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 55 THR OG1 : rot -55:sc= 0.846 USER MOD Set 1.2: A 57 SER OG : rot -76:sc= 0.114 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.00677 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -135:sc= 0.97 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.843 USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.116) USER MOD Single : A 1 MET N :NH3+ -176:sc= 1.26 (180deg=1.16) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -149:sc= 1.17 (180deg=0.278) USER MOD Single : A 14 THR OG1 : rot -77:sc= 0.588 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc=-0.00919 K(o=-0.0092,f=-1.2) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 1.74 (180deg=1.51) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.936 K(o=-0.94,f=-1.7) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 41 GLN : amide:sc= 0.101 K(o=0.1,f=-2.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.299 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.31) USER MOD Single : A 63 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0261) USER MOD Single : A 65 SER OG : rot -126:sc= 0.677 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.0283 K(o=-0.028,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.967 -6.618 -5.173 1.00 9.67 N ATOM 2 CA MET A 1 11.651 -7.127 -3.811 1.00 10.38 C ATOM 3 C MET A 1 10.262 -7.583 -3.478 1.00 9.62 C ATOM 4 O MET A 1 9.355 -7.566 -4.286 1.00 9.62 O ATOM 5 CB MET A 1 12.239 -6.256 -2.651 1.00 13.77 C ATOM 6 CG MET A 1 11.568 -4.906 -2.402 1.00 16.29 C ATOM 7 SD MET A 1 12.621 -3.915 -1.271 1.00 17.17 S ATOM 8 CE MET A 1 11.106 -2.874 -0.958 1.00 16.11 C ATOM 0 H1 MET A 1 12.985 -6.414 -5.240 1.00 9.67 H new ATOM 0 H2 MET A 1 11.711 -7.336 -5.880 1.00 9.67 H new ATOM 0 H3 MET A 1 11.427 -5.748 -5.352 1.00 9.67 H new ATOM 0 HA MET A 1 12.189 -8.072 -3.887 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.189 -6.837 -1.730 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.294 -6.079 -2.859 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.426 -4.377 -3.344 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.580 -5.051 -1.966 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.387 -1.982 -0.398 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.663 -2.580 -1.910 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.381 -3.450 -0.383 1.00 16.11 H new ATOM 20 N GLN A 2 10.001 -8.038 -2.214 1.00 9.27 N ATOM 21 CA GLN A 2 8.779 -8.536 -1.740 1.00 9.07 C ATOM 22 C GLN A 2 8.385 -7.778 -0.484 1.00 8.72 C ATOM 23 O GLN A 2 9.284 -7.453 0.338 1.00 8.22 O ATOM 24 CB GLN A 2 8.887 -10.068 -1.485 1.00 14.46 C ATOM 25 CG GLN A 2 7.658 -10.698 -0.839 1.00 17.01 C ATOM 26 CD GLN A 2 7.726 -12.230 -0.884 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.338 -12.821 0.021 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.933 -12.879 -1.746 1.00 19.49 N ATOM 0 H GLN A 2 10.722 -8.044 -1.493 1.00 9.27 H new ATOM 0 HA GLN A 2 7.999 -8.387 -2.487 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.077 -10.568 -2.435 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.751 -10.256 -0.848 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.579 -10.366 0.196 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.759 -10.357 -1.353 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.445 -12.363 -2.478 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.817 -13.890 -1.671 1.00 19.49 H new ATOM 37 N ILE A 3 7.107 -7.503 -0.225 1.00 5.87 N ATOM 38 CA ILE A 3 6.647 -6.791 0.908 1.00 5.07 C ATOM 39 C ILE A 3 5.283 -7.409 1.307 1.00 4.01 C ATOM 40 O ILE A 3 4.701 -8.162 0.507 1.00 4.61 O ATOM 41 CB ILE A 3 6.456 -5.323 0.649 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.433 -4.947 -0.377 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.792 -4.596 0.445 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.117 -3.405 -0.418 1.00 10.83 C ATOM 0 H ILE A 3 6.351 -7.795 -0.844 1.00 5.87 H new ATOM 0 HA ILE A 3 7.397 -6.873 1.695 1.00 5.07 H new ATOM 0 HB ILE A 3 6.006 -4.962 1.574 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.783 -5.264 -1.360 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.511 -5.493 -0.176 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.606 -3.538 0.261 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.406 -4.706 1.339 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.314 -5.027 -0.410 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.368 -3.207 -1.185 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.736 -3.086 0.552 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.028 -2.853 -0.650 1.00 10.83 H new ATOM 56 N PHE A 4 4.666 -7.081 2.520 1.00 4.55 N ATOM 57 CA PHE A 4 3.376 -7.645 2.982 1.00 4.68 C ATOM 58 C PHE A 4 2.407 -6.585 3.356 1.00 5.30 C ATOM 59 O PHE A 4 2.774 -5.577 3.939 1.00 5.58 O ATOM 60 CB PHE A 4 3.551 -8.608 4.200 1.00 4.83 C ATOM 61 CG PHE A 4 4.425 -9.840 3.864 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.001 -10.874 3.048 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.723 -9.823 4.345 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.901 -11.863 2.619 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.601 -10.863 3.950 1.00 10.61 C ATOM 66 CZ PHE A 4 6.242 -11.848 3.016 1.00 8.90 C ATOM 0 H PHE A 4 5.072 -6.418 3.180 1.00 4.55 H new ATOM 0 HA PHE A 4 2.988 -8.209 2.134 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.003 -8.062 5.028 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.570 -8.944 4.537 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.968 -10.921 2.738 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.058 -9.037 5.005 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.550 -12.651 1.969 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.588 -10.899 4.386 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.961 -12.554 2.626 1.00 8.90 H new ATOM 76 N VAL A 5 1.136 -6.694 2.999 1.00 4.44 N ATOM 77 CA VAL A 5 0.088 -5.738 3.400 1.00 3.87 C ATOM 78 C VAL A 5 -0.918 -6.319 4.278 1.00 4.93 C ATOM 79 O VAL A 5 -1.595 -7.265 3.914 1.00 6.84 O ATOM 80 CB VAL A 5 -0.622 -5.022 2.292 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.904 -4.199 2.716 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.423 -4.168 1.477 1.00 9.13 C ATOM 0 H VAL A 5 0.788 -7.455 2.415 1.00 4.44 H new ATOM 0 HA VAL A 5 0.680 -4.995 3.933 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.050 -5.789 1.647 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.338 -3.722 1.837 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.637 -4.871 3.163 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.623 -3.435 3.441 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.087 -3.644 0.669 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.895 -3.442 2.139 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.184 -4.827 1.059 1.00 9.13 H new ATOM 92 N LYS A 6 -1.100 -5.835 5.529 1.00 6.04 N ATOM 93 CA LYS A 6 -2.168 -6.279 6.459 1.00 6.12 C ATOM 94 C LYS A 6 -3.483 -5.598 6.315 1.00 6.57 C ATOM 95 O LYS A 6 -3.617 -4.396 6.323 1.00 5.76 O ATOM 96 CB LYS A 6 -1.651 -6.248 7.919 1.00 7.45 C ATOM 97 CG LYS A 6 -2.230 -7.315 8.839 1.00 11.12 C ATOM 98 CD LYS A 6 -1.869 -8.809 8.378 1.00 14.54 C ATOM 99 CE LYS A 6 -2.384 -9.836 9.379 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.876 -11.132 8.931 1.00 20.55 N ATOM 0 H LYS A 6 -0.500 -5.113 5.928 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.392 -7.306 6.170 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.566 -6.354 7.905 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.870 -5.268 8.344 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.858 -7.154 9.851 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.314 -7.205 8.876 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.303 -9.004 7.397 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.789 -8.909 8.274 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.034 -9.608 10.386 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.473 -9.835 9.412 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.639 -11.838 8.975 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.535 -11.052 7.952 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.093 -11.430 9.547 1.00 20.55 H new ATOM 114 N THR A 7 -4.600 -6.366 6.305 1.00 7.41 N ATOM 115 CA THR A 7 -5.899 -5.666 6.065 1.00 7.48 C ATOM 116 C THR A 7 -6.802 -5.666 7.300 1.00 8.75 C ATOM 117 O THR A 7 -6.490 -6.334 8.283 1.00 8.58 O ATOM 118 CB THR A 7 -6.703 -6.163 4.847 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.303 -7.414 5.022 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.711 -6.293 3.618 1.00 9.17 C ATOM 0 H THR A 7 -4.642 -7.375 6.445 1.00 7.41 H new ATOM 0 HA THR A 7 -5.586 -4.647 5.836 1.00 7.48 H new ATOM 0 HB THR A 7 -7.501 -5.437 4.692 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.794 -7.658 4.210 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.259 -6.644 2.744 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.269 -5.320 3.403 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.922 -7.005 3.861 1.00 9.17 