USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 585 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 Single : A 1 MET CE :methyl -152:sc= -0.098 (180deg=-0.717) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.306 (180deg=-0.592) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 156:sc= -0.172 (180deg=-1.01) USER MOD Single : A 31 LYS NZ :NH3+ -161:sc= -0.0289 (180deg=-0.421) USER MOD Single : A 33 GLN : amide:sc= -0.0243 K(o=-0.024,f=-1.7!) USER MOD Single : A 39 MET CE :methyl 151:sc= -0.655 (180deg=-1.36) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.472 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -163:sc= -0.0278 (180deg=-0.321) USER MOD Single : A 49 SER OG : rot 40:sc= 0.707 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 165:sc= -0.696 USER MOD Single : A 64 GLN : amide:sc= -0.176 K(o=-0.18,f=-1.1) USER MOD Single : A 70 SER OG : rot 180:sc= -0.146 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 71.546 0.741 -10.222 1.00 0.00 N ATOM 2 CA MET A 1 70.206 0.115 -10.389 1.00 0.00 C ATOM 3 C MET A 1 70.324 -1.381 -10.130 1.00 0.00 C ATOM 4 O MET A 1 69.857 -2.200 -10.920 1.00 0.00 O ATOM 5 CB MET A 1 69.708 0.360 -11.813 1.00 0.00 C ATOM 6 CG MET A 1 69.430 1.852 -12.000 1.00 0.00 C ATOM 7 SD MET A 1 68.847 2.159 -13.689 1.00 0.00 S ATOM 8 CE MET A 1 70.416 1.888 -14.552 1.00 0.00 C ATOM 0 H1 MET A 1 71.441 1.774 -10.161 1.00 0.00 H new ATOM 0 H2 MET A 1 71.989 0.386 -9.351 1.00 0.00 H new ATOM 0 H3 MET A 1 72.145 0.502 -11.038 1.00 0.00 H new ATOM 0 HA MET A 1 69.498 0.551 -9.684 1.00 0.00 H new ATOM 0 HB2 MET A 1 70.453 0.024 -12.534 1.00 0.00 H new ATOM 0 HB3 MET A 1 68.802 -0.217 -11.998 1.00 0.00 H new ATOM 0 HG2 MET A 1 68.682 2.185 -11.281 1.00 0.00 H new ATOM 0 HG3 MET A 1 70.336 2.427 -11.808 1.00 0.00 H new ATOM 0 HE1 MET A 1 70.433 2.476 -15.470 1.00 0.00 H new ATOM 0 HE2 MET A 1 71.242 2.194 -13.910 1.00 0.00 H new ATOM 0 HE3 MET A 1 70.519 0.831 -14.796 1.00 0.00 H new ATOM 20 N TYR A 2 70.949 -1.726 -9.010 1.00 0.00 N ATOM 21 CA TYR A 2 71.131 -3.125 -8.641 1.00 0.00 C ATOM 22 C TYR A 2 69.851 -3.666 -8.022 1.00 0.00 C ATOM 23 O TYR A 2 69.112 -2.925 -7.372 1.00 0.00 O ATOM 24 CB TYR A 2 72.297 -3.264 -7.649 1.00 0.00 C ATOM 25 CG TYR A 2 72.877 -4.670 -7.728 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.290 -5.727 -7.016 1.00 0.00 C ATOM 27 CD2 TYR A 2 74.002 -4.923 -8.538 1.00 0.00 C ATOM 28 CE1 TYR A 2 72.822 -7.018 -7.105 1.00 0.00 C ATOM 29 CE2 TYR A 2 74.527 -6.219 -8.625 1.00 0.00 C ATOM 30 CZ TYR A 2 73.938 -7.265 -7.907 1.00 0.00 C ATOM 31 OH TYR A 2 74.453 -8.541 -7.995 1.00 0.00 O ATOM 0 H TYR A 2 71.337 -1.059 -8.344 1.00 0.00 H new ATOM 0 HA TYR A 2 71.364 -3.700 -9.537 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.069 -2.529 -7.876 1.00 0.00 H new ATOM 0 HB3 TYR A 2 71.951 -3.060 -6.636 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.424 -5.543 -6.397 1.00 0.00 H new ATOM 0 HD2 TYR A 2 74.460 -4.117 -9.092 1.00 0.00 H new ATOM 0 HE1 TYR A 2 72.368 -7.826 -6.551 1.00 0.00 H new ATOM 0 HE2 TYR A 2 75.388 -6.411 -9.248 1.00 0.00 H new ATOM 0 HH TYR A 2 75.228 -8.540 -8.595 1.00 0.00 H new ATOM 41 N GLU A 3 69.590 -4.954 -8.226 1.00 0.00 N ATOM 42 CA GLU A 3 68.383 -5.579 -7.683 1.00 0.00 C ATOM 43 C GLU A 3 68.748 -6.765 -6.792 1.00 0.00 C ATOM 44 O GLU A 3 69.357 -7.732 -7.250 1.00 0.00 O ATOM 45 CB GLU A 3 67.480 -6.050 -8.830 1.00 0.00 C ATOM 46 CG GLU A 3 66.982 -4.835 -9.626 1.00 0.00 C ATOM 47 CD GLU A 3 66.012 -5.284 -10.714 1.00 0.00 C ATOM 48 OE1 GLU A 3 65.825 -6.482 -10.857 1.00 0.00 O ATOM 49 OE2 GLU A 3 65.461 -4.424 -11.380 1.00 0.00 O ATOM 0 H GLU A 3 70.191 -5.583 -8.759 1.00 0.00 H new ATOM 0 HA GLU A 3 67.850 -4.842 -7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 3 68.030 -6.726 -9.485 1.00 0.00 H new ATOM 0 HB3 GLU A 3 66.633 -6.609 -8.433 1.00 0.00 H new ATOM 0 HG2 GLU A 3 66.489 -4.129 -8.957 1.00 0.00 H new ATOM 0 HG3 GLU A 3 67.827 -4.313 -10.074 1.00 0.00 H new ATOM 56 N PHE A 4 68.373 -6.686 -5.513 1.00 0.00 N ATOM 57 CA PHE A 4 68.672 -7.771 -4.571 1.00 0.00 C ATOM 58 C PHE A 4 67.604 -8.857 -4.695 1.00 0.00 C ATOM 59 O PHE A 4 66.476 -8.692 -4.229 1.00 0.00 O ATOM 60 CB PHE A 4 68.747 -7.219 -3.123 1.00 0.00 C ATOM 61 CG PHE A 4 68.539 -8.307 -2.070 1.00 0.00 C ATOM 62 CD1 PHE A 4 69.289 -9.501 -2.117 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.599 -8.112 -1.035 1.00 0.00 C ATOM 64 CE1 PHE A 4 69.092 -10.482 -1.136 1.00 0.00 C ATOM 65 CE2 PHE A 4 67.415 -9.101 -0.063 1.00 0.00 C ATOM 66 CZ PHE A 4 68.159 -10.283 -0.113 1.00 0.00 C ATOM 0 H PHE A 4 67.870 -5.896 -5.109 1.00 0.00 H new ATOM 0 HA PHE A 4 69.642 -8.207 -4.810 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.717 -6.748 -2.967 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.992 -6.444 -2.994 1.00 0.00 H new ATOM 0 HD1 PHE A 4 70.011 -9.658 -2.905 1.00 0.00 H new ATOM 0 HD2 PHE A 4 67.022 -7.200 -0.994 1.00 0.00 H new ATOM 0 HE1 PHE A 4 69.664 -11.397 -1.170 1.00 0.00 H new ATOM 0 HE2 PHE A 4 66.696 -8.951 0.729 1.00 0.00 H new ATOM 0 HZ PHE A 4 68.013 -11.044 0.639 1.00 0.00 H new ATOM 76 N LYS A 5 67.967 -9.964 -5.348 1.00 0.00 N ATOM 77 CA LYS A 5 67.036 -11.079 -5.559 1.00 0.00 C ATOM 78 C LYS A 5 67.330 -12.212 -4.581 1.00 0.00 C ATOM 79 O LYS A 5 68.478 -12.426 -4.193 1.00 0.00 O ATOM 80 CB LYS A 5 67.169 -11.601 -6.995 1.00 0.00 C ATOM 81 CG LYS A 5 66.736 -10.515 -7.981 1.00 0.00 C ATOM 82 CD LYS A 5 66.909 -11.026 -9.411 1.00 0.00 C ATOM 83 CE LYS A 5 66.499 -9.935 -10.399 1.00 0.00 C ATOM 84 NZ LYS A 5 66.699 -10.429 -11.791 1.00 0.00 N ATOM 0 H LYS A 5 68.897 -10.113 -5.740 1.00 0.00 H new ATOM 0 HA LYS A 5 66.021 -10.720 -5.391 1.00 0.00 H new ATOM 0 HB2 LYS A 5 68.200 -11.894 -7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.554 -12.491 -7.127 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.696 -10.242 -7.804 1.00 0.00 H new ATOM 0 HG3 LYS A 5 67.331 -9.614 -7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 5 67.946 -11.314 -9.582 1.00 0.00 H new ATOM 0 HD3 LYS A 5 66.301 -11.917 -9.565 1.00 0.00 H new ATOM 0 HE2 LYS A 5 65.455 -9.662 -10.244 1.00 0.00 H new ATOM 0 HE3 LYS A 5 67.092 -9.036 -10.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 66.421 -9.688 -12.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 67.701 -10.669 -11.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 66.115 -11.276 -11.946 1.00 0.00 H new ATOM 98 N LEU A 6 66.286 -12.937 -4.187 1.00 0.00 N ATOM 99 CA LEU A 6 66.462 -14.051 -3.249 1.00 0.00 C ATOM 100 C LEU A 6 67.131 -15.245 -3.957 1.00 0.00 C ATOM 101 O LEU A 6 66.550 -15.800 -4.890 1.00 0.00 O ATOM 102 CB LEU A 6 65.103 -14.519 -2.683 1.00 0.00 C ATOM 103 CG LEU A 6 65.323 -15.332 -1.386 1.00 0.00 C ATOM 104 CD1 LEU A 6 65.431 -14.393 -0.177 1.00 0.00 C ATOM 105 CD2 LEU A 6 64.146 -16.292 -1.171 1.00 0.00 C ATOM 0 H LEU A 6 65.326 -12.781 -4.493 1.00 0.00 H new ATOM 0 HA LEU A 6 67.092 -13.696 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.468 -13.657 -2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 6 64.583 -15.130 -3.421 1.00 0.00 H new ATOM 0 HG LEU A 6 66.250 -15.897 -1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 6 65.586 -14.981 0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 6 66.273 -13.715 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 6 64.512 -13.815 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 6 64.305 -16.863 -0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 6 63.221 -15.721 -1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 6 64.074 -16.975 -2.017 1.00 0.00 H new ATOM 117 N PRO A 7 68.317 -15.665 -3.550 1.00 0.00 N ATOM 118 CA PRO A 7 69.011 -16.825 -4.195 1.00 0.00 C ATOM 119 C PRO A 7 68.417 -18.160 -3.741 1.00 0.00 C ATOM 120 O PRO A 7 67.800 -18.243 -2.677 1.00 0.00 O ATOM 121 CB PRO A 7 70.463 -16.666 -3.740 1.00 0.00 C ATOM 122 CG PRO A 7 70.360 -16.027 -2.397 1.00 0.00 C ATOM 123 CD PRO A 7 69.137 -15.104 -2.462 1.00 0.00 C ATOM 0 HA PRO A 7 68.908 -16.831 -5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 7 70.970 -17.629 -3.684 1.00 0.00 H new ATOM 0 HB3 PRO A 7 71.031 -16.046 -4.433 1.00 0.00 H new ATOM 0 HG2 PRO A 7 70.241 -16.778 -1.616 1.00 0.00 H new ATOM 0 HG3 PRO A 7 71.263 -15.463 -2.163 1.00 0.00 H new ATOM 0 HD2 PRO A 7 68.593 -15.096 -1.517 1.00 0.00 H new ATOM 0 HD3 PRO A 7 69.426 -14.074 -2.672 1.00 0.00 H new ATOM 221 N GLU A 15 57.677 -21.089 -1.935 1.00 0.00 N ATOM 222 CA GLU A 15 57.517 -19.627 -1.983 1.00 0.00 C ATOM 223 C GLU A 15 58.342 -18.971 -0.880 1.00 0.00 C ATOM 224 O GLU A 15 58.659 -19.610 0.123 1.00 0.00 O ATOM 225 CB GLU A 15 56.044 -19.214 -1.843 1.00 0.00 C ATOM 226 CG GLU A 15 55.195 -19.912 -2.916 1.00 0.00 C ATOM 227 CD GLU A 15 54.800 -21.308 -2.446 1.00 0.00 C ATOM 228 OE1 GLU A 15 55.275 -21.712 -1.397 1.00 0.00 O ATOM 229 OE2 GLU A 15 54.042 -21.956 -3.147 1.00 0.00 O ATOM 0 HA GLU A 15 57.873 -19.288 -2.956 1.00 0.00 H new ATOM 0 HB2 GLU A 15 55.677 -19.477 -0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 15 55.951 -18.132 -1.941 1.00 0.00 H new ATOM 0 HG2 GLU A 15 54.301 -19.323 -3.123 1.00 0.00 H new ATOM 0 HG3 GLU A 15 55.756 -19.979 -3.848 1.00 0.00 H new ATOM 236 N GLY A 16 58.694 -17.692 -1.060 1.00 0.00 N ATOM 237 CA GLY A 16 59.482 -16.983 -0.053 1.00 0.00 C ATOM 238 C GLY A 16 58.557 -16.248 0.906 1.00 0.00 C ATOM 239 O GLY A 16 57.387 -16.046 0.600 1.00 0.00 O ATOM 0 H GLY A 16 58.449 -17.137 -1.880 1.00 0.00 H new ATOM 0 HA2 GLY A 16 60.104 -17.689 0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 16 60.155 -16.275 -0.537 1.00 0.00 H new ATOM 243 N GLU A 17 59.074 -15.854 2.069 1.00 0.00 N ATOM 244 CA GLU A 17 58.255 -15.145 3.051 1.00 0.00 C ATOM 245 C GLU A 17 59.129 -14.291 3.959 1.00 0.00 C ATOM 246 O GLU A 17 60.178 -14.733 4.426 1.00 0.00 O ATOM 247 CB GLU A 17 57.472 -16.156 3.893 1.00 0.00 C ATOM 248 CG GLU A 17 56.358 -15.450 4.673 1.00 0.00 C ATOM 249 CD GLU A 17 56.953 -14.637 5.819 1.00 0.00 C ATOM 250 OE1 GLU A 17 58.006 -15.014 6.302 1.00 0.00 O ATOM 251 OE2 GLU A 17 56.341 -13.652 6.200 1.00 0.00 O ATOM 0 H GLU A 17 60.041 -16.011 2.352 1.00 0.00 H new ATOM 0 HA GLU A 17 57.560 -14.493 2.521 1.00 0.00 H new ATOM 0 HB2 GLU A 17 57.043 -16.923 3.247 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.145 -16.662 4.585 1.00 0.00 H new ATOM 0 HG2 GLU A 17 55.795 -14.796 4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 17 55.656 -16.186 5.065 1.00 0.00 H new ATOM 258 N ILE A 18 58.687 -13.059 4.206 1.00 0.00 N ATOM 259 CA ILE A 18 59.434 -12.129 5.061 1.00 0.00 C ATOM 260 C ILE A 18 58.813 -12.027 6.453 1.00 0.00 C ATOM 261 O ILE A 18 57.647 -11.668 6.602 1.00 0.00 O ATOM 262 CB ILE A 18 59.466 -10.746 4.390 1.00 0.00 C ATOM 263 CG1 ILE A 18 60.415 -10.783 3.174 1.00 0.00 C ATOM 264 CG2 ILE A 18 59.927 -9.665 5.377 1.00 0.00 C ATOM 265 CD1 ILE A 18 61.888 -10.633 3.612 1.00 0.00 C ATOM 0 H ILE A 18 57.819 -12.680 3.829 1.00 0.00 H new ATOM 0 HA ILE A 18 60.449 -12.506 5.183 1.00 0.00 H new ATOM 0 HB ILE A 18 58.457 -10.499 4.061 1.00 0.00 H new ATOM 0 HG12 ILE A 18 60.286 -11.723 2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 18 60.155 -9.982 2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 18 59.940 -8.697 4.876 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.240 -9.627 6.222 1.00 0.00 H new ATOM 0 HG23 ILE A 18 60.929 -9.902 5.735 1.00 0.00 H new ATOM 0 HD11 ILE A 18 62.533 -10.663 2.734 1.00 0.00 H new ATOM 0 HD12 ILE A 18 62.019 -9.681 4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 18 62.152 -11.449 4.285 1.00 0.00 H new ATOM 277 N VAL A 19 59.610 -12.349 7.475 1.00 0.00 N ATOM 278 CA VAL A 19 59.130 -12.294 8.855 1.00 0.00 C ATOM 279 C VAL A 19 59.401 -10.935 9.515 1.00 0.00 C ATOM 280 O VAL A 19 58.531 -10.408 10.208 1.00 0.00 O ATOM 281 CB VAL A 19 59.789 -13.406 9.675 1.00 0.00 C ATOM 282 CG1 VAL A 19 61.302 -13.198 9.717 1.00 0.00 C ATOM 283 CG2 VAL A 19 59.228 -13.388 11.099 1.00 0.00 C ATOM 0 H VAL A 19 60.580 -12.647 7.374 1.00 0.00 H new ATOM 0 HA VAL A 19 58.049 -12.434 8.830 1.00 0.00 H new ATOM 0 HB VAL A 19 59.576 -14.369 9.210 1.00 0.00 H new ATOM 0 HG11 VAL A 19 61.763 -13.994 10.302 1.00 0.00 H new ATOM 0 HG12 VAL A 19 61.700 -13.217 8.703 1.00 0.00 H new ATOM 0 HG13 VAL A 19 61.524 -12.235 10.176 1.00 0.00 H new ATOM 0 HG21 VAL A 19 59.696 -14.179 11.685 1.00 0.00 H new ATOM 0 HG22 VAL A 19 59.437 -12.423 11.560 1.00 0.00 H new ATOM 0 HG23 VAL A 19 58.150 -13.549 11.068 1.00 0.00 H new ATOM 293 N ARG A 20 60.613 -10.379 9.340 1.00 0.00 N ATOM 294 CA ARG A 20 60.950 -9.094 9.984 1.00 0.00 C ATOM 295 C ARG A 20 61.785 -8.167 9.081 1.00 0.00 C ATOM 296 O ARG A 20 62.734 -8.601 8.429 1.00 0.00 O ATOM 297 CB ARG A 20 61.734 -9.384 11.274 1.00 0.00 C ATOM 298 CG ARG A 20 61.997 -8.086 12.045 1.00 0.00 C ATOM 299 CD ARG A 20 62.801 -8.405 13.307 1.00 0.00 C ATOM 300 NE ARG A 20 64.125 -8.897 12.944 1.00 0.00 N ATOM 301 CZ ARG A 20 64.991 -9.291 13.872 1.00 0.00 C ATOM 302 NH1 ARG A 20 64.685 -9.184 15.136 1.00 0.00 N ATOM 303 NH2 ARG A 20 66.154 -9.766 13.521 1.00 0.00 N ATOM 0 H ARG A 20 61.358 -10.785 8.774 1.00 0.00 H new ATOM 0 HA ARG A 20 60.014 -8.575 10.192 1.00 0.00 H new ATOM 0 HB2 ARG A 20 61.173 -10.078 11.899 1.00 0.00 H new ATOM 0 HB3 ARG A 20 62.680 -9.868 11.031 1.00 0.00 H new ATOM 0 HG2 ARG A 20 62.545 -7.382 11.419 1.00 0.00 H new ATOM 0 HG3 ARG A 20 61.054 -7.609 12.311 1.00 0.00 H new ATOM 0 HD2 ARG A 20 62.893 -7.512 13.925 1.00 0.00 H new ATOM 0 HD3 ARG A 20 62.277 -9.152 13.903 1.00 0.00 H new ATOM 0 HE ARG A 20 64.391 -8.939 11.960 1.00 0.00 H new ATOM 0 HH11 ARG A 20 63.782 -8.798 15.411 1.00 0.00 H new ATOM 0 HH12 ARG A 20 65.349 -9.486 15.849 1.00 0.00 H new ATOM 0 HH21 ARG A 20 66.400 -9.835 12.533 1.00 0.00 H new ATOM 0 HH22 ARG A 20 66.818 -10.068 14.234 1.00 0.00 H new ATOM 317 N TRP A 21 61.443 -6.866 9.104 1.00 0.00 N ATOM 318 CA TRP A 21 62.182 -5.834 8.351 1.00 0.00 C ATOM 319 C TRP A 21 62.875 -4.928 9.378 1.00 0.00 C ATOM 320 O TRP A 21 62.289 -4.632 10.422 1.00 0.00 O ATOM 321 CB TRP A 21 61.235 -4.953 7.493 1.00 0.00 C ATOM 322 CG TRP A 21 60.947 -5.567 6.153 1.00 0.00 C ATOM 323 CD1 TRP A 21 59.712 -5.921 5.728 1.00 0.00 C ATOM 324 CD2 TRP A 21 61.859 -5.848 5.026 1.00 0.00 C ATOM 325 NE1 TRP A 21 59.805 -6.437 4.450 1.00 0.00 N ATOM 326 CE2 TRP A 21 61.099 -6.411 3.973 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.247 -5.693 4.819 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.688 -6.805 2.761 1.00 0.00 C ATOM 329 CZ3 TRP A 21 63.840 -6.080 3.598 1.00 0.00 C ATOM 330 CH2 TRP A 21 63.060 -6.634 2.574 1.00 0.00 C ATOM 0 H TRP A 21 60.655 -6.502 9.639 1.00 0.00 H new ATOM 0 HA TRP A 21 62.888 -6.325 7.681 1.00 0.00 H new ATOM 0 HB2 TRP A 21 60.299 -4.800 8.029 1.00 0.00 H new ATOM 0 HB3 TRP A 21 61.685 -3.970 7.351 1.00 0.00 H new ATOM 0 HD1 TRP A 21 58.800 -5.817 6.297 1.00 0.00 H new ATOM 0 HE1 TRP A 21 59.010 -6.795 3.921 1.00 0.00 H new ATOM 0 HE3 TRP A 21 63.861 -5.274 5.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 61.083 -7.238 1.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 64.902 -5.948 3.452 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.520 -6.928 1.642 1.00 0.00 H new ATOM 341 N ASP A 22 64.105 -4.483 9.098 1.00 0.00 N ATOM 342 CA ASP A 22 64.832 -3.609 10.036 1.00 0.00 C ATOM 343 C ASP A 22 65.297 -2.322 9.358 1.00 0.00 C ATOM 344 O ASP A 22 66.188 -1.639 9.862 1.00 0.00 O ATOM 345 CB ASP A 22 66.050 -4.335 10.593 1.00 0.00 C ATOM 346 CG ASP A 22 67.017 -4.667 9.461 1.00 0.00 C ATOM 347 OD1 ASP A 22 66.585 -5.272 8.494 1.00 0.00 O ATOM 348 OD2 ASP A 22 68.174 -4.300 9.576 1.00 0.00 O ATOM 0 H ASP A 22 64.615 -4.707 8.244 1.00 0.00 H new ATOM 0 HA ASP A 22 64.144 -3.353 10.842 1.00 0.00 H new ATOM 0 HB2 ASP A 22 66.547 -3.712 11.337 1.00 0.00 H new ATOM 0 HB3 ASP A 22 65.740 -5.250 11.098 1.00 0.00 H new ATOM 353 N VAL A 23 64.698 -1.986 8.215 1.00 0.00 N ATOM 354 CA VAL A 23 65.071 -0.766 7.488 1.00 0.00 C ATOM 355 C VAL A 23 63.817 -0.005 7.061 1.00 0.00 C ATOM 356 O VAL A 23 62.743 -0.594 6.940 1.00 0.00 O ATOM 357 CB VAL A 23 65.922 -1.129 6.260 1.00 0.00 C ATOM 358 CG1 VAL A 23 66.969 -2.174 6.661 1.00 0.00 C ATOM 359 CG2 VAL A 23 65.029 -1.692 5.142 1.00 0.00 C ATOM 0 H VAL A 23 63.959 -2.534 7.774 1.00 0.00 H new ATOM 0 HA VAL A 23 65.659 -0.125 8.145 1.00 0.00 H new ATOM 0 HB VAL A 23 66.420 -0.232 5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 23 67.575 -2.434 5.793 1.00 0.00 H new ATOM 0 HG12 VAL A 23 67.611 -1.765 7.442 1.00 0.00 H new ATOM 0 HG13 VAL A 23 66.467 -3.067 7.034 1.00 0.00 H new ATOM 0 HG21 VAL A 23 65.644 -1.945 4.278 1.00 0.00 H new ATOM 0 HG22 VAL A 23 64.519 -2.587 5.499 1.00 0.00 H new ATOM 0 HG23 VAL A 23 64.290 -0.944 4.855 1.00 0.00 H new ATOM 369 N LYS A 24 63.952 1.307 6.842 1.00 0.00 N ATOM 370 CA LYS A 24 62.815 2.134 6.434 1.00 0.00 C ATOM 371 C LYS A 24 63.181 2.947 5.200 1.00 0.00 C ATOM 372 O LYS A 24 64.296 3.460 5.091 1.00 0.00 O ATOM 373 CB LYS A 24 62.426 3.070 7.582 1.00 0.00 C ATOM 374 CG LYS A 24 61.920 2.232 8.758 1.00 0.00 C ATOM 375 CD LYS A 24 61.533 3.149 9.919 1.00 0.00 C ATOM 376 CE LYS A 24 61.005 2.301 11.077 1.00 0.00 C ATOM 377 NZ LYS A 24 60.631 3.187 12.217 1.00 0.00 N ATOM 0 H LYS A 24 64.831 1.815 6.940 1.00 0.00 H new ATOM 0 HA LYS A 24 61.969 1.491 6.193 1.00 0.00 H new ATOM 0 HB2 LYS A 24 63.285 3.668 7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 24 61.653 3.766 7.255 1.00 0.00 H new ATOM 0 HG2 LYS A 24 61.060 1.638 8.450 1.00 0.00 H new ATOM 0 HG3 LYS A 24 62.693 1.532 9.077 1.00 0.00 H new ATOM 0 HD2 LYS A 24 62.397 3.730 10.243 1.00 0.00 H new ATOM 0 HD3 LYS A 24 60.773 3.861 9.598 1.00 0.00 H new ATOM 0 HE2 LYS A 24 60.139 1.724 10.753 1.00 0.00 H new ATOM 0 HE3 LYS A 24 61.765 1.586 11.