single : A 17 HIS : no HD1:sc= -0.105 X(o=-0.11,f=0) USER MOD Single : A 19 ASN : amide:sc= -3.27! C(o=-3.3!,f=-7.5!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 84:sc= 1.24 USER MOD Single : A 31 GLN : amide:sc= -4.18! C(o=-4.2!,f=-7.4!) USER MOD Single : A 33 LYS NZ :NH3+ -126:sc= -0.467 (180deg=-1.9!) USER MOD Single : A 35 LYS NZ :NH3+ 170:sc=-0.00508 (180deg=-0.109) USER MOD Single : A 37 HIS : no HD1:sc= -0.0904 X(o=-0.09,f=-0.0012) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.348 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -125:sc= -0.449 (180deg=-2.61!) USER MOD Single : A 45 LYS NZ :NH3+ -118:sc= 0.666 (180deg=-0.3) USER MOD Single : A 47 TYR OH : rot 2:sc= 1.14 USER MOD Single : A 48 CYS SG : rot -21:sc= -0.928 USER MOD Single : A 51 GLN : amide:sc= -4.25! C(o=-4.3!,f=-7.6!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 164:sc= -3.1! (180deg=-4.04!) USER MOD Single : A 57 GLN : amide:sc= -1.28 X(o=-1.3,f=-1.4) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 68 ASN :FLIP amide:sc= -1.86! C(o=-4.5!,f=-1.9!) USER MOD Single : A 70 THR OG1 : rot -48:sc= 1.01 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.535 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl -177:sc= -0.583 (180deg=-0.609) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -2.898 12.663 8.014 1.00 0.00 N ATOM 243 CA HIS A 17 -2.746 11.279 7.623 1.00 0.00 C ATOM 244 C HIS A 17 -4.075 10.736 7.168 1.00 0.00 C ATOM 245 O HIS A 17 -5.124 11.193 7.611 1.00 0.00 O ATOM 246 CB HIS A 17 -2.147 10.411 8.759 1.00 0.00 C ATOM 247 CG HIS A 17 -3.092 10.068 9.880 1.00 0.00 C ATOM 248 ND1 HIS A 17 -3.108 10.743 11.069 1.00 0.00 N ATOM 249 CD2 HIS A 17 -4.039 9.095 9.991 1.00 0.00 C ATOM 250 CE1 HIS A 17 -4.009 10.218 11.861 1.00 0.00 C ATOM 251 NE2 HIS A 17 -4.594 9.219 11.239 1.00 0.00 N ATOM 0 HA HIS A 17 -2.037 11.236 6.796 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.774 9.483 8.325 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.288 10.935 9.179 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.302 8.365 9.240 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.235 10.552 12.863 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.337 8.634 11.621 1.00 0.00 H new ATOM 260 N ILE A 18 -4.044 9.773 6.292 1.00 0.00 N ATOM 261 CA ILE A 18 -5.257 9.200 5.771 1.00 0.00 C ATOM 262 C ILE A 18 -5.210 7.695 5.842 1.00 0.00 C ATOM 263 O ILE A 18 -4.136 7.090 5.943 1.00 0.00 O ATOM 264 CB ILE A 18 -5.520 9.628 4.310 1.00 0.00 C ATOM 265 CG1 ILE A 18 -4.326 9.279 3.417 1.00 0.00 C ATOM 266 CG2 ILE A 18 -5.835 11.115 4.232 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.551 9.593 1.956 1.00 0.00 C ATOM 0 H ILE A 18 -3.187 9.364 5.920 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.071 9.574 6.392 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.387 9.077 3.947 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.450 9.825 3.767 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.103 8.217 3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.017 11.394 3.194 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.723 11.331 4.827 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.991 11.686 4.619 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.664 9.320 1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.407 9.027 1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.744 10.659 1.839 1.00 0.00 H new ATOM 279 N ASN A 19 -6.366 7.087 5.806 1.00 0.00 N ATOM 280 CA ASN A 19 -6.460 5.649 5.823 1.00 0.00 C ATOM 281 C ASN A 19 -6.529 5.164 4.396 1.00 0.00 C ATOM 282 O ASN A 19 -7.344 5.634 3.618 1.00 0.00 O ATOM 283 CB ASN A 19 -7.709 5.176 6.586 1.00 0.00 C ATOM 284 CG ASN A 19 -8.230 6.193 7.591 1.00 0.00 C ATOM 285 OD1 ASN A 19 -7.813 6.230 8.737 1.00 0.00 O ATOM 286 ND2 ASN A 19 -9.158 7.009 7.160 1.00 0.00 N ATOM 0 H ASN A 19 -7.264 7.569 5.764 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.586 5.242 6.332 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.498 4.949 5.869 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.476 4.248 7.108 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.557 7.705 7.789 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.482 6.949 6.195 1.00 0.00 H new ATOM 293 N LEU A 20 -5.677 4.258 4.043 1.00 0.00 N ATOM 294 CA LEU A 20 -5.647 3.727 2.704 1.00 0.00 C ATOM 295 C LEU A 20 -5.732 2.229 2.757 1.00 0.00 C ATOM 296 O LEU A 20 -4.952 1.572 3.447 1.00 0.00 O ATOM 297 CB LEU A 20 -4.378 4.170 1.995 1.00 0.00 C ATOM 298 CG LEU A 20 -4.255 5.673 1.769 1.00 0.00 C ATOM 299 CD1 LEU A 20 -2.886 6.020 1.240 1.00 0.00 C ATOM 300 CD2 LEU A 20 -5.335 6.157 0.815 1.00 0.00 C ATOM 0 H LEU A 20 -4.978 3.859 4.670 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.501 4.107 2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.519 3.834 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.325 3.667 1.029 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.389 6.177 2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.818 7.097 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.128 5.708 1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.721 5.506 0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.233 7.232 0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.231 5.645 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.317 5.941 1.237 1.00 0.00 H new ATOM 312 N LYS A 21 -6.681 1.677 2.059 1.00 0.00 N ATOM 313 CA LYS A 21 -6.883 0.256 2.076 1.00 0.00 C ATOM 314 C LYS A 21 -6.420 -0.377 0.787 1.00 0.00 C ATOM 315 O LYS A 21 -6.615 0.159 -0.289 1.00 0.00 O ATOM 316 CB LYS A 21 -8.342 -0.065 2.355 1.00 0.00 C ATOM 317 CG LYS A 21 -8.687 -1.537 2.250 1.00 0.00 C ATOM 318 CD LYS A 21 -9.939 -1.859 3.030 1.00 0.00 C ATOM 319 CE LYS A 21 -11.109 -1.007 2.573 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.343 -1.295 3.340 1.00 0.00 N ATOM 0 H LYS A 21 -7.332 2.193 1.467 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.280 -0.167 2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.594 0.285 3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.965 0.493 1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.827 -1.807 1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.857 -2.136 2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.185 -2.914 2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.760 -1.695 4.093 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.853 0.047 2.682 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.292 -1.183 1.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.116 -0.691 2.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.603 -2.294 3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.178 -1.103 4.349 1.00 0.00 H new ATOM 334 N VAL A 22 -5.824 -1.532 0.900 1.00 0.00 N ATOM 335 CA VAL A 22 -5.302 -2.231 -0.240 1.00 0.00 C ATOM 336 C VAL A 22 -6.080 -3.515 -0.446 1.00 0.00 C ATOM 337 O VAL A 22 -6.202 -4.328 0.464 1.00 0.00 O ATOM 338 CB VAL A 22 -3.802 -2.551 -0.075 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.251 -3.176 -1.335 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.020 -1.296 0.278 1.00 0.00 C ATOM 0 H VAL A 22 -5.687 -2.015 1.788 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.411 -1.585 -1.111 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.695 -3.265 0.742 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.192 -3.395 -1.200 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.788 -4.100 -1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.375 -2.485 -2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.965 -1.544 0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.137 -0.559 -0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.397 -0.884 1.214 1.00 0.00 H new ATOM 350 N ALA A 23 -6.583 -3.704 -1.642 1.00 0.00 N ATOM 351 CA ALA A 23 -7.401 -4.855 -1.949 1.00 0.00 C ATOM 352 C ALA A 23 -6.918 -5.535 -3.200 1.00 0.00 C ATOM 353 O ALA A 23 -6.840 -4.933 -4.267 1.00 0.00 O ATOM 354 CB ALA A 23 -8.865 -4.467 -2.085 1.00 0.00 C ATOM 0 H ALA A 23 -6.439 -3.069 -2.427 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.313 -5.556 -1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.456 -5.353 -2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.214 -4.032 -1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.975 -3.738 -2.888 1.00 0.00 H new ATOM 360 N GLY A 24 -6.585 -6.783 -3.074 1.00 0.00 N ATOM 361 CA GLY A 24 -6.113 -7.521 -4.208 1.00 0.00 C ATOM 362 C GLY A 24 -7.193 -8.378 -4.795 1.00 0.00 C ATOM 363 O GLY A 24 -8.080 -8.845 -4.075 1.00 0.00 O ATOM 0 H GLY A 24 -6.630 -7.311 -2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.744 -6.829 -4.965 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.272 -8.147 -3.911 1.00 0.00 H new ATOM 367 N GLN A 25 -7.141 -8.592 -6.103 1.00 0.00 N ATOM 368 CA GLN A 25 -8.117 -9.442 -6.782 1.00 0.00 C ATOM 369 C GLN A 25 -8.113 -10.879 -6.236 1.00 0.00 C ATOM 370 O