USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 556 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 63 GLN : amide:sc= -3.9! C(o=-8.7!,f=-11!) USER MOD Set 1.2: A 67 GLN : amide:sc= -4.8! C(o=-8.7!,f=-9.7!) USER MOD Set 2.1: A 11 SER OG : rot -5:sc= 0.252 USER MOD Set 2.2: A 15 THR OG1 : rot 39:sc= 0.788! USER MOD Single : A 5 LYS NZ :NH3+ -160:sc= -0.0421 (180deg=-0.518) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 53:sc= 1.11 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -150:sc= -0.64 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -29:sc= 0.325 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -162:sc= -0.0494 (180deg=-0.449) USER MOD ----------------------------------------------------------------- ATOM 54 N PRO A 4 -4.478 8.032 -1.400 1.00 0.00 N ATOM 55 CA PRO A 4 -3.335 7.961 -0.429 1.00 0.00 C ATOM 56 C PRO A 4 -3.138 9.257 0.364 1.00 0.00 C ATOM 57 O PRO A 4 -2.583 9.245 1.461 1.00 0.00 O ATOM 58 CB PRO A 4 -2.121 7.688 -1.335 1.00 0.00 C ATOM 59 CG PRO A 4 -2.692 7.012 -2.534 1.00 0.00 C ATOM 60 CD PRO A 4 -4.048 7.670 -2.761 1.00 0.00 C ATOM 0 HA PRO A 4 -3.501 7.200 0.334 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -1.612 8.613 -1.606 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -1.387 7.056 -0.835 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -2.044 7.137 -3.402 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -2.798 5.940 -2.368 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -3.968 8.546 -3.404 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.752 6.988 -3.238 1.00 0.00 H new ATOM 68 N LYS A 5 -3.598 10.367 -0.200 1.00 0.00 N ATOM 69 CA LYS A 5 -3.474 11.667 0.456 1.00 0.00 C ATOM 70 C LYS A 5 -4.507 11.869 1.573 1.00 0.00 C ATOM 71 O LYS A 5 -4.172 12.205 2.707 1.00 0.00 O ATOM 72 CB LYS A 5 -3.665 12.767 -0.596 1.00 0.00 C ATOM 73 CG LYS A 5 -3.478 14.148 0.045 1.00 0.00 C ATOM 74 CD LYS A 5 -3.598 15.228 -1.031 1.00 0.00 C ATOM 75 CE LYS A 5 -3.381 16.604 -0.397 1.00 0.00 C ATOM 76 NZ LYS A 5 -4.464 16.872 0.590 1.00 0.00 N ATOM 0 H LYS A 5 -4.060 10.395 -1.109 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.485 11.713 0.912 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.949 12.634 -1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.660 12.693 -1.034 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.228 14.306 0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.503 14.208 0.529 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.862 15.057 -1.817 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.581 15.182 -1.500 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.409 16.641 0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.378 17.375 -1.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.527 17.895 0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.371 16.530 0.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.252 16.378 1.481 1.00 0.00 H new ATOM 90 N THR A 6 -5.762 11.603 1.213 1.00 0.00 N ATOM 91 CA THR A 6 -6.912 11.678 2.126 1.00 0.00 C ATOM 92 C THR A 6 -7.021 10.417 2.998 1.00 0.00 C ATOM 93 O THR A 6 -7.459 10.453 4.143 1.00 0.00 O ATOM 94 CB THR A 6 -8.202 11.836 1.319 1.00 0.00 C ATOM 95 OG1 THR A 6 -8.121 13.008 0.520 1.00 0.00 O ATOM 96 CG2 THR A 6 -9.391 11.950 2.274 1.00 0.00 C ATOM 0 H THR A 6 -6.017 11.325 0.265 1.00 0.00 H new ATOM 0 HA THR A 6 -6.764 12.539 2.778 1.00 0.00 H new ATOM 0 HB THR A 6 -8.336 10.967 0.675 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.947 13.108 0.002 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.310 12.063 1.699 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.454 11.050 2.886 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.258 12.819 2.919 1.00 0.00 H new ATOM 104 N LEU A 7 -6.588 9.324 2.400 1.00 0.00 N ATOM 105 CA LEU A 7 -6.596 8.020 3.076 1.00 0.00 C ATOM 106 C LEU A 7 -5.636 8.002 4.281 1.00 0.00 C ATOM 107 O LEU A 7 -6.010 7.604 5.384 1.00 0.00 O ATOM 108 CB LEU A 7 -6.219 6.905 2.091 1.00 0.00 C ATOM 109 CG LEU A 7 -6.214 5.537 2.794 1.00 0.00 C ATOM 110 CD1 LEU A 7 -7.607 5.229 3.369 1.00 0.00 C ATOM 111 CD2 LEU A 7 -5.833 4.457 1.775 1.00 0.00 C ATOM 0 H LEU A 7 -6.224 9.302 1.447 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.607 7.847 3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.927 6.891 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.235 7.105 1.667 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.493 5.554 3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.590 4.258 3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.881 5.999 4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.338 5.211 2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.826 3.482 2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.559 4.451 0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.842 4.669 1.374 1.00 0.00 H new ATOM 123 N LEU A 8 -4.404 8.448 4.048 1.00 0.00 N ATOM 124 CA LEU A 8 -3.327 8.535 5.049 1.00 0.00 C ATOM 125 C LEU A 8 -3.468 9.735 5.999 1.00 0.00 C ATOM 126 O LEU A 8 -2.960 9.741 7.119 1.00 0.00 O ATOM 127 CB LEU A 8 -1.980 8.631 4.317 1.00 0.00 C ATOM 128 CG LEU A 8 -0.810 8.583 5.315 1.00 0.00 C ATOM 129 CD1 LEU A 8 -0.804 7.238 6.067 1.00 0.00 C ATOM 130 CD2 LEU A 8 0.503 8.749 4.542 1.00 0.00 C ATOM 0 H LEU A 8 -4.111 8.772 3.126 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.389 7.638 5.665 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.889 7.811 3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.938 9.558 3.745 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.920 9.386 6.043 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.029 7.218 6.770 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.741 7.121 6.611 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.696 6.422 5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.341 8.717 5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.603 7.942 3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.500 9.707 4.021 1.00 0.00 H new ATOM 142 N ARG A 9 -4.181 10.732 5.505 1.00 0.00 N ATOM 143 CA ARG A 9 -4.432 11.962 6.264 1.00 0.00 C ATOM 144 C ARG A 9 -5.346 11.717 7.472 1.00 0.00 C ATOM 145 O ARG A 9 -5.226 12.393 8.491 1.00 0.00 O ATOM 146 CB ARG A 9 -5.057 13.033 5.347 1.00 0.00 C ATOM 147 CG ARG A 9 -3.966 13.964 4.770 1.00 0.00 C ATOM 148 CD ARG A 9 -3.672 15.079 5.783 1.00 0.00 C ATOM 149 NE ARG A 9 -2.413 15.753 5.485 1.00 0.00 N ATOM 150 CZ ARG A 9 -1.945 16.685 6.309 1.00 0.00 C ATOM 151 NH1 ARG A 9 -2.625 17.016 7.372 1.00 0.00 N ATOM 152 NH2 ARG A 9 -0.807 17.270 6.054 1.00 0.00 N ATOM 0 H ARG A 9 -4.602 10.721 4.576 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.471 12.314 6.640 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.598 12.551 4.533 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.783 13.620 5.909 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.059 13.397 4.561 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.299 14.393 3.825 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.485 15.804 5.774 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.632 14.658 6.788 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.891 15.509 4.643 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.515 16.560 7.570 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.266 17.731 8.005 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.276 17.012 5.222 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.448 17.985 6.687 1.00 0.00 H new ATOM 166 N VAL A 10 -6.245 10.744 7.358 1.00 0.00 N ATOM 167 CA VAL A 10 -7.164 10.414 8.447 1.00 0.00 C ATOM 168 C VAL A 10 -6.446 9.832 9.664 1.00 0.00 C ATOM 169 O VAL A 10 -6.804 10.170 10.793 1.00 0.00 O ATOM 170 CB VAL A 10 -8.248 9.443 7.955 1.00 0.00 C ATOM 171 CG1 VAL A 10 -9.071 8.925 9.141 1.00 0.00 C ATOM 172 CG2 VAL A 10 -9.178 10.180 6.990 1.00 0.00 C ATOM 0 H VAL A 10 -6.358 10.169 6.523 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.629 11.347 8.765 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.772 8.601 7.453 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.836 