USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 55 THR OG1 : rot 119:sc= 1.06 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.874 USER MOD Set 2.1: A 7 THR OG1 : rot -17:sc= 0.611 USER MOD Set 2.2: A 9 THR OG1 : rot -0:sc= 1.19 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -173:sc= 1.2 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot -20:sc= 1.02 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= 2.55 (180deg=2.47) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -67:sc= 0.07 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0441 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.849 K(o=0.85,f=-0.47) USER MOD Single : A 27 LYS NZ :NH3+ -147:sc= 1.73 (180deg=0.0832!) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= -0.0198 (180deg=-0.179) USER MOD Single : A 31 GLN : amide:sc= -0.178 K(o=-0.18,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 X(o=0,f=-0.17) USER MOD Single : A 41 GLN : amide:sc= 1.04 K(o=1,f=-4.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.575 K(o=-0.58,f=-1.1) USER MOD Single : A 59 TYR OH : rot 80:sc= 0.66 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0196 X(o=-0.02,f=-0.036) USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0202) USER MOD Single : A 65 SER OG : rot 86:sc= 1.02 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0229 X(o=0.023,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.614 -7.469 -4.922 1.00 9.67 N ATOM 2 CA MET A 1 11.463 -8.081 -3.607 1.00 10.38 C ATOM 3 C MET A 1 10.009 -8.137 -3.053 1.00 9.62 C ATOM 4 O MET A 1 9.133 -7.494 -3.599 1.00 9.62 O ATOM 5 CB MET A 1 12.383 -7.426 -2.542 1.00 13.77 C ATOM 6 CG MET A 1 11.874 -6.188 -1.922 1.00 16.29 C ATOM 7 SD MET A 1 11.731 -4.760 -3.035 1.00 17.17 S ATOM 8 CE MET A 1 11.215 -3.553 -1.733 1.00 16.11 C ATOM 0 H1 MET A 1 12.623 -7.420 -5.168 1.00 9.67 H new ATOM 0 H2 MET A 1 11.112 -8.041 -5.631 1.00 9.67 H new ATOM 0 H3 MET A 1 11.215 -6.509 -4.906 1.00 9.67 H new ATOM 0 HA MET A 1 11.767 -9.112 -3.786 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.568 -8.155 -1.753 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.345 -7.208 -3.006 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.893 -6.393 -1.494 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.532 -5.919 -1.096 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.062 -2.573 -2.185 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.286 -3.889 -1.273 1.00 16.11 H new ATOM 0 HE3 MET A 1 11.992 -3.484 -0.972 1.00 16.11 H new ATOM 20 N GLN A 2 9.776 -8.856 -1.982 1.00 9.27 N ATOM 21 CA GLN A 2 8.489 -8.990 -1.315 1.00 9.07 C ATOM 22 C GLN A 2 8.330 -7.897 -0.231 1.00 8.72 C ATOM 23 O GLN A 2 9.270 -7.454 0.456 1.00 8.22 O ATOM 24 CB GLN A 2 8.303 -10.408 -0.683 1.00 14.46 C ATOM 25 CG GLN A 2 8.367 -11.474 -1.780 1.00 17.01 C ATOM 26 CD GLN A 2 8.355 -12.979 -1.315 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.446 -13.723 -1.765 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.241 -13.394 -0.397 1.00 19.49 N ATOM 0 H GLN A 2 10.512 -9.394 -1.523 1.00 9.27 H new ATOM 0 HA GLN A 2 7.714 -8.863 -2.071 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.079 -10.590 0.060 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.346 -10.463 -0.164 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.523 -11.320 -2.452 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.273 -11.307 -2.363 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.962 -12.757 -0.060 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.193 -14.347 -0.036 1.00 19.49 H new ATOM 37 N ILE A 3 7.093 -7.494 -0.136 1.00 5.87 N ATOM 38 CA ILE A 3 6.485 -6.684 0.924 1.00 5.07 C ATOM 39 C ILE A 3 5.144 -7.218 1.239 1.00 4.01 C ATOM 40 O ILE A 3 4.594 -8.046 0.529 1.00 4.61 O ATOM 41 CB ILE A 3 6.312 -5.219 0.694 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.408 -4.951 -0.472 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.755 -4.641 0.571 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.031 -3.456 -0.641 1.00 10.83 C ATOM 0 H ILE A 3 6.411 -7.737 -0.854 1.00 5.87 H new ATOM 0 HA ILE A 3 7.220 -6.765 1.725 1.00 5.07 H new ATOM 0 HB ILE A 3 5.800 -4.715 1.514 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.894 -5.299 -1.384 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.495 -5.535 -0.354 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.703 -3.566 0.401 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.305 -4.836 1.492 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.267 -5.116 -0.265 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.376 -3.341 -1.504 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.516 -3.107 0.254 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.936 -2.867 -0.792 1.00 10.83 H new ATOM 56 N PHE A 4 4.624 -6.880 2.415 1.00 4.55 N ATOM 57 CA PHE A 4 3.472 -7.502 2.953 1.00 4.68 C ATOM 58 C PHE A 4 2.432 -6.444 3.325 1.00 5.30 C ATOM 59 O PHE A 4 2.693 -5.459 4.001 1.00 5.58 O ATOM 60 CB PHE A 4 3.875 -8.291 4.315 1.00 4.83 C ATOM 61 CG PHE A 4 5.017 -9.312 3.930 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.904 -10.291 2.926 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.176 -9.304 4.722 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.816 -11.264 2.702 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.161 -10.288 4.447 1.00 10.61 C ATOM 66 CZ PHE A 4 6.979 -11.291 3.469 1.00 8.90 C ATOM 0 H PHE A 4 5.016 -6.151 3.012 1.00 4.55 H new ATOM 0 HA PHE A 4 3.067 -8.187 2.209 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.221 -7.594 5.078 1.00 4.83 H new ATOM 0 HB3 PHE A 4 3.013 -8.814 4.729 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.030 -10.264 2.292 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.313 -8.578 5.510 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.645 -12.010 1.939 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.085 -10.269 5.007 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.723 -12.060 3.320 1.00 8.90 H new ATOM 76 N VAL A 5 1.209 -6.666 2.827 1.00 4.44 N ATOM 77 CA VAL A 5 0.096 -5.775 3.155 1.00 3.87 C ATOM 78 C VAL A 5 -0.963 -6.580 3.883 1.00 4.93 C ATOM 79 O VAL A 5 -1.297 -7.755 3.599 1.00 6.84 O ATOM 80 CB VAL A 5 -0.525 -5.142 1.890 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.554 -4.061 2.174 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.539 -4.546 0.933 1.00 9.13 C ATOM 0 H VAL A 5 0.970 -7.440 2.207 1.00 4.44 H new ATOM 0 HA VAL A 5 0.473 -4.965 3.780 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.029 -5.983 1.414 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.940 -3.670 1.233 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.374 -4.483 2.755 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.087 -3.254 2.738 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.045 -4.115 0.062 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.101 -3.770 1.452 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.220 -5.333 0.611 1.00 9.13 H new ATOM 92 N LYS A 6 -1.577 -5.865 4.869 1.00 6.04 N ATOM 93 CA LYS A 6 -2.449 -6.493 5.877 1.00 6.12 C ATOM 94 C LYS A 6 -3.835 -5.866 5.821 1.00 6.57 C ATOM 95 O LYS A 6 -3.999 -4.697 6.194 1.00 5.76 O ATOM 96 CB LYS A 6 -1.845 -6.176 7.229 1.00 7.45 C ATOM 97 CG LYS A 6 -0.615 -6.883 7.696 1.00 11.12 C ATOM 98 CD LYS A 6 -0.652 -8.369 7.903 1.00 14.54 C ATOM 99 CE LYS A 6 0.769 -9.026 8.034 1.00 18.84 C ATOM 100 NZ LYS A 6 0.892 -10.466 8.335 1.00 20.55 N ATOM 0 H LYS A 6 -1.477 -4.856 4.978 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.531 -7.566 5.701 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.626 -5.108 7.241 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.619 -6.351 7.976 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.176 -6.673 6.976 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.315 -6.429 8.640 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.227 -8.587 8.803 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.180 -8.830 7.068 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.298 -8.844 7.098 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.306 -8.485 8.813 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.891 -10.702 8.502 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.336 -10.692 9.185 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.535 -11.020 7.531 1.00 20.55 H new ATOM 114 N THR A 7 -4.877 -6.665 5.503 1.00 7.41 N ATOM 115 CA THR A 7 -6.258 -6.248 5.400 1.00 7.48 C ATOM 116 C THR A 7 -6.819 -5.786 6.729 1.00 8.75 C ATOM 117 O THR A 7 -6.149 -5.690 7.746 1.00 8.58 O ATOM 118 CB THR A 7 -7.137 -7.250 4.736 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.388 -8.350 5.568 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.476 -7.847 3.483 1.00 9.17 C ATOM 0 H THR A 7 -4.754 -7.658 5.306 1.00 7.41 H new ATOM 0 HA THR A 7 -6.250 -5.383 4.737 1.00 7.48 H new ATOM 0 HB THR A 7 -8.050 -6.707 4.492 1.00 9.61 H new ATOM 0 HG1 THR A 7 -6.729 -8.368 6.294 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.149 -8.573 3.028 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.264 -7.051 2.769 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.545 -8.340 3.763 1.00 9.17 H new ATOM 128 N LEU A 8 -8.160 -5.538 6.783 1.00 9.84 N ATOM 129 CA LEU A 8 -8.923 -5.263 7.976 1.00 14.15 C ATOM 130 C LEU A 8 -9.780 -6.501 8.280 1.00 17.37 C ATOM 131 O LEU A 8 -10.850 -6.496 8.803 1.00 17.01 O ATOM 132 CB LEU A 8 -9.904 -4.092 7.694 1.00 16.63 C ATOM 133 CG LEU A 8 -9.171 -2.737 7.451 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.172 -1.656 7.244 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.241 -2.397 8.649 1.00 18.59 C ATOM 0 H LEU A 8 -8.738 -5.531 5.943 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.252 -5.016 8.799 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.510 -4.334 6.821 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.587 -3.985 8.537 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.553 -2.824 6.557 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.657 -0.711 7.075 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.790 -1.893 6.378 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.804 -1.571 8.128 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.738 -1.448 8.461 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.835 -2.319 9.560 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.497 -3.185 8.767 1.00 18.59 H new ATOM 147 N THR A 9 -9.200 -7.708 8.023 1.00 18.33 N ATOM 148 CA THR A 9 -9.829 -8.999 8.295 1.00 19.24 C ATOM 149 C THR A 9 -8.780 -10.080 8.655 1.00 19.48 C ATOM 150 O THR A 9 -9.038 -11.292 8.686 1.00 23.14 O ATOM 151 CB THR A 9 -10.456 -9.742 7.079 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.669 -9.772 5.861 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.730 -8.995 6.775 1.00 19.70 C ATOM 0 H THR A 9 -8.269 -7.794 7.615 1.00 18.33 H new ATOM 0 HA THR A 9 -10.554 -8.699 9.051 1.00 19.24 H new ATOM 0 HB THR A 9 -10.566 -10.788 7.365 1.00 18.97 H new ATOM 0 HG1 THR A 9 -8.826 -9.294 6.005 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.231 -9.461 5.926 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.386 -9.025 7.645 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.495 -7.958 6.534 1.00 19.70 H new ATOM 161 N GLY A 10 -7.529 -9.665 8.949 1.00 19.43 N ATOM 162 CA GLY A 10 -6.504 -10.695 9.385 1.00 18.74 C ATOM 163 C GLY A 10 -5.721 -11.320 8.316 1.00 17.62 C ATOM 164 O GLY A 10 -4.828 -12.087 8.592 1.00 19.74 O ATOM 0 H GLY A 10 -7.199 -8.701 8.905 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.814 -10.218 10.081 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.021 -11.481 9.936 1.00 18.74 H new ATOM 168 N LYS A 11 -5.972 -10.948 7.061 1.00 13.56 N ATOM 169 CA LYS A 11 -5.394 -11.547 5.902 1.00 11.91 C ATOM 170 C LYS A 11 -4.121 -10.781 5.444 1.00 10.18 C ATOM 171 O LYS A 11 -4.008 -9.550 5.555 1.00 9.10 O ATOM 172 CB LYS A 11 -6.427 -11.495 4.808 1.00 13.43 C ATOM 173 CG LYS A 11 -6.009 -11.998 3.372 1.00 16.69 C ATOM 174 CD LYS A 11 -7.168 -11.991 2.352 1.00 17.92 C ATOM 175 CE LYS A 11 -6.860 -12.527 0.964 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.662 -14.015 0.990 1.00 21.93 N ATOM 0 H LYS A 11 -6.613 -10.187 6.836 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.099 -12.572 6.128 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.286 -12.083 5.131 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.764 -10.463 4.715 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.202 -11.369 2.997 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.613 -13.010 3.452 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.990 -12.574 2.767 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.525 -10.966 2.249 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.676 -12.278 0.285 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.963 -12.045 0.575 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.453 -14.354 0.029 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -5.868 -14.249 1.620 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.527 -14.474 1.339 1.00 21.93 H new ATOM 190 N THR A 12 -3.134 -11.519 5.004 1.00 9.63 N ATOM 191 CA THR A 12 -1.819 -11.039 4.472 1.00 9.85 C ATOM 192 C THR A 12 -1.785 -11.206 2.933 1.00 11.66 C ATOM 193 O THR A 12 -2.133 -12.281 2.417 1.00 12.33 O ATOM 194 CB THR A 12 -0.610 -11.811 4.960 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.609 -11.792 6.393 1.00 10.91 O ATOM 196 CG2 THR A 12 0.686 -11.065 4.660 1.00 9.63 C ATOM 0 H THR A 12 -3.199 -12.537 4.994 1.00 9.63 H new ATOM 0 HA THR A 12 -1.755 -10.008 4.820 1.00 9.85 H new ATOM 0 HB THR A 12 -0.661 -12.794 4.492 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.166 -11.051 6.711 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.533 -11.647 5.023 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.781 -10.919 3.584 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.671 -10.096 5.158 1.00 9.63 H new ATOM 204 N ILE A 13 -1.532 -10.125 2.119 1.00 10.42 N ATOM 205 CA ILE A 13 -1.089 -10.265 0.797 1.00 11.84 C ATOM 206 C ILE A 13 0.347 -9.774 0.602 1.00 10.55 C ATOM 207 O ILE A 13 0.716 -8.593 0.693 1.00 11.92 O ATOM 208 CB ILE A 13 -2.058 -9.656 -0.135 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.323 -8.129 0.079 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.418 -10.515 0.007 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.465 -7.539 -0.736 1.00 16.46 C ATOM 0 H ILE A 13 -1.648 -9.156 2.417 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.045 -11.328 0.562 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.641 -9.693 -1.141 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.529 -7.959 1.136 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.410 -7.583 -0.160 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.176 -10.109 -0.663 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.221 -11.554 -0.256 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.776 -10.462 1.035 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.562 -6.477 -0.511 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.258 -7.668 -1.798 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.394 -8.049 -0.483 1.00 16.46 H new ATOM 223 N THR A 14 1.153 -10.713 0.167 1.00 9.39 N ATOM 224 CA THR A 14 2.495 -10.531 -0.344 1.00 9.63 C ATOM 225 C THR A 14 2.366 -9.746 -1.662 1.00 11.20 C ATOM 226 O THR A 14 1.706 -10.144 -2.636 1.00 11.63 O ATOM 227 CB THR A 14 3.250 -11.804 -0.640 1.00 10.38 C ATOM 228 OG1 THR A 14 3.270 -12.543 0.553 1.00 16.30 O ATOM 229 CG2 THR A 14 4.646 -11.486 -1.140 1.00 11.66 C ATOM 0 H THR A 14 0.871 -11.693 0.159 1.00 9.39 H new ATOM 0 HA THR A 14 3.063 -10.020 0.434 1.00 9.63 H new ATOM 0 HB THR A 14 2.771 -12.384 -1.429 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.820 -12.078 1.217 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.178 -12.414 -1.349 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.579 -10.893 -2.052 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.185 -10.922 -0.379 1.00 11.66 H new ATOM 237 N LEU A 15 3.203 -8.683 -1.787 1.00 8.29 N ATOM 238 CA LEU A 15 3.411 -8.007 -3.056 1.00 9.03 C ATOM 239 C LEU A 15 4.838 -8.058 -3.455 1.00 8.59 C ATOM 240 O LEU A 15 5.758 -7.810 -2.655 1.00 7.79 O ATOM 241 CB LEU A 15 2.834 -6.550 -2.993 1.00 11.08 C ATOM 242 CG LEU A 15 1.345 -6.341 -2.636 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.057 -4.866 -2.565 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.411 -6.958 -3.709 1.00 15.27 C ATOM 0 H LEU A 15 3.737 -8.289 -1.012 1.00 8.29 H new ATOM 0 HA LEU A 15 2.862 -8.529 -3.840 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.426 -5.994 -2.266 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.006 -6.087 -3.965 1.00 11.08 H new ATOM 0 HG LEU A 15 1.160 -6.829 -1.679 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.008 -4.712 -2.313 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.685 -4.409 -1.800 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.270 -4.407 -3.530 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.628 -6.792 -3.425 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.604 -6.487 -4.673 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.600 -8.029 -3.784 1.00 15.27 H new ATOM 256 N GLU A 16 5.026 -8.312 -4.784 1.00 11.04 N ATOM 257 CA GLU A 16 6.330 -8.242 -5.413 1.00 11.50 C ATOM 258 C GLU A 16 6.528 -6.859 -5.932 1.00 10.13 C ATOM 259 O GLU A 16 5.755 -6.395 -6.805 1.00 9.83 O ATOM 260 CB GLU A 16 6.337 -9.204 -6.672 1.00 17.22 C ATOM 261 CG GLU A 16 7.676 -9.244 -7.401 1.00 23.33 C ATOM 262 CD GLU A 16 8.927 -9.346 -6.526 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.144 -10.456 -5.953 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.833 -8.480 -6.606 1.00 28.90 O ATOM 0 H GLU A 16 4.271 -8.566 -5.421 1.00 11.04 H new ATOM 0 HA GLU A 16 7.102 -8.518 -4.695 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.078 -10.213 -6.350 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.563 -8.883 -7.369 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.667 -10.093 -8.084 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.759 -8.345 -8.011 1.00 23.33 H new ATOM 271 N VAL A 17 7.485 -6.099 -5.388 1.00 8.99 N ATOM 272 CA VAL A 17 7.826 -4.740 -5.828 1.00 8.85 C ATOM 273 C VAL A 17 9.320 -4.479 -6.011 1.00 8.04 C ATOM 274 O VAL A 17 10.181 -5.305 -5.746 1.00 8.99 O ATOM 275 CB VAL A 17 7.202 -3.700 -4.863 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.666 -3.784 -4.926 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.788 -3.884 -3.478 1.00 10.54 C ATOM 0 H VAL A 17 8.059 -6.420 -4.609 1.00 8.99 H new ATOM 0 HA VAL A 17 7.399 -4.636 -6.826 1.00 8.85 H new ATOM 0 HB VAL A 17 7.452 -2.683 -5.164 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.233 -3.051 -4.246 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.332 -3.577 -5.943 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.344 -4.784 -4.634 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.350 -3.153 -2.798 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.568 -4.890 -3.121 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.868 -3.741 -3.518 1.00 10.54 H new ATOM 287 N GLU A 18 9.741 -3.323 -6.430 1.00 7.29 N ATOM 288 CA GLU A 18 11.098 -2.802 -6.239 1.00 7.08 C ATOM 289 C GLU A 18 10.984 -1.383 -5.625 1.00 6.45 C ATOM 290 O GLU A 18 10.020 -0.686 -5.824 1.00 5.28 O ATOM 291 CB GLU A 18 11.859 -2.586 -7.542 1.00 10.28 C ATOM 292 CG GLU A 18 12.095 -3.817 -8.367 1.00 12.65 C ATOM 293 CD GLU A 18 12.886 -4.849 -7.605 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.865 -4.564 -6.927 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.554 -6.052 -7.853 1.00 18.17 O ATOM 0 H GLU A 18 9.137 -2.676 -6.938 1.00 7.29 H new ATOM 0 HA GLU A 18 11.620 -3.535 -5.624 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.310 -1.865 -8.147 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.824 -2.137 -7.308 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.138 -4.242 -8.671 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.628 -3.548 -9.279 1.00 12.65 H new ATOM 302 N PRO A 19 11.979 -0.909 -4.844 1.00 7.24 N ATOM 303 CA PRO A 19 12.048 0.380 -4.175 1.00 7.07 C ATOM 304 C PRO A 19 11.679 1.585 -4.996 1.00 6.65 C ATOM 305 O PRO A 19 11.259 2.603 -4.479 1.00 6.37 O ATOM 306 CB PRO A 19 13.492 0.401 -3.613 1.00 7.61 C ATOM 307 CG PRO A 19 13.778 -1.064 -3.310 1.00 8.16 C ATOM 308 CD PRO A 19 13.242 -1.647 -4.581 1.00 7.49 C ATOM 0 HA PRO A 19 11.282 0.466 -3.404 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.199 0.806 -4.337 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.565 1.018 -2.717 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.838 -1.269 -3.162 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.257 -1.425 -2.423 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.949 -1.522 -5.401 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.059 -2.717 -4.478 1.00 7.49 H new ATOM 316 N SER A 20 11.812 1.470 -6.322 1.00 6.80 N ATOM 317 CA SER A 20 11.467 2.511 -7.298 1.00 6.28 C ATOM 318 C SER A 20 9.979 2.821 -7.502 1.00 8.45 C ATOM 319 O SER A 20 9.643 3.976 -7.780 1.00 7.26 O ATOM 320 CB SER A 20 12.068 2.170 -8.694 1.00 8.57 C ATOM 321 OG SER A 20 11.941 0.747 -8.959 1.00 11.13 O ATOM 0 H SER A 20 12.174 0.623 -6.760 1.00 6.80 H new ATOM 0 HA SER A 20 11.898 3.406 -6.849 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.554 2.739 -9.469 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.118 2.462 -8.728 1.00 8.57 H new ATOM 0 HG SER A 20 12.320 0.543 -9.839 1.00 11.13 H new ATOM 327 N ASP A 21 9.132 1.768 -7.381 1.00 7.50 N ATOM 328 CA ASP A 21 7.700 1.878 -7.289 1.00 7.70 C ATOM 329 C ASP A 21 6.973 2.875 -6.372 1.00 7.08 C ATOM 330 O ASP A 21 7.266 3.038 -5.228 1.00 8.11 O ATOM 331 CB ASP A 21 7.200 0.431 -7.074 1.00 11.00 C ATOM 332 CG ASP A 21 7.288 -0.453 -8.284 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.870 0.080 -9.348 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.725 -1.632 -8.257 1.00 18.03 O ATOM 0 H ASP A 21 9.461 0.803 -7.346 1.00 7.50 H new ATOM 0 HA ASP A 21 7.426 2.381 -8.217 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.778 -0.022 -6.268 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.162 0.466 -6.742 1.00 11.00 H new ATOM 339 N THR A 22 5.964 3.538 -7.013 1.00 5.37 N ATOM 340 CA THR A 22 5.093 4.463 -6.324 1.00 6.01 C ATOM 341 C THR A 22 4.022 3.707 -5.566 1.00 8.01 C ATOM 342 O THR A 22 3.705 2.569 -5.823 1.00 8.11 O ATOM 343 CB THR A 22 4.367 5.483 -7.237 1.00 8.92 C ATOM 344 OG1 THR A 22 3.710 4.787 -8.331 1.00 10.22 O ATOM 345 CG2 THR A 22 5.388 6.411 -7.851 1.00 9.65 C ATOM 0 H THR A 22 5.757 3.430 -8.006 1.00 5.37 H new ATOM 0 HA THR A 22 5.759 5.022 -5.667 1.00 6.01 H new ATOM 0 HB THR A 22 3.640 6.032 -6.639 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.252 5.437 -8.904 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.884 7.132 -8.495 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.920 6.941 -7.061 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.098 5.832 -8.441 1.00 9.65 H new ATOM 353 N ILE A 23 3.491 4.364 -4.517 1.00 8.32 N ATOM 354 CA ILE A 23 2.420 3.882 -3.604 1.00 9.92 C ATOM 355 C ILE A 23 1.133 3.610 -4.393 1.00 10.01 C ATOM 356 O ILE A 23 0.377 2.647 -4.127 1.00 8.71 O ATOM 357 CB ILE A 23 2.285 4.820 -2.456 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.616 4.971 -1.615 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.029 4.538 -1.595 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.903 3.700 -0.811 1.00 12.30 C ATOM 0 H ILE A 23 3.811 5.299 -4.264 1.00 8.32 H new ATOM 0 HA ILE A 23 2.680 2.920 -3.162 1.00 9.92 H new ATOM 0 HB ILE A 23 2.118 5.805 -2.891 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.451 5.179 -2.284 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.529 5.822 -0.939 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.983 5.253 -0.773 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.136 4.636 -2.212 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.083 3.526 -1.193 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.823 3.830 -0.242 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.077 3.508 -0.126 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.014 2.856 -1.492 1.00 12.30 H new ATOM 372 N GLU A 24 0.821 4.445 -5.449 1.00 9.54 N ATOM 373 CA GLU A 24 -0.150 4.078 -6.483 1.00 11.81 C ATOM 374 C GLU A 24 0.086 2.662 -7.164 1.00 11.14 C ATOM 375 O GLU A 24 -0.824 1.862 -7.130 1.00 10.62 O ATOM 376 CB GLU A 24 -0.173 5.074 -7.624 1.00 19.24 C ATOM 377 CG GLU A 24 -1.190 4.931 -8.708 1.00 27.76 C ATOM 378 CD GLU A 24 -1.065 6.051 -9.765 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.010 6.277 -10.441 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.110 6.791 -9.834 1.00 36.51 O ATOM 0 H GLU A 24 1.240 5.365 -5.582 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.085 4.058 -5.924 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.298 6.066 -7.189 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.810 5.054 -8.094 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.072 3.961 -9.191 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.189 4.951 -8.273 1.00 27.76 H new ATOM 387 N ASN A 25 1.328 2.335 -7.604 1.00 9.43 N ATOM 388 CA ASN A 25 1.604 0.995 -8.227 1.00 10.96 C ATOM 389 C ASN A 25 1.277 -0.159 -7.220 1.00 9.68 C ATOM 390 O ASN A 25 0.757 -1.220 -7.633 1.00 9.33 O ATOM 391 CB ASN A 25 3.070 0.779 -8.716 1.00 16.78 C ATOM 392 CG ASN A 25 3.457 1.875 -9.737 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.672 2.759 -10.232 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.703 1.803 -10.157 1.00 24.70 N ATOM 0 H ASN A 25 2.138 2.952 -7.547 1.00 9.43 H new ATOM 0 HA ASN A 25 0.958 0.976 -9.105 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.752 0.805 -7.867 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.168 -0.206 -9.173 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.038 2.448 -10.872 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.333 1.102 -9.767 1.00 24.70 H new ATOM 401 N VAL A 26 1.533 0.045 -5.917 1.00 6.52 N ATOM 402 CA VAL A 26 1.201 -0.867 -4.812 1.00 5.53 C ATOM 403 C VAL A 26 -0.389 -1.013 -4.772 1.00 4.42 C ATOM 404 O VAL A 26 -0.922 -2.115 -4.639 1.00 3.40 O ATOM 405 CB VAL A 26 1.695 -0.346 -3.455 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.480 -1.513 -2.415 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.242 -0.109 -3.465 1.00 8.12 C ATOM 0 H VAL A 26 2.000 0.891 -5.591 1.00 6.52 H new ATOM 0 HA VAL A 26 1.694 -1.823 -4.986 1.00 5.53 H new ATOM 0 HB VAL A 26 1.166 0.579 -3.224 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.818 -1.190 -1.430 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.422 -1.769 -2.369 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.052 -2.387 -2.726 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.560 0.260 -2.490 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.752 -1.047 -3.682 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.493 0.626 -4.230 1.00 8.12 H new ATOM 417 N LYS A 27 -1.137 0.154 -4.781 1.00 2.64 N ATOM 418 CA LYS A 27 -2.573 0.050 -4.742 1.00 4.14 C ATOM 419 C LYS A 27 -3.115 -0.659 -5.959 1.00 5.58 C ATOM 420 O LYS A 27 -4.053 -1.409 -5.844 1.00 4.11 O ATOM 421 CB LYS A 27 -3.175 1.459 -4.566 1.00 3.97 C ATOM 422 CG LYS A 27 -2.719 2.076 -3.227 1.00 7.45 C ATOM 423 CD LYS A 27 -3.327 3.432 -3.014 1.00 9.02 C ATOM 424 CE LYS A 27 -2.916 4.102 -1.640 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.438 5.457 -1.543 1.00 15.47 N ATOM 0 H LYS A 27 -0.759 1.101 -4.813 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.867 -0.562 -3.889 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.866 2.099 -5.392 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.263 1.403 -4.596 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.000 1.416 -2.406 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.632 2.157 -3.213 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.028 4.087 -3.832 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.413 3.345 -3.056 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.294 3.503 -0.812 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.830 4.120 -1.551 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.774 6.047 -1.002 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.554 5.853 -2.497 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.359 5.440 -1.061 1.00 15.47 H new ATOM 439 N ALA A 28 -2.563 -0.400 -7.159 1.00 6.61 N ATOM 440 CA ALA A 28 -3.004 -1.058 -8.411 1.00 7.74 C ATOM 441 C ALA A 28 -2.775 -2.585 -8.291 1.00 9.17 C ATOM 442 O ALA A 28 -3.642 -3.382 -8.675 1.00 11.45 O ATOM 443 CB ALA A 28 -2.143 -0.497 -9.575 1.00 7.68 C ATOM 0 H ALA A 28 -1.803 0.267 -7.292 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.061 -0.867 -8.594 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.447 -0.965 -10.511 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.285 0.581 -9.646 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.091 -0.713 -9.386 1.00 7.68 H new ATOM 449 N LYS A 29 -1.632 -2.999 -7.638 1.00 8.96 N ATOM 450 CA LYS A 29 -1.446 -4.419 -7.404 1.00 7.90 C ATOM 451 C LYS A 29 -2.409 -5.061 -6.358 1.00 6.92 C ATOM 452 O LYS A 29 -2.889 -6.208 -6.570 1.00 6.87 O ATOM 453 CB LYS A 29 -0.023 -4.708 -6.943 1.00 10.28 C ATOM 454 CG LYS A 29 1.015 -4.334 -7.997 1.00 14.94 C ATOM 455 CD LYS A 29 2.428 -4.426 -7.359 1.00 19.69 C ATOM 456 CE LYS A 29 3.625 -4.021 -8.325 1.00 22.63 C ATOM 457 NZ LYS A 29 3.468 -4.752 -9.588 1.00 24.98 N ATOM 0 H LYS A 29 -0.889 -2.389 -7.297 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.671 -4.869 -8.371 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.179 -4.155 -6.026 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.071 -5.767 -6.704 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.943 -5.005 -8.853 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.832 -3.325 -8.366 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.456 -3.783 -6.479 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.589 -5.447 -7.013 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.620 -2.946 -8.506 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.583 -4.262 -7.864 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.337 -4.662 -10.152 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.288 -5.756 -9.388 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.667 -4.356 -10.121 1.00 24.98 H new ATOM 471 N ILE A 30 -2.772 -4.335 -5.272 1.00 4.57 N ATOM 472 CA ILE A 30 -3.956 -4.620 -4.416 1.00 5.58 C ATOM 473 C ILE A 30 -5.255 -4.719 -5.157 1.00 7.26 C ATOM 474 O ILE A 30 -5.987 -5.640 -4.911 1.00 9.46 O ATOM 475 CB ILE A 30 -4.034 -3.765 -3.208 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.826 -3.979 -2.332 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.380 -3.977 -2.395 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.586 -2.799 -1.400 1.00 2.00 C ATOM 0 H ILE A 30 -2.243 -3.521 -4.959 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.778 -5.631 -4.050 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.041 -2.729 -3.546 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.961 -4.886 -1.743 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.946 -4.133 -2.957 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.383 -3.326 -1.521 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.231 -3.735 -3.031 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.451 -5.016 -2.074 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.707 -2.993 -0.786 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.425 -1.897 -1.990 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.455 -2.661 -0.756 1.00 2.00 H new ATOM 490 N GLN A 31 -5.581 -3.819 -6.135 1.00 7.06 N ATOM 491 CA GLN A 31 -6.817 -4.086 -6.947 1.00 8.67 C ATOM 492 C GLN A 31 -6.738 -5.330 -7.692 1.00 10.90 C ATOM 493 O GLN A 31 -7.669 -6.196 -7.693 1.00 9.63 O ATOM 494 CB GLN A 31 -7.284 -2.980 -7.866 1.00 9.12 C ATOM 495 CG GLN A 31 -8.698 -3.197 -8.502 1.00 10.76 C ATOM 496 CD GLN A 31 -9.055 -1.910 -9.325 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.148 -1.256 -9.828 1.00 14.48 O ATOM 498 NE2 GLN A 31 -10.411 -1.558 -9.495 1.00 14.76 N ATOM 0 H GLN A 31 -5.060 -2.974 -6.370 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.578 -4.156 -6.170 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -7.294 -2.044 -7.307 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.556 -2.864 -8.669 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.696 -4.075 -9.148 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.443 -3.373 -7.726 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -11.142 -2.123 -9.063 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -10.660 -0.739 -10.049 1.00 14.76 H new ATOM 507 N ASP A 32 -5.659 -5.592 -8.365 1.00 10.93 N ATOM 508 CA ASP A 32 -5.502 -6.801 -9.134 1.00 14.01 C ATOM 509 C ASP A 32 -5.623 -8.180 -8.324 1.00 14.04 C ATOM 510 O ASP A 32 -6.261 -9.142 -8.709 1.00 13.39 O ATOM 511 CB ASP A 32 -4.211 -6.717 -9.943 1.00 18.01 C ATOM 512 CG ASP A 32 -4.028 -7.753 -10.893 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.884 -7.946 -11.794 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.933 -8.374 -10.947 1.00 26.29 O ATOM 0 H ASP A 32 -4.851 -4.970 -8.400 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.366 -6.845 -9.797 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.188 -5.760 -10.464 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.367 -6.725 -9.253 1.00 18.01 H new ATOM 519 N LYS A 33 -4.989 -8.216 -7.115 1.00 14.22 N ATOM 520 CA LYS A 33 -5.091 -9.262 -6.136 1.00 14.00 C ATOM 521 C LYS A 33 -6.499 -9.400 -5.568 1.00 12.37 C ATOM 522 O LYS A 33 -7.098 -10.470 -5.670 1.00 12.17 O ATOM 523 CB LYS A 33 -4.090 -8.986 -4.931 1.00 18.62 C ATOM 524 CG LYS A 33 -2.578 -9.067 -5.223 1.00 24.00 C ATOM 525 CD LYS A 33 -2.085 -10.559 -5.066 1.00 27.61 C ATOM 526 CE LYS A 33 -0.574 -10.671 -5.164 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.179 -12.121 -4.891 1.00 30.06 N ATOM 0 H LYS A 33 -4.370 -7.464 -6.813 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.836 -10.189 -6.649 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.303 -7.992 -4.539 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.317 -9.697 -4.137 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.373 -8.710 -6.232 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.030 -8.419 -4.539 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.416 -10.951 -4.104 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.545 -11.176 -5.838 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.235 -10.365 -6.154 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.097 -10.006 -4.444 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.855 -12.217 -4.954 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.495 -12.393 -3.938 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.628 -12.741 -5.595 1.00 30.06 H new ATOM 541 N GLU A 34 -7.029 -8.332 -4.881 1.00 10.11 N ATOM 542 CA GLU A 34 -8.272 -8.418 -4.079 1.00 10.07 C ATOM 543 C GLU A 34 -9.445 -7.552 -4.448 1.00 9.32 C ATOM 544 O GLU A 34 -10.506 -7.472 -3.765 1.00 11.61 O ATOM 545 CB GLU A 34 -8.014 -8.238 -2.591 1.00 14.77 C ATOM 546 CG GLU A 34 -7.010 -9.284 -2.023 1.00 18.75 C ATOM 547 CD GLU A 34 -7.644 -10.688 -2.004 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.719 -10.856 -1.439 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.023 -11.568 -2.487 1.00 25.19 O ATOM 0 H GLU A 34 -6.602 -7.406 -4.876 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.580 -9.431 -4.337 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.627 -7.235 -2.413 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.958 -8.316 -2.051 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.105 -9.296 -2.631 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.712 -9.000 -1.014 1.00 18.75 H new ATOM 556 N GLY A 35 -9.432 -6.868 -5.589 1.00 7.22 N ATOM 557 CA GLY A 35 -10.621 -6.302 -6.176 1.00 6.29 C ATOM 558 C GLY A 35 -11.032 -5.035 -5.523 1.00 6.93 C ATOM 559 O GLY A 35 -12.204 -4.647 -5.555 1.00 7.41 O ATOM 0 H GLY A 35 -8.584 -6.695 -6.129 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.447 -6.120 -7.237 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.435 -7.023 -6.106 1.00 6.29 H new ATOM 563 N ILE A 36 -10.024 -4.293 -4.965 1.00 5.86 N ATOM 564 CA ILE A 36 -10.238 -3.065 -4.254 1.00 6.07 C ATOM 565 C ILE A 36 -9.802 -1.841 -5.035 1.00 6.36 C ATOM 566 O ILE A 36 -8.627 -1.700 -5.288 1.00 6.18 O ATOM 567 CB ILE A 36 -9.586 -3.062 -2.863 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.776 -4.436 -2.203 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.270 -1.961 -1.955 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.097 -4.554 -0.797 1.00 9.49 C ATOM 0 H ILE A 36 -9.042 -4.565 -5.017 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.318 -3.007 -4.122 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.523 -2.844 -2.969 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.843 -4.636 -2.100 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.369 -5.205 -2.860 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.805 -1.962 -0.969 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.144 -0.981 -2.415 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.333 -2.181 -1.855 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.272 -5.550 -0.391 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.025 -4.386 -0.896 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.521 -3.808 -0.124 1.00 9.49 H new ATOM 582 N PRO A 37 -10.652 -0.888 -5.403 1.00 8.65 N ATOM 583 CA PRO A 37 -10.286 0.301 -6.145 1.00 9.18 C ATOM 584 C PRO A 37 -9.178 1.164 -5.520 1.00 9.85 C ATOM 585 O PRO A 37 -9.419 1.669 -4.442 1.00 8.51 O ATOM 586 CB PRO A 37 -11.540 1.182 -6.195 1.00 11.42 C ATOM 587 CG PRO A 37 -12.613 0.163 -6.341 1.00 9.27 C ATOM 588 CD PRO A 37 -12.137 -0.983 -5.423 1.00 8.33 C ATOM 0 HA PRO A 37 -9.906 -0.041 -7.108 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.660 1.777 -5.289 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.519 1.878 -7.033 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.583 0.552 -6.030 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.718 -0.166 -7.375 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.550 -0.879 -4.420 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.463 -1.951 -5.803 1.00 8.33 H new ATOM 596 N PRO A 38 -8.059 1.532 -6.264 1.00 8.71 N ATOM 597 CA PRO A 38 -7.029 2.445 -5.859 1.00 9.08 C ATOM 598 C PRO A 38 -7.371 3.823 -5.325 1.00 9.28 C ATOM 599 O PRO A 38 -6.515 4.451 -4.753 1.00 6.50 O ATOM 600 CB PRO A 38 -6.092 2.567 -7.119 1.00 10.31 C ATOM 601 CG PRO A 38 -6.328 1.253 -7.856 1.00 10.81 C ATOM 602 CD PRO A 38 -7.771 0.969 -7.566 1.00 12.00 C ATOM 0 HA PRO A 38 -6.598 2.013 -4.956 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.355 3.427 -7.735 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.047 2.687 -6.834 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.141 1.349 -8.926 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.677 