H new ATOM 128 N LEU A 8 -7.901 -4.840 7.274 1.00 9.84 N ATOM 129 CA LEU A 8 -8.852 -4.689 8.355 1.00 14.15 C ATOM 130 C LEU A 8 -9.583 -5.979 8.653 1.00 17.37 C ATOM 131 O LEU A 8 -10.079 -6.150 9.744 1.00 17.01 O ATOM 132 CB LEU A 8 -9.890 -3.617 8.051 1.00 16.63 C ATOM 133 CG LEU A 8 -9.355 -2.187 7.883 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.517 -1.238 7.346 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.652 -1.598 9.145 1.00 18.59 C ATOM 0 H LEU A 8 -8.126 -4.260 6.466 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.263 -4.395 9.224 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.415 -3.897 7.137 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.627 -3.615 8.854 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.557 -2.241 7.143 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.134 -0.224 7.228 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.872 -1.606 6.383 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.342 -1.233 8.059 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.308 -0.586 8.931 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.357 -1.573 9.976 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.799 -2.222 9.411 1.00 18.59 H new ATOM 147 N THR A 9 -9.642 -6.897 7.646 1.00 18.33 N ATOM 148 CA THR A 9 -10.329 -8.182 7.877 1.00 19.24 C ATOM 149 C THR A 9 -9.303 -9.276 8.252 1.00 19.48 C ATOM 150 O THR A 9 -9.513 -10.486 8.237 1.00 23.14 O ATOM 151 CB THR A 9 -11.131 -8.744 6.695 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.425 -8.704 5.472 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.313 -7.757 6.515 1.00 19.70 C ATOM 0 H THR A 9 -9.242 -6.774 6.716 1.00 18.33 H new ATOM 0 HA THR A 9 -11.035 -7.946 8.673 1.00 19.24 H new ATOM 0 HB THR A 9 -11.392 -9.781 6.908 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.985 -9.076 4.759 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.939 -8.087 5.686 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.906 -7.729 7.429 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.926 -6.760 6.303 1.00 19.70 H new ATOM 161 N GLY A 10 -8.114 -8.818 8.570 1.00 19.43 N ATOM 162 CA GLY A 10 -7.002 -9.644 8.993 1.00 18.74 C ATOM 163 C GLY A 10 -6.201 -10.299 7.992 1.00 17.62 C ATOM 164 O GLY A 10 -5.399 -11.163 8.432 1.00 19.74 O ATOM 0 H GLY A 10 -7.884 -7.825 8.541 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.337 -9.021 9.591 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.397 -10.415 9.655 1.00 18.74 H new ATOM 168 N LYS A 11 -6.403 -10.064 6.668 1.00 13.56 N ATOM 169 CA LYS A 11 -5.741 -10.788 5.561 1.00 11.91 C ATOM 170 C LYS A 11 -4.349 -10.206 5.309 1.00 10.18 C ATOM 171 O LYS A 11 -4.149 -9.038 5.556 1.00 9.10 O ATOM 172 CB LYS A 11 -6.533 -10.671 4.206 1.00 13.43 C ATOM 173 CG LYS A 11 -6.046 -11.591 3.065 1.00 16.69 C ATOM 174 CD LYS A 11 -6.991 -11.576 1.872 1.00 17.92 C ATOM 175 CE LYS A 11 -6.530 -12.541 0.731 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.540 -12.608 -0.327 1.00 21.93 N ATOM 0 H LYS A 11 -7.048 -9.346 6.338 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.696 -11.833 5.868 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.583 -10.888 4.400 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.479 -9.638 3.863 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.053 -11.275 2.744 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.951 -12.611 3.438 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.991 -11.859 2.201 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.060 -10.561 1.480 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.583 -12.196 0.316 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.355 -13.537 1.138 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.519 -13.550 -0.768 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.481 -12.437 0.080 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.338 -11.885 -1.046 1.00 21.93 H new ATOM 190 N THR A 12 -3.403 -11.038 4.831 1.00 9.63 N ATOM 191 CA THR A 12 -2.141 -10.600 4.320 1.00 9.85 C ATOM 192 C THR A 12 -2.144 -10.687 2.793 1.00 11.66 C ATOM 193 O THR A 12 -2.347 -11.788 2.317 1.00 12.33 O ATOM 194 CB THR A 12 -0.937 -11.340 4.851 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.806 -11.195 6.253 1.00 10.91 O ATOM 196 CG2 THR A 12 0.318 -10.807 4.212 1.00 9.63 C ATOM 0 H THR A 12 -3.522 -12.051 4.800 1.00 9.63 H new ATOM 0 HA THR A 12 -2.036 -9.573 4.668 1.00 9.85 H new ATOM 0 HB THR A 12 -1.080 -12.394 4.612 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.017 -11.689 6.561 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.182 -11.346 4.601 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.262 -10.942 3.132 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.420 -9.746 4.440 1.00 9.63 H new ATOM 204 N ILE A 13 -1.762 -9.566 2.098 1.00 10.42 N ATOM 205 CA ILE A 13 -1.554 -9.516 0.656 1.00 11.84 C ATOM 206 C ILE A 13 -0.016 -9.456 0.431 1.00 10.55 C ATOM 207 O ILE A 13 0.715 -8.611 0.937 1.00 11.92 O ATOM 208 CB ILE A 13 -2.143 -8.312 -0.067 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.523 -8.009 0.520 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.222 -8.723 -1.570 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.144 -6.844 -0.173 1.00 16.46 C ATOM 0 H ILE A 13 -1.594 -8.670 2.556 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.060 -10.391 0.249 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.545 -7.407 0.044 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.166 -8.883 0.421 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.433 -7.799 1.586 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.638 -7.900 -2.151 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.222 -8.956 -1.936 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.861 -9.600 -1.674 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.125 -6.644 0.259 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.508 -5.967 -0.051 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.253 -7.068 -1.234 1.00 16.46 H new ATOM 223 N THR A 14 0.522 -10.359 -0.341 1.00 9.39 N ATOM 224 CA THR A 14 1.962 -10.578 -0.501 1.00 9.63 C ATOM 225 C THR A 14 2.233 -10.092 -1.921 1.00 11.20 C ATOM 226 O THR A 14 1.698 -10.627 -2.880 1.00 11.63 O ATOM 227 CB THR A 14 2.346 -12.023 -0.372 1.00 10.38 C ATOM 228 OG1 THR A 14 2.092 -12.580 0.916 1.00 16.30 O ATOM 229 CG2 THR A 14 3.822 -12.221 -0.627 1.00 11.66 C ATOM 0 H THR A 14 -0.040 -10.996 -0.905 1.00 9.39 H new ATOM 0 HA THR A 14 2.536 -10.061 0.268 1.00 9.63 H new ATOM 0 HB THR A 14 1.726 -12.527 -1.113 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.788 -12.288 1.542 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.070 -13.278 -0.526 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.065 -11.886 -1.635 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.397 -11.643 0.096 1.00 11.66 H new ATOM 237 N LEU A 15 3.006 -9.022 -2.013 1.00 8.29 N ATOM 238 CA LEU A 15 3.161 -8.251 -3.255 1.00 9.03 C ATOM 239 C LEU A 15 4.719 -8.196 -3.606 1.00 8.59 C ATOM 240 O LEU A 15 5.649 -8.024 -2.824 1.00 7.79 O ATOM 241 CB LEU A 15 2.766 -6.808 -3.069 1.00 11.08 C ATOM 242 CG LEU A 15 1.351 -6.547 -2.576 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.230 -5.091 -2.211 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.202 -7.008 -3.477 1.00 15.27 C ATOM 0 H LEU A 15 3.549 -8.655 -1.231 1.00 8.29 H new ATOM 0 HA LEU A 15 2.543 -8.726 -4.017 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.462 -6.353 -2.364 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.895 -6.294 -4.022 1.00 11.08 H new ATOM 0 HG LEU A 15 1.222 -7.189 -1.705 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.220 -4.888 -1.855 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.946 -4.852 -1.425 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.436 -4.478 -3.088 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.750 -6.761 -3.007 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.272 -6.505 -4.442 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.265 -8.086 -3.624 1.00 15.27 H new ATOM 256 N GLU A 16 5.018 -8.316 -4.887 1.00 11.04 N ATOM 257 CA GLU A 16 6.356 -8.030 -5.419 1.00 11.50 C ATOM 258 C GLU A 16 6.427 -6.564 -5.840 1.00 10.13 C ATOM 259 O GLU A 16 5.496 -6.056 -6.487 1.00 9.83 O ATOM 260 CB GLU A 16 6.629 -8.889 -6.648 1.00 17.22 C ATOM 261 CG GLU A 16 8.175 -8.949 -7.014 1.00 23.33 C ATOM 262 CD GLU A 16 8.498 -9.522 -8.364 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.619 -10.030 -9.128 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.718 -9.531 -8.686 1.00 28.86 O ATOM 0 H GLU A 16 4.347 -8.614 -5.595 1.00 11.04 H new ATOM 0 HA GLU A 16 7.093 -8.247 -4.646 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.261 -9.900 -6.471 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.073 -8.491 -7.497 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.583 -7.940 -6.960 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.687 -9.541 -6.255 1.00 23.33 H new ATOM 271 N VAL A 17 7.572 -5.909 -5.635 1.00 8.99 N ATOM 272 CA VAL A 17 7.710 -4.511 -5.749 1.00 8.85 C ATOM 