8.238 8.780 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.415 8.404 9.839 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.547 9.764 9.648 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.950 9.497 6.636 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.644 11.020 7.504 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.603 10.549 6.141 1.00 0.00 H new ATOM 182 N SER A 11 -5.447 8.978 9.485 1.00 0.00 N ATOM 183 CA SER A 11 -4.765 8.436 10.654 1.00 0.00 C ATOM 184 C SER A 11 -4.076 9.545 11.444 1.00 0.00 C ATOM 185 O SER A 11 -4.274 9.648 12.624 1.00 0.00 O ATOM 186 CB SER A 11 -3.739 7.387 10.223 1.00 0.00 C ATOM 187 OG SER A 11 -3.070 6.885 11.372 1.00 0.00 O ATOM 0 H SER A 11 -5.101 8.655 8.581 1.00 0.00 H new ATOM 0 HA SER A 11 -5.509 7.967 11.298 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.234 6.574 9.692 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.020 7.827 9.532 1.00 0.00 H new ATOM 0 HG SER A 11 -3.357 7.387 12.163 1.00 0.00 H new ATOM 193 N ILE A 12 -3.265 10.357 10.808 1.00 0.00 N ATOM 194 CA ILE A 12 -2.552 11.410 11.551 1.00 0.00 C ATOM 195 C ILE A 12 -3.548 12.295 12.323 1.00 0.00 C ATOM 196 O ILE A 12 -3.393 12.590 13.504 1.00 0.00 O ATOM 197 CB ILE A 12 -1.782 12.285 10.554 1.00 0.00 C ATOM 198 CG1 ILE A 12 -0.721 11.444 9.816 1.00 0.00 C ATOM 199 CG2 ILE A 12 -1.110 13.448 11.290 1.00 0.00 C ATOM 200 CD1 ILE A 12 0.269 10.796 10.801 1.00 0.00 C ATOM 0 H ILE A 12 -3.075 10.325 9.806 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.869 10.943 12.260 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.483 12.685 9.822 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.213 10.668 9.230 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.177 12.077 9.115 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.565 14.065 10.575 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.870 14.052 11.786 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.416 13.056 12.034 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.003 10.211 10.247 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.779 11.574 11.369 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.273 10.144 11.486 1.00 0.00 H new ATOM 212 N ILE A 13 -4.567 12.663 11.592 1.00 0.00 N ATOM 213 CA ILE A 13 -5.655 13.490 12.130 1.00 0.00 C ATOM 214 C ILE A 13 -6.340 12.792 13.340 1.00 0.00 C ATOM 215 O ILE A 13 -6.576 13.419 14.373 1.00 0.00 O ATOM 216 CB ILE A 13 -6.692 13.802 11.043 1.00 0.00 C ATOM 217 CG1 ILE A 13 -6.085 14.755 10.010 1.00 0.00 C ATOM 218 CG2 ILE A 13 -7.924 14.462 11.671 1.00 0.00 C ATOM 219 CD1 ILE A 13 -6.999 14.826 8.784 1.00 0.00 C ATOM 0 H ILE A 13 -4.681 12.408 10.611 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.220 14.428 12.475 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.986 12.871 10.557 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.962 15.748 10.443 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.093 14.409 9.718 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.656 14.681 10.893 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -8.365 13.787 12.404 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.629 15.389 12.163 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.568 15.504 8.048 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.100 13.832 8.347 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.981 15.192 9.083 1.00 0.00 H new ATOM 231 N GLY A 14 -6.576 11.491 13.222 1.00 0.00 N ATOM 232 CA GLY A 14 -7.146 10.707 14.349 1.00 0.00 C ATOM 233 C GLY A 14 -6.030 10.276 15.337 1.00 0.00 C ATOM 234 O GLY A 14 -6.127 10.415 16.556 1.00 0.00 O ATOM 0 H GLY A 14 -6.391 10.949 12.378 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.892 11.304 14.873 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.657 9.825 13.963 1.00 0.00 H new ATOM 238 N THR A 15 -5.016 9.707 14.719 1.00 0.00 N ATOM 239 CA THR A 15 -3.829 9.145 15.396 1.00 0.00 C ATOM 240 C THR A 15 -3.098 10.172 16.260 1.00 0.00 C ATOM 241 O THR A 15 -2.467 9.803 17.250 1.00 0.00 O ATOM 242 CB THR A 15 -2.831 8.535 14.405 1.00 0.00 C ATOM 243 OG1 THR A 15 -3.504 7.603 13.572 1.00 0.00 O ATOM 244 CG2 THR A 15 -1.728 7.813 15.181 1.00 0.00 C ATOM 0 H THR A 15 -4.978 9.612 13.704 1.00 0.00 H new ATOM 0 HA THR A 15 -4.220 8.360 16.043 1.00 0.00 H new ATOM 0 HB THR A 15 -2.395 9.324 13.793 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.391 7.951 13.342 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.016 7.377 14.480 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.213 8.524 15.827 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.168 7.023 15.789 1.00 0.00 H new ATOM 252 N THR A 16 -3.187 11.454 15.918 1.00 0.00 N ATOM 253 CA THR A 16 -2.533 12.496 16.709 1.00 0.00 C ATOM 254 C THR A 16 -3.319 12.816 17.976 1.00 0.00 C ATOM 255 O THR A 16 -2.750 13.244 18.981 1.00 0.00 O ATOM 256 CB THR A 16 -2.361 13.776 15.885 1.00 0.00 C ATOM 257 OG1 THR A 16 -1.599 14.713 16.634 1.00 0.00 O ATOM 258 CG2 THR A 16 -3.733 14.380 15.566 1.00 0.00 C ATOM 0 H THR A 16 -3.701 11.796 15.106 1.00 0.00 H new ATOM 0 HA THR A 16 -1.553 12.112 16.995 1.00 0.00 H new ATOM 0 HB THR A 16 -1.848 13.539 14.953 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.484 15.534 16.111 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.603 15.290 14.980 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.323 13.662 14.996 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.251 14.618 16.495 1.00 0.00 H new ATOM 266 N LEU A 17 -4.636 12.656 17.901 1.00 0.00 N ATOM 267 CA LEU A 17 -5.548 12.971 18.996 1.00 0.00 C ATOM 268 C LEU A 17 -5.538 11.984 20.162 1.00 0.00 C ATOM 269 O LEU A 17 -5.915 12.370 21.269 1.00 0.00 O ATOM 270 CB LEU A 17 -6.974 13.079 18.448 1.00 0.00 C ATOM 271 CG LEU A 17 -7.066 14.231 17.436 1.00 0.00 C ATOM 272 CD1 LEU A 17 -8.461 14.227 16.800 1.00 0.00 C ATOM 273 CD2 LEU A 17 -6.818 15.585 18.135 1.00 0.00 C ATOM 0 H LEU A 17 -5.106 12.300 17.069 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.191 13.915 19.407 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.260 12.142 17.971 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.674 13.247 19.266 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.305 14.094 16.667 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.535 15.042 16.080 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.626 13.277 16.291 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.215 14.359 17.576 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.887 16.390 17.403 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.567 15.736 18.912 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.825 15.586 18.584 1.00 0.00 H new ATOM 285 N VAL A 18 -5.172 10.721 19.968 1.00 0.00 N ATOM 286 CA VAL A 18 -5.235 9.813 21.108 1.00 0.00 C ATOM 287 C VAL A 18 -4.328 10.333 22.220 1.00 0.00 C ATOM 288 O VAL A 18 -4.731 10.460 23.376 1.00 0.00 O ATOM 289 CB VAL A 18 -4.785 8.412 20.679 1.00 0.00 C ATOM 290 CG1 VAL A 18 -4.640 7.510 21.910 1.00 0.00 C ATOM 291 CG2 VAL A 18 -5.829 7.815 19.733 1.00 0.00 C ATOM 0 H VAL A 18 -4.847 10.320 19.088 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.260 9.759 21.474 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.823 8.482 20.172 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.320 6.516 21.597 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.898 7.934 22.586 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.599 7.438 22.423 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.513 6.818 19.425 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.789 7.749 20.245 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.930 8.451 18.854 1.00 0.00 H new ATOM 301 N ALA A 19 -3.084 10.603 21.836 1.00 0.00 N ATOM 302 CA ALA A 19 -2.058 11.082 22.756 1.00 0.00 C ATOM 303 C ALA A 19 -2.455 12.389 23.438 1.00 0.00 C ATOM 304 O ALA A 19 -2.082 12.633 24.585 1.00 0.00 O ATOM 305 CB ALA A 19 -0.748 11.292 21.994 1.00 0.00 C ATOM 0 H ALA A 19 -2.758 10.495 20.875 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.936 10.326 