USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 7 THR OG1 : rot 144:sc= 1.9 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 1.04 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 175:sc= 0.00856 (180deg=-0.157) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.0731 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= 1.26 (180deg=1.16) USER MOD Single : A 2 GLN : amide:sc= -0.598 K(o=-0.6,f=-0.0021) USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 1.23 (180deg=0.987) USER MOD Single : A 14 THR OG1 : rot -88:sc= 0.263 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 25 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.031) USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= 1.23 (180deg=1.18) USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= 0.372 (180deg=0.217) USER MOD Single : A 31 GLN : amide:sc=-0.00507 K(o=-0.0051,f=-0.53) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00502 K(o=-0.005,f=-1.8!) USER MOD Single : A 41 GLN : amide:sc= 0.265 K(o=0.27,f=-5.3!) 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) USER MOD Single : A 55 THR OG1 : rot -67:sc= 0.18 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 15:sc= 0.621 USER MOD Single : A 60 ASN : amide:sc= -0.0311 X(o=-0.031,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.00399 X(o=-0.004,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= 1.3 (180deg=1.2) USER MOD Single : A 65 SER OG : rot 96:sc= 0.933 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.772 K(o=0.77,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.635 -7.049 -4.871 1.00 9.67 N ATOM 2 CA MET A 1 11.576 -7.550 -3.481 1.00 10.38 C ATOM 3 C MET A 1 10.211 -7.847 -3.004 1.00 9.62 C ATOM 4 O MET A 1 9.188 -7.669 -3.637 1.00 9.62 O ATOM 5 CB MET A 1 12.361 -6.565 -2.577 1.00 13.77 C ATOM 6 CG MET A 1 11.703 -5.173 -2.512 1.00 16.29 C ATOM 7 SD MET A 1 12.633 -3.983 -1.413 1.00 17.17 S ATOM 8 CE MET A 1 11.527 -2.594 -1.571 1.00 16.11 C ATOM 0 H1 MET A 1 12.619 -6.816 -5.115 1.00 9.67 H new ATOM 0 H2 MET A 1 11.282 -7.782 -5.519 1.00 9.67 H new ATOM 0 H3 MET A 1 11.046 -6.197 -4.958 1.00 9.67 H new ATOM 0 HA MET A 1 12.055 -8.528 -3.438 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.431 -6.978 -1.571 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.379 -6.465 -2.952 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.641 -4.758 -3.518 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.681 -5.276 -2.146 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.905 -1.759 -0.981 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.462 -2.298 -2.618 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.537 -2.874 -1.211 1.00 16.11 H new ATOM 20 N GLN A 2 10.149 -8.460 -1.820 1.00 9.27 N ATOM 21 CA GLN A 2 8.996 -8.910 -1.062 1.00 9.07 C ATOM 22 C GLN A 2 8.555 -7.849 -0.149 1.00 8.72 C ATOM 23 O GLN A 2 9.332 -7.193 0.497 1.00 8.22 O ATOM 24 CB GLN A 2 9.325 -10.168 -0.238 1.00 14.46 C ATOM 25 CG GLN A 2 8.213 -10.910 0.456 1.00 17.01 C ATOM 26 CD GLN A 2 8.672 -12.316 0.875 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.147 -13.350 0.433 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.871 -12.410 1.548 1.00 19.49 N ATOM 0 H GLN A 2 11.010 -8.674 -1.318 1.00 9.27 H new ATOM 0 HA GLN A 2 8.205 -9.151 -1.772 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.823 -10.873 -0.903 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.051 -9.880 0.523 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.890 -10.351 1.334 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.352 -10.987 -0.207 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.316 -11.570 1.917 1.00 19.49 H new ATOM 0 HE22 GLN A 2 10.314 -13.320 1.677 1.00 19.49 H new ATOM 37 N ILE A 3 7.227 -7.655 -0.036 1.00 5.87 N ATOM 38 CA ILE A 3 6.518 -6.799 0.929 1.00 5.07 C ATOM 39 C ILE A 3 5.299 -7.586 1.380 1.00 4.01 C ATOM 40 O ILE A 3 4.947 -8.648 0.793 1.00 4.61 O ATOM 41 CB ILE A 3 6.143 -5.415 0.365 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.349 -5.565 -0.932 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.376 -4.541 0.124 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.561 -4.317 -1.315 1.00 10.83 C ATOM 0 H ILE A 3 6.576 -8.128 -0.663 1.00 5.87 H new ATOM 0 HA ILE A 3 7.172 -6.566 1.769 1.00 5.07 H new ATOM 0 HB ILE A 3 5.525 -4.918 1.113 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.035 -5.813 -1.741 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.659 -6.403 -0.831 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.065 -3.575 -0.274 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.906 -4.393 1.065 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.036 -5.032 -0.591 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.023 -4.498 -2.245 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.849 -4.079 -0.524 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.247 -3.481 -1.449 1.00 10.83 H new ATOM 56 N PHE A 4 4.615 -7.135 2.435 1.00 4.55 N ATOM 57 CA PHE A 4 3.487 -7.819 3.017 1.00 4.68 C ATOM 58 C PHE A 4 2.499 -6.753 3.282 1.00 5.30 C ATOM 59 O PHE A 4 2.844 -5.668 3.713 1.00 5.58 O ATOM 60 CB PHE A 4 3.817 -8.429 4.419 1.00 4.83 C ATOM 61 CG PHE A 4 4.781 -9.518 4.195 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.279 -10.788 3.915 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.173 -9.320 4.235 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.139 -11.859 3.702 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.014 -10.371 4.031 1.00 10.61 C ATOM 66 CZ PHE A 4 6.505 -11.654 3.742 1.00 8.90 C ATOM 0 H PHE A 4 4.846 -6.262 2.910 1.00 4.55 H new ATOM 0 HA PHE A 4 3.165 -8.619 2.350 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.237 -7.671 5.081 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.914 -8.806 4.899 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.211 -10.941 3.863 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.574 -8.336 4.427 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.742 -12.844 3.507 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.082 -10.221 4.091 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.181 -12.474 3.552 1.00 8.90 H new ATOM 76 N VAL A 5 1.212 -6.987 2.936 1.00 4.44 N ATOM 77 CA VAL A 5 0.155 -6.028 3.144 1.00 3.87 C ATOM 78 C VAL A 5 -0.921 -6.633 4.074 1.00 4.93 C ATOM 79 O VAL A 5 -1.346 -7.749 3.879 1.00 6.84 O ATOM 80 CB VAL A 5 -0.457 -5.613 1.756 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.662 -4.668 2.018 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.606 -4.886 0.982 1.00 9.13 C ATOM 0 H VAL A 5 0.899 -7.856 2.504 1.00 4.44 H new ATOM 0 HA VAL A 5 0.553 -5.134 3.624 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.794 -6.483 1.193 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.102 -4.367 1.067 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.410 -5.189 2.615 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.320 -3.783 2.555 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.209 -4.585 0.012 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.919 -4.001 1.536 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.463 -5.543 0.835 1.00 9.13 H new ATOM 92 N LYS A 6 -1.222 -5.895 5.195 1.00 6.04 N ATOM 93 CA LYS A 6 -2.031 -6.376 6.284 1.00 6.12 C ATOM 94 C LYS A 6 -3.297 -5.530 6.487 1.00 6.57 C ATOM 95 O LYS A 6 -3.339 -4.317 6.551 1.00 5.76 O ATOM 96 CB LYS A 6 -1.220 -6.606 7.618 1.00 7.45 C ATOM 97 CG LYS A 6 -1.918 -7.626 8.477 1.00 11.12 C ATOM 98 CD LYS A 6 -1.337 -7.533 9.951 1.00 14.54 C ATOM 99 CE LYS A 6 -1.807 -8.647 10.898 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.318 -9.971 10.377 1.00 20.55 N ATOM 0 H LYS A 6 -0.887 -4.941 5.333 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.369 -7.369 5.987 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.210 -6.944 7.385 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.124 -5.666 8.161 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.993 -7.444 8.482 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.766 -8.627 8.074 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.248 -7.554 9.900 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.618 -6.570 10.377 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.424 -8.473 11.903 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.895 -8.648 10.967 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.559 -10.721 11.056 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.771 -10.173 9.463 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.286 -9.935 10.252 1.00 20.55 H new ATOM 114 N THR A 7 -4.484 -6.146 6.485 1.00 7.41 N ATOM 115 CA THR A 7 -5.775 -5.516 6.737 1.00 7.48 C ATOM 116 C THR A 7 -6.240 -5.336 8.236 1.00 8.75 C ATOM 117 O THR A 7 -5.671 -5.886 9.147 1.00 8.58 O ATOM 118 CB THR A 7 -6.972 -6.208 5.926 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.169 -7.503 6.466 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.708 -6.328 4.414 1.00 9.17 C ATOM 0 H THR A 7 -4.570 -7.145 6.298 1.00 7.41 H new ATOM 0 HA THR A 7 -5.566 -4.510 6.374 1.00 7.48 H new ATOM 0 HB THR A 7 -7.853 -5.575 6.033 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.125 -7.719 6.458 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.561 -6.806 3.932 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.562 -5.334 3.990 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.814 -6.929 4.247 1.00 9.17 H new ATOM 128 N LEU A 8 -7.337 -4.611 8.492 1.00 9.84 N ATOM 129 CA LEU A 8 -7.989 -4.439 9.755 1.00 14.15 C ATOM 130 C LEU A 8 -8.850 -5.611 10.105 1.00 17.37 C ATOM 131 O LEU A 8 -9.270 -5.868 11.202 1.00 17.01 O ATOM 132 CB LEU A 8 -8.969 -3.238 9.871 1.00 16.63 C ATOM 133 CG LEU A 8 -8.435 -1.811 9.680 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.566 -0.738 9.581 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.374 -1.513 10.696 1.00 18.59 C ATOM 0 H LEU A 8 -7.812 -4.098 7.750 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.131 -4.289 10.410 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.763 -3.391 9.140 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.430 -3.286 10.857 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.954 -1.753 8.704 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.121 0.248 9.447 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.209 -0.965 8.731 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.158 -0.748 10.496 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.004 -0.498 10.549 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.794 -1.605 11.698 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.552 -2.219 10.581 1.00 18.59 H new ATOM 147 N THR A 9 -9.090 -6.444 9.091 1.00 18.33 N ATOM 148 CA THR A 9 -9.975 -7.608 9.104 1.00 19.24 C ATOM 149 C THR A 9 -9.141 -8.915 9.359 1.00 19.48 C ATOM 150 O THR A 9 -9.573 -10.078 9.259 1.00 23.14 O ATOM 151 CB THR A 9 -10.722 -7.756 7.738 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.862 -7.516 6.587 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.747 -6.590 7.777 1.00 19.70 C ATOM 0 H THR A 9 -8.644 -6.315 8.183 1.00 18.33 H new ATOM 0 HA THR A 9 -10.704 -7.464 9.901 1.00 19.24 H new ATOM 0 HB THR A 9 -11.128 -8.762 7.630 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.381 -7.624 5.763 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.336 -6.592 6.860 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.409 -6.716 8.634 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.216 -5.642 7.865 1.00 19.70 H new ATOM 161 N GLY A 10 -7.886 -8.742 9.740 1.00 19.43 N ATOM 162 CA GLY A 10 -6.988 -9.860 10.058 1.00 18.74 C ATOM 163 C GLY A 10 -6.376 -10.576 8.878 1.00 17.62 C ATOM 164 O GLY A 10 -5.855 -11.687 9.118 1.00 19.74 O ATOM 0 H GLY A 10 -7.453 -7.824 9.840 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.181 -9.484 10.687 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.542 -10.587 10.651 1.00 18.74 H new ATOM 168 N LYS A 11 -6.455 -10.025 7.650 1.00 13.56 N ATOM 169 CA LYS A 11 -5.816 -10.667 6.459 1.00 11.91 C ATOM 170 C LYS A 11 -4.334 -10.203 6.141 1.00 10.18 C ATOM 171 O LYS A 11 -4.023 -9.018 6.243 1.00 9.10 O ATOM 172 CB LYS A 11 -6.674 -10.482 5.194 1.00 13.43 C ATOM 173 CG LYS A 11 -6.291 -11.412 3.994 1.00 16.69 C ATOM 174 CD LYS A 11 -7.272 -11.278 2.843 1.00 17.92 C ATOM 175 CE LYS A 11 -7.043 -12.273 1.678 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.019 -12.090 0.617 1.00 21.93 N ATOM 0 H LYS A 11 -6.943 -9.153 7.447 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.754 -11.718 6.741 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.718 -10.658 5.452 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.597 -9.444 4.869 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.288 -11.164 3.648 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.265 -12.448 4.331 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.283 -11.416 3.227 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.215 -10.262 2.452 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.039 -12.138 1.276 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.101 -13.294 2.054 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.703 -12.595 -0.236 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.939 -12.468 0.922 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.114 -11.077 0.404 1.00 21.93 H new ATOM 190 N THR A 12 -3.439 -11.127 5.730 1.00 9.63 N ATOM 191 CA THR A 12 -2.126 -10.693 5.269 1.00 9.85 C ATOM 192 C THR A 12 -1.940 -11.200 3.866 1.00 11.66 C ATOM 193 O THR A 12 -2.022 -12.387 3.598 1.00 12.33 O ATOM 194 CB THR A 12 -0.971 -11.299 6.098 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.095 -11.033 7.493 1.00 10.91 O ATOM 196 CG2 THR A 12 0.404 -10.783 5.671 1.00 9.63 C ATOM 0 H THR A 12 -3.601 -12.134 5.711 1.00 9.63 H new ATOM 0 HA THR A 12 -2.095 -9.607 5.354 1.00 9.85 H new ATOM 0 HB THR A 12 -1.047 -12.370 5.908 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.342 -11.439 7.972 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.174 -11.244 6.289 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.579 -11.036 4.625 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.441 -9.701 5.794 1.00 9.63 H new ATOM 204 N ILE A 13 -1.638 -10.305 2.966 1.00 10.42 N ATOM 205 CA ILE A 13 -1.264 -10.693 1.575 1.00 11.84 C ATOM 206 C ILE A 13 0.146 -10.401 1.296 1.00 10.55 C ATOM 207 O ILE A 13 0.745 -9.395 1.721 1.00 11.92 O ATOM 208 CB ILE A 13 -2.185 -10.175 0.440 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.281 -8.621 0.290 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.520 -10.858 0.600 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.135 -8.155 -0.935 1.00 16.46 C ATOM 0 H ILE A 13 -1.635 -9.300 3.140 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.423 -11.771 1.561 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.731 -10.441 -0.515 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.711 -8.204 1.200 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.275 -8.212 0.196 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.198 -10.519 -0.183 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.388 -11.937 0.523 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.940 -10.612 1.575 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.154 -7.066 -0.972 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.694 -8.541 -1.854 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.152 -8.533 -0.834 1.00 16.46 H new ATOM 223 N THR A 14 0.849 -11.334 0.612 1.00 9.39 N ATOM 224 CA THR A 14 2.211 -11.019 0.144 1.00 9.63 C ATOM 225 C THR A 14 2.196 -10.537 -1.307 1.00 11.20 C ATOM 226 O THR A 14 1.620 -11.173 -2.183 1.00 11.63 O ATOM 227 CB THR A 14 3.062 -12.279 0.128 1.00 10.38 C ATOM 228 OG1 THR A 14 2.877 -12.996 1.345 1.00 16.30 O ATOM 229 CG2 THR A 14 4.577 -11.944 0.082 1.00 11.66 C ATOM 0 H THR A 14 0.512 -12.269 0.382 1.00 9.39 H new ATOM 0 HA THR A 14 2.603 -10.257 0.817 1.00 9.63 H new ATOM 0 HB THR A 14 2.760 -12.849 -0.751 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.518 -12.676 2.014 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.154 -12.869 0.072 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.796 -11.370 -0.818 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.847 -11.358 0.960 1.00 11.66 H new ATOM 237 N LEU A 15 2.818 -9.377 -1.577 1.00 8.29 N ATOM 238 CA LEU A 15 2.901 -8.790 -2.889 1.00 9.03 C ATOM 239 C LEU A 15 4.312 -8.434 -3.197 1.00 8.59 C ATOM 240 O LEU A 15 5.147 -8.534 -2.276 1.00 7.79 O ATOM 241 CB LEU A 15 2.064 -7.480 -2.829 1.00 11.08 C ATOM 242 CG LEU A 15 0.538 -7.617 -2.630 1.00 15.79 C ATOM 243 CD1 LEU A 15 -0.125 -6.272 -2.471 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.221 -8.389 -3.706 1.00 15.27 C ATOM 0 H LEU A 15 3.283 -8.822 -0.858 1.00 8.29 H new ATOM 0 HA LEU A 15 2.539 -9.481 -3.651 1.00 9.03 H new ATOM 0 HB2 LEU A 15 2.455 -6.868 -2.017 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.234 -6.929 -3.754 1.00 11.08 H new ATOM 0 HG LEU A 15 0.474 -8.211 -1.718 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -1.198 -6.409 -2.333 1.00 15.88 H new ATOM 0 HD12 LEU A 15 0.290 -5.762 -1.602 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.052 -5.671 -3.363 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -1.281 -8.416 -3.455 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.089 -7.896 -4.669 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.165 -9.407 -3.764 1.00 15.27 H new ATOM 256 N GLU A 16 4.641 -7.966 -4.438 1.00 11.04 N ATOM 257 CA GLU A 16 5.960 -7.947 -4.976 1.00 11.50 C ATOM 258 C GLU A 16 6.184 -6.672 -5.740 1.00 10.13 C ATOM 259 O GLU A 16 5.447 -6.342 -6.652 1.00 9.83 O ATOM 260 CB GLU A 16 6.238 -9.173 -5.859 1.00 17.22 C ATOM 261 CG GLU A 16 7.683 -9.363 -5.940 1.00 23.33 C ATOM 262 CD GLU A 16 8.019 -10.582 -6.730 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.395 -10.884 -7.802 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.024 -11.252 -6.353 1.00 28.90 O ATOM 0 H GLU A 16 3.945 -7.588 -5.081 1.00 11.04 H new ATOM 0 HA GLU A 16 6.663 -7.990 -4.144 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.762 -10.059 -5.439 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.818 -9.027 -6.854 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.143 -8.489 -6.401 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.099 -9.450 -4.936 1.00 23.33 H new ATOM 271 N VAL A 17 7.238 -5.991 -5.346 1.00 8.99 N ATOM 272 CA VAL A 17 7.501 -4.635 -5.786 1.00 8.85 C ATOM 273 C VAL A 17 8.988 -4.426 -5.986 1.00 8.04 C ATOM 274 O VAL A 17 9.829 -5.220 -5.510 1.00 8.99 O ATOM 275 CB VAL A 17 7.097 -3.577 -4.717 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.592 -3.599 -4.622 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.718 -3.845 -3.302 1.00 10.54 C ATOM 0 H VAL A 17 7.941 -6.363 -4.708 1.00 8.99 H new ATOM 0 HA VAL A 17 6.924 -4.509 -6.702 1.00 8.85 H new ATOM 0 HB VAL A 17 7.481 -2.606 -5.030 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.263 -2.870 -3.881 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.163 -3.349 -5.592 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.261 -4.594 -4.324 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.393 -3.069 -2.609 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.387 -4.818 -2.938 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.806 -3.835 -3.374 1.00 10.54 H new ATOM 287 N GLU A 18 9.371 -3.365 -6.646 1.00 7.29 N ATOM 288 CA GLU A 18 10.656 -2.741 -6.717 1.00 7.08 C ATOM 289 C GLU A 18 10.597 -1.505 -5.869 1.00 6.45 C ATOM 290 O GLU A 18 9.468 -0.979 -5.725 1.00 5.28 O ATOM 291 CB GLU A 18 11.099 -2.492 -8.217 1.00 10.28 C ATOM 