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 381 TYR OH : rot 180:sc= -0.623 USER MOD Set 1.2: A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 367 SER OG : rot 12:sc= 0.0584 USER MOD Single : A 369 SER OG : rot 172:sc= 0.332 USER MOD Single : A 372 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.1) USER MOD Single : A 373 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 378 SER OG : rot 119:sc= 0.997 USER MOD Single : A 380 MET CE :methyl -161:sc= -0.0406 (180deg=-0.987) USER MOD Single : A 384 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 394 GLN : amide:sc= -1.85 K(o=-1.9,f=-2.4!) USER MOD Single : A 395 HIS : no HD1:sc= -0.92 K(o=-0.92,f=-1.5) USER MOD Single : A 397 SER OG : rot -164:sc= -3.47! 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 408 GLN : amide:sc= -5.29! K(o=-5.3!,f=-3.7) USER MOD Single : A 412 GLN : amide:sc= -3.64! C(o=-3.6!,f=-3.5!) USER MOD Single : A 415 THR OG1 : rot -61:sc= 0.503 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 12.314 -11.060 -6.898 1.00 0.00 N ATOM 2 CA GLY A 363 10.853 -10.897 -7.140 1.00 0.00 C ATOM 3 C GLY A 363 10.537 -9.419 -7.409 1.00 0.00 C ATOM 4 O GLY A 363 11.407 -8.579 -7.293 1.00 0.00 O ATOM 0 HA2 GLY A 363 10.545 -11.506 -7.990 1.00 0.00 H new ATOM 0 HA3 GLY A 363 10.290 -11.248 -6.276 1.00 0.00 H new ATOM 10 N PRO A 364 9.300 -9.139 -7.763 1.00 0.00 N ATOM 11 CA PRO A 364 8.901 -7.737 -8.045 1.00 0.00 C ATOM 12 C PRO A 364 8.811 -6.932 -6.738 1.00 0.00 C ATOM 13 O PRO A 364 8.089 -7.302 -5.831 1.00 0.00 O ATOM 14 CB PRO A 364 7.526 -7.875 -8.694 1.00 0.00 C ATOM 15 CG PRO A 364 6.990 -9.178 -8.194 1.00 0.00 C ATOM 16 CD PRO A 364 8.173 -10.073 -7.934 1.00 0.00 C ATOM 0 HA PRO A 364 9.613 -7.210 -8.679 1.00 0.00 H new ATOM 0 HB2 PRO A 364 6.874 -7.047 -8.416 1.00 0.00 H new ATOM 0 HB3 PRO A 364 7.601 -7.870 -9.781 1.00 0.00 H new ATOM 0 HG2 PRO A 364 6.410 -9.032 -7.283 1.00 0.00 H new ATOM 0 HG3 PRO A 364 6.321 -9.627 -8.929 1.00 0.00 H new ATOM 0 HD2 PRO A 364 8.023 -10.684 -7.044 1.00 0.00 H new ATOM 0 HD3 PRO A 364 8.345 -10.758 -8.765 1.00 0.00 H new ATOM 24 N LEU A 365 9.535 -5.836 -6.632 1.00 0.00 N ATOM 25 CA LEU A 365 9.481 -5.021 -5.381 1.00 0.00 C ATOM 26 C LEU A 365 9.308 -3.533 -5.725 1.00 0.00 C ATOM 27 O LEU A 365 8.321 -2.922 -5.358 1.00 0.00 O ATOM 28 CB LEU A 365 10.826 -5.259 -4.694 1.00 0.00 C ATOM 29 CG LEU A 365 10.678 -6.364 -3.647 1.00 0.00 C ATOM 30 CD1 LEU A 365 10.971 -7.721 -4.289 1.00 0.00 C ATOM 31 CD2 LEU A 365 11.666 -6.119 -2.504 1.00 0.00 C ATOM 0 H LEU A 365 10.156 -5.477 -7.357 1.00 0.00 H new ATOM 0 HA LEU A 365 8.643 -5.300 -4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 365 11.578 -5.541 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 365 11.172 -4.340 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 365 9.660 -6.359 -3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 365 10.865 -8.507 -3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 365 10.268 -7.897 -5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 365 11.988 -7.726 -4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 365 11.561 -6.906 -1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 365 12.683 -6.123 -2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 365 11.458 -5.153 -2.044 1.00 0.00 H new ATOM 43 N GLY A 366 10.256 -2.942 -6.425 1.00 0.00 N ATOM 44 CA GLY A 366 10.132 -1.498 -6.782 1.00 0.00 C ATOM 45 C GLY A 366 9.999 -1.355 -8.305 1.00 0.00 C ATOM 46 O GLY A 366 10.894 -0.856 -8.962 1.00 0.00 O ATOM 0 H GLY A 366 11.103 -3.400 -6.760 1.00 0.00 H new ATOM 0 HA2 GLY A 366 9.262 -1.064 -6.288 1.00 0.00 H new ATOM 0 HA3 GLY A 366 11.005 -0.949 -6.430 1.00 0.00 H new ATOM 50 N SER A 367 8.892 -1.787 -8.875 1.00 0.00 N ATOM 51 CA SER A 367 8.716 -1.670 -10.355 1.00 0.00 C ATOM 52 C SER A 367 7.265 -1.290 -10.690 1.00 0.00 C ATOM 53 O SER A 367 6.652 -1.886 -11.554 1.00 0.00 O ATOM 54 CB SER A 367 9.048 -3.058 -10.903 1.00 0.00 C ATOM 55 OG SER A 367 10.458 -3.189 -11.026 1.00 0.00 O ATOM 0 H SER A 367 8.110 -2.213 -8.378 1.00 0.00 H new ATOM 0 HA SER A 367 9.353 -0.898 -10.787 1.00 0.00 H new ATOM 0 HB2 SER A 367 8.656 -3.828 -10.238 1.00 0.00 H new ATOM 0 HB3 SER A 367 8.572 -3.202 -11.873 1.00 0.00 H new ATOM 0 HG SER A 367 10.897 -2.445 -10.564 1.00 0.00 H new ATOM 61 N GLY A 368 6.710 -0.302 -10.015 1.00 0.00 N ATOM 62 CA GLY A 368 5.303 0.104 -10.305 1.00 0.00 C ATOM 63 C GLY A 368 4.438 -0.111 -9.055 1.00 0.00 C ATOM 64 O GLY A 368 4.526 -1.138 -8.408 1.00 0.00 O ATOM 0 H GLY A 368 7.174 0.234 -9.281 1.00 0.00 H new ATOM 0 HA2 GLY A 368 5.271 1.151 -10.607 1.00 0.00 H new ATOM 0 HA3 GLY A 368 4.909 -0.480 -11.137 1.00 0.00 H new ATOM 68 N SER A 369 3.601 0.846 -8.706 1.00 0.00 N ATOM 69 CA SER A 369 2.738 0.682 -7.498 1.00 0.00 C ATOM 70 C SER A 369 1.343 1.277 -7.752 1.00 0.00 C ATOM 71 O SER A 369 0.764 1.895 -6.879 1.00 0.00 O ATOM 72 CB SER A 369 3.455 1.455 -6.392 1.00 0.00 C ATOM 73 OG SER A 369 4.750 0.901 -6.195 1.00 0.00 O ATOM 0 H SER A 369 3.483 1.727 -9.207 1.00 0.00 H new ATOM 0 HA SER A 369 2.592 -0.366 -7.237 1.00 0.00 H new ATOM 0 HB2 SER A 369 3.535 2.508 -6.661 1.00 0.00 H new ATOM 0 HB3 SER A 369 2.881 1.405 -5.467 1.00 0.00 H new ATOM 0 HG SER A 369 5.259 1.470 -5.581 1.00 0.00 H new ATOM 79 N GLU A 370 0.796 1.097 -8.938 1.00 0.00 N ATOM 80 CA GLU A 370 -0.560 1.658 -9.229 1.00 0.00 C ATOM 81 C GLU A 370 -1.305 0.771 -10.241 1.00 0.00 C ATOM 82 O GLU A 370 -0.704 -0.054 -10.904 1.00 0.00 O ATOM 83 CB GLU A 370 -0.302 3.052 -9.816 1.00 0.00 C ATOM 84 CG GLU A 370 0.566 2.940 -11.073 1.00 0.00 C ATOM 85 CD GLU A 370 0.795 4.334 -11.660 1.00 0.00 C ATOM 86 OE1 GLU