23.531 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.019 11.650 22.681 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.428 10.348 21.553 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.900 12.028 21.205 1.00 0.00 H new ATOM 311 N LEU A 20 -3.218 13.218 22.739 1.00 0.00 N ATOM 312 CA LEU A 20 -3.656 14.484 23.317 1.00 0.00 C ATOM 313 C LEU A 20 -4.647 14.244 24.458 1.00 0.00 C ATOM 314 O LEU A 20 -4.521 14.843 25.527 1.00 0.00 O ATOM 315 CB LEU A 20 -4.276 15.378 22.234 1.00 0.00 C ATOM 316 CG LEU A 20 -4.744 16.713 22.835 1.00 0.00 C ATOM 317 CD1 LEU A 20 -3.553 17.465 23.454 1.00 0.00 C ATOM 318 CD2 LEU A 20 -5.369 17.564 21.722 1.00 0.00 C ATOM 0 H LEU A 20 -3.543 13.043 21.788 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.786 14.996 23.729 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.546 15.564 21.447 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.120 14.866 21.772 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.479 16.521 23.617 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.898 18.409 23.876 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.108 16.857 24.241 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.808 17.663 22.684 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.705 18.515 22.136 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.627 17.749 20.945 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.219 17.034 21.293 1.00 0.00 H new ATOM 330 N SER A 21 -5.630 13.374 24.240 1.00 0.00 N ATOM 331 CA SER A 21 -6.627 13.074 25.268 1.00 0.00 C ATOM 332 C SER A 21 -6.080 12.129 26.339 1.00 0.00 C ATOM 333 O SER A 21 -6.568 12.090 27.454 1.00 0.00 O ATOM 334 CB SER A 21 -7.860 12.447 24.617 1.00 0.00 C ATOM 335 OG SER A 21 -8.844 12.198 25.613 1.00 0.00 O ATOM 0 H SER A 21 -5.759 12.866 23.365 1.00 0.00 H new ATOM 0 HA SER A 21 -6.892 14.012 25.756 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.260 13.114 23.853 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.588 11.517 24.118 1.00 0.00 H new ATOM 0 HG SER A 21 -9.636 11.797 25.197 1.00 0.00 H new ATOM 341 N SER A 22 -5.101 11.333 25.948 1.00 0.00 N ATOM 342 CA SER A 22 -4.515 10.341 26.855 1.00 0.00 C ATOM 343 C SER A 22 -3.632 11.004 27.925 1.00 0.00 C ATOM 344 O SER A 22 -3.277 10.393 28.933 1.00 0.00 O ATOM 345 CB SER A 22 -3.651 9.368 26.057 1.00 0.00 C ATOM 346 OG SER A 22 -4.466 8.673 25.123 1.00 0.00 O ATOM 0 H SER A 22 -4.691 11.347 25.014 1.00 0.00 H new ATOM 0 HA SER A 22 -5.335 9.820 27.348 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.861 9.909 25.536 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.164 8.661 26.729 1.00 0.00 H new ATOM 0 HG SER A 22 -4.970 9.318 24.585 1.00 0.00 H new ATOM 352 N PHE A 23 -3.310 12.271 27.676 1.00 0.00 N ATOM 353 CA PHE A 23 -2.483 13.033 28.631 1.00 0.00 C ATOM 354 C PHE A 23 -3.304 13.586 29.827 1.00 0.00 C ATOM 355 O PHE A 23 -2.787 13.591 30.943 1.00 0.00 O ATOM 356 CB PHE A 23 -1.719 14.160 27.906 1.00 0.00 C ATOM 357 CG PHE A 23 -0.373 13.643 27.427 1.00 0.00 C ATOM 358 CD1 PHE A 23 -0.293 12.403 26.781 1.00 0.00 C ATOM 359 CD2 PHE A 23 0.787 14.397 27.642 1.00 0.00 C ATOM 360 CE1 PHE A 23 0.948 11.918 26.350 1.00 0.00 C ATOM 361 CE2 PHE A 23 2.027 13.912 27.211 1.00 0.00 C ATOM 362 CZ PHE A 23 2.108 12.672 26.565 1.00 0.00 C ATOM 0 H PHE A 23 -3.596 12.789 26.845 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.758 12.337 29.054 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.303 14.521 27.059 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.576 15.006 28.578 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.188 11.821 26.615 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.725 15.353 28.141 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.010 10.962 25.852 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.922 14.494 27.377 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.065 12.298 26.233 1.00 0.00 H new ATOM 372 N THR A 24 -4.528 14.097 29.638 1.00 0.00 N ATOM 373 CA THR A 24 -5.272 14.675 30.779 1.00 0.00 C ATOM 374 C THR A 24 -5.687 13.659 31.874 1.00 0.00 C ATOM 375 O THR A 24 -5.665 13.990 33.059 1.00 0.00 O ATOM 376 CB THR A 24 -6.498 15.463 30.273 1.00 0.00 C ATOM 377 OG1 THR A 24 -6.051 16.613 29.570 1.00 0.00 O ATOM 378 CG2 THR A 24 -7.362 15.906 31.459 1.00 0.00 C ATOM 0 H THR A 24 -5.015 14.126 28.742 1.00 0.00 H new ATOM 0 HA THR A 24 -4.570 15.347 31.272 1.00 0.00 H new ATOM 0 HB THR A 24 -7.089 14.826 29.616 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.825 17.118 29.244 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.225 16.462 31.093 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.702 15.029 32.009 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.774 16.543 32.120 1.00 0.00 H new ATOM 386 N PRO A 25 -6.098 12.468 31.512 1.00 0.00 N ATOM 387 CA PRO A 25 -6.571 11.419 32.476 1.00 0.00 C ATOM 388 C PRO A 25 -5.694 11.230 33.712 1.00 0.00 C ATOM 389 O PRO A 25 -6.186 10.758 34.736 1.00 0.00 O ATOM 390 CB PRO A 25 -6.585 10.147 31.629 1.00 0.00 C ATOM 391 CG PRO A 25 -6.901 10.630 30.260 1.00 0.00 C ATOM 392 CD PRO A 25 -6.187 11.977 30.132 1.00 0.00 C ATOM 0 HA PRO A 25 -7.535 11.701 32.900 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.622 9.636 31.660 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.333 9.439 31.985 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.552 9.926 29.504 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.976 10.740 30.120 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.199 11.864 29.685 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.746 12.666 29.499 1.00 0.00 H new ATOM 400 N VAL A 26 -4.421 11.606 33.662 1.00 0.00 N ATOM 401 CA VAL A 26 -3.584 11.457 34.845 1.00 0.00 C ATOM 402 C VAL A 26 -4.152 12.307 35.982 1.00 0.00 C ATOM 403 O VAL A 26 -4.224 11.857 37.122 1.00 0.00 O ATOM 404 CB VAL A 26 -2.148 11.890 34.530 1.00 0.00 C ATOM 405 CG1 VAL A 26 -1.324 11.940 35.819 1.00 0.00 C ATOM 406 CG2 VAL A 26 -1.517 10.885 33.564 1.00 0.00 C ATOM 0 H VAL A 26 -3.958 12.003 32.844 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.574 10.411 35.150 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.163 12.880 34.075 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.305 12.248 35.587 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.771 12.655 36.509 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.308 10.952 36.279 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.495 11.190 33.338 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.507 9.896 34.023 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.098 10.852 32.642 1.00 0.00 H new ATOM 416 N LEU A 27 -4.512 13.548 35.674 1.00 0.00 N ATOM 417 CA LEU A 27 -5.023 14.486 36.673 1.00 0.00 C ATOM 418 C LEU A 27 -6.127 13.872 37.537 1.00 0.00 C ATOM 419 O LEU A 27 -6.329 14.277 38.682 1.00 0.00 O ATOM 420 CB LEU A 27 -5.606 15.700 35.938 1.00 0.00 C ATOM 421 CG LEU A 27 -5.932 16.834 36.925 1.00 0.00 C ATOM 422 CD1 LEU A 27 -4.642 17.463 37.478 1.00 0.00 C ATOM 423 CD2 LEU A 27 -6.759 17.903 36.199 1.00 0.00 C ATOM 0 H LEU A 27 -4.459 13.933 34.731 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.197 14.762 37.329 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.895 16.055 35.192 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.509 15.407 35.403 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.499 16.426 37.762 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.896 18.263 38.174 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.060 16.702 37.997 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.055 17.871 36.655 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.995 18.712 36.890 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.186 18.299 35.360 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.684 17.459 35.830 1.00 0.00 H new ATOM 435 N VAL A 28 -6.844 12.906 36.978 1.00 0.00 N ATOM 436 CA VAL A 28 -7.940 12.236 37.676 1.00 0.00 C ATOM 437 C VAL A 28 -7.446 11.323 38.802 1.00 0.00 C ATOM 438 O VAL A 28 -8.111 11.171 39.828 1.00 0.00 O ATOM 439 CB