292 CG GLU A 18 11.348 -3.742 -9.068 1.00 12.65 C ATOM 293 CD GLU A 18 12.513 -4.587 -8.636 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.583 -4.003 -8.255 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.473 -5.833 -8.661 1.00 18.17 O ATOM 0 H GLU A 18 8.697 -2.857 -7.219 1.00 7.29 H new ATOM 0 HA GLU A 18 11.438 -3.389 -6.322 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.331 -1.893 -8.706 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.011 -1.896 -8.210 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.448 -4.357 -9.054 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.507 -3.433 -10.101 1.00 12.65 H new ATOM 302 N PRO A 19 11.729 -0.994 -5.288 1.00 7.24 N ATOM 303 CA PRO A 19 11.654 0.164 -4.394 1.00 7.07 C ATOM 304 C PRO A 19 11.467 1.446 -5.150 1.00 6.65 C ATOM 305 O PRO A 19 11.300 2.496 -4.525 1.00 6.37 O ATOM 306 CB PRO A 19 13.074 0.219 -3.781 1.00 7.61 C ATOM 307 CG PRO A 19 13.934 -0.435 -4.837 1.00 8.16 C ATOM 308 CD PRO A 19 13.081 -1.613 -5.274 1.00 7.49 C ATOM 0 HA PRO A 19 10.827 0.066 -3.690 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.388 1.244 -3.585 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.124 -0.317 -2.833 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.145 0.242 -5.665 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.895 -0.757 -4.435 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.371 -1.992 -6.254 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.145 -2.449 -4.578 1.00 7.49 H new ATOM 316 N SER A 20 11.471 1.413 -6.524 1.00 6.80 N ATOM 317 CA SER A 20 11.221 2.601 -7.275 1.00 6.28 C ATOM 318 C SER A 20 9.769 2.626 -7.760 1.00 8.45 C ATOM 319 O SER A 20 9.363 3.565 -8.456 1.00 7.26 O ATOM 320 CB SER A 20 12.135 2.609 -8.538 1.00 8.57 C ATOM 321 OG SER A 20 12.050 1.405 -9.340 1.00 11.13 O ATOM 0 H SER A 20 11.644 0.578 -7.083 1.00 6.80 H new ATOM 0 HA SER A 20 11.420 3.462 -6.637 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.871 3.465 -9.159 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.169 2.751 -8.224 1.00 8.57 H new ATOM 0 HG SER A 20 12.648 1.484 -10.113 1.00 11.13 H new ATOM 327 N ASP A 21 9.005 1.637 -7.415 1.00 7.50 N ATOM 328 CA ASP A 21 7.565 1.681 -7.600 1.00 7.70 C ATOM 329 C ASP A 21 6.845 2.790 -6.842 1.00 7.08 C ATOM 330 O ASP A 21 7.217 3.146 -5.733 1.00 8.11 O ATOM 331 CB ASP A 21 6.915 0.304 -7.238 1.00 11.00 C ATOM 332 CG ASP A 21 7.469 -0.804 -8.133 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.986 -0.608 -9.278 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.253 -1.963 -7.761 1.00 18.03 O ATOM 0 H ASP A 21 9.349 0.772 -6.997 1.00 7.50 H new ATOM 0 HA ASP A 21 7.437 1.907 -8.659 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.111 0.067 -6.192 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.833 0.365 -7.353 1.00 11.00 H new ATOM 339 N THR A 22 5.813 3.322 -7.477 1.00 5.37 N ATOM 340 CA THR A 22 5.006 4.351 -6.778 1.00 6.01 C ATOM 341 C THR A 22 4.005 3.736 -5.892 1.00 8.01 C ATOM 342 O THR A 22 3.638 2.559 -5.983 1.00 8.11 O ATOM 343 CB THR A 22 4.250 5.427 -7.611 1.00 8.92 C ATOM 344 OG1 THR A 22 3.196 4.869 -8.427 1.00 10.22 O ATOM 345 CG2 THR A 22 5.234 6.105 -8.600 1.00 9.65 C ATOM 0 H THR A 22 5.513 3.087 -8.423 1.00 5.37 H new ATOM 0 HA THR A 22 5.801 4.889 -6.261 1.00 6.01 H new ATOM 0 HB THR A 22 3.826 6.122 -6.887 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.754 5.587 -8.927 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.703 6.858 -9.182 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.041 6.580 -8.042 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.650 5.354 -9.271 1.00 9.65 H new ATOM 353 N ILE A 23 3.517 4.552 -4.927 1.00 8.32 N ATOM 354 CA ILE A 23 2.424 4.125 -4.006 1.00 9.92 C ATOM 355 C ILE A 23 1.098 3.842 -4.758 1.00 10.01 C ATOM 356 O ILE A 23 0.345 2.924 -4.397 1.00 8.71 O ATOM 357 CB ILE A 23 2.293 5.138 -2.906 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.677 5.194 -2.119 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.059 4.890 -2.037 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.260 3.869 -1.605 1.00 12.30 C ATOM 0 H ILE A 23 3.855 5.500 -4.763 1.00 8.32 H new ATOM 0 HA ILE A 23 2.682 3.168 -3.552 1.00 9.92 H new ATOM 0 HB ILE A 23 2.108 6.132 -3.314 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.417 5.654 -2.774 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.550 5.859 -1.264 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.006 5.648 -1.255 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.162 4.943 -2.655 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.128 3.902 -1.581 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.202 4.061 -1.090 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.556 3.406 -0.913 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.436 3.199 -2.446 1.00 12.30 H new ATOM 372 N GLU A 24 0.881 4.540 -5.828 1.00 9.54 N ATOM 373 CA GLU A 24 -0.216 4.403 -6.733 1.00 11.81 C ATOM 374 C GLU A 24 -0.234 3.124 -7.415 1.00 11.14 C ATOM 375 O GLU A 24 -1.272 2.479 -7.626 1.00 10.62 O ATOM 376 CB GLU A 24 -0.302 5.683 -7.610 1.00 19.24 C ATOM 377 CG GLU A 24 -1.523 5.668 -8.486 1.00 27.76 C ATOM 378 CD GLU A 24 -1.619 6.958 -9.331 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.719 7.147 -10.194 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.482 7.797 -9.050 1.00 34.80 O ATOM 0 H GLU A 24 1.520 5.282 -6.114 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.161 4.353 -6.191 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.324 6.564 -6.969 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.591 5.762 -8.230 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.491 4.800 -9.145 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.416 5.567 -7.869 1.00 27.76 H new ATOM 387 N ASN A 25 1.004 2.662 -7.803 1.00 9.43 N ATOM 388 CA ASN A 25 1.278 1.319 -8.318 1.00 10.96 C ATOM 389 C ASN A 25 1.110 0.164 -7.335 1.00 9.68 C ATOM 390 O ASN A 25 0.707 -0.945 -7.658 1.00 9.33 O ATOM 391 CB ASN A 25 2.689 1.332 -8.935 1.00 16.78 C ATOM 392 CG ASN A 25 2.850 0.427 -10.149 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.669 -0.513 -10.304 1.00 25.66 O ATOM 394 ND2 ASN A 25 1.870 0.514 -11.061 1.00 24.70 N ATOM 0 H ASN A 25 1.840 3.244 -7.756 1.00 9.43 H new ATOM 0 HA ASN A 25 0.507 1.109 -9.059 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.938 2.354 -9.222 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.409 1.031 -8.174 1.00 16.78 H new ATOM 0 HD21 ASN A 25 1.822 -0.161 -11.824 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.173 1.255 -10.991 1.00 24.70 H new ATOM 401 N VAL A 26 1.446 0.414 -5.997 1.00 6.52 N ATOM 402 CA VAL A 26 1.174 -0.475 -4.906 1.00 5.53 C ATOM 403 C VAL A 26 -0.385 -0.670 -4.818 1.00 4.42 C ATOM 404 O VAL A 26 -0.856 -1.815 -4.812 1.00 3.40 O ATOM 405 CB VAL A 26 1.778 -0.182 -3.531 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.476 -1.348 -2.609 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.265 0.080 -3.638 1.00 8.12 C ATOM 0 H VAL A 26 1.919 1.269 -5.704 1.00 6.52 H new ATOM 0 HA VAL A 26 1.713 -1.387 -5.163 1.00 5.53 H new ATOM 0 HB VAL A 26 1.332 0.722 -3.116 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.901 -1.153 -1.624 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.397 -1.472 -2.520 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.913 -2.259 -3.019 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.670 0.286 -2.647 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.760 -0.796 -4.058 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.437 0.939 -4.286 1.00 8.12 H new ATOM 417 N LYS A 27 -1.175 0.419 -4.851 1.00 2.64 N ATOM 418 CA LYS A 27 -2.651 0.420 -4.798 1.00 4.14 C ATOM 419 C LYS A 27 -3.226 -0.189 -6.044 1.00 5.58 C ATOM 420 O LYS A 27 -4.193 -0.902 -5.981 1.00 4.11 O ATOM 421 CB LYS A 27 -3.257 1.851 -4.630 1.00 3.97 C ATOM 422 CG LYS A 27 -2.820 2.550 -3.269 1.00 7.45 C ATOM 423 CD LYS A 27 -3.239 3.987 -3.065 1.00 9.02 C ATOM 424 CE LYS A 27 -2.946 4.625 -1.713 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.613 5.962 -1.556 1.00 15.47 N ATOM 0 H LYS A 27 -0.788 1.360 -4.918 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.916 -0.169 -3.920 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.946 2.473 -5.469 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.344 1.787 -4.667 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.220 1.961 -2.443 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.733 2.502 -3.198 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.754 4.590 -3.833 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.313 4.051 -3.241 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.282 3.958 -0.919 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.869 4.743 -1.595 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.709 6.186 -0.545 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.037 6.694 -2.020 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.555 5.933 -1.995 1.00 15.47 H new ATOM 439 N ALA A 28 -2.604 -0.036 -7.214 1.00 6.61 N ATOM 440 CA ALA A 28 -3.028 -0.827 -8.389 1.00 7.74 C ATOM 441 C ALA A 28 -2.646 -2.328 -8.360 1.00 9.17 C ATOM 442 O ALA A 28 -3.268 -3.163 -9.058 1.00 11.45 O ATOM 443 CB ALA A 28 -2.378 -0.183 -9.663 1.00 7.68 C ATOM 0 H ALA A 28 -1.828 0.605 -7.380 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.118 -0.800 -8.390 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.674 -0.747 -10.547 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.715 0.849 -9.761 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.292 -0.202 -9.567 1.00 7.68 H new ATOM 449 N LYS A 29 -1.687 -2.853 -7.519 1.00 8.96 N ATOM 450 CA LYS A 29 -1.495 -4.255 -7.328 1.00 7.90 C ATOM 451 C LYS A 29 -2.492 -4.803 -6.373 1.00 6.92 C ATOM 452 O LYS A 29 -2.919 -5.943 -6.392 1.00 