USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 375 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 NoAdj-H: A 392 HIS HE2 : A 392 HIS NE2 : A1001 ZNZN :(H bumps) USER MOD NoAdj-H: A 398 HIS HE2 : A 398 HIS NE2 : A1001 ZNZN :(H bumps) USER MOD Set 1.1: A 378 SER OG : rot 119:sc= 0.0561 USER MOD Set 1.2: A 408 GLN : amide:sc= 0.0791 X(o=0.14,f=0.5) USER MOD Single : A 367 SER OG : rot -11:sc= 0.446! USER MOD Single : A 369 SER OG : rot 180:sc= 0.0185 USER MOD Single : A 372 ASN : amide:sc= -0.375 X(o=-0.37,f=-0.037) USER MOD Single : A 373 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 375 LYS NZ :NH3+ 158:sc= -0.021 (180deg=-0.452) USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 381 TYR OH : rot 165:sc= 0 USER MOD Single : A 384 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 394 GLN : amide:sc= -0.899 K(o=-0.9,f=-3!) USER MOD Single : A 395 HIS : no HD1:sc= -1.55 K(o=-1.6,f=-2.1!) USER MOD Single : A 397 SER OG : rot -179:sc= -3.37! USER MOD Single : A 402 SER OG : rot 180:sc= 0 USER MOD Single : A 404 TYR OH : rot 180:sc= 0 USER MOD Single : A 412 GLN : amide:sc= -2.74 K(o=-2.7,f=-1.8) USER MOD Single : A 415 THR OG1 : rot 180:sc= 0.0394 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 10.214 -3.201 -10.256 1.00 0.00 N ATOM 2 CA GLY A 363 9.930 -3.977 -11.498 1.00 0.00 C ATOM 3 C GLY A 363 11.215 -4.107 -12.327 1.00 0.00 C ATOM 4 O GLY A 363 12.230 -3.540 -11.974 1.00 0.00 O ATOM 0 HA2 GLY A 363 9.548 -4.965 -11.242 1.00 0.00 H new ATOM 0 HA3 GLY A 363 9.157 -3.478 -12.082 1.00 0.00 H new ATOM 10 N PRO A 364 11.140 -4.852 -13.411 1.00 0.00 N ATOM 11 CA PRO A 364 12.332 -5.037 -14.276 1.00 0.00 C ATOM 12 C PRO A 364 12.622 -3.752 -15.068 1.00 0.00 C ATOM 13 O PRO A 364 13.760 -3.333 -15.176 1.00 0.00 O ATOM 14 CB PRO A 364 11.927 -6.172 -15.212 1.00 0.00 C ATOM 15 CG PRO A 364 10.433 -6.131 -15.252 1.00 0.00 C ATOM 16 CD PRO A 364 9.969 -5.581 -13.928 1.00 0.00 C ATOM 0 HA PRO A 364 13.239 -5.260 -13.713 1.00 0.00 H new ATOM 0 HB2 PRO A 364 12.352 -6.033 -16.206 1.00 0.00 H new ATOM 0 HB3 PRO A 364 12.285 -7.133 -14.844 1.00 0.00 H new ATOM 0 HG2 PRO A 364 10.087 -5.503 -16.073 1.00 0.00 H new ATOM 0 HG3 PRO A 364 10.025 -7.128 -15.419 1.00 0.00 H new ATOM 0 HD2 PRO A 364 9.110 -4.921 -14.050 1.00 0.00 H new ATOM 0 HD3 PRO A 364 9.665 -6.378 -13.250 1.00 0.00 H new ATOM 24 N LEU A 365 11.607 -3.119 -15.622 1.00 0.00 N ATOM 25 CA LEU A 365 11.838 -1.866 -16.400 1.00 0.00 C ATOM 26 C LEU A 365 10.915 -0.749 -15.888 1.00 0.00 C ATOM 27 O LEU A 365 9.824 -0.565 -16.395 1.00 0.00 O ATOM 28 CB LEU A 365 11.494 -2.228 -17.845 1.00 0.00 C ATOM 29 CG LEU A 365 12.360 -1.402 -18.798 1.00 0.00 C ATOM 30 CD1 LEU A 365 12.180 -1.917 -20.227 1.00 0.00 C ATOM 31 CD2 LEU A 365 11.936 0.066 -18.728 1.00 0.00 C ATOM 0 H LEU A 365 10.634 -3.420 -15.565 1.00 0.00 H new ATOM 0 HA LEU A 365 12.861 -1.502 -16.305 1.00 0.00 H new ATOM 0 HB2 LEU A 365 11.661 -3.292 -18.014 1.00 0.00 H new ATOM 0 HB3 LEU A 365 10.438 -2.037 -18.038 1.00 0.00 H new ATOM 0 HG LEU A 365 13.407 -1.493 -18.509 1.00 0.00 H new ATOM 0 HD11 LEU A 365 12.797 -1.329 -20.906 1.00 0.00 H new ATOM 0 HD12 LEU A 365 12.481 -2.963 -20.277 1.00 0.00 H new ATOM 0 HD13 LEU A 365 11.133 -1.827 -20.517 1.00 0.00 H new ATOM 0 HD21 LEU A 365 12.552 0.656 -19.407 1.00 0.00 H new ATOM 0 HD22 LEU A 365 10.889 0.157 -19.017 1.00 0.00 H new ATOM 0 HD23 LEU A 365 12.064 0.434 -17.710 1.00 0.00 H new ATOM 43 N GLY A 366 11.340 -0.001 -14.889 1.00 0.00 N ATOM 44 CA GLY A 366 10.478 1.095 -14.356 1.00 0.00 C ATOM 45 C GLY A 366 9.900 0.677 -12.997 1.00 0.00 C ATOM 46 O GLY A 366 9.675 -0.493 -12.753 1.00 0.00 O ATOM 0 H GLY A 366 12.243 -0.107 -14.426 1.00 0.00 H new ATOM 0 HA2 GLY A 366 11.060 2.011 -14.250 1.00 0.00 H new ATOM 0 HA3 GLY A 366 9.671 1.310 -15.056 1.00 0.00 H new ATOM 50 N SER A 367 9.659 1.619 -12.107 1.00 0.00 N ATOM 51 CA SER A 367 9.098 1.259 -10.770 1.00 0.00 C ATOM 52 C SER A 367 7.773 1.999 -10.533 1.00 0.00 C ATOM 53 O SER A 367 7.658 3.175 -10.826 1.00 0.00 O ATOM 54 CB SER A 367 10.154 1.713 -9.763 1.00 0.00 C ATOM 55 OG SER A 367 10.044 3.117 -9.568 1.00 0.00 O ATOM 0 H SER A 367 9.827 2.614 -12.253 1.00 0.00 H new ATOM 0 HA SER A 367 8.885 0.193 -10.685 1.00 0.00 H new ATOM 0 HB2 SER A 367 10.018 1.191 -8.816 1.00 0.00 H new ATOM 0 HB3 SER A 367 11.151 1.462 -10.125 1.00 0.00 H new ATOM 0 HG SER A 367 9.449 3.496 -10.248 1.00 0.00 H new ATOM 61 N GLY A 368 6.771 1.326 -10.004 1.00 0.00 N ATOM 62 CA GLY A 368 5.463 2.002 -9.753 1.00 0.00 C ATOM 63 C GLY A 368 4.324 1.148 -10.329 1.00 0.00 C ATOM 64 O GLY A 368 4.149 1.077 -11.531 1.00 0.00 O ATOM 0 H GLY A 368 6.808 0.342 -9.738 1.00 0.00 H new ATOM 0 HA2 GLY A 368 5.317 2.148 -8.683 1.00 0.00 H new ATOM 0 HA3 GLY A 368 5.459 2.990 -10.213 1.00 0.00 H new ATOM 68 N SER A 369 3.547 0.498 -9.486 1.00 0.00 N ATOM 69 CA SER A 369 2.426 -0.345 -9.999 1.00 0.00 C ATOM 70 C SER A 369 1.095 0.104 -9.375 1.00 0.00 C ATOM 71 O SER A 369 1.015 0.335 -8.183 1.00 0.00 O ATOM 72 CB SER A 369 2.769 -1.767 -9.561 1.00 0.00 C ATOM 73 OG SER A 369 3.504 -1.720 -8.345 1.00 0.00 O ATOM 0 H SER A 369 3.645 0.518 -8.471 1.00 0.00 H new ATOM 0 HA SER A 369 2.312 -0.267 -11.080 1.00 0.00 H new ATOM 0 HB2 SER A 369 1.857 -2.348 -9.426 1.00 0.00 H new ATOM 0 HB3 SER A 369 3.354 -2.267 -10.333 1.00 0.00 H new ATOM 0 HG SER A 369 3.724 -2.632 -8.060 1.00 0.00 H new ATOM 79 N GLU A 370 0.049 0.233 -10.168 1.00 0.00 N ATOM 80 CA GLU A 370 -1.267 0.668 -9.606 1.00 0.00 C ATOM 81 C GLU A 370 -2.423 -0.030 -10.342 1.00 0.00 C ATOM 82 O GLU A 370 -2.223 -0.634 -11.378 1.00 0.00 O ATOM 83 CB GLU A 370 -1.321 2.185 -9.821 1.00 0.00 C ATOM 