USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 22 THR OG1 : rot 180:sc= 0.342 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.266 K(o=0.61,f=0.051) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.112 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0318 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -122:sc= 0.741 (180deg=-0.0134) USER MOD Set 3.2: A 12 THR OG1 : rot 161:sc= 0.664 USER MOD Single : A 1 MET CE :methyl 179:sc= -0.0414 (180deg=-0.0464) USER MOD Single : A 1 MET N :NH3+ -157:sc= 2.5 (180deg=2.36) USER MOD Single : A 2 GLN :FLIP amide:sc= 0.847 F(o=-0.02,f=0.85) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0.599 (180deg=0.599) USER MOD Single : A 14 THR OG1 : rot -67:sc= 0.0549 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0011 USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= 2.35 (180deg=1.9) USER MOD Single : A 29 LYS NZ :NH3+ -126:sc= 0.0206 (180deg=-0.0123) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 41 GLN : amide:sc= 1.12 K(o=1.1,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 55 THR OG1 : rot -81:sc= 1.6 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.569 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0625 X(o=-0.062,f=0.1) USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= -0.0238 (180deg=-0.153) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.175 -7.428 -5.363 1.00 9.67 N ATOM 2 CA MET A 1 11.196 -7.315 -3.863 1.00 10.38 C ATOM 3 C MET A 1 9.843 -7.546 -3.239 1.00 9.62 C ATOM 4 O MET A 1 8.789 -7.093 -3.682 1.00 9.62 O ATOM 5 CB MET A 1 11.958 -6.019 -3.498 1.00 13.77 C ATOM 6 CG MET A 1 11.783 -5.547 -2.032 1.00 16.29 C ATOM 7 SD MET A 1 12.549 -3.967 -1.641 1.00 17.17 S ATOM 8 CE MET A 1 10.957 -3.152 -1.342 1.00 16.11 C ATOM 0 H1 MET A 1 12.131 -7.650 -5.708 1.00 9.67 H new ATOM 0 H2 MET A 1 10.521 -8.186 -5.645 1.00 9.67 H new ATOM 0 H3 MET A 1 10.859 -6.527 -5.775 1.00 9.67 H new ATOM 0 HA MET A 1 11.755 -8.128 -3.400 1.00 10.38 H new ATOM 0 HB2 MET A 1 13.020 -6.173 -3.690 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.627 -5.221 -4.163 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.717 -5.480 -1.813 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.197 -6.307 -1.370 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.128 -2.116 -1.051 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.358 -3.179 -2.252 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.427 -3.671 -0.543 1.00 16.11 H new ATOM 20 N GLN A 2 9.758 -8.375 -2.203 1.00 9.27 N ATOM 21 CA GLN A 2 8.600 -8.879 -1.626 1.00 9.07 C ATOM 22 C GLN A 2 8.230 -7.985 -0.436 1.00 8.72 C ATOM 23 O GLN A 2 9.024 -7.775 0.458 1.00 8.22 O ATOM 24 CB GLN A 2 8.929 -10.310 -1.151 1.00 14.46 C ATOM 25 CG GLN A 2 7.739 -11.056 -0.524 1.00 17.01 C ATOM 26 CD GLN A 2 7.955 -12.493 -0.195 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.303 -13.291 -1.232 1.00 21.89 O flip ATOM 28 NE2 GLN A 2 7.821 -12.936 0.941 1.00 19.49 N flip ATOM 0 H GLN A 2 10.596 -8.718 -1.733 1.00 9.27 H new ATOM 0 HA GLN A 2 7.761 -8.898 -2.322 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.298 -10.886 -1.999 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.738 -10.262 -0.422 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.453 -10.536 0.390 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.893 -10.986 -1.208 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.558 -12.312 1.704 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.973 -13.928 1.123 1.00 19.49 H new ATOM 37 N ILE A 3 6.944 -7.571 -0.341 1.00 5.87 N ATOM 38 CA ILE A 3 6.390 -6.843 0.775 1.00 5.07 C ATOM 39 C ILE A 3 5.029 -7.377 1.093 1.00 4.01 C ATOM 40 O ILE A 3 4.347 -7.900 0.214 1.00 4.61 O ATOM 41 CB ILE A 3 6.296 -5.310 0.588 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.332 -4.765 -0.548 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.744 -4.741 0.464 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.080 -3.259 -0.647 1.00 10.83 C ATOM 0 H ILE A 3 6.259 -7.751 -1.075 1.00 5.87 H new ATOM 0 HA ILE A 3 7.094 -6.998 1.593 1.00 5.07 H new ATOM 0 HB ILE A 3 5.793 -4.936 1.480 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.733 -5.095 -1.506 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.366 -5.253 -0.422 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.700 -3.660 0.331 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.305 -4.973 1.369 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.240 -5.192 -0.395 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.400 -3.058 -1.475 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.636 -2.903 0.282 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.024 -2.743 -0.819 1.00 10.83 H new ATOM 56 N PHE A 4 4.585 -7.098 2.330 1.00 4.55 N ATOM 57 CA PHE A 4 3.329 -7.507 2.920 1.00 4.68 C ATOM 58 C PHE A 4 2.397 -6.402 3.290 1.00 5.30 C ATOM 59 O PHE A 4 2.854 -5.334 3.677 1.00 5.58 O ATOM 60 CB PHE A 4 3.593 -8.327 4.197 1.00 4.83 C ATOM 61 CG PHE A 4 4.564 -9.484 3.887 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.109 -10.560 3.094 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.911 -9.494 4.320 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.936 -11.552 2.736 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.746 -10.582 3.995 1.00 10.61 C ATOM 66 CZ PHE A 4 6.244 -11.648 3.283 1.00 8.90 C ATOM 0 H PHE A 4 5.144 -6.542 2.977 1.00 4.55 H new ATOM 0 HA PHE A 4 2.842 -8.084 2.134 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.014 -7.685 4.971 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.655 -8.723 4.586 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.079 -10.584 2.771 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.299 -8.669 4.899 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.603 -12.290 2.021 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.781 -10.579 4.305 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.834 -12.542 3.143 1.00 8.90 H new ATOM 76 N VAL A 5 1.110 -6.680 3.154 1.00 4.44 N ATOM 77 CA VAL A 5 -0.003 -5.765 3.458 1.00 3.87 C ATOM 78 C VAL A 5 -0.965 -6.474 4.349 1.00 4.93 C ATOM 79 O VAL A 5 -1.287 -7.643 4.104 1.00 6.84 O ATOM 80 CB VAL A 5 -0.578 -5.203 2.211 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.676 -4.131 2.512 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.501 -4.498 1.286 1.00 9.13 C ATOM 0 H VAL A 5 0.788 -7.586 2.815 1.00 4.44 H new ATOM 0 HA VAL A 5 0.336 -4.887 4.007 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.998 -6.066 1.694 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.073 -3.743 1.574 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.482 -4.587 3.086 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.239 -3.314 3.086 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.015 -4.109 0.391 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.967 -3.678 1.831 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.263 -5.222 0.999 1.00 9.13 H new ATOM 92 N LYS A 6 -1.450 -5.918 5.480 1.00 6.04 N ATOM 93 CA LYS A 6 -2.478 -6.517 6.286 1.00 6.12 C ATOM 94 C LYS A 6 -3.779 -5.833 6.098 1.00 6.57 C ATOM 95 O LYS A 6 -3.797 -4.607 5.900 1.00 5.76 O ATOM 96 CB LYS A 6 -2.108 -6.343 7.825 1.00 7.45 C ATOM 97 CG LYS A 6 -0.786 -7.000 8.206 1.00 11.12 C ATOM 98 CD LYS A 6 -0.875 -8.539 7.998 1.00 14.54 C ATOM 99 CE LYS A 6 0.256 -9.202 8.830 1.00 18.84 C ATOM 100 NZ LYS A 6 0.400 -10.623 8.438 1.00 20.55 N ATOM 0 H LYS A 6 -1.117 -5.025 5.845 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.552 -7.564 5.991 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -2.059 -5.280 8.062 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.906 -6.769 8.434 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.021 -6.589 7.600 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.547 -6.779 9.246 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.849 -8.911 8.315 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.767 -8.788 6.942 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.196 -8.674 8.669 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.028 -9.130 9.893 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.264 -11.229 9.272 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.313 -10.859 7.719 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.351 -10.781 8.047 1.00 20.55 H new ATOM 114 N THR A 7 -4.954 -6.514 6.030 1.00 7.41 N ATOM 115 CA THR A 7 -6.231 -5.825 5.927 1.00 7.48 C ATOM 116 C THR A 7 -6.920 -5.740 7.285 1.00 8.75 C ATOM 117 O THR A 7 -6.654 -6.408 8.322 1.00 8.58 O ATOM 118 CB THR A 7 -7.154 -6.592 5.045 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.635 -7.803 5.518 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.441 -6.889 3.713 1.00 9.17 C ATOM 0 H THR A 7 -5.024 -7.531 6.046 1.00 7.41 H new ATOM 0 HA THR A 7 -6.024 -4.830 5.533 1.00 7.48 H new ATOM 0 HB THR A 7 -8.024 -5.940 4.964 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.228 -8.203 4.849 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.109 -7.451 3.060 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.166 -5.951 3.231 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.543 -7.476 3.904 1.00 9.17 H new ATOM 128 N LEU A 8 -8.031 -4.963 7.429 1.00 9.84 N ATOM 129 CA LEU A 8 -8.807 -4.810 8.670 1.00 14.15 C ATOM 130 C LEU A 8 -9.425 -6.129 9.225 1.00 17.37 C ATOM 131 O LEU A 8 -9.621 -6.306 10.456 1.00 17.01 O ATOM 132 CB LEU A 8 -9.927 -3.829 8.427 1.00 16.63 C ATOM 133 CG LEU A 8 -9.546 -2.387 8.052 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.481 -1.731 7.025 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.283 -1.528 9.261 1.00 18.59 C ATOM 0 H LEU A 8 -8.412 -4.416 6.657 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.098 -4.462 9.421 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.555 -4.228 7.630 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.540 -3.790 9.327 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.595 -2.470 7.525 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.140 -0.717 6.818 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.473 -2.312 6.103 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.495 -1.698 7.425 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.018 -0.520 8.941 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.179 -1.488 9.881 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.461 -1.953 9.838 1.00 18.59 H new ATOM 147 N THR A 9 -9.710 -7.094 8.343 1.00 18.33 N ATOM 148 CA THR A 9 -10.375 -8.354 8.735 1.00 19.24 C ATOM 149 C THR A 9 -9.329 -9.395 9.003 1.00 19.48 C ATOM 150 O THR A 9 -9.610 -10.586 9.172 1.00 23.14 O ATOM 151 CB THR A 9 -11.276 -8.888 7.743 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.924 -8.509 6.434 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.536 -8.039 7.951 1.00 19.70 C ATOM 0 H THR A 9 -9.492 -7.031 7.349 1.00 18.33 H new ATOM 0 HA THR A 9 -10.970 -8.113 9.616 1.00 19.24 H new ATOM 0 HB THR A 9 -11.324 -9.973 7.840 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.562 -8.896 5.799 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.306 -8.352 7.246 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.900 -8.172 8.970 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.298 -6.988 7.785 1.00 19.70 H new ATOM 161 N GLY A 10 -8.051 -8.965 8.967 1.00 19.43 N ATOM 162 CA GLY A 10 -6.903 -9.820 9.356 1.00 18.74 C ATOM 163 C GLY A 10 -6.503 -10.846 8.322 1.00 17.62 C ATOM 164 O GLY A 10 -6.218 -11.958 8.664 1.00 19.74 O ATOM 0 H GLY A 10 -7.784 -8.026 8.671 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.045 -9.181 9.565 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.149 -10.336 10.284 1.00 18.74 H new ATOM 168 N LYS A 11 -6.511 -10.407 7.007 1.00 13.56 N ATOM 169 CA LYS A 11 -5.972 -11.171 5.903 1.00 11.91 C ATOM 170 C LYS A 11 -4.657 -10.555 5.462 1.00 10.18 C ATOM 171 O LYS A 11 -4.356 -9.355 5.659 1.00 9.10 O ATOM 172 CB LYS A 11 -7.071 -11.121 4.685 1.00 13.43 C ATOM 173 CG LYS A 11 -6.814 -11.998 3.513 1.00 16.69 C ATOM 174 CD LYS A 11 -8.135 -11.927 2.692 1.00 17.92 C ATOM 175 CE LYS A 11 -8.400 -12.922 1.501 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.651 -12.640 0.277 1.00 21.93 N ATOM 0 H LYS A 11 -6.901 -9.507 6.726 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.784 -12.205 6.192 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.046 -11.381 5.097 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.139 -10.092 4.331 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.963 -11.646 2.930 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.590 -13.019 3.820 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.957 -12.046 3.398 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.206 -10.917 2.287 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.158 -13.932 1.832 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -9.465 -12.909 1.268 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.891 -13.346 -0.448 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.897 -11.691 -0.070 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.631 -12.682 0.477 1.00 21.93 H new ATOM 190 N THR A 12 -3.806 -11.310 4.763 1.00 9.63 N ATOM 191 CA THR A 12 -2.437 -10.826 4.409 1.00 9.85 C ATOM 192 C THR A 12 -2.291 -10.826 2.945 1.00 11.66 C ATOM 193 O THR A 12 -2.798 -11.738 2.270 1.00 12.33 O ATOM 194 CB THR A 12 -1.318 -11.588 5.053 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.536 -11.643 6.470 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.015 -10.790 4.848 1.00 9.63 C ATOM 0 H THR A 12 -4.021 -12.249 4.427 1.00 9.63 H new ATOM 0 HA THR A 12 -2.352 -9.815 4.808 1.00 9.85 H new ATOM 0 HB THR A 12 -1.264 -12.588 4.623 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.005 -12.371 6.855 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.816 -11.325 5.309 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.176 -10.673 3.781 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.114 -9.807 5.309 1.00 9.63 H new ATOM 204 N ILE A 13 -1.700 -9.801 2.277 1.00 10.42 N ATOM 205 CA ILE A 13 -1.510 -9.688 0.785 1.00 11.84 C ATOM 206 C ILE A 13 0.001 -9.721 0.669 1.00 10.55 C ATOM 207 O ILE A 13 0.758 -9.077 1.405 1.00 11.92 O ATOM 208 CB ILE A 13 -2.086 -8.448 0.148 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.514 -8.095 0.781 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.306 -8.635 -1.345 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.076 -6.717 0.348 1.00 16.46 C ATOM 0 H ILE A 13 -1.324 -8.992 2.772 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.041 -10.476 0.252 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.365 -7.650 0.329 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.226 -8.871 0.499 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.433 -8.117 1.868 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.722 -7.721 -1.769 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.355 -8.859 -1.828 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.999 -9.460 -1.510 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.045 -6.555 0.820 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.387 -5.930 0.655 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.192 -6.696 -0.736 1.00 16.46 H new ATOM 223 N THR A 14 0.493 -10.419 -0.329 1.00 9.39 N ATOM 224 CA THR A 14 1.896 -10.433 -0.649 1.00 9.63 C ATOM 225 C THR A 14 1.939 -9.777 -2.003 1.00 11.20 C ATOM 226 O THR A 14 1.161 -10.057 -2.966 1.00 11.63 O ATOM 227 CB THR A 14 2.494 -11.819 -0.707 1.00 10.38 C ATOM 228 OG1 THR A 14 2.299 -12.492 0.541 1.00 16.30 O ATOM 229 CG2 THR A 14 4.048 -11.764 -0.892 1.00 11.66 C ATOM 0 H THR A 14 -0.078 -10.997 -0.945 1.00 9.39 H new ATOM 0 HA THR A 14 2.485 -9.928 0.117 1.00 9.63 H new ATOM 0 HB THR A 14 2.009 -12.327 -1.541 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.821 -12.044 1.239 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.446 -12.778 -0.930 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.286 -11.246 -1.821 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.495 -11.230 -0.054 1.00 11.66 H new ATOM 237 N LEU A 15 2.984 -8.947 -2.119 1.00 8.29 N ATOM 238 CA LEU A 15 3.170 -8.203 -3.389 1.00 9.03 C ATOM 239 C LEU A 15 4.596 -8.332 -3.878 1.00 8.59 C ATOM 240 O LEU A 15 5.529 -8.528 -3.096 1.00 7.79 O ATOM 241 CB LEU A 15 2.765 -6.700 -3.202 1.00 11.08 C ATOM 242 CG LEU A 15 1.404 -6.330 -2.569 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.430 -4.841 -2.268 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.227 -6.740 -3.537 1.00 15.27 C ATOM 0 H LEU A 15 3.683 -8.773 -1.397 1.00 8.29 H new ATOM 0 HA LEU A 15 2.519 -8.636 -4.149 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.540 -6.230 -2.597 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.801 -6.232 -4.186 1.00 11.08 H new ATOM 0 HG LEU A 15 1.233 -6.872 -1.639 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.482 -4.544 -1.819 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.243 -4.624 -1.576 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.583 -4.285 -3.193 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.727 -6.475 -3.082 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.335 -6.213 -4.485 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.259 -7.815 -3.714 1.00 15.27 H new ATOM 256 N GLU A 16 4.769 -8.211 -5.189 1.00 11.04 N ATOM 257 CA GLU A 16 6.100 -8.041 -5.758 1.00 11.50 C ATOM 258 C GLU A 16 6.323 -6.702 -6.315 1.00 10.13 C ATOM 259 O GLU A 16 5.549 -6.215 -7.123 1.00 9.83 O ATOM 260 CB GLU A 16 6.338 -9.102 -6.873 1.00 17.22 C ATOM 261 CG GLU A 16 7.807 -9.276 -7.158 1.00 23.33 C ATOM 262 CD GLU A 16 8.602 -10.053 -6.137 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.243 -11.222 -5.870 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.656 -9.594 -5.666 1.00 28.86 O ATOM 0 H GLU A 16 4.012 -8.227 -5.872 1.00 11.04 H new ATOM 0 HA GLU A 16 6.807 -8.174 -4.939 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.909 -10.056 -6.567 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.822 -8.798 -7.784 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.911 -9.773 -8.122 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.255 -8.287 -7.259 1.00 23.33 H new ATOM 271 N VAL A 17 7.435 -6.062 -5.873 1.00 8.99 N ATOM 272 