VAL A 28 -8.748 11.409 36.668 1.00 0.00 C ATOM 440 CG1 VAL A 28 -9.815 10.589 37.399 1.00 0.00 C ATOM 441 CG2 VAL A 28 -9.426 12.350 35.669 1.00 0.00 C ATOM 0 H VAL A 28 -6.685 12.563 36.030 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.561 13.007 38.131 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.077 10.732 36.140 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.384 10.005 36.676 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.334 9.917 38.110 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.488 11.260 37.933 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.001 11.765 34.951 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.093 13.028 36.202 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.667 12.928 35.141 1.00 0.00 H new ATOM 451 N ILE A 29 -6.282 10.717 38.599 1.00 0.00 N ATOM 452 CA ILE A 29 -5.711 9.816 39.600 1.00 0.00 C ATOM 453 C ILE A 29 -5.479 10.533 40.931 1.00 0.00 C ATOM 454 O ILE A 29 -5.618 9.917 41.987 1.00 0.00 O ATOM 455 CB ILE A 29 -4.403 9.175 39.091 1.00 0.00 C ATOM 456 CG1 ILE A 29 -3.213 10.174 39.198 1.00 0.00 C ATOM 457 CG2 ILE A 29 -4.589 8.731 37.631 1.00 0.00 C ATOM 458 CD1 ILE A 29 -2.381 9.884 40.456 1.00 0.00 C ATOM 0 H ILE A 29 -5.717 10.830 37.758 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.436 9.020 39.771 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.172 8.309 39.712 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.583 10.095 38.312 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.590 11.196 39.231 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.667 8.278 37.268 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.398 8.003 37.572 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.834 9.597 37.016 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.553 10.591 40.516 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.010 9.986 41.340 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.988 8.869 40.406 1.00 0.00 H new ATOM 470 N LEU A 30 -5.137 11.817 40.910 1.00 0.00 N ATOM 471 CA LEU A 30 -4.916 12.525 42.168 1.00 0.00 C ATOM 472 C LEU A 30 -6.181 12.502 43.022 1.00 0.00 C ATOM 473 O LEU A 30 -6.110 12.184 44.207 1.00 0.00 O ATOM 474 CB LEU A 30 -4.496 13.973 41.904 1.00 0.00 C ATOM 475 CG LEU A 30 -3.077 14.014 41.314 1.00 0.00 C ATOM 476 CD1 LEU A 30 -2.764 15.445 40.868 1.00 0.00 C ATOM 477 CD2 LEU A 30 -2.041 13.559 42.364 1.00 0.00 C ATOM 0 H LEU A 30 -5.010 12.375 40.066 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.115 12.019 42.707 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.198 14.443 41.215 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.529 14.544 42.832 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.025 13.337 40.461 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.759 15.484 40.448 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.485 15.757 40.112 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.825 16.115 41.726 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.042 13.594 41.929 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.084 14.222 43.228 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.264 12.539 42.677 1.00 0.00 H new ATOM 489 N LEU A 31 -7.332 12.861 42.466 1.00 0.00 N ATOM 490 CA LEU A 31 -8.545 12.879 43.275 1.00 0.00 C ATOM 491 C LEU A 31 -8.762 11.507 43.914 1.00 0.00 C ATOM 492 O LEU A 31 -9.126 11.386 45.083 1.00 0.00 O ATOM 493 CB LEU A 31 -9.750 13.205 42.376 1.00 0.00 C ATOM 494 CG LEU A 31 -9.810 14.712 42.099 1.00 0.00 C ATOM 495 CD1 LEU A 31 -8.529 15.159 41.390 1.00 0.00 C ATOM 496 CD2 LEU A 31 -11.018 15.015 41.209 1.00 0.00 C ATOM 0 H LEU A 31 -7.451 13.135 41.491 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.444 13.634 44.055 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.671 12.658 41.437 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.672 12.879 42.858 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.905 15.250 43.042 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.576 16.230 41.195 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.668 14.943 42.023 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.429 14.623 40.446 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.064 16.086 41.010 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.921 14.475 40.267 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.931 14.701 41.715 1.00 0.00 H new ATOM 508 N GLY A 32 -8.493 10.482 43.112 1.00 0.00 N ATOM 509 CA GLY A 32 -8.612 9.102 43.570 1.00 0.00 C ATOM 510 C GLY A 32 -7.620 8.839 44.701 1.00 0.00 C ATOM 511 O GLY A 32 -7.967 8.272 45.732 1.00 0.00 O ATOM 0 H GLY A 32 -8.191 10.580 42.143 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.628 8.911 43.915 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.422 8.418 42.743 1.00 0.00 H new ATOM 515 N VAL A 33 -6.396 9.323 44.506 1.00 0.00 N ATOM 516 CA VAL A 33 -5.384 9.186 45.557 1.00 0.00 C ATOM 517 C VAL A 33 -5.972 9.818 46.822 1.00 0.00 C ATOM 518 O VAL A 33 -5.959 9.214 47.894 1.00 0.00 O ATOM 519 CB VAL A 33 -4.072 9.879 45.165 1.00 0.00 C ATOM 520 CG1 VAL A 33 -3.151 9.964 46.388 1.00 0.00 C ATOM 521 CG2 VAL A 33 -3.371 9.070 44.069 1.00 0.00 C ATOM 0 H VAL A 33 -6.084 9.799 43.660 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.143 8.135 45.718 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.293 10.882 44.799 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.220 10.456 46.109 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.642 10.537 47.174 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.935 8.959 46.752 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.440 9.564 43.792 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.155 8.068 44.439 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.020 9.002 43.196 1.00 0.00 H new ATOM 531 N VAL A 34 -6.476 11.041 46.684 1.00 0.00 N ATOM 532 CA VAL A 34 -7.056 11.745 47.827 1.00 0.00 C ATOM 533 C VAL A 34 -8.211 10.915 48.389 1.00 0.00 C ATOM 534 O VAL A 34 -8.381 10.763 49.598 1.00 0.00 O ATOM 535 CB VAL A 34 -7.570 13.121 47.387 1.00 0.00 C ATOM 536 CG1 VAL A 34 -8.367 13.763 48.527 1.00 0.00 C ATOM 537 CG2 VAL A 34 -6.384 14.019 47.030 1.00 0.00 C ATOM 0 H VAL A 34 -6.496 11.560 45.806 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.296 11.884 48.595 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.214 13.002 46.516 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.731 14.741 48.211 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.214 13.126 48.783 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.724 13.880 49.400 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.749 14.997 46.717 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.739 14.134 47.901 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.817 13.566 46.217 1.00 0.00 H new ATOM 547 N GLY A 35 -8.992 10.382 47.463 1.00 0.00 N ATOM 548 CA GLY A 35 -10.135 9.550 47.822 1.00 0.00 C ATOM 549 C GLY A 35 -9.649 8.346 48.630 1.00 0.00 C ATOM 550 O GLY A 35 -10.203 8.012 49.677 1.00 0.00 O ATOM 0 H GLY A 35 -8.858 10.509 46.460 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.852 10.128 48.405 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.652 9.215 46.923 1.00 0.00 H new ATOM 554 N LEU A 36 -8.587 7.726 48.133 1.00 0.00 N ATOM 555 CA LEU A 36 -7.971 6.574 48.787 1.00 0.00 C ATOM 556 C LEU A 36 -7.262 7.006 50.071 1.00 0.00 C ATOM 557 O LEU A 36 -7.213 6.268 51.056 1.00 0.00 O ATOM 558 CB LEU A 36 -6.948 5.928 47.848 1.00 0.00 C ATOM 559 CG LEU A 36 -7.660 5.278 46.652 1.00 0.00 C ATOM 560 CD1 LEU A 36 -6.610 4.846 45.622 1.00 0.00 C ATOM 561 CD2 LEU A 36 -8.478 4.048 47.107 1.00 0.00 C ATOM 0 H LEU A 36 -8.127 8.005 47.266 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.755 5.857 49.031 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.242 6.680 47.495 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.371 5.178 48.388 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.344 6.001 46.209 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.106 4.383 44.769 