84 CG GLU A 370 -1.165 2.514 -11.310 1.00 0.00 C ATOM 85 CD GLU A 370 0.319 2.660 -11.649 1.00 0.00 C ATOM 86 OE1 GLU A 370 0.957 3.522 -11.067 1.00 0.00 O ATOM 87 OE2 GLU A 370 0.793 1.906 -12.483 1.00 0.00 O ATOM 0 H GLU A 370 0.055 0.056 -11.172 1.00 0.00 H new ATOM 0 HA GLU A 370 -1.366 0.409 -8.552 1.00 0.00 H new ATOM 0 HB2 GLU A 370 -2.268 2.579 -9.451 1.00 0.00 H new ATOM 0 HB3 GLU A 370 -0.529 2.669 -9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 370 -1.611 1.725 -11.916 1.00 0.00 H new ATOM 0 HG3 GLU A 370 -1.695 3.436 -11.547 1.00 0.00 H new ATOM 94 N GLY A 371 -3.630 0.044 -9.816 1.00 0.00 N ATOM 95 CA GLY A 371 -4.784 -0.620 -10.491 1.00 0.00 C ATOM 96 C GLY A 371 -5.003 0.005 -11.876 1.00 0.00 C ATOM 97 O GLY A 371 -4.726 -0.614 -12.887 1.00 0.00 O ATOM 0 H GLY A 371 -3.858 0.535 -8.952 1.00 0.00 H new ATOM 0 HA2 GLY A 371 -4.594 -1.689 -10.590 1.00 0.00 H new ATOM 0 HA3 GLY A 371 -5.684 -0.511 -9.886 1.00 0.00 H new ATOM 101 N ASN A 372 -5.503 1.225 -11.938 1.00 0.00 N ATOM 102 CA ASN A 372 -5.738 1.871 -13.263 1.00 0.00 C ATOM 103 C ASN A 372 -5.336 3.354 -13.212 1.00 0.00 C ATOM 104 O ASN A 372 -6.139 4.229 -13.480 1.00 0.00 O ATOM 105 CB ASN A 372 -7.242 1.727 -13.510 1.00 0.00 C ATOM 106 CG ASN A 372 -7.544 0.312 -14.019 1.00 0.00 C ATOM 107 OD1 ASN A 372 -7.628 0.093 -15.210 1.00 0.00 O ATOM 108 ND2 ASN A 372 -7.714 -0.667 -13.164 1.00 0.00 N ATOM 0 H ASN A 372 -5.755 1.792 -11.128 1.00 0.00 H new ATOM 0 HA ASN A 372 -5.149 1.413 -14.057 1.00 0.00 H new ATOM 0 HB2 ASN A 372 -7.792 1.919 -12.589 1.00 0.00 H new ATOM 0 HB3 ASN A 372 -7.574 2.466 -14.239 1.00 0.00 H new ATOM 0 HD21 ASN A 372 -7.916 -1.609 -13.500 1.00 0.00 H new ATOM 0 HD22 ASN A 372 -7.644 -0.487 -12.162 1.00 0.00 H new ATOM 115 N LYS A 373 -4.093 3.652 -12.874 1.00 0.00 N ATOM 116 CA LYS A 373 -3.642 5.083 -12.809 1.00 0.00 C ATOM 117 C LYS A 373 -4.592 5.915 -11.929 1.00 0.00 C ATOM 118 O LYS A 373 -5.163 6.893 -12.378 1.00 0.00 O ATOM 119 CB LYS A 373 -3.669 5.577 -14.261 1.00 0.00 C ATOM 120 CG LYS A 373 -2.581 4.860 -15.064 1.00 0.00 C ATOM 121 CD LYS A 373 -3.156 3.582 -15.681 1.00 0.00 C ATOM 122 CE LYS A 373 -2.517 3.345 -17.052 1.00 0.00 C ATOM 123 NZ LYS A 373 -2.801 1.918 -17.368 1.00 0.00 N ATOM 0 H LYS A 373 -3.376 2.964 -12.642 1.00 0.00 H new ATOM 0 HA LYS A 373 -2.651 5.179 -12.366 1.00 0.00 H new ATOM 0 HB2 LYS A 373 -4.647 5.387 -14.703 1.00 0.00 H new ATOM 0 HB3 LYS A 373 -3.509 6.655 -14.293 1.00 0.00 H new ATOM 0 HG2 LYS A 373 -2.202 5.516 -15.848 1.00 0.00 H new ATOM 0 HG3 LYS A 373 -1.738 4.616 -14.417 1.00 0.00 H new ATOM 0 HD2 LYS A 373 -2.965 2.731 -15.027 1.00 0.00 H new ATOM 0 HD3 LYS A 373 -4.238 3.669 -15.782 1.00 0.00 H new ATOM 0 HE2 LYS A 373 -2.942 4.008 -17.805 1.00 0.00 H new ATOM 0 HE3 LYS A 373 -1.444 3.538 -17.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 -2.394 1.680 -18.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 -2.379 1.310 -16.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 -3.830 1.766 -17.393 1.00 0.00 H new ATOM 137 N VAL A 374 -4.765 5.538 -10.676 1.00 0.00 N ATOM 138 CA VAL A 374 -5.674 6.307 -9.781 1.00 0.00 C ATOM 139 C VAL A 374 -5.067 6.405 -8.370 1.00 0.00 C ATOM 140 O VAL A 374 -4.321 5.535 -7.957 1.00 0.00 O ATOM 141 CB VAL A 374 -6.980 5.497 -9.765 1.00 0.00 C ATOM 142 CG1 VAL A 374 -6.739 4.101 -9.167 1.00 0.00 C ATOM 143 CG2 VAL A 374 -8.027 6.244 -8.934 1.00 0.00 C ATOM 0 H VAL A 374 -4.313 4.732 -10.244 1.00 0.00 H new ATOM 0 HA VAL A 374 -5.836 7.330 -10.122 1.00 0.00 H new ATOM 0 HB VAL A 374 -7.338 5.378 -10.788 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -7.674 3.541 -9.163 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -6.000 3.570 -9.768 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -6.372 4.201 -8.146 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -8.955 5.673 -8.920 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -7.662 6.368 -7.915 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -8.210 7.224 -9.375 1.00 0.00 H new ATOM 153 N LYS A 375 -5.389 7.440 -7.618 1.00 0.00 N ATOM 154 CA LYS A 375 -4.821 7.540 -6.227 1.00 0.00 C ATOM 155 C LYS A 375 -5.473 6.445 -5.362 1.00 0.00 C ATOM 156 O LYS A 375 -6.519 6.638 -4.770 1.00 0.00 O ATOM 157 CB LYS A 375 -5.137 8.944 -5.694 1.00 0.00 C ATOM 158 CG LYS A 375 -3.928 9.851 -5.953 1.00 0.00 C ATOM 159 CD LYS A 375 -4.357 11.319 -5.944 1.00 0.00 C ATOM 160 CE LYS A 375 -3.135 12.206 -6.209 1.00 0.00 C ATOM 161 NZ LYS A 375 -2.836 12.037 -7.659 1.00 0.00 N ATOM 0 H LYS A 375 -6.006 8.203 -7.899 1.00 0.00 H new ATOM 0 HA LYS A 375 -3.741 7.392 -6.211 1.00 0.00 H new ATOM 0 HB2 LYS A 375 -6.023 9.345 -6.187 1.00 0.00 H new ATOM 0 HB3 LYS A 375 -5.357 8.903 -4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 375 -3.168 9.682 -5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 375 -3.477 9.602 -6.914 1.00 0.00 H new ATOM 0 HD2 LYS A 375 -5.118 11.492 -6.705 1.00 0.00 H new ATOM 0 HD3 LYS A 375 -4.804 11.573 -4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 375 -3.346 13.248 -5.969 1.00 0.00 H new ATOM 0 HE3 LYS A 375 -2.288 11.903 -5.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 -2.287 12.853 -7.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 -2.286 11.166 -7.