GLN A 25 -9.045 -11.645 -6.454 1.00 0.00 O ATOM 371 CB GLN A 25 -7.933 -9.429 -8.319 1.00 0.00 C ATOM 372 CG GLN A 25 -6.484 -9.381 -8.830 1.00 0.00 C ATOM 373 CD GLN A 25 -5.572 -10.425 -8.212 1.00 0.00 C ATOM 374 OE1 GLN A 25 -5.516 -11.561 -8.662 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.806 -10.023 -7.216 1.00 0.00 N ATOM 0 H GLN A 25 -6.434 -8.189 -6.718 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.096 -9.014 -6.567 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.411 -10.319 -8.729 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.466 -8.567 -8.720 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.488 -9.513 -9.912 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.073 -8.391 -8.631 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.882 -9.067 -6.868 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.138 -10.668 -6.794 1.00 0.00 H new ATOM 384 N ASP A 26 -7.056 -11.228 -5.521 1.00 0.00 N ATOM 385 CA ASP A 26 -6.921 -12.540 -4.892 1.00 0.00 C ATOM 386 C ASP A 26 -7.896 -12.682 -3.723 1.00 0.00 C ATOM 387 O ASP A 26 -8.200 -13.782 -3.270 1.00 0.00 O ATOM 388 CB ASP A 26 -5.479 -12.716 -4.394 1.00 0.00 C ATOM 389 CG ASP A 26 -5.296 -13.911 -3.478 1.00 0.00 C ATOM 390 OD1 ASP A 26 -5.146 -15.042 -3.985 1.00 0.00 O ATOM 391 OD2 ASP A 26 -5.303 -13.718 -2.238 1.00 0.00 O ATOM 0 H ASP A 26 -6.262 -10.609 -5.357 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.154 -13.311 -5.627 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.817 -12.822 -5.253 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.173 -11.813 -3.866 1.00 0.00 H new ATOM 396 N GLY A 27 -8.431 -11.566 -3.276 1.00 0.00 N ATOM 397 CA GLY A 27 -9.295 -11.573 -2.115 1.00 0.00 C ATOM 398 C GLY A 27 -8.584 -11.052 -0.892 1.00 0.00 C ATOM 399 O GLY A 27 -9.198 -10.790 0.138 1.00 0.00 O ATOM 0 H GLY A 27 -8.284 -10.648 -3.696 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.176 -10.962 -2.312 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.646 -12.588 -1.928 1.00 0.00 H new ATOM 403 N SER A 28 -7.283 -10.896 -1.006 1.00 0.00 N ATOM 404 CA SER A 28 -6.471 -10.393 0.080 1.00 0.00 C ATOM 405 C SER A 28 -6.604 -8.876 0.180 1.00 0.00 C ATOM 406 O SER A 28 -6.225 -8.141 -0.736 1.00 0.00 O ATOM 407 CB SER A 28 -5.016 -10.791 -0.142 1.00 0.00 C ATOM 408 OG SER A 28 -4.867 -12.206 -0.101 1.00 0.00 O ATOM 0 H SER A 28 -6.759 -11.114 -1.853 1.00 0.00 H new ATOM 0 HA SER A 28 -6.816 -10.828 1.018 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.674 -10.413 -1.105 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.388 -10.332 0.622 1.00 0.00 H new ATOM 0 HG SER A 28 -5.073 -12.582 -0.982 1.00 0.00 H new ATOM 414 N VAL A 29 -7.160 -8.400 1.280 1.00 0.00 N ATOM 415 CA VAL A 29 -7.359 -6.979 1.469 1.00 0.00 C ATOM 416 C VAL A 29 -7.050 -6.546 2.914 1.00 0.00 C ATOM 417 O VAL A 29 -7.465 -7.191 3.879 1.00 0.00 O ATOM 418 CB VAL A 29 -8.798 -6.553 1.048 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.848 -7.434 1.691 1.00 0.00 C ATOM 420 CG2 VAL A 29 -9.057 -5.094 1.363 1.00 0.00 C ATOM 0 H VAL A 29 -7.481 -8.980 2.055 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.652 -6.463 0.819 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.868 -6.682 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.839 -7.108 1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.692 -8.469 1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.770 -7.360 2.776 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.069 -4.830 1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.947 -4.928 2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.341 -4.473 0.824 1.00 0.00 H new ATOM 430 N VAL A 30 -6.322 -5.436 3.053 1.00 0.00 N ATOM 431 CA VAL A 30 -5.895 -4.931 4.360 1.00 0.00 C ATOM 432 C VAL A 30 -5.994 -3.404 4.387 1.00 0.00 C ATOM 433 O VAL A 30 -5.847 -2.750 3.358 1.00 0.00 O ATOM 434 CB VAL A 30 -4.430 -5.347 4.688 1.00 0.00 C ATOM 435 CG1 VAL A 30 -4.059 -4.953 6.108 1.00 0.00 C ATOM 436 CG2 VAL A 30 -4.224 -6.840 4.486 1.00 0.00 C ATOM 0 H VAL A 30 -6.013 -4.864 2.267 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.555 -5.367 5.110 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.775 -4.815 3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.032 -5.254 6.313 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.150 -3.873 6.221 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.729 -5.449 6.810 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.192 -7.100 4.723 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.897 -7.392 5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.435 -7.099 3.448 1.00 0.00 H new ATOM 446 N GLN A 31 -6.245 -2.834 5.559 1.00 0.00 N ATOM 447 CA GLN A 31 -6.365 -1.387 5.696 1.00 0.00 C ATOM 448 C GLN A 31 -5.154 -0.812 6.435 1.00 0.00 C ATOM 449 O GLN A 31 -4.653 -1.410 7.396 1.00 0.00 O ATOM 450 CB GLN A 31 -7.671 -1.035 6.415 1.00 0.00 C ATOM 451 CG GLN A 31 -7.972 0.459 6.479 1.00 0.00 C ATOM 452 CD GLN A 31 -7.392 1.159 7.709 1.00 0.00 C ATOM 453 OE1 GLN A 31 -7.034 2.325 7.653 1.00 0.00 O ATOM 454 NE2 GLN A 31 -7.322 0.461 8.828 1.00 0.00 N ATOM 0 H GLN A 31 -6.370 -3.352 6.429 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.389 -0.939 4.702 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.496 -1.538 5.911 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.630 -1.429 7.431 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.578 0.937 5.582 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.053 0.602 6.468 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.629 -0.512 8.842 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.961 0.895 9.678 1.00 0.00 H new ATOM 463 N PHE A 32 -4.682 0.350 5.984 1.00 0.00 N ATOM 464 CA PHE A 32 -3.501 0.997 6.564 1.00 0.00 C ATOM 465 C PHE A 32 -3.760 2.485 6.773 1.00 0.00 C ATOM 466 O PHE A 32 -4.677 3.050 6.202 1.00 0.00 O ATOM 467 CB PHE A 32 -2.284 0.834 5.633 1.00 0.00 C ATOM 468 CG PHE A 32 -2.036 -0.576 5.171 1.00 0.00 C ATOM 469 CD1 PHE A 32 -2.763 -1.102 4.120 1.00 0.00 C ATOM 470 CD2 PHE A 32 -1.084 -1.371 5.788 1.00 0.00 C ATOM 471 CE1 PHE A 32 -2.552 -2.384 3.689 1.00 0.00 C ATOM 472 CE2 PHE A 32 -0.866 -2.663 5.359 1.00 0.00 C ATOM 473 CZ PHE A 32 -1.602 -3.170 4.307 1.00 0.00 C ATOM 0 H PHE A 32 -5.102 0.868 5.212 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.295 0.521 7.522 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.424 1.470 4.759 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.395 1.195 6.151 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.509 -0.492 3.631 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.508 -0.976 6.612 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.129 -2.780 2.866 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.122 -3.277 5.845 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.434 -4.182 3.968 1.00 0.00 H new ATOM 483 N LYS A 33 -2.937 3.120 7.580 1.00 0.00 N ATOM 484 CA LYS A 33 -3.054 4.551 7.842 1.00 0.00 C ATOM 485 C LYS A 33 -1.685 5.204 7.771 1.00 0.00 C ATOM 486 O LYS A 33 -0.835 4.980 8.633 1.00 0.00 O ATOM 487 CB LYS A 33 -3.667 4.797 9.224 1.00 0.00 C ATOM 488 CG LYS A 33 -5.178 4.791 9.247 1.00 0.00 C ATOM 489 CD LYS A 33 -5.738 4.947 10.665 1.00 0.00 C ATOM 490 CE LYS A 33 -5.371 3.774 11.570 1.00 0.00 C ATOM 491 NZ LYS A 33 -4.075 3.977 12.275 1.00 0.00 N ATOM 0 H LYS A 33 -2.169 2.667 8.075 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.705 4.988 7.085 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.302 4.033 9.911 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.314 5.758 9.599 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.552 5.600 8.620 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.542 3.859 8.815 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.360 5.871 11.102 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.823 5.038 10.616 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.161 3.627 12.306 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.317 2.863 10.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.450 3.166 12.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.623 4.847 11.