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.049 5.718 45.286 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.927 4.129 46.077 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.974 3.602 46.245 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.811 3.315 47.561 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.226 4.358 47.836 1.00 0.00 H new ATOM 573 N SER A 37 -6.757 8.237 50.049 1.00 0.00 N ATOM 574 CA SER A 37 -6.096 8.802 51.225 1.00 0.00 C ATOM 575 C SER A 37 -7.110 8.864 52.363 1.00 0.00 C ATOM 576 O SER A 37 -6.804 8.563 53.489 1.00 0.00 O ATOM 577 CB SER A 37 -5.532 10.195 50.938 1.00 0.00 C ATOM 578 OG SER A 37 -4.882 10.681 52.104 1.00 0.00 O ATOM 0 H SER A 37 -6.791 8.857 49.240 1.00 0.00 H new ATOM 0 HA SER A 37 -5.255 8.167 51.501 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.830 10.152 50.106 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.334 10.872 50.644 1.00 0.00 H new ATOM 0 HG SER A 37 -4.942 11.659 52.128 1.00 0.00 H new ATOM 584 N ALA A 38 -8.324 9.234 52.035 1.00 0.00 N ATOM 585 CA ALA A 38 -9.387 9.304 53.042 1.00 0.00 C ATOM 586 C ALA A 38 -9.586 7.928 53.699 1.00 0.00 C ATOM 587 O ALA A 38 -9.843 7.841 54.900 1.00 0.00 O ATOM 588 CB ALA A 38 -10.694 9.780 52.408 1.00 0.00 C ATOM 0 H ALA A 38 -8.612 9.492 51.091 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.092 10.021 53.808 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.472 9.826 53.170 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.549 10.770 51.976 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.994 9.083 51.625 1.00 0.00 H new ATOM 594 N LEU A 39 -9.455 6.870 52.920 1.00 0.00 N ATOM 595 CA LEU A 39 -9.614 5.522 53.484 1.00 0.00 C ATOM 596 C LEU A 39 -8.373 5.097 54.305 1.00 0.00 C ATOM 597 O LEU A 39 -8.493 4.650 55.447 1.00 0.00 O ATOM 598 CB LEU A 39 -9.846 4.512 52.356 1.00 0.00 C ATOM 599 CG LEU A 39 -11.106 4.886 51.562 1.00 0.00 C ATOM 600 CD1 LEU A 39 -11.271 3.910 50.393 1.00 0.00 C ATOM 601 CD2 LEU A 39 -12.348 4.819 52.472 1.00 0.00 C ATOM 0 H LEU A 39 -9.245 6.903 51.922 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.475 5.541 54.153 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.982 4.492 51.692 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.953 3.510 52.771 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.004 5.903 51.183 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.164 4.170 49.825 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.398 3.969 49.743 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.369 2.895 50.778 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -13.235 5.086 51.897 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.459 3.807 52.862 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.229 5.516 53.301 1.00 0.00 H new ATOM 613 N THR A 40 -7.198 5.218 53.693 1.00 0.00 N ATOM 614 CA THR A 40 -5.925 4.820 54.340 1.00 0.00 C ATOM 615 C THR A 40 -5.212 6.012 55.002 1.00 0.00 C ATOM 616 O THR A 40 -4.156 5.862 55.615 1.00 0.00 O ATOM 617 CB THR A 40 -4.999 4.201 53.280 1.00 0.00 C ATOM 618 OG1 THR A 40 -5.773 3.405 52.393 1.00 0.00 O ATOM 619 CG2 THR A 40 -3.938 3.322 53.950 1.00 0.00 C ATOM 0 H THR A 40 -7.088 5.588 52.749 1.00 0.00 H new ATOM 0 HA THR A 40 -6.158 4.099 55.123 1.00 0.00 H new ATOM 0 HB THR A 40 -4.502 5.001 52.731 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.188 3.009 51.714 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.289 2.890 53.188 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.342 3.928 54.633 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.427 2.522 54.506 1.00 0.00 H new ATOM 627 N GLY A 41 -5.859 7.160 54.953 1.00 0.00 N ATOM 628 CA GLY A 41 -5.343 8.351 55.641 1.00 0.00 C ATOM 629 C GLY A 41 -3.928 8.747 55.234 1.00 0.00 C ATOM 630 O GLY A 41 -3.001 8.628 56.037 1.00 0.00 O ATOM 0 H GLY A 41 -6.736 7.304 54.452 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.013 9.188 55.445 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.363 8.172 56.716 1.00 0.00 H new ATOM 634 N TYR A 42 -3.744 9.236 54.008 1.00 0.00 N ATOM 635 CA TYR A 42 -2.426 9.665 53.538 1.00 0.00 C ATOM 636 C TYR A 42 -2.412 11.192 53.400 1.00 0.00 C ATOM 637 O TYR A 42 -1.587 11.754 52.680 1.00 0.00 O ATOM 638 CB TYR A 42 -2.140 9.000 52.162 1.00 0.00 C ATOM 639 CG TYR A 42 -0.963 8.040 52.258 1.00 0.00 C ATOM 640 CD1 TYR A 42 -0.972 7.012 53.208 1.00 0.00 C ATOM 641 CD2 TYR A 42 0.132 8.190 51.399 1.00 0.00 C ATOM 642 CE1 TYR A 42 0.114 6.133 53.298 1.00 0.00 C ATOM 643 CE2 TYR A 42 1.218 7.311 51.488 1.00 0.00 C ATOM 644 CZ TYR A 42 1.210 6.283 52.438 1.00 0.00 C ATOM 645 OH TYR A 42 2.280 5.417 52.526 1.00 0.00 O ATOM 0 H TYR A 42 -4.491 9.345 53.322 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.656 9.366 54.249 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -3.026 8.463 51.822 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.928 9.769 51.419 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.816 6.897 53.871 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.139 8.984 50.667 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.107 5.339 54.030 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.062 7.426 50.824 1.00 0.00 H new ATOM 0 HH TYR A 42 2.954 5.660 51.857 1.00 0.00 H new ATOM 655 N LEU A 43 -3.344 11.848 54.086 1.00 0.00 N ATOM 656 CA LEU A 43 -3.473 13.302 54.046 1.00 0.00 C ATOM 657 C LEU A 43 -2.128 14.007 54.201 1.00 0.00 C ATOM 658 O LEU A 43 -1.692 14.756 53.327 1.00 0.00 O ATOM 659 CB LEU A 43 -4.305 13.680 55.286 1.00 0.00 C ATOM 660 CG LEU A 43 -4.509 15.205 55.381 1.00 0.00 C ATOM 661 CD1 LEU A 43 -5.250 15.729 54.139 1.00 0.00 C ATOM 662 CD2 LEU A 43 -5.335 15.514 56.637 1.00 0.00 C ATOM 0 H LEU A 43 -4.030 11.388 54.684 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.911 13.597 53.092 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.274 13.184 55.241 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.804 13.321 56.185 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.537 15.695 55.436 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.385 16.807 54.224 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.666 15.505 53.246 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.224 15.246 54.066 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.487 16.590 56.717 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.302 15.015 56.569 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.804 15.156 57.519 1.00 0.00 H new ATOM 674 N ASP A 44 -1.482 13.737 55.329 1.00 0.00 N ATOM 675 CA ASP A 44 -0.178 14.325 55.616 1.00 0.00 C ATOM 676 C ASP A 44 0.854 13.819 54.614 1.00 0.00 C ATOM 677 O ASP A 44 1.707 14.579 54.155 1.00 0.00 O ATOM 678 CB ASP A 44 0.262 14.008 57.047 1.00 0.00 C ATOM 679 CG ASP A 44 1.592 14.687 57.354 1.00 0.00 C ATOM 680 OD1 ASP A 44 1.597 15.895 57.530 1.00 0.00 O ATOM 681 OD2 ASP A 44 2.586 13.983 57.427 1.00 0.00 O ATOM 0 H ASP A 44 -1.837 13.118 56.057 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.259 15.408 55.523 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.498 14.346 57.752 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.358 12.930 57.175 1.00 0.00 H new ATOM 686 N TYR A 45 0.789 12.535 54.290 1.00 0.00 N ATOM 687 CA TYR A 45 1.747 11.957 53.356 1.00 0.00 C ATOM 688 C TYR A 45 1.705 12.666 52.001 1.00 0.00 C ATOM 689 O TYR A 45 2.761 12.922 51.430 1.00 0.00 O ATOM 690 CB TYR A 45 1.456 10.460 53.160 1.00 0.00 C ATOM 691 CG TYR A 45 2.003 9.659 54.322 1.00 0.00 C ATOM 692 CD1 TYR A 45 1.221 9.442 55.462 1.00 0.00 C ATOM 693 CD2 TYR A 45 3.292 9.118 54.243 1.00 0.00 C ATOM 694 CE1 TYR A 45 1.728 8.683 56.525 1.00 0.00 C ATOM 695 CE2 TYR A 45 3.799 8.360 55.305 1.00 0.00 C ATOM 696 CZ TYR A 45 3.017 8.143 56.445 1.00 0.00 C ATOM 697 OH TYR A 45 3.517 7.395 57.493 1.00 0.00 O ATOM 0 H TYR A 45 0.095 11.882 54.653 1.00 0.00 H new ATOM 0 HA TYR A 45 2.743 12.086 53.780 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.381 10.300 53.074 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.905 10.115 52.229 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.227 