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 -3.727 11.974 -8.192 1.00 0.00 H new ATOM 175 N ARG A 376 -4.846 5.290 -5.308 1.00 0.00 N ATOM 176 CA ARG A 376 -5.419 4.160 -4.506 1.00 0.00 C ATOM 177 C ARG A 376 -5.595 4.570 -3.044 1.00 0.00 C ATOM 178 O ARG A 376 -4.955 5.490 -2.570 1.00 0.00 O ATOM 179 CB ARG A 376 -4.460 2.969 -4.629 1.00 0.00 C ATOM 180 CG ARG A 376 -5.078 1.925 -5.559 1.00 0.00 C ATOM 181 CD ARG A 376 -6.278 1.261 -4.866 1.00 0.00 C ATOM 182 NE ARG A 376 -7.493 1.911 -5.454 1.00 0.00 N ATOM 183 CZ ARG A 376 -7.874 1.663 -6.698 1.00 0.00 C ATOM 184 NH1 ARG A 376 -7.204 0.835 -7.464 1.00 0.00 N ATOM 185 NH2 ARG A 376 -8.941 2.249 -7.176 1.00 0.00 N ATOM 0 H ARG A 376 -3.967 5.083 -5.782 1.00 0.00 H new ATOM 0 HA ARG A 376 -6.405 3.889 -4.883 1.00 0.00 H new ATOM 0 HB2 ARG A 376 -3.498 3.299 -5.021 1.00 0.00 H new ATOM 0 HB3 ARG A 376 -4.272 2.534 -3.647 1.00 0.00 H new ATOM 0 HG2 ARG A 376 -5.397 2.396 -6.489 1.00 0.00 H new ATOM 0 HG3 ARG A 376 -4.335 1.172 -5.822 1.00 0.00 H new ATOM 0 HD2 ARG A 376 -6.286 0.185 -5.041 1.00 0.00 H new ATOM 0 HD3 ARG A 376 -6.238 1.408 -3.787 1.00 0.00 H new ATOM 0 HE ARG A 376 -8.038 2.558 -4.884 1.00 0.00 H new ATOM 0 HH11 ARG A 376 -6.372 0.368 -7.104 1.00 0.00 H new ATOM 0 HH12 ARG A 376 -7.515 0.659 -8.419 1.00 0.00 H new ATOM 0 HH21 ARG A 376 -9.474 2.893 -6.592 1.00 0.00 H new ATOM 0 HH22 ARG A 376 -9.240 2.062 -8.133 1.00 0.00 H new ATOM 199 N THR A 377 -6.461 3.887 -2.326 1.00 0.00 N ATOM 200 CA THR A 377 -6.669 4.239 -0.891 1.00 0.00 C ATOM 201 C THR A 377 -5.468 3.726 -0.093 1.00 0.00 C ATOM 202 O THR A 377 -4.920 2.693 -0.416 1.00 0.00 O ATOM 203 CB THR A 377 -7.993 3.566 -0.472 1.00 0.00 C ATOM 204 OG1 THR A 377 -8.422 4.106 0.771 1.00 0.00 O ATOM 205 CG2 THR A 377 -7.823 2.043 -0.340 1.00 0.00 C ATOM 0 H THR A 377 -7.024 3.110 -2.672 1.00 0.00 H new ATOM 0 HA THR A 377 -6.739 5.312 -0.711 1.00 0.00 H new ATOM 0 HB THR A 377 -8.739 3.761 -1.243 1.00 0.00 H new ATOM 0 HG1 THR A 377 -9.264 3.682 1.039 1.00 0.00 H new ATOM 0 HG21 THR A 377 -8.772 1.595 -0.044 1.00 0.00 H new ATOM 0 HG22 THR A 377 -7.509 1.628 -1.298 1.00 0.00 H new ATOM 0 HG23 THR A 377 -7.068 1.825 0.415 1.00 0.00 H new ATOM 213 N SER A 378 -5.056 4.422 0.939 1.00 0.00 N ATOM 214 CA SER A 378 -3.871 3.929 1.728 1.00 0.00 C ATOM 215 C SER A 378 -4.141 2.504 2.228 1.00 0.00 C ATOM 216 O SER A 378 -5.276 2.071 2.265 1.00 0.00 O ATOM 217 CB SER A 378 -3.694 4.882 2.909 1.00 0.00 C ATOM 218 OG SER A 378 -3.131 4.175 4.007 1.00 0.00 O ATOM 0 H SER A 378 -5.475 5.292 1.268 1.00 0.00 H new ATOM 0 HA SER A 378 -2.970 3.905 1.116 1.00 0.00 H new ATOM 0 HB2 SER A 378 -3.047 5.712 2.627 1.00 0.00 H new ATOM 0 HB3 SER A 378 -4.656 5.310 3.192 1.00 0.00 H new ATOM 0 HG SER A 378 -2.267 4.572 4.243 1.00 0.00 H new ATOM 224 N CYS A 379 -3.127 1.780 2.639 1.00 0.00 N ATOM 225 CA CYS A 379 -3.366 0.387 3.168 1.00 0.00 C ATOM 226 C CYS A 379 -3.892 0.461 4.612 1.00 0.00 C ATOM 227 O CYS A 379 -3.749 1.475 5.273 1.00 0.00 O ATOM 228 CB CYS A 379 -1.996 -0.309 3.137 1.00 0.00 C ATOM 229 SG CYS A 379 -2.204 -2.102 3.164 1.00 0.00 S ATOM 0 H CYS A 379 -2.153 2.083 2.634 1.00 0.00 H new ATOM 0 HA CYS A 379 -4.104 -0.154 2.576 1.00 0.00 H new ATOM 0 HB2 CYS A 379 -1.450 -0.013 2.241 1.00 0.00 H new ATOM 0 HB3 CYS A 379 -1.400 0.008 3.993 1.00 0.00 H new ATOM 234 N MET A 380 -4.487 -0.604 5.114 1.00 0.00 N ATOM 235 CA MET A 380 -5.006 -0.571 6.534 1.00 0.00 C ATOM 236 C MET A 380 -3.859 -0.261 7.519 1.00 0.00 C ATOM 237 O MET A 380 -4.076 0.355 8.544 1.00 0.00 O ATOM 238 CB MET A 380 -5.586 -1.967 6.825 1.00 0.00 C ATOM 239 CG MET A 380 -6.744 -2.251 5.868 1.00 0.00 C ATOM 240 SD MET A 380 -7.839 -3.498 6.594 1.00 0.00 S ATOM 241 CE MET A 380 -6.833 -4.952 6.200 1.00 0.00 C ATOM 0 H MET A 380 -4.635 -1.481 4.615 1.00 0.00 H new ATOM 0 HA MET A 380 -5.762 0.205 6.653 1.00 0.00 H new ATOM 0 HB2 MET A 380 -4.811 -2.725 6.710 1.00 0.00 H new ATOM 0 HB3 MET A 380 -5.933 -2.020 7.857 1.00 0.00 H new ATOM 0 HG2 MET A 380 -7.300 -1.334 5.671 1.00 0.00 H new ATOM 0 HG3 MET A 380 -6.360 -2.603 4.910 1.00 0.00 H new ATOM 0 HE1 MET A 380 -7.332 -5.850 6.565 1.00 0.00 H new ATOM 0 HE2 MET A 380 -6.703 -5.023 5.120 1.00 0.00 H new ATOM 0 HE3 MET A 380 -5.857 -4.860 6.677 1.00 0.00 H new ATOM 251 N TYR A 381 -2.642 -0.672 7.214 1.00 0.00 N ATOM 252 CA TYR A 381 -1.497 -0.373 8.143 1.00 0.00 C ATOM 253 C TYR A 381 -0.900 1.016 7.845 1.00 0.00 C ATOM 254 O TYR A 381 -0.326 1.635 8.722 1.00 0.00 O ATOM 255 CB TYR A 381 -0.449 -1.466 7.900 1.00 0.00 C ATOM 256 CG TYR A 381 -0.915 -2.749 8.540 1.00 0.00 C ATOM 257 CD1 TYR A 381 -0.775 -2.936 9.943 1.00 0.00 C ATOM 258 CD2 TYR A 381 -1.505 -3.765 7.744 1.00 0.00 C ATOM 259 CE1 TYR A 381 -1.223 -4.141 10.546 1.00 0.00 C ATOM 260 CE2 TYR A 381 -1.958 -4.969 8.349 1.00 0.00 C ATOM 261 CZ TYR A 381 -1.816 -5.157 9.750 1.00 0.00 C ATOM 262 OH TYR A 381 -2.258 -6.326 10.336 1.00 0.00 O ATOM 0 H TYR A 381 -2.396 -1.194 6.373 1.00 0.00 H new ATOM 0 HA TYR A 381 -1.829 -0.362 9.181 1.00 0.00 H new ATOM 0 HB2 TYR A 381 -0.300 -1.612 6.830 1.00 0.00 H new ATOM 0 HB3 TYR A 381 0.512 -1.165 8.318 1.00 0.00 H new ATOM 0 HD1 TYR A 381 -0.328 -2.162 10.549 1.00 0.00 H new ATOM 0 HD2 TYR A 381 -1.610 -3.623 6.678 1.00 0.00 H new ATOM 0 HE1 TYR A 381 -1.113 -4.285 11.611 1.00 0.00 H new ATOM 0 HE2 TYR A 381 -2.410 -5.741 7.744 1.00 0.00 H new ATOM 0 HH TYR A 381 -2.844 -6.804 9.712 1.00 0.00 H new ATOM 272 N GLY A 382 -1.021 1.517 6.627 1.00 0.00 N ATOM 273 CA GLY A 382 -0.449 2.857 6.313 1.00 0.00 C ATOM 274 C GLY A 382 1.077 2.743 6.238 1.00 0.00 C ATOM 275 O GLY A 382 1.631 2.481 5.188 1.00 0.00 O ATOM 0 H GLY A 382 -1.489 1.051 5.850 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -0.846 3.223 5.366 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -0.735 3.578 7.079 1.00 0.00 H new ATOM 279 N ALA A 383 1.761 2.927 7.344 1.00 0.00 N ATOM 280 CA ALA A 383 3.250 2.818 7.324 1.00 0.00 C ATOM 281 C ALA A 383 3.740 1.498 7.953 1.00 0.00 C ATOM 282 O ALA A 383 4.932 1.256 8.002 1.00 0.00 O ATOM 283 CB ALA A 383 3.755 4.018 8.132 