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 60.272 2.608 13.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 61.467 3.719 12.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 59.892 3.852 11.912 1.00 0.00 H new ATOM 391 N GLU A 25 62.236 3.060 4.277 1.00 0.00 N ATOM 392 CA GLU A 25 62.460 3.808 3.047 1.00 0.00 C ATOM 393 C GLU A 25 62.830 5.258 3.347 1.00 0.00 C ATOM 394 O GLU A 25 62.284 5.877 4.261 1.00 0.00 O ATOM 395 CB GLU A 25 61.199 3.768 2.179 1.00 0.00 C ATOM 396 CG GLU A 25 60.003 4.265 2.991 1.00 0.00 C ATOM 397 CD GLU A 25 58.738 4.219 2.141 1.00 0.00 C ATOM 398 OE1 GLU A 25 58.841 4.447 0.948 1.00 0.00 O ATOM 399 OE2 GLU A 25 57.683 3.961 2.698 1.00 0.00 O ATOM 0 H GLU A 25 61.308 2.644 4.356 1.00 0.00 H new ATOM 0 HA GLU A 25 63.289 3.345 2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 25 61.334 4.390 1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 25 61.017 2.752 1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 25 59.876 3.648 3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 25 60.184 5.284 3.333 1.00 0.00 H new ATOM 406 N GLY A 26 63.769 5.794 2.567 1.00 0.00 N ATOM 407 CA GLY A 26 64.211 7.176 2.747 1.00 0.00 C ATOM 408 C GLY A 26 65.398 7.273 3.708 1.00 0.00 C ATOM 409 O GLY A 26 65.832 8.374 4.049 1.00 0.00 O ATOM 0 H GLY A 26 64.235 5.296 1.809 1.00 0.00 H new ATOM 0 HA2 GLY A 26 64.490 7.597 1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.384 7.775 3.129 1.00 0.00 H new ATOM 413 N ASP A 27 65.926 6.123 4.139 1.00 0.00 N ATOM 414 CA ASP A 27 67.071 6.106 5.063 1.00 0.00 C ATOM 415 C ASP A 27 68.328 5.604 4.355 1.00 0.00 C ATOM 416 O ASP A 27 68.322 5.386 3.145 1.00 0.00 O ATOM 417 CB ASP A 27 66.754 5.207 6.261 1.00 0.00 C ATOM 418 CG ASP A 27 67.771 5.434 7.375 1.00 0.00 C ATOM 419 OD1 ASP A 27 68.480 6.427 7.313 1.00 0.00 O ATOM 420 OD2 ASP A 27 67.837 4.607 8.269 1.00 0.00 O ATOM 0 H ASP A 27 65.586 5.200 3.868 1.00 0.00 H new ATOM 0 HA ASP A 27 67.254 7.123 5.410 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.749 5.418 6.627 1.00 0.00 H new ATOM 0 HB3 ASP A 27 66.768 4.161 5.954 1.00 0.00 H new ATOM 425 N MET A 28 69.410 5.433 5.122 1.00 0.00 N ATOM 426 CA MET A 28 70.689 4.967 4.572 1.00 0.00 C ATOM 427 C MET A 28 71.122 3.660 5.235 1.00 0.00 C ATOM 428 O MET A 28 70.779 3.390 6.385 1.00 0.00 O ATOM 429 CB MET A 28 71.764 6.034 4.796 1.00 0.00 C ATOM 430 CG MET A 28 71.486 7.233 3.887 1.00 0.00 C ATOM 431 SD MET A 28 72.630 8.579 4.279 1.00 0.00 S ATOM 432 CE MET A 28 74.157 7.755 3.766 1.00 0.00 C ATOM 0 H MET A 28 69.426 5.610 6.126 1.00 0.00 H new ATOM 0 HA MET A 28 70.561 4.789 3.504 1.00 0.00 H new ATOM 0 HB2 MET A 28 71.769 6.348 5.840 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.751 5.623 4.583 1.00 0.00 H new ATOM 0 HG2 MET A 28 71.597 6.942 2.842 1.00 0.00 H new ATOM 0 HG3 MET A 28 70.457 7.569 4.017 1.00 0.00 H new ATOM 0 HE1 MET A 28 74.909 8.504 3.518 1.00 0.00 H new ATOM 0 HE2 MET A 28 74.523 7.129 4.579 1.00 0.00 H new ATOM 0 HE3 MET A 28 73.960 7.135 2.891 1.00 0.00 H new ATOM 442 N VAL A 29 71.885 2.849 4.496 1.00 0.00 N ATOM 443 CA VAL A 29 72.370 1.563 5.010 1.00 0.00 C ATOM 444 C VAL A 29 73.881 1.455 4.812 1.00 0.00 C ATOM 445 O VAL A 29 74.463 2.184 4.008 1.00 0.00 O ATOM 446 CB VAL A 29 71.663 0.414 4.284 1.00 0.00 C ATOM 447 CG1 VAL A 29 71.951 -0.911 4.998 1.00 0.00 C ATOM 448 CG2 VAL A 29 70.156 0.678 4.285 1.00 0.00 C ATOM 0 H VAL A 29 72.180 3.059 3.542 1.00 0.00 H new ATOM 0 HA VAL A 29 72.150 1.501 6.076 1.00 0.00 H new ATOM 0 HB VAL A 29 72.029 0.351 3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 29 71.445 -1.723 4.476 1.00 0.00 H new ATOM 0 HG12 VAL A 29 73.025 -1.096 5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 29 71.588 -0.858 6.024 1.00 0.00 H new ATOM 0 HG21 VAL A 29 69.644 -0.135 3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 29 69.798 0.739 5.313 1.00 0.00 H new ATOM 0 HG23 VAL A 29 69.951 1.618 3.773 1.00 0.00 H new ATOM 458 N GLU A 30 74.508 0.544 5.558 1.00 0.00 N ATOM 459 CA GLU A 30 75.959 0.342 5.480 1.00 0.00 C ATOM 460 C GLU A 30 76.290 -1.143 5.320 1.00 0.00 C ATOM 461 O GLU A 30 75.501 -2.010 5.690 1.00 0.00 O ATOM 462 CB GLU A 30 76.628 0.880 6.749 1.00 0.00 C ATOM 463 CG GLU A 30 76.465 2.400 6.819 1.00 0.00 C ATOM 464 CD GLU A 30 77.259 3.065 5.700 1.00 0.00 C ATOM 465 OE1 GLU A 30 78.162 2.429 5.181 1.00 0.00 O ATOM 466 OE2 GLU A 30 76.953 4.201 5.378 1.00 0.00 O ATOM 0 H GLU A 30 74.035 -0.067 6.224 1.00 0.00 H new ATOM 0 HA GLU A 30 76.335 0.881 4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 30 76.183 0.417 7.630 1.00 0.00 H new ATOM 0 HB3 GLU A 30 77.686 0.618 6.752 1.00 0.00 H new ATOM 0 HG2 GLU A 30 75.411 2.665 6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 30 76.809 2.766 7.786 1.00 0.00 H new ATOM 473 N LYS A 31 77.466 -1.415 4.755 1.00 0.00 N ATOM 474 CA LYS A 31 77.912 -2.788 4.536 1.00 0.00 C ATOM 475 C LYS A 31 78.140 -3.494 5.874 1.00 0.00 C ATOM 476 O LYS A 31 78.647 -2.889 6.819 1.00 0.00 O ATOM 477 CB LYS A 31 79.210 -2.778 3.714 1.00 0.00 C ATOM 478 CG LYS A 31 79.615 -4.207 3.342 1.00 0.00 C ATOM 479 CD LYS A 31 80.829 -4.171 2.411 1.00 0.00 C ATOM 480 CE LYS A 31 81.200 -5.604 2.025 1.00 0.00 C ATOM 481 NZ LYS A 31 81.688 -6.330 3.230 1.00 0.00 N ATOM 0 H LYS A 31 78.125 -0.703 4.441 1.00 0.00 H new ATOM 0 HA LYS A 31 77.142 -3.331 3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 31 79.071 -2.185 2.810 1.00 0.00 H new ATOM 0 HB3 LYS A 31 80.007 -2.304 4.287 1.00 0.00 H new ATOM 0 HG2 LYS A 31 79.851 -4.775 4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 31 78.784 -4.716 2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 31 80.603 -3.587 1.519 1.00 0.00 H new ATOM 0 HD3 LYS A 31 81.669 -3.684 2.906 1.00 0.00 H new ATOM 0 HE2 LYS A 31 80.334 -6.115 1.605 1.00 0.00 H new ATOM 0 HE3 LYS A 31 81.971 -5.597 1.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 82.231 -7.166 2.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 82.298 -5.701 3.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 80.876 -6.630 3.807 1.00 0.00 H new ATOM 495 N ASP A 32 77.753 -4.769 5.948 1.00 0.00 N ATOM 496 CA ASP A 32 77.916 -5.553 7.175 1.00 0.00 C ATOM 497 C ASP A 32 77.161 -4.922 8.346 1.00 0.00 C ATOM 498 O ASP A 32 77.585 -5.028 9.497 1.00 0.00 O ATOM 499 CB ASP A 32 79.401 -5.684 7.530 1.00 0.00 C ATOM 500 CG ASP A 32 80.097 -6.580 6.510 1.00 0.00 C ATOM 501 OD1 ASP A 32 79.399 -7.224 5.746 1.00 0.00 O ATOM 502 OD2 ASP A 32 81.317 -6.605 6.506 1.00 0.00 O ATOM 0 H ASP A 32 77.326 -5.280 5.175 1.00 0.00 H new ATOM 0 HA ASP A 32 77.498 -6.543 6.992 1.00 0.00 H new ATOM 0 HB2 ASP A 32 79.870 -4.700 7.544 1.00 0.00 H new ATOM 0 HB3 ASP A 32 79.510 -6.103 8.530 1.00 0.00 H new ATOM 507 N GLN A 33 76.032 -4.277 8.049 1.00 0.00 N ATOM 508 CA GLN A 33 75.215 -3.645 9.089 1.00 0.00 C ATOM 509 C GLN A 33 73.736 -3.710 8.704 1.00 0.00 C ATOM 510 O GLN A 33 73.218 -2.790 8.071 1.00 0.00 O ATOM 511 CB GLN A 33 75.626 -2.183 9.255 1.00 0.00 C ATOM 512 CG GLN A 33 74.821 -1.554 10.395 1.00 0.00 C ATOM 513 CD GLN A 33 75.346 -0.153 10.686 1.00 0.00 C ATOM 514 OE1 GLN A 33 76.485 0.166 10.347 1.00 0.00 O ATOM 515 NE2 GLN A 33 74.579 0.712 11.294 1.00 0.00 N ATOM 0 H GLN A 33 75.663 -4.178 7.103 1.00 0.00 H new ATOM 0 HA GLN A 33 75.370 -4.177 