0.460 -7.489 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.412 1.412 -8.328 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.962 -0.104 -7.573 1.00 12.00 H new ATOM 610 N ASP A 39 -8.623 4.282 -5.540 1.00 11.20 N ATOM 611 CA ASP A 39 -9.172 5.508 -4.923 1.00 14.96 C ATOM 612 C ASP A 39 -10.048 5.204 -3.691 1.00 13.99 C ATOM 613 O ASP A 39 -10.731 6.060 -3.127 1.00 13.75 O ATOM 614 CB ASP A 39 -9.970 6.317 -5.902 1.00 24.16 C ATOM 615 CG ASP A 39 -9.138 6.938 -6.995 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.675 8.095 -6.802 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.967 6.376 -8.085 1.00 34.22 O ATOM 0 H ASP A 39 -9.286 3.807 -6.152 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.306 6.087 -4.601 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.729 5.679 -6.354 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.496 7.106 -5.365 1.00 24.16 H new ATOM 622 N GLN A 40 -10.061 3.962 -3.211 1.00 11.60 N ATOM 623 CA GLN A 40 -10.714 3.633 -1.950 1.00 10.76 C ATOM 624 C GLN A 40 -9.611 3.288 -1.001 1.00 8.01 C ATOM 625 O GLN A 40 -9.786 3.282 0.207 1.00 8.96 O ATOM 626 CB GLN A 40 -11.706 2.460 -2.177 1.00 11.14 C ATOM 627 CG GLN A 40 -12.670 2.272 -1.007 1.00 14.85 C ATOM 628 CD GLN A 40 -13.395 0.903 -1.132 1.00 16.11 C ATOM 629 OE1 GLN A 40 -12.808 -0.110 -0.820 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.716 0.844 -1.509 1.00 18.16 N ATOM 0 H GLN A 40 -9.625 3.167 -3.679 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.304 4.454 -1.543 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.277 2.643 -3.088 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.144 1.539 -2.332 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.125 2.320 -0.064 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.401 3.080 -0.994 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.210 1.697 -1.772 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.202 -0.053 -1.526 1.00 18.16 H new ATOM 639 N GLN A 41 -8.456 2.915 -1.517 1.00 6.52 N ATOM 640 CA GLN A 41 -7.319 2.564 -0.670 1.00 3.87 C ATOM 641 C GLN A 41 -6.533 3.701 -0.111 1.00 4.79 C ATOM 642 O GLN A 41 -6.135 4.628 -0.845 1.00 6.34 O ATOM 643 CB GLN A 41 -6.414 1.649 -1.443 1.00 4.20 C ATOM 644 CG GLN A 41 -7.013 0.390 -2.015 1.00 3.20 C ATOM 645 CD GLN A 41 -5.839 -0.356 -2.761 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.754 -0.372 -2.205 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.142 -0.907 -3.936 1.00 7.13 N ATOM 0 H GLN A 41 -8.274 2.845 -2.518 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.748 2.084 0.209 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.984 2.220 -2.266 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.590 1.362 -0.790 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.432 -0.235 -1.226 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.826 0.623 -2.703 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.089 -0.830 -4.306 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.427 -1.406 -4.465 1.00 7.13 H new ATOM 656 N ARG A 42 -6.125 3.540 1.146 1.00 5.73 N ATOM 657 CA ARG A 42 -5.076 4.354 1.785 1.00 6.97 C ATOM 658 C ARG A 42 -4.033 3.369 2.274 1.00 7.15 C ATOM 659 O ARG A 42 -4.449 2.252 2.585 1.00 7.33 O ATOM 660 CB ARG A 42 -5.525 5.212 2.995 1.00 13.23 C ATOM 661 CG ARG A 42 -6.862 5.977 2.713 1.00 21.27 C ATOM 662 CD ARG A 42 -7.017 7.138 3.676 1.00 26.14 C ATOM 663 NE ARG A 42 -7.831 8.237 3.009 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.128 8.533 3.302 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.824 7.730 4.129 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.744 9.479 2.621 1.00 36.39 N ATOM 0 H ARG A 42 -6.516 2.830 1.765 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.729 5.073 1.043 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -5.653 4.570 3.866 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.742 5.930 3.240 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.870 6.344 1.687 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.707 5.296 2.815 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.512 6.805 4.588 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.038 7.519 3.965 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.371 8.794 2.289 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.380 6.905 4.532 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.795 7.947 4.352 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.249 9.981 1.883 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.715 9.709 2.832 1.00 36.39 H new ATOM 680 N LEU A 43 -2.737 3.751 2.486 1.00 4.65 N ATOM 681 CA LEU A 43 -1.733 2.822 3.023 1.00 3.51 C ATOM 682 C LEU A 43 -0.986 3.465 4.158 1.00 5.56 C ATOM 683 O LEU A 43 -0.687 4.607 4.068 1.00 4.19 O ATOM 684 CB LEU A 43 -0.782 2.513 1.907 1.00 3.74 C ATOM 685 CG LEU A 43 -1.352 1.415 0.974 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.313 1.191 -0.123 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.771 0.141 1.618 1.00 6.41 C ATOM 0 H LEU A 43 -2.381 4.687 2.291 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.209 1.916 3.400 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.586 3.418 1.331 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.172 2.185 2.319 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.301 1.780 0.582 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.669 0.423 -0.810 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.154 2.121 -0.669 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.627 0.869 0.326 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.151 -0.543 0.859 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.915 -0.312 2.119 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.554 0.343 2.349 1.00 6.41 H new ATOM 699 N ILE A 44 -0.728 2.702 5.203 1.00 4.58 N ATOM 700 CA ILE A 44 -0.066 3.233 6.363 1.00 5.55 C ATOM 701 C ILE A 44 1.153 2.351 6.703 1.00 5.46 C ATOM 702 O ILE A 44 1.128 1.111 6.743 1.00 6.04 O ATOM 703 CB ILE A 44 -1.005 3.214 7.594 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.239 4.125 7.405 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.211 3.636 8.832 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.142 4.337 8.637 1.00 13.90 C ATOM 0 H ILE A 44 -0.970 1.713 5.266 1.00 4.58 H new ATOM 0 HA ILE A 44 0.231 4.257 6.139 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.383 2.199 7.719 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.892 5.101 7.066 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.850 3.708 6.604 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.864 3.626 9.704 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.615 2.942 8.989 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.183 4.642 8.686 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.970 4.994 8.372 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.534 3.376 8.971 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.561 4.791 9.440 1.00 13.90 H new ATOM 718 N PHE A 45 2.330 2.987 6.951 1.00 6.75 N ATOM 719 CA PHE A 45 3.541 2.327 7.369 1.00 4.70 C ATOM 720 C PHE A 45 4.161 3.095 8.535 1.00 6.34 C ATOM 721 O PHE A 45 4.395 4.300 8.530 1.00 5.45 O ATOM 722 CB PHE A 45 4.461 2.088 6.100 1.00 5.51 C ATOM 723 CG PHE A 45 5.884 1.618 6.389 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.298 0.316 6.780 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.891 2.596 6.326 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.640 0.051 7.077 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.212 2.328 6.643 1.00 6.64 C ATOM 728 CZ PHE A 45 8.534 1.049 7.082 1.00 6.84 C ATOM 0 H PHE A 45 2.438 3.997 6.856 1.00 6.75 H new ATOM 0 HA PHE A 45 3.362 1.330 7.772 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.978 1.350 5.459 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.514 3.017 5.533 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.569 -0.478 6.849 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.624 3.596 6.018 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.955 -0.957 7.302 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.971 3.091 6.552 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.535 0.854 7.438 1.00 6.84 H new ATOM 738 N ALA A 46 4.375 2.344 9.614 1.00 6.53 N ATOM 739 CA ALA A 46 4.883 2.818 10.862 1.00 7.15 C ATOM 740 C ALA A 46 4.316 4.105 11.503 1.00 9.00 C ATOM 741 O ALA A 46 5.009 5.005 11.878 1.00 11.15 O ATOM 742 CB ALA A 46 6.362 2.766 10.885 1.00 8.99 C ATOM 0 H ALA A 46 4.184 1.342 9.623 1.00 6.53 H new ATOM 0 HA ALA A 46 4.452 2.093 11.552 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.724 3.132 11.846 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.692 1.737 10.741 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.760 3.390 10.085 1.00 8.99 H new ATOM 748 N GLY A 47 3.010 4.231 11.641 1.00 9.35 N ATOM 749 CA GLY A 47 2.334 5.414 12.232 1.00 11.68 C ATOM 750 C GLY A 47 1.961 6.450 11.203 1.00 11.14 C ATOM 751 O GLY A 47 1.459 7.518 11.542 1.00 13.93 O ATOM 0 H GLY A 47 2.357 3.506 11.344 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.435 5.089 12.755 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.990 5.867 12.976 1.00 11.68 H new ATOM 755 N LYS A 48 2.254 6.279 9.910 1.00 10.47 N ATOM 756 CA LYS A 48 2.333 7.385 8.963 1.00 8.82 C ATOM 757 C LYS A 48 1.620 6.949 7.751 1.00 7.68 C ATOM 758 O LYS A 48 1.834 5.920 7.102 1.00 6.47 O ATOM 759 CB LYS A 48 3.780 7.728 8.490 1.00 9.74 C ATOM 760 CG LYS A 48 3.899 8.813 7.432 1.00 14.14 C ATOM 761 CD LYS A 48 5.312 9.077 6.966 1.00 16.32 C ATOM 762 CE LYS A 48 6.272 9.517 8.086 1.00 20.04 C ATOM 763 NZ LYS A 48 7.546 10.015 7.496 1.00 23.92 N ATOM 0 H LYS A 48 2.443 5.367 9.494 1.00 10.47 H new ATOM 0 HA LYS A 48 1.924 8.262 9.464 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.362 