1.00 0.00 C ATOM 0 H ALA A 383 1.353 3.146 8.253 1.00 0.00 H new ATOM 0 HA ALA A 383 3.627 2.818 6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 383 4.845 4.005 8.161 1.00 0.00 H new ATOM 0 HB2 ALA A 383 3.416 4.941 7.663 1.00 0.00 H new ATOM 0 HB3 ALA A 383 3.364 3.963 9.148 1.00 0.00 H new ATOM 289 N ASN A 384 2.861 0.638 8.449 1.00 0.00 N ATOM 290 CA ASN A 384 3.349 -0.637 9.071 1.00 0.00 C ATOM 291 C ASN A 384 2.949 -1.880 8.248 1.00 0.00 C ATOM 292 O ASN A 384 2.984 -2.980 8.765 1.00 0.00 O ATOM 293 CB ASN A 384 2.680 -0.686 10.447 1.00 0.00 C ATOM 294 CG ASN A 384 3.360 0.316 11.383 1.00 0.00 C ATOM 295 OD1 ASN A 384 4.375 0.010 11.976 1.00 0.00 O ATOM 296 ND2 ASN A 384 2.847 1.511 11.543 1.00 0.00 N ATOM 0 H ASN A 384 1.849 0.766 8.447 1.00 0.00 H new ATOM 0 HA ASN A 384 4.438 -0.650 9.123 1.00 0.00 H new ATOM 0 HB2 ASN A 384 1.619 -0.452 10.356 1.00 0.00 H new ATOM 0 HB3 ASN A 384 2.750 -1.692 10.861 1.00 0.00 H new ATOM 0 HD21 ASN A 384 3.300 2.181 12.164 1.00 0.00 H new ATOM 0 HD22 ASN A 384 1.995 1.771 11.046 1.00 0.00 H new ATOM 303 N CYS A 385 2.559 -1.739 6.986 1.00 0.00 N ATOM 304 CA CYS A 385 2.161 -2.961 6.177 1.00 0.00 C ATOM 305 C CYS A 385 3.235 -4.063 6.304 1.00 0.00 C ATOM 306 O CYS A 385 4.417 -3.776 6.376 1.00 0.00 O ATOM 307 CB CYS A 385 2.026 -2.496 4.709 1.00 0.00 C ATOM 308 SG CYS A 385 1.206 -3.781 3.722 1.00 0.00 S ATOM 0 H CYS A 385 2.500 -0.850 6.490 1.00 0.00 H new ATOM 0 HA CYS A 385 1.223 -3.383 6.538 1.00 0.00 H new ATOM 0 HB2 CYS A 385 1.453 -1.570 4.664 1.00 0.00 H new ATOM 0 HB3 CYS A 385 3.011 -2.281 4.295 1.00 0.00 H new ATOM 313 N TYR A 386 2.831 -5.315 6.339 1.00 0.00 N ATOM 314 CA TYR A 386 3.841 -6.420 6.473 1.00 0.00 C ATOM 315 C TYR A 386 3.793 -7.416 5.286 1.00 0.00 C ATOM 316 O TYR A 386 4.820 -7.936 4.891 1.00 0.00 O ATOM 317 CB TYR A 386 3.527 -7.113 7.809 1.00 0.00 C ATOM 318 CG TYR A 386 2.219 -7.867 7.738 1.00 0.00 C ATOM 319 CD1 TYR A 386 2.178 -9.156 7.140 1.00 0.00 C ATOM 320 CD2 TYR A 386 1.038 -7.296 8.279 1.00 0.00 C ATOM 321 CE1 TYR A 386 0.953 -9.873 7.081 1.00 0.00 C ATOM 322 CE2 TYR A 386 -0.188 -8.012 8.223 1.00 0.00 C ATOM 323 CZ TYR A 386 -0.231 -9.301 7.624 1.00 0.00 C ATOM 324 OH TYR A 386 -1.422 -9.997 7.571 1.00 0.00 O ATOM 0 H TYR A 386 1.858 -5.617 6.281 1.00 0.00 H new ATOM 0 HA TYR A 386 4.855 -6.020 6.457 1.00 0.00 H new ATOM 0 HB2 TYR A 386 4.333 -7.801 8.063 1.00 0.00 H new ATOM 0 HB3 TYR A 386 3.479 -6.370 8.605 1.00 0.00 H new ATOM 0 HD1 TYR A 386 3.078 -9.590 6.731 1.00 0.00 H new ATOM 0 HD2 TYR A 386 1.071 -6.317 8.733 1.00 0.00 H new ATOM 0 HE1 TYR A 386 0.921 -10.851 6.624 1.00 0.00 H new ATOM 0 HE2 TYR A 386 -1.087 -7.577 8.635 1.00 0.00 H new ATOM 0 HH TYR A 386 -2.131 -9.464 7.987 1.00 0.00 H new ATOM 334 N ARG A 387 2.634 -7.685 4.708 1.00 0.00 N ATOM 335 CA ARG A 387 2.587 -8.647 3.546 1.00 0.00 C ATOM 336 C ARG A 387 3.193 -7.980 2.298 1.00 0.00 C ATOM 337 O ARG A 387 3.537 -6.812 2.329 1.00 0.00 O ATOM 338 CB ARG A 387 1.100 -9.005 3.314 1.00 0.00 C ATOM 339 CG ARG A 387 0.289 -7.756 2.943 1.00 0.00 C ATOM 340 CD ARG A 387 -0.844 -8.146 1.992 1.00 0.00 C ATOM 341 NE ARG A 387 -1.984 -8.540 2.878 1.00 0.00 N ATOM 342 CZ ARG A 387 -2.626 -7.648 3.616 1.00 0.00 C ATOM 343 NH1 ARG A 387 -2.273 -6.382 3.625 1.00 0.00 N ATOM 344 NH2 ARG A 387 -3.632 -8.029 4.360 1.00 0.00 N ATOM 0 H ARG A 387 1.736 -7.288 4.984 1.00 0.00 H new ATOM 0 HA ARG A 387 3.164 -9.549 3.751 1.00 0.00 H new ATOM 0 HB2 ARG A 387 1.020 -9.746 2.518 1.00 0.00 H new ATOM 0 HB3 ARG A 387 0.686 -9.459 4.215 1.00 0.00 H new ATOM 0 HG2 ARG A 387 -0.119 -7.295 3.842 1.00 0.00 H new ATOM 0 HG3 ARG A 387 0.936 -7.017 2.471 1.00 0.00 H new ATOM 0 HD2 ARG A 387 -1.118 -7.313 1.345 1.00 0.00 H new ATOM 0 HD3 ARG A 387 -0.547 -8.970 1.343 1.00 0.00 H new ATOM 0 HE ARG A 387 -2.273 -9.518 2.914 1.00 0.00 H new ATOM 0 HH11 ARG A 387 -1.488 -6.067 3.055 1.00 0.00 H new ATOM 0 HH12 ARG A 387 -2.784 -5.714 4.202 1.00 0.00 H new ATOM 0 HH21 ARG A 387 -3.917 -9.008 4.369 1.00 0.00 H new ATOM 0 HH22 ARG A 387 -4.131 -7.347 4.931 1.00 0.00 H new ATOM 358 N LYS A 388 3.342 -8.701 1.204 1.00 0.00 N ATOM 359 CA LYS A 388 3.942 -8.076 -0.019 1.00 0.00 C ATOM 360 C LYS A 388 3.555 -8.860 -1.290 1.00 0.00 C ATOM 361 O LYS A 388 4.216 -9.812 -1.662 1.00 0.00 O ATOM 362 CB LYS A 388 5.459 -8.131 0.219 1.00 0.00 C ATOM 363 CG LYS A 388 5.910 -9.588 0.430 1.00 0.00 C ATOM 364 CD LYS A 388 6.587 -9.739 1.795 1.00 0.00 C ATOM 365 CE LYS A 388 7.193 -11.140 1.909 1.00 0.00 C ATOM 366 NZ LYS A 388 6.070 -12.010 2.358 1.00 0.00 N ATOM 0 H LYS A 388 3.077 -9.681 1.109 1.00 0.00 H new ATOM 0 HA LYS A 388 3.586 -7.058 -0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 388 5.984 -7.699 -0.633 1.00 0.00 H new ATOM 0 HB3 LYS A 388 5.720 -7.532 1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 388 5.051 -10.255 0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 388 6.600 -9.881 -0.361 1.00 0.00 H new ATOM 0 HD2 LYS A 388 7.364 -8.984 1.914 1.00 0.00 H new ATOM 0 HD3 LYS A 388 5.862 -9.578 2.593 1.00 0.00 H new ATOM 0 HE2 LYS A 388 7.594 -11.476 0.953 1.00 0.00 H new ATOM 0 HE3 LYS A 388 8.016 -11.157 2.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 6.408 -12.988 2.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 5.713 -11.671 3.