273 C VAL A 17 9.185 -4.155 -5.942 1.00 8.04 C ATOM 274 O VAL A 17 9.977 -4.797 -5.261 1.00 8.99 O ATOM 275 CB VAL A 17 7.135 -3.755 -4.548 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.623 -3.841 -4.478 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.647 -4.177 -3.182 1.00 10.54 C ATOM 0 H VAL A 17 8.439 -6.381 -5.378 1.00 8.99 H new ATOM 0 HA VAL A 17 7.132 -4.199 -6.619 1.00 8.85 H new ATOM 0 HB VAL A 17 7.483 -2.741 -4.745 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.267 -3.288 -3.609 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.192 -3.412 -5.382 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.322 -4.885 -4.393 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.169 -3.572 -2.411 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.413 -5.228 -3.015 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.727 -4.034 -3.138 1.00 10.54 H new ATOM 287 N GLU A 18 9.540 -3.078 -6.645 1.00 7.29 N ATOM 288 CA GLU A 18 10.844 -2.467 -6.582 1.00 7.08 C ATOM 289 C GLU A 18 10.824 -1.321 -5.522 1.00 6.45 C ATOM 290 O GLU A 18 9.741 -0.802 -5.260 1.00 5.28 O ATOM 291 CB GLU A 18 11.352 -1.913 -7.908 1.00 10.28 C ATOM 292 CG GLU A 18 11.641 -2.919 -9.009 1.00 12.65 C ATOM 293 CD GLU A 18 12.892 -3.693 -8.692 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.709 -4.743 -7.989 1.00 18.17 O ATOM 295 OE2 GLU A 18 14.033 -3.388 -9.171 1.00 14.33 O ATOM 0 H GLU A 18 8.904 -2.604 -7.286 1.00 7.29 H new ATOM 0 HA GLU A 18 11.535 -3.263 -6.305 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.615 -1.202 -8.283 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.266 -1.352 -7.713 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.799 -3.603 -9.117 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.756 -2.403 -9.962 1.00 12.65 H new ATOM 302 N PRO A 19 12.002 -0.794 -5.017 1.00 7.24 N ATOM 303 CA PRO A 19 11.990 0.339 -4.062 1.00 7.07 C ATOM 304 C PRO A 19 11.508 1.621 -4.745 1.00 6.65 C ATOM 305 O PRO A 19 11.053 2.546 -4.122 1.00 6.37 O ATOM 306 CB PRO A 19 13.417 0.377 -3.443 1.00 7.61 C ATOM 307 CG PRO A 19 14.057 -0.900 -3.857 1.00 8.16 C ATOM 308 CD PRO A 19 13.264 -1.472 -5.071 1.00 7.49 C ATOM 0 HA PRO A 19 11.274 0.225 -3.249 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.981 1.236 -3.807 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.373 0.461 -2.357 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.099 -0.732 -4.129 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.054 -1.612 -3.032 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.780 -1.278 -6.011 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.140 -2.552 -4.992 1.00 7.49 H new ATOM 316 N SER A 20 11.756 1.662 -6.075 1.00 6.80 N ATOM 317 CA SER A 20 11.498 2.791 -6.912 1.00 6.28 C ATOM 318 C SER A 20 10.108 2.815 -7.509 1.00 8.45 C ATOM 319 O SER A 20 9.733 3.741 -8.248 1.00 7.26 O ATOM 320 CB SER A 20 12.424 2.906 -8.100 1.00 8.57 C ATOM 321 OG SER A 20 13.816 2.808 -7.676 1.00 11.13 O ATOM 0 H SER A 20 12.153 0.871 -6.582 1.00 6.80 H new ATOM 0 HA SER A 20 11.645 3.613 -6.211 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.201 2.118 -8.820 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.258 3.857 -8.607 1.00 8.57 H new ATOM 0 HG SER A 20 14.402 2.883 -8.458 1.00 11.13 H new ATOM 327 N ASP A 21 9.237 1.862 -7.107 1.00 7.50 N ATOM 328 CA ASP A 21 7.909 1.849 -7.519 1.00 7.70 C ATOM 329 C ASP A 21 7.063 2.863 -6.733 1.00 7.08 C ATOM 330 O ASP A 21 7.265 3.083 -5.557 1.00 8.11 O ATOM 331 CB ASP A 21 7.281 0.400 -7.503 1.00 11.00 C ATOM 332 CG ASP A 21 7.702 -0.530 -8.610 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.712 -0.033 -9.768 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.960 -1.730 -8.356 1.00 18.03 O ATOM 0 H ASP A 21 9.487 1.096 -6.482 1.00 7.50 H new ATOM 0 HA ASP A 21 7.900 2.166 -8.562 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.530 -0.069 -6.551 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.196 0.499 -7.535 1.00 11.00 H new ATOM 339 N THR A 22 6.123 3.596 -7.329 1.00 5.37 N ATOM 340 CA THR A 22 5.171 4.381 -6.581 1.00 6.01 C ATOM 341 C THR A 22 4.157 3.604 -5.799 1.00 8.01 C ATOM 342 O THR A 22 3.805 2.478 -6.112 1.00 8.11 O ATOM 343 CB THR A 22 4.421 5.346 -7.499 1.00 8.92 C ATOM 344 OG1 THR A 22 3.664 4.787 -8.559 1.00 10.22 O ATOM 345 CG2 THR A 22 5.512 6.275 -8.188 1.00 9.65 C ATOM 0 H THR A 22 6.009 3.655 -8.341 1.00 5.37 H new ATOM 0 HA THR A 22 5.790 4.907 -5.854 1.00 6.01 H new ATOM 0 HB THR A 22 3.700 5.841 -6.848 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.234 5.505 -9.068 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.019 6.982 -8.855 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.061 6.821 -7.421 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.205 5.659 -8.761 1.00 9.65 H new ATOM 353 N ILE A 23 3.514 4.317 -4.853 1.00 8.32 N ATOM 354 CA ILE A 23 2.476 3.835 -3.952 1.00 9.92 C ATOM 355 C ILE A 23 1.186 3.479 -4.778 1.00 10.01 C ATOM 356 O ILE A 23 0.411 2.517 -4.559 1.00 8.71 O ATOM 357 CB ILE A 23 2.214 4.871 -2.865 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.464 5.107 -1.956 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.014 4.524 -2.041 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.919 3.864 -1.176 1.00 12.30 C ATOM 0 H ILE A 23 3.726 5.302 -4.697 1.00 8.32 H new ATOM 0 HA ILE A 23 2.801 2.923 -3.451 1.00 9.92 H new ATOM 0 HB ILE A 23 2.005 5.808 -3.381 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.290 5.455 -2.576 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.239 5.904 -1.248 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.863 5.288 -1.278 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.134 4.473 -2.683 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.169 3.558 -1.561 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.791 4.113 -0.571 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.111 3.526 -0.527 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.178 3.070 -1.876 1.00 12.30 H new ATOM 372 N GLU A 24 0.960 4.312 -5.811 1.00 9.54 N ATOM 373 CA GLU A 24 -0.095 4.055 -6.759 1.00 11.81 C ATOM 374 C GLU A 24 0.083 2.733 -7.462 1.00 11.14 C ATOM 375 O GLU A 24 -0.936 2.178 -7.928 1.00 10.62 O ATOM 376 CB GLU A 24 -0.113 5.212 -7.767 1.00 19.24 C ATOM 377 CG GLU A 24 -1.031 4.984 -8.919 1.00 27.76 C ATOM 378 CD GLU A 24 -0.963 6.091 -9.923 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.001 6.038 -10.802 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.788 7.027 -9.964 1.00 36.51 O ATOM 0 H GLU A 24 1.500 5.158 -5.994 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.046 3.992 -6.231 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.409 6.127 -7.253 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.897 5.371 -8.144 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.777 4.041 -9.403 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.054 4.889 -8.553 1.00 27.76 H new ATOM 387 N ASN A 25 1.337 2.218 -7.651 1.00 9.43 N ATOM 388 CA ASN A 25 1.566 0.890 -8.165 1.00 10.96 C ATOM 389 C ASN A 25 1.414 -0.162 -7.090 1.00 9.68 C ATOM 390 O ASN A 25 1.027 -1.312 -7.353 1.00 9.33 O ATOM 391 CB ASN A 25 2.969 0.706 -9.012 1.00 16.78 C ATOM 392 CG ASN A 25 2.800 1.260 -10.450 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.913 2.058 -10.682 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.534 0.724 -11.454 1.00 24.70 N ATOM 0 H ASN A 25 2.192 2.733 -7.443 1.00 9.43 H new ATOM 0 HA ASN A 25 0.778 0.739 -8.903 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.780 1.229 -8.505 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.244 -0.348 -9.050 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.346 0.989 -12.421 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.275 0.056 -11.243 1.00 24.70 H new ATOM 401 N VAL A 26 1.574 0.180 -5.822 1.00 6.52 N ATOM 402 CA VAL A 26 1.139 -0.764 -4.825 1.00 5.53 C ATOM 403 C VAL A 26 -0.372 -0.923 -4.825 1.00 4.42 C ATOM 404 O VAL A 26 -0.873 -2.038 -4.967 1.00 3.40 O ATOM 405 CB VAL A 26 1.693 -0.349 -3.462 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.462 -1.482 -2.434 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.201 -0.059 -3.600 1.00 8.12 C ATOM 0 H VAL A 26 1.978 1.052 -5.479 1.00 6.52 H new ATOM 0 HA VAL A 26 1.535 -1.751 -5.064 1.00 5.53 H new ATOM 0 HB VAL A 26 1.180 0.548 -3.114 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.859 -1.180 -1.465 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.394 -1.679 -2.343 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.970 -2.386 -2.769 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.604 0.238 -2.632 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.714 -0.956 -3.947 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.352 0.746 -4.319 1.00 8.12 H new ATOM 417 N LYS A 27 -1.151 0.210 -4.860 1.00 2.64 N ATOM 418 CA LYS A 27 -2.559 0.158 -4.983 1.00 4.14 C ATOM 419 C LYS A 27 -3.082 -0.580 -6.230 1.00 5.58 C ATOM 420 O LYS A 27 -4.047 -1.352 -6.133 1.00 4.11 O ATOM 421 CB LYS A 27 -3.288 1.486 -4.761 1.00 3.97 C ATOM 422 CG LYS A 27 -2.851 2.036 -3.422 1.00 7.45 C ATOM 423 