6.87 O ATOM 453 CB LYS A 29 -0.091 -4.412 -6.701 1.00 10.28 C ATOM 454 CG LYS A 29 1.038 -4.400 -7.801 1.00 14.94 C ATOM 455 CD LYS A 29 2.427 -4.231 -7.071 1.00 19.69 C ATOM 456 CE LYS A 29 3.615 -3.895 -7.999 1.00 22.63 C ATOM 457 NZ LYS A 29 3.965 -4.979 -8.895 1.00 24.98 N ATOM 0 H LYS A 29 -1.047 -2.275 -6.974 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.601 -4.784 -8.275 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.084 -3.604 -5.990 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.044 -5.346 -6.140 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.020 -5.326 -8.376 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.876 -3.584 -8.505 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.334 -3.442 -6.324 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.653 -5.153 -6.535 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.369 -3.011 -8.587 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.483 -3.641 -7.390 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.526 -4.607 -9.688 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.523 -5.689 -8.379 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.098 -5.420 -9.262 1.00 24.98 H new ATOM 471 N ILE A 30 -2.979 -3.899 -5.487 1.00 4.57 N ATOM 472 CA ILE A 30 -4.090 -4.171 -4.539 1.00 5.58 C ATOM 473 C ILE A 30 -5.473 -4.212 -5.333 1.00 7.26 C ATOM 474 O ILE A 30 -6.229 -5.119 -5.093 1.00 9.46 O ATOM 475 CB ILE A 30 -4.086 -3.271 -3.274 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.838 -3.653 -2.413 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.353 -3.410 -2.497 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.480 -2.698 -1.295 1.00 2.00 C ATOM 0 H ILE A 30 -2.609 -2.952 -5.409 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.934 -5.160 -4.108 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.025 -2.223 -3.567 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -3.009 -4.639 -1.980 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.978 -3.741 -3.077 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.314 -2.765 -1.619 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.197 -3.120 -3.123 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.474 -4.446 -2.181 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.600 -3.067 -0.769 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.268 -1.713 -1.712 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.315 -2.625 -0.598 1.00 2.00 H new ATOM 490 N GLN A 31 -5.684 -3.315 -6.352 1.00 7.06 N ATOM 491 CA GLN A 31 -6.673 -3.557 -7.347 1.00 8.67 C ATOM 492 C GLN A 31 -6.495 -4.808 -8.125 1.00 10.90 C ATOM 493 O GLN A 31 -7.411 -5.642 -8.198 1.00 9.63 O ATOM 494 CB GLN A 31 -6.722 -2.365 -8.272 1.00 9.12 C ATOM 495 CG GLN A 31 -7.934 -2.303 -9.112 1.00 10.76 C ATOM 496 CD GLN A 31 -7.851 -1.340 -10.338 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.773 -1.190 -10.957 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.890 -0.616 -10.674 1.00 14.76 N ATOM 0 H GLN A 31 -5.168 -2.443 -6.467 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.616 -3.698 -6.819 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.659 -1.454 -7.677 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.845 -2.385 -8.919 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.156 -3.307 -9.474 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.773 -1.997 -8.487 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.773 -0.730 -10.177 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.816 0.061 -11.433 1.00 14.76 H new ATOM 507 N ASP A 32 -5.309 -5.133 -8.694 1.00 10.93 N ATOM 508 CA ASP A 32 -5.146 -6.351 -9.450 1.00 14.01 C ATOM 509 C ASP A 32 -5.249 -7.637 -8.661 1.00 14.04 C ATOM 510 O ASP A 32 -5.865 -8.584 -9.209 1.00 13.39 O ATOM 511 CB ASP A 32 -3.824 -6.321 -10.234 1.00 18.01 C ATOM 512 CG ASP A 32 -3.769 -7.165 -11.472 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.551 -6.944 -12.452 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.917 -8.067 -11.496 1.00 26.29 O ATOM 0 H ASP A 32 -4.469 -4.558 -8.632 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.002 -6.368 -10.125 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.615 -5.288 -10.514 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.023 -6.639 -9.567 1.00 18.01 H new ATOM 519 N LYS A 33 -4.764 -7.669 -7.422 1.00 14.22 N ATOM 520 CA LYS A 33 -4.929 -8.794 -6.478 1.00 14.00 C ATOM 521 C LYS A 33 -6.334 -8.975 -5.927 1.00 12.37 C ATOM 522 O LYS A 33 -6.904 -10.083 -6.150 1.00 12.17 O ATOM 523 CB LYS A 33 -3.929 -8.625 -5.305 1.00 18.62 C ATOM 524 CG LYS A 33 -3.754 -9.921 -4.497 1.00 24.00 C ATOM 525 CD LYS A 33 -3.205 -11.117 -5.281 1.00 27.61 C ATOM 526 CE LYS A 33 -1.821 -10.960 -5.892 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.507 -12.100 -6.852 1.00 30.06 N ATOM 0 H LYS A 33 -4.229 -6.896 -7.027 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.727 -9.697 -7.055 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.962 -8.311 -5.697 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.278 -7.832 -4.644 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.085 -9.719 -3.660 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.720 -10.198 -4.074 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.186 -11.980 -4.615 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.906 -11.348 -6.083 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.761 -10.009 -6.421 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.073 -10.932 -5.100 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.557 -11.965 -7.252 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.542 -13.005 -6.340 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.208 -12.110 -7.620 1.00 30.06 H new ATOM 541 N GLU A 34 -6.824 -7.917 -5.229 1.00 10.11 N ATOM 542 CA GLU A 34 -8.074 -8.110 -4.523 1.00 10.07 C ATOM 543 C GLU A 34 -9.332 -7.432 -5.096 1.00 9.32 C ATOM 544 O GLU A 34 -10.400 -7.740 -4.608 1.00 11.61 O ATOM 545 CB GLU A 34 -7.954 -7.692 -3.014 1.00 14.77 C ATOM 546 CG GLU A 34 -6.830 -8.381 -2.181 1.00 18.75 C ATOM 547 CD GLU A 34 -7.161 -9.746 -1.545 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.039 -9.716 -0.668 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.587 -10.791 -1.892 1.00 21.95 O ATOM 0 H GLU A 34 -6.396 -6.994 -5.153 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.230 -9.181 -4.652 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.796 -6.614 -2.971 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.909 -7.894 -2.529 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.962 -8.511 -2.827 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.534 -7.699 -1.383 1.00 18.75 H new ATOM 556 N GLY A 35 -9.162 -6.681 -6.197 1.00 7.22 N ATOM 557 CA GLY A 35 -10.265 -6.000 -6.873 1.00 6.29 C ATOM 558 C GLY A 35 -10.681 -4.657 -6.295 1.00 6.93 C ATOM 559 O GLY A 35 -11.731 -4.132 -6.638 1.00 7.41 O ATOM 0 H GLY A 35 -8.255 -6.533 -6.639 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.988 -5.852 -7.917 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.132 -6.660 -6.864 1.00 6.29 H new ATOM 563 N ILE A 36 -9.965 -4.106 -5.340 1.00 5.86 N ATOM 564 CA ILE A 36 -10.327 -2.946 -4.619 1.00 6.07 C ATOM 565 C ILE A 36 -9.865 -1.671 -5.397 1.00 6.36 C ATOM 566 O ILE A 36 -8.741 -1.561 -5.764 1.00 6.18 O ATOM 567 CB ILE A 36 -9.549 -2.916 -3.266 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.863 -4.209 -2.432 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.908 -1.678 -2.474 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.244 -4.295 -0.994 1.00 9.49 C ATOM 0 H ILE A 36 -9.068 -4.491 -5.043 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.407 -2.960 -4.474 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.481 -2.888 -3.480 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.945 -4.299 -2.341 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.518 -5.072 -3.002 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.356 -1.675 -1.534 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.649 -0.790 -3.050 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.978 -1.677 -2.266 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.537 -5.235 -0.527 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.157 -4.247 -1.062 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.607 -3.462 -0.391 1.00 9.49 H new ATOM 582 N PRO A 37 -10.792 -0.742 -5.635 1.00 8.65 N ATOM 583 CA PRO A 37 -10.416 0.539 -6.216 1.00 9.18 C ATOM 584 C PRO A 37 -9.166 1.288 -5.685 1.00 9.85 C ATOM 585 O PRO A 37 -8.998 1.282 -4.475 1.00 8.51 O ATOM 586 CB PRO A 37 -11.691 1.388 -6.102 1.00 11.42 C ATOM 587 CG PRO A 37 -12.821 0.320 -6.346 1.00 9.27 C ATOM 588 CD PRO A 37 -12.231 -0.829 -5.516 1.00 8.33 C ATOM 0 HA PRO A 37 -10.065 0.345 -7.230 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.780 1.860 -5.123 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.717 2.186 -6.844 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.796 0.646 -5.984 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.941 0.064 -7.399 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.537 -0.748 -4.473 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.590 -1.792 -5.880 1.00 8.33 H new ATOM 596 N PRO A 38 -8.316 1.906 -6.455 1.00 8.71 N ATOM 597 CA PRO A 38 -7.144 2.585 -5.921 1.00 9.08 C ATOM 598 C PRO A 38 -7.438 3.919 -5.194 1.00 9.28 C ATOM 599 O PRO A 38 -6.609 4.420 -4.416 1.00 6.50 O ATOM 600 CB PRO A 38 -6.233 2.860 -7.154 1.00 10.31 C ATOM 601 CG PRO A 38 -6.497 1.536 -7.884 1.00 10.81 C ATOM 602 CD PRO A 38 -7.997 1.294 -7.781 1.00 12.00 C ATOM 0 HA PRO A 38 -6.690 1.952 -5.159 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.540 3.735 -7.727 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.185 3.003 -6.890 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.182 