A 370 -0.143 4.886 -12.210 1.00 0.00 O ATOM 87 OE2 GLU A 370 1.906 4.825 -11.550 1.00 0.00 O ATOM 0 H GLU A 370 1.230 0.589 -9.708 1.00 0.00 H new ATOM 0 HA GLU A 370 -1.183 1.704 -8.336 1.00 0.00 H new ATOM 0 HB2 GLU A 370 -1.249 3.534 -10.060 1.00 0.00 H new ATOM 0 HB3 GLU A 370 0.194 3.681 -9.077 1.00 0.00 H new ATOM 0 HG2 GLU A 370 1.521 2.475 -10.828 1.00 0.00 H new ATOM 0 HG3 GLU A 370 0.079 2.299 -11.808 1.00 0.00 H new ATOM 94 N GLY A 371 -2.608 0.928 -10.366 1.00 0.00 N ATOM 95 CA GLY A 371 -3.374 0.090 -11.334 1.00 0.00 C ATOM 96 C GLY A 371 -3.449 0.809 -12.688 1.00 0.00 C ATOM 97 O GLY A 371 -2.956 0.311 -13.684 1.00 0.00 O ATOM 0 H GLY A 371 -3.166 1.600 -9.838 1.00 0.00 H new ATOM 0 HA2 GLY A 371 -2.892 -0.880 -11.452 1.00 0.00 H new ATOM 0 HA3 GLY A 371 -4.378 -0.097 -10.954 1.00 0.00 H new ATOM 101 N ASN A 372 -4.060 1.976 -12.740 1.00 0.00 N ATOM 102 CA ASN A 372 -4.159 2.712 -14.038 1.00 0.00 C ATOM 103 C ASN A 372 -4.090 4.231 -13.800 1.00 0.00 C ATOM 104 O ASN A 372 -5.036 4.948 -14.069 1.00 0.00 O ATOM 105 CB ASN A 372 -5.520 2.314 -14.613 1.00 0.00 C ATOM 106 CG ASN A 372 -5.531 0.808 -14.907 1.00 0.00 C ATOM 107 OD1 ASN A 372 -6.276 0.068 -14.296 1.00 0.00 O ATOM 108 ND2 ASN A 372 -4.732 0.314 -15.822 1.00 0.00 N ATOM 0 H ASN A 372 -4.490 2.444 -11.942 1.00 0.00 H new ATOM 0 HA ASN A 372 -3.342 2.466 -14.717 1.00 0.00 H new ATOM 0 HB2 ASN A 372 -6.312 2.563 -13.907 1.00 0.00 H new ATOM 0 HB3 ASN A 372 -5.719 2.875 -15.526 1.00 0.00 H new ATOM 0 HD21 ASN A 372 -4.738 -0.687 -16.018 1.00 0.00 H new ATOM 0 HD22 ASN A 372 -4.105 0.931 -16.338 1.00 0.00 H new ATOM 115 N LYS A 373 -2.977 4.733 -13.296 1.00 0.00 N ATOM 116 CA LYS A 373 -2.850 6.207 -13.043 1.00 0.00 C ATOM 117 C LYS A 373 -4.023 6.716 -12.188 1.00 0.00 C ATOM 118 O LYS A 373 -4.815 7.526 -12.634 1.00 0.00 O ATOM 119 CB LYS A 373 -2.861 6.863 -14.428 1.00 0.00 C ATOM 120 CG LYS A 373 -1.424 7.034 -14.925 1.00 0.00 C ATOM 121 CD LYS A 373 -0.867 5.676 -15.355 1.00 0.00 C ATOM 122 CE LYS A 373 0.243 5.882 -16.390 1.00 0.00 C ATOM 123 NZ LYS A 373 1.228 4.798 -16.119 1.00 0.00 N ATOM 0 H LYS A 373 -2.154 4.182 -13.051 1.00 0.00 H new ATOM 0 HA LYS A 373 -1.940 6.445 -12.493 1.00 0.00 H new ATOM 0 HB2 LYS A 373 -3.428 6.249 -15.128 1.00 0.00 H new ATOM 0 HB3 LYS A 373 -3.358 7.832 -14.379 1.00 0.00 H new ATOM 0 HG2 LYS A 373 -1.398 7.731 -15.763 1.00 0.00 H new ATOM 0 HG3 LYS A 373 -0.804 7.460 -14.137 1.00 0.00 H new ATOM 0 HD2 LYS A 373 -0.477 5.141 -14.489 1.00 0.00 H new ATOM 0 HD3 LYS A 373 -1.663 5.062 -15.777 1.00 0.00 H new ATOM 0 HE2 LYS A 373 -0.147 5.816 -17.406 1.00 0.00 H new ATOM 0 HE3 LYS A 373 0.701 6.866 -16.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 2.020 4.873 -16.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 1.587 4.890 -15.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 0.766 3.873 -16.231 1.00 0.00 H new ATOM 137 N VAL A 374 -4.142 6.248 -10.961 1.00 0.00 N ATOM 138 CA VAL A 374 -5.258 6.709 -10.092 1.00 0.00 C ATOM 139 C VAL A 374 -4.779 6.859 -8.639 1.00 0.00 C ATOM 140 O VAL A 374 -3.778 6.284 -8.255 1.00 0.00 O ATOM 141 CB VAL A 374 -6.320 5.608 -10.207 1.00 0.00 C ATOM 142 CG1 VAL A 374 -5.764 4.270 -9.691 1.00 0.00 C ATOM 143 CG2 VAL A 374 -7.553 6.008 -9.391 1.00 0.00 C ATOM 0 H VAL A 374 -3.512 5.569 -10.534 1.00 0.00 H new ATOM 0 HA VAL A 374 -5.645 7.683 -10.392 1.00 0.00 H new ATOM 0 HB VAL A 374 -6.596 5.487 -11.254 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -6.530 3.499 -9.779 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -4.893 3.986 -10.282 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -5.474 4.375 -8.645 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -8.310 5.228 -9.470 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -7.272 6.136 -8.346 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -7.956 6.945 -9.776 1.00 0.00 H new ATOM 153 N LYS A 375 -5.489 7.612 -7.827 1.00 0.00 N ATOM 154 CA LYS A 375 -5.061 7.772 -6.391 1.00 0.00 C ATOM 155 C LYS A 375 -5.601 6.592 -5.566 1.00 0.00 C ATOM 156 O LYS A 375 -6.681 6.659 -5.009 1.00 0.00 O ATOM 157 CB LYS A 375 -5.661 9.095 -5.894 1.00 0.00 C ATOM 158 CG LYS A 375 -4.609 9.868 -5.095 1.00 0.00 C ATOM 159 CD LYS A 375 -3.619 10.525 -6.059 1.00 0.00 C ATOM 160 CE LYS A 375 -2.988 11.747 -5.391 1.00 0.00 C ATOM 161 NZ LYS A 375 -1.745 11.236 -4.747 1.00 0.00 N ATOM 0 H LYS A 375 -6.335 8.117 -8.089 1.00 0.00 H new ATOM 0 HA LYS A 375 -3.975 7.785 -6.293 1.00 0.00 H new ATOM 0 HB2 LYS A 375 -6.001 9.692 -6.740 1.00 0.00 H new ATOM 0 HB3 LYS A 375 -6.534 8.899 -5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 375 -5.090 10.627 -4.478 1.00 0.00 H new ATOM 0 HG3 LYS A 375 -4.082 9.194 -4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 375 -2.845 9.812 -6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 375 -4.130 10.822 -6.975 1.00 0.00 H new ATOM 0 HE2 LYS A 375 -2.763 12.524 -6.122 1.00 0.00 H new ATOM 0 HE3 LYS A 375 -3.662 12.186 -4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 -1.256 12.018 -4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 -1.991 10.503 -4.