USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot -39:sc= 1.01 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.83 K(o=2.8,f=-7.2!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -142:sc= 0.356 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 177:sc= 0.365 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 1.04 (180deg=0.934) USER MOD Single : A 2 GLN : amide:sc= -0.483 X(o=-0.48,f=0) USER MOD Single : A 7 THR OG1 : rot -158:sc= -0.588 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0111) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -113:sc= 0.522 (180deg=-0.481!) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 0.78 (180deg=0.724) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.364 K(o=-0.36,f=-1.6) USER MOD Single : A 41 GLN : amide:sc= 1.07 K(o=1.1,f=-4.8!) 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=-0.38) USER MOD Single : A 55 THR OG1 : rot -81:sc= 0.892 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 110:sc= 0.748 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -120:sc= 0.00376 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.030 -8.590 -5.227 1.00 9.67 N ATOM 2 CA MET A 1 11.117 -8.398 -3.705 1.00 10.38 C ATOM 3 C MET A 1 9.719 -8.501 -3.121 1.00 9.62 C ATOM 4 O MET A 1 8.751 -8.067 -3.769 1.00 9.62 O ATOM 5 CB MET A 1 11.888 -7.064 -3.382 1.00 13.77 C ATOM 6 CG MET A 1 12.274 -6.969 -1.860 1.00 16.29 C ATOM 7 SD MET A 1 13.162 -5.405 -1.621 1.00 17.17 S ATOM 8 CE MET A 1 11.658 -4.271 -1.380 1.00 16.11 C ATOM 0 H1 MET A 1 11.985 -8.725 -5.615 1.00 9.67 H new ATOM 0 H2 MET A 1 10.449 -9.426 -5.439 1.00 9.67 H new ATOM 0 H3 MET A 1 10.597 -7.749 -5.659 1.00 9.67 H new ATOM 0 HA MET A 1 11.701 -9.183 -3.225 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.791 -7.009 -3.990 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.268 -6.210 -3.654 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.382 -7.003 -1.235 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.899 -7.813 -1.569 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.996 -3.248 -1.216 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.029 -4.307 -2.269 1.00 16.11 H new ATOM 0 HE3 MET A 1 11.084 -4.606 -0.516 1.00 16.11 H new ATOM 20 N GLN A 2 9.534 -9.081 -1.943 1.00 9.27 N ATOM 21 CA GLN A 2 8.249 -9.266 -1.413 1.00 9.07 C ATOM 22 C GLN A 2 7.914 -8.297 -0.290 1.00 8.72 C ATOM 23 O GLN A 2 8.646 -8.115 0.693 1.00 8.22 O ATOM 24 CB GLN A 2 8.131 -10.718 -0.909 1.00 14.46 C ATOM 25 CG GLN A 2 6.791 -11.039 -0.201 1.00 17.01 C ATOM 26 CD GLN A 2 6.781 -12.494 0.168 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.080 -13.234 -0.527 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.515 -12.878 1.220 1.00 19.49 N ATOM 0 H GLN A 2 10.290 -9.426 -1.351 1.00 9.27 H new ATOM 0 HA GLN A 2 7.532 -9.066 -2.209 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.253 -11.395 -1.754 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.951 -10.919 -0.219 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.677 -10.422 0.690 1.00 17.01 H new ATOM 0 HG3 GLN A 2 5.952 -10.809 -0.858 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.065 -12.191 1.736 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.524 -13.857 1.505 1.00 19.49 H new ATOM 37 N ILE A 3 6.813 -7.576 -0.367 1.00 5.87 N ATOM 38 CA ILE A 3 6.220 -6.814 0.724 1.00 5.07 C ATOM 39 C ILE A 3 4.915 -7.452 1.189 1.00 4.01 C ATOM 40 O ILE A 3 4.274 -8.074 0.335 1.00 4.61 O ATOM 41 CB ILE A 3 5.981 -5.326 0.525 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.084 -4.943 -0.643 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.380 -4.703 0.419 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.901 -3.435 -0.866 1.00 10.83 C ATOM 0 H ILE A 3 6.279 -7.499 -1.232 1.00 5.87 H new ATOM 0 HA ILE A 