1.595 -8.926 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.937 0.720 -7.427 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.545 1.771 -8.594 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.243 0.232 -7.811 1.00 12.00 H new ATOM 610 N ASP A 39 -8.659 4.441 -5.273 1.00 11.20 N ATOM 611 CA ASP A 39 -9.099 5.653 -4.648 1.00 14.96 C ATOM 612 C ASP A 39 -9.740 5.328 -3.343 1.00 13.99 C ATOM 613 O ASP A 39 -9.937 6.165 -2.455 1.00 13.75 O ATOM 614 CB ASP A 39 -10.012 6.481 -5.545 1.00 24.16 C ATOM 615 CG ASP A 39 -11.253 5.741 -5.971 1.00 31.06 C ATOM 616 OD1 ASP A 39 -11.140 4.702 -6.589 1.00 35.55 O ATOM 617 OD2 ASP A 39 -12.374 6.201 -5.663 1.00 34.22 O ATOM 0 H ASP A 39 -9.400 3.991 -5.810 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.227 6.282 -4.468 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.301 7.390 -5.018 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.458 6.789 -6.432 1.00 24.16 H new ATOM 622 N GLN A 40 -10.013 4.037 -3.093 1.00 11.60 N ATOM 623 CA GLN A 40 -10.597 3.429 -1.927 1.00 10.76 C ATOM 624 C GLN A 40 -9.530 2.957 -0.943 1.00 8.01 C ATOM 625 O GLN A 40 -9.794 2.326 0.047 1.00 8.96 O ATOM 626 CB GLN A 40 -11.466 2.273 -2.335 1.00 11.14 C ATOM 627 CG GLN A 40 -12.588 1.942 -1.225 1.00 14.85 C ATOM 628 CD GLN A 40 -13.489 0.838 -1.807 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.322 -0.361 -1.523 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.443 1.201 -2.688 1.00 18.16 N ATOM 0 H GLN A 40 -9.798 3.329 -3.795 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.203 4.183 -1.424 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.951 2.501 -3.284 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.845 1.392 -2.497 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.124 1.611 -0.296 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.172 2.832 -0.990 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.577 2.186 -2.918 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.031 0.491 -3.124 1.00 18.16 H new ATOM 639 N GLN A 41 -8.248 3.304 -1.162 1.00 6.52 N ATOM 640 CA GLN A 41 -7.181 2.711 -0.395 1.00 3.87 C ATOM 641 C GLN A 41 -6.436 3.761 0.361 1.00 4.79 C ATOM 642 O GLN A 41 -5.910 4.668 -0.282 1.00 6.34 O ATOM 643 CB GLN A 41 -6.279 1.889 -1.284 1.00 4.20 C ATOM 644 CG GLN A 41 -6.963 0.559 -1.793 1.00 3.20 C ATOM 645 CD GLN A 41 -5.953 -0.064 -2.749 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.765 -0.184 -2.360 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.344 -0.389 -4.004 1.00 7.13 N ATOM 0 H GLN A 41 -7.947 3.985 -1.859 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.607 2.029 0.340 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.979 2.489 -2.143 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.370 1.638 -0.738 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.187 -0.112 -0.964 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.906 0.768 -2.297 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.320 -0.276 -4.279 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.663 -0.747 -4.674 1.00 7.13 H new ATOM 656 N ARG A 42 -6.299 3.610 1.709 1.00 5.73 N ATOM 657 CA ARG A 42 -5.252 4.189 2.553 1.00 6.97 C ATOM 658 C ARG A 42 -4.287 3.152 2.919 1.00 7.15 C ATOM 659 O ARG A 42 -4.568 1.993 3.186 1.00 7.33 O ATOM 660 CB ARG A 42 -5.791 4.885 3.826 1.00 13.23 C ATOM 661 CG ARG A 42 -6.665 6.067 3.450 1.00 21.27 C ATOM 662 CD ARG A 42 -7.019 6.899 4.662 1.00 26.14 C ATOM 663 NE ARG A 42 -7.758 8.071 4.144 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.886 8.555 4.707 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.744 7.863 5.388 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.185 9.786 4.405 1.00 36.39 N ATOM 0 H ARG A 42 -6.958 3.049 2.249 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.771 4.969 1.962 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.365 4.175 4.422 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.959 5.221 4.445 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.146 6.688 2.720 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.578 5.710 2.973 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.630 6.330 5.362 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.123 7.208 5.200 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.395 8.540 3.314 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.593 6.865 5.535 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.571 8.316 5.777 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.581 10.319 3.779 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.023 10.217 4.794 1.00 36.39 H new ATOM 680 N LEU A 43 -2.982 3.474 2.800 1.00 4.65 N ATOM 681 CA LEU A 43 -1.903 2.581 3.079 1.00 3.51 C ATOM 682 C LEU A 43 -0.927 3.166 4.107 1.00 5.56 C ATOM 683 O LEU A 43 -0.327 4.204 3.946 1.00 4.19 O ATOM 684 CB LEU A 43 -1.055 2.303 1.777 1.00 3.74 C ATOM 685 CG LEU A 43 -1.848 1.660 0.629 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.936 1.366 -0.603 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.680 0.409 0.931 1.00 6.41 C ATOM 0 H LEU A 43 -2.670 4.396 2.496 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.362 1.670 3.463 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.630 3.244 1.427 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.219 1.652 2.034 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.586 2.436 0.424 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.530 0.912 -1.396 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.501 2.298 -0.964 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.138 0.683 -0.311 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.179 0.076 0.021 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.027 -0.383 1.297 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.427 0.643 1.690 1.00 6.41 H new ATOM 699 N ILE A 44 -0.827 2.524 5.273 1.00 4.58 N ATOM 700 CA ILE A 44 -0.183 3.069 6.410 1.00 5.55 C ATOM 701 C ILE A 44 1.107 2.222 6.742 1.00 5.46 C ATOM 702 O ILE A 44 1.082 1.027 6.660 1.00 6.04 O ATOM 703 CB ILE A 44 -1.115 3.069 7.634 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.368 3.961 7.334 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.463 3.624 8.941 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.575 3.855 8.284 1.00 13.90 C ATOM 0 H ILE A 44 -1.209 1.591 5.429 1.00 4.58 H new ATOM 0 HA ILE A 44 0.089 4.100 6.183 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.368 2.023 7.804 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.042 5.001 7.323 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.713 3.724 6.328 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.189 3.588 9.753 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.404 3.017 9.202 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.148 4.655 8.781 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.362 4.530 7.949 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.950 2.831 8.283 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.268 4.128 9.294 1.00 13.90 H new ATOM 718 N PHE A 45 2.227 2.916 7.151 1.00 6.75 N ATOM 719 CA PHE A 45 3.460 2.320 7.611 1.00 4.70 C ATOM 720 C PHE A 45 4.063 3.329 8.627 1.00 6.34 C ATOM 721 O PHE A 45 4.095 4.512 8.409 1.00 5.45 O ATOM 722 CB PHE A 45 4.282 2.161 6.310 1.00 5.51 C ATOM 723 CG PHE A 45 5.715 1.822 6.631 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.976 0.644 7.423 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.747 2.644 6.214 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.320 0.327 7.686 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.065 2.348 6.552 1.00 6.64 C ATOM 728 CZ PHE A 45 8.304 1.165 7.222 1.00 6.84 C ATOM 0 H PHE A 45 2.259 3.935 7.156 1.00 6.75 H new ATOM 0 HA PHE A 45 3.394 1.357 8.118 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.846 1.377 5.691 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.241 3.084 5.731 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.171 0.030 7.799 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.529 3.521 5.623 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.575 -0.562 8.244 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.872 3.020 6.299 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.332 0.880 7.392 1.00 6.84 H new ATOM 738 N ALA A 46 4.626 2.858 9.721 1.00 6.53 N ATOM 739 CA ALA A 46 5.231 3.623 10.807 1.00 7.15 C ATOM 740 C ALA A 46 4.502 4.925 11.212 1.00 9.00 C ATOM 741 O ALA A 46 5.019 6.031 11.492 1.00 11.15 O ATOM 742 CB ALA A 46 6.683 3.991 10.431 1.00 8.99 C ATOM 0 H ALA A 46 4.680 1.854 9.893 1.00 6.53 H new ATOM 0 HA ALA A 46 5.166 2.961 11.670 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.135 4.562 11.242 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.258 3.080 10.265 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.682 4.591 9.521 1.00 8.99 H new ATOM 748 N GLY A 47 3.161 4.765 11.311 1.00 9.35 N ATOM 749 CA GLY A 47 2.224 5.761 11.679 1.00 11.68 C ATOM 750 C GLY A 47 1.955 6.794 10.610 1.00 11.14 C ATOM 751 O GLY A 47 1.189 7.701 10.869 1.00 13.93 O ATOM 0 H GLY A 47 2.715 3.869 11.117 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.284 5.277 11.944 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.585 6.268 12.574 1.00 11.68 H new ATOM 755 N LYS A 48 2.537 6.618 9.413 1.00 10.47 N ATOM 756 CA LYS A 48 2.393 7.559 8.309 1.00 8.82 C ATOM 757 C LYS A 48 1.497 6.936 7.283 1.00 7.68 C ATOM 758 O LYS A 48 1.575 5.757 6.975 1.00 6.47 O ATOM 759 CB LYS A 48 3.771 7.751 7.649 1.00 9.74 C ATOM 760 CG LYS A 48 4.901 8.378 8.474 1.00 14.14 C ATOM 761 CD LYS A 48 6.136 8.741 7.619 1.00 16.32 C ATOM 762 CE LYS A 48 7.409 9.131 8.328 1.00 20.04 C ATOM 763 NZ LYS A 48 7.251 10.483 8.882 1.00 23.92 N ATOM 0 H LYS A 48 3.122 5.813 9.191 1.00 10.47 H new ATOM 0 HA LYS A 48 1.993 8.507 8.669 