9.860 55.522 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.895 9.286 53.363 1.00 0.00 H new ATOM 0 HE1 TYR A 45 1.125 8.515 57.405 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.793 7.943 55.245 1.00 0.00 H new ATOM 0 HH TYR A 45 4.424 7.094 57.276 1.00 0.00 H new ATOM 707 N VAL A 46 0.495 12.949 51.488 1.00 0.00 N ATOM 708 CA VAL A 46 0.297 13.599 50.173 1.00 0.00 C ATOM 709 C VAL A 46 1.573 14.177 49.553 1.00 0.00 C ATOM 710 O VAL A 46 1.840 13.953 48.373 1.00 0.00 O ATOM 711 CB VAL A 46 -0.744 14.712 50.314 1.00 0.00 C ATOM 712 CG1 VAL A 46 -0.194 15.831 51.206 1.00 0.00 C ATOM 713 CG2 VAL A 46 -1.079 15.277 48.931 1.00 0.00 C ATOM 0 H VAL A 46 -0.377 12.735 51.972 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.041 12.815 49.495 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.646 14.303 50.769 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.940 16.620 51.302 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.038 15.429 52.192 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.712 16.241 50.759 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.820 16.070 49.032 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.175 15.681 48.474 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.480 14.483 48.301 1.00 0.00 H new ATOM 723 N LEU A 47 2.342 14.931 50.317 1.00 0.00 N ATOM 724 CA LEU A 47 3.555 15.538 49.780 1.00 0.00 C ATOM 725 C LEU A 47 4.488 14.487 49.153 1.00 0.00 C ATOM 726 O LEU A 47 4.984 14.672 48.045 1.00 0.00 O ATOM 727 CB LEU A 47 4.293 16.241 50.929 1.00 0.00 C ATOM 728 CG LEU A 47 5.600 16.881 50.430 1.00 0.00 C ATOM 729 CD1 LEU A 47 5.299 17.913 49.332 1.00 0.00 C ATOM 730 CD2 LEU A 47 6.286 17.578 51.611 1.00 0.00 C ATOM 0 H LEU A 47 2.156 15.138 51.298 1.00 0.00 H new ATOM 0 HA LEU A 47 3.274 16.245 48.999 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.651 17.007 51.364 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.513 15.523 51.719 1.00 0.00 H new ATOM 0 HG LEU A 47 6.250 16.109 50.017 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.232 18.359 48.987 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.801 17.421 48.497 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.651 18.692 49.733 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.215 18.037 51.273 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.626 18.347 52.013 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.505 16.846 52.388 1.00 0.00 H new ATOM 742 N LEU A 48 4.733 13.404 49.892 1.00 0.00 N ATOM 743 CA LEU A 48 5.635 12.340 49.418 1.00 0.00 C ATOM 744 C LEU A 48 5.140 11.669 48.110 1.00 0.00 C ATOM 745 O LEU A 48 5.862 11.704 47.115 1.00 0.00 O ATOM 746 CB LEU A 48 5.901 11.307 50.539 1.00 0.00 C ATOM 747 CG LEU A 48 7.174 11.671 51.312 1.00 0.00 C ATOM 748 CD1 LEU A 48 7.001 13.040 51.972 1.00 0.00 C ATOM 749 CD2 LEU A 48 7.436 10.617 52.390 1.00 0.00 C ATOM 0 H LEU A 48 4.327 13.236 50.812 1.00 0.00 H new ATOM 0 HA LEU A 48 6.584 12.812 49.164 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.051 11.274 51.221 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.002 10.311 50.108 1.00 0.00 H new ATOM 0 HG LEU A 48 8.017 11.705 50.622 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.907 13.296 52.521 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.816 13.793 51.206 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.157 13.008 52.661 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.341 10.876 52.940 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.591 10.582 53.078 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.563 9.641 51.921 1.00 0.00 H new ATOM 761 N PRO A 49 3.957 11.098 48.048 1.00 0.00 N ATOM 762 CA PRO A 49 3.447 10.476 46.782 1.00 0.00 C ATOM 763 C PRO A 49 3.623 11.395 45.569 1.00 0.00 C ATOM 764 O PRO A 49 3.730 10.927 44.435 1.00 0.00 O ATOM 765 CB PRO A 49 1.962 10.245 47.074 1.00 0.00 C ATOM 766 CG PRO A 49 1.902 10.035 48.546 1.00 0.00 C ATOM 767 CD PRO A 49 2.983 10.942 49.142 1.00 0.00 C ATOM 0 HA PRO A 49 3.990 9.566 46.526 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.360 11.101 46.770 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.581 9.379 46.533 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.917 10.291 48.938 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.084 8.991 48.800 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.572 11.903 49.451 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.441 10.492 50.023 1.00 0.00 H new ATOM 775 N ALA A 50 3.686 12.699 45.820 1.00 0.00 N ATOM 776 CA ALA A 50 3.892 13.686 44.762 1.00 0.00 C ATOM 777 C ALA A 50 5.286 13.547 44.152 1.00 0.00 C ATOM 778 O ALA A 50 5.476 13.823 42.967 1.00 0.00 O ATOM 779 CB ALA A 50 3.708 15.101 45.317 1.00 0.00 C ATOM 0 H ALA A 50 3.597 13.100 46.754 1.00 0.00 H new ATOM 0 HA ALA A 50 3.152 13.507 43.982 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.864 15.828 44.520 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.698 15.208 45.713 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.431 15.276 46.114 1.00 0.00 H new ATOM 785 N LEU A 51 6.252 13.104 44.947 1.00 0.00 N ATOM 786 CA LEU A 51 7.607 12.922 44.436 1.00 0.00 C ATOM 787 C LEU A 51 7.616 11.823 43.375 1.00 0.00 C ATOM 788 O LEU A 51 8.267 11.940 42.340 1.00 0.00 O ATOM 789 CB LEU A 51 8.557 12.537 45.582 1.00 0.00 C ATOM 790 CG LEU A 51 8.972 13.789 46.364 1.00 0.00 C ATOM 791 CD1 LEU A 51 7.727 14.580 46.774 1.00 0.00 C ATOM 792 CD2 LEU A 51 9.748 13.370 47.616 1.00 0.00 C ATOM 0 H LEU A 51 6.128 12.867 45.931 1.00 0.00 H new ATOM 0 HA LEU A 51 7.945 13.858 43.992 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.067 11.828 46.249 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.440 12.039 45.181 1.00 0.00 H new ATOM 0 HG LEU A 51 9.603 14.416 45.735 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.027 15.469 47.329 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.176 14.878 45.882 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.091 13.957 47.403 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.045 14.258 48.174 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.115 12.742 48.243 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.637 12.812 47.323 1.00 0.00 H new ATOM 804 N ALA A 52 6.859 10.769 43.649 1.00 0.00 N ATOM 805 CA ALA A 52 6.754 9.656 42.713 1.00 0.00 C ATOM 806 C ALA A 52 6.178 10.150 41.389 1.00 0.00 C ATOM 807 O ALA A 52 6.674 9.799 40.319 1.00 0.00 O ATOM 808 CB ALA A 52 5.869 8.552 43.292 1.00 0.00 C ATOM 0 H ALA A 52 6.313 10.661 44.504 1.00 0.00 H new ATOM 0 HA ALA A 52 7.749 9.245 42.541 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.801 7.729 42.580 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.302 8.191 44.225 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.872 8.948 43.484 1.00 0.00 H new ATOM 814 N ILE A 53 5.140 10.977 41.464 1.00 0.00 N ATOM 815 CA ILE A 53 4.531 11.520 40.252 1.00 0.00 C ATOM 816 C ILE A 53 5.528 12.387 39.484 1.00 0.00 C ATOM 817 O ILE A 53 5.716 12.182 38.287 1.00 0.00 O ATOM 818 CB ILE A 53 3.288 12.342 40.615 1.00 0.00 C ATOM 819 CG1 ILE A 53 2.203 11.407 41.157 1.00 0.00 C ATOM 820 CG2 ILE A 53 2.760 13.060 39.370 1.00 0.00 C ATOM 821 CD1 ILE A 53 1.078 12.236 41.778 1.00 0.00 C ATOM 0 H ILE A 53 4.708 11.283 42.336 1.00 0.00 H new ATOM 0 HA ILE A 53 4.237 10.689 39.611 1.00 0.00 H new ATOM 0 HB ILE A 53 3.552 13.080 41.373 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.809 10.785 40.353 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.627 10.734 41.902 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.877 13.643 39.633 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.530 13.725 38.979 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.496 12.324 38.610 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.306 11.570 42.164 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.478 12.839 42.593 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.647 12.890 41.020 1.00 0.00 H new ATOM 833 N PHE A 54 6.173 13.346 40.141 1.00 0.00 N ATOM 834 CA PHE A 54 7.135 14.200 39.447 1.00 