CA VAL A 17 7.601 -4.671 -6.162 1.00 8.85 C ATOM 273 C VAL A 17 9.063 -4.325 -6.294 1.00 8.04 C ATOM 274 O VAL A 17 9.937 -5.145 -5.973 1.00 8.99 O ATOM 275 CB VAL A 17 7.040 -3.759 -5.040 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.530 -3.983 -4.844 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.815 -3.910 -3.728 1.00 10.54 C ATOM 0 H VAL A 17 8.188 -6.493 -5.337 1.00 8.99 H new ATOM 0 HA VAL A 17 7.056 -4.499 -7.090 1.00 8.85 H new ATOM 0 HB VAL A 17 7.180 -2.728 -5.363 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.165 -3.330 -4.051 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.005 -3.756 -5.772 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.349 -5.022 -4.570 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.385 -3.252 -2.973 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.753 -4.943 -3.386 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.859 -3.643 -3.890 1.00 10.54 H new ATOM 287 N GLU A 18 9.448 -3.070 -6.734 1.00 7.29 N ATOM 288 CA GLU A 18 10.792 -2.552 -6.605 1.00 7.08 C ATOM 289 C GLU A 18 10.761 -1.471 -5.589 1.00 6.45 C ATOM 290 O GLU A 18 9.712 -0.865 -5.398 1.00 5.28 O ATOM 291 CB GLU A 18 11.294 -2.028 -8.027 1.00 10.28 C ATOM 292 CG GLU A 18 11.364 -3.123 -9.140 1.00 12.65 C ATOM 293 CD GLU A 18 12.409 -4.242 -8.935 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.449 -3.989 -8.304 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.156 -5.364 -9.474 1.00 18.17 O ATOM 0 H GLU A 18 8.804 -2.419 -7.183 1.00 7.29 H new ATOM 0 HA GLU A 18 11.492 -3.321 -6.280 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.629 -1.232 -8.361 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.284 -1.587 -7.908 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.381 -3.585 -9.227 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.571 -2.632 -10.091 1.00 12.65 H new ATOM 302 N PRO A 19 11.839 -1.013 -4.912 1.00 7.24 N ATOM 303 CA PRO A 19 11.728 0.118 -3.978 1.00 7.07 C ATOM 304 C PRO A 19 11.533 1.435 -4.669 1.00 6.65 C ATOM 305 O PRO A 19 11.237 2.465 -4.057 1.00 6.37 O ATOM 306 CB PRO A 19 13.032 0.033 -3.168 1.00 7.61 C ATOM 307 CG PRO A 19 14.051 -0.684 -4.093 1.00 8.16 C ATOM 308 CD PRO A 19 13.187 -1.662 -4.906 1.00 7.49 C ATOM 0 HA PRO A 19 10.843 0.058 -3.344 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.386 1.026 -2.890 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.883 -0.524 -2.243 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.570 0.023 -4.740 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.814 -1.208 -3.517 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.573 -1.795 -5.917 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.155 -2.649 -4.445 1.00 7.49 H new ATOM 316 N SER A 20 11.664 1.476 -6.046 1.00 6.80 N ATOM 317 CA SER A 20 11.530 2.660 -6.851 1.00 6.28 C ATOM 318 C SER A 20 10.169 2.794 -7.525 1.00 8.45 C ATOM 319 O SER A 20 9.861 3.695 -8.284 1.00 7.26 O ATOM 320 CB SER A 20 12.591 2.717 -7.937 1.00 8.57 C ATOM 321 OG SER A 20 12.470 1.509 -8.733 1.00 11.13 O ATOM 0 H SER A 20 11.871 0.643 -6.598 1.00 6.80 H new ATOM 0 HA SER A 20 11.649 3.483 -6.147 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.454 3.601 -8.560 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.586 2.788 -7.497 1.00 8.57 H new ATOM 0 HG SER A 20 13.143 1.518 -9.445 1.00 11.13 H new ATOM 327 N ASP A 21 9.244 1.870 -7.134 1.00 7.50 N ATOM 328 CA ASP A 21 7.857 1.908 -7.398 1.00 7.70 C ATOM 329 C ASP A 21 7.072 2.833 -6.521 1.00 7.08 C ATOM 330 O ASP A 21 7.314 3.048 -5.354 1.00 8.11 O ATOM 331 CB ASP A 21 7.288 0.480 -7.227 1.00 11.00 C ATOM 332 CG ASP A 21 7.731 -0.573 -8.244 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.373 -0.198 -9.287 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.456 -1.748 -8.032 1.00 14.36 O ATOM 0 H ASP A 21 9.510 1.046 -6.595 1.00 7.50 H new ATOM 0 HA ASP A 21 7.754 2.290 -8.414 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.559 0.125 -6.233 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.200 0.543 -7.258 1.00 11.00 H new ATOM 339 N THR A 22 6.078 3.582 -7.066 1.00 5.37 N ATOM 340 CA THR A 22 5.220 4.550 -6.367 1.00 6.01 C ATOM 341 C THR A 22 4.182 3.838 -5.617 1.00 8.01 C ATOM 342 O THR A 22 3.767 2.713 -5.857 1.00 8.11 O ATOM 343 CB THR A 22 4.491 5.664 -7.203 1.00 8.92 C ATOM 344 OG1 THR A 22 3.474 5.171 -8.069 1.00 10.22 O ATOM 345 CG2 THR A 22 5.556 6.478 -8.002 1.00 9.65 C ATOM 0 H THR A 22 5.849 3.517 -8.058 1.00 5.37 H new ATOM 0 HA THR A 22 5.946 5.087 -5.756 1.00 6.01 H new ATOM 0 HB THR A 22 3.970 6.307 -6.493 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.066 5.919 -8.553 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.059 7.253 -8.585 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.257 6.940 -7.307 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.097 5.810 -8.673 1.00 9.65 H new ATOM 353 N ILE A 23 3.629 4.487 -4.589 1.00 8.32 N ATOM 354 CA ILE A 23 2.549 3.914 -3.771 1.00 9.92 C ATOM 355 C ILE A 23 1.326 3.627 -4.566 1.00 10.01 C ATOM 356 O ILE A 23 0.601 2.589 -4.518 1.00 8.71 O ATOM 357 CB ILE A 23 2.201 4.863 -2.616 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.484 5.296 -1.818 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.194 4.338 -1.607 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.341 4.108 -1.423 1.00 12.30 C ATOM 0 H ILE A 23 3.914 5.422 -4.298 1.00 8.32 H new ATOM 0 HA ILE A 23 2.916 2.966 -3.377 1.00 9.92 H new ATOM 0 HB ILE A 23 1.736 5.705 -3.129 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.074 5.981 -2.426 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.186 5.841 -0.922 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.024 5.091 -0.837 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.254 4.117 -2.112 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.580 3.429 -1.147 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.216 4.457 -0.874 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.761 3.435 -0.792 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.663 3.578 -2.319 1.00 12.30 H new ATOM 372 N GLU A 24 0.964 4.524 -5.532 1.00 9.54 N ATOM 373 CA GLU A 24 -0.121 4.333 -6.565 1.00 11.81 C ATOM 374 C GLU A 24 0.091 3.004 -7.413 1.00 11.14 C ATOM 375 O GLU A 24 -0.813 2.226 -7.623 1.00 10.62 O ATOM 376 CB GLU A 24 -0.382 5.580 -7.460 1.00 19.24 C ATOM 377 CG GLU A 24 -1.698 5.382 -8.342 1.00 27.76 C ATOM 378 CD GLU A 24 -2.102 6.656 -9.020 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.552 7.578 -8.324 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.018 6.694 -10.327 1.00 36.51 O ATOM 0 H GLU A 24 1.428 5.428 -5.622 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.042 4.209 -5.995 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.489 6.466 -6.834 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.475 5.751 -8.111 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.522 4.610 -9.091 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.513 5.032 -7.708 1.00 27.76 H new ATOM 387 N ASN A 25 1.330 2.773 -7.822 1.00 9.43 N ATOM 388 CA ASN A 25 1.659 1.487 -8.460 1.00 10.96 C ATOM 389 C ASN A 25 1.628 0.224 -7.527 1.00 9.68 C ATOM 390 O ASN A 25 1.416 -0.923 -7.962 1.00 9.33 O ATOM 391 CB ASN A 25 2.989 1.472 -9.241 1.00 16.78 C ATOM 392 CG ASN A 25 2.844 2.173 -10.518 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.872 1.470 -11.511 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.665 3.499 -10.516 1.00 24.70 N ATOM 0 H ASN A 25 2.107 3.428 -7.733 1.00 9.43 H new ATOM 0 HA ASN A 25 0.827 1.407 -9.160 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.771 1.945 -8.647 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.301 0.443 -9.418 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.538 3.998 -11.397 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.655 4.011 -9.634 1.00 24.70 H new ATOM 401 N VAL A 26 1.835 0.347 -6.201 1.00 6.52 N ATOM 402 CA VAL A 26 1.590 -0.614 -5.194 1.00 5.53 C ATOM 403 C VAL A 26 0.085 -0.811 -5.079 1.00 4.42 C ATOM 404 O VAL A 26 -0.318 -1.987 -5.106 1.00 3.40 O ATOM 405 CB VAL A 26 2.268 -0.253 -3.800 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.662 -1.190 -2.783 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.811 -0.314 -3.980 1.00 8.12 C ATOM 0 H VAL A 26 2.212 1.210 -5.810 1.00 6.52 H new ATOM 0 HA VAL A 26 2.061 -1.554 -5.483 1.00 5.53 H new ATOM 0 HB VAL A 26 2.080 0.758 -3.438 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.091 -0.988 -1.801 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.583 -1.038 -2.746 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.873 -2.221 -3.067 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.297 -0.070 -3.036 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.102 -1.318 -4.289 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.117 0.403 -4.742 1.00 8.12 H new ATOM 417 N LYS A 27 -0.804 0.215 -4.961 1.00 2.64 N ATOM 418 CA LYS A 27 -2.226 0.058 -4.886 1.00 4.14 C ATOM 419 C LYS A 27 -2.804 -0.646 -6.118 1.00 5.58 C ATOM 420 O LYS A 27 -3.820 -1.383 -6.019 1.00 4.11 O ATOM 421 CB LYS A 27 -3.023 1.370 -4.640 1.00 3.97 C ATOM 422 CG