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.245 4.060 13.298 1.00 0.00 H new ATOM 505 N ILE A 34 -1.463 6.009 6.747 1.00 0.00 N ATOM 506 CA ILE A 34 -0.182 6.683 6.573 1.00 0.00 C ATOM 507 C ILE A 34 -0.386 8.178 6.428 1.00 0.00 C ATOM 508 O ILE A 34 -1.509 8.648 6.224 1.00 0.00 O ATOM 509 CB ILE A 34 0.600 6.160 5.339 1.00 0.00 C ATOM 510 CG1 ILE A 34 -0.197 6.389 4.051 1.00 0.00 C ATOM 511 CG2 ILE A 34 0.948 4.684 5.506 1.00 0.00 C ATOM 512 CD1 ILE A 34 0.579 6.067 2.795 1.00 0.00 C ATOM 0 H ILE A 34 -2.151 6.214 6.022 1.00 0.00 H new ATOM 0 HA ILE A 34 0.407 6.467 7.465 1.00 0.00 H new ATOM 0 HB ILE A 34 1.531 6.722 5.264 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.099 5.777 4.078 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.519 7.430 4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.496 4.338 4.630 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.566 4.554 6.395 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.031 4.104 5.613 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.048 6.253 1.923 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.467 6.697 2.744 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.878 5.019 2.811 1.00 0.00 H new ATOM 524 N LYS A 35 0.688 8.931 6.530 1.00 0.00 N ATOM 525 CA LYS A 35 0.616 10.370 6.403 1.00 0.00 C ATOM 526 C LYS A 35 0.423 10.732 4.930 1.00 0.00 C ATOM 527 O LYS A 35 0.916 10.041 4.049 1.00 0.00 O ATOM 528 CB LYS A 35 1.894 11.005 6.977 1.00 0.00 C ATOM 529 CG LYS A 35 1.695 12.374 7.619 1.00 0.00 C ATOM 530 CD LYS A 35 1.803 13.509 6.614 1.00 0.00 C ATOM 531 CE LYS A 35 1.564 14.864 7.276 1.00 0.00 C ATOM 532 NZ LYS A 35 2.604 15.192 8.289 1.00 0.00 N ATOM 0 H LYS A 35 1.626 8.568 6.701 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.232 10.758 6.968 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.317 10.329 7.720 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.628 11.098 6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.716 12.409 8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.439 12.515 8.403 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.791 13.497 6.154 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.077 13.360 5.815 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.547 15.641 6.512 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.584 14.865 7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.499 16.183 8.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.493 14.569 9.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.548 15.054 7.875 1.00 0.00 H new ATOM 546 N ARG A 36 -0.292 11.815 4.663 1.00 0.00 N ATOM 547 CA ARG A 36 -0.592 12.225 3.289 1.00 0.00 C ATOM 548 C ARG A 36 0.682 12.623 2.516 1.00 0.00 C ATOM 549 O ARG A 36 0.685 12.697 1.291 1.00 0.00 O ATOM 550 CB ARG A 36 -1.619 13.370 3.290 1.00 0.00 C ATOM 551 CG ARG A 36 -2.103 13.779 1.905 1.00 0.00 C ATOM 552 CD ARG A 36 -3.189 14.841 1.979 1.00 0.00 C ATOM 553 NE ARG A 36 -4.425 14.330 2.587 1.00 0.00 N ATOM 554 CZ ARG A 36 -5.298 15.085 3.268 1.00 0.00 C ATOM 555 NH1 ARG A 36 -5.061 16.379 3.448 1.00 0.00 N ATOM 556 NH2 ARG A 36 -6.407 14.546 3.765 1.00 0.00 N ATOM 0 H ARG A 36 -0.679 12.431 5.378 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.022 11.368 2.770 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.479 13.070 3.889 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.177 14.238 3.779 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.263 14.158 1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.485 12.904 1.380 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.826 15.690 2.558 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.405 15.208 0.976 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.632 13.337 2.484 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.213 16.800 3.068 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.727 16.952 3.967 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.597 13.553 3.629 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.068 15.125 4.283 1.00 0.00 H new ATOM 570 N HIS A 37 1.769 12.848 3.237 1.00 0.00 N ATOM 571 CA HIS A 37 3.041 13.206 2.615 1.00 0.00 C ATOM 572 C HIS A 37 3.956 11.983 2.610 1.00 0.00 C ATOM 573 O HIS A 37 5.058 12.004 2.073 1.00 0.00 O ATOM 574 CB HIS A 37 3.697 14.364 3.384 1.00 0.00 C ATOM 575 CG HIS A 37 4.855 15.018 2.670 1.00 0.00 C ATOM 576 ND1 HIS A 37 4.708 16.116 1.854 1.00 0.00 N ATOM 577 CD2 HIS A 37 6.180 14.731 2.670 1.00 0.00 C ATOM 578 CE1 HIS A 37 5.886 16.476 1.383 1.00 0.00 C ATOM 579 NE2 HIS A 37 6.798 15.653 1.864 1.00 0.00 N ATOM 0 H HIS A 37 1.799 12.790 4.255 1.00 0.00 H new ATOM 0 HA HIS A 37 2.869 13.531 1.589 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.940 15.121 3.589 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.045 13.992 4.347 1.00 0.00 H new ATOM 0 HD2 HIS A 37 6.660 13.925 3.206 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.073 17.305 0.716 1.00 0.00 H new ATOM 0 HE2 HIS A 37 7.798 15.695 1.669 1.00 0.00 H new ATOM 588 N THR A 38 3.476 10.915 3.205 1.00 0.00 N ATOM 589 CA THR A 38 4.211 9.682 3.303 1.00 0.00 C ATOM 590 C THR A 38 3.932 8.807 2.087 1.00 0.00 C ATOM 591 O THR A 38 2.789 8.648 1.690 1.00 0.00 O ATOM 592 CB THR A 38 3.831 8.942 4.604 1.00 0.00 C ATOM 593 OG1 THR A 38 4.423 9.614 5.723 1.00 0.00 O ATOM 594 CG2 THR A 38 4.278 7.490 4.578 1.00 0.00 C ATOM 0 H THR A 38 2.553 10.881 3.638 1.00 0.00 H new ATOM 0 HA THR A 38 5.278 9.905 3.330 1.00 0.00 H new ATOM 0 HB THR A 38 2.745 8.951 4.694 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.182 9.147 6.550 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.992 7.004 5.511 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.802 6.978 3.742 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.361 7.445 4.463 1.00 0.00 H new ATOM 602 N PRO A 39 4.983 8.239 1.479 1.00 0.00 N ATOM 603 CA PRO A 39 4.849 7.414 0.278 1.00 0.00 C ATOM 604 C PRO A 39 4.069 6.132 0.530 1.00 0.00 C ATOM 605 O PRO A 39 4.077 5.576 1.639 1.00 0.00 O ATOM 606 CB PRO A 39 6.296 7.094 -0.107 1.00 0.00 C ATOM 607 CG PRO A 39 7.067 7.254 1.155 1.00 0.00 C ATOM 608 CD PRO A 39 6.380 8.342 1.924 1.00 0.00 C ATOM 0 HA PRO A 39 4.292 7.932 -0.503 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.386 6.082 -0.501 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.659 7.770 -0.881 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.082 6.324 1.724 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.104 7.518 0.948 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.472 8.194 3.000 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.803 9.322 1.700 1.00 0.00 H new ATOM 616 N LEU A 40 3.398 5.655 -0.504 1.00 0.00 N ATOM 617 CA LEU A 40 2.597 4.449 -0.426 1.00 0.00 C ATOM 618 C LEU A 40 3.458 3.221 -0.170 1.00 0.00 C ATOM 619 O LEU A 40 2.953 2.167 0.212 1.00 0.00 O ATOM 620 CB LEU A 40 1.774 4.264 -1.699 1.00 0.00 C ATOM 621 CG LEU A 40 0.827 5.418 -2.057 1.00 0.00 C ATOM 622 CD1 LEU A 40 -0.100 5.024 -3.188 1.00 0.00 C ATOM 623 CD2 LEU A 40 0.027 5.857 -0.846 1.00 0.00 C ATOM 0 H LEU A 40 3.394 6.096 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 40 1.917 4.562 0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.459 4.110 -2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.184 3.353 -1.598 1.00 0.00 H new ATOM 0 HG LEU A 40 1.436 6.259 -2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.761 5.858 -3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.489 4.768 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.696 4.162 -2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.636 6.676 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.565 5.019 -0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.707 6.192 -0.063 1.00 0.00 H new ATOM 635 N SER A 41 4.769 3.360 -0.378 1.00 0.00 N ATOM 636 CA SER A 41 5.719 2.269 -0.187 1.00 0.00 C ATOM 637 C SER A 41 5.537 1.593 1.166 1.00 0.00 C ATOM 638 O SER A 41 5.662 0.371 1.278 1.00 0.00 O ATOM 639 CB SER A 41 7.149 2.795 -0.318 1.00 0.00 C ATOM 640 OG SER A 41 7.367 3.905 0.537 1.00 0.00 O ATOM 0 H SER A 41 5.199 4.233 -0.683 1.00 0.00 H new ATOM 0 HA SER A 41 5.530 1.524 -0.960 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.855 2.001 -0.075 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.339 3.085 -1.351 1.00 0.00 H new ATOM 0 HG SER A 41 8.289 4.221 0.435 1.00 0.00 H new ATOM 646 N LYS A 42 5.230 2.382 2.191 1.00 0.00 N ATOM 647 CA LYS A 42 5.026 1.847 3.529 1.00 0.00 C ATOM 648 C LYS A 42 3.925 0.798 3.541 1.00 0.00 C ATOM 649 O LYS A 42 4.127 -0.320 4.001 1.00 0.00 O ATOM 650 CB LYS A 42 4.695 2.970 4.521 1.00 0.00 C ATOM 651 CG LYS A 42 5.801 4.017 4.701 1.00 0.00 C ATOM 652 CD LYS A 42 6.901 3.568 5.679 1.00 0.00 C ATOM 653 CE LYS A 42 7.762 2.438 5.122 1.00 0.00 C ATOM 654 NZ LYS A 42 8.971 2.203 5.944 1.00 0.00 N ATOM 0 H LYS A 42 5.118 3.393 2.119 1.00 0.00 H new ATOM 0 HA LYS A 42 5.956 1.370 3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.788 3.474 4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.474 2.525 5.491 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.250 4.233 3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.359 4.946 5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.538 4.420 5.918 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.441 3.242 6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.172 1.523 5.075 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.059 2.678 4.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.527 1.428 5.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.548 3.068 5.