10.028 1.00 0.00 H new ATOM 0 HB2 GLN A 33 76.693 -2.116 9.468 1.00 0.00 H new ATOM 0 HB3 GLN A 33 75.451 -1.637 8.328 1.00 0.00 H new ATOM 0 HG2 GLN A 33 73.766 -1.508 10.125 1.00 0.00 H new ATOM 0 HG3 GLN A 33 74.895 -2.173 11.289 1.00 0.00 H new ATOM 0 HE21 GLN A 33 73.635 0.447 11.575 1.00 0.00 H new ATOM 0 HE22 GLN A 33 74.924 1.652 11.488 1.00 0.00 H new ATOM 524 N ASP A 34 73.061 -4.805 9.068 1.00 0.00 N ATOM 525 CA ASP A 34 71.655 -4.964 8.725 1.00 0.00 C ATOM 526 C ASP A 34 71.076 -6.191 9.424 1.00 0.00 C ATOM 527 O ASP A 34 71.649 -7.278 9.361 1.00 0.00 O ATOM 528 CB ASP A 34 71.529 -5.123 7.208 1.00 0.00 C ATOM 529 CG ASP A 34 70.064 -5.156 6.789 1.00 0.00 C ATOM 530 OD1 ASP A 34 69.215 -5.234 7.663 1.00 0.00 O ATOM 531 OD2 ASP A 34 69.811 -5.103 5.596 1.00 0.00 O ATOM 0 H ASP A 34 73.464 -5.581 9.593 1.00 0.00 H new ATOM 0 HA ASP A 34 71.100 -4.085 9.053 1.00 0.00 H new ATOM 0 HB2 ASP A 34 72.037 -4.299 6.708 1.00 0.00 H new ATOM 0 HB3 ASP A 34 72.024 -6.041 6.891 1.00 0.00 H new ATOM 536 N LEU A 35 69.932 -6.010 10.083 1.00 0.00 N ATOM 537 CA LEU A 35 69.272 -7.119 10.791 1.00 0.00 C ATOM 538 C LEU A 35 68.005 -7.533 10.060 1.00 0.00 C ATOM 539 O LEU A 35 66.904 -7.104 10.394 1.00 0.00 O ATOM 540 CB LEU A 35 68.940 -6.716 12.236 1.00 0.00 C ATOM 541 CG LEU A 35 70.246 -6.511 13.021 1.00 0.00 C ATOM 542 CD1 LEU A 35 69.925 -5.881 14.382 1.00 0.00 C ATOM 543 CD2 LEU A 35 70.971 -7.860 13.232 1.00 0.00 C ATOM 0 H LEU A 35 69.443 -5.117 10.145 1.00 0.00 H new ATOM 0 HA LEU A 35 69.957 -7.966 10.815 1.00 0.00 H new ATOM 0 HB2 LEU A 35 68.350 -5.799 12.243 1.00 0.00 H new ATOM 0 HB3 LEU A 35 68.335 -7.488 12.711 1.00 0.00 H new ATOM 0 HG LEU A 35 70.900 -5.851 12.452 1.00 0.00 H new ATOM 0 HD11 LEU A 35 70.849 -5.734 14.942 1.00 0.00 H new ATOM 0 HD12 LEU A 35 69.435 -4.919 14.231 1.00 0.00 H new ATOM 0 HD13 LEU A 35 69.263 -6.542 14.942 1.00 0.00 H new ATOM 0 HD21 LEU A 35 71.893 -7.694 13.789 1.00 0.00 H new ATOM 0 HD22 LEU A 35 70.325 -8.537 13.792 1.00 0.00 H new ATOM 0 HD23 LEU A 35 71.207 -8.302 12.264 1.00 0.00 H new ATOM 555 N VAL A 36 68.177 -8.385 9.055 1.00 0.00 N ATOM 556 CA VAL A 36 67.054 -8.884 8.254 1.00 0.00 C ATOM 557 C VAL A 36 66.945 -10.397 8.417 1.00 0.00 C ATOM 558 O VAL A 36 67.935 -11.120 8.306 1.00 0.00 O ATOM 559 CB VAL A 36 67.253 -8.503 6.764 1.00 0.00 C ATOM 560 CG1 VAL A 36 68.747 -8.505 6.433 1.00 0.00 C ATOM 561 CG2 VAL A 36 66.541 -9.518 5.843 1.00 0.00 C ATOM 0 H VAL A 36 69.087 -8.749 8.771 1.00 0.00 H new ATOM 0 HA VAL A 36 66.127 -8.427 8.601 1.00 0.00 H new ATOM 0 HB VAL A 36 66.829 -7.512 6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 36 68.888 -8.237 5.386 1.00 0.00 H new ATOM 0 HG12 VAL A 36 69.261 -7.781 7.065 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.158 -9.499 6.612 1.00 0.00 H new ATOM 0 HG21 VAL A 36 66.692 -9.233 4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 36 66.953 -10.513 6.011 1.00 0.00 H new ATOM 0 HG23 VAL A 36 65.474 -9.525 6.066 1.00 0.00 H new ATOM 571 N GLU A 37 65.724 -10.863 8.661 1.00 0.00 N ATOM 572 CA GLU A 37 65.461 -12.293 8.821 1.00 0.00 C ATOM 573 C GLU A 37 64.646 -12.799 7.638 1.00 0.00 C ATOM 574 O GLU A 37 63.513 -12.369 7.425 1.00 0.00 O ATOM 575 CB GLU A 37 64.698 -12.546 10.122 1.00 0.00 C ATOM 576 CG GLU A 37 65.614 -12.272 11.315 1.00 0.00 C ATOM 577 CD GLU A 37 64.844 -12.479 12.614 1.00 0.00 C ATOM 578 OE1 GLU A 37 63.691 -12.084 12.664 1.00 0.00 O ATOM 579 OE2 GLU A 37 65.415 -13.034 13.537 1.00 0.00 O ATOM 0 H GLU A 37 64.898 -10.271 8.753 1.00 0.00 H new ATOM 0 HA GLU A 37 66.411 -12.827 8.860 1.00 0.00 H new ATOM 0 HB2 GLU A 37 63.819 -11.904 10.171 1.00 0.00 H new ATOM 0 HB3 GLU A 37 64.342 -13.576 10.153 1.00 0.00 H new ATOM 0 HG2 GLU A 37 66.477 -12.937 11.283 1.00 0.00 H new ATOM 0 HG3 GLU A 37 65.995 -11.252 11.266 1.00 0.00 H new ATOM 586 N VAL A 38 65.232 -13.710 6.864 1.00 0.00 N ATOM 587 CA VAL A 38 64.557 -14.268 5.694 1.00 0.00 C ATOM 588 C VAL A 38 64.259 -15.749 5.903 1.00 0.00 C ATOM 589 O VAL A 38 65.128 -16.523 6.321 1.00 0.00 O ATOM 590 CB VAL A 38 65.430 -14.079 4.447 1.00 0.00 C ATOM 591 CG1 VAL A 38 65.403 -12.606 4.034 1.00 0.00 C ATOM 592 CG2 VAL A 38 66.875 -14.486 4.744 1.00 0.00 C ATOM 0 H VAL A 38 66.170 -14.077 7.025 1.00 0.00 H new ATOM 0 HA VAL A 38 63.613 -13.741 5.553 1.00 0.00 H new ATOM 0 HB VAL A 38 65.040 -14.704 3.644 1.00 0.00 H new ATOM 0 HG11 VAL A 38 66.022 -12.465 3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 38 64.378 -12.309 3.812 1.00 0.00 H new ATOM 0 HG13 VAL A 38 65.790 -11.993 4.848 1.00 0.00 H new ATOM 0 HG21 VAL A 38 67.483 -14.347 3.850 1.00 0.00 H new ATOM 0 HG22 VAL A 38 67.269 -13.868 5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 38 66.904 -15.534 5.043 1.00 0.00 H new ATOM 602 N MET A 39 63.015 -16.133 5.609 1.00 0.00 N ATOM 603 CA MET A 39 62.577 -17.522 5.759 1.00 0.00 C ATOM 604 C MET A 39 62.323 -18.145 4.394 1.00 0.00 C ATOM 605 O MET A 39 61.386 -17.759 3.693 1.00 0.00 O ATOM 606 CB MET A 39 61.285 -17.573 6.582 1.00 0.00 C ATOM 607 CG MET A 39 60.842 -19.030 6.753 1.00 0.00 C ATOM 608 SD MET A 39 59.444 -19.115 7.902 1.00 0.00 S ATOM 609 CE MET A 39 58.213 -18.319 6.842 1.00 0.00 C ATOM 0 H MET A 39 62.292 -15.500 5.265 1.00 0.00 H new ATOM 0 HA MET A 39 63.362 -18.081 6.269 1.00 0.00 H new ATOM 0 HB2 MET A 39 61.445 -17.114 7.558 1.00 0.00 H new ATOM 0 HB3 MET A 39 60.502 -17.000 6.085 1.00 0.00 H new ATOM 0 HG2 MET A 39 60.557 -19.449 5.788 1.00 0.00 H new ATOM 0 HG3 MET A 39 61.671 -19.630 7.129 1.00 0.00 H new ATOM 0 HE1 MET A 39 57.221 -18.699 7.088 1.00 0.00 H new ATOM 0 HE2 MET A 39 58.239 -17.241 7.001 1.00 0.00 H new ATOM 0 HE3 MET A 39 58.436 -18.537 5.798 1.00 0.00 H new ATOM 619 N THR A 40 63.146 -19.114 4.019 1.00 0.00 N ATOM 620 CA THR A 40 62.972 -19.772 2.733 1.00 0.00 C ATOM 621 C THR A 40 61.628 -20.492 2.693 1.00 0.00 C ATOM 622 O THR A 40 60.870 -20.373 1.731 1.00 0.00 O ATOM 623 CB THR A 40 64.098 -20.788 2.494 1.00 0.00 C ATOM 624 OG1 THR A 40 63.709 -22.055 3.008 1.00 0.00 O ATOM 625 CG2 THR A 40 65.376 -20.329 3.200 1.00 0.00 C ATOM 0 H THR A 40 63.928 -19.457 4.576 1.00 0.00 H new ATOM 0 HA THR A 40 63.003 -19.013 1.951 1.00 0.00 H new ATOM 0 HB THR A 40 64.286 -20.865 1.423 1.00 0.00 H new ATOM 0 HG1 THR A 40 64.426 -22.705 2.854 1.00 0.00 H new ATOM 0 HG21 THR A 40 66.169 -21.056 3.025 1.00 0.00 H new ATOM 0 HG22 THR A 40 65.680 -19.359 2.808 1.00 0.00 H new ATOM 0 HG23 THR A 40 65.190 -20.245 4.271 1.00 0.00 H new ATOM 633 N ASP A 41 61.353 -21.248 3.753 1.00 0.00 N ATOM 634 CA ASP A 41 60.103 -22.009 3.860 1.00 0.00 C ATOM 635 C ASP A 41 59.703 -22.135 5.325 1.00 0.00 C ATOM 636 O ASP A 41 58.711 -21.557 5.765 1.00 0.00 O ATOM 637 CB ASP A 41 60.309 -23.404 3.267 1.00 0.00 C ATOM 638 CG ASP A 41 58.992 -24.173 3.258 1.00 0.00 C ATOM 639 OD1 ASP A 41 58.027 -23.663 3.803 1.00 0.00 O ATOM 640 OD2 ASP A 41 58.970 -25.265 2.715 1.00 0.00 O ATOM 0 H ASP A 41 61.977 -21.352 4.553 1.00 0.00 H new ATOM 0 HA ASP A 41 59.314 -21.491 3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 41 60.697 -23.322 2.252 1.00 0.00 H new ATOM 0 HB3 ASP A 41 61.052 -23.948 3.849 1.00 0.00 H new ATOM 645 N LYS A 42 60.501 -22.897 6.073 1.00 0.00 N ATOM 646 CA LYS A 42 60.257 -23.109 7.505 1.00 0.00 C ATOM 647 C LYS A 42 61.574 -23.057 8.280 1.00 0.00 C ATOM 648 O LYS A 42 61.757 -23.783 9.257 1.00 0.00 O ATOM 649 CB LYS A 42 59.586 -24.468 7.727 1.00 0.00 C ATOM 650 CG LYS A 42 60.461 -25.563 7.113 1.00 0.00 C ATOM 651 CD LYS A 42 59.779 -26.922 7.271 1.00 0.00 C ATOM 652 CE LYS A 42 60.646 -27.998 6.615 1.00 0.00 C ATOM 653 NZ LYS A 42 59.990 -29.330 6.757 1.00 0.00 N ATOM 0 H LYS A 42 61.324 -23.380 5.713 1.00 0.00 H new ATOM 0 HA LYS A 42 59.599 -22.318 7.866 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.448 -24.650 8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 42 58.596 -24.478 7.271 1.00 0.00 H new ATOM 0 HG2 LYS A 42 60.634 -25.353 6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 42 61.436 -25.577 7.599 1.00 0.00 H new ATOM 0 HD2 LYS A 42 59.634 -27.149 8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 42 58.791 -26.903 6.810 1.00 0.00 H new ATOM 0 HE2 LYS A 42 60.794 -27.766 5.560 1.00 0.00 H new ATOM 0 HE3 LYS A 42 61.632 -28.017 7.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 60.583 -30.058 6.