LYS A 27 -2.637 2.193 -3.392 1.00 7.45 C ATOM 423 CD LYS A 27 -3.582 3.305 -3.173 1.00 9.02 C ATOM 424 CE LYS A 27 -3.083 4.251 -2.117 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.148 5.283 -1.966 1.00 15.47 N ATOM 0 H LYS A 27 -0.509 1.190 -4.917 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.356 -0.567 -4.003 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.908 2.007 -5.517 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.081 1.117 -4.567 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.624 1.545 -2.516 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.628 2.588 -3.511 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.731 3.847 -4.107 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.552 2.906 -2.877 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.906 3.730 -1.176 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.137 4.705 -2.413 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.918 5.904 -1.164 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.209 5.849 -2.836 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.061 4.817 -1.792 1.00 15.47 H new ATOM 439 N ALA A 28 -2.153 -0.441 -7.331 1.00 6.61 N ATOM 440 CA ALA A 28 -2.549 -1.108 -8.573 1.00 7.74 C ATOM 441 C ALA A 28 -2.465 -2.650 -8.531 1.00 9.17 C ATOM 442 O ALA A 28 -3.365 -3.340 -9.000 1.00 11.45 O ATOM 443 CB ALA A 28 -1.757 -0.476 -9.777 1.00 7.68 C ATOM 0 H ALA A 28 -1.356 0.187 -7.438 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.614 -0.927 -8.715 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.049 -0.970 -10.704 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.986 0.588 -9.845 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.687 -0.607 -9.617 1.00 7.68 H new ATOM 449 N LYS A 29 -1.382 -3.174 -7.947 1.00 8.96 N ATOM 450 CA LYS A 29 -1.146 -4.552 -7.619 1.00 7.90 C ATOM 451 C LYS A 29 -1.974 -5.147 -6.528 1.00 6.92 C ATOM 452 O LYS A 29 -2.294 -6.342 -6.575 1.00 6.87 O ATOM 453 CB LYS A 29 0.329 -4.794 -7.262 1.00 10.28 C ATOM 454 CG LYS A 29 1.291 -4.357 -8.356 1.00 14.94 C ATOM 455 CD LYS A 29 2.784 -4.579 -7.987 1.00 19.69 C ATOM 456 CE LYS A 29 3.738 -4.262 -9.153 1.00 22.63 C ATOM 457 NZ LYS A 29 3.767 -2.809 -9.359 1.00 24.98 N ATOM 0 H LYS A 29 -0.595 -2.584 -7.677 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.447 -5.057 -8.537 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.566 -4.258 -6.343 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.478 -5.855 -7.059 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.064 -4.906 -9.270 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.130 -3.301 -8.571 1.00 14.94 H new ATOM 0 HD2 LYS A 29 3.040 -3.952 -7.133 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.927 -5.614 -7.677 1.00 19.69 H new ATOM 0 HE2 LYS A 29 4.739 -4.632 -8.933 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.405 -4.765 -10.061 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.543 -2.595 -10.352 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.064 -2.357 -8.740 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.714 -2.445 -9.131 1.00 24.98 H new ATOM 471 N ILE A 30 -2.445 -4.336 -5.536 1.00 4.57 N ATOM 472 CA ILE A 30 -3.438 -4.732 -4.552 1.00 5.58 C ATOM 473 C ILE A 30 -4.841 -4.959 -5.101 1.00 7.26 C ATOM 474 O ILE A 30 -5.567 -5.906 -4.796 1.00 9.46 O ATOM 475 CB ILE A 30 -3.510 -3.670 -3.409 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.090 -3.519 -2.706 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.594 -4.021 -2.376 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.905 -2.404 -1.737 1.00 2.00 C ATOM 0 H ILE A 30 -2.124 -3.375 -5.416 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.097 -5.699 -4.184 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.784 -2.715 -3.857 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.874 -4.452 -2.186 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.340 -3.409 -3.489 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.614 -3.259 -1.597 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.566 -4.062 -2.868 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.372 -4.991 -1.930 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.890 -2.430 -1.342 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.074 -1.452 -2.241 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.616 -2.512 -0.918 1.00 2.00 H new ATOM 490 N GLN A 31 -5.199 -4.032 -6.047 1.00 7.06 N ATOM 491 CA GLN A 31 -6.467 -4.106 -6.750 1.00 8.67 C ATOM 492 C GLN A 31 -6.557 -5.348 -7.623 1.00 10.90 C ATOM 493 O GLN A 31 -7.594 -5.974 -7.706 1.00 9.63 O ATOM 494 CB GLN A 31 -6.601 -2.835 -7.565 1.00 9.12 C ATOM 495 CG GLN A 31 -7.960 -2.712 -8.334 1.00 10.76 C ATOM 496 CD GLN A 31 -8.128 -1.496 -9.207 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.159 -0.922 -9.661 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.419 -1.135 -9.441 1.00 14.76 N ATOM 0 H GLN A 31 -4.614 -3.242 -6.318 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.289 -4.188 -6.039 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.492 -1.977 -6.902 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.783 -2.789 -8.284 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.082 -3.599 -8.956 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.768 -2.722 -7.603 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.181 -1.668 -9.023 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.624 -0.331 -10.034 1.00 14.76 H new ATOM 507 N ASP A 32 -5.454 -5.657 -8.292 1.00 10.93 N ATOM 508 CA ASP A 32 -5.265 -6.917 -9.017 1.00 14.01 C ATOM 509 C ASP A 32 -5.364 -8.218 -8.152 1.00 14.04 C ATOM 510 O ASP A 32 -5.925 -9.251 -8.604 1.00 13.39 O ATOM 511 CB ASP A 32 -3.920 -6.897 -9.663 1.00 18.01 C ATOM 512 CG ASP A 32 -3.742 -6.012 -10.807 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.692 -5.877 -11.622 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.611 -5.480 -10.951 1.00 25.17 O ATOM 0 H ASP A 32 -4.650 -5.032 -8.350 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.088 -6.966 -9.730 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.186 -6.621 -8.906 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.684 -7.912 -9.982 1.00 18.01 H new ATOM 519 N LYS A 33 -4.846 -8.171 -6.976 1.00 14.22 N ATOM 520 CA LYS A 33 -5.037 -9.342 -6.123 1.00 14.00 C ATOM 521 C LYS A 33 -6.462 -9.397 -5.639 1.00 12.37 C ATOM 522 O LYS A 33 -7.242 -10.368 -5.844 1.00 12.17 O ATOM 523 CB LYS A 33 -4.092 -9.241 -4.959 1.00 18.62 C ATOM 524 CG LYS A 33 -2.598 -9.517 -5.110 1.00 24.00 C ATOM 525 CD LYS A 33 -2.200 -10.762 -5.879 1.00 27.61 C ATOM 526 CE LYS A 33 -0.781 -11.159 -5.550 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.081 -12.033 -6.517 1.00 30.06 N ATOM 0 H LYS A 33 -4.314 -7.396 -6.579 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.832 -10.254 -6.684 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.187 -8.230 -4.562 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.462 -9.921 -4.192 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.143 -8.657 -5.600 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.163 -9.582 -4.112 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.878 -11.580 -5.634 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.294 -10.580 -6.950 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.194 -10.248 -5.432 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.787 -11.662 -4.583 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.881 -12.230 -6.174 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.603 -12.927 -6.618 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.028 -11.557 -7.440 1.00 30.06 H new ATOM 541 N GLU A 34 -6.927 -8.292 -4.998 1.00 10.11 N ATOM 542 CA GLU A 34 -8.046 -8.282 -3.989 1.00 10.07 C ATOM 543 C GLU A 34 -9.221 -7.394 -4.322 1.00 9.32 C ATOM 544 O GLU A 34 -10.200 -7.222 -3.586 1.00 11.61 O ATOM 545 CB GLU A 34 -7.574 -7.806 -2.536 1.00 14.77 C ATOM 546 CG GLU A 34 -6.375 -8.635 -1.964 1.00 18.75 C ATOM 547 CD GLU A 34 -6.978 -9.949 -1.391 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.806 -9.931 -0.430 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.508 -11.002 -1.926 1.00 25.19 O ATOM 0 H GLU A 34 -6.536 -7.364 -5.163 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.355 -9.327 -4.010 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.289 -6.755 -2.582 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.416 -7.878 -1.848 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.646 -8.851 -2.745 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -5.853 -8.077 -1.187 1.00 18.75 H new ATOM 556 N GLY A 35 -9.211 -6.759 -5.538 1.00 7.22 N ATOM 557 CA GLY A 35 -10.389 -6.150 -6.131 1.00 6.29 C ATOM 558 C GLY A 35 -10.740 -4.770 -5.621 1.00 6.93 C ATOM 559 O GLY A 35 -11.749 -4.258 -6.080 1.00 7.41 O ATOM 0 H GLY A 35 -8.373 -6.670 -6.112 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.242 -6.092 -7.209 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.241 -6.808 -5.960 1.00 6.29 H new ATOM 563 N ILE A 36 -9.965 -4.141 -4.696 1.00 5.86 N ATOM 564 CA ILE A 36 -10.300 -2.814 -4.133 1.00 6.07 C