3 7.010 -6.863 1.474 1.00 5.07 H new ATOM 0 HB ILE A 3 5.408 -4.942 1.369 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.495 -5.380 -1.553 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.103 -5.392 -0.488 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.289 -3.627 0.274 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.936 -4.900 1.335 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.910 -5.140 -0.428 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.245 -3.271 -1.721 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.457 -2.987 0.023 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.870 -2.975 -1.059 1.00 10.83 H new ATOM 56 N PHE A 4 4.616 -7.345 2.487 1.00 4.55 N ATOM 57 CA PHE A 4 3.303 -7.755 3.000 1.00 4.68 C ATOM 58 C PHE A 4 2.526 -6.540 3.230 1.00 5.30 C ATOM 59 O PHE A 4 3.096 -5.464 3.506 1.00 5.58 O ATOM 60 CB PHE A 4 3.347 -8.526 4.349 1.00 4.83 C ATOM 61 CG PHE A 4 4.092 -9.798 4.217 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.493 -9.760 4.340 1.00 8.34 C ATOM 63 CD2 PHE A 4 3.426 -10.998 4.010 1.00 6.69 C ATOM 64 CE1 PHE A 4 6.194 -10.918 4.153 1.00 10.61 C ATOM 65 CE2 PHE A 4 4.096 -12.214 3.860 1.00 9.10 C ATOM 66 CZ PHE A 4 5.490 -12.177 3.904 1.00 8.90 C ATOM 0 H PHE A 4 5.255 -6.983 3.195 1.00 4.55 H new ATOM 0 HA PHE A 4 2.875 -8.430 2.259 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.817 -7.904 5.111 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.331 -8.730 4.687 1.00 4.83 H new ATOM 0 HD1 PHE A 4 6.002 -8.838 4.577 1.00 8.34 H new ATOM 0 HD2 PHE A 4 2.347 -10.991 3.963 1.00 6.69 H new ATOM 0 HE1 PHE A 4 7.273 -10.904 4.189 1.00 10.61 H new ATOM 0 HE2 PHE A 4 3.560 -13.140 3.717 1.00 9.10 H new ATOM 0 HZ PHE A 4 6.055 -13.085 3.753 1.00 8.90 H new ATOM 76 N VAL A 5 1.266 -6.581 2.894 1.00 4.44 N ATOM 77 CA VAL A 5 0.341 -5.499 3.229 1.00 3.87 C ATOM 78 C VAL A 5 -0.804 -6.094 4.025 1.00 4.93 C ATOM 79 O VAL A 5 -1.404 -7.129 3.655 1.00 6.84 O ATOM 80 CB VAL A 5 -0.220 -4.866 1.933 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.269 -3.783 2.337 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.921 -4.244 1.101 1.00 9.13 C ATOM 0 H VAL A 5 0.840 -7.354 2.383 1.00 4.44 H new ATOM 0 HA VAL A 5 0.857 -4.730 3.805 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.696 -5.628 1.316 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.680 -3.321 1.439 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.073 -4.250 2.905 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.787 -3.020 2.949 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.510 -3.803 0.193 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.419 -3.471 1.687 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.641 -5.018 0.835 1.00 9.13 H new ATOM 92 N LYS A 6 -1.129 -5.487 5.194 1.00 6.04 N ATOM 93 CA LYS A 6 -1.918 -6.139 6.212 1.00 6.12 C ATOM 94 C LYS A 6 -3.173 -5.319 6.650 1.00 6.57 C ATOM 95 O LYS A 6 -3.257 -4.066 6.740 1.00 5.76 O ATOM 96 CB LYS A 6 -0.951 -6.518 7.391 1.00 7.45 C ATOM 97 CG LYS A 6 -1.500 -7.470 8.476 1.00 11.12 C ATOM 98 CD LYS A 6 -0.444 -7.860 9.448 1.00 14.54 C ATOM 99 CE LYS A 6 -0.786 -9.012 10.442 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.972 -10.348 9.769 1.00 20.55 N ATOM 0 H LYS A 6 -0.843 -4.538 5.435 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.362 -7.049 5.809 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.058 -6.973 6.962 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.636 -5.596 7.879 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.321 -6.985 9.005 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.909 -8.363 8.004 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.443 -8.150 8.886 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.178 -6.978 10.031 