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 59.871 -29.552 7.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 59.059 -29.309 6.294 1.00 0.00 H new ATOM 667 N VAL A 43 62.491 -22.195 7.836 1.00 0.00 N ATOM 668 CA VAL A 43 63.794 -22.054 8.486 1.00 0.00 C ATOM 669 C VAL A 43 64.130 -20.579 8.663 1.00 0.00 C ATOM 670 O VAL A 43 63.907 -19.774 7.764 1.00 0.00 O ATOM 671 CB VAL A 43 64.877 -22.711 7.631 1.00 0.00 C ATOM 672 CG1 VAL A 43 66.221 -22.642 8.363 1.00 0.00 C ATOM 673 CG2 VAL A 43 64.508 -24.172 7.374 1.00 0.00 C ATOM 0 H VAL A 43 62.355 -21.585 7.030 1.00 0.00 H new ATOM 0 HA VAL A 43 63.752 -22.540 9.461 1.00 0.00 H new ATOM 0 HB VAL A 43 64.957 -22.185 6.680 1.00 0.00 H new ATOM 0 HG11 VAL A 43 66.992 -23.111 7.752 1.00 0.00 H new ATOM 0 HG12 VAL A 43 66.484 -21.600 8.543 1.00 0.00 H new ATOM 0 HG13 VAL A 43 66.144 -23.166 9.316 1.00 0.00 H new ATOM 0 HG21 VAL A 43 65.280 -24.641 6.764 1.00 0.00 H new ATOM 0 HG22 VAL A 43 64.427 -24.699 8.324 1.00 0.00 H new ATOM 0 HG23 VAL A 43 63.553 -24.219 6.850 1.00 0.00 H new ATOM 683 N THR A 44 64.664 -20.230 9.827 1.00 0.00 N ATOM 684 CA THR A 44 65.032 -18.839 10.115 1.00 0.00 C ATOM 685 C THR A 44 66.542 -18.666 10.005 1.00 0.00 C ATOM 686 O THR A 44 67.302 -19.284 10.750 1.00 0.00 O ATOM 687 CB THR A 44 64.586 -18.464 11.535 1.00 0.00 C ATOM 688 OG1 THR A 44 63.261 -18.931 11.748 1.00 0.00 O ATOM 689 CG2 THR A 44 64.623 -16.942 11.719 1.00 0.00 C ATOM 0 H THR A 44 64.853 -20.883 10.587 1.00 0.00 H new ATOM 0 HA THR A 44 64.537 -18.190 9.393 1.00 0.00 H new ATOM 0 HB THR A 44 65.264 -18.924 12.254 1.00 0.00 H new ATOM 0 HG1 THR A 44 62.973 -18.695 12.654 1.00 0.00 H new ATOM 0 HG21 THR A 44 64.304 -16.690 12.730 1.00 0.00 H new ATOM 0 HG22 THR A 44 65.639 -16.581 11.558 1.00 0.00 H new ATOM 0 HG23 THR A 44 63.952 -16.472 11.000 1.00 0.00 H new ATOM 697 N VAL A 45 66.973 -17.818 9.072 1.00 0.00 N ATOM 698 CA VAL A 45 68.404 -17.567 8.873 1.00 0.00 C ATOM 699 C VAL A 45 68.691 -16.072 8.744 1.00 0.00 C ATOM 700 O VAL A 45 67.813 -15.288 8.384 1.00 0.00 O ATOM 701 CB VAL A 45 68.890 -18.307 7.619 1.00 0.00 C ATOM 702 CG1 VAL A 45 68.336 -19.733 7.625 1.00 0.00 C ATOM 703 CG2 VAL A 45 68.396 -17.587 6.355 1.00 0.00 C ATOM 0 H VAL A 45 66.360 -17.296 8.446 1.00 0.00 H new ATOM 0 HA VAL A 45 68.941 -17.938 9.746 1.00 0.00 H new ATOM 0 HB VAL A 45 69.980 -18.327 7.621 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.680 -20.261 6.735 1.00 0.00 H new ATOM 0 HG12 VAL A 45 68.686 -20.256 8.515 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.247 -19.700 7.629 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.747 -18.121 5.472 1.00 0.00 H new ATOM 0 HG22 VAL A 45 67.306 -17.560 6.354 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.784 -16.568 6.341 1.00 0.00 H new ATOM 713 N LYS A 46 69.936 -15.692 9.038 1.00 0.00 N ATOM 714 CA LYS A 46 70.360 -14.295 8.952 1.00 0.00 C ATOM 715 C LYS A 46 71.112 -14.053 7.648 1.00 0.00 C ATOM 716 O LYS A 46 71.925 -14.874 7.227 1.00 0.00 O ATOM 717 CB LYS A 46 71.263 -13.951 10.143 1.00 0.00 C ATOM 718 CG LYS A 46 71.655 -12.472 10.080 1.00 0.00 C ATOM 719 CD LYS A 46 72.511 -12.116 11.297 1.00 0.00 C ATOM 720 CE LYS A 46 72.836 -10.622 11.275 1.00 0.00 C ATOM 721 NZ LYS A 46 73.721 -10.324 10.114 1.00 0.00 N ATOM 0 H LYS A 46 70.669 -16.335 9.338 1.00 0.00 H new ATOM 0 HA LYS A 46 69.477 -13.657 8.974 1.00 0.00 H new ATOM 0 HB2 LYS A 46 70.744 -14.161 11.078 1.00 0.00 H new ATOM 0 HB3 LYS A 46 72.156 -14.575 10.127 1.00 0.00 H new ATOM 0 HG2 LYS A 46 72.208 -12.271 9.162 1.00 0.00 H new ATOM 0 HG3 LYS A 46 70.761 -11.849 10.057 1.00 0.00 H new ATOM 0 HD2 LYS A 46 71.980 -12.370 12.215 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.432 -12.699 11.290 1.00 0.00 H new ATOM 0 HE2 LYS A 46 71.917 -10.040 11.204 1.00 0.00 H new ATOM 0 HE3 LYS A 46 73.327 -10.332 12.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 74.173 -9.397 10.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 74.454 -11.058 10.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 73.155 -10.308 9.241 1.00 0.00 H new ATOM 735 N ILE A 47 70.830 -12.915 7.011 1.00 0.00 N ATOM 736 CA ILE A 47 71.476 -12.557 5.745 1.00 0.00 C ATOM 737 C ILE A 47 71.960 -11.092 5.781 1.00 0.00 C ATOM 738 O ILE A 47 71.143 -10.177 5.851 1.00 0.00 O ATOM 739 CB ILE A 47 70.473 -12.742 4.598 1.00 0.00 C ATOM 740 CG1 ILE A 47 71.177 -12.472 3.264 1.00 0.00 C ATOM 741 CG2 ILE A 47 69.285 -11.779 4.768 1.00 0.00 C ATOM 742 CD1 ILE A 47 70.296 -12.958 2.113 1.00 0.00 C ATOM 0 H ILE A 47 70.159 -12.225 7.350 1.00 0.00 H new ATOM 0 HA ILE A 47 72.340 -13.204 5.590 1.00 0.00 H new ATOM 0 HB ILE A 47 70.095 -13.764 4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.378 -11.406 3.156 1.00 0.00 H new ATOM 0 HG13 ILE A 47 72.140 -12.982 3.239 1.00 0.00 H new ATOM 0 HG21 ILE A 47 68.581 -11.921 3.948 1.00 0.00 H new ATOM 0 HG22 ILE A 47 68.784 -11.982 5.715 1.00 0.00 H new ATOM 0 HG23 ILE A 47 69.646 -10.751 4.762 1.00 0.00 H new ATOM 0 HD11 ILE A 47 70.798 -12.766 1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 47 70.117 -14.028 2.218 1.00 0.00 H new ATOM 0 HD13 ILE A 47 69.344 -12.427 2.134 1.00 0.00 H new ATOM 754 N PRO A 48 73.255 -10.835 5.745 1.00 0.00 N ATOM 755 CA PRO A 48 73.787 -9.438 5.782 1.00 0.00 C ATOM 756 C PRO A 48 73.698 -8.746 4.418 1.00 0.00 C ATOM 757 O PRO A 48 73.909 -9.378 3.385 1.00 0.00 O ATOM 758 CB PRO A 48 75.241 -9.637 6.225 1.00 0.00 C ATOM 759 CG PRO A 48 75.628 -10.970 5.669 1.00 0.00 C ATOM 760 CD PRO A 48 74.350 -11.823 5.667 1.00 0.00 C ATOM 0 HA PRO A 48 73.219 -8.787 6.447 1.00 0.00 H new ATOM 0 HB2 PRO A 48 75.884 -8.846 5.840 1.00 0.00 H new ATOM 0 HB3 PRO A 48 75.330 -9.620 7.311 1.00 0.00 H new ATOM 0 HG2 PRO A 48 76.030 -10.869 4.661 1.00 0.00 H new ATOM 0 HG3 PRO A 48 76.405 -11.434 6.277 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.277 -12.428 4.764 1.00 0.00 H new ATOM 0 HD3 PRO A 48 74.328 -12.510 6.513 1.00 0.00 H new ATOM 768 N SER A 49 73.397 -7.443 4.430 1.00 0.00 N ATOM 769 CA SER A 49 73.292 -6.667 3.193 1.00 0.00 C ATOM 770 C SER A 49 74.619 -6.732 2.417 1.00 0.00 C ATOM 771 O SER A 49 75.614 -6.166 2.872 1.00 0.00 O ATOM 772 CB SER A 49 72.979 -5.211 3.533 1.00 0.00 C ATOM 773 OG SER A 49 73.931 -4.743 4.480 1.00 0.00 O ATOM 0 H SER A 49 73.223 -6.907 5.280 1.00 0.00 H new ATOM 0 HA SER A 49 72.495 -7.083 2.577 1.00 0.00 H new ATOM 0 HB2 SER A 49 73.011 -4.598 2.632 1.00 0.00 H new ATOM 0 HB3 SER A 49 71.971 -5.127 3.939 1.00 0.00 H new ATOM 0 HG SER A 49 74.818 -5.091 4.251 1.00 0.00 H new ATOM 779 N PRO A 50 74.692 -7.417 1.290 1.00 0.00 N ATOM 780 CA PRO A 50 75.980 -7.528 0.536 1.00 0.00 C ATOM 781 C PRO A 50 76.470 -6.213 -0.098 1.00 0.00 C ATOM 782 O PRO A 50 77.661 -6.077 -0.375 1.00 0.00 O ATOM 783 CB PRO A 50 75.689 -8.601 -0.527 1.00 0.00 C ATOM 784 CG PRO A 50 74.208 -8.565 -0.731 1.00 0.00 C ATOM 785 CD PRO A 50 73.593 -8.136 0.608 1.00 0.00 C ATOM 0 HA PRO A 50 76.799 -7.786 1.207 1.00 0.00 H new ATOM 0 HB2 PRO A 50 76.219 -8.388 -1.455 1.00 0.00 H new ATOM 0 HB3 PRO A 50 76.016 -9.585 -0.192 1.00 0.00 H new ATOM 0 HG2 PRO A 50 73.942 -7.864 -1.522 1.00 0.00 H new ATOM 0 HG3 PRO A 50 73.834 -9.543 -1.034 1.00 0.00 H new ATOM 0 HD2 PRO A 50 72.725 -7.493 0.461 1.00 0.00 H new ATOM 0 HD3 PRO A 50 73.258 -8.996 1.188 1.00 0.00 H new ATOM 793 N VAL A 51 75.567 -5.255 -0.350 1.00 0.00 N ATOM 794 CA VAL A 51 75.966 -3.983 -0.977 1.00 0.00 C ATOM 795 C VAL A 51 75.286 -2.785 -0.294 1.00 0.00 C ATOM 796 O VAL A 51 74.063 -2.765 -0.150 1.00 0.00 O ATOM 797 CB VAL A 51 75.580 -4.035 -2.465 1.00 0.00 C ATOM 798 CG1 VAL A 51 76.354 -2.979 -3.265 1.00 0.00 C ATOM 799 CG2 VAL A 51 75.912 -5.426 -3.016 1.00 0.00 C ATOM 0 H VAL A 51 74.573 -5.331 -0.135 1.00 0.00 H new ATOM 0 HA VAL A 51 77.042 -3.851 -0.868 1.00 0.00 H new ATOM 0 HB VAL A 51 74.513 -3.831 -2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 51 76.065 -3.034 -4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 51 76.123 -1.987 -2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 51 77.424 -3.165 -3.173 1.00 0.00 H new ATOM 0 HG21 VAL A 51 75.642 -5.473 -4.071 1.00 0.00 H new ATOM 0 HG22 VAL A 51 76.980 -5.616 -2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 51 75.351 -6.180 -2.464 1.00 0.00 H new ATOM 809 N ARG A 52 76.078 -1.784 0.125 1.00 0.00 N ATOM 810 CA ARG A 52 75.527 -0.595 