CD LYS A 27 -3.514 3.405 -3.106 1.00 9.02 C ATOM 424 CE LYS A 27 -3.128 4.130 -1.840 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.828 5.442 -1.722 1.00 15.47 N ATOM 0 H LYS A 27 -0.774 1.156 -4.801 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.824 -0.469 -4.132 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.051 2.190 -5.559 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.368 1.337 -4.778 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.104 1.322 -2.638 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.767 2.149 -3.414 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.307 4.072 -3.943 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.593 3.250 -3.081 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.369 3.510 -0.977 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.050 4.290 -1.826 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.373 6.013 -0.981 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.774 5.947 -2.630 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.825 5.282 -1.473 1.00 15.47 H new ATOM 439 N ALA A 28 -2.381 -0.451 -7.415 1.00 6.61 N ATOM 440 CA ALA A 28 -2.743 -1.164 -8.655 1.00 7.74 C ATOM 441 C ALA A 28 -2.576 -2.689 -8.538 1.00 9.17 C ATOM 442 O ALA A 28 -3.284 -3.489 -9.129 1.00 11.45 O ATOM 443 CB ALA A 28 -2.020 -0.765 -9.931 1.00 7.68 C ATOM 0 H ALA A 28 -1.562 0.149 -7.514 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.784 -0.856 -8.752 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.386 -1.370 -10.761 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.206 0.288 -10.140 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.949 -0.927 -9.808 1.00 7.68 H new ATOM 449 N LYS A 29 -1.581 -3.117 -7.797 1.00 8.96 N ATOM 450 CA LYS A 29 -1.286 -4.506 -7.465 1.00 7.90 C ATOM 451 C LYS A 29 -2.290 -5.028 -6.423 1.00 6.92 C ATOM 452 O LYS A 29 -2.718 -6.148 -6.561 1.00 6.87 O ATOM 453 CB LYS A 29 0.234 -4.637 -6.994 1.00 10.28 C ATOM 454 CG LYS A 29 1.219 -4.514 -8.186 1.00 14.94 C ATOM 455 CD LYS A 29 2.671 -4.796 -7.815 1.00 19.69 C ATOM 456 CE LYS A 29 3.778 -4.380 -8.811 1.00 22.63 C ATOM 457 NZ LYS A 29 3.614 -5.076 -10.137 1.00 24.98 N ATOM 0 H LYS A 29 -0.910 -2.471 -7.381 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.401 -5.135 -8.347 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.455 -3.863 -6.259 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.380 -5.597 -6.500 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.913 -5.206 -8.971 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.148 -3.509 -8.602 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.874 -4.299 -6.866 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.767 -5.868 -7.640 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.749 -3.300 -8.959 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.755 -4.619 -8.392 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.372 -4.776 -10.783 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.666 -6.105 -9.998 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.691 -4.828 -10.547 1.00 24.98 H new ATOM 471 N ILE A 30 -2.739 -4.272 -5.412 1.00 4.57 N ATOM 472 CA ILE A 30 -3.825 -4.577 -4.460 1.00 5.58 C ATOM 473 C ILE A 30 -5.098 -4.801 -5.224 1.00 7.26 C ATOM 474 O ILE A 30 -5.950 -5.677 -4.934 1.00 9.46 O ATOM 475 CB ILE A 30 -3.869 -3.492 -3.431 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.669 -3.790 -2.519 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.199 -3.704 -2.577 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.496 -2.742 -1.475 1.00 2.00 C ATOM 0 H ILE A 30 -2.323 -3.361 -5.221 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.658 -5.502 -3.909 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.847 -2.487 -3.852 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.807 -4.760 -2.041 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.763 -3.857 -3.121 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.268 -2.930 -1.813 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.067 -3.644 -3.234 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.173 -4.684 -2.100 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.637 -2.989 -0.850 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.332 -1.776 -1.953 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.392 -2.693 -0.857 1.00 2.00 H new ATOM 490 N GLN A 31 -5.324 -3.949 -6.216 1.00 7.06 N ATOM 491 CA GLN A 31 -6.474 -4.055 -7.154 1.00 8.67 C ATOM 492 C GLN A 31 -6.435 -5.320 -7.985 1.00 10.90 C ATOM 493 O GLN A 31 -7.522 -5.924 -8.242 1.00 9.63 O ATOM 494 CB GLN A 31 -6.496 -2.765 -8.011 1.00 9.12 C ATOM 495 CG GLN A 31 -7.784 -2.686 -8.942 1.00 10.76 C ATOM 496 CD GLN A 31 -7.805 -1.291 -9.511 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.823 -0.567 -9.723 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.017 -0.770 -9.777 1.00 14.76 N ATOM 0 H GLN A 31 -4.718 -3.151 -6.408 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.406 -4.136 -6.594 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.469 -1.895 -7.356 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.599 -2.726 -8.630 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.736 -3.430 -9.737 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.690 -2.887 -8.371 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.857 -1.326 -9.619 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.095 0.181 -10.137 1.00 14.76 H new ATOM 507 N ASP A 32 -5.277 -5.774 -8.492 1.00 10.93 N ATOM 508 CA ASP A 32 -5.137 -7.065 -9.154 1.00 14.01 C ATOM 509 C ASP A 32 -5.486 -8.228 -8.216 1.00 14.04 C ATOM 510 O ASP A 32 -6.220 -9.161 -8.555 1.00 13.39 O ATOM 511 CB ASP A 32 -3.812 -7.002 -9.894 1.00 18.01 C ATOM 512 CG ASP A 32 -3.629 -8.049 -10.963 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.447 -8.146 -11.899 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.658 -8.870 -10.849 1.00 26.29 O ATOM 0 H ASP A 32 -4.407 -5.243 -8.449 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.871 -7.291 -9.927 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.715 -6.017 -10.351 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.003 -7.099 -9.169 1.00 18.01 H new ATOM 519 N LYS A 33 -4.955 -8.219 -6.932 1.00 14.22 N ATOM 520 CA LYS A 33 -5.207 -9.279 -5.944 1.00 14.00 C ATOM 521 C LYS A 33 -6.688 -9.281 -5.439 1.00 12.37 C ATOM 522 O LYS A 33 -7.457 -10.316 -5.535 1.00 12.17 O ATOM 523 CB LYS A 33 -4.310 -9.154 -4.737 1.00 18.62 C ATOM 524 CG LYS A 33 -2.875 -9.486 -5.046 1.00 24.00 C ATOM 525 CD LYS A 33 -2.433 -10.973 -5.003 1.00 27.61 C ATOM 526 CE LYS A 33 -0.937 -11.187 -5.233 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.703 -12.595 -5.630 1.00 30.06 N ATOM 0 H LYS A 33 -4.351 -7.473 -6.585 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.997 -10.211 -6.468 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.368 -8.137 -4.349 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.671 -9.816 -3.950 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.653 -9.103 -6.042 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.249 -8.934 -4.345 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.704 -11.394 -4.035 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.989 -11.528 -5.759 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.576 -10.513 -6.009 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.380 -10.955 -4.325 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.314 -12.747 -5.788 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.034 -13.228 -4.875 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.224 -12.800 -6.507 1.00 30.06 H new ATOM 541 N GLU A 34 -7.157 -8.084 -4.976 1.00 10.11 N ATOM 542 CA GLU A 34 -8.397 -8.035 -4.210 1.00 10.07 C ATOM 543 C GLU A 34 -9.425 -7.154 -4.877 1.00 9.32 C ATOM 544 O GLU A 34 -10.480 -6.996 -4.315 1.00 11.61 O ATOM 545 CB GLU A 34 -8.038 -7.383 -2.867 1.00 14.77 C ATOM 546 CG GLU A 34 -7.087 -8.218 -1.993 1.00 18.75 C ATOM 547 CD GLU A 34 -7.790 -9.430 -1.313 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.932 -10.512 -1.940 1.00 21.95 O ATOM 549 OE2 GLU A 34 -8.241 -9.298 -0.155 1.00 25.19 O ATOM 0 H GLU A 34 -6.701 -7.184 -5.123 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.812 -9.038 -4.115 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.579 -6.413 -3.058 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.956 -7.197 -2.310 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.263 -8.581 -2.607 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.654 -7.578 -1.224 1.00 18.75 H new ATOM 556 N GLY A 35 -9.187 -6.522 -6.031 1.00 7.22 N ATOM 557 CA GLY A 35 -10.144 -5.744 -6.769 1.00 6.29 C ATOM 558 C GLY A 35 -10.333 -4.404 -6.253 1.00 6.93 C ATOM 559 O GLY A 35 -11.245 -3.741 -6.715 1.00 7.41 O ATOM 0 H GLY A 35 -8.273 -6.551 -6.484 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.822 -5.681 -7.808 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.102 -6.264 -6.763 1.00 6.29 H new ATOM 563 N ILE A 36 -9.583 -3.937 -5.224 1.00 5.86 N ATOM 564 CA ILE A 36 -10.023 -2.728 -4.474 1.00 6.07 C ATOM 565 C ILE A 36 -9.615 -1.485 -5.275 1.00 6.36 C ATOM 566 O ILE A 36 -8.414 -1.318 -5.462 1.00 6.18 O ATOM 567 CB ILE A 36 -9.429 -2.708 -3.142 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.723 -3.982 -2.402 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.081 -1.493 -2.378 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.116 -4.087 -1.007 1.00 9.49 C ATOM 0 H ILE A 36 -8.709 -4.354 -4.903 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.106 -2.742 -4.348 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.345 -2.611 -3.210 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.804 -4.091 -2.318 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.364 -4.820 -2.999 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.669 -1.433 -1.371 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.866 -0.569 -2.914 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.160 -1.636 -2.320 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.389 -5.044 -0.562 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.031 -4.016 -1.076 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.494 -3.276 -0.384 1.00 9.49 H new ATOM 582 N PRO A 37 -10.414 -0.599 -5.843 1.00 8.65 N ATOM 583 CA PRO A 37 -10.029 0.634 -6.419 1.00 9.18 C ATOM 584 C PRO A 37 -8.921 1.415 -5.696 1.00 9.85 C ATOM 585 O PRO A 37 -9.081 1.611 -4.451 1.00 8.51 O ATOM 586 CB PRO A 37 -11.287 1.473 -6.482 1.00 11.42 C ATOM 587 CG PRO A 37 -12.388 0.425 -6.766 1.00 9.27 C ATOM 588 CD PRO A 37 -11.887 -0.715 -5.921 1.00 8.33 C ATOM 0 HA PRO A 37 -9.585 0.412 -7.390 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.466 2.003 -5.547 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.232 2.225 -7.269 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.377 0.767 -6.461 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.453 0.164 -7.822 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.328 -0.676 -4.925 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.173 -1.671 -6.359 1.00 8.33 H new ATOM 596 N PRO A 38 -7.859 2.073 -6.255 1.00 8.71 N ATOM 597 CA PRO A 38 -6.910 2.937 -5.545 1.00 9.08 C ATOM 598 C PRO A 38 -7.547 4.083 -4.759 1.00 9.28 C ATOM 599 O PRO A 38 -6.971 4.429 -3.718 1.00 6.50 O ATOM 600 CB PRO A 38 -5.903 3.321 -6.651 1.00 10.31 C ATOM 601 CG PRO A 38 -5.933 2.165 -7.633 1.00 10.81 C ATOM 602 CD PRO A 38 -7.418 1.720 -7.617 1.00 12.00 C ATOM 0 HA PRO A 38 -6.411 2.441 -4.713 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.186 4.256 -7.134 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.903 3.464 -6.241 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.617 2.475 -8.629 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.268 1.358 -7.325 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.002 2.239 -8.377 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.521 0.652 -7.810 1.00 12.00 H new ATOM 610 N ASP A 39 -8.756 4.568 -5.130 1.00 11.20 N ATOM 611 CA ASP A 39 -9.388 5.624 -4.340 1.00 14.96 C ATOM 612 C ASP A 39 -10.292 5.029 -3.211 1.00 13.99 C ATOM 613 O ASP A 39 -10.997 5.820 -2.615 1.00 13.75 O ATOM 614 CB ASP A 39 -10.279 6.517 -5.285 1.00 24.16 C ATOM 615 CG ASP A 39 -9.379 7.195 -6.241 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.517 8.020 -5.848 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.453 6.854 -7.474 1.00 35.55 O ATOM 0 H ASP A 39 -9.288 4.253 -5.941 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.600 6.218 -3.877 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.008 5.904 -5.815 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.840 7.248 -4.703 1.00 24.16 H new ATOM 622 N GLN A 40 -10.107 3.733 -2.845 1.00 11.60 N ATOM 623 CA GLN A 40 -10.700 3.121 -1.620 1.00 10.76 C ATOM 624 C GLN A 40 -9.690 2.526 -0.711 1.00 8.01 C ATOM 625 O GLN A 40 -9.976 1.732 0.146 1.00 8.96 O ATOM 626 CB GLN A 40 -11.656 2.096 -2.099 1.00 11.14 C ATOM 627 CG GLN A 40 -12.832 2.729 -2.842 1.00 14.85 C ATOM 628 CD GLN A 40 -13.780 1.733 -3.322 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.698 0.555 -2.966 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.762 2.241 -4.088 1.00 18.16 N ATOM 0 H GLN A 40 -9.543 3.081 -3.390 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.188 3.890 -1.021 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.141 1.397 -2.759 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.028 1.520 -1.252 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.345 3.427 -2.180 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.457 3.308 -3.686 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.754 3.230 -4.337 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.514 1.637 -4.419 1.00 18.16 H new ATOM 639 N GLN A 41 -8.434 2.973 -0.960 1.00 6.52 N ATOM 640 CA GLN A 41 -7.332 2.569 -0.184 1.00 3.87 C ATOM 641 C GLN A 41 -6.529 3.728 0.435 1.00 4.79 C ATOM 642 O GLN A 41 -6.266 4.732 -0.229 1.00 6.34 O ATOM 643 CB GLN A 41 -6.417 1.661 -1.093 1.00 4.20 C ATOM 644 CG GLN A 41 -7.046 0.339 -1.563 1.00 3.20 C ATOM 645 CD GLN A 41 -5.943 -0.221 -2.458 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.773 -0.299 -2.099 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.310 -0.507 -3.740 1.00 7.13 N ATOM 0 H GLN A 41 -8.202 3.621 -1.712 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.710 2.018 0.677 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.125 2.236 -1.972 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.504 1.432 -0.544 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.275 -0.325 -0.730 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.976 0.498 -2.109 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.289 -0.436 -4.018 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.606 -0.792 -4.421 1.00 7.13 H new ATOM 656 N ARG A 42 -6.080 3.593 1.649 1.00 5.73 N ATOM 657 CA ARG A 42 -5.113 4.380 2.388 1.00 6.97 C ATOM 658 C ARG A 42 -4.135 3.378 2.886 1.00 7.15 C ATOM 659 O ARG A 42 -4.472 2.443 3.597 1.00 7.33 O ATOM 660 CB ARG A 42 -5.694 5.125 3.662 1.00 13.23 C ATOM 661 CG ARG A 42 -6.612 6.294 3.285 1.00 21.27 C ATOM 662 CD ARG A 42 -7.026 7.191 4.422 1.00 26.14 C ATOM 663 NE ARG A 42 -7.880 8.354 3.789 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.142 8.671 4.085 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.943 7.905 4.878 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.720 9.699 3.589 1.00 36.39 N ATOM 0 H ARG A 42 -6.426 2.827 2.227 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.722 5.159 1.733 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.248 4.414 4.275 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.869 5.495 4.271 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.107 6.901 2.533 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.511 5.891 2.819 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.609 6.639 5.159 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.153 7.589 4.940 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.420 8.924 3.079 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.585 7.039 5.280 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.901 8.198 5.070 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.215 10.307 2.945 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.686 9.911 3.838 1.00 36.39 H new ATOM 680 N LEU A 43 -2.804 3.624 2.557 1.00 4.65 N ATOM 681 CA LEU A 43 -1.794 2.679 3.026 1.00 3.51 C ATOM 682 C LEU A 43 -0.963 3.289 4.181 1.00 5.56 C ATOM 683 O LEU A 43 -0.703 4.517 4.089 1.00 4.19 O ATOM 684 CB LEU A 43 -0.864 2.315 1.838 1.00 3.74 C ATOM 685 CG LEU A 43 -1.661 1.422 0.762 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.742 1.082 -0.349 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.287 0.169 1.456 1.00 6.41 C ATOM 0 H LEU A 43 -2.461 4.414 2.011 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.287 1.784 3.404 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.494 3.224 1.364 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.006 1.769 2.202 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.497 1.979 0.338 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.270 0.476 -1.086 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.386 1.998 -0.820 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.107 0.521 0.040 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.823 -0.426 0.717 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.496 -0.433 1.902 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.979 0.492 2.234 1.00 6.41 H new ATOM 699 N ILE A 44 -0.787 2.616 5.327 1.00 4.58 N ATOM 700 CA ILE A 44 -0.182 3.173 6.526 1.00 5.55 C ATOM 701 C ILE A 44 1.108 2.388 6.821 1.00 5.46 C ATOM 702 O ILE A 44 1.067 1.153 6.874 1.00 6.04 O ATOM 703 CB ILE A 44 -1.103 3.288 7.776 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.022 4.527 7.781 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.324 3.193 9.117 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.193 4.487 6.761 1.00 13.90 C ATOM 0 H ILE A 44 -1.072 1.643 5.439 1.00 4.58 H new ATOM 0 HA ILE A 44 0.034 4.219 6.309 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.752 2.416 7.693 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.437 