0.00 C ATOM 835 C PHE A 54 8.252 13.361 38.836 1.00 0.00 C ATOM 836 O PHE A 54 8.663 13.597 37.702 1.00 0.00 O ATOM 837 CB PHE A 54 7.721 15.222 40.422 1.00 0.00 C ATOM 838 CG PHE A 54 8.664 16.150 39.690 1.00 0.00 C ATOM 839 CD1 PHE A 54 8.149 17.201 38.922 1.00 0.00 C ATOM 840 CD2 PHE A 54 10.048 15.965 39.786 1.00 0.00 C ATOM 841 CE1 PHE A 54 9.019 18.068 38.250 1.00 0.00 C ATOM 842 CE2 PHE A 54 10.918 16.833 39.114 1.00 0.00 C ATOM 843 CZ PHE A 54 10.403 17.884 38.346 1.00 0.00 C ATOM 0 H PHE A 54 6.052 13.550 41.133 1.00 0.00 H new ATOM 0 HA PHE A 54 6.619 14.726 38.644 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.919 15.796 40.886 1.00 0.00 H new ATOM 0 HB3 PHE A 54 8.251 14.709 41.224 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.081 17.343 38.848 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.445 15.153 40.378 1.00 0.00 H new ATOM 0 HE1 PHE A 54 8.622 18.879 37.657 1.00 0.00 H new ATOM 0 HE2 PHE A 54 11.986 16.691 39.188 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.074 18.553 37.827 1.00 0.00 H new ATOM 853 N ILE A 55 8.712 12.360 39.569 1.00 0.00 N ATOM 854 CA ILE A 55 9.748 11.473 39.057 1.00 0.00 C ATOM 855 C ILE A 55 9.214 10.703 37.848 1.00 0.00 C ATOM 856 O ILE A 55 9.893 10.534 36.839 1.00 0.00 O ATOM 857 CB ILE A 55 10.183 10.490 40.152 1.00 0.00 C ATOM 858 CG1 ILE A 55 10.953 11.250 41.235 1.00 0.00 C ATOM 859 CG2 ILE A 55 11.089 9.410 39.554 1.00 0.00 C ATOM 860 CD1 ILE A 55 11.109 10.363 42.471 1.00 0.00 C ATOM 0 H ILE A 55 8.389 12.141 40.512 1.00 0.00 H new ATOM 0 HA ILE A 55 10.610 12.067 38.752 1.00 0.00 H new ATOM 0 HB ILE A 55 9.300 10.020 40.584 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.933 11.544 40.860 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.424 12.166 41.497 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.394 8.716 40.337 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.546 8.868 38.780 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.973 9.877 39.119 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.657 10.905 43.241 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.124 10.091 42.850 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.657 9.459 42.204 1.00 0.00 H new ATOM 872 N GLY A 56 7.967 10.265 37.984 1.00 0.00 N ATOM 873 CA GLY A 56 7.283 9.529 36.923 1.00 0.00 C ATOM 874 C GLY A 56 7.091 10.399 35.678 1.00 0.00 C ATOM 875 O GLY A 56 7.255 9.933 34.550 1.00 0.00 O ATOM 0 H GLY A 56 7.405 10.407 38.823 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.859 8.641 36.664 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.313 9.186 37.283 1.00 0.00 H new ATOM 879 N LEU A 57 6.735 11.662 35.899 1.00 0.00 N ATOM 880 CA LEU A 57 6.503 12.611 34.808 1.00 0.00 C ATOM 881 C LEU A 57 7.785 12.929 34.040 1.00 0.00 C ATOM 882 O LEU A 57 7.741 13.219 32.845 1.00 0.00 O ATOM 883 CB LEU A 57 5.907 13.913 35.359 1.00 0.00 C ATOM 884 CG LEU A 57 4.459 13.687 35.823 1.00 0.00 C ATOM 885 CD1 LEU A 57 3.990 14.918 36.605 1.00 0.00 C ATOM 886 CD2 LEU A 57 3.528 13.460 34.610 1.00 0.00 C ATOM 0 H LEU A 57 6.600 12.056 36.830 1.00 0.00 H new ATOM 0 HA LEU A 57 5.803 12.141 34.117 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.511 14.272 36.193 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.933 14.686 34.591 1.00 0.00 H new ATOM 0 HG LEU A 57 4.422 12.802 36.458 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.963 14.768 36.939 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.635 15.066 37.471 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.037 15.797 35.962 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.508 13.302 34.959 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.558 14.334 33.960 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.861 12.583 34.055 1.00 0.00 H new ATOM 898 N THR A 58 8.921 12.852 34.719 1.00 0.00 N ATOM 899 CA THR A 58 10.196 13.115 34.060 1.00 0.00 C ATOM 900 C THR A 58 10.551 11.963 33.124 1.00 0.00 C ATOM 901 O THR A 58 11.077 12.166 32.032 1.00 0.00 O ATOM 902 CB THR A 58 11.309 13.290 35.101 1.00 0.00 C ATOM 903 OG1 THR A 58 11.364 12.142 35.933 1.00 0.00 O ATOM 904 CG2 THR A 58 11.044 14.539 35.953 1.00 0.00 C ATOM 0 H THR A 58 8.989 12.614 35.709 1.00 0.00 H new ATOM 0 HA THR A 58 10.102 14.034 33.481 1.00 0.00 H new ATOM 0 HB THR A 58 12.263 13.411 34.587 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.473 11.739 35.994 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.840 14.653 36.689 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.015 15.419 35.310 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.088 14.433 36.466 1.00 0.00 H new ATOM 912 N ILE A 59 10.223 10.754 33.568 1.00 0.00 N ATOM 913 CA ILE A 59 10.474 9.556 32.771 1.00 0.00 C ATOM 914 C ILE A 59 9.602 9.562 31.516 1.00 0.00 C ATOM 915 O ILE A 59 10.077 9.231 30.429 1.00 0.00 O ATOM 916 CB ILE A 59 10.205 8.291 33.595 1.00 0.00 C ATOM 917 CG1 ILE A 59 11.188 8.210 34.780 1.00 0.00 C ATOM 918 CG2 ILE A 59 10.349 7.050 32.709 1.00 0.00 C ATOM 919 CD1 ILE A 59 12.649 8.203 34.299 1.00 0.00 C ATOM 0 H ILE A 59 9.784 10.577 34.472 1.00 0.00 H new ATOM 0 HA ILE A 59 11.522 9.557 32.472 1.00 0.00 H new ATOM 0 HB ILE A 59 9.188 8.333 33.984 1.00 0.00 H new ATOM 0 HG12 ILE A 59 11.027 9.057 35.447 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.990 7.307 35.358 1.00 0.00 H new ATOM 0 HG21 ILE A 59 10.156 6.156 33.302 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.633 7.103 31.889 1.00 0.00 H new ATOM 0 HG23 ILE A 59 11.360 7.007 32.305 1.00 0.00 H new ATOM 0 HD11 ILE A 59 13.315 8.145 35.160 1.00 0.00 H new ATOM 0 HD12 ILE A 59 12.815 7.341 33.653 1.00 0.00 H new ATOM 0 HD13 ILE A 59 12.853 9.118 33.743 1.00 0.00 H new ATOM 931 N TYR A 60 8.324 9.901 31.664 1.00 0.00 N ATOM 932 CA TYR A 60 7.409 9.897 30.525 1.00 0.00 C ATOM 933 C TYR A 60 7.895 10.804 29.393 1.00 0.00 C ATOM 934 O TYR A 60 7.755 10.451 28.226 1.00 0.00 O ATOM 935 CB TYR A 60 6.002 10.336 30.975 1.00 0.00 C ATOM 936 CG TYR A 60 5.246 9.164 31.574 1.00 0.00 C ATOM 937 CD1 TYR A 60 4.909 8.072 30.766 1.00 0.00 C ATOM 938 CD2 TYR A 60 4.869 9.179 32.923 1.00 0.00 C ATOM 939 CE1 TYR A 60 4.195 6.995 31.306 1.00 0.00 C ATOM 940 CE2 TYR A 60 4.156 8.103 33.462 1.00 0.00 C ATOM 941 CZ TYR A 60 3.818 7.011 32.654 1.00 0.00 C ATOM 942 OH TYR A 60 3.115 5.949 33.186 1.00 0.00 O ATOM 0 H TYR A 60 7.902 10.179 32.550 1.00 0.00 H new ATOM 0 HA TYR A 60 7.373 8.878 30.141 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.082 11.138 31.709 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.450 10.736 30.125 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.200 8.060 29.726 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.129 10.021 33.547 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.935 6.152 30.683 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.866 8.115 34.502 1.00 0.00 H new ATOM 0 HH TYR A 60 2.934 6.119 34.134 1.00 0.00 H new ATOM 952 N ALA A 61 8.469 11.956 29.705 1.00 0.00 N ATOM 953 CA ALA A 61 8.972 12.855 28.672 1.00 0.00 C ATOM 954 C ALA A 61 10.247 12.324 28.016 1.00 0.00 C ATOM 955 O ALA A 61 10.515 12.640 26.856 1.00 0.00 O ATOM 956 CB ALA A 61 9.241 14.238 29.269 1.00 0.00 C ATOM 0 H ALA A 61 8.599 12.291 30.660 1.00 0.00 H new ATOM 0 HA ALA A 61 8.205 12.924 27.900 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.616 14.903 28.491 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.316 14.644 29.678 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.983 14.153 30.063 1.00 0.00 H new ATOM 962 N ILE A 62 11.031 11.521 28.728 1.00 0.00 N ATOM 963 CA ILE A 62 12.260 10.974 28.158 1.00 0.00 C ATOM 964 C ILE A 62 11.982 9.869 27.133 1.00 0.00 C ATOM 965 O ILE A 62 12.600 9.821 26.070 1.00 0.00 O ATOM 966 CB ILE A 62 13.147 10.424 29.280 1.00 0.00 C ATOM 967 CG1 ILE A 62 13.619 11.589 30.157 1.00 0.00 C ATOM 968 CG2 ILE A 62 14.370 9.721 28.680 1.00 0.00 C ATOM 969 CD1 ILE A 62 14.286 11.055 31.430 1.00 0.00 C ATOM 0 H ILE A 62 10.842 11.236 29.689 1.00 0.00 H new ATOM 0 HA ILE A 62 12.770 11.784 27.637 1.00 0.00 H new ATOM 0 HB ILE A 62 