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.012 -9.093 11.180 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.697 -8.756 10.983 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.747 -10.865 10.232 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.204 -10.202 8.766 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.094 -10.900 9.844 1.00 20.55 H new ATOM 114 N THR A 7 -4.287 -6.059 6.775 1.00 7.41 N ATOM 115 CA THR A 7 -5.606 -5.513 7.223 1.00 7.48 C ATOM 116 C THR A 7 -6.029 -6.121 8.513 1.00 8.75 C ATOM 117 O THR A 7 -5.880 -7.295 8.816 1.00 8.58 O ATOM 118 CB THR A 7 -6.729 -5.841 6.195 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.777 -7.205 5.887 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.671 -4.911 4.959 1.00 9.17 C ATOM 0 H THR A 7 -4.312 -7.058 6.571 1.00 7.41 H new ATOM 0 HA THR A 7 -5.470 -4.436 7.324 1.00 7.48 H new ATOM 0 HB THR A 7 -7.686 -5.625 6.669 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.221 -7.330 5.022 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.472 -5.174 4.268 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.792 -3.875 5.277 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.709 -5.028 4.461 1.00 9.17 H new ATOM 128 N LEU A 8 -6.471 -5.263 9.420 1.00 9.84 N ATOM 129 CA LEU A 8 -6.646 -5.433 10.891 1.00 14.15 C ATOM 130 C LEU A 8 -7.462 -6.731 11.243 1.00 17.37 C ATOM 131 O LEU A 8 -7.120 -7.536 12.153 1.00 17.01 O ATOM 132 CB LEU A 8 -7.404 -4.267 11.424 1.00 16.63 C ATOM 133 CG LEU A 8 -7.641 -4.231 12.927 1.00 18.88 C ATOM 134 CD1 LEU A 8 -6.328 -4.123 13.703 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.578 -3.034 13.358 1.00 18.59 C ATOM 0 H LEU A 8 -6.751 -4.325 9.134 1.00 9.84 H new ATOM 0 HA LEU A 8 -5.653 -5.511 11.333 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -6.872 -3.358 11.142 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.373 -4.236 10.926 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.134 -5.172 13.169 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -6.538 -4.100 14.772 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -5.699 -4.984 13.475 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -5.810 -3.208 13.415 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.717 -3.052 14.439 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.119 -2.089 13.066 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -9.546 -3.134 12.866 1.00 18.59 H new ATOM 147 N THR A 9 -8.492 -7.080 10.494 1.00 18.33 N ATOM 148 CA THR A 9 -9.410 -8.195 10.728 1.00 19.24 C ATOM 149 C THR A 9 -8.913 -9.476 10.140 1.00 19.48 C ATOM 150 O THR A 9 -9.716 -10.308 9.771 1.00 23.14 O ATOM 151 CB THR A 9 -10.858 -8.009 10.265 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.054 -7.722 8.923 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.502 -6.963 11.158 1.00 19.70 C ATOM 0 H THR A 9 -8.731 -6.562 9.649 1.00 18.33 H new ATOM 0 HA THR A 9 -9.428 -8.229 11.817 1.00 19.24 H new ATOM 0 HB THR A 9 -11.336 -8.984 10.363 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.013 -7.627 8.745 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.536 -6.809 10.851 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.478 -7.303 12.193 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.955 -6.024 11.072 1.00 19.70 H new ATOM 161 N GLY A 10 -7.588 -9.780 10.186 1.00 19.43 N ATOM 162 CA GLY A 10 -7.026 -11.134 9.909 1.00 18.74 C ATOM 163 C GLY A 10 -6.758 -11.435 8.410 1.00 17.62 C ATOM 164 O GLY A 10 -6.657 -12.619 8.036 1.00 19.74 O ATOM 0 H GLY A 10 -6.874 -9.089 10.418 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.092 -11.243 10.459 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.715 -11.884 10.298 1.00 18.74 H new ATOM 168 N LYS A 11 -6.413 -10.480 7.569 1.00 13.56 N ATOM 169 CA LYS A 11 -6.061 -10.801 6.212 1.00 11.91 C ATOM 170 C LYS A 11 -4.635 -10.188 6.011 1.00 10.18 C ATOM 171 O LYS A 11 -4.242 -9.272 6.708 1.00 9.10 O ATOM 172 CB LYS A 11 -7.199 -10.374 5.247 1.00 13.43 C ATOM 173 CG LYS A 11 -6.910 -10.380 3.720 1.00 16.69 C ATOM 174 CD LYS A 11 -8.235 -10.447 2.908 1.00 17.92 C ATOM 175 CE LYS A 11 -7.990 -10.513 1.443 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.504 -11.874 1.043 1.00 21.93 N ATOM 0 H LYS A 11 -6.371 -9.488 7.803 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.981 -11.863 5.981 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.051 -11.030 5.427 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.508 -9.366 5.523 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.356 -9.482 3.447 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.280 -11.233 3.468 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.807 -11.321 3.219 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.843 -9.571 3.134 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.909 -10.278 0.906 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.253 -9.761 1.159 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.405 -11.917 0.009 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.582 -12.058 1.487 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.188 -12.592 1.355 1.00 21.93 H new ATOM 190 N THR A 12 -3.795 -10.821 5.178 1.00 9.63 N ATOM 191 CA THR A 12 -2.425 -10.423 4.861 1.00 9.85 C ATOM 192 C THR A 12 -2.289 -10.817 3.389 1.00 11.66 C ATOM 193 O THR A 12 -2.457 -11.985 3.076 1.00 12.33 O ATOM 194 CB THR A 12 -1.415 -11.277 5.621 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.701 -11.149 7.007 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.016 -10.780 5.361 1.00 9.63 C ATOM 0 H THR A 12 -4.073 -11.669 4.684 1.00 9.63 H new ATOM 0 HA THR A 12 -2.246 -9.374 5.099 1.00 9.85 H new ATOM 0 HB THR A 12 -1.484 -12.316 5.298 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.098 -11.727 7.520 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.697 -11.397 5.908 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.198 -10.838 4.294 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.070 -9.745 5.693 1.00 9.63 H new ATOM 204 N ILE A 13 -1.900 -9.859 2.496 1.00 10.42 N ATOM 205 CA ILE A 13 -1.624 -10.181 1.103 1.00 11.84 C ATOM 206 C ILE A 13 -0.167 -9.897 0.884 1.00 10.55 C ATOM 207 O ILE A 13 0.540 -9.033 1.459 1.00 11.92 O ATOM 208 CB ILE A 13 -2.472 -9.534 0.022 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.268 -7.949 0.008 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.928 -10.022 0.245 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.274 -7.143 -0.859 1.00 16.46 C ATOM 0 H ILE A 13 -1.778 -8.875 2.734 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.903 -11.227 0.979 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.173 -9.832 -0.983 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.329 -7.585 1.034 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.260 -7.735 -0.347 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.579 -9.582 -0.511 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.964 -11.109 0.167 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.266 -9.718 1.236 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.041 -6.080 -0.794 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.201 -7.467 -1.897 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.287 -7.315 -0.495 1.00 16.46 H new ATOM 223 N THR A 14 0.461 -10.611 -0.004 1.00 9.39 N ATOM 224 CA THR A 14 1.831 -10.548 -0.395 1.00 9.63 C ATOM 225 C THR A 14 1.912 -9.932 -1.763 1.00 11.20 C ATOM 226 O THR A 14 1.032 -10.133 -2.582 1.00 11.63 O ATOM 227 CB THR A 14 2.587 -11.899 -0.478 1.00 10.38 C ATOM 228 OG1 THR A 14 1.867 -12.897 -1.181 