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.689 1.948 6.912 1.00 0.00 H new ATOM 668 N LEU A 43 2.764 1.144 3.007 1.00 0.00 N ATOM 669 CA LEU A 43 1.656 0.209 2.974 1.00 0.00 C ATOM 670 C LEU A 43 1.869 -0.862 1.925 1.00 0.00 C ATOM 671 O LEU A 43 1.434 -1.989 2.089 1.00 0.00 O ATOM 672 CB LEU A 43 0.295 0.922 2.796 1.00 0.00 C ATOM 673 CG LEU A 43 0.090 1.789 1.536 1.00 0.00 C ATOM 674 CD1 LEU A 43 -0.148 0.937 0.296 1.00 0.00 C ATOM 675 CD2 LEU A 43 -1.076 2.719 1.744 1.00 0.00 C ATOM 0 H LEU A 43 2.568 2.056 2.595 1.00 0.00 H new ATOM 0 HA LEU A 43 1.625 -0.284 3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.485 0.160 2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.134 1.556 3.668 1.00 0.00 H new ATOM 0 HG LEU A 43 1.002 2.365 1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.288 1.585 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.713 0.289 0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.039 0.326 0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.218 3.330 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.978 2.136 1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.878 3.366 2.599 1.00 0.00 H new ATOM 687 N MET A 44 2.545 -0.506 0.837 1.00 0.00 N ATOM 688 CA MET A 44 2.808 -1.453 -0.236 1.00 0.00 C ATOM 689 C MET A 44 3.632 -2.626 0.260 1.00 0.00 C ATOM 690 O MET A 44 3.237 -3.787 0.122 1.00 0.00 O ATOM 691 CB MET A 44 3.547 -0.776 -1.379 1.00 0.00 C ATOM 692 CG MET A 44 2.706 0.161 -2.215 1.00 0.00 C ATOM 693 SD MET A 44 3.590 0.733 -3.669 1.00 0.00 S ATOM 694 CE MET A 44 2.382 1.830 -4.396 1.00 0.00 C ATOM 0 H MET A 44 2.919 0.429 0.677 1.00 0.00 H new ATOM 0 HA MET A 44 1.845 -1.819 -0.591 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.388 -0.217 -0.968 1.00 0.00 H new ATOM 0 HB3 MET A 44 3.963 -1.545 -2.029 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.792 -0.347 -2.522 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.407 1.018 -1.611 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.194 1.532 -5.428 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.453 1.776 -3.828 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.760 2.852 -4.377 1.00 0.00 H new ATOM 704 N LYS A 45 4.770 -2.328 0.860 1.00 0.00 N ATOM 705 CA LYS A 45 5.649 -3.363 1.359 1.00 0.00 C ATOM 706 C LYS A 45 5.013 -4.079 2.549 1.00 0.00 C ATOM 707 O LYS A 45 5.147 -5.286 2.699 1.00 0.00 O ATOM 708 CB LYS A 45 7.017 -2.787 1.744 1.00 0.00 C ATOM 709 CG LYS A 45 7.694 -1.989 0.639 1.00 0.00 C ATOM 710 CD LYS A 45 7.989 -2.857 -0.566 1.00 0.00 C ATOM 711 CE LYS A 45 8.620 -2.060 -1.694 1.00 0.00 C ATOM 712 NZ LYS A 45 9.953 -1.516 -1.329 1.00 0.00 N ATOM 0 H LYS A 45 5.105 -1.377 1.012 1.00 0.00 H new ATOM 0 HA LYS A 45 5.803 -4.089 0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.896 -2.146 2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.673 -3.606 2.039 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.054 -1.158 0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.622 -1.558 1.015 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.657 -3.667 -0.275 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.065 -3.316 -0.918 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.719 -2.697 -2.573 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.958 -1.238 -1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.925 -0.477 -1.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.203 -1.825 -0.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.666 -1.864 -2.001 1.00 0.00 H new ATOM 726 N ALA A 46 4.305 -3.335 3.386 1.00 0.00 N ATOM 727 CA ALA A 46 3.628 -3.916 4.539 1.00 0.00 C ATOM 728 C ALA A 46 2.566 -4.910 4.090 1.00 0.00 C ATOM 729 O ALA A 46 2.490 -6.032 4.599 1.00 0.00 O ATOM 730 CB ALA A 46 3.006 -2.830 5.396 1.00 0.00 C ATOM 0 H ALA A 46 4.184 -2.327 3.289 1.00 0.00 H new ATOM 0 HA ALA A 46 4.368 -4.447 5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.505 -3.284 6.251 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.785 -2.154 5.748 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.280 -2.271 4.805 1.00 0.00 H new ATOM 736 N TYR A 47 1.743 -4.498 3.129 1.00 0.00 N ATOM 737 CA TYR A 47 0.706 -5.345 2.569 1.00 0.00 C ATOM 738 C TYR A 47 1.287 -6.648 2.023 1.00 0.00 C ATOM 739 O TYR A 47 0.834 -7.727 2.381 1.00 0.00 O ATOM 740 CB TYR A 47 -0.070 -4.585 1.471 1.00 0.00 C ATOM 741 CG TYR A 47 -1.024 -5.440 0.658 1.00 0.00 C ATOM 742 CD1 TYR A 47 -2.326 -5.672 1.088 1.00 0.00 C ATOM 743 CD2 TYR A 47 -0.622 -6.008 -0.542 1.00 0.00 C ATOM 744 CE1 TYR A 47 -3.195 -6.450 0.345 1.00 0.00 C ATOM 745 CE2 TYR A 47 -1.480 -6.782 -1.289 1.00 0.00 C ATOM 746 CZ TYR A 47 -2.765 -7.004 -0.845 1.00 0.00 C ATOM 747 OH TYR A 47 -3.620 -7.777 -1.594 1.00 0.00 O ATOM 0 H TYR A 47 1.781 -3.565 2.719 1.00 0.00 H new ATOM 0 HA TYR A 47 0.012 -5.606 3.368 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.635 -3.778 1.938 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.647 -4.121 0.794 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.664 -5.238 2.017 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.384 -5.839 -0.897 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.203 -6.623 0.693 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.147 -7.214 -2.221 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.498 -7.809 -1.159 1.00 0.00 H new ATOM 757 N CYS A 48 2.306 -6.557 1.175 1.00 0.00 N ATOM 758 CA CYS A 48 2.899 -7.756 0.584 1.00 0.00 C ATOM 759 C CYS A 48 3.479 -8.683 1.660 1.00 0.00 C ATOM 760 O CYS A 48 3.405 -9.900 1.545 1.00 0.00 O ATOM 761 CB CYS A 48 3.973 -7.399 -0.456 1.00 0.00 C ATOM 762 SG CYS A 48 5.514 -6.745 0.230 1.00 0.00 S ATOM 0 H CYS A 48 2.735 -5.679 0.883 1.00 0.00 H new ATOM 0 HA CYS A 48 2.098 -8.290 0.072 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.202 -8.290 -1.040 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.559 -6.664 -1.146 1.00 0.00 H new ATOM 0 HG CYS A 48 5.293 -6.273 1.421 1.00 0.00 H new ATOM 768 N GLU A 49 4.027 -8.104 2.720 1.00 0.00 N ATOM 769 CA GLU A 49 4.613 -8.880 3.800 1.00 0.00 C ATOM 770 C GLU A 49 3.560 -9.664 4.568 1.00 0.00 C ATOM 771 O GLU A 49 3.751 -10.834 4.889 1.00 0.00 O ATOM 772 CB GLU A 49 5.390 -7.975 4.750 1.00 0.00 C ATOM 773 CG GLU A 49 6.670 -7.436 4.162 1.00 0.00 C ATOM 774 CD GLU A 49 7.547 -6.789 5.200 1.00 0.00 C ATOM 775 OE1 GLU A 49 7.359 -5.590 5.479 1.00 0.00 O ATOM 776 OE2 GLU A 49 8.427 -7.476 5.747 1.00 0.00 O ATOM 0 H GLU A 49 4.077 -7.094 2.853 1.00 0.00 H new ATOM 0 HA GLU A 49 5.299 -9.597 3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.755 -7.139 5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.623 -8.531 5.658 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.217 -8.248 3.682 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.433 -6.709 3.386 1.00 0.00 H new ATOM 783 N ARG A 50 2.442 -9.029 4.856 1.00 0.00 N ATOM 784 CA ARG A 50 1.383 -9.674 5.615 1.00 0.00 C ATOM 785 C ARG A 50 0.529 -10.580 4.732 1.00 0.00 C ATOM 786 O ARG A 50 -0.066 -11.542 5.208 1.00 0.00 O ATOM 787 CB ARG A 50 0.513 -8.626 6.320 1.00 0.00 C ATOM 788 CG ARG A 50 -0.020 -7.542 5.399 1.00 0.00 C ATOM 789 CD ARG A 50 -0.777 -6.476 6.164 1.00 0.00 C ATOM 790 NE ARG A 50 0.017 -5.899 7.251 1.00 0.00 N ATOM 791 CZ ARG A 50 -0.493 -5.447 8.406 1.00 0.00 C ATOM 792 NH1 ARG A 50 -1.799 -5.556 8.658 1.00 0.00 N ATOM 793 NH2 ARG A 50 0.308 -4.908 9.312 1.00 0.00 N ATOM 0 H ARG A 50 2.241 -8.069 4.578 1.00 0.00 H new ATOM 0 HA ARG A 50 1.853 -10.303 6.371 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.328 -9.129 6.797 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.097 -8.159 7.114 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.809 -7.083 4.860 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.677 -7.989 4.653 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.078 -5.684 5.478 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.691 -6.906 6.574 1.00 0.00 H new ATOM 0 HE ARG A 50 1.027 -5.837 7.121 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.417 -5.986 7.970 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.179 -5.210 9.539 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.309 -4.838 9.130 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.076 -4.563 10.192 1.00 0.00 H new ATOM 807 N GLN A 51 0.475 -10.284 3.440 1.00 0.00 N ATOM 808 CA GLN A 51 -0.331 -11.071 2.510 1.00 0.00 C ATOM 809 C GLN A 51 0.485 -12.163 1.840 1.00 0.00 C ATOM 810 O GLN A 51 -0.043 -12.958 1.068 1.00 0.00 O ATOM 811 CB GLN A 51 -0.989 -10.167 1.470 1.00 0.00 C ATOM 812 CG GLN A 51 -1.941 -9.151 2.076 1.00 0.00 C ATOM 813 CD GLN A 51 -2.956 -9.778 3.016 1.00 0.00 C ATOM 814 OE1 GLN A 51 -4.048 -10.152 2.613 1.00 0.00 O ATOM 815 NE2 GLN A 51 -2.592 -9.899 4.276 1.00 0.00 N ATOM 0 H GLN A 51 0.978 -9.507 3.011 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.114 -11.561 3.088 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.214 -9.641 0.913 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.533 -10.784 0.755 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.366 -8.401 2.619 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.467 -8.631 1.275 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.672 -9.575 4.574 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.230 -10.317 4.953 1.00 0.00 H new ATOM 824 N GLY A 52 1.774 -12.205 2.144 1.00 0.00 N ATOM 825 CA GLY A 52 2.641 -13.219 1.566 1.00 0.00 C ATOM 826 C GLY A 52 2.794 -13.040 0.076 1.00 0.00 C ATOM 827 O GLY A 52 2.746 -13.997 -0.694 1.00 0.00 O ATOM 0 H GLY A 52 2.238 -11.556 2.780 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.621 -13.173 2.040 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.233 -14.208 1.774 1.00 0.00 H new ATOM 831 N LEU A 53 2.989 -11.810 -0.334 1.00 0.00 N ATOM 832 CA LEU A 53 3.099 -11.475 -1.730 1.00 0.00 C ATOM 833 C LEU A 53 4.453 -10.859 -2.029 1.00 0.00 C ATOM 834 O LEU A 53 5.124 -10.332 -1.141 1.00 0.00 O ATOM 835 CB LEU A 53 1.988 -10.503 -2.116 1.00 0.00 C ATOM 836 CG LEU A 53 0.565 -11.050 -2.018 1.00 0.00 C ATOM 837 CD1 LEU A 53 -0.454 -9.945 -2.177 1.00 0.00 C ATOM 838 CD2 LEU A 53 0.331 -12.146 -3.042 1.00 0.00 C ATOM 0 H LEU A 53 3.076 -11.012 0.295 1.00 0.00 H new ATOM 0 HA LEU A 53 3.000 -12.389 -2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.064 -9.622 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.160 -10.171 -3.140 1.00 0.00 H new ATOM 0 HG LEU A 53 0.444 -11.482 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.458 -10.363 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.311 -9.203 -1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.329 -9.472 -3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.690 -12.518 -2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.483 -11.746 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.032 -12.963 -2.867 1.00 0.00 H new ATOM 850 N SER A 54 4.864 -10.938 -3.274 1.00 0.00 N ATOM 851 CA SER A 54 6.112 -10.367 -3.699 1.00 0.00 C ATOM 852 C SER A 54 5.872 -9.118 -4.530 1.00 0.00 C ATOM 853 O SER A 54 5.105 -9.135 -5.484 1.00 0.00 O ATOM 854 CB SER A 54 6.901 -11.397 -4.484 1.00 0.00 C ATOM 855 OG SER A 54 7.426 -12.393 -3.620 1.00 0.00 O ATOM 0 H SER A 54 4.340 -11.401 -4.017 1.00 0.00 H new ATOM 0 HA SER A 54 6.690 -10.077 -2.822 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.259 -11.860 -5.233 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.715 -10.908 -5.020 1.00 0.00 H new ATOM 0 HG SER A 54 7.930 -13.049 -4.145 1.00 0.00 H new ATOM 861 N MET A 55 6.551 -8.043 -4.171 1.00 0.00 N ATOM 862 CA MET A 55 6.393 -6.743 -4.828 1.00 0.00 C ATOM 863 C MET A 55 6.807 -6.786 -6.298 1.00 0.00 C ATOM 864 O MET A 55 6.383 -5.955 -7.093 1.00 0.00 O ATOM 865 CB MET A 55 7.191 -5.677 -4.067 1.00 0.00 C ATOM 866 CG MET A 55 6.695 -5.457 -2.657 1.00 0.00 C ATOM 867 SD MET A 55 5.009 -4.813 -2.617 1.00 0.00 S ATOM 868 CE MET A 55 5.253 -3.166 -3.268 1.00 0.00 C ATOM 0 H MET A 55 7.233 -8.040 -3.412 1.00 0.00 H new ATOM 0 HA MET A 55 5.335 -6.484 -4.807 1.00 0.00 H new ATOM 0 HB2 MET A 55 8.240 -5.972 -4.035 1.00 0.00 H new ATOM 0 HB3 MET A 55 7.141 -4.736 -4.614 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.735 -6.398 -2.109 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.360 -4.761 -2.145 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.293 -2.748 -3.570 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.699 -2.534 -2.500 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.917 -3.211 -4.132 1.00 0.00 H new ATOM 878 N ARG A 56 7.640 -7.751 -6.662 1.00 0.00 N ATOM 879 CA ARG A 56 8.074 -7.885 -8.053 1.00 0.00 C ATOM 880 C ARG A 56 7.045 -8.671 -8.858 1.00 0.00 C ATOM 881 O ARG A 56 6.973 -8.568 -10.080 1.00 0.00 O ATOM 882 CB ARG A 56 9.450 -8.561 -8.154 1.00 0.00 C ATOM 883 CG ARG A 56 10.520 -7.937 -7.272 1.00 0.00 C ATOM 884 CD ARG A 56 10.622 -8.653 -5.934 1.00 0.00 C ATOM 885 NE ARG A 56 11.175 -9.998 -6.081 1.00 0.00 N ATOM 886 CZ ARG A 56 11.643 -10.744 -5.076 1.00 0.00 C ATOM 887 NH1 ARG A 56 11.605 -10.288 -3.827 1.00 0.00 N ATOM 888 NH2 ARG A 56 12.148 -11.946 -5.324 1.00 0.00 N ATOM 0 H ARG A 56 8.027 -8.447 -6.025 1.00 0.00 H new ATOM 0 HA ARG A 56 8.162 -6.881 -8.468 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.345 -9.613 -7.889 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.784 -8.525 -9.191 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.483 -7.976 -7.782 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.289 -6.885 -7.107 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.250 -8.073 -5.258 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.634 -8.714 -5.478 1.00 0.00 H new ATOM 0 HE ARG A 56 11.206 -10.396 -7.019 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.217 -9.365 -3.633 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.964 -10.862 -3.064 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.178 -12.299 -6.281 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.506 -12.517 -4.558 1.00 0.00 H new ATOM 902 N GLN A 57 6.268 -9.479 -8.165 1.00 0.00 N ATOM 903 CA GLN A 57 5.229 -10.279 -8.791 1.00 0.00 C ATOM 904 C GLN A 57 3.903 -9.544 -8.795 1.00 0.00 C ATOM 905 O GLN A 57 3.205 -9.518 -9.797 1.00 0.00 O ATOM 906 CB GLN A 57 5.088 -11.639 -8.086 1.00 0.00 C ATOM 907 CG GLN A 57 6.121 -12.666 -8.512 1.00 0.00 C ATOM 908 CD GLN A 57 7.348 -12.639 -7.647 1.00 0.00 C ATOM 909 OE1 GLN A 57 7.461 -13.387 -6.686 1.00 0.00 O ATOM 910 NE2 GLN A 57 8.256 -11.758 -7.959 1.00 0.00 N ATOM 0 H GLN A 57 6.337 -9.601 -7.155 1.00 0.00 H new ATOM 0 HA GLN A 57 5.522 -10.456 -9.826 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.164 -11.488 -7.009 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.093 -12.037 -8.283 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.676 -13.661 -8.476 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.406 -12.482 -9.548 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.123 -11.153 -8.769 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.100 -11.673 -7.393 1.00 0.00 H new ATOM 919 N ILE A 58 3.544 -8.930 -7.686 1.00 0.00 N ATOM 920 CA ILE A 58 2.281 -8.231 -7.594 1.00 0.00 C ATOM 921 C ILE A 58 2.440 -6.785 -8.055 1.00 0.00 C ATOM 922 O ILE A 58 3.557 -6.290 -8.206 1.00 0.00 O ATOM 923 CB ILE A 58 1.729 -8.278 -6.144 1.00 0.00 C ATOM 924 CG1 ILE A 58 2.507 -7.316 -5.232 1.00 0.00 C ATOM 925 CG2 ILE A 58 1.837 -9.698 -5.620 1.00 0.00 C ATOM 926 CD1 ILE A 58 1.901 -7.150 -3.854 1.00 0.00 C ATOM 0 H ILE A 58 4.109 -8.901 -6.837 1.00 0.00 H new ATOM 0 HA ILE A 58 1.566 -8.730 -8.248 1.00 0.00 H new ATOM 0 HB ILE A 58 0.685 -7.965 -6.149 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.530 -7.678 -5.127 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.562 -6.340 -5.714 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.451 -9.740 -4.601 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.256 -10.366 -6.256 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.882 -10.009 -5.626 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.507 -6.456 -3.271 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.888 -6.757 -3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.871 -8.117 -3.351 1.00 0.00 H new ATOM 938 N ARG A 59 1.330 -6.109 -8.279 1.00 0.00 N ATOM 939 CA ARG A 59 1.363 -4.742 -8.755 1.00 0.00 C ATOM 940 C ARG A 59 0.231 -3.952 -8.146 1.00 0.00 C ATOM 941 O ARG A 59 -0.894 -4.445 -8.025 1.00 0.00 O ATOM 942 CB ARG A 59 1.254 -4.706 -10.287 1.00 0.00 C ATOM 943 CG ARG A 59 1.575 -3.357 -10.919 1.00 0.00 C ATOM 944 CD ARG A 59 3.030 -2.985 -10.701 1.00 0.00 C ATOM 945 NE ARG A 59 3.412 -1.778 -11.437 1.00 0.00 N ATOM 946 CZ ARG A 59 4.610 -1.194 -11.348 1.00 0.00 C ATOM 947 NH1 ARG A 59 5.549 -1.716 -10.565 1.00 0.00 N ATOM 948 NH2 ARG A 59 4.872 -0.098 -12.054 1.00 0.00 N ATOM 0 H ARG A 59 0.393 -6.486 -8.138 1.00 0.00 H new ATOM 0 HA ARG A 59 2.312 -4.296 -8.457 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.927 -5.456 -10.703 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.242 -4.993 -10.572 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.361 -3.392 -11.987 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.932 -2.589 -10.490 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.207 -2.830 -9.637 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.665 -3.814 -11.013 1.00 0.00 H new ATOM 0 HE ARG A 59 2.720 -1.357 -12.057 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.355 -2.563 -10.031 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.463 -1.269 -10.498 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.158 0.298 -12.665 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.787 0.347 -11.985 1.00 0.00 H new ATOM 962 N PHE A 60 0.528 -2.741 -7.743 1.00 0.00 N ATOM 963 CA PHE A 60 -0.464 -1.857 -7.186 1.00 0.00 C ATOM 964 C PHE A 60 -1.044 -0.972 -8.284 1.00 0.00 C ATOM 965 O PHE A 60 -0.321 -0.501 -9.171 1.00 0.00 O ATOM 966 CB PHE A 60 0.149 -1.006 -6.072 1.00 0.00 C ATOM 967 CG PHE A 60 0.227 -1.699 -4.735 