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 -1.120 10.830 -5.472 1.00 0.00 H new ATOM 175 N ARG A 376 -4.852 5.513 -5.486 1.00 0.00 N ATOM 176 CA ARG A 376 -5.330 4.335 -4.695 1.00 0.00 C ATOM 177 C ARG A 376 -5.512 4.720 -3.230 1.00 0.00 C ATOM 178 O ARG A 376 -4.841 5.598 -2.720 1.00 0.00 O ATOM 179 CB ARG A 376 -4.285 3.216 -4.836 1.00 0.00 C ATOM 180 CG ARG A 376 -4.794 2.159 -5.814 1.00 0.00 C ATOM 181 CD ARG A 376 -6.004 1.441 -5.205 1.00 0.00 C ATOM 182 NE ARG A 376 -6.618 0.671 -6.330 1.00 0.00 N ATOM 183 CZ ARG A 376 -7.333 1.267 -7.271 1.00 0.00 C ATOM 184 NH1 ARG A 376 -7.519 2.565 -7.272 1.00 0.00 N ATOM 185 NH2 ARG A 376 -7.865 0.552 -8.226 1.00 0.00 N ATOM 0 H ARG A 376 -3.941 5.400 -5.930 1.00 0.00 H new ATOM 0 HA ARG A 376 -6.295 3.993 -5.068 1.00 0.00 H new ATOM 0 HB2 ARG A 376 -3.341 3.629 -5.191 1.00 0.00 H new ATOM 0 HB3 ARG A 376 -4.090 2.763 -3.864 1.00 0.00 H new ATOM 0 HG2 ARG A 376 -5.072 2.626 -6.759 1.00 0.00 H new ATOM 0 HG3 ARG A 376 -4.004 1.441 -6.034 1.00 0.00 H new ATOM 0 HD2 ARG A 376 -5.700 0.778 -4.395 1.00 0.00 H new ATOM 0 HD3 ARG A 376 -6.713 2.154 -4.784 1.00 0.00 H new ATOM 0 HE ARG A 376 -6.482 -0.339 -6.373 1.00 0.00 H new ATOM 0 HH11 ARG A 376 -7.108 3.140 -6.536 1.00 0.00 H new ATOM 0 HH12 ARG A 376 -8.074 3.000 -8.009 1.00 0.00 H new ATOM 0 HH21 ARG A 376 -7.728 -0.459 -8.243 1.00 0.00 H new ATOM 0 HH22 ARG A 376 -8.417 1.004 -8.955 1.00 0.00 H new ATOM 199 N THR A 377 -6.407 4.048 -2.543 1.00 0.00 N ATOM 200 CA THR A 377 -6.620 4.363 -1.098 1.00 0.00 C ATOM 201 C THR A 377 -5.410 3.809 -0.339 1.00 0.00 C ATOM 202 O THR A 377 -4.901 2.768 -0.693 1.00 0.00 O ATOM 203 CB THR A 377 -7.946 3.665 -0.709 1.00 0.00 C ATOM 204 OG1 THR A 377 -9.036 4.479 -1.125 1.00 0.00 O ATOM 205 CG2 THR A 377 -8.039 3.441 0.808 1.00 0.00 C ATOM 0 H THR A 377 -6.993 3.302 -2.918 1.00 0.00 H new ATOM 0 HA THR A 377 -6.699 5.426 -0.869 1.00 0.00 H new ATOM 0 HB THR A 377 -7.979 2.693 -1.201 1.00 0.00 H new ATOM 0 HG1 THR A 377 -9.880 4.043 -0.884 1.00 0.00 H new ATOM 0 HG21 THR A 377 -8.982 2.949 1.046 1.00 0.00 H new ATOM 0 HG22 THR A 377 -7.210 2.813 1.135 1.00 0.00 H new ATOM 0 HG23 THR A 377 -7.991 4.401 1.321 1.00 0.00 H new ATOM 213 N SER A 378 -4.944 4.478 0.690 1.00 0.00 N ATOM 214 CA SER A 378 -3.745 3.938 1.432 1.00 0.00 C ATOM 215 C SER A 378 -4.048 2.520 1.939 1.00 0.00 C ATOM 216 O SER A 378 -5.184 2.084 1.919 1.00 0.00 O ATOM 217 CB SER A 378 -3.470 4.874 2.613 1.00 0.00 C ATOM 218 OG SER A 378 -2.175 4.595 3.135 1.00 0.00 O ATOM 0 H SER A 378 -5.327 5.354 1.046 1.00 0.00 H new ATOM 0 HA SER A 378 -2.874 3.889 0.778 1.00 0.00 H new ATOM 0 HB2 SER A 378 -3.530 5.914 2.291 1.00 0.00 H new ATOM 0 HB3 SER A 378 -4.225 4.736 3.387 1.00 0.00 H new ATOM 0 HG SER A 378 -1.611 5.392 3.053 1.00 0.00 H new ATOM 224 N CYS A 379 -3.055 1.802 2.409 1.00 0.00 N ATOM 225 CA CYS A 379 -3.313 0.412 2.938 1.00 0.00 C ATOM 226 C CYS A 379 -3.797 0.490 4.396 1.00 0.00 C ATOM 227 O CYS A 379 -3.548 1.466 5.078 1.00 0.00 O ATOM 228 CB CYS A 379 -1.958 -0.313 2.858 1.00 0.00 C ATOM 229 SG CYS A 379 -2.160 -2.071 3.226 1.00 0.00 S ATOM 0 H CYS A 379 -2.083 2.110 2.452 1.00 0.00 H new ATOM 0 HA CYS A 379 -4.082 -0.110 2.369 1.00 0.00 H new ATOM 0 HB2 CYS A 379 -1.531 -0.190 1.863 1.00 0.00 H new ATOM 0 HB3 CYS A 379 -1.257 0.134 3.563 1.00 0.00 H new ATOM 234 N MET A 380 -4.480 -0.531 4.890 1.00 0.00 N ATOM 235 CA MET A 380 -4.960 -0.488 6.324 1.00 0.00 C ATOM 236 C MET A 380 -3.776 -0.260 7.283 1.00 0.00 C ATOM 237 O MET A 380 -3.934 0.355 8.323 1.00 0.00 O ATOM 238 CB MET A 380 -5.612 -1.852 6.612 1.00 0.00 C ATOM 239 CG MET A 380 -6.851 -2.022 5.730 1.00 0.00 C ATOM 240 SD MET A 380 -7.924 -3.297 6.435 1.00 0.00 S ATOM 241 CE MET A 380 -6.720 -4.646 6.401 1.00 0.00 C ATOM 0 H MET A 380 -4.722 -1.377 4.374 1.00 0.00 H new ATOM 0 HA MET A 380 -5.666 0.329 6.471 1.00 0.00 H new ATOM 0 HB2 MET A 380 -4.901 -2.655 6.418 1.00 0.00 H new ATOM 0 HB3 MET A 380 -5.889 -1.920 7.664 1.00 0.00 H new ATOM 0 HG2 MET A 380 -7.390 -1.078 5.657 1.00 0.00 H new ATOM 0 HG3 MET A 380 -6.555 -2.300 4.718 1.00 0.00 H new ATOM 0 HE1 MET A 380 -7.241 -5.601 6.471 1.00 0.00 H new ATOM 0 HE2 MET A 380 -6.156 -4.607 5.469 1.00 0.00 H new ATOM 0 HE3 MET A 380 -6.036 -4.544 7.243 1.00 0.00 H new ATOM 251 N TYR A 381 -2.591 -0.737 6.946 1.00 0.00 N ATOM 252 CA TYR A 381 -1.413 -0.521 7.854 1.00 0.00 C ATOM 253 C TYR A 381 -0.790 0.871 7.631 1.00 0.00 C ATOM 254 O TYR A 381 -0.116 1.384 8.505 1.00 0.00 O ATOM 255 CB TYR A 381 -0.400 -1.626 7.523 1.00 0.00 C ATOM 256 CG TYR A 381 -1.045 -2.968 7.770 1.00 0.00 C ATOM 257 CD1 TYR A 381 -1.218 -3.439 9.098 1.00 0.00 C ATOM 258 CD2 TYR A 381 -1.494 -3.751 6.673 1.00 0.00 C ATOM 259 CE1 TYR A 381 -1.840 -4.695 9.331 1.00 0.00 C ATOM 260 CE2 TYR A 381 -2.119 -5.005 6.905 1.00 0.00 C ATOM 261 CZ TYR A 381 -2.292 -5.477 8.234 1.00 0.00 C ATOM 262 OH TYR A 381 -2.907 -6.692 8.459 1.00 0.00 O ATOM 0 H TYR A 381 -2.393 -1.259 6.092 1.00 0.00 H new ATOM 0 HA TYR A 381 -1.717 -0.564 8.900 1.00 0.00 H new ATOM 0 HB2 TYR A 381 -0.081 -1.546 6.484 1.00 0.00 H new ATOM 0 HB3 TYR A 381 0.492 -1.517 8.140 1.00 0.00 H new ATOM 0 HD1 TYR A 381 -0.877 -2.843 9.931 1.00 0.00 H new ATOM 0 HD2 TYR A 381 -1.360 -3.393 5.663 1.00 0.00 H new ATOM 0 HE1 TYR A 381 -1.969 -5.055 10.341 1.00 0.00 H new ATOM 0 HE2 TYR A 381 -2.463 -5.600 6.072 1.00 0.00 H new ATOM 0 HH TYR A 381 -3.155 -7.097 7.602 1.00 0.00 H new ATOM 272 N GLY A 382 -1.001 1.497 6.484 1.00 0.00 N ATOM 273 CA GLY A 382 -0.410 2.848 6.259 1.00 0.00 C ATOM 274 C GLY A 382 1.119 2.738 6.204 1.00 0.00 C ATOM 275 O GLY A 382 1.686 2.498 5.160 1.00 0.00 O ATOM 0 H GLY A 382 -1.552 1.127 5.709 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -0.788 3.271 5.328 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -0.707 3.524 7.060 1.00 0.00 H new ATOM 279 N ALA A 383 1.786 2.901 7.325 1.00 0.00 N ATOM 280 CA ALA A 383 3.280 2.798 7.327 1.00 0.00 C ATOM 281 C ALA A 383 3.774 1.471 7.941 1.00 0.00 C ATOM 282 O ALA A 383 4.970 1.256 8.028 1.00 0.00 O ATOM 283 CB ALA A 383 3.765 3.984 8.168 1.00 0.00 C ATOM 0 H ALA A 383 1.363 3.099 8.231 1.00 0.00 H new ATOM 0 HA ALA A 383 3.669 2.817 6.309 