12.578 9.710 29.876 1.00 0.00 H new ATOM 0 HG12 ILE A 62 14.322 12.210 29.602 1.00 0.00 H new ATOM 0 HG13 ILE A 62 12.772 12.223 30.420 1.00 0.00 H new ATOM 0 HG21 ILE A 62 14.996 9.332 29.483 1.00 0.00 H new ATOM 0 HG22 ILE A 62 14.042 8.898 28.045 1.00 0.00 H new ATOM 0 HG23 ILE A 62 14.943 10.432 28.085 1.00 0.00 H new ATOM 0 HD11 ILE A 62 14.617 11.891 32.045 1.00 0.00 H new ATOM 0 HD12 ILE A 62 13.571 10.453 31.990 1.00 0.00 H new ATOM 0 HD13 ILE A 62 15.145 10.440 31.160 1.00 0.00 H new ATOM 981 N GLN A 63 11.051 8.982 27.477 1.00 0.00 N ATOM 982 CA GLN A 63 10.706 7.875 26.585 1.00 0.00 C ATOM 983 C GLN A 63 10.108 8.410 25.286 1.00 0.00 C ATOM 984 O GLN A 63 10.398 7.886 24.210 1.00 0.00 O ATOM 985 CB GLN A 63 9.745 6.882 27.268 1.00 0.00 C ATOM 986 CG GLN A 63 8.286 7.371 27.169 1.00 0.00 C ATOM 987 CD GLN A 63 7.685 6.971 25.820 1.00 0.00 C ATOM 988 OE1 GLN A 63 8.309 6.231 25.060 1.00 0.00 O ATOM 989 NE2 GLN A 63 6.504 7.412 25.483 1.00 0.00 N ATOM 0 H GLN A 63 10.528 9.005 28.353 1.00 0.00 H new ATOM 0 HA GLN A 63 11.621 7.332 26.348 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.837 5.901 26.801 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.023 6.763 28.315 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.696 6.943 27.979 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.249 8.454 27.285 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.989 8.025 26.115 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.096 7.143 24.588 1.00 0.00 H new ATOM 998 N ARG A 64 9.331 9.483 25.362 1.00 0.00 N ATOM 999 CA ARG A 64 8.803 10.059 24.134 1.00 0.00 C ATOM 1000 C ARG A 64 9.985 10.532 23.294 1.00 0.00 C ATOM 1001 O ARG A 64 10.086 10.201 22.144 1.00 0.00 O ATOM 1002 CB ARG A 64 7.875 11.239 24.455 1.00 0.00 C ATOM 1003 CG ARG A 64 6.512 10.730 24.963 1.00 0.00 C ATOM 1004 CD ARG A 64 5.579 10.435 23.780 1.00 0.00 C ATOM 1005 NE ARG A 64 5.250 11.675 23.089 1.00 0.00 N ATOM 1006 CZ ARG A 64 4.538 11.676 21.966 1.00 0.00 C ATOM 1007 NH1 ARG A 64 4.109 10.550 21.465 1.00 0.00 N ATOM 1008 NH2 ARG A 64 4.266 12.802 21.366 1.00 0.00 N ATOM 0 H ARG A 64 9.061 9.956 26.224 1.00 0.00 H new ATOM 0 HA ARG A 64 8.223 9.316 23.588 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.336 11.877 25.209 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.733 11.850 23.564 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.652 9.828 25.558 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.058 11.475 25.616 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.059 9.740 23.091 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.668 9.953 24.135 1.00 0.00 H new ATOM 0 HE ARG A 64 5.573 12.562 23.475 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.320 9.670 21.935 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.563 10.550 20.604 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.600 13.682 21.758 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.720 12.802 20.505 1.00 0.00 H new ATOM 1022 N LYS A 65 10.846 11.333 23.876 1.00 0.00 N ATOM 1023 CA LYS A 65 11.992 11.892 23.141 1.00 0.00 C ATOM 1024 C LYS A 65 12.847 10.831 22.415 1.00 0.00 C ATOM 1025 O LYS A 65 13.435 11.146 21.380 1.00 0.00 O ATOM 1026 CB LYS A 65 12.867 12.733 24.076 1.00 0.00 C ATOM 1027 CG LYS A 65 13.996 13.398 23.281 1.00 0.00 C ATOM 1028 CD LYS A 65 14.815 14.291 24.216 1.00 0.00 C ATOM 1029 CE LYS A 65 15.923 14.986 23.424 1.00 0.00 C ATOM 1030 NZ LYS A 65 16.862 13.966 22.878 1.00 0.00 N ATOM 0 H LYS A 65 10.789 11.621 24.853 1.00 0.00 H new ATOM 0 HA LYS A 65 11.569 12.524 22.360 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.261 13.494 24.568 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.286 12.102 24.860 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.636 12.639 22.832 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.582 13.990 22.465 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.169 15.033 24.684 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.248 13.694 25.018 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.491 15.570 22.611 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.461 15.683 24.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.756 14.425 22.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 17.047 13.242 23.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.439 13.518 22.040 1.00 0.00 H new ATOM 1044 N ARG A 66 12.870 9.585 22.865 1.00 0.00 N ATOM 1045 CA ARG A 66 13.608 8.537 22.124 1.00 0.00 C ATOM 1046 C ARG A 66 12.778 7.943 20.955 1.00 0.00 C ATOM 1047 O ARG A 66 13.222 7.888 19.808 1.00 0.00 O ATOM 1048 CB ARG A 66 14.049 7.430 23.084 1.00 0.00 C ATOM 1049 CG ARG A 66 15.147 7.969 24.003 1.00 0.00 C ATOM 1050 CD ARG A 66 15.346 7.019 25.185 1.00 0.00 C ATOM 1051 NE ARG A 66 15.782 5.704 24.731 1.00 0.00 N ATOM 1052 CZ ARG A 66 15.840 4.680 25.576 1.00 0.00 C ATOM 1053 NH1 ARG A 66 15.501 4.847 26.826 1.00 0.00 N ATOM 1054 NH2 ARG A 66 16.236 3.510 25.157 1.00 0.00 N ATOM 0 H ARG A 66 12.404 9.267 23.715 1.00 0.00 H new ATOM 0 HA ARG A 66 14.487 9.007 21.682 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.200 7.085 23.675 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.417 6.571 22.523 1.00 0.00 H new ATOM 0 HG2 ARG A 66 16.079 8.074 23.448 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.877 8.962 24.364 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.085 7.435 25.870 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.413 6.925 25.741 1.00 0.00 H new ATOM 0 HE ARG A 66 16.045 5.569 23.755 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.192 5.763 27.153 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.545 4.062 27.476 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.501 3.381 24.181 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.280 2.724 25.806 1.00 0.00 H new ATOM 1068 N GLN A 67 11.550 7.574 21.286 1.00 0.00 N ATOM 1069 CA GLN A 67 10.543 7.045 20.337 1.00 0.00 C ATOM 1070 C GLN A 67 9.772 8.180 19.645 1.00 0.00 C ATOM 1071 O GLN A 67 8.954 7.961 18.757 1.00 0.00 O ATOM 1072 CB GLN A 67 9.580 6.102 21.060 1.00 0.00 C ATOM 1073 CG GLN A 67 10.324 4.820 21.442 1.00 0.00 C ATOM 1074 CD GLN A 67 11.383 5.134 22.493 1.00 0.00 C ATOM 1075 OE1 GLN A 67 11.077 5.732 23.525 1.00 0.00 O ATOM 1076 NE2 GLN A 67 12.626 4.805 22.271 1.00 0.00 N ATOM 0 H GLN A 67 11.203 7.630 22.243 1.00 0.00 H new ATOM 0 HA GLN A 67 11.070 6.486 19.564 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.180 6.585 21.952 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.731 5.867 20.418 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.621 4.082 21.829 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.792 4.383 20.560 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.877 4.310 21.416 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.346 5.043 22.953 1.00 0.00 H new ATOM 1085 N ALA A 68 9.987 9.366 20.164 1.00 0.00 N ATOM 1086 CA ALA A 68 9.254 10.560 19.714 1.00 0.00 C ATOM 1087 C ALA A 68 9.144 10.534 18.183 1.00 0.00 C ATOM 1088 O ALA A 68 8.084 10.819 17.626 1.00 0.00 O ATOM 1089 CB ALA A 68 10.020 11.833 20.142 1.00 0.00 C ATOM 0 H ALA A 68 10.665 9.546 20.904 1.00 0.00 H new ATOM 0 HA ALA A 68 8.260 10.565 20.161 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.475 12.716 19.807 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.113 11.854 21.228 1.00 0.00 H new ATOM 0 HB3 ALA A 68 11.013 11.828 19.693 1.00 0.00 H new ATOM 1095 N ASP A 69 10.217 10.110 17.523 1.00 0.00 N ATOM 1096 CA ASP A 69 10.192 9.959 16.071 1.00 0.00 C ATOM 1097 C ASP A 69 9.116 8.936 15.710 1.00 0.00 C ATOM 1098 O ASP A 69 8.256 9.186 14.865 1.00 0.00 O ATOM 1099 CB ASP A 69 11.551 9.443 15.591 1.00 0.00 C ATOM 1100 CG ASP A 69 11.538 9.275 14.075 1.00 0.00 C ATOM 1101 OD1 ASP A 69 10.477 9.431 13.492 1.00 0.00 O ATOM 1102 OD2 ASP A 69 12.582 8.970 13.523 1.00 0.00 O ATOM 0 H ASP A 69 11.105 9.867 17.963 1.00 0.00 H new ATOM 0 HA ASP A 69 9.979 10.918 15.599 1.00 0.00 H new ATOM 0 HB2 ASP A 69 12.337 10.140 15.881 1.00 0.00 H new ATOM 0 HB3 ASP A 69 11.777 8.490 16.069 1.00 0.00 H new