0.784 1.00 0.00 C ATOM 811 C ARG A 52 75.251 0.513 -0.234 1.00 0.00 C ATOM 812 O ARG A 52 75.948 0.627 -1.243 1.00 0.00 O ATOM 813 CB ARG A 52 76.523 -0.085 1.834 1.00 0.00 C ATOM 814 CG ARG A 52 77.860 0.245 1.161 1.00 0.00 C ATOM 815 CD ARG A 52 78.829 0.807 2.203 1.00 0.00 C ATOM 816 NE ARG A 52 80.132 1.072 1.592 1.00 0.00 N ATOM 817 CZ ARG A 52 80.390 2.236 0.998 1.00 0.00 C ATOM 818 NH1 ARG A 52 79.458 3.145 0.917 1.00 0.00 N ATOM 819 NH2 ARG A 52 81.571 2.471 0.495 1.00 0.00 N ATOM 0 H ARG A 52 77.092 -1.776 0.019 1.00 0.00 H new ATOM 0 HA ARG A 52 74.587 -0.869 1.263 1.00 0.00 H new ATOM 0 HB2 ARG A 52 76.124 0.802 2.327 1.00 0.00 H new ATOM 0 HB3 ARG A 52 76.670 -0.840 2.606 1.00 0.00 H new ATOM 0 HG2 ARG A 52 78.280 -0.651 0.703 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.708 0.970 0.361 1.00 0.00 H new ATOM 0 HD2 ARG A 52 78.425 1.726 2.627 1.00 0.00 H new ATOM 0 HD3 ARG A 52 78.942 0.099 3.024 1.00 0.00 H new ATOM 0 HE ARG A 52 80.855 0.353 1.621 1.00 0.00 H new ATOM 0 HH11 ARG A 52 78.534 2.964 1.308 1.00 0.00 H new ATOM 0 HH12 ARG A 52 79.654 4.037 0.463 1.00 0.00 H new ATOM 0 HH21 ARG A 52 82.302 1.762 0.556 1.00 0.00 H new ATOM 0 HH22 ARG A 52 81.764 3.364 0.041 1.00 0.00 H new ATOM 833 N GLY A 53 74.233 1.333 0.030 1.00 0.00 N ATOM 834 CA GLY A 53 73.894 2.428 -0.876 1.00 0.00 C ATOM 835 C GLY A 53 72.681 3.211 -0.371 1.00 0.00 C ATOM 836 O GLY A 53 72.640 3.606 0.795 1.00 0.00 O ATOM 0 H GLY A 53 73.636 1.261 0.854 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.747 3.099 -0.975 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.685 2.030 -1.869 1.00 0.00 H new ATOM 840 N LYS A 54 71.705 3.455 -1.253 1.00 0.00 N ATOM 841 CA LYS A 54 70.503 4.214 -0.881 1.00 0.00 C ATOM 842 C LYS A 54 69.245 3.418 -1.216 1.00 0.00 C ATOM 843 O LYS A 54 69.221 2.659 -2.184 1.00 0.00 O ATOM 844 CB LYS A 54 70.488 5.549 -1.637 1.00 0.00 C ATOM 845 CG LYS A 54 71.650 6.423 -1.156 1.00 0.00 C ATOM 846 CD LYS A 54 71.633 7.749 -1.919 1.00 0.00 C ATOM 847 CE LYS A 54 72.786 8.628 -1.433 1.00 0.00 C ATOM 848 NZ LYS A 54 72.799 9.910 -2.193 1.00 0.00 N ATOM 0 H LYS A 54 71.722 3.141 -2.223 1.00 0.00 H new ATOM 0 HA LYS A 54 70.521 4.401 0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 54 70.572 5.373 -2.709 1.00 0.00 H new ATOM 0 HB3 LYS A 54 69.541 6.062 -1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 54 71.564 6.605 -0.085 1.00 0.00 H new ATOM 0 HG3 LYS A 54 72.598 5.909 -1.317 1.00 0.00 H new ATOM 0 HD2 LYS A 54 71.726 7.567 -2.990 1.00 0.00 H new ATOM 0 HD3 LYS A 54 70.682 8.259 -1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 54 72.679 8.828 -0.367 1.00 0.00 H new ATOM 0 HE3 LYS A 54 73.734 8.106 -1.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 73.585 10.504 -1.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 72.922 9.712 -3.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 71.899 10.411 -2.045 1.00 0.00 H new ATOM 862 N ILE A 55 68.203 3.584 -0.400 1.00 0.00 N ATOM 863 CA ILE A 55 66.944 2.864 -0.604 1.00 0.00 C ATOM 864 C ILE A 55 65.891 3.802 -1.214 1.00 0.00 C ATOM 865 O ILE A 55 65.552 4.826 -0.623 1.00 0.00 O ATOM 866 CB ILE A 55 66.432 2.355 0.752 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.599 1.829 1.604 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.416 1.229 0.545 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.391 0.752 0.855 1.00 0.00 C ATOM 0 H ILE A 55 68.205 4.209 0.406 1.00 0.00 H new ATOM 0 HA ILE A 55 67.116 2.028 -1.282 1.00 0.00 H new ATOM 0 HB ILE A 55 65.954 3.187 1.269 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.261 2.654 1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.215 1.418 2.538 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.061 0.877 1.513 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.573 1.602 -0.037 1.00 0.00 H new ATOM 0 HG23 ILE A 55 65.890 0.405 0.011 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.209 0.400 1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 55 67.733 -0.083 0.615 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.795 1.172 -0.066 1.00 0.00 H new ATOM 881 N VAL A 56 65.388 3.461 -2.403 1.00 0.00 N ATOM 882 CA VAL A 56 64.389 4.310 -3.069 1.00 0.00 C ATOM 883 C VAL A 56 62.982 4.103 -2.488 1.00 0.00 C ATOM 884 O VAL A 56 62.319 5.072 -2.119 1.00 0.00 O ATOM 885 CB VAL A 56 64.382 4.030 -4.590 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.087 4.554 -5.233 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.571 4.737 -5.245 1.00 0.00 C ATOM 0 H VAL A 56 65.648 2.620 -2.919 1.00 0.00 H new ATOM 0 HA VAL A 56 64.669 5.348 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 56 64.448 2.952 -4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.102 4.347 -6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.229 4.058 -4.780 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.010 5.629 -5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 56 65.566 4.540 -6.317 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.495 5.811 -5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.499 4.365 -4.812 1.00 0.00 H new ATOM 897 N LYS A 57 62.522 2.854 -2.420 1.00 0.00 N ATOM 898 CA LYS A 57 61.182 2.588 -1.893 1.00 0.00 C ATOM 899 C LYS A 57 61.014 1.115 -1.533 1.00 0.00 C ATOM 900 O LYS A 57 61.746 0.260 -2.025 1.00 0.00 O ATOM 901 CB LYS A 57 60.127 3.006 -2.926 1.00 0.00 C ATOM 902 CG LYS A 57 58.722 2.861 -2.334 1.00 0.00 C ATOM 903 CD LYS A 57 57.688 3.396 -3.326 1.00 0.00 C ATOM 904 CE LYS A 57 56.289 3.260 -2.720 1.00 0.00 C ATOM 905 NZ LYS A 57 55.273 3.770 -3.683 1.00 0.00 N ATOM 0 H LYS A 57 63.042 2.028 -2.715 1.00 0.00 H new ATOM 0 HA LYS A 57 61.048 3.172 -0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.296 4.038 -3.232 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.218 2.389 -3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 57 58.518 1.814 -2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 57 58.655 3.408 -1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 57 57.896 4.440 -3.558 1.00 0.00 H new ATOM 0 HD3 LYS A 57 57.746 2.843 -4.264 1.00 0.00 H new ATOM 0 HE2 LYS A 57 56.086 2.216 -2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 57 56.231 3.818 -1.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 54.324 3.676 -3.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 55.463 4.771 -3.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 55.322 3.219 -4.564 1.00 0.00 H new ATOM 919 N ILE A 58 60.050 0.827 -0.659 1.00 0.00 N ATOM 920 CA ILE A 58 59.798 -0.543 -0.222 1.00 0.00 C ATOM 921 C ILE A 58 58.802 -1.248 -1.150 1.00 0.00 C ATOM 922 O ILE A 58 57.654 -0.828 -1.285 1.00 0.00 O ATOM 923 CB ILE A 58 59.275 -0.517 1.230 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.532 -1.874 1.893 1.00 0.00 C ATOM 925 CG2 ILE A 58 57.774 -0.198 1.259 1.00 0.00 C ATOM 926 CD1 ILE A 58 58.809 -1.961 3.244 1.00 0.00 C ATOM 0 H ILE A 58 59.433 1.523 -0.241 1.00 0.00 H new ATOM 0 HA ILE A 58 60.729 -1.108 -0.263 1.00 0.00 H new ATOM 0 HB ILE A 58 59.804 0.262 1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.189 -2.675 1.239 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.603 -2.017 2.038 1.00 0.00 H new ATOM 0 HG21 ILE A 58 57.425 -0.184 2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 58 57.600 0.777 0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.229 -0.960 0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 58 59.004 -2.932 3.699 1.00 0.00 H new ATOM 0 HD12 ILE A 58 59.172 -1.172 3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 58 57.737 -1.841 3.091 1.00 0.00 H new ATOM 938 N LEU A 59 59.252 -2.329 -1.794 1.00 0.00 N ATOM 939 CA LEU A 59 58.383 -3.088 -2.705 1.00 0.00 C ATOM 940 C LEU A 59 57.767 -4.300 -2.000 1.00 0.00 C ATOM 941 O LEU A 59 56.781 -4.864 -2.474 1.00 0.00 O ATOM 942 CB LEU A 59 59.176 -3.559 -3.929 1.00 0.00 C ATOM 943 CG LEU A 59 59.593 -2.356 -4.786 1.00 0.00 C ATOM 944 CD1 LEU A 59 60.535 -2.836 -5.897 1.00 0.00 C ATOM 945 CD2 LEU A 59 58.351 -1.676 -5.405 1.00 0.00 C ATOM 0 H LEU A 59 60.199 -2.696 -1.705 1.00 0.00 H new ATOM 0 HA LEU A 59 57.579 -2.425 -3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 59 60.060 -4.110 -3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 59 58.570 -4.245 -4.522 1.00 0.00 H new ATOM 0 HG LEU A 59 60.105 -1.627 -4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 