1.00 0.00 H new ATOM 0 HB1 ALA A 383 4.854 3.975 8.215 1.00 0.00 H new ATOM 0 HB2 ALA A 383 3.429 4.915 7.712 1.00 0.00 H new ATOM 0 HB3 ALA A 383 3.357 3.906 9.176 1.00 0.00 H new ATOM 289 N ASN A 384 2.898 0.579 8.377 1.00 0.00 N ATOM 290 CA ASN A 384 3.389 -0.699 8.980 1.00 0.00 C ATOM 291 C ASN A 384 2.945 -1.935 8.173 1.00 0.00 C ATOM 292 O ASN A 384 2.907 -3.026 8.713 1.00 0.00 O ATOM 293 CB ASN A 384 2.773 -0.727 10.380 1.00 0.00 C ATOM 294 CG ASN A 384 3.310 0.454 11.198 1.00 0.00 C ATOM 295 OD1 ASN A 384 4.391 0.379 11.750 1.00 0.00 O ATOM 296 ND2 ASN A 384 2.603 1.553 11.303 1.00 0.00 N ATOM 0 H ASN A 384 1.884 0.685 8.339 1.00 0.00 H new ATOM 0 HA ASN A 384 4.478 -0.736 8.992 1.00 0.00 H new ATOM 0 HB2 ASN A 384 1.686 -0.672 10.312 1.00 0.00 H new ATOM 0 HB3 ASN A 384 3.014 -1.667 10.877 1.00 0.00 H new ATOM 0 HD21 ASN A 384 2.960 2.339 11.845 1.00 0.00 H new ATOM 0 HD22 ASN A 384 1.696 1.622 10.842 1.00 0.00 H new ATOM 303 N CYS A 385 2.611 -1.805 6.893 1.00 0.00 N ATOM 304 CA CYS A 385 2.185 -3.026 6.102 1.00 0.00 C ATOM 305 C CYS A 385 3.244 -4.137 6.245 1.00 0.00 C ATOM 306 O CYS A 385 4.420 -3.856 6.386 1.00 0.00 O ATOM 307 CB CYS A 385 2.056 -2.588 4.627 1.00 0.00 C ATOM 308 SG CYS A 385 1.162 -3.857 3.686 1.00 0.00 S ATOM 0 H CYS A 385 2.615 -0.927 6.374 1.00 0.00 H new ATOM 0 HA CYS A 385 1.237 -3.421 6.467 1.00 0.00 H new ATOM 0 HB2 CYS A 385 1.528 -1.637 4.565 1.00 0.00 H new ATOM 0 HB3 CYS A 385 3.045 -2.432 4.196 1.00 0.00 H new ATOM 313 N TYR A 386 2.837 -5.388 6.227 1.00 0.00 N ATOM 314 CA TYR A 386 3.841 -6.497 6.380 1.00 0.00 C ATOM 315 C TYR A 386 3.772 -7.537 5.236 1.00 0.00 C ATOM 316 O TYR A 386 4.796 -8.064 4.838 1.00 0.00 O ATOM 317 CB TYR A 386 3.548 -7.140 7.750 1.00 0.00 C ATOM 318 CG TYR A 386 2.232 -7.888 7.738 1.00 0.00 C ATOM 319 CD1 TYR A 386 2.151 -9.178 7.146 1.00 0.00 C ATOM 320 CD2 TYR A 386 1.080 -7.311 8.337 1.00 0.00 C ATOM 321 CE1 TYR A 386 0.919 -9.886 7.145 1.00 0.00 C ATOM 322 CE2 TYR A 386 -0.151 -8.020 8.339 1.00 0.00 C ATOM 323 CZ TYR A 386 -0.231 -9.308 7.742 1.00 0.00 C ATOM 324 OH TYR A 386 -1.427 -9.994 7.742 1.00 0.00 O ATOM 0 H TYR A 386 1.868 -5.687 6.115 1.00 0.00 H new ATOM 0 HA TYR A 386 4.855 -6.102 6.326 1.00 0.00 H new ATOM 0 HB2 TYR A 386 4.355 -7.824 8.013 1.00 0.00 H new ATOM 0 HB3 TYR A 386 3.522 -6.367 8.518 1.00 0.00 H new ATOM 0 HD1 TYR A 386 3.027 -9.621 6.696 1.00 0.00 H new ATOM 0 HD2 TYR A 386 1.140 -6.333 8.791 1.00 0.00 H new ATOM 0 HE1 TYR A 386 0.858 -10.864 6.690 1.00 0.00 H new ATOM 0 HE2 TYR A 386 -1.026 -7.581 8.794 1.00 0.00 H new ATOM 0 HH TYR A 386 -2.112 -9.457 8.192 1.00 0.00 H new ATOM 334 N ARG A 387 2.605 -7.852 4.705 1.00 0.00 N ATOM 335 CA ARG A 387 2.555 -8.877 3.596 1.00 0.00 C ATOM 336 C ARG A 387 3.355 -8.373 2.384 1.00 0.00 C ATOM 337 O ARG A 387 3.635 -7.195 2.272 1.00 0.00 O ATOM 338 CB ARG A 387 1.073 -9.081 3.226 1.00 0.00 C ATOM 339 CG ARG A 387 0.452 -7.760 2.765 1.00 0.00 C ATOM 340 CD ARG A 387 -0.703 -8.047 1.802 1.00 0.00 C ATOM 341 NE ARG A 387 -1.851 -8.444 2.674 1.00 0.00 N ATOM 342 CZ ARG A 387 -2.466 -7.561 3.447 1.00 0.00 C ATOM 343 NH1 ARG A 387 -2.080 -6.307 3.499 1.00 0.00 N ATOM 344 NH2 ARG A 387 -3.476 -7.943 4.186 1.00 0.00 N ATOM 0 H ARG A 387 1.706 -7.457 4.981 1.00 0.00 H new ATOM 0 HA ARG A 387 2.996 -9.822 3.914 1.00 0.00 H new ATOM 0 HB2 ARG A 387 0.988 -9.826 2.435 1.00 0.00 H new ATOM 0 HB3 ARG A 387 0.526 -9.467 4.087 1.00 0.00 H new ATOM 0 HG2 ARG A 387 0.091 -7.196 3.625 1.00 0.00 H new ATOM 0 HG3 ARG A 387 1.205 -7.144 2.273 1.00 0.00 H new ATOM 0 HD2 ARG A 387 -0.947 -7.167 1.206 1.00 0.00 H new ATOM 0 HD3 ARG A 387 -0.445 -8.843 1.104 1.00 0.00 H new ATOM 0 HE ARG A 387 -2.167 -9.414 2.674 1.00 0.00 H new ATOM 0 HH11 ARG A 387 -1.290 -5.993 2.936 1.00 0.00 H new ATOM 0 HH12 ARG A 387 -2.571 -5.647 4.102 1.00 0.00 H new ATOM 0 HH21 ARG A 387 -3.785 -8.915 4.164 1.00 0.00 H new ATOM 0 HH22 ARG A 387 -3.954 -7.269 4.784 1.00 0.00 H new ATOM 358 N LYS A 388 3.727 -9.253 1.475 1.00 0.00 N ATOM 359 CA LYS A 388 4.508 -8.805 0.279 1.00 0.00 C ATOM 360 C LYS A 388 3.855 -9.313 -1.016 1.00 0.00 C ATOM 361 O LYS A 388 4.417 -10.133 -1.719 1.00 0.00 O ATOM 362 CB LYS A 388 5.914 -9.396 0.455 1.00 0.00 C ATOM 363 CG LYS A 388 5.838 -10.924 0.585 1.00 0.00 C ATOM 364 CD LYS A 388 5.971 -11.322 2.060 1.00 0.00 C ATOM 365 CE LYS A 388 6.788 -12.610 2.175 1.00 0.00 C ATOM 366 NZ LYS A 388 7.373 -12.571 3.545 1.00 0.00 N ATOM 0 H LYS A 388 3.524 -10.252 1.513 1.00 0.00 H new ATOM 0 HA LYS A 388 4.541 -7.718 0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 388 6.538 -9.127 -0.397 1.00 0.00 H new ATOM 0 HB3 LYS A 388 6.386 -8.972 1.341 1.00 0.00 H new ATOM 0 HG2 LYS A 388 4.892 -11.287 0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 388 6.631 -11.389 -0.001 1.00 0.00 H new ATOM 0 HD2 LYS A 388 6.455 -10.522 2.620 1.00 0.00 H new ATOM 0 HD3 LYS A 388 4.983 -11.466 2.498 1.00 0.00 H new ATOM 0 HE2 LYS A 388 6.160 -13.490 2.039 1.00 0.00 H new ATOM 0 HE3 LYS A 388 7.567 -12.653 1.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 7.949 -13.423 3.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 7.971 -11.726 3.