4.647 8.782 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.416 5.410 7.579 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.022 3.280 9.950 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.189 2.233 9.172 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.408 3.999 9.171 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.779 5.402 6.844 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.793 4.402 5.751 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.830 3.628 6.972 1.00 13.90 H new ATOM 718 N PHE A 45 2.216 3.047 7.096 1.00 6.75 N ATOM 719 CA PHE A 45 3.444 2.381 7.496 1.00 4.70 C ATOM 720 C PHE A 45 3.922 3.196 8.687 1.00 6.34 C ATOM 721 O PHE A 45 4.036 4.386 8.460 1.00 5.45 O ATOM 722 CB PHE A 45 4.540 2.367 6.308 1.00 5.51 C ATOM 723 CG PHE A 45 5.643 1.461 6.596 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.490 0.095 6.735 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.892 2.037 6.853 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.580 -0.697 7.238 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.957 1.255 7.309 1.00 6.64 C ATOM 728 CZ PHE A 45 7.801 -0.134 7.486 1.00 6.84 C ATOM 0 H PHE A 45 2.292 4.063 7.049 1.00 6.75 H new ATOM 0 HA PHE A 45 3.287 1.330 7.738 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.060 2.070 5.375 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.928 3.375 6.160 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.556 -0.376 6.467 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.035 3.096 6.698 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.432 -1.751 7.422 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.907 1.719 7.527 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.631 -0.743 7.812 1.00 6.84 H new ATOM 738 N ALA A 46 4.239 2.654 9.870 1.00 6.53 N ATOM 739 CA ALA A 46 4.781 3.421 10.998 1.00 7.15 C ATOM 740 C ALA A 46 3.865 4.613 11.295 1.00 9.00 C ATOM 741 O ALA A 46 4.270 5.772 11.536 1.00 11.15 O ATOM 742 CB ALA A 46 6.240 3.856 10.777 1.00 8.99 C ATOM 0 H ALA A 46 4.125 1.661 10.072 1.00 6.53 H new ATOM 0 HA ALA A 46 4.804 2.768 11.870 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.587 4.419 11.643 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.866 2.974 10.643 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.302 4.483 9.888 1.00 8.99 H new ATOM 748 N GLY A 47 2.552 4.381 11.268 1.00 9.35 N ATOM 749 CA GLY A 47 1.525 5.375 11.461 1.00 11.68 C ATOM 750 C GLY A 47 1.379 6.404 10.388 1.00 11.14 C ATOM 751 O GLY A 47 0.482 7.252 10.528 1.00 13.93 O ATOM 0 H GLY A 47 2.171 3.450 11.103 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.570 4.861 11.572 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.721 5.889 12.402 1.00 11.68 H new ATOM 755 N LYS A 48 2.188 6.428 9.302 1.00 10.47 N ATOM 756 CA LYS A 48 2.114 7.489 8.385 1.00 8.82 C ATOM 757 C LYS A 48 1.369 6.998 7.248 1.00 7.68 C ATOM 758 O LYS A 48 1.582 5.888 6.790 1.00 6.47 O ATOM 759 CB LYS A 48 3.515 7.872 7.860 1.00 9.74 C ATOM 760 CG LYS A 48 4.388 8.285 9.069 1.00 14.14 C ATOM 761 CD LYS A 48 5.685 8.990 8.807 1.00 16.32 C ATOM 762 CE LYS A 48 6.534 8.987 10.086 1.00 20.04 C ATOM 763 NZ LYS A 48 7.807 9.691 9.777 1.00 23.92 N ATOM 0 H LYS A 48 2.879 5.712 9.078 1.00 10.47 H new ATOM 0 HA LYS A 48 1.660 8.354 8.869 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.967 7.031 7.334 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.442 8.692 7.146 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.784 8.928 9.709 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.610 7.384 9.641 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.224 8.496 7.999 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.496 10.014 8.485 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.006 9.487 10.898 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.730 7.966 10.414 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.409 9.708 10.625 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.302 9.192 9.010 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.601 10.666 9.479 1.00 23.92 H new ATOM 777 N GLN A 49 0.462 7.808 6.703 1.00 8.89 N ATOM 778 CA GLN A 49 -0.316 7.532 5.472 1.00 7.18 C ATOM 779 C GLN A 49 0.437 7.856 4.137 1.00 8.23 C ATOM 780 O GLN A 49 0.769 8.985 3.833 1.00 9.70 O ATOM 781 CB GLN A 49 -1.688 8.169 5.357 1.00 11.67 C ATOM 782 CG GLN A 49 -2.452 8.103 6.681 1.00 15.82 C ATOM 783 CD GLN A 49 -3.707 8.896 6.604 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.043 9.399 5.527 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.441 9.005 7.733 1.00 20.67 N ATOM 0 H GLN A 49 0.232 8.712 7.115 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.450 6.458 5.601 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.582 9.209 5.049 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.261 7.663 4.580 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.686 7.066 6.920 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.825 8.483 7.488 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.116 8.569 8.596 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.320 9.523 7.722 1.00 20.67 H new ATOM 794 N LEU A 50 0.613 6.848 3.266 1.00 6.51 N ATOM 795 CA LEU A 50 1.548 6.892 2.171 1.00 7.41 C ATOM 796 C LEU A 50 0.955 7.583 0.928 1.00 8.27 C ATOM 797 O LEU A 50 0.012 7.120 0.248 1.00 8.34 O ATOM 798 CB LEU A 50 2.049 5.480 1.672 1.00 7.13 C ATOM 799 CG LEU A 50 2.564 4.614 2.891 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.938 3.129 2.441 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.688 5.238 3.680 1.00 9.11 C ATOM 0 H LEU A 50 0.092 5.973 3.319 1.00 6.51 H new ATOM 0 HA LEU A 50 2.385 7.448 2.594 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.238 4.958 1.164 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.851 5.608 0.944 1.00 7.13 H new ATOM 0 HG LEU A 50 1.718 4.574 3.577 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.288 2.564 3.305 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.057 2.643 2.022 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.725 3.164 1.688 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.974 4.572 4.494 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.545 5.401 3.026 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.358 6.193 4.090 1.00 9.11 H new ATOM 813 N GLU A 51 1.466 8.803 0.569 1.00 9.43 N ATOM 814 CA GLU A 51 0.980 9.546 -0.593 1.00 11.90 C ATOM 815 C GLU A 51 1.167 8.849 -1.909 1.00 11.49 C ATOM 816 O GLU A 51 2.272 8.316 -2.079 1.00 9.88 O ATOM 817 CB GLU A 51 1.492 11.065 -0.594 1.00 16.56 C ATOM 818 CG GLU A 51 0.906 11.943 -1.752 1.00 26.06 C ATOM 819 CD GLU A 51 1.217 13.382 -1.409 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.832 13.829 -0.278 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.732 14.147 -2.257 1.00 33.44 O ATOM 0 H GLU A 51 2.212 9.274 1.080 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.103 9.581 -0.477 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.233 11.524 0.360 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.580 11.069 -0.665 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.351 11.669 -2.708 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.169 11.792 -1.846 1.00 26.06 H new ATOM 828 N ASP A 52 0.228 8.726 -2.818 1.00 12.71 N ATOM 829 CA ASP A 52 0.221 7.926 -4.078 1.00 16.56 C ATOM 830 C ASP A 52 1.348 8.179 -5.037 1.00 15.83 C ATOM 831 O ASP A 52 1.840 7.205 -5.561 1.00 17.21 O ATOM 832 CB ASP A 52 -1.109 8.225 -4.818 1.00 21.05 C ATOM 833 CG ASP A 52 -2.217 8.196 -3.804 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.810 7.122 -3.494 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.625 9.296 -3.374 1.00 28.37 O ATOM 0 H ASP A 52 -0.654 9.226 -2.706 1.00 12.71 H new ATOM 0 HA ASP A 52 0.339 6.889 -3.764 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.064 9.199 -5.306 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.286 7.485 -5.598 1.00 21.05 H new ATOM 840 N GLY A 53 1.768 9.430 -5.237 1.00 15.00 N ATOM 841 CA GLY A 53 2.945 9.836 -6.074 1.00 11.77 C ATOM 842 C GLY A 53 4.337 9.624 -5.512 1.00 11.10 C ATOM 843 O GLY A 53 5.325 9.893 -6.198 1.00 11.25 O ATOM 0 H GLY A 53 1.296 10.230 -4.815 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.883 9.296 -7.019 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.838 10.896 -6.305 1.00 11.77 H new ATOM 847 N ARG A 54 4.477 9.077 -4.336 1.00 8.53 N ATOM 848 CA ARG A 54 5.797 8.783 -3.717 1.00 9.05 C ATOM 849 C ARG A 54 6.182 7.405 -3.985 1.00 8.96 C ATOM 850 O ARG A 54 5.391 6.657 -4.498 1.00 11.60 O ATOM 851 CB ARG A 54 5.875 9.114 -2.265 1.00 7.97 C ATOM 852 CG ARG A 54 5.169 10.421 -1.858 1.00 9.62 C ATOM 853 CD ARG A 54 5.729 11.721 -2.498 1.00 12.20 C ATOM 854 NE ARG A 54 4.735 12.820 -2.247 1.00 18.23 N ATOM 855 CZ ARG A 54 4.985 13.766 -1.358 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.941 13.726 -0.419 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.171 14.856 -1.358 1.00 23.38 N ATOM 0 H ARG A 54 3.685 8.809 -3.751 1.00 8.53 H new ATOM 0 HA ARG A 54 6.519 9.449 -4.189 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.441 