59 60.836 -1.987 -6.511 1.00 0.00 H new ATOM 0 HD12 LEU A 59 61.419 -3.294 -5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 59 60.021 -3.569 -6.519 1.00 0.00 H new ATOM 0 HD21 LEU A 59 58.665 -0.825 -6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 59 57.820 -2.391 -6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 59 57.690 -1.332 -4.609 1.00 0.00 H new ATOM 957 N TYR A 60 58.352 -4.702 -0.868 1.00 0.00 N ATOM 958 CA TYR A 60 57.852 -5.858 -0.101 1.00 0.00 C ATOM 959 C TYR A 60 57.293 -5.406 1.251 1.00 0.00 C ATOM 960 O TYR A 60 57.777 -4.445 1.848 1.00 0.00 O ATOM 961 CB TYR A 60 58.996 -6.880 0.110 1.00 0.00 C ATOM 962 CG TYR A 60 59.003 -7.918 -1.012 1.00 0.00 C ATOM 963 CD1 TYR A 60 59.013 -7.515 -2.355 1.00 0.00 C ATOM 964 CD2 TYR A 60 58.988 -9.295 -0.706 1.00 0.00 C ATOM 965 CE1 TYR A 60 59.009 -8.468 -3.380 1.00 0.00 C ATOM 966 CE2 TYR A 60 58.983 -10.242 -1.736 1.00 0.00 C ATOM 967 CZ TYR A 60 58.993 -9.830 -3.071 1.00 0.00 C ATOM 968 OH TYR A 60 58.986 -10.768 -4.082 1.00 0.00 O ATOM 0 H TYR A 60 59.170 -4.249 -0.460 1.00 0.00 H new ATOM 0 HA TYR A 60 57.048 -6.331 -0.664 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.954 -6.361 0.139 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.874 -7.377 1.072 1.00 0.00 H new ATOM 0 HD1 TYR A 60 59.024 -6.463 -2.600 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.980 -9.619 0.324 1.00 0.00 H new ATOM 0 HE1 TYR A 60 59.018 -8.150 -4.412 1.00 0.00 H new ATOM 0 HE2 TYR A 60 58.971 -11.295 -1.498 1.00 0.00 H new ATOM 0 HH TYR A 60 59.214 -11.647 -3.714 1.00 0.00 H new ATOM 978 N ARG A 61 56.254 -6.109 1.720 1.00 0.00 N ATOM 979 CA ARG A 61 55.612 -5.785 3.000 1.00 0.00 C ATOM 980 C ARG A 61 55.619 -7.014 3.909 1.00 0.00 C ATOM 981 O ARG A 61 55.801 -8.139 3.445 1.00 0.00 O ATOM 982 CB ARG A 61 54.174 -5.319 2.753 1.00 0.00 C ATOM 983 CG ARG A 61 53.532 -4.864 4.068 1.00 0.00 C ATOM 984 CD ARG A 61 52.170 -4.234 3.774 1.00 0.00 C ATOM 985 NE ARG A 61 52.339 -3.017 2.988 1.00 0.00 N ATOM 986 CZ ARG A 61 52.610 -1.852 3.568 1.00 0.00 C ATOM 987 NH1 ARG A 61 52.722 -1.777 4.866 1.00 0.00 N ATOM 988 NH2 ARG A 61 52.763 -0.779 2.839 1.00 0.00 N ATOM 0 H ARG A 61 55.841 -6.904 1.233 1.00 0.00 H new ATOM 0 HA ARG A 61 56.165 -4.983 3.488 1.00 0.00 H new ATOM 0 HB2 ARG A 61 54.168 -4.500 2.034 1.00 0.00 H new ATOM 0 HB3 ARG A 61 53.591 -6.130 2.317 1.00 0.00 H new ATOM 0 HG2 ARG A 61 53.415 -5.713 4.742 1.00 0.00 H new ATOM 0 HG3 ARG A 61 54.178 -4.144 4.571 1.00 0.00 H new ATOM 0 HD2 ARG A 61 51.543 -4.942 3.232 1.00 0.00 H new ATOM 0 HD3 ARG A 61 51.658 -4.004 4.708 1.00 0.00 H new ATOM 0 HE ARG A 61 52.247 -3.061 1.973 1.00 0.00 H new ATOM 0 HH11 ARG A 61 52.602 -2.613 5.437 1.00 0.00 H new ATOM 0 HH12 ARG A 61 52.930 -0.882 5.309 1.00 0.00 H new ATOM 0 HH21 ARG A 61 52.675 -0.835 1.824 1.00 0.00 H new ATOM 0 HH22 ARG A 61 52.971 0.115 3.284 1.00 0.00 H new ATOM 1002 N GLU A 62 55.442 -6.789 5.206 1.00 0.00 N ATOM 1003 CA GLU A 62 55.449 -7.880 6.177 1.00 0.00 C ATOM 1004 C GLU A 62 54.344 -8.898 5.909 1.00 0.00 C ATOM 1005 O GLU A 62 53.205 -8.534 5.616 1.00 0.00 O ATOM 1006 CB GLU A 62 55.260 -7.330 7.595 1.00 0.00 C ATOM 1007 CG GLU A 62 56.478 -6.504 8.002 1.00 0.00 C ATOM 1008 CD GLU A 62 56.282 -5.936 9.403 1.00 0.00 C ATOM 1009 OE1 GLU A 62 55.207 -6.118 9.953 1.00 0.00 O ATOM 1010 OE2 GLU A 62 57.214 -5.331 9.910 1.00 0.00 O ATOM 0 H GLU A 62 55.292 -5.864 5.610 1.00 0.00 H new ATOM 0 HA GLU A 62 56.414 -8.377 6.081 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.362 -6.714 7.638 1.00 0.00 H new ATOM 0 HB3 GLU A 62 55.117 -8.152 8.297 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.374 -7.125 7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 62 56.631 -5.693 7.290 1.00 0.00 H new ATOM 1017 N GLY A 63 54.693 -10.179 6.041 1.00 0.00 N ATOM 1018 CA GLY A 63 53.718 -11.256 5.837 1.00 0.00 C ATOM 1019 C GLY A 63 53.527 -11.565 4.357 1.00 0.00 C ATOM 1020 O GLY A 63 52.672 -12.370 3.990 1.00 0.00 O ATOM 0 H GLY A 63 55.631 -10.495 6.285 1.00 0.00 H new ATOM 0 HA2 GLY A 63 54.052 -12.154 6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 63 52.762 -10.971 6.276 1.00 0.00 H new ATOM 1024 N GLN A 64 54.320 -10.922 3.510 1.00 0.00 N ATOM 1025 CA GLN A 64 54.206 -11.137 2.073 1.00 0.00 C ATOM 1026 C GLN A 64 54.820 -12.474 1.665 1.00 0.00 C ATOM 1027 O GLN A 64 55.963 -12.781 2.004 1.00 0.00 O ATOM 1028 CB GLN A 64 54.905 -10.001 1.321 1.00 0.00 C ATOM 1029 CG GLN A 64 54.620 -10.102 -0.182 1.00 0.00 C ATOM 1030 CD GLN A 64 53.141 -9.845 -0.452 1.00 0.00 C ATOM 1031 OE1 GLN A 64 52.518 -9.026 0.225 1.00 0.00 O ATOM 1032 NE2 GLN A 64 52.539 -10.496 -1.410 1.00 0.00 N ATOM 0 H GLN A 64 55.040 -10.255 3.788 1.00 0.00 H new ATOM 0 HA GLN A 64 53.147 -11.152 1.816 1.00 0.00 H new ATOM 0 HB2 GLN A 64 54.560 -9.039 1.699 1.00 0.00 H new ATOM 0 HB3 GLN A 64 55.980 -10.046 1.498 1.00 0.00 H new ATOM 0 HG2 GLN A 64 55.228 -9.379 -0.725 1.00 0.00 H new ATOM 0 HG3 GLN A 64 54.898 -11.090 -0.547 1.00 0.00 H new ATOM 0 HE21 GLN A 64 53.057 -11.174 -1.970 1.00 0.00 H new ATOM 0 HE22 GLN A 64 51.551 -10.327 -1.599 1.00 0.00 H new ATOM 1041 N VAL A 65 54.045 -13.254 0.916 1.00 0.00 N ATOM 1042 CA VAL A 65 54.490 -14.560 0.419 1.00 0.00 C ATOM 1043 C VAL A 65 54.457 -14.542 -1.107 1.00 0.00 C ATOM 1044 O VAL A 65 53.443 -14.179 -1.699 1.00 0.00 O ATOM 1045 CB VAL A 65 53.549 -15.662 0.915 1.00 0.00 C ATOM 1046 CG1 VAL A 65 54.008 -17.020 0.372 1.00 0.00 C ATOM 1047 CG2 VAL A 65 53.524 -15.706 2.450 1.00 0.00 C ATOM 0 H VAL A 65 53.097 -13.004 0.636 1.00 0.00 H new ATOM 0 HA VAL A 65 55.499 -14.756 0.781 1.00 0.00 H new ATOM 0 HB VAL A 65 52.544 -15.443 0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 65 53.335 -17.800 0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 65 53.995 -16.999 -0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 65 55.020 -17.227 0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 65 52.849 -16.496 2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.528 -15.906 2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 65 53.177 -14.747 2.836 1.00 0.00 H new ATOM 1057 N VAL A 66 55.569 -14.911 -1.743 1.00 0.00 N ATOM 1058 CA VAL A 66 55.634 -14.900 -3.209 1.00 0.00 C ATOM 1059 C VAL A 66 56.603 -15.973 -3.739 1.00 0.00 C ATOM 1060 O VAL A 66 57.533 -16.377 -3.043 1.00 0.00 O ATOM 1061 CB VAL A 66 56.082 -13.504 -3.697 1.00 0.00 C ATOM 1062 CG1 VAL A 66 54.866 -12.641 -4.070 1.00 0.00 C ATOM 1063 CG2 VAL A 66 56.855 -12.795 -2.584 1.00 0.00 C ATOM 0 H VAL A 66 56.424 -15.217 -1.279 1.00 0.00 H new ATOM 0 HA VAL A 66 54.640 -15.126 -3.594 1.00 0.00 H new ATOM 0 HB VAL A 66 56.713 -13.637 -4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 66 55.205 -11.663 -4.411 1.00 0.00 H new ATOM 0 HG12 VAL A 66 54.305 -13.128 -4.867 1.00 0.00 H new ATOM 0 HG13 VAL A 66 54.225 -12.519 -3.197 1.00 0.00 H new ATOM 0 HG21 VAL A 66 57.170 -11.811 -2.930 1.00 0.00 H new ATOM 0 HG22 VAL A 66 56.214 -12.684 -1.709 1.00 0.00 H new ATOM 0 HG23 VAL A 66 57.733 -13.384 -2.318 1.00 0.00 H new ATOM 1073 N PRO A 67 56.402 -16.425 -4.961 1.00 0.00 N ATOM 1074 CA PRO A 67 57.280 -17.453 -5.600 1.00 0.00 C ATOM 1075 C PRO A 67 58.670 -16.900 -5.938 1.00 0.00 C ATOM 1076 O PRO A 67 58.809 -15.733 -6.303 1.00 0.00 O ATOM 1077 CB PRO A 67 56.510 -17.843 -6.872 1.00 0.00 C ATOM 1078 CG PRO A 67 55.691 -16.637 -7.210 1.00 0.00 C ATOM 1079 CD PRO A 67 55.312 -15.997 -5.872 1.00 0.00 C ATOM 0 HA PRO A 67 57.473 -18.298 -4.940 1.00 0.00 H new ATOM 0 HB2 PRO A 67 57.191 -18.098 -7.684 1.00 0.00 H new ATOM 0 HB3 PRO A 67 55.878 -18.714 -6.700 1.00 0.00 H new ATOM 0 HG2 PRO A 67 56.258 -15.941 -7.829 1.00 0.00 H new ATOM 0 HG3 PRO A 67 54.802 -16.915 -7.776 1.00 0.00 H new ATOM 0 HD2 PRO A 67 55.256 -14.911 -5.948 1.00 0.00 H new ATOM 0 HD3 PRO A 67 54.339 -16.343 -5.523 1.00 0.00 H new ATOM 1087 N VAL A 68 59.685 -17.754 -5.827 1.00 0.00 N ATOM 1088 CA VAL A 68 61.058 -17.344 -6.136 1.00 0.00 C ATOM 1089 C VAL A 68 61.139 -16.777 -7.552 1.00 0.00 C ATOM 1090 O VAL A 68 60.661 -17.384 -8.510 1.00 0.00 O ATOM 1091 CB VAL A 68 62.013 -18.555 -5.989 1.00 0.00 C ATOM 1092 CG1 VAL A 68 63.351 -18.288 -6.697 1.00 0.00 C ATOM 1093 CG2 VAL A 68 62.294 -18.815 -4.502 1.00 0.00 C ATOM 0 H VAL A 68 59.588 -18.725 -5.529 1.00 0.00 H new ATOM 0 HA VAL A 68 61.359 -16.566 -5.435 