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 6.608 -12.537 4.248 1.00 0.00 H new ATOM 380 N ASN A 389 2.673 -8.827 -1.342 1.00 0.00 N ATOM 381 CA ASN A 389 1.998 -9.280 -2.599 1.00 0.00 C ATOM 382 C ASN A 389 2.034 -8.159 -3.651 1.00 0.00 C ATOM 383 O ASN A 389 1.952 -6.996 -3.304 1.00 0.00 O ATOM 384 CB ASN A 389 0.550 -9.586 -2.201 1.00 0.00 C ATOM 385 CG ASN A 389 0.424 -11.065 -1.815 1.00 0.00 C ATOM 386 OD1 ASN A 389 1.371 -11.660 -1.343 1.00 0.00 O ATOM 387 ND2 ASN A 389 -0.713 -11.693 -1.997 1.00 0.00 N ATOM 0 H ASN A 389 2.154 -8.142 -0.793 1.00 0.00 H new ATOM 0 HA ASN A 389 2.490 -10.150 -3.033 1.00 0.00 H new ATOM 0 HB2 ASN A 389 0.251 -8.955 -1.364 1.00 0.00 H new ATOM 0 HB3 ASN A 389 -0.121 -9.357 -3.029 1.00 0.00 H new ATOM 0 HD21 ASN A 389 -0.799 -12.677 -1.742 1.00 0.00 H new ATOM 0 HD22 ASN A 389 -1.512 -11.197 -2.393 1.00 0.00 H new ATOM 394 N PRO A 390 2.146 -8.533 -4.909 1.00 0.00 N ATOM 395 CA PRO A 390 2.176 -7.517 -5.983 1.00 0.00 C ATOM 396 C PRO A 390 0.764 -6.937 -6.214 1.00 0.00 C ATOM 397 O PRO A 390 0.525 -5.790 -5.907 1.00 0.00 O ATOM 398 CB PRO A 390 2.719 -8.279 -7.194 1.00 0.00 C ATOM 399 CG PRO A 390 2.433 -9.730 -6.933 1.00 0.00 C ATOM 400 CD PRO A 390 2.245 -9.904 -5.443 1.00 0.00 C ATOM 0 HA PRO A 390 2.797 -6.651 -5.753 1.00 0.00 H new ATOM 0 HB2 PRO A 390 2.237 -7.946 -8.113 1.00 0.00 H new ATOM 0 HB3 PRO A 390 3.789 -8.108 -7.315 1.00 0.00 H new ATOM 0 HG2 PRO A 390 1.539 -10.046 -7.470 1.00 0.00 H new ATOM 0 HG3 PRO A 390 3.255 -10.351 -7.289 1.00 0.00 H new ATOM 0 HD2 PRO A 390 1.346 -10.479 -5.223 1.00 0.00 H new ATOM 0 HD3 PRO A 390 3.083 -10.441 -4.999 1.00 0.00 H new ATOM 408 N VAL A 391 -0.172 -7.706 -6.749 1.00 0.00 N ATOM 409 CA VAL A 391 -1.576 -7.171 -6.989 1.00 0.00 C ATOM 410 C VAL A 391 -2.085 -6.375 -5.758 1.00 0.00 C ATOM 411 O VAL A 391 -2.834 -5.427 -5.907 1.00 0.00 O ATOM 412 CB VAL A 391 -2.472 -8.400 -7.250 1.00 0.00 C ATOM 413 CG1 VAL A 391 -3.939 -7.972 -7.393 1.00 0.00 C ATOM 414 CG2 VAL A 391 -2.028 -9.088 -8.544 1.00 0.00 C ATOM 0 H VAL A 391 -0.030 -8.676 -7.030 1.00 0.00 H new ATOM 0 HA VAL A 391 -1.591 -6.484 -7.835 1.00 0.00 H new ATOM 0 HB VAL A 391 -2.379 -9.086 -6.408 1.00 0.00 H new ATOM 0 HG11 VAL A 391 -4.558 -8.850 -7.577 1.00 0.00 H new ATOM 0 HG12 VAL A 391 -4.266 -7.483 -6.476 1.00 0.00 H new ATOM 0 HG13 VAL A 391 -4.036 -7.279 -8.228 1.00 0.00 H new ATOM 0 HG21 VAL A 391 -2.660 -9.956 -8.730 1.00 0.00 H new ATOM 0 HG22 VAL A 391 -2.117 -8.390 -9.376 1.00 0.00 H new ATOM 0 HG23 VAL A 391 -0.990 -9.408 -8.448 1.00 0.00 H new ATOM 424 N HIS A 392 -1.658 -6.719 -4.556 1.00 0.00 N ATOM 425 CA HIS A 392 -2.095 -5.932 -3.347 1.00 0.00 C ATOM 426 C HIS A 392 -1.556 -4.487 -3.463 1.00 0.00 C ATOM 427 O HIS A 392 -2.231 -3.545 -3.095 1.00 0.00 O ATOM 428 CB HIS A 392 -1.480 -6.660 -2.128 1.00 0.00 C ATOM 429 CG HIS A 392 -1.570 -5.808 -0.885 1.00 0.00 C ATOM 430 ND1 HIS A 392 -2.651 -5.867 -0.020 1.00 0.00 N ATOM 431 CD2 HIS A 392 -0.712 -4.878 -0.355 1.00 0.00 C ATOM 432 CE1 HIS A 392 -2.417 -4.995 0.978 1.00 0.00 C ATOM 433 NE2 HIS A 392 -1.247 -4.367 0.824 1.00 0.00 N ATOM 0 H HIS A 392 -1.033 -7.502 -4.362 1.00 0.00 H new ATOM 0 HA HIS A 392 -3.179 -5.871 -3.254 1.00 0.00 H new ATOM 0 HB2 HIS A 392 -1.999 -7.604 -1.964 1.00 0.00 H new ATOM 0 HB3 HIS A 392 -0.437 -6.901 -2.333 1.00 0.00 H new ATOM 0 HD1 HIS A 392 -3.473 -6.462 -0.121 1.00 0.00 H new ATOM 0 HD2 HIS A 392 0.234 -4.587 -0.787 1.00 0.00 H new ATOM 0 HE1 HIS A 392 -3.092 -4.823 1.803 1.00 0.00 H new ATOM 441 N PHE A 393 -0.361 -4.300 -4.007 1.00 0.00 N ATOM 442 CA PHE A 393 0.168 -2.895 -4.174 1.00 0.00 C ATOM 443 C PHE A 393 -0.805 -2.087 -5.048 1.00 0.00 C ATOM 444 O PHE A 393 -0.901 -0.882 -4.916 1.00 0.00 O ATOM 445 CB PHE A 393 1.533 -2.998 -4.871 1.00 0.00 C ATOM 446 CG PHE A 393 2.625 -3.117 -3.834 1.00 0.00 C ATOM 447 CD1 PHE A 393 2.958 -1.999 -3.023 1.00 0.00 C ATOM 448 CD2 PHE A 393 3.319 -4.345 -3.673 1.00 0.00 C ATOM 449 CE1 PHE A 393 3.987 -2.112 -2.049 1.00 0.00 C ATOM 450 CE2 PHE A 393 4.346 -4.458 -2.699 1.00 0.00 C ATOM 451 CZ PHE A 393 4.680 -3.341 -1.887 1.00 0.00 C ATOM 0 H PHE A 393 0.256 -5.043 -4.335 1.00 0.00 H new ATOM 0 HA PHE A 393 0.268 -2.396 -3.210 1.00 0.00 H new ATOM 0 HB2 PHE A 393 1.550 -3.864 -5.533 1.00 0.00 H new ATOM 0 HB3 PHE A 393 1.702 -2.119 -5.493 1.00 0.00 H new ATOM 0 HD1 PHE A 393 2.430 -1.065 -3.146 1.00 0.00 H new ATOM 0 HD2 PHE A 393 3.066 -5.193 -4.291 1.00 0.00 H new ATOM 0 HE1 PHE A 393 4.242 -1.263 -1.432 1.00 0.00 H new ATOM 0 HE2 PHE A 393 4.873 -5.393 -2.575 1.00 0.00 H new ATOM 0 HZ PHE A 393 5.461 -3.427 -1.146 1.00 0.00 H new ATOM 461 N GLN A 394 -1.546 -2.740 -5.931 1.00 0.00 N ATOM 462 CA GLN A 394 -2.523 -1.979 -6.782 1.00 0.00 C ATOM 463 C GLN A 394 -3.844 -1.775 -6.020 1.00 0.00 C ATOM 464 O GLN A 394 -4.519 -0.787 -6.218 1.00 0.00 O ATOM 465 CB GLN A 394 -2.771 -2.823 -8.039 1.00 0.00 C ATOM 466 CG GLN A 394 -1.543 -2.771 -8.951 1.00 0.00 C ATOM 467 CD GLN A 394 -0.699 -4.031 -8.742 1.00 0.00 C ATOM 468 OE1 GLN A 394 -0.932 -5.038 -9.382 1.00 0.00 O ATOM 469 NE2 GLN A 394 0.278 -4.024 -7.873 1.00 0.00 N ATOM 0 H GLN A 394 -1.514 -3.747 -6.093 1.00 0.00 H new ATOM 0 HA GLN A 394 -2.129 -0.996 -7.040 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -2.984 -3.855 -7.759 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -3.646 -2.450 -8.571 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -1.854 -2.697 -9.993 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -0.951 -1.883 -8.731 1.00 0.00 H new ATOM 0 HE21 GLN A 394 0.476 -3.180 -7.335 1.00 0.00 H new ATOM 0 HE22 GLN A 394 0.842 -4.862 -7.733 1.00 0.00 H new ATOM 478 N HIS A 395 -4.224 -2.696 -5.150 1.00 0.00 N ATOM 479 CA HIS A 395 -5.512 -2.518 -4.389 1.00 0.00 C ATOM 480 C HIS A 395 -5.364 -1.431 -3.309 1.00 0.00 C ATOM 481 O HIS A 395 -6.333 -0.784 -2.955 1.00 0.00 O ATOM 482 CB HIS A 395 -5.823 -3.869 -3.727 1.00 0.00 C ATOM 483 CG HIS A 395 -6.128 -4.895 -4.784 1.00 0.00 C ATOM 484 ND1 HIS A 395 -6.720 -6.112 -4.481 1.00 0.00 N ATOM 485 CD2 HIS A 395 -5.931 -4.902 -6.144 1.00 0.00 C ATOM 486 CE1 HIS A 395 -6.858 -6.795 -5.633 1.00 0.00 C