8.292 -1.696 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.925 9.181 -1.979 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.113 10.337 -2.117 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.225 10.519 -0.774 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.697 11.974 -2.065 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.885 11.584 -3.568 1.00 12.20 H new ATOM 0 HE ARG A 54 3.858 12.836 -2.768 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.553 12.913 -0.348 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.057 14.509 0.225 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.404 14.920 -2.027 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.328 15.610 -0.689 1.00 23.38 H new ATOM 871 N THR A 55 7.418 6.932 -3.672 1.00 9.05 N ATOM 872 CA THR A 55 7.807 5.613 -3.963 1.00 9.03 C ATOM 873 C THR A 55 8.142 4.960 -2.631 1.00 8.15 C ATOM 874 O THR A 55 8.343 5.661 -1.570 1.00 5.91 O ATOM 875 CB THR A 55 9.067 5.570 -4.868 1.00 11.15 C ATOM 876 OG1 THR A 55 10.151 6.247 -4.248 1.00 11.95 O ATOM 877 CG2 THR A 55 8.850 6.146 -6.290 1.00 11.71 C ATOM 0 H THR A 55 8.138 7.489 -3.212 1.00 9.05 H new ATOM 0 HA THR A 55 7.004 5.102 -4.494 1.00 9.03 H new ATOM 0 HB THR A 55 9.295 4.511 -4.991 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.877 7.158 -4.014 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.779 6.078 -6.856 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.073 5.576 -6.799 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.545 7.190 -6.217 1.00 11.71 H new ATOM 885 N LEU A 56 8.213 3.643 -2.565 1.00 6.91 N ATOM 886 CA LEU A 56 8.415 2.879 -1.375 1.00 8.29 C ATOM 887 C LEU A 56 9.685 3.219 -0.522 1.00 8.05 C ATOM 888 O LEU A 56 9.736 3.273 0.724 1.00 10.17 O ATOM 889 CB LEU A 56 8.328 1.358 -1.720 1.00 6.60 C ATOM 890 CG LEU A 56 6.938 1.013 -2.181 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.955 -0.246 -3.032 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.043 0.817 -0.941 1.00 8.64 C ATOM 0 H LEU A 56 8.125 3.057 -3.395 1.00 6.91 H new ATOM 0 HA LEU A 56 7.607 3.171 -0.704 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.050 1.112 -2.499 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.588 0.763 -0.845 1.00 6.60 H new ATOM 0 HG LEU A 56 6.543 1.822 -2.795 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.941 -0.480 -3.356 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.587 -0.086 -3.905 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.349 -1.076 -2.446 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.031 0.566 -1.259 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.442 0.008 -0.328 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.022 1.738 -0.358 1.00 8.64 H new ATOM 904 N SER A 57 10.792 3.540 -1.266 1.00 8.92 N ATOM 905 CA SER A 57 12.039 4.026 -0.681 1.00 9.00 C ATOM 906 C SER A 57 12.039 5.428 -0.080 1.00 9.44 C ATOM 907 O SER A 57 12.727 5.715 0.909 1.00 10.91 O ATOM 908 CB SER A 57 13.248 3.907 -1.677 1.00 10.32 C ATOM 909 OG SER A 57 13.059 4.644 -2.903 1.00 13.59 O ATOM 0 H SER A 57 10.821 3.461 -2.283 1.00 8.92 H new ATOM 0 HA SER A 57 12.150 3.350 0.167 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.152 4.264 -1.183 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.410 2.856 -1.916 1.00 10.32 H new ATOM 0 HG SER A 57 12.436 4.159 -3.483 1.00 13.59 H new ATOM 915 N ASP A 58 11.158 6.314 -0.563 1.00 9.11 N ATOM 916 CA ASP A 58 10.925 7.663 -0.015 1.00 7.91 C ATOM 917 C ASP A 58 10.416 7.595 1.449 1.00 9.12 C ATOM 918 O ASP A 58 10.818 8.356 2.351 1.00 8.61 O ATOM 919 CB ASP A 58 9.916 8.530 -0.762 1.00 8.41 C ATOM 920 CG ASP A 58 10.311 8.771 -2.228 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.521 9.072 -2.314 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.506 8.693 -3.147 1.00 11.70 O ATOM 0 H ASP A 58 10.569 6.109 -1.370 1.00 9.11 H new ATOM 0 HA ASP A 58 11.908 8.124 -0.112 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.937 8.052 -0.728 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.821 9.489 -0.253 1.00 8.41 H new ATOM 927 N TYR A 59 9.598 6.549 1.715 1.00 7.97 N ATOM 928 CA TYR A 59 9.108 6.249 3.069 1.00 8.45 C ATOM 929 C TYR A 59 9.945 5.192 3.754 1.00 10.98 C ATOM 930 O TYR A 59 9.614 4.613 4.803 1.00 12.95 O ATOM 931 CB TYR A 59 7.627 5.937 3.101 1.00 7.94 C ATOM 932 CG TYR A 59 6.786 7.107 2.686 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.672 8.236 3.557 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.013 7.126 1.527 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.737 9.269 3.209 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.056 8.116 1.164 1.00 6.52 C ATOM 937 CZ TYR A 59 5.012 9.193 1.998 1.00 6.76 C ATOM 938 OH TYR A 59 4.072 10.081 1.597 1.00 7.63 O ATOM 0 H TYR A 59 9.266 5.900 1.002 1.00 7.97 H new ATOM 0 HA TYR A 59 9.228 7.163 3.651 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.422 5.094 2.441 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.345 5.630 4.108 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.273 8.310 4.452 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.154 6.309 0.835 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.587 10.106 3.875 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.417 8.021 0.298 1.00 6.52 H new ATOM 0 HH TYR A 59 4.502 10.932 1.370 1.00 7.63 H new ATOM 948 N ASN A 60 11.134 4.940 3.215 1.00 12.38 N ATOM 949 CA ASN A 60 12.127 4.007 3.725 1.00 13.94 C ATOM 950 C ASN A 60 11.537 2.580 4.050 1.00 14.16 C ATOM 951 O ASN A 60 11.817 1.822 4.990 1.00 14.26 O ATOM 952 CB ASN A 60 12.953 4.465 4.966 1.00 19.23 C ATOM 953 CG ASN A 60 13.413 5.899 4.950 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.005 6.652 5.836 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.311 6.258 3.934 1.00 24.09 N ATOM 0 H ASN A 60 11.445 5.408 2.364 1.00 12.38 H new ATOM 0 HA ASN A 60 12.812 3.967 2.878 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.350 4.306 5.860 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.829 3.822 5.054 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.678 7.209 3.891 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.597 5.569 3.239 1.00 24.09 H new ATOM 962 N ILE A 61 10.765 2.033 3.086 1.00 11.08 N ATOM 963 CA ILE A 61 10.042 0.712 3.237 1.00 11.78 C ATOM 964 C ILE A 61 11.010 -0.405 2.750 1.00 13.74 C ATOM 965 O ILE A 61 11.627 -0.324 1.691 1.00 14.60 O ATOM 966 CB ILE A 61 8.632 0.610 2.643 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.715 1.628 3.332 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.039 -0.791 2.797 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.355 1.869 2.729 1.00 11.42 C ATOM 0 H ILE A 61 10.614 2.476 2.180 1.00 11.08 H new ATOM 0 HA ILE A 61 9.804 0.595 4.294 1.00 11.78 H new ATOM 0 HB ILE A 61 8.707 0.822 1.576 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.572 1.306 4.363 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.240 2.583 3.366 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.040 -0.813 2.361 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.674 -1.513 2.285 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.979 -1.046 3.855 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.821 2.611 3.322 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.469 2.233 1.708 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.790 0.937 2.721 1.00 11.42 H new ATOM 981 N GLN A 62 11.182 -1.495 3.540 1.00 13.97 N ATOM 982 CA GLN A 62 12.222 -2.477 3.281 1.00 15.52 C ATOM 983 C GLN A 62 11.641 -3.827 2.763 1.00 13.94 C ATOM 984 O GLN A 62 10.408 -4.012 2.795 1.00 12.15 O ATOM 985 CB GLN A 62 13.068 -2.734 4.565 1.00 19.53 C ATOM 986 CG GLN A 62 13.922 -1.452 4.892 1.00 26.38 C ATOM 987 CD GLN A 62 14.757 -0.908 3.732 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.701 -1.539 3.245 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.259 0.288 3.221 1.00 32.71 N ATOM 0 H GLN A 62 10.606 -1.700 4.356 1.00 13.97 H new ATOM 0 HA GLN A 62 12.859 -2.062 2.500 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.414 -2.973 5.404 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.723 -3.593 4.417 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.249 -0.665 5.234 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.590 -1.683 5.722 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.475 0.751 3.680 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.679 0.701 2.388 1.00 32.71 H new ATOM 998 N LYS A 63 12.498 -4.783 2.364 1.00 11.73 N ATOM 999 CA LYS A 63 12.003 -6.129 1.933 1.00 11.97 C ATOM 1000 C LYS A 63 11.482 -6.942 3.121 1.00 10.41 C ATOM 1001 O LYS A 63 12.031 -6.836 4.228 1.00 9.59 O ATOM 1002 CB LYS A 63 13.041 -7.015 1.119 1.00 13.73 C ATOM 1003 CG LYS A 63 14.440 -7.455 1.734 1.00 16.98 C ATOM 1004 CD LYS A 63 15.123 -8.491 0.805 1.00 20.19 C ATOM 1005 CE LYS A 63 16.551 -8.798 1.137 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.716 -9.269 2.479 1.00 25.97 N ATOM 0 H LYS A 63 13.511 -4.668 2.326 1.00 11.73 H new ATOM 0 HA LYS A 63 11.195 -5.891 1.241 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.520 -7.930 0.838 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.259 -6.476 0.197 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.083 -6.584 1.856 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.293 -7.884 2.725 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.551 -9.418 0.838 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.075 -8.124 -0.220 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.928 -9.550 0.443 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.154 -7.901 0.994 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.703 -9.562 2.625 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.479 -8.507 3.146 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.086 -10.080 2.642 1.00 25.97 H new ATOM 1020 N GLU A 64 10.341 -7.642 2.863 1.00 10.04 N ATOM 1021 CA GLU A 64 9.655 -8.359 3.892 1.00 10.94 C ATOM 1022 C GLU A 64 9.079 -7.660 5.091 1.00 9.74 C ATOM 1023 O GLU A 64 8.872 -8.259 6.200 1.00 9.42 O ATOM 1024 CB GLU A 64 10.482 -9.602 4.394 1.00 18.31 C ATOM 1025 CG GLU A 64 10.965 -10.385 3.142 1.00 24.16 C ATOM 1026 CD GLU A 64 11.523 -11.736 3.496 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.706 -12.625 3.870 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.710 -11.992 3.203 1.00 32.61 O ATOM 0 H GLU A 64 9.905 -7.704 1.943 1.00 10.04 H new ATOM 0 HA GLU A 64 8.762 -8.614 3.322 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.332 -9.278 4.994 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.867 -10.239 5.030 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.132 -10.508 2.449 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.728 -9.803 2.624 1.00 24.16 H new ATOM 1035 N SER A 65 8.590 -6.460 4.731 1.00 6.85 N ATOM 1036 CA SER A 65 8.043 -5.489 5.612 1.00 6.90 C ATOM 1037 C SER A 65 6.567 -5.463 5.531 1.00 4.72 C ATOM 1038 O SER A 65 5.921 -5.609 4.507 1.00 3.91 O ATOM 1039 CB SER A 65 8.506 -4.057 5.449 1.00 7.28 C ATOM 1040 OG SER A 65 8.385 -3.308 6.655 1.00 10.56 O ATOM 0 H SER A 65 8.579 -6.154 3.758 1.00 6.85 H new ATOM 0 HA SER A 65 8.421 -5.833 6.575 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.546 -4.049 5.122 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.921 -3.576 4.665 1.00 7.28 H new ATOM 0 HG SER A 65 7.862 -2.497 6.485 1.00 10.56 H new ATOM 1046 N THR A 66 5.922 -5.125 6.698 1.00 4.48 N ATOM 1047 CA THR A 66 4.463 -5.196 6.859 1.00 3.80 C ATOM 1048 C THR A 66 3.847 -3.826 6.918 1.00 4.60 C ATOM 1049 O THR A 66 4.152 -3.103 7.827 1.00 5.33 O ATOM 1050 CB THR A 66 3.923 -6.090 7.986 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.273 -7.433 7.846 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.412 -6.051 8.091 1.00 3.40 C ATOM 0 H THR A 66 6.411 -4.802 7.533 1.00 4.48 H new ATOM 0 HA THR A 66 4.147 -5.712 5.953 1.00 3.80 H new ATOM 0 HB THR A 66 4.385 -5.674 8.881 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.902 -7.947 8.593 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.087 -6.701 8.903 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.087 -5.030 8.291 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.973 -6.394 7.154 1.00 3.40 H new ATOM 1060 N LEU A 67 2.977 -3.476 5.998 1.00 4.17 N ATOM 1061 CA LEU A 67 2.409 -2.197 5.810 1.00 3.85 C ATOM 1062 C LEU A 67 0.873 -2.422 6.073 1.00 3.80 C ATOM 1063 O LEU A 67 0.358 -3.544 6.018 1.00 5.54 O ATOM 1064 CB LEU A 67 2.507 -1.734 4.308 1.00 7.18 C ATOM 1065 CG LEU A 67 3.815 -1.315 3.680 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.925 -2.317 4.047 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.702 -1.034 2.169 1.00 11.66 C ATOM 0 H LEU A 67 2.632 -4.149 5.314 1.00 4.17 H new ATOM 0 HA LEU A 67 2.906 -1.464 6.445 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.116 -2.551 3.702 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.821 -0.895 4.193 1.00 7.18 H new ATOM 0 HG LEU A 67 4.098 -0.351 4.102 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.863 -2.005 3.589 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.043 -2.349 5.130 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.655 -3.308 3.682 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.676 -0.738 1.780 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.365 -1.935 1.656 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.985 -0.231 2.001 1.00 11.66 H new ATOM 1079 N HIS A 68 0.054 -1.385 6.393 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.317 -1.628 6.765 1.00 4.17 C ATOM 1081 C HIS A 68 -2.180 -1.070 5.638 1.00 5.32 C ATOM 1082 O HIS A 68 -1.935 0.045 5.157 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.582 -0.967 8.095 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.585 -1.397 9.120 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.664 -0.862 9.211 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.637 -2.428 10.003 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.346 -1.641 10.161 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.574 -2.664 10.577 1.00 16.30 N ATOM 0 H HIS A 68 0.334 -0.404 6.394 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.545 -2.686 6.891 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.545 0.116 7.980 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.587 -1.217 8.434 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.029 -0.061 8.696 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.531 -2.992 10.223 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.350 -1.447 10.509 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.236 -1.742 5.238 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.223 -1.194 4.413 1.00 3.97 C ATOM 1098 C LEU A 69 -5.483 -0.886 5.278 1.00 5.07 C ATOM 1099 O LEU A 69 -5.964 -1.671 6.098 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.561 -2.120 3.174 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.862 -1.862 2.271 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.934 -0.481 1.658 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.995 -2.903 1.132 1.00 9.96 C ATOM 0 H LEU A 69 -3.413 -2.712 5.500 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.847 -0.266 3.982 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.699 -2.086 2.507 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.632 -3.141 3.550 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.688 -1.960 2.976 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.844 -0.393 1.065 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.943 0.268 2.449 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.067 -0.322 1.018 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.889 -2.690 0.547 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.118 -2.851 0.487 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.071 -3.903 1.560 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.983 0.381 5.101 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.158 0.936 5.733 1.00 6.26 C ATOM 1117 C VAL A 70 -8.070 1.352 4.598 1.00 9.22 C ATOM 1118 O VAL A 70 -7.680 2.094 3.685 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.877 2.049 6.640 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.135 2.584 7.282 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.865 1.632 7.753 1.00 8.54 C ATOM 0 H VAL A 70 -5.531 1.049 4.477 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.619 0.191 6.381 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.435 2.839 6.032 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.881 3.409 7.948 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.816 2.938 6.508 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.617 1.791 7.854 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.677 2.481 8.410 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.281 0.809 8.333 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.929 1.315 7.293 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.311 0.816 4.549 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.197 1.183 3.460 1.00 16.06 C ATOM 1133 C LEU A 71 -10.690 2.598 3.615 1.00 18.09 C ATOM 1134 O LEU A 71 -10.678 3.158 4.710 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.427 0.211 3.232 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.150 -1.248 3.000 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.405 -2.119 2.855 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.185 -1.483 1.806 1.00 19.57 C ATOM 0 H LEU A 71 -9.695 0.157 5.227 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.577 1.091 2.568 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.079 0.291 4.101 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.990 0.583 2.376 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.658 -1.573 3.916 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.111 -3.156 2.691 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.002 -2.051 3.764 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.994 -1.770 2.007 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.017 -2.552 1.679 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.626 -1.075 0.896 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.235 -0.987 2.003 1.00 19.57 H new