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.113 6.774 7.308 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.629 8.367 6.761 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.529 9.276 8.967 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.200 7.684 9.259 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.360 7.887 6.980 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.855 9.565 6.963 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.629 8.421 9.125 1.00 20.04 H new ATOM 0 HE3 LYS A 48 8.250 9.104 7.635 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.124 10.761 9.373 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.059 11.154 8.111 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.458 10.492 9.554 1.00 23.92 H new ATOM 777 N GLN A 49 0.681 7.825 6.659 1.00 8.89 N ATOM 778 CA GLN A 49 0.030 7.507 5.385 1.00 7.18 C ATOM 779 C GLN A 49 1.029 7.707 4.269 1.00 8.23 C ATOM 780 O GLN A 49 1.778 8.662 4.240 1.00 9.70 O ATOM 781 CB GLN A 49 -1.164 8.480 5.137 1.00 11.67 C ATOM 782 CG GLN A 49 -2.396 8.177 6.072 1.00 15.82 C ATOM 783 CD GLN A 49 -3.437 9.324 6.019 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.060 9.639 4.982 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.696 9.986 7.166 1.00 20.67 N ATOM 0 H GLN A 49 0.467 8.754 7.022 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.329 6.478 5.415 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.832 9.505 5.300 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.477 8.408 4.095 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.866 7.242 5.767 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.053 8.041 7.098 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.196 9.741 8.021 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.392 10.732 7.178 1.00 20.67 H new ATOM 794 N LEU A 50 1.036 6.856 3.273 1.00 6.51 N ATOM 795 CA LEU A 50 1.916 6.896 2.143 1.00 7.41 C ATOM 796 C LEU A 50 1.097 7.339 0.878 1.00 8.27 C ATOM 797 O LEU A 50 0.083 6.708 0.524 1.00 8.34 O ATOM 798 CB LEU A 50 2.576 5.501 1.842 1.00 7.13 C ATOM 799 CG LEU A 50 3.047 4.796 3.114 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.309 3.285 2.788 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.305 5.485 3.733 1.00 9.11 C ATOM 0 H LEU A 50 0.386 6.071 3.232 1.00 6.51 H new ATOM 0 HA LEU A 50 2.714 7.602 2.375 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.858 4.867 1.322 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.424 5.640 1.171 1.00 7.13 H new ATOM 0 HG LEU A 50 2.266 4.868 3.871 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.646 2.772 3.689 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.388 2.825 2.431 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.076 3.207 2.017 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.605 4.951 4.635 1.00 9.11 H new ATOM 0 HD22 LEU A 50 5.122 5.467 3.012 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.067 6.518 3.985 1.00 9.11 H new ATOM 813 N GLU A 51 1.565 8.388 0.193 1.00 9.43 N ATOM 814 CA GLU A 51 0.887 9.038 -0.947 1.00 11.90 C ATOM 815 C GLU A 51 1.302 8.646 -2.310 1.00 11.49 C ATOM 816 O GLU A 51 2.479 8.439 -2.625 1.00 9.88 O ATOM 817 CB GLU A 51 1.010 10.609 -0.837 1.00 16.56 C ATOM 818 CG GLU A 51 0.704 11.178 0.615 1.00 26.06 C ATOM 819 CD GLU A 51 0.705 12.689 0.767 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.285 13.342 0.346 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.716 13.273 1.287 1.00 32.13 O ATOM 0 H GLU A 51 2.457 8.827 0.421 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.136 8.676 -0.846 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.017 10.906 -1.128 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.324 11.068 -1.549 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.271 10.805 0.929 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.440 10.766 1.305 1.00 26.06 H new ATOM 828 N ASP A 52 0.329 8.576 -3.202 1.00 12.71 N ATOM 829 CA ASP A 52 0.229 7.908 -4.491 1.00 16.56 C ATOM 830 C ASP A 52 1.356 8.304 -5.416 1.00 15.83 C ATOM 831 O ASP A 52 2.018 7.374 -5.948 1.00 17.21 O ATOM 832 CB ASP A 52 -1.167 8.189 -5.054 1.00 21.05 C ATOM 833 CG ASP A 52 -2.325 7.750 -4.207 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.291 7.864 -2.958 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.302 7.238 -4.831 1.00 28.37 O ATOM 0 H ASP A 52 -0.545 9.064 -3.006 1.00 12.71 H new ATOM 0 HA ASP A 52 0.345 6.830 -4.379 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.257 9.261 -5.227 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.249 7.701 -6.025 1.00 21.05 H new ATOM 840 N GLY A 53 1.639 9.598 -5.545 1.00 15.00 N ATOM 841 CA GLY A 53 2.640 10.023 -6.474 1.00 11.77 C ATOM 842 C GLY A 53 4.019 9.860 -6.035 1.00 11.10 C ATOM 843 O GLY A 53 4.929 10.220 -6.776 1.00 11.25 O ATOM 0 H GLY A 53 1.188 10.347 -5.020 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.506 9.469 -7.403 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.473 11.075 -6.704 1.00 11.77 H new ATOM 847 N ARG A 54 4.273 9.456 -4.788 1.00 8.53 N ATOM 848 CA ARG A 54 5.623 9.246 -4.301 1.00 9.05 C ATOM 849 C ARG A 54 6.017 7.778 -4.552 1.00 8.96 C ATOM 850 O ARG A 54 5.190 6.886 -4.697 1.00 11.60 O ATOM 851 CB ARG A 54 5.817 9.681 -2.802 1.00 7.97 C ATOM 852 CG ARG A 54 5.299 11.118 -2.470 1.00 9.62 C ATOM 853 CD ARG A 54 5.716 11.569 -1.113 1.00 12.20 C ATOM 854 NE ARG A 54 4.975 12.839 -0.749 1.00 18.23 N ATOM 855 CZ ARG A 54 5.314 13.577 0.308 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.296 13.262 1.170 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.752 14.803 0.532 1.00 23.38 N ATOM 0 H ARG A 54 3.547 9.268 -4.097 1.00 8.53 H new ATOM 0 HA ARG A 54 6.298 9.897 -4.857 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.302 8.966 -2.160 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.877 9.625 -2.555 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.675 11.819 -3.215 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.211 11.135 -2.538 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.506 10.791 -0.380 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.792 11.745 -1.092 1.00 12.20 H new ATOM 0 HE ARG A 54 4.193 13.139 -1.331 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.838 12.408 1.036 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.499 13.877 1.958 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.057 15.172 -0.117 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.028 15.349 1.348 1.00 23.38 H new ATOM 871 N THR A 55 7.284 7.393 -4.572 1.00 9.05 N ATOM 872 CA THR A 55 7.772 6.042 -4.648 1.00 9.03 C ATOM 873 C THR A 55 7.981 5.480 -3.211 1.00 8.15 C ATOM 874 O THR A 55 8.014 6.199 -2.234 1.00 5.91 O ATOM 875 CB THR A 55 9.126 6.024 -5.394 1.00 11.15 C ATOM 876 OG1 THR A 55 10.262 6.427 -4.729 1.00 11.95 O ATOM 877 CG2 THR A 55 9.158 6.733 -6.745 1.00 11.71 C ATOM 0 H THR A 55 8.045 8.072 -4.532 1.00 9.05 H new ATOM 0 HA THR A 55 7.046 5.429 -5.182 1.00 9.03 H new ATOM 0 HB THR A 55 9.168 4.941 -5.507 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.206 7.387 -4.538 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.157 6.655 -7.173 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.437 6.267 -7.417 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.902 7.784 -6.610 1.00 11.71 H new ATOM 885 N LEU A 56 8.151 4.119 -3.133 1.00 6.91 N ATOM 886 CA LEU A 56 8.509 3.383 -1.914 1.00 8.29 C ATOM 887 C LEU A 56 9.844 3.847 -1.384 1.00 8.05 C ATOM 888 O LEU A 56 9.977 3.999 -0.169 1.00 10.17 O ATOM 889 CB LEU A 56 8.515 1.872 -2.186 1.00 6.60 C ATOM 890 CG LEU A 56 7.112 1.229 -2.325 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.229 -0.229 -2.901 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.457 1.042 -0.908 1.00 8.64 C ATOM 0 H LEU A 56 8.036 3.510 -3.943 1.00 6.91 H new ATOM 0 HA LEU A 56 7.759 3.587 -1.150 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.077 1.684 -3.101 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.048 1.374 -1.376 1.00 6.60 H new ATOM 0 HG LEU A 56 6.528 1.883 -2.972 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.234 -0.665 -2.992 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.702 -0.196 -3.883 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.832 -0.839 -2.228 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.472 0.589 -1.019 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.087 0.394 -0.299 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.358 2.013 -0.422 1.00 8.64 H new ATOM 904 N SER A 57 10.866 4.076 -2.234 1.00 8.92 N ATOM 905 CA SER A 57 12.197 4.705 -1.885 1.00 9.00 C ATOM 906 C SER A 57 12.090 6.036 -1.200 1.00 9.44 C ATOM 907 O SER A 57 12.855 6.398 -0.350 1.00 10.91 O ATOM 908 CB SER A 57 13.119 4.888 -3.138 1.00 10.32 C ATOM 909 OG SER A 57 14.411 5.245 -2.811 1.00 13.59 O ATOM 0 H SER A 57 10.805 3.827 -3.221 1.00 8.92 H new ATOM 0 HA SER A 57 12.637 3.991 -1.188 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.138 3.958 -3.707 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.691 5.651 -3.788 1.00 10.32 H new ATOM 0 HG SER A 57 14.940 5.344 -3.630 1.00 13.59 H new ATOM 915 N ASP A 58 11.113 6.887 -1.578 1.00 9.11 N ATOM 916 CA ASP A 58 11.031 8.249 -0.973 1.00 7.91 C ATOM 917 C ASP A 58 10.670 8.256 0.536 1.00 9.12 C ATOM 918 O ASP A 58 10.592 9.313 1.175 1.00 8.61 O ATOM 919 CB ASP A 58 10.000 9.091 -1.726 1.00 8.41 C ATOM 920 CG ASP A 58 10.423 9.323 -3.186 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.515 9.746 -3.570 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.503 9.054 -4.008 1.00 11.70 O ATOM 0 H ASP A 58 10.394 6.676 -2.270 1.00 9.11 H new ATOM 0 HA ASP A 58 12.033 8.669 -1.061 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.032 8.591 -1.701 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.876 10.051 -1.225 1.00 8.41 H new