ATOM 487 NE2 HIS A 395 -6.393 -6.102 -6.676 1.00 0.00 N ATOM 0 H HIS A 395 -3.706 -3.549 -4.938 1.00 0.00 H new ATOM 0 HA HIS A 395 -6.313 -2.206 -5.060 1.00 0.00 H new ATOM 0 HB2 HIS A 395 -4.974 -4.194 -3.126 1.00 0.00 H new ATOM 0 HB3 HIS A 395 -6.672 -3.766 -3.051 1.00 0.00 H new ATOM 0 HD2 HIS A 395 -5.486 -4.099 -6.713 1.00 0.00 H new ATOM 0 HE1 HIS A 395 -7.291 -7.782 -5.705 1.00 0.00 H new ATOM 0 HE2 HIS A 395 -6.379 -6.391 -7.654 1.00 0.00 H new ATOM 496 N PHE A 396 -4.176 -1.225 -2.767 1.00 0.00 N ATOM 497 CA PHE A 396 -4.014 -0.182 -1.708 1.00 0.00 C ATOM 498 C PHE A 396 -2.694 0.583 -1.891 1.00 0.00 C ATOM 499 O PHE A 396 -1.698 0.023 -2.309 1.00 0.00 O ATOM 500 CB PHE A 396 -3.970 -0.945 -0.382 1.00 0.00 C ATOM 501 CG PHE A 396 -5.183 -1.836 -0.229 1.00 0.00 C ATOM 502 CD1 PHE A 396 -5.160 -3.158 -0.749 1.00 0.00 C ATOM 503 CD2 PHE A 396 -6.340 -1.353 0.438 1.00 0.00 C ATOM 504 CE1 PHE A 396 -6.296 -3.999 -0.600 1.00 0.00 C ATOM 505 CE2 PHE A 396 -7.476 -2.194 0.586 1.00 0.00 C ATOM 506 CZ PHE A 396 -7.453 -3.517 0.067 1.00 0.00 C ATOM 0 H PHE A 396 -3.326 -1.732 -3.014 1.00 0.00 H new ATOM 0 HA PHE A 396 -4.825 0.545 -1.749 1.00 0.00 H new ATOM 0 HB2 PHE A 396 -3.063 -1.548 -0.335 1.00 0.00 H new ATOM 0 HB3 PHE A 396 -3.926 -0.239 0.447 1.00 0.00 H new ATOM 0 HD1 PHE A 396 -4.280 -3.524 -1.257 1.00 0.00 H new ATOM 0 HD2 PHE A 396 -6.357 -0.348 0.832 1.00 0.00 H new ATOM 0 HE1 PHE A 396 -6.279 -5.004 -0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 396 -8.357 -1.828 1.093 1.00 0.00 H new ATOM 0 HZ PHE A 396 -8.316 -4.156 0.180 1.00 0.00 H new ATOM 516 N SER A 397 -2.681 1.858 -1.570 1.00 0.00 N ATOM 517 CA SER A 397 -1.431 2.665 -1.713 1.00 0.00 C ATOM 518 C SER A 397 -0.605 2.619 -0.425 1.00 0.00 C ATOM 519 O SER A 397 -1.096 2.260 0.628 1.00 0.00 O ATOM 520 CB SER A 397 -1.874 4.110 -1.988 1.00 0.00 C ATOM 521 OG SER A 397 -2.422 4.194 -3.294 1.00 0.00 O ATOM 0 H SER A 397 -3.487 2.373 -1.214 1.00 0.00 H new ATOM 0 HA SER A 397 -0.810 2.272 -2.518 1.00 0.00 H new ATOM 0 HB2 SER A 397 -2.614 4.422 -1.251 1.00 0.00 H new ATOM 0 HB3 SER A 397 -1.025 4.787 -1.894 1.00 0.00 H new ATOM 0 HG SER A 397 -2.463 5.133 -3.572 1.00 0.00 H new ATOM 527 N HIS A 398 0.653 2.986 -0.510 1.00 0.00 N ATOM 528 CA HIS A 398 1.526 2.974 0.693 1.00 0.00 C ATOM 529 C HIS A 398 2.414 4.222 0.690 1.00 0.00 C ATOM 530 O HIS A 398 2.607 4.828 -0.346 1.00 0.00 O ATOM 531 CB HIS A 398 2.394 1.719 0.560 1.00 0.00 C ATOM 532 CG HIS A 398 1.539 0.481 0.562 1.00 0.00 C ATOM 533 ND1 HIS A 398 0.988 -0.038 -0.600 1.00 0.00 N ATOM 534 CD2 HIS A 398 1.159 -0.370 1.570 1.00 0.00 C ATOM 535 CE1 HIS A 398 0.314 -1.156 -0.266 1.00 0.00 C ATOM 536 NE2 HIS A 398 0.388 -1.404 1.046 1.00 0.00 N ATOM 0 H HIS A 398 1.109 3.294 -1.369 1.00 0.00 H new ATOM 0 HA HIS A 398 0.950 2.970 1.618 1.00 0.00 H new ATOM 0 HB2 HIS A 398 2.972 1.766 -0.363 1.00 0.00 H new ATOM 0 HB3 HIS A 398 3.108 1.676 1.382 1.00 0.00 H new ATOM 0 HD1 HIS A 398 1.077 0.355 -1.537 1.00 0.00 H new ATOM 0 HD2 HIS A 398 1.419 -0.255 2.612 1.00 0.00 H new ATOM 0 HE1 HIS A 398 -0.220 -1.776 -0.971 1.00 0.00 H new ATOM 544 N PRO A 399 2.953 4.568 1.840 1.00 0.00 N ATOM 545 CA PRO A 399 3.845 5.750 1.918 1.00 0.00 C ATOM 546 C PRO A 399 5.075 5.475 1.041 1.00 0.00 C ATOM 547 O PRO A 399 5.556 4.357 0.991 1.00 0.00 O ATOM 548 CB PRO A 399 4.188 5.843 3.408 1.00 0.00 C ATOM 549 CG PRO A 399 3.978 4.460 3.925 1.00 0.00 C ATOM 550 CD PRO A 399 2.815 3.908 3.146 1.00 0.00 C ATOM 0 HA PRO A 399 3.413 6.685 1.562 1.00 0.00 H new ATOM 0 HB2 PRO A 399 5.216 6.172 3.559 1.00 0.00 H new ATOM 0 HB3 PRO A 399 3.546 6.560 3.919 1.00 0.00 H new ATOM 0 HG2 PRO A 399 4.870 3.849 3.783 1.00 0.00 H new ATOM 0 HG3 PRO A 399 3.765 4.469 4.994 1.00 0.00 H new ATOM 0 HD2 PRO A 399 2.866 2.823 3.058 1.00 0.00 H new ATOM 0 HD3 PRO A 399 1.862 4.145 3.620 1.00 0.00 H new ATOM 558 N GLY A 400 5.562 6.457 0.314 1.00 0.00 N ATOM 559 CA GLY A 400 6.727 6.203 -0.587 1.00 0.00 C ATOM 560 C GLY A 400 6.239 5.954 -2.039 1.00 0.00 C ATOM 561 O GLY A 400 7.047 5.802 -2.936 1.00 0.00 O ATOM 0 H GLY A 400 5.205 7.412 0.308 1.00 0.00 H new ATOM 0 HA2 GLY A 400 7.405 7.056 -0.565 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.289 5.339 -0.232 1.00 0.00 H new ATOM 565 N ASP A 401 4.935 5.935 -2.294 1.00 0.00 N ATOM 566 CA ASP A 401 4.443 5.725 -3.679 1.00 0.00 C ATOM 567 C ASP A 401 3.745 7.009 -4.127 1.00 0.00 C ATOM 568 O ASP A 401 3.096 7.662 -3.330 1.00 0.00 O ATOM 569 CB ASP A 401 3.450 4.561 -3.587 1.00 0.00 C ATOM 570 CG ASP A 401 4.204 3.234 -3.707 1.00 0.00 C ATOM 571 OD1 ASP A 401 5.187 3.195 -4.428 1.00 0.00 O ATOM 572 OD2 ASP A 401 3.784 2.276 -3.077 1.00 0.00 O ATOM 0 H ASP A 401 4.206 6.057 -1.591 1.00 0.00 H new ATOM 0 HA ASP A 401 5.233 5.498 -4.394 1.00 0.00 H new ATOM 0 HB2 ASP A 401 2.913 4.602 -2.639 1.00 0.00 H new ATOM 0 HB3 ASP A 401 2.705 4.641 -4.379 1.00 0.00 H new ATOM 577 N SER A 402 3.867 7.392 -5.378 1.00 0.00 N ATOM 578 CA SER A 402 3.196 8.663 -5.828 1.00 0.00 C ATOM 579 C SER A 402 1.699 8.656 -5.463 1.00 0.00 C ATOM 580 O SER A 402 1.106 9.704 -5.281 1.00 0.00 O ATOM 581 CB SER A 402 3.363 8.735 -7.356 1.00 0.00 C ATOM 582 OG SER A 402 4.682 9.164 -7.665 1.00 0.00 O ATOM 0 H SER A 402 4.391 6.893 -6.097 1.00 0.00 H new ATOM 0 HA SER A 402 3.645 9.526 -5.336 1.00 0.00 H new ATOM 0 HB2 SER A 402 3.173 7.758 -7.800 1.00 0.00 H new ATOM 0 HB3 SER A 402 2.635 9.426 -7.781 1.00 0.00 H new ATOM 0 HG SER A 402 4.792 9.209 -8.638 1.00 0.00 H new ATOM 588 N ASP A 403 1.058 7.501 -5.417 1.00 0.00 N ATOM 589 CA ASP A 403 -0.427 7.475 -5.138 1.00 0.00 C ATOM 590 C ASP A 403 -0.805 7.465 -3.641 1.00 0.00 C