ATOM 565 C ILE A 36 -9.776 -1.658 -4.977 1.00 6.36 C ATOM 566 O ILE A 36 -8.585 -1.670 -5.301 1.00 6.18 O ATOM 567 CB ILE A 36 -9.760 -2.719 -2.671 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.905 -4.078 -1.925 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.462 -1.578 -1.922 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.892 -4.168 -0.821 1.00 9.49 C ATOM 0 H ILE A 36 -9.101 -4.538 -4.327 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.386 -2.722 -4.136 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.694 -2.493 -2.708 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.911 -4.172 -1.515 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.767 -4.903 -2.624 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.078 -1.521 -0.904 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.272 -0.635 -2.435 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.535 -1.767 -1.895 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.001 -5.122 -0.304 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.889 -4.095 -1.241 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.050 -3.353 -0.115 1.00 9.49 H new ATOM 582 N PRO A 37 -10.472 -0.653 -5.423 1.00 8.65 N ATOM 583 CA PRO A 37 -9.896 0.477 -6.155 1.00 9.18 C ATOM 584 C PRO A 37 -8.808 1.238 -5.382 1.00 9.85 C ATOM 585 O PRO A 37 -8.865 1.297 -4.176 1.00 8.51 O ATOM 586 CB PRO A 37 -11.108 1.360 -6.515 1.00 11.42 C ATOM 587 CG PRO A 37 -12.040 1.098 -5.361 1.00 9.27 C ATOM 588 CD PRO A 37 -11.800 -0.392 -4.996 1.00 8.33 C ATOM 0 HA PRO A 37 -9.355 0.137 -7.038 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.838 2.413 -6.590 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.551 1.076 -7.470 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -11.821 1.753 -4.518 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.078 1.275 -5.641 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -11.913 -0.562 -3.925 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.514 -1.044 -5.499 1.00 8.33 H new ATOM 596 N PRO A 38 -7.760 1.872 -6.067 1.00 8.71 N ATOM 597 CA PRO A 38 -6.683 2.534 -5.373 1.00 9.08 C ATOM 598 C PRO A 38 -7.180 3.774 -4.712 1.00 9.28 C ATOM 599 O PRO A 38 -6.464 4.368 -3.946 1.00 6.50 O ATOM 600 CB PRO A 38 -5.696 2.930 -6.436 1.00 10.31 C ATOM 601 CG PRO A 38 -6.505 3.011 -7.767 1.00 10.81 C ATOM 602 CD PRO A 38 -7.533 1.880 -7.511 1.00 12.00 C ATOM 0 HA PRO A 38 -6.250 1.884 -4.612 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.234 3.889 -6.201 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.891 2.199 -6.513 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.978 3.982 -7.911 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.887 2.824 -8.645 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.461 2.064 -8.052 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.150 0.918 -7.853 1.00 12.00 H new ATOM 610 N ASP A 39 -8.431 4.189 -4.986 1.00 11.20 N ATOM 611 CA ASP A 39 -9.037 5.339 -4.398 1.00 14.96 C ATOM 612 C ASP A 39 -9.444 5.107 -2.945 1.00 13.99 C ATOM 613 O ASP A 39 -9.068 5.803 -2.004 1.00 13.75 O ATOM 614 CB ASP A 39 -10.232 5.808 -5.192 1.00 24.16 C ATOM 615 CG ASP A 39 -9.804 6.062 -6.678 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.915 7.001 -6.811 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.361 5.535 -7.697 1.00 35.55 O ATOM 0 H ASP A 39 -9.042 3.703 -5.643 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.275 6.118 -4.414 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.024 5.060 -5.153 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.635 6.722 -4.757 1.00 24.16 H new ATOM 622 N GLN A 40 -10.131 3.958 -2.782 1.00 11.60 N ATOM 623 CA GLN A 40 -10.644 3.472 -1.477 1.00 10.76 C ATOM 624 C GLN A 40 -9.505 3.101 -0.516 1.00 8.01 C ATOM 625 O GLN A 40 -9.524 3.424 0.645 1.00 8.96 O ATOM 626 CB GLN A 40 -11.631 2.308 -1.579 1.00 11.14 C ATOM 627 CG GLN A 40 -12.349 2.126 -0.184 1.00 14.85 C ATOM 628 CD GLN A 40 -13.461 1.124 -0.151 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.417 0.018 -0.722 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.554 1.494 0.557 1.00 18.16 N ATOM 0 H GLN A 40 -10.349 3.333 -3.558 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.199 4.320 -1.075 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.366 2.504 -2.359 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.108 1.393 -1.857 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.601 1.835 0.554 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.746 3.092 0.128 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.578 2.402 1.020 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.353 0.864 0.627 1.00 18.16 H new ATOM 639 N GLN A 41 -8.488 2.440 -1.088 1.00 6.52 N ATOM 640 CA GLN A 41 -7.299 2.021 -0.370 1.00 3.87 C ATOM 641 C GLN A 41 -6.530 3.242 0.098 1.00 4.79 C ATOM 642 O GLN A 41 -6.182 4.130 -0.643 1.00 6.34 O ATOM 643 CB GLN A 41 -6.346 1.190 -1.183 1.00 4.20 C ATOM 644 CG GLN A 41 -6.854 -0.170 -1.804 1.00 3.20 C ATOM 645 CD GLN A 41 -5.800 -0.650 -2.780 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.642 -0.667 -2.408 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.164 -0.998 -4.021 1.00 7.13 N ATOM 0 H GLN A 41 -8.478 2.183 -2.075 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.663 1.408 0.454 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.984 1.811 -2.002 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.487 0.963 -0.552 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.017 -0.911 -1.021 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.808 -0.027 -2.311 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.147 -0.969 -4.291 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.458 -1.292 -4.696 1.00 7.13 H new ATOM 656 N ARG A 42 -6.039 3.154 1.363 1.00 5.73 N ATOM 657 CA ARG A 42 -5.105 4.074 1.975 1.00 6.97 C ATOM 658 C ARG A 42 -4.167 3.221 2.828 1.00 7.15 C ATOM 659 O ARG A 42 -4.572 2.369 3.660 1.00 7.33 O ATOM 660 CB ARG A 42 -5.860 5.052 2.891 1.00 13.23 C ATOM 661 CG ARG A 42 -6.441 6.111 1.990 1.00 21.27 C ATOM 662 CD ARG A 42 -7.169 7.171 2.855 1.00 26.14 C ATOM 663 NE ARG A 42 -7.437 8.396 2.033 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.157 9.401 2.600 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.579 9.444 3.869 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.473 10.404 1.798 1.00 36.39 N ATOM 0 H ARG A 42 -6.310 2.399 1.993 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.566 4.649 1.222 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.646 4.538 3.445 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.188 5.493 3.627 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.651 6.582 1.405 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.137 5.661 1.282 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.106 6.764 3.234 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.560 7.429 3.721 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.090 8.473 1.077 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.364 8.675 4.504 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.115 10.245 4.201 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.178 10.389 0.822 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.012 11.193 2.156 1.00 36.39 H new ATOM 680 N LEU A 43 -2.870 3.414 2.616 1.00 4.65 N ATOM 681 CA LEU A 43 -1.863 2.535 3.082 1.00 3.51 C ATOM 682 C LEU A 43 -1.103 3.246 4.184 1.00 5.56 C ATOM 683 O LEU A 43 -0.779 4.430 4.121 1.00 4.19 O ATOM 684 CB LEU A 43 -0.860 2.037 1.979 1.00 3.74 C ATOM 685 CG LEU A 43 -1.417 1.022 0.991 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.327 0.696 -0.075 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.868 -0.370 1.565 1.00 6.41 C ATOM 0 H LEU A 43 -2.505 4.214 2.099 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.362 1.633 3.436 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.504 2.903 1.421 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.006 1.598 2.473 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.312 1.514 0.611 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.719 -0.031 -0.786 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.051 1.608 -0.604 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.552 0.282 0.419 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.243 -0.994 0.754 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.017 -0.862 2.037 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.656 -0.221 2.303 1.00 6.41 H new ATOM 699 N ILE A 44 -0.766 2.529 5.320 1.00 4.58 N ATOM 700 CA ILE A 44 -0.150 3.136 6.494 1.00 5.55 C ATOM 701 C ILE A 44 1.191 2.337 6.712 1.00 5.46 C ATOM 702 O ILE A 44 1.124 1.103 6.849 1.00 6.04 O ATOM 703 CB ILE A 44 -0.956 2.971 7.796 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.472 3.365 7.562 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.303 3.775 8.956 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.718 4.814 7.025 1.00 13.90 C ATOM 0 H ILE A 44 -0.926 1.526 5.414 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.051 4.206 6.309 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.939 1.922 8.093 