1.00 0.00 H new ATOM 0 HB VAL A 68 61.532 -19.421 -6.444 1.00 0.00 H new ATOM 0 HG11 VAL A 68 64.004 -19.153 -6.579 1.00 0.00 H new ATOM 0 HG12 VAL A 68 63.172 -18.110 -7.757 1.00 0.00 H new ATOM 0 HG13 VAL A 68 63.827 -17.412 -6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 68 62.966 -19.667 -4.402 1.00 0.00 H new ATOM 0 HG22 VAL A 68 62.758 -17.933 -4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 68 61.358 -19.029 -3.987 1.00 0.00 H new ATOM 1103 N GLY A 69 61.756 -15.600 -7.674 1.00 0.00 N ATOM 1104 CA GLY A 69 61.911 -14.940 -8.975 1.00 0.00 C ATOM 1105 C GLY A 69 61.237 -13.572 -8.977 1.00 0.00 C ATOM 1106 O GLY A 69 60.382 -13.298 -9.820 1.00 0.00 O ATOM 0 H GLY A 69 62.156 -15.084 -6.890 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.970 -14.828 -9.206 1.00 0.00 H new ATOM 0 HA3 GLY A 69 61.478 -15.564 -9.757 1.00 0.00 H new ATOM 1110 N SER A 70 61.616 -12.714 -8.029 1.00 0.00 N ATOM 1111 CA SER A 70 61.022 -11.379 -7.943 1.00 0.00 C ATOM 1112 C SER A 70 62.016 -10.372 -7.371 1.00 0.00 C ATOM 1113 O SER A 70 63.108 -10.733 -6.933 1.00 0.00 O ATOM 1114 CB SER A 70 59.782 -11.419 -7.056 1.00 0.00 C ATOM 1115 OG SER A 70 58.949 -12.498 -7.462 1.00 0.00 O ATOM 0 H SER A 70 62.321 -12.915 -7.320 1.00 0.00 H new ATOM 0 HA SER A 70 60.748 -11.066 -8.951 1.00 0.00 H new ATOM 0 HB2 SER A 70 60.071 -11.540 -6.012 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.238 -10.477 -7.129 1.00 0.00 H new ATOM 0 HG SER A 70 58.152 -12.528 -6.893 1.00 0.00 H new ATOM 1121 N THR A 71 61.619 -9.099 -7.384 1.00 0.00 N ATOM 1122 CA THR A 71 62.462 -8.015 -6.872 1.00 0.00 C ATOM 1123 C THR A 71 61.983 -7.594 -5.483 1.00 0.00 C ATOM 1124 O THR A 71 60.878 -7.074 -5.331 1.00 0.00 O ATOM 1125 CB THR A 71 62.385 -6.834 -7.858 1.00 0.00 C ATOM 1126 OG1 THR A 71 63.274 -7.073 -8.939 1.00 0.00 O ATOM 1127 CG2 THR A 71 62.759 -5.511 -7.178 1.00 0.00 C ATOM 0 H THR A 71 60.716 -8.791 -7.745 1.00 0.00 H new ATOM 0 HA THR A 71 63.496 -8.348 -6.783 1.00 0.00 H new ATOM 0 HB THR A 71 61.359 -6.753 -8.217 1.00 0.00 H new ATOM 0 HG1 THR A 71 63.229 -6.326 -9.571 1.00 0.00 H new ATOM 0 HG21 THR A 71 62.694 -4.699 -7.902 1.00 0.00 H new ATOM 0 HG22 THR A 71 62.072 -5.318 -6.354 1.00 0.00 H new ATOM 0 HG23 THR A 71 63.777 -5.574 -6.794 1.00 0.00 H new ATOM 1135 N LEU A 72 62.823 -7.827 -4.476 1.00 0.00 N ATOM 1136 CA LEU A 72 62.477 -7.473 -3.099 1.00 0.00 C ATOM 1137 C LEU A 72 62.401 -5.966 -2.902 1.00 0.00 C ATOM 1138 O LEU A 72 61.467 -5.454 -2.286 1.00 0.00 O ATOM 1139 CB LEU A 72 63.540 -8.021 -2.145 1.00 0.00 C ATOM 1140 CG LEU A 72 63.531 -9.555 -2.150 1.00 0.00 C ATOM 1141 CD1 LEU A 72 64.680 -10.052 -1.266 1.00 0.00 C ATOM 1142 CD2 LEU A 72 62.183 -10.087 -1.629 1.00 0.00 C ATOM 0 H LEU A 72 63.742 -8.256 -4.585 1.00 0.00 H new ATOM 0 HA LEU A 72 61.499 -7.906 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 72 64.524 -7.657 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 72 63.354 -7.654 -1.136 1.00 0.00 H new ATOM 0 HG LEU A 72 63.664 -9.921 -3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 72 64.688 -11.142 -1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 72 65.628 -9.685 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 72 64.543 -9.683 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 72 62.194 -11.177 -1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 72 62.022 -9.735 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 72 61.378 -9.726 -2.269 1.00 0.00 H new ATOM 1154 N LEU A 73 63.416 -5.272 -3.394 1.00 0.00 N ATOM 1155 CA LEU A 73 63.504 -3.827 -3.240 1.00 0.00 C ATOM 1156 C LEU A 73 64.447 -3.274 -4.317 1.00 0.00 C ATOM 1157 O LEU A 73 65.242 -4.023 -4.885 1.00 0.00 O ATOM 1158 CB LEU A 73 63.976 -3.545 -1.778 1.00 0.00 C ATOM 1159 CG LEU A 73 65.045 -2.439 -1.660 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.409 -1.049 -1.801 1.00 0.00 C ATOM 1161 CD2 LEU A 73 65.718 -2.545 -0.281 1.00 0.00 C ATOM 0 H LEU A 73 64.194 -5.688 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 73 62.548 -3.323 -3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 73 63.111 -3.264 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 73 64.374 -4.466 -1.353 1.00 0.00 H new ATOM 0 HG LEU A 73 65.778 -2.570 -2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 73 65.182 -0.285 -1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.925 -0.967 -2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.668 -0.906 -1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.476 -1.768 -0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 73 64.969 -2.419 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 73 66.187 -3.524 -0.179 1.00 0.00 H new ATOM 1173 N GLN A 74 64.339 -1.977 -4.618 1.00 0.00 N ATOM 1174 CA GLN A 74 65.184 -1.367 -5.661 1.00 0.00 C ATOM 1175 C GLN A 74 66.300 -0.523 -5.051 1.00 0.00 C ATOM 1176 O GLN A 74 66.050 0.342 -4.212 1.00 0.00 O ATOM 1177 CB GLN A 74 64.317 -0.486 -6.562 1.00 0.00 C ATOM 1178 CG GLN A 74 65.151 0.036 -7.735 1.00 0.00 C ATOM 1179 CD GLN A 74 64.280 0.877 -8.660 1.00 0.00 C ATOM 1180 OE1 GLN A 74 63.747 1.909 -8.252 1.00 0.00 O ATOM 1181 NE2 GLN A 74 64.103 0.493 -9.895 1.00 0.00 N ATOM 0 H GLN A 74 63.688 -1.334 -4.166 1.00 0.00 H new ATOM 0 HA GLN A 74 65.642 -2.168 -6.241 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.466 -1.057 -6.934 1.00 0.00 H new ATOM 0 HB3 GLN A 74 63.914 0.350 -5.990 1.00 0.00 H new ATOM 0 HG2 GLN A 74 65.983 0.634 -7.363 1.00 0.00 H new ATOM 0 HG3 GLN A 74 65.581 -0.800 -8.287 1.00 0.00 H new ATOM 0 HE21 GLN A 74 64.545 -0.362 -10.232 1.00 0.00 H new ATOM 0 HE22 GLN A 74 63.522 1.048 -10.523 1.00 0.00 H new ATOM 1190 N ILE A 75 67.542 -0.787 -5.476 1.00 0.00 N ATOM 1191 CA ILE A 75 68.703 -0.049 -4.958 1.00 0.00 C ATOM 1192 C ILE A 75 69.570 0.503 -6.084 1.00 0.00 C ATOM 1193 O ILE A 75 69.978 -0.224 -6.989 1.00 0.00 O ATOM 1194 CB ILE A 75 69.538 -0.982 -4.074 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.721 -1.392 -2.850 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.817 -0.288 -3.601 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.410 -2.562 -2.145 1.00 0.00 C ATOM 0 H ILE A 75 67.769 -1.499 -6.170 1.00 0.00 H new ATOM 0 HA ILE A 75 68.337 0.797 -4.377 1.00 0.00 H new ATOM 0 HB ILE A 75 69.807 -1.859 -4.663 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.622 -0.549 -2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.713 -1.678 -3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.392 -0.971 -2.976 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.414 0.002 -4.465 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.557 0.600 -3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.827 -2.855 -1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.486 -3.406 -2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.409 -2.260 -1.830 1.00 0.00 H new ATOM 1209 N ASP A 76 69.859 1.799 -5.996 1.00 0.00 N ATOM 1210 CA ASP A 76 70.703 2.479 -6.991 1.00 0.00 C ATOM 1211 C ASP A 76 72.126 2.632 -6.464 1.00 0.00 C ATOM 1212 O ASP A 76 72.355 3.276 -5.440 1.00 0.00 O ATOM 1213 CB ASP A 76 70.133 3.859 -7.318 1.00 0.00 C ATOM 1214 CG ASP A 76 70.842 4.442 -8.535 1.00 0.00 C ATOM 1215 OD1 ASP A 76 71.885 3.924 -8.895 1.00 0.00 O ATOM 1216 OD2 ASP A 76 70.333 5.404 -9.085 1.00 0.00 O ATOM 0 H ASP A 76 69.524 2.405 -5.247 1.00 0.00 H new ATOM 0 HA ASP A 76 70.718 1.873 -7.897 1.00 0.00 H new ATOM 0 HB2 ASP A 76 69.063 3.783 -7.512 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.255 4.524 -6.463 1.00 0.00 H new ATOM 1221 N THR A 77 73.084 2.034 -7.166 1.00 0.00 N ATOM 1222 CA THR A 77 74.480 2.112 -6.751 1.00 0.00 C ATOM 1223 C THR A 77 75.059 3.490 -7.053 1.00 0.00 C ATOM 1224 O THR A 77 75.728 4.031 -6.189 1.00 0.00 O ATOM 1225 CB THR A 77 75.301 1.039 -7.472 1.00 0.00 C ATOM 1226 OG1 THR A 77 74.687 -0.228 -7.279 1.00 0.00 O ATOM 1227 CG2 THR A 77 76.722 1.014 -6.902 1.00 0.00 C ATOM 1228 OXT THR A 77 74.828 3.984 -8.145 1.00 0.00 O ATOM 0 H THR A 77 72.922 1.495 -8.017 1.00 0.00 H new ATOM 0 HA THR A 77 74.527 1.943 -5.675 1.00 0.00 H new ATOM 0 HB THR A 77 75.345 1.265 -8.538 1.00 0.00 H new ATOM 0 HG1 THR A 77 75.208 -0.918 -7.740 1.00 0.00 H new ATOM 0 HG21 THR A 77 77.306 0.250 -7.415 1.00 0.00 H new ATOM 0 HG22 THR A 77 77.190 1.988 -7.048 1.00 0.00 H new ATOM 0 HG23 THR A 77 76.683 0.786 -5.837 1.00 0.00 H new