1.00 0.00 C ATOM 968 CD1 PHE A 60 0.884 -2.913 -4.594 1.00 0.00 C ATOM 969 CD2 PHE A 60 -0.360 -1.131 -3.615 1.00 0.00 C ATOM 970 CE1 PHE A 60 0.947 -3.544 -3.365 1.00 0.00 C ATOM 971 CE2 PHE A 60 -0.297 -1.754 -2.389 1.00 0.00 C ATOM 972 CZ PHE A 60 0.354 -2.961 -2.262 1.00 0.00 C ATOM 0 H PHE A 60 1.465 -2.341 -7.792 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.270 -2.452 -6.756 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.153 -0.705 -6.371 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.438 -0.094 -5.962 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.351 -3.370 -5.454 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.874 -0.186 -3.706 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.459 -4.490 -3.268 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.758 -1.296 -1.526 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.401 -3.451 -1.301 1.00 0.00 H new ATOM 982 N ARG A 61 -2.336 -0.751 -8.234 1.00 0.00 N ATOM 983 CA ARG A 61 -3.014 0.041 -9.241 1.00 0.00 C ATOM 984 C ARG A 61 -4.145 0.846 -8.608 1.00 0.00 C ATOM 985 O ARG A 61 -4.812 0.384 -7.686 1.00 0.00 O ATOM 986 CB ARG A 61 -3.547 -0.878 -10.350 1.00 0.00 C ATOM 987 CG ARG A 61 -4.309 -0.172 -11.461 1.00 0.00 C ATOM 988 CD ARG A 61 -4.730 -1.150 -12.550 1.00 0.00 C ATOM 989 NE ARG A 61 -3.572 -1.763 -13.222 1.00 0.00 N ATOM 990 CZ ARG A 61 -3.542 -3.027 -13.674 1.00 0.00 C ATOM 991 NH1 ARG A 61 -4.623 -3.791 -13.595 1.00 0.00 N ATOM 992 NH2 ARG A 61 -2.443 -3.511 -14.236 1.00 0.00 N ATOM 0 H ARG A 61 -2.947 -1.111 -7.501 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.307 0.744 -9.682 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.707 -1.415 -10.791 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.201 -1.624 -9.899 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.191 0.316 -11.047 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.685 0.610 -11.893 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.351 -1.932 -12.114 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.343 -0.630 -13.287 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.738 -1.190 -13.353 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.482 -3.419 -13.190 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.596 -4.751 -13.940 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.615 -2.922 -14.327 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.426 -4.472 -14.578 1.00 0.00 H new ATOM 1006 N PHE A 62 -4.349 2.052 -9.091 1.00 0.00 N ATOM 1007 CA PHE A 62 -5.381 2.926 -8.571 1.00 0.00 C ATOM 1008 C PHE A 62 -5.841 3.874 -9.661 1.00 0.00 C ATOM 1009 O PHE A 62 -5.022 4.399 -10.402 1.00 0.00 O ATOM 1010 CB PHE A 62 -4.828 3.725 -7.378 1.00 0.00 C ATOM 1011 CG PHE A 62 -5.810 4.683 -6.756 1.00 0.00 C ATOM 1012 CD1 PHE A 62 -5.911 5.990 -7.212 1.00 0.00 C ATOM 1013 CD2 PHE A 62 -6.620 4.281 -5.715 1.00 0.00 C ATOM 1014 CE1 PHE A 62 -6.804 6.872 -6.638 1.00 0.00 C ATOM 1015 CE2 PHE A 62 -7.513 5.160 -5.135 1.00 0.00 C ATOM 1016 CZ PHE A 62 -7.606 6.457 -5.598 1.00 0.00 C ATOM 0 H PHE A 62 -3.806 2.455 -9.854 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.229 2.328 -8.237 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.490 3.025 -6.614 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.953 4.285 -7.707 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.283 6.321 -8.026 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.555 3.267 -5.349 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.874 7.886 -7.004 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.139 4.832 -4.318 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.306 7.144 -5.146 1.00 0.00 H new ATOM 1026 N ASP A 63 -7.157 4.066 -9.787 1.00 0.00 N ATOM 1027 CA ASP A 63 -7.730 5.014 -10.770 1.00 0.00 C ATOM 1028 C ASP A 63 -7.493 4.537 -12.192 1.00 0.00 C ATOM 1029 O ASP A 63 -7.474 5.321 -13.136 1.00 0.00 O ATOM 1030 CB ASP A 63 -7.117 6.406 -10.590 1.00 0.00 C ATOM 1031 CG ASP A 63 -7.962 7.507 -11.208 1.00 0.00 C ATOM 1032 OD1 ASP A 63 -9.101 7.723 -10.744 1.00 0.00 O ATOM 1033 OD2 ASP A 63 -7.493 8.159 -12.156 1.00 0.00 O ATOM 0 H ASP A 63 -7.854 3.580 -9.223 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.804 5.066 -10.593 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.989 6.607 -9.526 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.124 6.421 -11.039 1.00 0.00 H new ATOM 1038 N GLY A 64 -7.342 3.246 -12.355 1.00 0.00 N ATOM 1039 CA GLY A 64 -7.077 2.705 -13.663 1.00 0.00 C ATOM 1040 C GLY A 64 -5.636 2.883 -14.085 1.00 0.00 C ATOM 1041 O GLY A 64 -5.246 2.481 -15.180 1.00 0.00 O ATOM 0 H GLY A 64 -7.397 2.556 -11.605 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.325 1.644 -13.670 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.727 3.190 -14.391 1.00 0.00 H new ATOM 1045 N GLN A 65 -4.819 3.483 -13.225 1.00 0.00 N ATOM 1046 CA GLN A 65 -3.410 3.657 -13.538 1.00 0.00 C ATOM 1047 C GLN A 65 -2.552 2.924 -12.514 1.00 0.00 C ATOM 1048 O GLN A 65 -2.914 2.839 -11.340 1.00 0.00 O ATOM 1049 CB GLN A 65 -3.026 5.143 -13.603 1.00 0.00 C ATOM 1050 CG GLN A 65 -3.330 5.913 -12.340 1.00 0.00 C ATOM 1051 CD GLN A 65 -2.625 7.247 -12.275 1.00 0.00 C ATOM 1052 OE1 GLN A 65 -2.364 7.884 -13.296 1.00 0.00 O ATOM 1053 NE2 GLN A 65 -2.297 7.668 -11.077 1.00 0.00 N ATOM 0 H GLN A 65 -5.106 3.852 -12.318 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.228 3.229 -14.524 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.960 5.223 -13.817 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.554 5.608 -14.435 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.406 6.074 -12.270 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.040 5.313 -11.477 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.533 7.108 -10.257 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.806 8.555 -10.965 1.00 0.00 H new ATOM 1062 N PRO A 66 -1.419 2.361 -12.937 1.00 0.00 N ATOM 1063 CA PRO A 66 -0.532 1.657 -12.035 1.00 0.00 C ATOM 1064 C PRO A 66 0.275 2.630 -11.187 1.00 0.00 C ATOM 1065 O PRO A 66 0.699 3.687 -11.662 1.00 0.00 O ATOM 1066 CB PRO A 66 0.376 0.856 -12.967 1.00 0.00 C ATOM 1067 CG PRO A 66 0.390 1.619 -14.247 1.00 0.00 C ATOM 1068 CD PRO A 66 -0.914 2.375 -14.324 1.00 0.00 C ATOM 0 HA PRO A 66 -1.069 1.026 -11.326 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.380 0.762 -12.554 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.004 -0.155 -13.115 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.236 2.305 -14.278 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.496 0.945 -15.097 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.764 3.393 -14.684 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.614 1.895 -15.008 1.00 0.00 H new ATOM 1076 N ILE A 67 0.486 2.287 -9.938 1.00 0.00 N ATOM 1077 CA ILE A 67 1.217 3.155 -9.036 1.00 0.00 C ATOM 1078 C ILE A 67 2.523 2.517 -8.594 1.00 0.00 C ATOM 1079 O ILE A 67 2.710 1.299 -8.698 1.00 0.00 O ATOM 1080 CB ILE A 67 0.372 3.555 -7.803 1.00 0.00 C ATOM 1081 CG1 ILE A 67 -0.224 2.315 -7.132 1.00 0.00 C ATOM 1082 CG2 ILE A 67 -0.724 4.537 -8.207 1.00 0.00 C ATOM 1083 CD1 ILE A 67 -1.102 2.621 -5.936 1.00 0.00 C ATOM 0 H ILE A 67 0.163 1.414 -9.520 1.00 0.00 H new ATOM 0 HA ILE A 67 1.445 4.064 -9.593 1.00 0.00 H new ATOM 0 HB ILE A 67 1.023 4.048 -7.081 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.810 1.763 -7.867 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.588 1.661 -6.815 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.310 4.809 -7.329 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.271 5.432 -8.633 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.374 4.072 -8.948 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.485 1.690 -5.518 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.517 3.145 -5.180 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.937 3.249 -6.248 1.00 0.00 H new ATOM 1095 N ASN A 68 3.429 3.337 -8.119 1.00 0.00 N ATOM 1096 CA ASN A 68 4.737 2.888 -7.679 1.00 0.00 C ATOM 1097 C ASN A 68 4.969 3.250 -6.241 1.00 0.00 C ATOM 1098 O ASN A 68 4.413 4.206 -5.744 1.00 0.00 O ATOM 1099 CB ASN A 68 5.854 3.489 -8.544 1.00 0.00 C ATOM 1100 CG ASN A 68 5.623 4.940 -8.978 1.00 0.00 C ATOM 1101 OD1 ASN A 68 4.974 5.732 -8.148 1.00 0.00 O flip ATOM 1102 ND2 ASN A 68 6.048 5.338 -10.054 1.00 0.00 N flip ATOM 0 H ASN A 68 3.283 4.342 -8.024 1.00 0.00 H new ATOM 0 HA ASN A 68 4.759 1.803 -7.784 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.791 3.435 -7.990 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.975 2.873 -9.435 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.546 4.699 -10.673 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.904 6.309 -10.332 1.00 0.00 H new ATOM 1109 N GLU A 69 5.838 2.511 -5.576 1.00 0.00 N ATOM 1110 CA GLU A 69 6.124 2.741 -4.164 1.00 0.00 C ATOM 1111 C GLU A 69 6.719 4.137 -3.924 1.00 0.00 C ATOM 1112 O GLU A 69 6.848 4.587 -2.787 1.00 0.00 O