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.908 2.657 6.858 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.008 3.250 8.504 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.890 3.643 9.865 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.712 3.413 9.123 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.273 4.833 8.694 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.788 4.979 6.901 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.319 5.538 7.736 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.218 4.936 6.064 1.00 13.90 H new ATOM 718 N PHE A 45 2.327 3.032 6.822 1.00 6.75 N ATOM 719 CA PHE A 45 3.488 2.365 7.443 1.00 4.70 C ATOM 720 C PHE A 45 4.214 3.421 8.160 1.00 6.34 C ATOM 721 O PHE A 45 4.503 4.460 7.535 1.00 5.45 O ATOM 722 CB PHE A 45 4.445 1.728 6.370 1.00 5.51 C ATOM 723 CG PHE A 45 5.799 1.204 6.953 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.727 0.196 7.895 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.038 1.802 6.647 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.901 -0.302 8.526 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.191 1.395 7.349 1.00 6.64 C ATOM 728 CZ PHE A 45 8.150 0.266 8.224 1.00 6.84 C ATOM 0 H PHE A 45 2.472 3.993 6.514 1.00 6.75 H new ATOM 0 HA PHE A 45 3.154 1.556 8.092 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.928 0.902 5.882 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.656 2.471 5.601 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.765 -0.220 8.156 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.103 2.563 5.884 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.832 -1.114 9.235 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.114 1.942 7.224 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.058 -0.141 8.643 1.00 6.84 H new ATOM 738 N ALA A 46 4.488 3.217 9.447 1.00 6.53 N ATOM 739 CA ALA A 46 5.332 3.997 10.296 1.00 7.15 C ATOM 740 C ALA A 46 4.673 5.280 10.870 1.00 9.00 C ATOM 741 O ALA A 46 5.283 6.339 10.931 1.00 11.15 O ATOM 742 CB ALA A 46 6.776 4.339 9.770 1.00 8.99 C ATOM 0 H ALA A 46 4.080 2.428 9.949 1.00 6.53 H new ATOM 0 HA ALA A 46 5.474 3.278 11.103 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.303 4.934 10.515 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.325 3.415 9.588 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.700 4.905 8.841 1.00 8.99 H new ATOM 748 N GLY A 47 3.414 5.217 11.409 1.00 9.35 N ATOM 749 CA GLY A 47 2.762 6.358 12.141 1.00 11.68 C ATOM 750 C GLY A 47 2.223 7.397 11.218 1.00 11.14 C ATOM 751 O GLY A 47 1.680 8.416 11.588 1.00 13.93 O ATOM 0 H GLY A 47 2.827 4.385 11.350 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.952 5.972 12.761 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.488 6.816 12.813 1.00 11.68 H new ATOM 755 N LYS A 48 2.296 7.105 9.917 1.00 10.47 N ATOM 756 CA LYS A 48 1.936 8.085 8.857 1.00 8.82 C ATOM 757 C LYS A 48 1.389 7.369 7.594 1.00 7.68 C ATOM 758 O LYS A 48 1.597 6.194 7.446 1.00 6.47 O ATOM 759 CB LYS A 48 3.096 9.083 8.547 1.00 9.74 C ATOM 760 CG LYS A 48 4.291 8.361 7.981 1.00 14.14 C ATOM 761 CD LYS A 48 5.513 9.316 7.907 1.00 16.32 C ATOM 762 CE LYS A 48 6.815 8.519 7.534 1.00 20.04 C ATOM 763 NZ LYS A 48 7.956 9.384 7.364 1.00 23.92 N ATOM 0 H LYS A 48 2.600 6.200 9.559 1.00 10.47 H new ATOM 0 HA LYS A 48 1.124 8.702 9.242 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.753 9.837 7.839 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.382 9.609 9.458 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.532 7.499 8.603 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.057 7.981 6.987 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.330 10.093 7.164 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.649 9.817 8.866 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.028 7.789 8.315 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.645 7.960 6.614 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.790 8.814 7.119 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.765 10.064 6.601 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.136 9.899 8.249 1.00 23.92 H new ATOM 777 N GLN A 49 0.601 8.111 6.808 1.00 8.89 N ATOM 778 CA GLN A 49 -0.216 7.596 5.700 1.00 7.18 C ATOM 779 C GLN A 49 0.536 7.760 4.385 1.00 8.23 C ATOM 780 O GLN A 49 0.933 8.892 4.102 1.00 9.70 O ATOM 781 CB GLN A 49 -1.621 8.286 5.661 1.00 11.67 C ATOM 782 CG GLN A 49 -2.473 7.833 4.461 1.00 15.82 C ATOM 783 CD GLN A 49 -3.910 8.364 4.565 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.680 7.988 5.439 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.264 9.248 3.589 1.00 20.67 N ATOM 0 H GLN A 49 0.510 9.120 6.928 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.396 6.533 5.859 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.156 8.065 6.585 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.489 9.367 5.620 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.019 8.186 3.535 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.488 6.744 4.413 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.583 9.529 2.884 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.210 9.629 3.564 1.00 20.67 H new ATOM 794 N LEU A 50 0.660 6.681 3.607 1.00 6.51 N ATOM 795 CA LEU A 50 1.513 6.717 2.433 1.00 7.41 C ATOM 796 C LEU A 50 0.898 7.342 1.169 1.00 8.27 C ATOM 797 O LEU A 50 -0.141 6.907 0.710 1.00 8.34 O ATOM 798 CB LEU A 50 1.904 5.170 2.143 1.00 7.13 C ATOM 799 CG LEU A 50 2.755 4.380 3.122 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.916 2.961 2.537 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.084 5.004 3.389 1.00 9.11 C ATOM 0 H LEU A 50 0.188 5.792 3.770 1.00 6.51 H new ATOM 0 HA LEU A 50 2.360 7.367 2.651 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.970 4.623 2.019 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.418 5.146 1.182 1.00 7.13 H new ATOM 0 HG LEU A 50 2.256 4.358 4.091 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.523 2.356 3.211 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.934 2.501 2.422 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.404 3.022 1.564 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.640 4.388 4.096 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.644 5.081 2.457 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.941 5.999 3.809 1.00 9.11 H new ATOM 813 N GLU A 51 1.446 8.383 0.576 1.00 9.43 N ATOM 814 CA GLU A 51 0.904 9.179 -0.437 1.00 11.90 C ATOM 815 C GLU A 51 1.249 8.627 -1.803 1.00 11.49 C ATOM 816 O GLU A 51 2.359 8.160 -2.111 1.00 9.88 O ATOM 817 CB GLU A 51 1.472 10.620 -0.386 1.00 16.56 C ATOM 818 CG GLU A 51 0.702 11.650 -1.183 1.00 26.06 C ATOM 819 CD GLU A 51 1.404 13.007 -1.205 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.479 13.104 -1.886 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.925 13.954 -0.567 1.00 32.13 O ATOM 0 H GLU A 51 2.378 8.701 0.840 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.174 9.184 -0.278 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.506 10.942 0.655 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.500 10.600 -0.748 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.573 11.293 -2.205 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.295 11.765 -0.757 1.00 26.06 H new ATOM 828 N ASP A 52 0.152 8.633 -2.638 1.00 12.71 N ATOM 829 CA ASP A 52 0.039 7.966 -3.967 1.00 16.56 C ATOM 830 C ASP A 52 1.226 8.187 -5.001 1.00 15.83 C ATOM 831 O ASP A 52 1.731 7.135 -5.443 1.00 17.21 O ATOM 832 CB ASP A 52 -1.346 8.297 -4.545 1.00 21.05 C ATOM 833 CG ASP A 52 -2.418 7.831 -3.603 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.522 8.432 -2.543 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.205 6.899 -3.917 1.00 25.82 O ATOM 0 H ASP A 52 -0.705 9.125 -2.384 1.00 12.71 H new ATOM 0 HA ASP A 52 0.144 6.896 -3.786 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.434 9.371 -4.708 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.469 7.817 -5.516 1.00 21.05 H new ATOM 840 N GLY A 53 1.629 9.473 -5.364 1.00 15.00 N ATOM 841 CA GLY A 53 2.720 9.667 -6.273 1.00 11.77 C ATOM 842 C GLY A 53 4.115 9.514 -5.807 1.00 11.10 C ATOM 843 O GLY A 53 5.029 9.565 -6.631 1.00 11.25 O ATOM 0 H GLY A 53 1.196 10.331 -5.024 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.578 8.972 -7.101 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.625 10.673 -6.682 1.00 11.77 H new ATOM 847 N ARG A 54 4.382 9.240 -4.512 1.00 8.53 N ATOM 848 CA ARG A 54 5.754 9.007 -4.029 1.00 9.05 C ATOM 849 C ARG A 54 6.100 7.531 -4.025 1.00 8.96 C ATOM 850 O ARG A 54 5.282 6.678 -4.354 1.00 11.60 O ATOM 851 CB ARG A 54 5.947 9.602 -2.578 1.00 7.97 C ATOM 852 CG ARG A 54 5.269 10.963 -2.316 1.00 9.62 C ATOM 853 CD ARG A 54 5.736 11.527 -0.948 1.00 12.20 C ATOM 854 NE ARG A 54 4.672 12.518 -0.545 1.00 18.23 N ATOM 855 CZ ARG A 54 4.700 13.195 0.630 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.779 13.125 1.425 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.681 13.923 0.994 1.00 23.38 N ATOM 0 H ARG A 54 3.667 9.176 -3.788 1.00 8.53 H new ATOM 0 HA ARG A 54 6.428 9.516 -4.717 