8.032 9.360 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.238 6.819 8.102 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.292 8.533 6.571 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.481 9.738 7.829 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.704 8.173 6.500 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.291 9.849 6.196 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.809 10.300 8.687 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.473 8.680 8.754 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.189 10.310 8.258 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.992 9.256 6.941 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.348 10.826 6.876 1.00 23.92 H new ATOM 777 N GLN A 49 0.556 7.708 7.423 1.00 8.89 N ATOM 778 CA GLN A 49 -0.127 7.459 6.110 1.00 7.18 C ATOM 779 C GLN A 49 0.716 7.791 4.898 1.00 8.23 C ATOM 780 O GLN A 49 1.468 8.738 4.955 1.00 9.70 O ATOM 781 CB GLN A 49 -1.542 8.107 6.151 1.00 11.67 C ATOM 782 CG GLN A 49 -2.559 7.355 5.262 1.00 15.82 C ATOM 783 CD GLN A 49 -3.980 7.741 5.649 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.844 6.918 5.964 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.301 9.050 5.480 1.00 20.67 N ATOM 0 H GLN A 49 0.161 8.454 7.996 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.265 6.386 5.976 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.903 8.121 7.179 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.474 9.144 5.823 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.382 7.593 4.213 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.424 6.279 5.372 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.580 9.722 5.220 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.263 9.360 5.614 1.00 20.67 H new ATOM 794 N LEU A 50 0.642 6.998 3.793 1.00 6.51 N ATOM 795 CA LEU A 50 1.614 7.122 2.762 1.00 7.41 C ATOM 796 C LEU A 50 0.940 7.592 1.440 1.00 8.27 C ATOM 797 O LEU A 50 0.015 6.928 0.922 1.00 8.34 O ATOM 798 CB LEU A 50 2.172 5.707 2.384 1.00 7.13 C ATOM 799 CG LEU A 50 2.914 4.804 3.450 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.215 3.488 2.748 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.131 5.504 4.045 1.00 9.11 C ATOM 0 H LEU A 50 -0.077 6.293 3.629 1.00 6.51 H new ATOM 0 HA LEU A 50 2.375 7.811 3.128 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.332 5.125 2.005 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.862 5.849 1.553 1.00 7.13 H new ATOM 0 HG LEU A 50 2.295 4.610 4.326 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.730 2.818 3.436 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.282 3.027 2.423 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.849 3.675 1.881 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.609 4.847 4.772 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.838 5.742 3.251 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.817 6.424 4.539 1.00 9.11 H new ATOM 813 N GLU A 51 1.458 8.641 0.855 1.00 9.43 N ATOM 814 CA GLU A 51 0.705 9.333 -0.233 1.00 11.90 C ATOM 815 C GLU A 51 1.049 8.820 -1.619 1.00 11.49 C ATOM 816 O GLU A 51 2.177 8.492 -1.912 1.00 9.88 O ATOM 817 CB GLU A 51 1.003 10.821 -0.293 1.00 16.56 C ATOM 818 CG GLU A 51 0.911 11.647 1.065 1.00 26.06 C ATOM 819 CD GLU A 51 1.550 13.073 1.296 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.782 13.170 0.999 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.857 14.081 1.581 1.00 33.44 O ATOM 0 H GLU A 51 2.366 9.047 1.082 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.336 9.133 0.019 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.008 10.946 -0.695 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.315 11.273 -1.008 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.152 11.756 1.279 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.328 11.002 1.838 1.00 26.06 H new ATOM 828 N ASP A 52 0.041 8.676 -2.514 1.00 12.71 N ATOM 829 CA ASP A 52 0.101 7.865 -3.696 1.00 16.56 C ATOM 830 C ASP A 52 1.227 8.139 -4.746 1.00 15.83 C ATOM 831 O ASP A 52 1.751 7.259 -5.354 1.00 17.21 O ATOM 832 CB ASP A 52 -1.291 8.171 -4.427 1.00 21.05 C ATOM 833 CG ASP A 52 -2.458 7.779 -3.540 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.578 8.452 -2.460 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.265 6.860 -3.847 1.00 28.37 O ATOM 0 H ASP A 52 -0.856 9.149 -2.404 1.00 12.71 H new ATOM 0 HA ASP A 52 0.309 6.848 -3.364 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.354 9.231 -4.672 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.342 7.623 -5.368 1.00 21.05 H new ATOM 840 N GLY A 53 1.499 9.458 -4.917 1.00 15.00 N ATOM 841 CA GLY A 53 2.555 9.897 -5.769 1.00 11.77 C ATOM 842 C GLY A 53 3.966 9.747 -5.206 1.00 11.10 C ATOM 843 O GLY A 53 4.933 10.132 -5.874 1.00 11.25 O ATOM 0 H GLY A 53 0.983 10.211 -4.462 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.496 9.342 -6.705 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.390 10.947 -6.010 1.00 11.77 H new ATOM 847 N ARG A 54 4.146 9.232 -3.988 1.00 8.53 N ATOM 848 CA ARG A 54 5.401 8.989 -3.362 1.00 9.05 C ATOM 849 C ARG A 54 5.918 7.641 -3.803 1.00 8.96 C ATOM 850 O ARG A 54 5.288 6.819 -4.413 1.00 11.60 O ATOM 851 CB ARG A 54 5.219 9.056 -1.798 1.00 7.97 C ATOM 852 CG ARG A 54 4.704 10.393 -1.337 1.00 9.62 C ATOM 853 CD ARG A 54 5.766 11.519 -1.218 1.00 12.20 C ATOM 854 NE ARG A 54 5.117 12.805 -0.665 1.00 18.23 N ATOM 855 CZ ARG A 54 5.610 14.057 -0.690 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.697 14.371 -1.423 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.951 15.025 -0.052 1.00 23.38 N ATOM 0 H ARG A 54 3.359 8.966 -3.396 1.00 8.53 H new ATOM 0 HA ARG A 54 6.130 9.746 -3.652 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.528 8.275 -1.482 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.174 8.851 -1.315 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.929 10.722 -2.029 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.229 10.263 -0.365 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.574 11.199 -0.561 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.208 11.717 -2.194 1.00 12.20 H new ATOM 0 HE ARG A 54 4.203 12.692 -0.227 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.165 13.652 -1.975 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.052 15.327 -1.425 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.087 14.811 0.445 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.311 15.979 -0.061 1.00 23.38 H new ATOM 871 N THR A 55 7.215 7.296 -3.429 1.00 9.05 N ATOM 872 CA THR A 55 7.909 6.012 -3.675 1.00 9.03 C ATOM 873 C THR A 55 8.282 5.433 -2.377 1.00 8.15 C ATOM 874 O THR A 55 8.388 6.064 -1.335 1.00 5.91 O ATOM 875 CB THR A 55 9.114 6.059 -4.696 1.00 11.15 C ATOM 876 OG1 THR A 55 10.238 6.790 -4.268 1.00 11.95 O ATOM 877 CG2 THR A 55 8.687 6.695 -5.997 1.00 11.71 C ATOM 0 H THR A 55 7.809 7.955 -2.926 1.00 9.05 H new ATOM 0 HA THR A 55 7.204 5.364 -4.195 1.00 9.03 H new ATOM 0 HB THR A 55 9.398 5.012 -4.798 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.015 6.195 -4.217 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.532 6.717 -6.686 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.876 6.115 -6.437 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.345 7.713 -5.809 1.00 11.71 H new ATOM 885 N LEU A 56 8.494 4.080 -2.426 1.00 6.91 N ATOM 886 CA LEU A 56 9.039 3.195 -1.434 1.00 8.29 C ATOM 887 C LEU A 56 10.426 3.617 -0.992 1.00 8.05 C ATOM 888 O LEU A 56 10.657 3.673 0.201 1.00 10.17 O ATOM 889 CB LEU A 56 9.053 1.737 -2.011 1.00 6.60 C ATOM 890 CG LEU A 56 7.677 1.054 -2.162 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.753 -0.234 -2.970 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.934 0.771 -0.861 1.00 8.64 C ATOM 0 H LEU A 56 8.248 3.561 -3.269 1.00 6.91 H new ATOM 0 HA LEU A 56 8.408 3.236 -0.546 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.534 1.759 -2.989 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.674 1.118 -1.364 1.00 6.60 H new ATOM 0 HG LEU A 56 7.098 1.806 -2.698 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.759 -0.675 -3.047 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.131 -0.015 -3.969 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.424 -0.936 -2.474 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.981 0.291 -1.083 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.535 0.112 -0.235 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.754 1.708 -0.334 1.00 8.64 H new ATOM 904 N SER A 57 11.294 4.019 -1.930 1.00 8.92 N ATOM 905 CA SER A 57 12.632 4.631 -1.738 1.00 9.00 C ATOM 906 C SER A 57 12.596 5.970 -0.981 1.00 9.44 C ATOM 907 O SER A 57 13.341 6.222 -0.052 1.00 10.91 O ATOM 908 CB SER A 57 13.422 4.904 -3.007 1.00 10.32 C ATOM 909 OG SER A 57 12.776 5.743 -3.907 1.00 13.59 O ATOM 0 H SER A 57 11.070 3.921 -2.920 1.00 8.92 H new ATOM 0 HA SER A 57 13.128 3.851 -1.160 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.381 5.347 -2.737 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.636 3.956 -3.500 1.00 10.32 H new ATOM 0 HG SER A 57 13.342 5.875 -4.696 1.00 13.59 H new ATOM 915 N ASP A 58 11.650 6.829 -1.327 1.00 9.11 N ATOM 916 CA ASP A 58 11.360 8.083 -0.624 1.00 7.91 C ATOM 917 C ASP A 58 10.842 7.960 0.804 1.00 9.12 C ATOM 918 O ASP A 58 11.247 8.724 1.655 1.00 8.61 O ATOM 919 CB ASP A 58 10.407 8.946 -1.413 1.00 8.41 C ATOM 920 CG ASP A 58 10.351 10.402 -0.965 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.411 11.087 -1.023 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.323 10.953 -0.459 1.00 10.05 O ATOM 0 H ASP A 58 11.040 6.674 -2.129 1.00 9.11 H new ATOM 0 HA ASP A 58 12.344 8.545 -0.541 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.693 8.914 -2.464 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.407 8.519 -1.342 1.00 8.41 H new ATOM 927 N TYR A 59 9.931 7.007 1.136 1.00 7.97 N ATOM 928 CA TYR A 59 9.416 6.849 2.491 1.00 8.45 C ATOM 929 C TYR A 59 10.285 5.839 3.214 1.00 10.98 C ATOM 930 O TYR A 59 10.173 5.609 4.404 1.00 12.95 O ATOM 931 CB TYR A 59 7.990 6.277 2.417 1.00 7.94 C ATOM 932 CG TYR A 59 7.033 7.415 2.196 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.994 8.529 3.039 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.981 7.170 1.277 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.958 9.434 2.941 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.922 8.038 1.289 1.00 6.52 C ATOM 937 CZ TYR A 59 4.908 9.197 2.119 1.00 6.76 C ATOM 938 OH TYR A 59 3.663 9.899 2.221 1.00 7.63 O ATOM 0 H TYR A 59 9.546 6.340 0.467 1.00 7.97 H new ATOM 0 HA TYR A 59 9.417 7.809 3.008 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.913 5.554 1.605 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.745 5.749 3.339 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.776 8.681 3.768 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.014 6.333 0.595 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.984 10.341 3.526 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.073 7.839 0.652 1.00 6.52 H new ATOM 0 HH TYR A 59 3.746 10.776 1.792 1.00 7.63 H new ATOM 948 N ASN A 60 11.337 5.303 2.525 1.00 12.38 N ATOM 949 CA ASN A 60 12.386 4.472 3.124 1.00 13.94 C ATOM 950 C ASN A 60 11.989 3.028 3.526 1.00 14.16 C ATOM 951 O ASN A 60 12.262 2.540 4.617 1.00 14.26 O ATOM 952 CB ASN A 60 13.182 5.171 4.259 1.00 19.23 C ATOM 953 CG ASN A 60 13.639 6.580 3.743 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.126 7.622 4.056 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.758 6.613 3.001 1.00 24.09 N ATOM 0 H ASN A 60 11.466 5.448 1.524 1.00 12.38 H new ATOM 0 HA ASN A 60 13.056 4.347 2.274 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.562 5.275 5.149 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.047 4.571 4.542 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.154 7.508 2.715 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.211 5.743 2.723 1.00 24.09 H new ATOM 962 N ILE A 61 11.399 2.268 2.584 1.00 11.08 N ATOM 963 CA ILE A 61 10.691 1.049 2.883 1.00 11.78 C ATOM 964 C ILE A 61 11.537 -0.148 2.405 1.00 13.74 C ATOM 965 O ILE A 61 11.802 -0.322 1.201 1.00 14.60 O ATOM 966 CB ILE A 61 9.296 1.097 2.404 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.581 2.448 2.786 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.459 -0.204 2.771 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.061 2.471 2.632 1.00 11.42 C ATOM 0 H ILE A 61 11.411 2.501 1.591 1.00 11.08 H new ATOM 0 HA ILE A 61 10.570 0.919 3.958 1.00 11.78 H new ATOM 0 HB ILE A 61 9.344 1.088 1.315 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.824 2.684 3.822 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.000 3.244 2.171 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.443 -0.103 2.389 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.930 -1.078 2.322 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.430 -0.324 3.854 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.681 3.450 2.923 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.798 2.274 1.593 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.619 1.705 3.270 1.00 11.42 H new ATOM 981 N GLN A 62 11.969 -1.032 3.304 1.00 13.97 N ATOM 982 CA GLN A 62 12.932 -2.080 2.948 1.00 15.52 C ATOM 983 C GLN A 62 12.151 -3.321 2.427 1.00 13.94 C ATOM 984 O GLN A 62 10.943 -3.353 2.505 1.00 12.15 O ATOM 985 CB GLN A 62 13.884 -2.343 4.161 1.00 19.53 C ATOM 986 CG GLN A 62 14.589 -1.126 4.779 1.00 26.38 C ATOM 987 CD GLN A 62 15.393 -0.412 3.735 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.005 0.488 3.000 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.733 -0.627 3.796 1.00 32.71 N ATOM 0 H GLN A 62 11.671 -1.046 4.279 1.00 13.97 H new ATOM 0 HA GLN A 62 13.589 -1.780 2.132 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.305 -2.832 4.945 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.649 -3.050 3.842 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.851 -0.448 5.208 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.239 -1.447 5.593 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.104 -1.365 4.394 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.368 -0.050 3.244 1.00 32.71 H new ATOM 998 N LYS A 63 12.945 -4.341 2.068 1.00 11.73 N ATOM 999 CA LYS A 63 12.494 -5.678 1.772 1.00 11.97 C ATOM 1000 C LYS A 63 11.730 -6.235 2.954 1.00 10.41 C ATOM 1001 O LYS A 63 12.282 -6.208 4.076 1.00 9.59 O ATOM 1002 CB LYS A 63 13.679 -6.533 1.306 1.00 13.73 C ATOM 1003 CG LYS A 63 14.762 -7.079 2.285 1.00 16.98 C ATOM 1004 CD LYS A 63 15.656 -8.214 1.595 1.00 20.19 C ATOM 1005 CE LYS A 63 16.469 -7.851 0.361 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.267 -6.660 0.622 1.00 25.97 N ATOM 0 H LYS A 63 13.956 -4.236 1.977 1.00 11.73 H new ATOM 0 HA LYS A 63 11.788 -5.680 0.942 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.256 -7.399 0.797 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.207 -5.948 0.554 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.402 -6.261 2.615 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.279 -7.485 3.174 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.348 -8.593 2.347 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.995 -9.038 1.325 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.119 -8.682 0.087 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.804 -7.675 -0.484 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.869 -6.458 -0.201 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.637 -5.851 0.796 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.865 -6.819 1.458 1.00 25.97 H new ATOM 1020 N GLU A 64 10.575 -6.824 2.732 1.00 10.04 N ATOM 1021 CA GLU A 64 9.832 -7.656 3.641 1.00 10.94 C ATOM 1022 C GLU A 64 9.155 -6.857 4.739 1.00 9.74 C ATOM 1023 O GLU A 64 8.718 -7.314 5.803 1.00 9.42 O ATOM 1024 CB GLU A 64 10.488 -8.952 4.114 1.00 18.31 C ATOM 1025 CG GLU A 64 10.687 -9.865 2.892 1.00 24.16 C ATOM 1026 CD GLU A 64 11.303 -11.210 3.196 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.397 -11.654 4.369 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.548 -11.952 2.169 1.00 32.61 O ATOM 0 H GLU A 64 10.096 -6.722 1.837 1.00 10.04 H new ATOM 0 HA GLU A 64 9.043 -8.061 3.007 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.445 -8.741 4.591 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.863 -9.445 4.859 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.720 -10.024 2.415 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.318 -9.348 2.169 1.00 24.16 H new ATOM 1035 N SER A 65 8.958 -5.552 4.457 1.00 6.85 N ATOM 1036 CA SER A 65 8.125 -4.639 5.220 1.00 6.90 C ATOM 1037 C SER A 65 6.615 -4.940 5.232 1.00 4.72 C ATOM 1038 O SER A 65 6.032 -5.195 4.163 1.00 3.91 O ATOM 1039 CB SER A 65 8.403 -3.122 4.867 1.00 7.28 C ATOM 1040 OG SER A 65 9.716 -2.753 4.970 1.00 10.56 O ATOM 0 H SER A 65 9.399 -5.101 3.656 1.00 6.85 H new ATOM 0 HA SER A 65 8.445 -4.825 6.245 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.062 -2.929 3.850 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.807 -2.492 5.528 1.00 7.28 H new ATOM 0 HG SER A 65 10.178 -2.949 4.128 1.00 10.56 H new ATOM 1046 N THR A 66 6.032 -4.567 6.431 1.00 4.48 N ATOM 1047 CA THR A 66 4.612 -4.744 6.565 1.00 3.80 C ATOM 1048 C THR A 66 3.780 -3.425 6.455 1.00 4.60 C ATOM 1049 O THR A 66 3.878 -2.568 7.284 1.00 5.33 O ATOM 1050 CB THR A 66 4.077 -5.468 7.791 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.709 -6.774 7.876 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.573 -5.772 7.528 1.00 3.40 C ATOM 0 H THR A 66 6.517 -4.174 7.238 1.00 4.48 H new ATOM 0 HA THR A 66 4.473 -5.400 5.706 1.00 3.80 H new ATOM 0 HB THR A 66 4.252 -4.867 8.683 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.373 -7.249 8.664 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.151 -6.293 8.388 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.035 -4.837 7.370 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.478 -6.399 6.642 1.00 3.40 H new ATOM 1060 N LEU A 67 2.918 -3.263 5.460 1.00 4.17 N ATOM 1061 CA LEU A 67 2.103 -2.085 5.310 1.00 3.85 C ATOM 1062 C LEU A 67 0.730 -2.389 5.853 1.00 3.80 C ATOM 1063 O LEU A 67 0.409 -3.592 5.921 1.00 5.54 O ATOM 1064 CB LEU A 67 1.938 -1.784 3.820 1.00 7.18 C ATOM 1065 CG LEU A 67 3.245 -1.676 2.971 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.916 -1.171 1.580 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.267 -0.641 3.542 1.00 11.66 C ATOM 0 H LEU A 67 2.770 -3.960 4.730 1.00 4.17 H new ATOM 0 HA LEU A 67 2.565 -1.246 5.830 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.314 -2.564 3.384 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.392 -0.846 3.722 1.00 7.18 H new ATOM 0 HG LEU A 67 3.677 -2.677 2.980 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.832 -1.098 0.993 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.228 -1.864 1.095 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.451 -0.188 1.650 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.152 -0.615 2.906 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.808 0.348 3.567 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.554 -0.933 4.552 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.036 -1.415 6.249 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.356 -1.635 6.733 1.00 4.17 C ATOM 1081 C HIS A 68 -2.370 -1.054 5.766 1.00 5.32 C ATOM 1082 O HIS A 68 -2.172 0.042 5.260 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.583 -1.073 8.137 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.460 -1.605 9.083 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.749 -0.942 9.184 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.385 -2.762 9.749 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.452 -1.717 10.044 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.848 -2.887 10.401 1.00 16.30 N ATOM 0 H HIS A 68 0.247 -0.435 6.243 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.488 -2.715 6.804 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.571 0.017 8.113 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.563 -1.373 8.509 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.040 -0.080 8.723 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.171 -3.502 9.780 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.422 -1.429 10.421 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.448 -1.816 5.470 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.555 -1.387 4.647 1.00 3.97 C ATOM 1098 C LEU A 69 -5.585 -0.573 5.433 1.00 5.07 C ATOM 1099 O LEU A 69 -6.122 -0.892 6.518 1.00 4.34 O ATOM 1100 CB LEU A 69 -5.293 -2.592 4.016 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.240 -2.330 2.795 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.432 -1.883 1.570 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -7.146 -3.543 2.477 1.00 9.96 C ATOM 0 H LEU A 69 -3.555 -2.769 5.816 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.114 -0.762 3.870 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.540 -3.315 3.703 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.885 -3.066 4.799 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.912 -1.517 3.072 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.108 -1.706 0.733 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.896 -0.963 1.804 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.718 -2.661 1.301 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.782 -3.308 1.623 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -6.526 -4.408 2.241 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.769 -3.768 3.342 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.915 0.588 4.801 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.027 1.453 5.308 1.00 6.26 C ATOM 1117 C VAL A 70 -7.865 1.803 4.092 1.00 9.22 C ATOM 1118 O VAL A 70 -7.309 1.995 3.021 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.502 2.668 6.019 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.708 3.613 6.352 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.836 2.130 7.322 1.00 8.54 C ATOM 0 H VAL A 70 -5.447 0.941 3.967 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.631 0.937 6.054 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.787 3.238 5.425 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.343 4.500 6.869 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.204 3.910 5.428 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.417 3.087 6.991 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.429 2.964 7.894 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.581 1.608 7.922 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.032 1.442 7.062 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.173 1.879 4.298 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.104 2.123 3.235 1.00 16.06 C ATOM 1133 C LEU A 71 -10.933 3.368 3.560 1.00 18.09 C ATOM 1134 O LEU A 71 -11.397 3.602 4.671 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.956 0.924 2.996 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.183 -0.347 2.606 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.194 -1.484 2.408 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.399 -0.141 1.288 1.00 19.57 C ATOM 0 H LEU A 71 -9.607 1.771 5.215 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.562 2.312 2.308 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.533 0.719 3.898 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.671 1.155 2.206 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.471 -0.585 3.397 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.666 -2.396 2.130 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.742 -1.650 3.336 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.894 -1.215 1.617 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.862 -1.056 1.037 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.095 0.103 0.485 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.687 0.675 1.412 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.288 4.103 2.455 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.235 5.210 2.368 1.00 25.83 C ATOM 1152 C ARG A 72 -13.640 4.818 2.161 1.00 27.74 C ATOM 1153 O ARG A 72 -14.011 3.821 1.559 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.689 6.179 1.258 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.521 7.423 0.997 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.860 8.295 -0.059 1.00 34.05 C ATOM 1157 NE ARG A 72 -12.809 9.399 -0.401 1.00 35.08 N ATOM 1158 CZ ARG A 72 -12.475 10.619 -0.885 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.217 10.987 -1.025 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -13.449 11.576 -0.967 1.00 35.02 N ATOM 0 H ARG A 72 -10.873 3.901 1.545 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.287 5.711 3.335 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.683 6.490 1.538 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.603 5.621 0.326 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.520 7.137 0.667 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.640 7.988 1.921 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.920 8.701 0.315 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.623 7.707 -0.946 1.00 34.05 H new ATOM 0 HE ARG A 72 -13.802 9.216 -0.256 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.466 10.347 -0.766 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.994 11.912 -1.392 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -14.400 11.362 -0.667 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -13.224 12.503 -1.328 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.646 5.569 2.653 1.00 28.93 N ATOM 1175 CA LEU A 73 -16.110 5.365 2.501 1.00 30.76 C ATOM 1176 C LEU A 73 -16.591 5.497 1.069 1.00 32.18 C ATOM 1177 O LEU A 73 -16.181 6.366 0.296 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.930 6.239 3.491 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.760 5.992 4.954 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.740 6.964 5.681 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.122 4.557 5.359 1.00 29.11 C ATOM 0 H LEU A 73 -14.446 6.399 3.211 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.296 4.326 2.772 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.682 7.283 3.298 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.986 6.112 3.252 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.715 6.149 5.221 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.657 6.825 6.759 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.487 7.993 5.427 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.762 6.753 5.366 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.979 4.435 6.433 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.164 4.360 5.107 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.480 3.856 4.826 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.569 4.617 0.681 1.00 33.82 N ATOM 1194 CA ARG A 74 -18.397 4.618 -0.530 1.00 35.33 C ATOM 1195 C ARG A 74 -19.361 5.799 -0.710 1.00 36.22 C ATOM 1196 O ARG A 74 -19.609 6.313 -1.808 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.208 3.303 -0.588 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.283 2.094 -1.004 1.00 38.62 C ATOM 1199 CD ARG A 74 -19.163 0.952 -1.469 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.283 -0.314 -1.587 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.400 -1.447 -0.932 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -19.167 -1.605 0.150 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.930 -2.562 -1.503 1.00 41.93 N ATOM 0 H ARG A 74 -17.804 3.823 1.277 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.681 4.718 -1.346 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.658 3.105 0.385 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -20.025 3.405 -1.303 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.602 2.395 -1.800 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.669 1.779 -0.160 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.976 0.786 -0.763 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -19.619 1.190 -2.430 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.516 -0.263 -2.257 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -19.705 -0.818 0.513 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -19.214 -2.512 0.613 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.494 -2.519 -2.424 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -18.007 -3.455 -1.017 1.00 41.93 H new ATOM 1217 N GLY A 75 -19.972 6.320 0.398 1.00 36.31 N ATOM 1218 CA GLY A 75 -20.976 7.349 0.377 1.00 36.07 C ATOM 1219 C GLY A 75 -20.442 8.753 0.289 1.00 36.16 C ATOM 1220 O GLY A 75 -21.130 9.584 -0.264 1.00 36.26 O ATOM 0 H GLY A 75 -19.749 6.004 1.342 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -21.638 7.174 -0.471 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -21.583 7.262 1.278 1.00 36.07 H new ATOM 1224 N GLY A 76 -19.258 9.096 0.859 1.00 36.05 N ATOM 1225 CA GLY A 76 -18.734 10.460 0.674 1.00 36.19 C ATOM 1226 C GLY A 76 -17.455 10.762 1.543 1.00 36.20 C ATOM 1227 O GLY A 76 -16.962 11.923 1.492 1.00 0.00 O ATOM 1228 OXT GLY A 76 -16.977 9.885 2.272 1.00 0.00 O ATOM 0 H GLY A 76 -18.677 8.476 1.423 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -18.493 10.609 -0.378 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -19.514 11.178 0.927 1.00 36.19 H new TER 1232 GLY A 76