ATOM 591 O ASP A 403 -1.982 7.455 -3.339 1.00 0.00 O ATOM 592 CB ASP A 403 -0.942 6.179 -5.790 1.00 0.00 C ATOM 593 CG ASP A 403 -0.755 6.236 -7.311 1.00 0.00 C ATOM 594 OD1 ASP A 403 0.079 7.004 -7.766 1.00 0.00 O ATOM 595 OD2 ASP A 403 -1.445 5.500 -7.997 1.00 0.00 O ATOM 0 H ASP A 403 1.490 6.588 -5.558 1.00 0.00 H new ATOM 0 HA ASP A 403 -0.870 8.388 -5.535 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -0.406 5.322 -5.383 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -1.996 6.038 -5.552 1.00 0.00 H new ATOM 600 N TYR A 404 0.135 7.446 -2.700 1.00 0.00 N ATOM 601 CA TYR A 404 -0.257 7.425 -1.219 1.00 0.00 C ATOM 602 C TYR A 404 -1.448 8.370 -0.951 1.00 0.00 C ATOM 603 O TYR A 404 -1.354 9.565 -1.159 1.00 0.00 O ATOM 604 CB TYR A 404 0.985 7.901 -0.447 1.00 0.00 C ATOM 605 CG TYR A 404 0.855 7.586 1.029 1.00 0.00 C ATOM 606 CD1 TYR A 404 0.403 6.306 1.463 1.00 0.00 C ATOM 607 CD2 TYR A 404 1.201 8.574 1.989 1.00 0.00 C ATOM 608 CE1 TYR A 404 0.298 6.023 2.853 1.00 0.00 C ATOM 609 CE2 TYR A 404 1.100 8.290 3.377 1.00 0.00 C ATOM 610 CZ TYR A 404 0.647 7.014 3.811 1.00 0.00 C ATOM 611 OH TYR A 404 0.549 6.738 5.160 1.00 0.00 O ATOM 0 H TYR A 404 1.139 7.444 -2.882 1.00 0.00 H new ATOM 0 HA TYR A 404 -0.568 6.428 -0.909 1.00 0.00 H new ATOM 0 HB2 TYR A 404 1.876 7.418 -0.849 1.00 0.00 H new ATOM 0 HB3 TYR A 404 1.115 8.975 -0.584 1.00 0.00 H new ATOM 0 HD1 TYR A 404 0.140 5.551 0.737 1.00 0.00 H new ATOM 0 HD2 TYR A 404 1.542 9.545 1.662 1.00 0.00 H new ATOM 0 HE1 TYR A 404 -0.047 5.054 3.181 1.00 0.00 H new ATOM 0 HE2 TYR A 404 1.367 9.044 4.103 1.00 0.00 H new ATOM 0 HH TYR A 404 0.827 7.524 5.676 1.00 0.00 H new ATOM 621 N GLY A 405 -2.575 7.832 -0.522 1.00 0.00 N ATOM 622 CA GLY A 405 -3.765 8.708 -0.286 1.00 0.00 C ATOM 623 C GLY A 405 -4.809 8.003 0.596 1.00 0.00 C ATOM 624 O GLY A 405 -5.807 7.508 0.105 1.00 0.00 O ATOM 0 H GLY A 405 -2.715 6.840 -0.330 1.00 0.00 H new ATOM 0 HA2 GLY A 405 -3.448 9.635 0.192 1.00 0.00 H new ATOM 0 HA3 GLY A 405 -4.215 8.979 -1.241 1.00 0.00 H new ATOM 628 N GLY A 406 -4.598 7.977 1.894 1.00 0.00 N ATOM 629 CA GLY A 406 -5.605 7.329 2.791 1.00 0.00 C ATOM 630 C GLY A 406 -5.549 7.913 4.208 1.00 0.00 C ATOM 631 O GLY A 406 -6.553 8.370 4.724 1.00 0.00 O ATOM 0 H GLY A 406 -3.783 8.371 2.363 1.00 0.00 H new ATOM 0 HA2 GLY A 406 -6.604 7.467 2.378 1.00 0.00 H new ATOM 0 HA3 GLY A 406 -5.422 6.255 2.831 1.00 0.00 H new ATOM 635 N VAL A 407 -4.406 7.872 4.863 1.00 0.00 N ATOM 636 CA VAL A 407 -4.341 8.397 6.265 1.00 0.00 C ATOM 637 C VAL A 407 -3.322 9.543 6.412 1.00 0.00 C ATOM 638 O VAL A 407 -2.255 9.364 6.968 1.00 0.00 O ATOM 639 CB VAL A 407 -3.945 7.184 7.121 1.00 0.00 C ATOM 640 CG1 VAL A 407 -2.545 6.677 6.733 1.00 0.00 C ATOM 641 CG2 VAL A 407 -3.962 7.586 8.598 1.00 0.00 C ATOM 0 H VAL A 407 -3.530 7.503 4.492 1.00 0.00 H new ATOM 0 HA VAL A 407 -5.294 8.828 6.573 1.00 0.00 H new ATOM 0 HB VAL A 407 -4.659 6.379 6.948 1.00 0.00 H new ATOM 0 HG11 VAL A 407 -2.285 5.818 7.351 1.00 0.00 H new ATOM 0 HG12 VAL A 407 -2.543 6.383 5.684 1.00 0.00 H new ATOM 0 HG13 VAL A 407 -1.814 7.471 6.889 1.00 0.00 H new ATOM 0 HG21 VAL A 407 -3.682 6.730 9.211 1.00 0.00 H new ATOM 0 HG22 VAL A 407 -3.253 8.398 8.762 1.00 0.00 H new ATOM 0 HG23 VAL A 407 -4.963 7.917 8.873 1.00 0.00 H new ATOM 651 N GLN A 408 -3.653 10.729 5.944 1.00 0.00 N ATOM 652 CA GLN A 408 -2.712 11.880 6.087 1.00 0.00 C ATOM 653 C GLN A 408 -3.491 13.142 6.495 1.00 0.00 C ATOM 654 O GLN A 408 -3.872 13.939 5.656 1.00 0.00 O ATOM 655 CB GLN A 408 -2.070 12.049 4.708 1.00 0.00 C ATOM 656 CG GLN A 408 -1.039 10.936 4.488 1.00 0.00 C ATOM 657 CD GLN A 408 -1.046 10.512 3.015 1.00 0.00 C ATOM 658 OE1 GLN A 408 -0.678 11.284 2.152 1.00 0.00 O ATOM 659 NE2 GLN A 408 -1.449 9.307 2.681 1.00 0.00 N ATOM 0 H GLN A 408 -4.531 10.943 5.472 1.00 0.00 H new ATOM 0 HA GLN A 408 -1.958 11.712 6.856 1.00 0.00 H new ATOM 0 HB2 GLN A 408 -2.834 12.011 3.932 1.00 0.00 H new ATOM 0 HB3 GLN A 408 -1.590 13.025 4.635 1.00 0.00 H new ATOM 0 HG2 GLN A 408 -0.046 11.285 4.772 1.00 0.00 H new ATOM 0 HG3 GLN A 408 -1.270 10.081 5.124 1.00 0.00 H new ATOM 0 HE21 GLN A 408 -1.759 8.655 3.402 1.00 0.00 H new ATOM 0 HE22 GLN A 408 -1.452 9.024 1.701 1.00 0.00 H new ATOM 668 N ILE A 409 -3.733 13.332 7.778 1.00 0.00 N ATOM 669 CA ILE A 409 -4.490 14.547 8.227 1.00 0.00 C ATOM 670 C ILE A 409 -3.513 15.598 8.772 1.00 0.00 C ATOM 671 O ILE A 409 -3.512 15.901 9.951 1.00 0.00 O ATOM 672 CB ILE A 409 -5.447 14.067 9.333 1.00 0.00 C ATOM 673 CG1 ILE A 409 -6.378 12.983 8.780 1.00 0.00 C ATOM 674 CG2 ILE A 409 -6.286 15.246 9.841 1.00 0.00 C ATOM 675 CD1 ILE A 409 -6.687 11.967 9.881 1.00 0.00 C ATOM 0 H ILE A 409 -3.440 12.702 8.525 1.00 0.00 H new ATOM 0 HA ILE A 409 -5.040 15.010 7.407 1.00 0.00 H new ATOM 0 HB ILE A 409 -4.861 13.657 10.156 1.00 0.00 H new ATOM 0 HG12 ILE A 409 -7.302 13.433 8.416 1.00 0.00 H new ATOM 0 HG13 ILE A 409 -5.910 12.485 7.931 1.00 0.00 H new ATOM 0 HG21 ILE A 409 -6.962 14.901 10.624 1.00 0.00 H new ATOM 0 HG22 ILE A 409 -5.627 16.015 10.244 1.00 0.00 H new ATOM 0 HG23 ILE A 409 -6.867 15.661 9.017 1.00 0.00 H new ATOM 0 HD11 ILE A 409 -7.349 11.195 9.489 1.00 0.00 H new ATOM 0 HD12 ILE A 409 -5.759 11.509 10.224 1.00 0.00 H new ATOM 0 HD13 ILE A 409 -7.173 12.472 10.716 1.00 0.00 H new ATOM 687 N VAL A 410 -2.691 16.167 7.919 1.00 0.00 N ATOM 688 CA VAL A 410 -1.729 17.208 8.384 1.00 0.00 C ATOM 689 C VAL A 410 -2.105 18.550 7.743 1.00 0.00 C ATOM 690 O VAL A 410 -1.500 18.968 6.773 1.00 0.00 O ATOM 691 CB VAL A 410 -0.355 16.737 7.898 1.00 0.00 C ATOM 692 CG1 VAL A 410 0.714 17.745 8.323 1.00 0.00 C ATOM 693 CG2 VAL A 410 -0.035 15.372 8.515 1.00 0.00 C ATOM 0 H VAL A 410 -2.648 15.953 6.923 1.00 0.00 H new ATOM 0 HA VAL A 410 -1.736 17.343 9.466 1.00 0.00 H new ATOM 0 HB VAL A 410 -0.367 16.655 6.811 1.00 0.00 H new ATOM 0 HG11 VAL A 410 1.691 17.408 7.976 1.00 0.00 H new ATOM 0 HG12 VAL A 410 0.490 18.718 7.887 1.00 0.00 H new ATOM 0 HG13 VAL A 410 0.724 17.828 9.410 1.00 0.00 H new ATOM 0 HG21 VAL A 410 0.943 15.037 8.169 1.00 0.00 H new ATOM 0 HG22 VAL A 410 -0.026 15.457 9.602 1.00 0.00 H new ATOM 0 HG23 VAL A 410 -0.794 14.650 8.214 1.00 0.00 H new ATOM 703 N GLY A 411 -3.117 19.217 8.258 1.00 0.00 N ATOM 704 CA GLY A 411 -3.543 20.509 7.654 1.00 0.00 C ATOM 705 C GLY A 411 -4.391 20.203 6.414 1.00 0.00 C ATOM 706 O GLY A 411 -4.067 20.613 5.317 1.00 0.00 O ATOM 0 H GLY A 411 -3.660 18.917 9.068 1.00 0.00 H new ATOM 0 HA2 GLY A 411 -4.118 21.093 8.373 1.00 0.00 H new ATOM 0 HA3 GLY A 411 -2.673 21.106 7.381 1.00 0.00 H new ATOM 710 N GLN A 412 -5.473 19.462 6.580 1.00 0.00 N ATOM 711 CA GLN A 412 -6.347 19.102 5.400 1.00 0.00 C ATOM 712 C GLN A 412 -6.670 20.350 4.555 1.00 0.00 C ATOM 713 O GLN A 412 -6.281 20.441 3.407 1.00 0.00 O ATOM 714 CB GLN A 412 -7.647 18.518 5.980 1.00 0.00 C ATOM 715 CG GLN A 412 -7.354 17.174 6.653 1.00 0.00 C ATOM 716 CD GLN A 412 -8.239 17.020 7.897 1.00 0.00 C ATOM 717 OE1 GLN A 412 -9.175 16.245 7.892 1.00 0.00 O ATOM 718 NE2 GLN A 412 -7.988 17.728 8.974 1.00 0.00 N ATOM 0 H GLN A 412 -5.788 19.092 7.477 1.00 0.00 H new ATOM 0 HA GLN A 412 -5.839 18.389 4.750 1.00 0.00 H new ATOM 0 HB2 GLN A 412 -8.078 19.211 6.703 1.00 0.00 H new ATOM 0 HB3 GLN A 412 -8.383 18.386 5.187 1.00 0.00 H new ATOM 0 HG2 GLN A 412 -7.543 16.358 5.956 1.00 0.00 H new ATOM 0 HG3 GLN A 412 -6.302 17.117 6.933 1.00 0.00 H new ATOM 0 HE21 GLN A 412 -7.204 18.380 8.984 1.00 0.00 H new ATOM 0 HE22 GLN A 412 -8.577 17.626 9.800 1.00 0.00 H new ATOM 727 N ASP A 413 -7.374 21.313 5.116 1.00 0.00 N ATOM 728 CA ASP A 413 -7.709 22.545 4.340 1.00 0.00 C ATOM 729 C ASP A 413 -7.750 23.770 5.269 1.00 0.00 C ATOM 730 O ASP A 413 -8.571 24.651 5.097 1.00 0.00 O ATOM 731 CB ASP A 413 -9.093 22.274 3.748 1.00 0.00 C ATOM 732 CG ASP A 413 -9.160 22.827 2.323 1.00 0.00 C ATOM 733 OD1 ASP A 413 -9.396 24.015 2.181 1.00 0.00 O ATOM 734 OD2 ASP A 413 -8.973 22.053 1.398 1.00 0.00 O ATOM 0 H ASP A 413 -7.727 21.294 6.073 1.00 0.00 H new ATOM 0 HA ASP A 413 -6.969 22.760 3.569 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -9.294 21.203 3.743 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -9.861 22.739 4.366 1.00 0.00 H new ATOM 739 N GLU A 414 -6.873 23.840 6.257 1.00 0.00 N ATOM 740 CA GLU A 414 -6.869 25.014 7.194 1.00 0.00 C ATOM 741 C GLU A 414 -8.267 25.234 7.795 1.00 0.00 C ATOM 742 O GLU A 414 -8.714 26.358 7.933 1.00 0.00 O ATOM 743 CB GLU A 414 -6.454 26.215 6.339 1.00 0.00 C ATOM 744 CG GLU A 414 -5.946 27.337 7.248 1.00 0.00 C ATOM 745 CD GLU A 414 -6.096 28.681 6.533 1.00 0.00 C ATOM 746 OE1 GLU A 414 -7.220 29.053 6.244 1.00 0.00 O ATOM 747 OE2 GLU A 414 -5.082 29.314 6.288 1.00 0.00 O ATOM 0 H GLU A 414 -6.163 23.134 6.450 1.00 0.00 H new ATOM 0 HA GLU A 414 -6.190 24.860 8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 414 -5.675 25.922 5.635 1.00 0.00 H new ATOM 0 HB3 GLU A 414 -7.301 26.565 5.749 1.00 0.00 H new ATOM 0 HG2 GLU A 414 -6.508 27.345 8.182 1.00 0.00 H new ATOM 0 HG3 GLU A 414 -4.901 27.165 7.506 1.00 0.00 H new ATOM 754 N THR A 415 -8.958 24.174 8.161 1.00 0.00 N ATOM 755 CA THR A 415 -10.318 24.337 8.757 1.00 0.00 C ATOM 756 C THR A 415 -10.446 23.481 10.025 1.00 0.00 C ATOM 757 O THR A 415 -11.278 22.594 10.099 1.00 0.00 O ATOM 758 CB THR A 415 -11.303 23.865 7.683 1.00 0.00 C ATOM 759 OG1 THR A 415 -12.626 23.934 8.198 1.00 0.00 O ATOM 760 CG2 THR A 415 -10.991 22.421 7.276 1.00 0.00 C ATOM 0 H THR A 415 -8.636 23.210 8.071 1.00 0.00 H new ATOM 0 HA THR A 415 -10.513 25.369 9.047 1.00 0.00 H new ATOM 0 HB THR A 415 -11.211 24.508 6.807 1.00 0.00 H new ATOM 0 HG1 THR A 415 -12.706 23.342 8.975 1.00 0.00 H new ATOM 0 HG21 THR A 415 -11.698 22.097 6.512 1.00 0.00 H new ATOM 0 HG22 THR A 415 -9.977 22.366 6.879 1.00 0.00 H new ATOM 0 HG23 THR A 415 -11.075 21.771 8.147 1.00 0.00 H new ATOM 768 N ASP A 416 -9.639 23.744 11.032 1.00 0.00 N ATOM 769 CA ASP A 416 -9.738 22.945 12.293 1.00 0.00 C ATOM 770 C ASP A 416 -10.460 23.763 13.376 1.00 0.00 C ATOM 771 O ASP A 416 -10.092 23.721 14.535 1.00 0.00 O ATOM 772 CB ASP A 416 -8.294 22.649 12.715 1.00 0.00 C ATOM 773 CG ASP A 416 -7.777 21.431 11.948 1.00 0.00 C ATOM 774 OD1 ASP A 416 -7.972 21.387 10.744 1.00 0.00 O ATOM 775 OD2 ASP A 416 -7.196 20.562 12.577 1.00 0.00 O ATOM 0 H ASP A 416 -8.924 24.471 11.032 1.00 0.00 H new ATOM 0 HA ASP A 416 -10.305 22.025 12.149 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -7.661 23.514 12.515 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -8.249 22.462 13.788 1.00 0.00 H new ATOM 780 N ASP A 417 -11.487 24.509 13.011 1.00 0.00 N ATOM 781 CA ASP A 417 -12.219 25.321 14.028 1.00 0.00 C ATOM 782 C ASP A 417 -13.731 25.182 13.828 1.00 0.00 C ATOM 783 O ASP A 417 -14.375 24.618 14.698 1.00 0.00 O ATOM 784 CB ASP A 417 -11.776 26.762 13.778 1.00 0.00 C ATOM 785 CG ASP A 417 -10.319 26.932 14.214 1.00 0.00 C ATOM 786 OD1 ASP A 417 -10.070 26.884 15.407 1.00 0.00 O ATOM 787 OD2 ASP A 417 -9.478 27.106 13.347 1.00 0.00 O ATOM 0 H ASP A 417 -11.842 24.585 12.058 1.00 0.00 H new ATOM 0 HA ASP A 417 -12.003 24.999 15.047 1.00 0.00 H new ATOM 0 HB2 ASP A 417 -11.881 27.008 12.721 1.00 0.00 H new ATOM 0 HB3 ASP A 417 -12.415 27.451 14.331 1.00 0.00 H new TER 792 ASP A 417 HETATM 793 ZN ZN A1001 -0.439 -2.953 2.098 1.00 0.00 ZN