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.563 8.881 -1.856 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.015 9.707 -2.387 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.518 11.664 -3.113 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.185 10.847 -2.321 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.835 10.733 -0.208 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.711 12.008 -1.032 1.00 12.20 H new ATOM 0 HE ARG A 54 3.896 12.687 -1.185 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.582 12.561 1.146 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.796 13.636 2.308 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.858 13.985 0.394 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.707 14.430 1.879 1.00 23.38 H new ATOM 871 N THR A 55 7.356 7.212 -3.690 1.00 9.05 N ATOM 872 CA THR A 55 7.922 5.877 -3.734 1.00 9.03 C ATOM 873 C THR A 55 8.148 5.277 -2.361 1.00 8.15 C ATOM 874 O THR A 55 8.268 5.964 -1.377 1.00 5.91 O ATOM 875 CB THR A 55 9.241 5.686 -4.502 1.00 11.15 C ATOM 876 OG1 THR A 55 10.328 6.299 -3.844 1.00 11.95 O ATOM 877 CG2 THR A 55 9.085 6.229 -5.955 1.00 11.71 C ATOM 0 H THR A 55 8.025 7.912 -3.369 1.00 9.05 H new ATOM 0 HA THR A 55 7.136 5.367 -4.291 1.00 9.03 H new ATOM 0 HB THR A 55 9.461 4.619 -4.542 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.338 7.257 -4.051 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.021 6.092 -6.497 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.289 5.685 -6.463 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.836 7.290 -5.922 1.00 11.71 H new ATOM 885 N LEU A 56 8.386 3.922 -2.374 1.00 6.91 N ATOM 886 CA LEU A 56 8.880 3.116 -1.247 1.00 8.29 C ATOM 887 C LEU A 56 10.231 3.547 -0.673 1.00 8.05 C ATOM 888 O LEU A 56 10.341 3.659 0.496 1.00 10.17 O ATOM 889 CB LEU A 56 8.942 1.658 -1.676 1.00 6.60 C ATOM 890 CG LEU A 56 7.582 1.013 -2.056 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.884 -0.422 -2.503 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.575 1.070 -0.900 1.00 8.64 C ATOM 0 H LEU A 56 8.227 3.360 -3.210 1.00 6.91 H new ATOM 0 HA LEU A 56 8.170 3.272 -0.435 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.614 1.577 -2.531 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.385 1.078 -0.867 1.00 6.60 H new ATOM 0 HG LEU A 56 7.105 1.566 -2.865 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.955 -0.919 -2.782 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.556 -0.402 -3.361 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.356 -0.966 -1.685 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.638 0.608 -1.210 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.977 0.534 -0.040 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.393 2.109 -0.627 1.00 8.64 H new ATOM 904 N SER A 57 11.214 3.901 -1.540 1.00 8.92 N ATOM 905 CA SER A 57 12.473 4.614 -1.168 1.00 9.00 C ATOM 906 C SER A 57 12.192 6.013 -0.559 1.00 9.44 C ATOM 907 O SER A 57 12.892 6.379 0.373 1.00 10.91 O ATOM 908 CB SER A 57 13.507 4.675 -2.314 1.00 10.32 C ATOM 909 OG SER A 57 14.699 5.432 -1.985 1.00 13.59 O ATOM 0 H SER A 57 11.157 3.697 -2.538 1.00 8.92 H new ATOM 0 HA SER A 57 12.935 4.009 -0.388 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.796 3.660 -2.585 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.037 5.118 -3.192 1.00 10.32 H new ATOM 0 HG SER A 57 15.310 5.429 -2.751 1.00 13.59 H new ATOM 915 N ASP A 58 11.232 6.834 -1.054 1.00 9.11 N ATOM 916 CA ASP A 58 11.067 8.185 -0.452 1.00 7.91 C ATOM 917 C ASP A 58 10.481 8.117 0.994 1.00 9.12 C ATOM 918 O ASP A 58 10.685 8.959 1.820 1.00 8.61 O ATOM 919 CB ASP A 58 9.867 8.818 -1.189 1.00 8.41 C ATOM 920 CG ASP A 58 10.315 9.319 -2.574 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.123 10.264 -2.588 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.768 8.834 -3.593 1.00 11.70 O ATOM 0 H ASP A 58 10.596 6.608 -1.819 1.00 9.11 H new ATOM 0 HA ASP A 58 12.033 8.687 -0.493 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.067 8.086 -1.298 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.464 9.646 -0.605 1.00 8.41 H new ATOM 927 N TYR A 59 9.804 7.014 1.276 1.00 7.97 N ATOM 928 CA TYR A 59 9.355 6.561 2.590 1.00 8.45 C ATOM 929 C TYR A 59 10.377 5.592 3.270 1.00 10.98 C ATOM 930 O TYR A 59 10.100 5.174 4.402 1.00 12.95 O ATOM 931 CB TYR A 59 7.978 5.879 2.385 1.00 7.94 C ATOM 932 CG TYR A 59 6.883 6.862 2.320 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.631 7.842 3.290 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.164 6.933 1.150 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.600 8.724 3.229 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.079 7.822 1.049 1.00 6.52 C ATOM 937 CZ TYR A 59 4.837 8.709 2.030 1.00 6.76 C ATOM 938 OH TYR A 59 3.712 9.608 1.959 1.00 7.63 O ATOM 0 H TYR A 59 9.533 6.362 0.540 1.00 7.97 H new ATOM 0 HA TYR A 59 9.273 7.411 3.267 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.996 5.294 1.465 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.793 5.182 3.203 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.298 7.899 4.138 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.432 6.308 0.311 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.373 9.397 4.043 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.438 7.792 0.180 1.00 6.52 H new ATOM 0 HH TYR A 59 3.754 10.119 1.124 1.00 7.63 H new ATOM 948 N ASN A 60 11.524 5.232 2.654 1.00 12.38 N ATOM 949 CA ASN A 60 12.447 4.206 3.079 1.00 13.94 C ATOM 950 C ASN A 60 11.912 2.957 3.640 1.00 14.16 C ATOM 951 O ASN A 60 12.225 2.523 4.768 1.00 14.26 O ATOM 952 CB ASN A 60 13.455 4.790 4.108 1.00 19.23 C ATOM 953 CG ASN A 60 14.383 5.790 3.494 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.390 6.979 3.860 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.358 5.296 2.692 1.00 24.09 N ATOM 0 H ASN A 60 11.831 5.690 1.796 1.00 12.38 H new ATOM 0 HA ASN A 60 12.895 3.907 2.132 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.906 5.261 4.923 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.037 3.978 4.543 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.116 5.902 2.378 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.334 4.318 2.403 1.00 24.09 H new ATOM 962 N ILE A 61 11.013 2.379 2.858 1.00 11.08 N ATOM 963 CA ILE A 61 10.281 1.176 3.059 1.00 11.78 C ATOM 964 C ILE A 61 11.143 0.069 2.388 1.00 13.74 C ATOM 965 O ILE A 61 11.401 0.150 1.192 1.00 14.60 O ATOM 966 CB ILE A 61 8.883 1.141 2.457 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.986 2.175 3.134 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.268 -0.254 2.638 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.628 2.345 2.486 1.00 11.42 C ATOM 0 H ILE A 61 10.763 2.808 1.967 1.00 11.08 H new ATOM 0 HA ILE A 61 10.114 1.053 4.129 1.00 11.78 H new ATOM 0 HB ILE A 61 8.960 1.373 1.395 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.844 1.889 4.176 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.498 3.137 3.135 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.268 -0.270 2.204 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.892 -0.994 2.138 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.207 -0.489 3.700 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.057 3.097 3.030 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.756 2.664 1.452 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.092 1.396 2.509 1.00 11.42 H new ATOM 981 N GLN A 62 11.525 -0.894 3.215 1.00 13.97 N ATOM 982 CA GLN A 62 12.450 -1.978 2.908 1.00 15.52 C ATOM 983 C GLN A 62 11.758 -3.284 2.462 1.00 13.94 C ATOM 984 O GLN A 62 10.581 -3.481 2.733 1.00 12.15 O ATOM 985 CB GLN A 62 13.408 -2.418 4.022 1.00 19.53 C ATOM 986 CG GLN A 62 14.208 -1.269 4.622 1.00 26.38 C ATOM 987 CD GLN A 62 14.844 -0.356 3.633 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.581 0.824 3.700 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.798 -0.837 2.792 1.00 32.71 N ATOM 0 H GLN A 62 11.178 -0.943 4.173 1.00 13.97 H new ATOM 0 HA GLN A 62 13.015 -1.498 2.109 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.836 -2.904 4.812 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.098 -3.162 3.625 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.548 -0.683 5.262 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.986 -1.684 5.262 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.994 -1.838 2.762 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.318 -0.197 2.192 1.00 32.71 H new ATOM 998 N LYS A 63 12.561 -4.243 1.918 1.00 11.73 N ATOM 999 CA LYS A 63 12.256 -5.633 1.707 1.00 11.97 C ATOM 1000 C LYS A 63 11.620 -6.319 2.935 1.00 10.41 C ATOM 1001 O LYS A 63 12.103 -6.133 4.058 1.00 9.59 O ATOM 1002 CB LYS A 63 13.439 -6.387 1.183 1.00 13.73 C ATOM 1003 CG LYS A 63 14.551 -6.689 2.188 1.00 16.98 C ATOM 1004 CD LYS A 63 15.684 -7.625 1.554 1.00 20.19 C ATOM 1005 CE LYS A 63 16.891 -7.863 2.475 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.441 -6.577 3.031 1.00 25.97 N ATOM 0 H LYS A 63 13.504 -4.016 1.602 1.00 11.73 H new ATOM 0 HA LYS A 63 11.487 -5.657 0.935 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.086 -7.332 0.769 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.869 -5.819 0.358 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.999 -5.755 2.527 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.126 -7.176 3.066 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.242 -8.588 1.296 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.033 -7.175 0.625 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.596 -8.516 3.297 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.673 -8.382 1.920 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.348 -6.763 3.505 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.588 -5.899 2.256 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.767 -6.179 3.716 1.00 25.97 H new ATOM 1020 N GLU A 64 10.522 -7.034 2.707 1.00 10.04 N ATOM 1021 CA GLU A 64 9.773 -7.769 3.718 1.00 10.94 C ATOM 1022 C GLU A 64 9.089 -6.983 4.827 1.00 9.74 C ATOM 1023 O GLU A 64 8.647 -7.512 5.851 1.00 9.42 O ATOM 1024 CB GLU A 64 10.606 -8.974 4.235 1.00 18.31 C ATOM 1025 CG GLU A 64 10.978 -9.945 3.063 1.00 24.16 C ATOM 1026 CD GLU A 64 11.565 -11.219 3.546 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.145 -11.801 4.575 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.475 -11.803 2.874 1.00 32.61 O ATOM 0 H GLU A 64 10.115 -7.120 1.776 1.00 10.04 H new ATOM 0 HA GLU A 64 8.895 -8.127 3.181 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.516 -8.613 4.715 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.039 -9.514 4.993 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.085 -10.160 2.476 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.686 -9.452 2.397 1.00 24.16 H new ATOM 1035 N SER A 65 9.069 -5.630 4.639 1.00 6.85 N ATOM 1036 CA SER A 65 8.286 -4.679 5.375 1.00 6.90 C ATOM 1037 C SER A 65 6.818 -5.057 5.341 1.00 4.72 C ATOM 1038 O SER A 65 6.342 -5.715 4.436 1.00 3.91 O ATOM 1039 CB SER A 65 8.427 -3.165 4.985 1.00 7.28 C ATOM 1040 OG SER A 65 7.970 -2.381 6.119 1.00 10.56 O ATOM 0 H SER A 65 9.642 -5.184 3.923 1.00 6.85 H new ATOM 0 HA SER A 65 8.711 -4.746 6.376 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.463 -2.925 4.745 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.834 -2.940 4.099 1.00 7.28 H new ATOM 0 HG SER A 65 8.046 -1.427 5.909 1.00 10.56 H new ATOM 1046 N THR A 66 6.110 -4.666 6.405 1.00 4.48 N ATOM 1047 CA THR A 66 4.693 -4.950 6.598 1.00 3.80 C ATOM 1048 C THR A 66 3.841 -3.734 6.667 1.00 4.60 C ATOM 1049 O THR A 66 4.030 -2.868 7.570 1.00 5.33 O ATOM 1050 CB THR A 66 4.361 -5.705 7.909 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.124 -6.895 7.986 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.896 -6.198 8.063 1.00 3.40 C ATOM 0 H THR A 66 6.520 -4.131 7.171 1.00 4.48 H new ATOM 0 HA THR A 66 4.480 -5.558 5.719 1.00 3.80 H new ATOM 0 HB THR A 66 4.572 -4.961 8.678 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.911 -7.367 8.818 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.783 -6.711 9.018 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.219 -5.344 8.028 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.656 -6.885 7.251 1.00 3.40 H new ATOM 1060 N LEU A 67 2.842 -3.574 5.791 1.00 4.17 N ATOM 1061 CA LEU A 67 2.126 -2.355 5.647 1.00 3.85 C ATOM 1062 C LEU A 67 0.757 -2.644 6.184 1.00 3.80 C ATOM 1063 O LEU A 67 0.311 -3.782 6.189 1.00 5.54 O ATOM 1064 CB LEU A 67 1.999 -1.961 4.145 1.00 7.18 C ATOM 1065 CG LEU A 67 3.309 -1.939 3.383 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.042 -1.440 1.982 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.334 -0.995 3.985 1.00 11.66 C ATOM 0 H LEU A 67 2.523 -4.314 5.165 1.00 4.17 H new ATOM 0 HA LEU A 67 2.629 -1.538 6.164 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.322 -2.661 3.656 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.540 -0.975 4.080 1.00 7.18 H new ATOM 0 HG LEU A 67 3.705 -2.954 3.413 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.975 -1.418 1.420 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.336 -2.106 1.487 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.622 -0.435 2.028 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.249 -1.026 3.393 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.937 0.020 3.987 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.553 -1.300 5.008 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.011 -1.613 6.572 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.401 -1.756 6.969 1.00 4.17 C ATOM 1081 C HIS A 68 -2.266 -1.053 5.899 1.00 5.32 C ATOM 1082 O HIS A 68 -1.827 -0.157 5.166 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.641 -1.182 8.408 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.285 -2.180 9.550 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.015 -2.479 9.853 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.033 -3.090 10.254 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.002 -3.478 10.796 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.218 -3.834 11.081 1.00 16.30 N ATOM 0 H HIS A 68 0.329 -0.652 6.616 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.680 -2.808 7.024 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.047 -0.276 8.531 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.688 -0.893 8.504 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.104 -3.206 10.172 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.888 -3.904 11.235 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.510 -4.523 11.774 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.503 -1.503 5.816 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.451 -1.006 4.848 1.00 3.97 C ATOM 1098 C LEU A 69 -5.783 -0.614 5.553 1.00 5.07 C ATOM 1099 O LEU A 69 -6.499 -1.448 6.115 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.772 -2.098 3.768 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.848 -1.687 2.735 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.559 -0.453 1.890 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.102 -2.872 1.821 1.00 9.96 C ATOM 0 H LEU A 69 -3.878 -2.230 6.425 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.006 -0.135 4.367 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.853 -2.346 3.237 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.101 -3.005 4.275 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.717 -1.401 3.327 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.391 -0.276 1.209 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.432 0.412 2.541 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.647 -0.611 1.315 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.858 -2.606 1.083 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.177 -3.143 1.312 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.453 -3.718 2.412 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.118 0.668 5.578 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.322 1.255 6.051 1.00 6.26 C ATOM 1117 C VAL A 70 -8.079 1.664 4.782 1.00 9.22 C ATOM 1118 O VAL A 70 -7.520 1.920 3.715 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.218 2.535 6.907 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.353 2.244 8.204 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.619 3.708 6.166 1.00 8.54 C ATOM 0 H VAL A 70 -5.475 1.378 5.228 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.779 0.515 6.708 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.239 2.811 7.172 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.282 3.150 8.805 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.828 1.457 8.789 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.353 1.925 7.910 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.576 4.573 6.828 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.612 3.454 5.836 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.236 3.944 5.299 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.381 1.635 4.790 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.225 1.857 3.616 1.00 16.06 C ATOM 1133 C LEU A 71 -10.977 3.142 3.873 1.00 18.09 C ATOM 1134 O LEU A 71 -11.753 3.280 4.793 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.156 0.672 3.308 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.393 -0.678 3.084 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.361 -1.863 3.083 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.615 -0.647 1.746 1.00 19.57 C ATOM 0 H LEU A 71 -9.918 1.451 5.637 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.613 1.940 2.718 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.861 0.550 4.131 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.742 0.902 2.418 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.689 -0.800 3.907 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.805 -2.787 2.926 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.879 -1.910 4.041 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.089 -1.737 2.282 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.091 -1.593 1.608 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.313 -0.495 0.923 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.892 0.169 1.764 1.00 19.57 H new