ATOM 1113 CB GLU A 69 7.072 1.663 -3.634 1.00 0.00 C ATOM 1114 CG GLU A 69 8.492 1.778 -4.154 1.00 0.00 C ATOM 1115 CD GLU A 69 9.438 0.847 -3.439 1.00 0.00 C ATOM 1116 OE1 GLU A 69 9.871 1.176 -2.311 1.00 0.00 O ATOM 1117 OE2 GLU A 69 9.750 -0.225 -3.987 1.00 0.00 O ATOM 0 H GLU A 69 6.363 1.741 -5.990 1.00 0.00 H new ATOM 0 HA GLU A 69 5.180 2.687 -3.622 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.090 1.713 -2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.677 0.683 -3.901 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.505 1.557 -5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.838 2.805 -4.037 1.00 0.00 H new ATOM 1124 N THR A 70 7.068 4.828 -4.996 1.00 0.00 N ATOM 1125 CA THR A 70 7.646 6.142 -4.882 1.00 0.00 C ATOM 1126 C THR A 70 6.587 7.234 -5.065 1.00 0.00 C ATOM 1127 O THR A 70 6.915 8.423 -5.154 1.00 0.00 O ATOM 1128 CB THR A 70 8.813 6.350 -5.888 1.00 0.00 C ATOM 1129 OG1 THR A 70 9.388 7.652 -5.718 1.00 0.00 O ATOM 1130 CG2 THR A 70 8.338 6.194 -7.324 1.00 0.00 C ATOM 0 H THR A 70 6.958 4.494 -5.953 1.00 0.00 H new ATOM 0 HA THR A 70 8.054 6.221 -3.874 1.00 0.00 H new ATOM 0 HB THR A 70 9.565 5.587 -5.685 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.674 8.322 -5.680 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.177 6.345 -8.003 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.932 5.192 -7.466 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.564 6.932 -7.533 1.00 0.00 H new ATOM 1138 N ASP A 71 5.312 6.855 -5.101 1.00 0.00 N ATOM 1139 CA ASP A 71 4.254 7.848 -5.242 1.00 0.00 C ATOM 1140 C ASP A 71 3.693 8.199 -3.872 1.00 0.00 C ATOM 1141 O ASP A 71 3.803 7.414 -2.915 1.00 0.00 O ATOM 1142 CB ASP A 71 3.126 7.367 -6.191 1.00 0.00 C ATOM 1143 CG ASP A 71 2.002 6.630 -5.499 1.00 0.00 C ATOM 1144 OD1 ASP A 71 1.078 7.300 -5.001 1.00 0.00 O ATOM 1145 OD2 ASP A 71 2.032 5.387 -5.480 1.00 0.00 O ATOM 0 H ASP A 71 4.992 5.889 -5.036 1.00 0.00 H new ATOM 0 HA ASP A 71 4.688 8.740 -5.694 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.712 8.231 -6.711 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.559 6.715 -6.950 1.00 0.00 H new ATOM 1150 N THR A 72 3.141 9.383 -3.755 1.00 0.00 N ATOM 1151 CA THR A 72 2.569 9.833 -2.510 1.00 0.00 C ATOM 1152 C THR A 72 1.079 10.075 -2.665 1.00 0.00 C ATOM 1153 O THR A 72 0.624 10.507 -3.726 1.00 0.00 O ATOM 1154 CB THR A 72 3.250 11.129 -2.022 1.00 0.00 C ATOM 1155 OG1 THR A 72 3.254 12.106 -3.075 1.00 0.00 O ATOM 1156 CG2 THR A 72 4.678 10.858 -1.583 1.00 0.00 C ATOM 0 H THR A 72 3.076 10.058 -4.517 1.00 0.00 H new ATOM 0 HA THR A 72 2.733 9.050 -1.770 1.00 0.00 H new ATOM 0 HB THR A 72 2.687 11.508 -1.169 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.686 12.927 -2.758 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.137 11.787 -1.243 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.677 10.134 -0.768 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.247 10.458 -2.422 1.00 0.00 H new ATOM 1164 N PRO A 73 0.293 9.832 -1.601 1.00 0.00 N ATOM 1165 CA PRO A 73 -1.159 10.020 -1.632 1.00 0.00 C ATOM 1166 C PRO A 73 -1.545 11.464 -1.952 1.00 0.00 C ATOM 1167 O PRO A 73 -2.640 11.737 -2.435 1.00 0.00 O ATOM 1168 CB PRO A 73 -1.612 9.640 -0.216 1.00 0.00 C ATOM 1169 CG PRO A 73 -0.382 9.703 0.617 1.00 0.00 C ATOM 1170 CD PRO A 73 0.754 9.352 -0.292 1.00 0.00 C ATOM 0 HA PRO A 73 -1.629 9.418 -2.410 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.373 10.329 0.152 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.050 8.642 -0.197 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.249 10.698 1.040 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.442 9.006 1.453 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.680 9.840 0.013 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.947 8.279 -0.301 1.00 0.00 H new ATOM 1178 N ALA A 74 -0.633 12.387 -1.702 1.00 0.00 N ATOM 1179 CA ALA A 74 -0.875 13.795 -1.979 1.00 0.00 C ATOM 1180 C ALA A 74 -0.663 14.102 -3.452 1.00 0.00 C ATOM 1181 O ALA A 74 -1.108 15.124 -3.956 1.00 0.00 O ATOM 1182 CB ALA A 74 0.032 14.669 -1.130 1.00 0.00 C ATOM 0 H ALA A 74 0.286 12.187 -1.306 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.913 14.013 -1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.163 15.718 -1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.162 14.478 -0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.073 14.439 -1.355 1.00 0.00 H new ATOM 1188 N GLN A 75 0.016 13.212 -4.146 1.00 0.00 N ATOM 1189 CA GLN A 75 0.309 13.405 -5.549 1.00 0.00 C ATOM 1190 C GLN A 75 -0.917 13.058 -6.392 1.00 0.00 C ATOM 1191 O GLN A 75 -1.411 13.875 -7.172 1.00 0.00 O ATOM 1192 CB GLN A 75 1.489 12.517 -5.943 1.00 0.00 C ATOM 1193 CG GLN A 75 2.231 12.962 -7.185 1.00 0.00 C ATOM 1194 CD GLN A 75 3.478 12.130 -7.434 1.00 0.00 C ATOM 1195 OE1 GLN A 75 3.438 11.121 -8.133 1.00 0.00 O ATOM 1196 NE2 GLN A 75 4.589 12.542 -6.848 1.00 0.00 N ATOM 0 H GLN A 75 0.377 12.341 -3.756 1.00 0.00 H new ATOM 0 HA GLN A 75 0.567 14.449 -5.727 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.192 12.480 -5.111 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.125 11.501 -6.098 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.569 12.890 -8.048 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.510 14.011 -7.084 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.581 13.386 -6.275 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.455 12.016 -6.969 1.00 0.00 H new ATOM 1205 N LEU A 76 -1.424 11.850 -6.204 1.00 0.00 N ATOM 1206 CA LEU A 76 -2.577 11.374 -6.965 1.00 0.00 C ATOM 1207 C LEU A 76 -3.911 11.759 -6.302 1.00 0.00 C ATOM 1208 O LEU A 76 -4.972 11.269 -6.695 1.00 0.00 O ATOM 1209 CB LEU A 76 -2.504 9.849 -7.208 1.00 0.00 C ATOM 1210 CG LEU A 76 -2.863 8.926 -6.030 1.00 0.00 C ATOM 1211 CD1 LEU A 76 -2.816 7.477 -6.472 1.00 0.00 C ATOM 1212 CD2 LEU A 76 -1.932 9.139 -4.855 1.00 0.00 C ATOM 0 H LEU A 76 -1.057 11.177 -5.531 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.540 11.874 -7.933 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.167 9.608 -8.039 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.491 9.607 -7.529 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.874 9.174 -5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.071 6.832 -5.631 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.530 7.320 -7.280 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.812 7.236 -6.823 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.214 8.471 -4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.907 8.927 -5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.003 10.173 -4.517 1.00 0.00 H new ATOM 1224 N GLU A 77 -3.853 12.659 -5.309 1.00 0.00 N ATOM 1225 CA GLU A 77 -5.057 13.140 -4.602 1.00 0.00 C ATOM 1226 C GLU A 77 -5.842 11.986 -3.982 1.00 0.00 C ATOM 1227 O GLU A 77 -7.020 11.773 -4.282 1.00 0.00 O ATOM 1228 CB GLU A 77 -5.961 13.951 -5.542 1.00 0.00 C ATOM 1229 CG GLU A 77 -5.332 15.235 -6.046 1.00 0.00 C ATOM 1230 CD GLU A 77 -4.965 16.174 -4.919 1.00 0.00 C ATOM 1231 OE1 GLU A 77 -5.879 16.796 -4.340 1.00 0.00 O ATOM 1232 OE2 GLU A 77 -3.763 16.297 -4.612 1.00 0.00 O ATOM 0 H GLU A 77 -2.983 13.072 -4.974 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.719 13.791 -3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.229 13.330 -6.397 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.887 14.192 -5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.439 14.997 -6.624 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.025 15.736 -6.722 1.00 0.00 H new ATOM 1239 N MET A 78 -5.192 11.246 -3.117 1.00 0.00 N ATOM 1240 CA MET A 78 -5.798 10.102 -2.476 1.00 0.00 C ATOM 1241 C MET A 78 -6.590 10.528 -1.255 1.00 0.00 C ATOM 1242 O MET A 78 -6.107 11.293 -0.416 1.00 0.00 O ATOM 1243 CB MET A 78 -4.718 9.113 -2.072 1.00 0.00 C ATOM 1244 CG MET A 78 -4.977 7.692 -2.519 1.00 0.00 C ATOM 1245 SD MET A 78 -3.507 6.670 -2.387 1.00 0.00 S ATOM 1246 CE MET A 78 -4.007 5.253 -3.341 1.00 0.00 C ATOM 0 H MET A 78 -4.227 11.419 -2.837 1.00 0.00 H new ATOM 0 HA MET A 78 -6.481 9.628 -3.181 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.766 9.444 -2.486 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.616 9.127 -0.987 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.774 7.261 -1.914 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.326 7.694 -3.552 1.00 0.00 H new ATOM 0 HE1 MET A 78 -3.221 4.499 -3.312 1.00 0.00 H new ATOM 0 HE2 MET A 78 -4.924 4.838 -2.922 1.00 0.00 H new ATOM 0 HE3 MET A 78 -4.183 5.554 -4.374 1.00 0.00 H new ATOM 1256 N GLU A 79 -7.806 10.042 -1.155 1.00 0.00 N ATOM 1257 CA GLU A 79 -8.658 10.351 -0.032 1.00 0.00 C ATOM 1258 C GLU A 79 -8.593 9.238 0.995 1.00 0.00 C ATOM 1259 O GLU A 79 -8.081 8.152 0.721 1.00 0.00 O ATOM 1260 CB GLU A 79 -10.094 10.567 -0.501 1.00 0.00 C ATOM 1261 CG GLU A 79 -10.668 9.402 -1.286 1.00 0.00 C ATOM 1262 CD GLU A 79 -12.005 9.721 -1.902 1.00 