ATOM 927 N TYR A 59 10.299 7.139 1.095 1.00 7.97 N ATOM 928 CA TYR A 59 9.857 6.946 2.477 1.00 8.45 C ATOM 929 C TYR A 59 10.847 6.033 3.113 1.00 10.98 C ATOM 930 O TYR A 59 10.697 5.696 4.294 1.00 12.95 O ATOM 931 CB TYR A 59 8.505 6.237 2.568 1.00 7.94 C ATOM 932 CG TYR A 59 7.412 7.122 2.105 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.105 8.319 2.806 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.646 6.775 0.995 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.997 9.072 2.426 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.509 7.558 0.667 1.00 6.52 C ATOM 937 CZ TYR A 59 5.176 8.672 1.378 1.00 6.76 C ATOM 938 OH TYR A 59 4.079 9.437 0.948 1.00 7.63 O ATOM 0 H TYR A 59 10.292 6.265 0.570 1.00 7.97 H new ATOM 0 HA TYR A 59 9.771 7.924 2.951 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.524 5.330 1.964 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.319 5.931 3.597 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.727 8.643 3.628 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.914 5.921 0.391 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.771 9.985 2.956 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.891 7.263 -0.168 1.00 6.52 H new ATOM 0 HH TYR A 59 4.146 10.342 1.317 1.00 7.63 H new ATOM 948 N ASN A 60 11.907 5.532 2.374 1.00 12.38 N ATOM 949 CA ASN A 60 12.854 4.483 2.745 1.00 13.94 C ATOM 950 C ASN A 60 12.179 3.266 3.196 1.00 14.16 C ATOM 951 O ASN A 60 12.374 2.851 4.332 1.00 14.26 O ATOM 952 CB ASN A 60 13.857 5.072 3.833 1.00 19.23 C ATOM 953 CG ASN A 60 14.521 6.397 3.470 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.329 6.565 2.560 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.144 7.406 4.285 1.00 24.09 N ATOM 0 H ASN A 60 12.108 5.898 1.443 1.00 12.38 H new ATOM 0 HA ASN A 60 13.425 4.179 1.868 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.313 5.203 4.769 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.637 4.334 4.019 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.533 8.340 4.154 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.471 7.234 5.032 1.00 24.09 H new ATOM 962 N ILE A 61 11.409 2.691 2.277 1.00 11.08 N ATOM 963 CA ILE A 61 10.614 1.458 2.582 1.00 11.78 C ATOM 964 C ILE A 61 11.479 0.270 2.143 1.00 13.74 C ATOM 965 O ILE A 61 11.849 0.100 0.996 1.00 14.60 O ATOM 966 CB ILE A 61 9.233 1.440 1.985 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.422 2.501 2.773 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.567 0.040 2.141 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.038 2.845 2.269 1.00 11.42 C ATOM 0 H ILE A 61 11.305 3.036 1.323 1.00 11.08 H new ATOM 0 HA ILE A 61 10.401 1.414 3.650 1.00 11.78 H new ATOM 0 HB ILE A 61 9.268 1.655 0.917 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.328 2.155 3.802 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.008 3.420 2.798 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.571 0.060 1.700 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.174 -0.710 1.634 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.490 -0.211 3.199 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.592 3.599 2.917 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.107 3.234 1.253 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.416 1.950 2.273 1.00 11.42 H new ATOM 981 N GLN A 62 11.953 -0.558 3.169 1.00 13.97 N ATOM 982 CA GLN A 62 12.776 -1.750 2.884 1.00 15.52 C ATOM 983 C GLN A 62 12.057 -3.034 2.724 1.00 13.94 C ATOM 984 O GLN A 62 10.861 -3.132 2.999 1.00 12.15 O ATOM 985 CB GLN A 62 13.882 -1.893 3.924 1.00 19.53 C ATOM 986 CG GLN A 62 14.842 -0.624 3.965 1.00 26.38 C ATOM 987 CD GLN A 62 15.950 -0.907 4.976 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.850 -1.687 4.800 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.758 -0.237 6.149 1.00 32.71 N ATOM 0 H GLN A 62 11.768 -0.400 4.160 1.00 13.97 H new ATOM 0 HA GLN A 62 13.186 -1.552 1.894 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.436 -2.040 4.908 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.471 -2.784 3.705 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.265 -0.433 2.979 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.284 0.268 4.250 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.978 0.413 6.243 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.395 -0.386 6.932 1.00 32.71 H new ATOM 998 N LYS A 63 12.850 -4.057 2.223 1.00 11.73 N ATOM 999 CA LYS A 63 12.363 -5.378 1.988 1.00 11.97 C ATOM 1000 C LYS A 63 11.741 -5.975 3.237 1.00 10.41 C ATOM 1001 O LYS A 63 12.178 -5.910 4.380 1.00 9.59 O ATOM 1002 CB LYS A 63 13.431 -6.355 1.403 1.00 13.73 C ATOM 1003 CG LYS A 63 14.567 -6.690 2.347 1.00 16.98 C ATOM 1004 CD LYS A 63 15.671 -7.639 1.710 1.00 20.19 C ATOM 1005 CE LYS A 63 16.531 -8.318 2.753 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.940 -9.561 3.259 1.00 25.97 N ATOM 0 H LYS A 63 13.835 -3.936 1.988 1.00 11.73 H new ATOM 0 HA LYS A 63 11.595 -5.261 1.223 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.935 -7.280 1.110 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.847 -5.916 0.496 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.041 -5.764 2.673 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.159 -7.169 3.237 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.183 -8.397 1.098 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.307 -7.054 1.045 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.509 -8.535 2.325 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.692 -7.633 3.585 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.668 -10.116 3.752 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.170 -9.335 3.920 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.562 -10.115 2.464 1.00 25.97 H new ATOM 1020 N GLU A 64 10.592 -6.678 2.963 1.00 10.04 N ATOM 1021 CA GLU A 64 9.834 -7.500 3.968 1.00 10.94 C ATOM 1022 C GLU A 64 9.042 -6.724 4.998 1.00 9.74 C ATOM 1023 O GLU A 64 8.400 -7.245 5.899 1.00 9.42 O ATOM 1024 CB GLU A 64 10.751 -8.591 4.608 1.00 18.31 C ATOM 1025 CG GLU A 64 11.578 -9.542 3.618 1.00 24.16 C ATOM 1026 CD GLU A 64 12.651 -10.247 4.427 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.703 -9.649 4.802 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.521 -11.471 4.700 1.00 32.61 O ATOM 0 H GLU A 64 10.166 -6.689 2.036 1.00 10.04 H new ATOM 0 HA GLU A 64 9.055 -7.996 3.389 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.463 -8.089 5.263 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.128 -9.225 5.240 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.916 -10.270 3.148 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.029 -8.957 2.816 1.00 24.16 H new ATOM 1035 N SER A 65 8.939 -5.378 4.784 1.00 6.85 N ATOM 1036 CA SER A 65 8.121 -4.419 5.484 1.00 6.90 C ATOM 1037 C SER A 65 6.687 -4.660 5.391 1.00 4.72 C ATOM 1038 O SER A 65 6.209 -5.131 4.365 1.00 3.91 O ATOM 1039 CB SER A 65 8.340 -2.952 4.955 1.00 7.28 C ATOM 1040 OG SER A 65 9.582 -2.375 5.352 1.00 10.56 O ATOM 0 H SER A 65 9.485 -4.929 4.049 1.00 6.85 H new ATOM 0 HA SER A 65 8.445 -4.537 6.518 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.284 -2.956 3.866 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.526 -2.322 5.314 1.00 7.28 H new ATOM 0 HG SER A 65 10.244 -2.502 4.641 1.00 10.56 H new ATOM 1046 N THR A 66 5.953 -4.412 6.522 1.00 4.48 N ATOM 1047 CA THR A 66 4.602 -4.747 6.550 1.00 3.80 C ATOM 1048 C THR A 66 3.843 -3.430 6.385 1.00 4.60 C ATOM 1049 O THR A 66 4.239 -2.467 7.038 1.00 5.33 O ATOM 1050 CB THR A 66 4.173 -5.374 7.836 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.645 -6.649 8.082 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.704 -5.596 7.803 1.00 3.40 C ATOM 0 H THR A 66 6.317 -3.990 7.376 1.00 4.48 H new ATOM 0 HA THR A 66 4.402 -5.477 5.766 1.00 3.80 H new ATOM 0 HB THR A 66 4.555 -4.681 8.585 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.307 -6.962 8.947 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.384 -6.054 8.739 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.195 -4.641 7.673 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.454 -6.256 6.972 1.00 3.40 H new ATOM 1060 N LEU A 67 2.856 -3.357 5.542 1.00 4.17 N ATOM 1061 CA LEU A 67 2.173 -2.135 5.230 1.00 3.85 C ATOM 1062 C LEU A 67 0.711 -2.375 5.378 1.00 3.80 C ATOM 1063 O LEU A 67 0.205 -3.508 5.226 1.00 5.54 O ATOM 1064 CB LEU A 67 2.283 -1.615 3.761 1.00 7.18 C ATOM 1065 CG LEU A 67 3.686 -1.527 3.089 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.750 -1.008 1.576 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.694 -0.688 3.866 1.00 11.66 C ATOM 0 H LEU A 67 2.494 -4.167 5.039 1.00 4.17 H new ATOM 0 HA LEU A 67 2.638 -1.408 5.896 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.661 -2.257 3.138 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.842 -0.619 3.732 1.00 7.18 H new ATOM 0 HG LEU A 67 3.944 -2.586 3.094 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.786 -0.998 1.238 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.167 -1.673 0.938 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.340 0.001 1.520 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.645 -0.676 3.333 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.320 0.331 3.964 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.839 -1.118 4.857 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.050 -1.380 5.841 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.428 -1.649 6.223 1.00 4.17 C ATOM 1081 C HIS A 68 -2.247 -1.379 4.966 1.00 5.32 C ATOM 1082 O HIS A 68 -1.799 -0.630 4.084 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.922 -0.703 7.365 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.168 -1.007 8.565 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.045 -0.509 8.862 