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 5.304 -11.979 1.655 1.00 0.00 H new ATOM 380 N ASN A 389 2.491 -8.472 -1.967 1.00 0.00 N ATOM 381 CA ASN A 389 2.085 -9.206 -3.207 1.00 0.00 C ATOM 382 C ASN A 389 2.212 -8.284 -4.430 1.00 0.00 C ATOM 383 O ASN A 389 2.263 -7.080 -4.282 1.00 0.00 O ATOM 384 CB ASN A 389 0.613 -9.584 -2.991 1.00 0.00 C ATOM 385 CG ASN A 389 0.512 -11.006 -2.425 1.00 0.00 C ATOM 386 OD1 ASN A 389 1.112 -11.309 -1.412 1.00 0.00 O ATOM 387 ND2 ASN A 389 -0.231 -11.899 -3.034 1.00 0.00 N ATOM 0 H ASN A 389 1.894 -7.685 -1.713 1.00 0.00 H new ATOM 0 HA ASN A 389 2.711 -10.080 -3.386 1.00 0.00 H new ATOM 0 HB2 ASN A 389 0.145 -8.877 -2.306 1.00 0.00 H new ATOM 0 HB3 ASN A 389 0.071 -9.520 -3.934 1.00 0.00 H new ATOM 0 HD21 ASN A 389 -0.304 -12.844 -2.657 1.00 0.00 H new ATOM 0 HD22 ASN A 389 -0.736 -11.648 -3.884 1.00 0.00 H new ATOM 394 N PRO A 390 2.238 -8.874 -5.608 1.00 0.00 N ATOM 395 CA PRO A 390 2.332 -8.060 -6.848 1.00 0.00 C ATOM 396 C PRO A 390 0.983 -7.371 -7.151 1.00 0.00 C ATOM 397 O PRO A 390 0.951 -6.340 -7.780 1.00 0.00 O ATOM 398 CB PRO A 390 2.671 -9.084 -7.928 1.00 0.00 C ATOM 399 CG PRO A 390 2.159 -10.390 -7.411 1.00 0.00 C ATOM 400 CD PRO A 390 2.186 -10.318 -5.904 1.00 0.00 C ATOM 0 HA PRO A 390 3.070 -7.261 -6.776 1.00 0.00 H new ATOM 0 HB2 PRO A 390 2.200 -8.825 -8.876 1.00 0.00 H new ATOM 0 HB3 PRO A 390 3.745 -9.126 -8.106 1.00 0.00 H new ATOM 0 HG2 PRO A 390 1.146 -10.574 -7.769 1.00 0.00 H new ATOM 0 HG3 PRO A 390 2.778 -11.214 -7.767 1.00 0.00 H new ATOM 0 HD2 PRO A 390 1.301 -10.782 -5.468 1.00 0.00 H new ATOM 0 HD3 PRO A 390 3.052 -10.839 -5.497 1.00 0.00 H new ATOM 408 N VAL A 391 -0.125 -7.928 -6.698 1.00 0.00 N ATOM 409 CA VAL A 391 -1.461 -7.286 -6.942 1.00 0.00 C ATOM 410 C VAL A 391 -1.909 -6.437 -5.730 1.00 0.00 C ATOM 411 O VAL A 391 -2.688 -5.515 -5.880 1.00 0.00 O ATOM 412 CB VAL A 391 -2.440 -8.436 -7.180 1.00 0.00 C ATOM 413 CG1 VAL A 391 -3.831 -7.870 -7.479 1.00 0.00 C ATOM 414 CG2 VAL A 391 -1.965 -9.279 -8.368 1.00 0.00 C ATOM 0 H VAL A 391 -0.158 -8.800 -6.170 1.00 0.00 H new ATOM 0 HA VAL A 391 -1.417 -6.607 -7.794 1.00 0.00 H new ATOM 0 HB VAL A 391 -2.486 -9.061 -6.288 1.00 0.00 H new ATOM 0 HG11 VAL A 391 -4.529 -8.690 -7.649 1.00 0.00 H new ATOM 0 HG12 VAL A 391 -4.171 -7.274 -6.632 1.00 0.00 H new ATOM 0 HG13 VAL A 391 -3.785 -7.243 -8.369 1.00 0.00 H new ATOM 0 HG21 VAL A 391 -2.664 -10.098 -8.536 1.00 0.00 H new ATOM 0 HG22 VAL A 391 -1.916 -8.655 -9.260 1.00 0.00 H new ATOM 0 HG23 VAL A 391 -0.976 -9.684 -8.154 1.00 0.00 H new ATOM 424 N HIS A 392 -1.441 -6.737 -4.528 1.00 0.00 N ATOM 425 CA HIS A 392 -1.864 -5.938 -3.324 1.00 0.00 C ATOM 426 C HIS A 392 -1.423 -4.473 -3.485 1.00 0.00 C ATOM 427 O HIS A 392 -2.143 -3.567 -3.106 1.00 0.00 O ATOM 428 CB HIS A 392 -1.167 -6.602 -2.113 1.00 0.00 C ATOM 429 CG HIS A 392 -1.313 -5.751 -0.884 1.00 0.00 C ATOM 430 ND1 HIS A 392 -2.393 -5.855 -0.024 1.00 0.00 N ATOM 431 CD2 HIS A 392 -0.508 -4.774 -0.367 1.00 0.00 C ATOM 432 CE1 HIS A 392 -2.205 -4.962 0.964 1.00 0.00 C ATOM 433 NE2 HIS A 392 -1.069 -4.277 0.806 1.00 0.00 N ATOM 0 H HIS A 392 -0.789 -7.497 -4.334 1.00 0.00 H new ATOM 0 HA HIS A 392 -2.946 -5.930 -3.195 1.00 0.00 H new ATOM 0 HB2 HIS A 392 -1.599 -7.586 -1.933 1.00 0.00 H new ATOM 0 HB3 HIS A 392 -0.110 -6.753 -2.333 1.00 0.00 H new ATOM 0 HD1 HIS A 392 -3.184 -6.491 -0.122 1.00 0.00 H new ATOM 0 HD2 HIS A 392 0.422 -4.439 -0.803 1.00 0.00 H new ATOM 0 HE1 HIS A 392 -2.890 -4.816 1.786 1.00 0.00 H new ATOM 441 N PHE A 393 -0.270 -4.223 -4.081 1.00 0.00 N ATOM 442 CA PHE A 393 0.159 -2.792 -4.290 1.00 0.00 C ATOM 443 C PHE A 393 -0.908 -2.055 -5.118 1.00 0.00 C ATOM 444 O PHE A 393 -1.055 -0.852 -5.011 1.00 0.00 O ATOM 445 CB PHE A 393 1.495 -2.825 -5.053 1.00 0.00 C ATOM 446 CG PHE A 393 2.628 -2.967 -4.064 1.00 0.00 C ATOM 447 CD1 PHE A 393 2.942 -1.894 -3.186 1.00 0.00 C ATOM 448 CD2 PHE A 393 3.374 -4.175 -4.008 1.00 0.00 C ATOM 449 CE1 PHE A 393 4.004 -2.031 -2.251 1.00 0.00 C ATOM 450 CE2 PHE A 393 4.435 -4.311 -3.074 1.00 0.00 C ATOM 451 CZ PHE A 393 4.750 -3.238 -2.195 1.00 0.00 C ATOM 0 H PHE A 393 0.379 -4.931 -4.425 1.00 0.00 H new ATOM 0 HA PHE A 393 0.275 -2.271 -3.340 1.00 0.00 H new ATOM 0 HB2 PHE A 393 1.505 -3.657 -5.757 1.00 0.00 H new ATOM 0 HB3 PHE A 393 1.617 -1.912 -5.636 1.00 0.00 H new ATOM 0 HD1 PHE A 393 2.375 -0.976 -3.229 1.00 0.00 H new ATOM 0 HD2 PHE A 393 3.134 -4.989 -4.676 1.00 0.00 H new ATOM 0 HE1 PHE A 393 4.244 -1.217 -1.583 1.00 0.00 H new ATOM 0 HE2 PHE A 393 5.003 -5.229 -3.031 1.00 0.00 H new ATOM 0 HZ PHE A 393 5.557 -3.341 -1.485 1.00 0.00 H new ATOM 461 N GLN A 394 -1.664 -2.768 -5.940 1.00 0.00 N ATOM 462 CA GLN A 394 -2.723 -2.078 -6.753 1.00 0.00 C ATOM 463 C GLN A 394 -4.001 -1.887 -5.920 1.00 0.00 C ATOM 464 O GLN A 394 -4.735 -0.945 -6.137 1.00 0.00 O ATOM 465 CB GLN A 394 -3.015 -2.980 -7.961 1.00 0.00 C ATOM 466 CG GLN A 394 -1.860 -2.894 -8.962 1.00 0.00 C ATOM 467 CD GLN A 394 -0.917 -4.081 -8.749 1.00 0.00 C ATOM 468 OE1 GLN A 394 -1.096 -5.120 -9.349 1.00 0.00 O ATOM 469 NE2 GLN A 394 0.100 -3.968 -7.931 1.00 0.00 N ATOM 0 H GLN A 394 -1.592 -3.776 -6.078 1.00 0.00 H new ATOM 0 HA GLN A 394 -2.384 -1.092 -7.070 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -3.148 -4.011 -7.633 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -3.946 -2.674 -8.438 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -2.246 -2.900 -9.981 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -1.319 -1.957 -8.831 1.00 0.00 H new ATOM 0 HE21 GLN A 394 0.253 -3.096 -7.425 1.00 0.00 H new ATOM 0 HE22 GLN A 394 0.739 -4.752 -7.800 1.00 0.00 H new ATOM 478 N HIS A 395 -4.298 -2.776 -4.988 1.00 0.00 N ATOM 479 CA HIS A 395 -5.562 -2.609 -4.176 1.00 0.00 C ATOM 480 C HIS A 395 -5.408 -1.497 -3.119 1.00 0.00 C ATOM 481 O HIS A 395 -6.363 -0.809 -2.806 1.00 0.00 O ATOM 482 CB HIS A 395 -5.824 -3.960 -3.489 1.00 0.00 C ATOM 483 CG HIS A 395 -6.138 -5.004 -4.529 1.00 0.00 C ATOM 484 ND1 HIS A 395 -6.821 -6.174 -4.223 1.00 0.00 N ATOM 485 CD2 HIS A 395 -5.868 -5.068 -5.872 1.00 0.00 C ATOM 486 CE1 HIS A 395 -6.936 -6.884 -5.361 1.00 0.00 C ATOM 487 NE2 HIS A 395 -6.372 -6.255 -6.396 1.00 0.00 N ATOM 0 H HIS A 395 -3.734 -3.594 -4.757 1.00 0.00 H new ATOM 0 HA HIS A 395 -6.392 -2.319 -4.821 1.00 0.00 H new ATOM 0 HB2 HIS A 395 -4.951 -4.260 -2.910 1.00 0.00 H new ATOM 0 HB3 HIS A 395 -6.654 -3.868 -2.789 1.00 0.00 H new ATOM 0 HD2 HIS A 395 -5.344 -4.312 -6.437 1.00 0.00 H new ATOM 0 HE1 HIS A 395 -7.425 -7.845 -5.429 1.00 0.00 H new ATOM 0 HE2 HIS A 395 -6.322 -6.576 -7.363 1.00 0.00 H new ATOM 496 N PHE A 396 -4.233 -1.319 -2.547 1.00 0.00 N ATOM 497 CA PHE A 396 -4.063 -0.258 -1.497 1.00 0.00 C ATOM 498 C PHE A 396 -2.748 0.509 -1.703 1.00 0.00 C ATOM 499 O PHE A 396 -1.762 -0.057 -2.136 1.00 0.00 O ATOM 500 CB PHE A 396 -3.995 -1.011 -0.165 1.00 0.00 C ATOM 501 CG PHE A 396 -5.182 -1.937 0.009 1.00 0.00 C ATOM 502 CD1 PHE A 396 -5.150 -3.247 -0.544 1.00 0.00 C ATOM 503 CD2 PHE A 396 -6.319 -1.504 0.743 1.00 0.00 C ATOM 504 CE1 PHE A 396 -6.255 -4.122 -0.361 1.00 0.00 C ATOM 505 CE2 PHE A 396 -7.425 -2.378 0.922 1.00 0.00 C ATOM 506 CZ PHE A 396 -7.392 -3.688 0.371 1.00 0.00 C ATOM 0 H PHE A 396 -3.394 -1.858 -2.760 1.00 0.00 H new ATOM 0 HA PHE A 396 -4.878 0.465 -1.535 1.00 0.00 H new ATOM 0 HB2 PHE A 396 -3.072 -1.588 -0.119 1.00 0.00 H new ATOM 0 HB3 PHE A 396 -3.966 -0.296 0.657 1.00 0.00 H new ATOM 0 HD1 PHE A 396 -4.287 -3.577 -1.103 1.00 0.00 H new ATOM 0 HD2 PHE A 396 -6.343 -0.510 1.165 1.00 0.00 H new ATOM 0 HE1 PHE A 396 -6.230 -5.118 -0.779 1.00 0.00 H new ATOM 0 HE2 PHE A 396 -8.291 -2.047 1.477 1.00 0.00 H new ATOM 0 HZ PHE A 396 -8.232 -4.353 0.509 1.00 0.00 H new ATOM 516 N SER A 397 -2.723 1.794 -1.404 1.00 0.00 N ATOM 517 CA SER A 397 -1.463 2.580 -1.592 1.00 0.00 C ATOM 518 C SER A 397 -0.610 2.586 -0.320 1.00 0.00 C ATOM 519 O SER A 397 -1.039 2.155 0.735 1.00 0.00 O ATOM 520 CB SER A 397 -1.880 4.016 -1.931 1.00 0.00 C ATOM 521 OG SER A 397 -2.586 4.026 -3.160 1.00 0.00 O ATOM 0 H SER A 397 -3.516 2.323 -1.041 1.00 0.00 H new ATOM 0 HA SER A 397 -0.863 2.132 -2.384 1.00 0.00 H new ATOM 0 HB2 SER A 397 -2.506 4.421 -1.136 1.00 0.00 H new ATOM 0 HB3 SER A 397 -1.000 4.655 -2.000 1.00 0.00 H new ATOM 0 HG SER A 397 -2.840 4.946 -3.384 1.00 0.00 H new ATOM 527 N HIS A 398 0.606 3.070 -0.429 1.00 0.00 N ATOM 528 CA HIS A 398 1.497 3.104 0.753 1.00 0.00 C ATOM 529 C HIS A 398 2.319 4.388 0.753 1.00 0.00 C ATOM 530 O HIS A 398 2.596 4.936 -0.298 1.00 0.00 O ATOM 531 CB HIS A 398 2.414 1.885 0.604 1.00 0.00 C ATOM 532 CG HIS A 398 1.604 0.613 0.577 1.00 0.00 C ATOM 533 ND1 HIS A 398 1.182 0.028 -0.609 1.00 0.00 N ATOM 534 CD2 HIS A 398 1.168 -0.218 1.579 1.00 0.00 C ATOM 535 CE1 HIS A 398 0.529 -1.108 -0.295 1.00 0.00 C ATOM 536 NE2 HIS A 398 0.491 -1.305 1.029 1.00 0.00 N ATOM 0 H HIS A 398 1.011 3.440 -1.289 1.00 0.00 H new ATOM 0 HA HIS A 398 0.938 3.079 1.688 1.00 0.00 H new ATOM 0 HB2 HIS A 398 2.997 1.971 -0.313 1.00 0.00 H new ATOM 0 HB3 HIS A 398 3.124 1.853 1.431 1.00 0.00 H new ATOM 0 HD1 HIS A 398 1.338 0.392 -1.549 1.00 0.00 H new ATOM 0 HD2 HIS A 398 1.326 -0.054 2.635 1.00 0.00 H new ATOM 0 HE1 HIS A 398 0.091 -1.777 -1.021 1.00 0.00 H new ATOM 544 N PRO A 399 2.727 4.823 1.926 1.00 0.00 N ATOM 545 CA PRO A 399 3.567 6.041 2.012 1.00 0.00 C ATOM 546 C PRO A 399 4.871 5.748 1.261 1.00 0.00 C ATOM 547 O PRO A 399 5.382 4.645 1.337 1.00 0.00 O ATOM 548 CB PRO A 399 3.771 6.235 3.518 1.00 0.00 C ATOM 549 CG PRO A 399 3.552 4.877 4.100 1.00 0.00 C ATOM 550 CD PRO A 399 2.485 4.237 3.256 1.00 0.00 C ATOM 0 HA PRO A 399 3.143 6.942 1.570 1.00 0.00 H new ATOM 0 HB2 PRO A 399 4.772 6.605 3.739 1.00 0.00 H new ATOM 0 HB3 PRO A 399 3.066 6.960 3.924 1.00 0.00 H new ATOM 0 HG2 PRO A 399 4.470 4.290 4.080 1.00 0.00 H new ATOM 0 HG3 PRO A 399 3.239 4.944 5.142 1.00 0.00 H new ATOM 0 HD2 PRO A 399 2.577 3.151 3.242 1.00 0.00 H new ATOM 0 HD3 PRO A 399 1.485 4.468 3.624 1.00 0.00 H new ATOM 558 N GLY A 400 5.404 6.686 0.514 1.00 0.00 N ATOM 559 CA GLY A 400 6.651 6.384 -0.248 1.00 0.00 C ATOM 560 C GLY A 400 6.320 5.978 -1.710 1.00 0.00 C ATOM 561 O GLY A 400 7.223 5.718 -2.483 1.00 0.00 O ATOM 0 H GLY A 400 5.035 7.630 0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 400 7.303 7.257 -0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.196 5.578 0.243 1.00 0.00 H new ATOM 565 N ASP A 401 5.056 5.971 -2.125 1.00 0.00 N ATOM 566 CA ASP A 401 4.739 5.633 -3.536 1.00 0.00 C ATOM 567 C ASP A 401 4.126 6.872 -4.186 1.00 0.00 C ATOM 568 O ASP A 401 3.614 7.731 -3.492 1.00 0.00 O ATOM 569 CB ASP A 401 3.733 4.487 -3.467 1.00 0.00 C ATOM 570 CG ASP A 401 4.480 3.152 -3.429 1.00 0.00 C ATOM 571 OD1 ASP A 401 5.300 2.977 -2.544 1.00 0.00 O ATOM 572 OD2 ASP A 401 4.216 2.326 -4.288 1.00 0.00 O ATOM 0 H ASP A 401 4.250 6.186 -1.538 1.00 0.00 H new ATOM 0 HA ASP A 401 5.609 5.337 -4.122 1.00 0.00 H new ATOM 0 HB2 ASP A 401 3.108 4.591 -2.580 1.00 0.00 H new ATOM 0 HB3 ASP A 401 3.069 4.520 -4.331 1.00 0.00 H new ATOM 577 N SER A 402 4.180 6.997 -5.491 1.00 0.00 N ATOM 578 CA SER A 402 3.594 8.229 -6.121 1.00 0.00 C ATOM 579 C SER A 402 2.084 8.324 -5.856 1.00 0.00 C ATOM 580 O SER A 402 1.541 9.413 -5.841 1.00 0.00 O ATOM 581 CB SER A 402 3.870 8.151 -7.631 1.00 0.00 C ATOM 582 OG SER A 402 3.980 9.473 -8.149 1.00 0.00 O ATOM 0 H SER A 402 4.592 6.321 -6.134 1.00 0.00 H new ATOM 0 HA SER A 402 4.050 9.121 -5.690 1.00 0.00 H new ATOM 0 HB2 SER A 402 4.789 7.595 -7.818 1.00 0.00 H new ATOM 0 HB3 SER A 402 3.065 7.615 -8.134 1.00 0.00 H new ATOM 0 HG SER A 402 4.158 9.433 -9.112 1.00 0.00 H new ATOM 588 N ASP A 403 1.376 7.217 -5.693 1.00 0.00 N ATOM 589 CA ASP A 403 -0.115 7.317 -5.492 1.00 