0.00 C ATOM 1263 OE1 GLU A 79 -12.030 10.296 -3.008 1.00 0.00 O ATOM 1264 OE2 GLU A 79 -13.041 9.401 -1.286 1.00 0.00 O ATOM 0 H GLU A 79 -8.230 9.424 -1.847 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.307 11.272 0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.725 10.753 0.368 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.132 11.463 -1.120 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.968 9.119 -2.072 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.772 8.541 -0.626 1.00 0.00 H new ATOM 1271 N ASP A 80 -9.106 9.497 2.175 1.00 0.00 N ATOM 1272 CA ASP A 80 -9.093 8.509 3.232 1.00 0.00 C ATOM 1273 C ASP A 80 -10.158 7.459 3.000 1.00 0.00 C ATOM 1274 O ASP A 80 -11.185 7.723 2.381 1.00 0.00 O ATOM 1275 CB ASP A 80 -9.294 9.163 4.600 1.00 0.00 C ATOM 1276 CG ASP A 80 -10.569 9.973 4.682 1.00 0.00 C ATOM 1277 OD1 ASP A 80 -10.528 11.173 4.357 1.00 0.00 O ATOM 1278 OD2 ASP A 80 -11.607 9.419 5.077 1.00 0.00 O ATOM 0 H ASP A 80 -9.539 10.385 2.429 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.116 8.027 3.220 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.310 8.390 5.368 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.444 9.810 4.817 1.00 0.00 H new ATOM 1283 N GLU A 81 -9.884 6.257 3.482 1.00 0.00 N ATOM 1284 CA GLU A 81 -10.790 5.116 3.394 1.00 0.00 C ATOM 1285 C GLU A 81 -10.979 4.640 1.959 1.00 0.00 C ATOM 1286 O GLU A 81 -11.882 3.855 1.667 1.00 0.00 O ATOM 1287 CB GLU A 81 -12.137 5.423 4.052 1.00 0.00 C ATOM 1288 CG GLU A 81 -12.009 5.872 5.496 1.00 0.00 C ATOM 1289 CD GLU A 81 -13.311 5.786 6.245 1.00 0.00 C ATOM 1290 OE1 GLU A 81 -13.641 4.689 6.740 1.00 0.00 O ATOM 1291 OE2 GLU A 81 -14.008 6.814 6.355 1.00 0.00 O ATOM 0 H GLU A 81 -9.007 6.040 3.956 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.322 4.299 3.944 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.644 6.200 3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.766 4.534 4.009 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.263 5.257 5.999 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.646 6.899 5.523 1.00 0.00 H new ATOM 1298 N ASP A 82 -10.121 5.100 1.058 1.00 0.00 N ATOM 1299 CA ASP A 82 -10.191 4.667 -0.326 1.00 0.00 C ATOM 1300 C ASP A 82 -9.460 3.333 -0.476 1.00 0.00 C ATOM 1301 O ASP A 82 -8.783 2.880 0.458 1.00 0.00 O ATOM 1302 CB ASP A 82 -9.606 5.722 -1.269 1.00 0.00 C ATOM 1303 CG ASP A 82 -10.244 5.667 -2.645 1.00 0.00 C ATOM 1304 OD1 ASP A 82 -9.969 4.720 -3.394 1.00 0.00 O ATOM 1305 OD2 ASP A 82 -11.043 6.567 -2.973 1.00 0.00 O ATOM 0 H ASP A 82 -9.376 5.767 1.260 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.237 4.535 -0.602 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.752 6.713 -0.840 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.531 5.570 -1.361 1.00 0.00 H new ATOM 1310 N THR A 83 -9.571 2.705 -1.629 1.00 0.00 N ATOM 1311 CA THR A 83 -8.997 1.390 -1.820 1.00 0.00 C ATOM 1312 C THR A 83 -8.061 1.331 -3.043 1.00 0.00 C ATOM 1313 O THR A 83 -8.263 2.023 -4.037 1.00 0.00 O ATOM 1314 CB THR A 83 -10.115 0.332 -1.969 1.00 0.00 C ATOM 1315 OG1 THR A 83 -11.079 0.494 -0.912 1.00 0.00 O ATOM 1316 CG2 THR A 83 -9.548 -1.077 -1.905 1.00 0.00 C ATOM 0 H THR A 83 -10.052 3.083 -2.445 1.00 0.00 H new ATOM 0 HA THR A 83 -8.399 1.173 -0.935 1.00 0.00 H new ATOM 0 HB THR A 83 -10.589 0.477 -2.940 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.787 -0.176 -1.010 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.357 -1.800 -2.013 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.827 -1.216 -2.711 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.053 -1.227 -0.946 1.00 0.00 H new ATOM 1324 N ILE A 84 -7.036 0.494 -2.943 1.00 0.00 N ATOM 1325 CA ILE A 84 -6.078 0.281 -4.019 1.00 0.00 C ATOM 1326 C ILE A 84 -6.266 -1.118 -4.594 1.00 0.00 C ATOM 1327 O ILE A 84 -6.370 -2.087 -3.845 1.00 0.00 O ATOM 1328 CB ILE A 84 -4.602 0.424 -3.531 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -4.289 1.856 -3.098 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -3.630 -0.020 -4.611 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -4.729 2.196 -1.689 1.00 0.00 C ATOM 0 H ILE A 84 -6.845 -0.059 -2.108 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.262 1.044 -4.775 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.484 -0.225 -2.663 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.214 2.020 -3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.770 2.545 -3.792 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.608 0.089 -4.248 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.817 -1.064 -4.862 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.767 0.596 -5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.468 3.230 -1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.808 2.068 -1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.228 1.535 -0.982 1.00 0.00 H new ATOM 1343 N ASP A 85 -6.301 -1.230 -5.912 1.00 0.00 N ATOM 1344 CA ASP A 85 -6.473 -2.524 -6.565 1.00 0.00 C ATOM 1345 C ASP A 85 -5.138 -3.197 -6.812 1.00 0.00 C ATOM 1346 O ASP A 85 -4.259 -2.647 -7.475 1.00 0.00 O ATOM 1347 CB ASP A 85 -7.233 -2.382 -7.888 1.00 0.00 C ATOM 1348 CG ASP A 85 -8.730 -2.399 -7.703 1.00 0.00 C ATOM 1349 OD1 ASP A 85 -9.276 -3.471 -7.374 1.00 0.00 O ATOM 1350 OD2 ASP A 85 -9.375 -1.349 -7.893 1.00 0.00 O ATOM 0 H ASP A 85 -6.213 -0.442 -6.554 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.059 -3.148 -5.890 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.941 -1.450 -8.372 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.944 -3.193 -8.557 1.00 0.00 H new ATOM 1355 N VAL A 86 -4.970 -4.379 -6.264 1.00 0.00 N ATOM 1356 CA VAL A 86 -3.749 -5.134 -6.439 1.00 0.00 C ATOM 1357 C VAL A 86 -3.973 -6.357 -7.324 1.00 0.00 C ATOM 1358 O VAL A 86 -4.973 -7.072 -7.189 1.00 0.00 O ATOM 1359 CB VAL A 86 -3.164 -5.566 -5.076 1.00 0.00 C ATOM 1360 CG1 VAL A 86 -2.086 -6.618 -5.253 1.00 0.00 C ATOM 1361 CG2 VAL A 86 -2.605 -4.364 -4.353 1.00 0.00 C ATOM 0 H VAL A 86 -5.672 -4.843 -5.687 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.032 -4.480 -6.935 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.967 -6.003 -4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.692 -6.903 -4.277 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.510 -7.494 -5.744 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.280 -6.214 -5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.194 -4.676 -3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.817 -3.911 -4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.400 -3.636 -4.189 1.00 0.00 H new ATOM 1371 N PHE A 87 -3.021 -6.616 -8.204 1.00 0.00 N ATOM 1372 CA PHE A 87 -3.108 -7.724 -9.140 1.00 0.00 C ATOM 1373 C PHE A 87 -1.834 -8.559 -9.060 1.00 0.00 C ATOM 1374 O PHE A 87 -0.761 -8.041 -8.724 1.00 0.00 O ATOM 1375 CB PHE A 87 -3.316 -7.200 -10.572 1.00 0.00 C ATOM 1376 CG PHE A 87 -4.537 -6.329 -10.724 1.00 0.00 C ATOM 1377 CD1 PHE A 87 -4.490 -4.983 -10.394 1.00 0.00 C ATOM 1378 CD2 PHE A 87 -5.733 -6.856 -11.184 1.00 0.00 C ATOM 1379 CE1 PHE A 87 -5.607 -4.186 -10.518 1.00 0.00 C ATOM 1380 CE2 PHE A 87 -6.856 -6.059 -11.314 1.00 0.00 C ATOM 1381 CZ PHE A 87 -6.791 -4.721 -10.978 1.00 0.00 C ATOM 0 H PHE A 87 -2.167 -6.065 -8.290 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.962 -8.348 -8.877 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.435 -6.633 -10.874 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.398 -8.048 -11.252 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.566 -4.554 -10.035 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.789 -7.903 -11.444 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.555 -3.140 -10.254 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.781 -6.482 -11.677 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.666 -4.095 -11.075 1.00 0.00 H new ATOM 1391 N GLN A 88 -1.942 -9.853 -9.331 1.00 0.00 N ATOM 1392 CA GLN A 88 -0.789 -10.739 -9.281 1.00 0.00 C ATOM 1393 C GLN A 88 -0.256 -11.047 -10.675 1.00 0.00 C ATOM 1394 O GLN A 88 -0.917 -11.707 -11.483 1.00 0.00 O ATOM 1395 CB GLN A 88 -1.131 -12.052 -8.559 1.00 0.00 C ATOM 1396 CG GLN A 88 -0.924 -12.030 -7.047 1.00 0.00 C ATOM 1397 CD GLN A 88 -1.862 -11.092 -6.314 1.00 0.00 C ATOM 1398 OE1 GLN A 88 -2.953 -11.475 -5.920 1.00 0.00 O ATOM 1399 NE2 GLN A 88 -1.440 -9.861 -6.120 1.00 0.00 N ATOM 0 H GLN A 88 -2.816 -10.311 -9.588 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.013 -10.217 -8.722 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.172 -12.301 -8.764 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.522 -12.851 -8.982 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.057 -13.039 -6.657 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.105 -11.739 -6.835 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.523 -9.576 -6.463 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.030 -9.191 -5.626 1.00 0.00 H new