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.605 -1.728 9.623 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.363 -0.897 10.114 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.612 -1.638 10.605 1.00 16.30 N ATOM 0 H HIS A 68 0.256 -0.414 5.956 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.527 -2.668 6.598 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.781 0.340 7.082 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.988 -0.844 7.541 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.624 0.063 8.247 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -2.538 -2.268 9.696 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.274 -0.641 10.634 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.466 -1.966 4.906 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.505 -1.746 3.890 1.00 3.97 C ATOM 1098 C LEU A 69 -5.671 -1.388 4.720 1.00 5.07 C ATOM 1099 O LEU A 69 -6.178 -2.202 5.429 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.630 -3.027 3.031 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.826 -3.117 2.015 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.840 -1.920 1.092 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.732 -4.419 1.184 1.00 9.96 C ATOM 0 H LEU A 69 -3.761 -2.644 5.609 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.331 -0.966 3.149 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.704 -3.144 2.468 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.702 -3.878 3.708 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.754 -3.126 2.587 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.676 -2.005 0.398 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.948 -1.008 1.680 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.906 -1.882 0.531 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.567 -4.466 0.485 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.794 -4.430 0.629 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.768 -5.280 1.851 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.192 -0.121 4.637 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.312 0.388 5.350 1.00 6.26 C ATOM 1117 C VAL A 70 -8.185 0.945 4.211 1.00 9.22 C ATOM 1118 O VAL A 70 -7.632 1.654 3.332 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.886 1.492 6.307 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.089 2.071 7.019 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.834 0.957 7.267 1.00 8.54 C ATOM 0 H VAL A 70 -5.783 0.580 4.019 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.819 -0.351 5.971 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.433 2.312 5.749 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.765 2.859 7.699 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.781 2.486 6.286 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.589 1.286 7.586 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.530 1.749 7.952 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.250 0.125 7.836 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.967 0.613 6.702 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.488 0.658 4.138 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.305 1.173 3.060 1.00 16.06 C ATOM 1133 C LEU A 71 -11.001 2.488 3.294 1.00 18.09 C ATOM 1134 O LEU A 71 -11.301 2.882 4.433 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.384 0.156 2.622 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.842 -1.216 2.092 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.992 -2.035 1.415 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.626 -0.979 1.104 1.00 19.57 C ATOM 0 H LEU A 71 -9.987 0.076 4.811 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.558 1.349 2.286 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.043 -0.036 3.469 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.993 0.612 1.842 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.475 -1.804 2.933 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.598 -2.985 1.053 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.781 -2.224 2.143 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.398 -1.468 0.578 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.258 -1.939 0.743 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.956 -0.376 0.259 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.826 -0.459 1.630 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.277 3.236 2.186 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.048 4.435 2.168 1.00 25.83 C ATOM 1152 C ARG A 72 -13.393 4.157 1.597 1.00 27.74 C ATOM 1153 O ARG A 72 -13.738 4.579 0.502 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.277 5.550 1.469 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.791 6.971 1.378 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.825 7.852 0.642 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.249 9.241 1.011 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.469 10.363 0.815 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.217 10.254 0.422 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.947 11.608 1.082 1.00 35.02 N ATOM 0 H ARG A 72 -10.936 2.976 1.261 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.222 4.798 3.181 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.302 5.603 1.953 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.107 5.215 0.446 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.755 6.980 0.870 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.956 7.366 2.381 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.796 7.655 0.943 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.878 7.691 -0.435 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.170 9.365 1.432 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.812 9.332 0.259 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.652 11.091 0.281 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.897 11.725 1.434 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.355 12.425 0.931 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.225 3.428 2.320 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.605 3.106 1.914 1.00 30.76 C ATOM 1176 C LEU A 73 -16.475 4.282 1.896 1.00 32.18 C ATOM 1177 O LEU A 73 -16.342 5.252 2.739 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.280 2.069 2.789 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.367 0.860 2.997 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.986 -0.265 3.762 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -14.886 0.252 1.679 1.00 29.11 C ATOM 0 H LEU A 73 -13.968 3.031 3.223 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.481 2.702 0.909 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.534 2.509 3.753 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.215 1.750 2.328 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.544 1.285 3.571 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.266 -1.078 3.860 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.276 0.085 4.753 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.868 -0.624 3.231 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -14.242 -0.602 1.886 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -15.746 -0.075 1.094 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.327 1.000 1.116 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.336 4.307 0.876 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.973 5.476 0.203 1.00 35.33 C ATOM 1195 C ARG A 74 -18.760 6.384 1.087 1.00 36.22 C ATOM 1196 O ARG A 74 -18.666 7.603 1.003 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.761 5.066 -1.048 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.029 4.275 -2.154 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.793 4.927 -2.737 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.080 4.153 -3.685 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.985 4.680 -4.256 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.375 5.795 -3.934 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.560 4.227 -5.478 1.00 41.93 N ATOM 0 H ARG A 74 -17.644 3.433 0.449 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.126 6.086 -0.112 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.613 4.469 -0.722 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.162 5.974 -1.500 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.745 3.304 -1.749 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.733 4.089 -2.965 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -17.087 5.865 -3.208 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.118 5.179 -1.919 1.00 39.75 H new ATOM 0 HE ARG A 74 -16.392 3.213 -3.929 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -14.730 6.368 -3.169 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.545 6.089 -4.449 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -15.076 3.488 -5.956 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -13.728 4.629 -5.910 1.00 41.93 H new ATOM 1217 N GLY A 75 -19.358 5.741 2.160 1.00 36.31 N ATOM 1218 CA GLY A 75 -20.266 6.312 3.105 1.00 36.07 C ATOM 1219 C GLY A 75 -19.669 6.874 4.334 1.00 36.16 C ATOM 1220 O GLY A 75 -20.319 7.409 5.206 1.00 36.26 O ATOM 0 H GLY A 75 -19.176 4.757 2.355 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -20.827 7.102 2.605 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -20.985 5.545 3.394 1.00 36.07 H new ATOM 1224 N GLY A 76 -18.304 6.895 4.413 1.00 36.05 N ATOM 1225 CA GLY A 76 -17.708 7.593 5.556 1.00 36.19 C ATOM 1226 C GLY A 76 -16.265 7.780 5.271 1.00 36.20 C ATOM 1227 O GLY A 76 -15.916 8.320 4.182 1.00 0.00 O ATOM 1228 OXT GLY A 76 -15.388 7.510 6.141 1.00 0.00 O ATOM 0 H GLY A 76 -17.655 6.470 3.750 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -18.195 8.556 5.711 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -17.845 7.015 6.470 1.00 36.19 H new TER 1232 GLY A 76