0.00 C ATOM 590 C ASP A 403 -0.548 7.332 -4.015 1.00 0.00 C ATOM 591 O ASP A 403 -1.735 7.296 -3.751 1.00 0.00 O ATOM 592 CB ASP A 403 -0.710 6.084 -6.185 1.00 0.00 C ATOM 593 CG ASP A 403 -0.510 6.202 -7.696 1.00 0.00 C ATOM 594 OD1 ASP A 403 -1.076 7.110 -8.281 1.00 0.00 O ATOM 595 OD2 ASP A 403 0.207 5.379 -8.245 1.00 0.00 O ATOM 0 H ASP A 403 1.757 6.271 -5.691 1.00 0.00 H new ATOM 0 HA ASP A 403 -0.467 8.263 -5.904 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -0.231 5.178 -5.814 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -1.772 6.001 -5.953 1.00 0.00 H new ATOM 600 N TYR A 404 0.358 7.382 -3.044 1.00 0.00 N ATOM 601 CA TYR A 404 -0.098 7.398 -1.595 1.00 0.00 C ATOM 602 C TYR A 404 -1.204 8.454 -1.403 1.00 0.00 C ATOM 603 O TYR A 404 -1.103 9.561 -1.898 1.00 0.00 O ATOM 604 CB TYR A 404 1.129 7.754 -0.736 1.00 0.00 C ATOM 605 CG TYR A 404 0.752 7.685 0.727 1.00 0.00 C ATOM 606 CD1 TYR A 404 0.175 6.499 1.255 1.00 0.00 C ATOM 607 CD2 TYR A 404 0.971 8.805 1.577 1.00 0.00 C ATOM 608 CE1 TYR A 404 -0.184 6.431 2.628 1.00 0.00 C ATOM 609 CE2 TYR A 404 0.610 8.737 2.951 1.00 0.00 C ATOM 610 CZ TYR A 404 0.033 7.550 3.476 1.00 0.00 C ATOM 611 OH TYR A 404 -0.322 7.486 4.808 1.00 0.00 O ATOM 0 H TYR A 404 1.368 7.412 -3.186 1.00 0.00 H new ATOM 0 HA TYR A 404 -0.504 6.429 -1.305 1.00 0.00 H new ATOM 0 HB2 TYR A 404 1.947 7.064 -0.946 1.00 0.00 H new ATOM 0 HB3 TYR A 404 1.484 8.754 -0.985 1.00 0.00 H new ATOM 0 HD1 TYR A 404 0.009 5.648 0.612 1.00 0.00 H new ATOM 0 HD2 TYR A 404 1.412 9.707 1.179 1.00 0.00 H new ATOM 0 HE1 TYR A 404 -0.622 5.528 3.027 1.00 0.00 H new ATOM 0 HE2 TYR A 404 0.775 9.588 3.595 1.00 0.00 H new ATOM 0 HH TYR A 404 -0.105 8.336 5.246 1.00 0.00 H new ATOM 621 N GLY A 405 -2.261 8.110 -0.712 1.00 0.00 N ATOM 622 CA GLY A 405 -3.370 9.098 -0.529 1.00 0.00 C ATOM 623 C GLY A 405 -4.166 8.772 0.731 1.00 0.00 C ATOM 624 O GLY A 405 -5.384 8.779 0.719 1.00 0.00 O ATOM 0 H GLY A 405 -2.405 7.201 -0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 405 -2.961 10.106 -0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 405 -4.028 9.082 -1.398 1.00 0.00 H new ATOM 628 N GLY A 406 -3.493 8.480 1.817 1.00 0.00 N ATOM 629 CA GLY A 406 -4.209 8.154 3.073 1.00 0.00 C ATOM 630 C GLY A 406 -4.024 9.294 4.065 1.00 0.00 C ATOM 631 O GLY A 406 -4.984 9.868 4.537 1.00 0.00 O ATOM 0 H GLY A 406 -2.475 8.455 1.880 1.00 0.00 H new ATOM 0 HA2 GLY A 406 -5.269 8.000 2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 406 -3.826 7.224 3.493 1.00 0.00 H new ATOM 635 N VAL A 407 -2.785 9.642 4.367 1.00 0.00 N ATOM 636 CA VAL A 407 -2.495 10.758 5.313 1.00 0.00 C ATOM 637 C VAL A 407 -3.436 10.726 6.537 1.00 0.00 C ATOM 638 O VAL A 407 -4.293 11.579 6.688 1.00 0.00 O ATOM 639 CB VAL A 407 -2.696 12.016 4.469 1.00 0.00 C ATOM 640 CG1 VAL A 407 -2.469 13.259 5.325 1.00 0.00 C ATOM 641 CG2 VAL A 407 -1.690 12.011 3.312 1.00 0.00 C ATOM 0 H VAL A 407 -1.956 9.186 3.986 1.00 0.00 H new ATOM 0 HA VAL A 407 -1.492 10.700 5.735 1.00 0.00 H new ATOM 0 HB VAL A 407 -3.714 12.029 4.079 1.00 0.00 H new ATOM 0 HG11 VAL A 407 -2.614 14.151 4.716 1.00 0.00 H new ATOM 0 HG12 VAL A 407 -3.178 13.265 6.153 1.00 0.00 H new ATOM 0 HG13 VAL A 407 -1.452 13.249 5.718 1.00 0.00 H new ATOM 0 HG21 VAL A 407 -1.828 12.906 2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 407 -0.676 11.996 3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 407 -1.850 11.127 2.695 1.00 0.00 H new ATOM 651 N GLN A 408 -3.287 9.746 7.404 1.00 0.00 N ATOM 652 CA GLN A 408 -4.183 9.668 8.601 1.00 0.00 C ATOM 653 C GLN A 408 -3.439 10.180 9.841 1.00 0.00 C ATOM 654 O GLN A 408 -3.368 9.502 10.848 1.00 0.00 O ATOM 655 CB GLN A 408 -4.550 8.184 8.754 1.00 0.00 C ATOM 656 CG GLN A 408 -5.205 7.670 7.460 1.00 0.00 C ATOM 657 CD GLN A 408 -4.537 6.357 7.023 1.00 0.00 C ATOM 658 OE1 GLN A 408 -4.818 5.312 7.576 1.00 0.00 O ATOM 659 NE2 GLN A 408 -3.656 6.361 6.049 1.00 0.00 N ATOM 0 H GLN A 408 -2.590 9.005 7.333 1.00 0.00 H new ATOM 0 HA GLN A 408 -5.076 10.282 8.486 1.00 0.00 H new ATOM 0 HB2 GLN A 408 -3.656 7.601 8.976 1.00 0.00 H new ATOM 0 HB3 GLN A 408 -5.233 8.054 9.594 1.00 0.00 H new ATOM 0 HG2 GLN A 408 -6.271 7.510 7.620 1.00 0.00 H new ATOM 0 HG3 GLN A 408 -5.109 8.417 6.672 1.00 0.00 H new ATOM 0 HE21 GLN A 408 -3.417 7.235 5.581 1.00 0.00 H new ATOM 0 HE22 GLN A 408 -3.211 5.490 5.760 1.00 0.00 H new ATOM 668 N ILE A 409 -2.888 11.378 9.781 1.00 0.00 N ATOM 669 CA ILE A 409 -2.151 11.943 10.956 1.00 0.00 C ATOM 670 C ILE A 409 -1.123 10.930 11.496 1.00 0.00 C ATOM 671 O ILE A 409 -1.259 10.424 12.595 1.00 0.00 O ATOM 672 CB ILE A 409 -3.243 12.238 11.992 1.00 0.00 C ATOM 673 CG1 ILE A 409 -4.198 13.297 11.425 1.00 0.00 C ATOM 674 CG2 ILE A 409 -2.617 12.754 13.298 1.00 0.00 C ATOM 675 CD1 ILE A 409 -5.617 13.038 11.940 1.00 0.00 C ATOM 0 H ILE A 409 -2.920 11.987 8.963 1.00 0.00 H new ATOM 0 HA ILE A 409 -1.582 12.836 10.700 1.00 0.00 H new ATOM 0 HB ILE A 409 -3.790 11.320 12.207 1.00 0.00 H new ATOM 0 HG12 ILE A 409 -3.869 14.293 11.721 1.00 0.00 H new ATOM 0 HG13 ILE A 409 -4.185 13.267 10.335 1.00 0.00 H new ATOM 0 HG21 ILE A 409 -3.405 12.959 14.023 1.00 0.00 H new ATOM 0 HG22 ILE A 409 -1.941 12.000 13.700 1.00 0.00 H new ATOM 0 HG23 ILE A 409 -2.061 13.670 13.098 1.00 0.00 H new ATOM 0 HD11 ILE A 409 -6.294 13.791 11.536 1.00 0.00 H new ATOM 0 HD12 ILE A 409 -5.944 12.048 11.622 1.00 0.00 H new ATOM 0 HD13 ILE A 409 -5.624 13.090 13.029 1.00 0.00 H new ATOM 687 N VAL A 410 -0.086 10.649 10.737 1.00 0.00 N ATOM 688 CA VAL A 410 0.960 9.692 11.213 1.00 0.00 C ATOM 689 C VAL A 410 2.224 10.488 11.561 1.00 0.00 C ATOM 690 O VAL A 410 3.245 10.357 10.910 1.00 0.00 O ATOM 691 CB VAL A 410 1.217 8.738 10.040 1.00 0.00 C ATOM 692 CG1 VAL A 410 2.282 7.713 10.437 1.00 0.00 C ATOM 693 CG2 VAL A 410 -0.079 8.006 9.679 1.00 0.00 C ATOM 0 H VAL A 410 0.078 11.042 9.810 1.00 0.00 H new ATOM 0 HA VAL A 410 0.657 9.136 12.100 1.00 0.00 H new ATOM 0 HB VAL A 410 1.564 9.311 9.180 1.00 0.00 H new ATOM 0 HG11 VAL A 410 2.464 7.036 9.603 1.00 0.00 H new ATOM 0 HG12 VAL A 410 3.207 8.230 10.693 1.00 0.00 H new ATOM 0 HG13 VAL A 410 1.935 7.143 11.298 1.00 0.00 H new ATOM 0 HG21 VAL A 410 0.106 7.329 8.845 1.00 0.00 H new ATOM 0 HG22 VAL A 410 -0.426 7.435 10.540 1.00 0.00 H new ATOM 0 HG23 VAL A 410 -0.840 8.733 9.394 1.00 0.00 H new ATOM 703 N GLY A 411 2.158 11.334 12.568 1.00 0.00 N ATOM 704 CA GLY A 411 3.343 12.156 12.934 1.00 0.00 C ATOM 705 C GLY A 411 3.177 13.547 12.306 1.00 0.00 C ATOM 706 O GLY A 411 4.058 14.029 11.618 1.00 0.00 O ATOM 0 H GLY A 411 1.332 11.485 13.147 1.00 0.00 H new ATOM 0 HA2 GLY A 411 3.429 12.236 14.018 1.00 0.00 H new ATOM 0 HA3 GLY A 411 4.258 11.684 12.575 1.00 0.00 H new ATOM 710 N GLN A 412 2.046 14.196 12.526 1.00 0.00 N ATOM 711 CA GLN A 412 1.837 15.560 11.917 1.00 0.00 C ATOM 712 C GLN A 412 2.928 16.521 12.406 1.00 0.00 C ATOM 713 O GLN A 412 3.567 17.189 11.614 1.00 0.00 O ATOM 714 CB GLN A 412 0.448 16.055 12.370 1.00 0.00 C ATOM 715 CG GLN A 412 -0.662 15.148 11.806 1.00 0.00 C ATOM 716 CD GLN A 412 -0.565 15.070 10.274 1.00 0.00 C ATOM 717 OE1 GLN A 412 -1.270 15.773 9.577 1.00 0.00 O ATOM 718 NE2 GLN A 412 0.282 14.240 9.714 1.00 0.00 N ATOM 0 H GLN A 412 1.272 13.847 13.091 1.00 0.00 H new ATOM 0 HA GLN A 412 1.891 15.514 10.829 1.00 0.00 H new ATOM 0 HB2 GLN A 412 0.397 16.066 13.459 1.00 0.00 H new ATOM 0 HB3 GLN A 412 0.294 17.080 12.033 1.00 0.00 H new ATOM 0 HG2 GLN A 412 -0.576 14.149 12.233 1.00 0.00 H new ATOM 0 HG3 GLN A 412 -1.639 15.535 12.095 1.00 0.00 H new ATOM 0 HE21 GLN A 412 0.876 13.648 10.295 1.00 0.00 H new ATOM 0 HE22 GLN A 412 0.347 14.186 8.697 1.00 0.00 H new ATOM 727 N ASP A 413 3.162 16.587 13.700 1.00 0.00 N ATOM 728 CA ASP A 413 4.228 17.495 14.219 1.00 0.00 C ATOM 729 C ASP A 413 5.400 16.664 14.766 1.00 0.00 C ATOM 730 O ASP A 413 6.001 17.021 15.762 1.00 0.00 O ATOM 731 CB ASP A 413 3.567 18.298 15.343 1.00 0.00 C ATOM 732 CG ASP A 413 2.871 19.526 14.753 1.00 0.00 C ATOM 733 OD1 ASP A 413 2.115 19.357 13.811 1.00 0.00 O ATOM 734 OD2 ASP A 413 3.106 20.613 15.253 1.00 0.00 O ATOM 0 H ASP A 413 2.662 16.053 14.411 1.00 0.00 H new ATOM 0 HA ASP A 413 4.628 18.147 13.443 1.00 0.00 H new ATOM 0 HB2 ASP A 413 2.844 17.676 15.872 1.00 0.00 H new ATOM 0 HB3 ASP A 413 4.316 18.607 16.072 1.00 0.00 H new ATOM 739 N GLU A 414 5.733 15.557 14.127 1.00 0.00 N ATOM 740 CA GLU A 414 6.864 14.719 14.626 1.00 0.00 C ATOM 741 C GLU A 414 7.759 14.281 13.454 1.00 0.00 C ATOM 742 O GLU A 414 7.894 13.102 13.178 1.00 0.00 O ATOM 743 CB GLU A 414 6.200 13.506 15.281 1.00 0.00 C ATOM 744 CG GLU A 414 5.332 13.971 16.454 1.00 0.00 C ATOM 745 CD GLU A 414 5.235 12.852 17.493 1.00 0.00 C ATOM 746 OE1 GLU A 414 4.765 11.783 17.140 1.00 0.00 O ATOM 747 OE2 GLU A 414 5.633 13.084 18.623 1.00 0.00 O ATOM 0 H GLU A 414 5.270 15.207 13.289 1.00 0.00 H new ATOM 0 HA GLU A 414 7.502 15.260 15.325 1.00 0.00 H new ATOM 0 HB2 GLU A 414 5.590 12.974 14.551 1.00 0.00 H new ATOM 0 HB3 GLU A 414 6.960 12.807 15.631 1.00 0.00 H new ATOM 0 HG2 GLU A 414 5.762 14.865 16.906 1.00 0.00 H new ATOM 0 HG3 GLU A 414 4.337 14.240 16.100 1.00 0.00 H new ATOM 754 N THR A 415 8.377 15.217 12.764 1.00 0.00 N ATOM 755 CA THR A 415 9.259 14.843 11.619 1.00 0.00 C ATOM 756 C THR A 415 10.718 15.202 11.940 1.00 0.00 C ATOM 757 O THR A 415 11.309 16.051 11.299 1.00 0.00 O ATOM 758 CB THR A 415 8.746 15.659 10.429 1.00 0.00 C ATOM 759 OG1 THR A 415 8.050 16.806 10.898 1.00 0.00 O ATOM 760 CG2 THR A 415 7.805 14.794 9.590 1.00 0.00 C ATOM 0 H THR A 415 8.306 16.218 12.948 1.00 0.00 H new ATOM 0 HA THR A 415 9.234 13.774 11.410 1.00 0.00 H new ATOM 0 HB THR A 415 9.590 15.978 9.817 1.00 0.00 H new ATOM 0 HG1 THR A 415 7.725 17.326 10.134 1.00 0.00 H new ATOM 0 HG21 THR A 415 7.438 15.372 8.742 1.00 0.00 H new ATOM 0 HG22 THR A 415 8.343 13.918 9.227 1.00 0.00 H new ATOM 0 HG23 THR A 415 6.962 14.474 10.202 1.00 0.00 H new ATOM 768 N ASP A 416 11.305 14.560 12.929 1.00 0.00 N ATOM 769 CA ASP A 416 12.722 14.867 13.287 1.00 0.00 C ATOM 770 C ASP A 416 13.536 13.569 13.391 1.00 0.00 C ATOM 771 O ASP A 416 13.725 13.039 14.470 1.00 0.00 O ATOM 772 CB ASP A 416 12.645 15.562 14.646 1.00 0.00 C ATOM 773 CG ASP A 416 11.858 16.868 14.509 1.00 0.00 C ATOM 774 OD1 ASP A 416 12.271 17.705 13.724 1.00 0.00 O ATOM 775 OD2 ASP A 416 10.857 17.006 15.191 1.00 0.00 O ATOM 0 H ASP A 416 10.861 13.840 13.499 1.00 0.00 H new ATOM 0 HA ASP A 416 13.212 15.489 12.538 1.00 0.00 H new ATOM 0 HB2 ASP A 416 12.162 14.909 15.373 1.00 0.00 H new ATOM 0 HB3 ASP A 416 13.649 15.767 15.019 1.00 0.00 H new ATOM 780 N ASP A 417 14.022 13.049 12.282 1.00 0.00 N ATOM 781 CA ASP A 417 14.821 11.786 12.333 1.00 0.00 C ATOM 782 C ASP A 417 16.026 11.881 11.392 1.00 0.00 C ATOM 783 O ASP A 417 16.452 12.992 11.117 1.00 0.00 O ATOM 784 CB ASP A 417 13.860 10.681 11.877 1.00 0.00 C ATOM 785 CG ASP A 417 13.337 10.986 10.468 1.00 0.00 C ATOM 786 OD1 ASP A 417 14.042 10.686 9.518 1.00 0.00 O ATOM 787 OD2 ASP A 417 12.243 11.516 10.367 1.00 0.00 O ATOM 0 H ASP A 417 13.898 13.446 11.351 1.00 0.00 H new ATOM 0 HA ASP A 417 15.216 11.590 13.330 1.00 0.00 H new ATOM 0 HB2 ASP A 417 14.371 9.718 11.883 1.00 0.00 H new ATOM 0 HB3 ASP A 417 13.026 10.603 12.574 1.00 0.00 H new TER 792 ASP A 417 HETATM 793 ZN ZN A1001 -0.359 -2.871 2.078 1.00 0.00 ZN