1.00 16.30 O ATOM 229 CG2 THR A 14 2.881 -12.456 0.925 1.00 11.66 C ATOM 0 H THR A 14 -0.035 -11.332 -0.528 1.00 9.39 H new ATOM 0 HA THR A 14 2.311 -9.969 0.394 1.00 9.63 H new ATOM 0 HB THR A 14 3.508 -11.676 -1.016 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.392 -13.724 -1.203 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.412 -13.404 0.836 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.497 -11.746 1.477 1.00 11.66 H new ATOM 0 HG23 THR A 14 1.943 -12.614 1.458 1.00 11.66 H new ATOM 237 N LEU A 15 2.881 -9.030 -2.016 1.00 8.29 N ATOM 238 CA LEU A 15 2.842 -8.368 -3.330 1.00 9.03 C ATOM 239 C LEU A 15 4.246 -8.453 -3.843 1.00 8.59 C ATOM 240 O LEU A 15 5.239 -8.239 -3.083 1.00 7.79 O ATOM 241 CB LEU A 15 2.509 -6.810 -3.182 1.00 11.08 C ATOM 242 CG LEU A 15 1.155 -6.529 -2.486 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.140 -5.109 -2.091 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.141 -6.946 -3.252 1.00 15.27 C ATOM 0 H LEU A 15 3.638 -8.761 -1.388 1.00 8.29 H new ATOM 0 HA LEU A 15 2.091 -8.832 -3.969 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.306 -6.329 -2.615 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.501 -6.353 -4.172 1.00 11.08 H new ATOM 0 HG LEU A 15 1.110 -7.191 -1.622 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.196 -4.879 -1.597 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.965 -4.913 -1.407 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.247 -4.484 -2.977 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -1.015 -6.693 -2.653 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.188 -6.416 -4.204 1.00 15.27 H new ATOM 0 HD23 LEU A 15 -0.126 -8.020 -3.435 1.00 15.27 H new ATOM 256 N GLU A 16 4.420 -8.641 -5.180 1.00 11.04 N ATOM 257 CA GLU A 16 5.718 -8.553 -5.872 1.00 11.50 C ATOM 258 C GLU A 16 6.050 -7.110 -6.237 1.00 10.13 C ATOM 259 O GLU A 16 5.337 -6.463 -6.990 1.00 9.83 O ATOM 260 CB GLU A 16 5.831 -9.410 -7.202 1.00 17.22 C ATOM 261 CG GLU A 16 5.788 -10.893 -6.977 1.00 23.33 C ATOM 262 CD GLU A 16 5.800 -11.723 -8.271 1.00 26.99 C ATOM 263 OE1 GLU A 16 6.802 -11.661 -8.989 1.00 28.90 O ATOM 264 OE2 GLU A 16 4.806 -12.430 -8.514 1.00 28.86 O ATOM 0 H GLU A 16 3.647 -8.860 -5.808 1.00 11.04 H new ATOM 0 HA GLU A 16 6.422 -8.965 -5.149 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.018 -9.131 -7.872 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.763 -9.156 -7.708 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.642 -11.182 -6.364 1.00 23.33 H new ATOM 0 HG3 GLU A 16 4.891 -11.138 -6.409 1.00 23.33 H new ATOM 271 N VAL A 17 7.185 -6.562 -5.701 1.00 8.99 N ATOM 272 CA VAL A 17 7.609 -5.213 -5.947 1.00 8.85 C ATOM 273 C VAL A 17 9.098 -5.171 -6.251 1.00 8.04 C ATOM 274 O VAL A 17 9.803 -6.143 -6.060 1.00 8.99 O ATOM 275 CB VAL A 17 7.386 -4.292 -4.775 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.885 -3.976 -4.686 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.897 -4.908 -3.433 1.00 10.54 C ATOM 0 H VAL A 17 7.812 -7.079 -5.085 1.00 8.99 H new ATOM 0 HA VAL A 17 7.006 -4.874 -6.790 1.00 8.85 H new ATOM 0 HB VAL A 17 7.959 -3.379 -4.934 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.703 -3.310 -3.843 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.560 -3.493 -5.607 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.326 -4.901 -4.545 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.714 -4.207 -2.618 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.368 -5.840 -3.236 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.966 -5.107 -3.508 1.00 10.54 H new ATOM 287 N GLU A 18 9.576 -4.044 -6.799 1.00 7.29 N ATOM 288 CA GLU A 18 10.975 -3.722 -6.655 1.00 7.08 C ATOM 289 C GLU A 18 11.087 -2.381 -5.924 1.00 6.45 C ATOM 290 O GLU A 18 10.138 -1.664 -5.928 1.00 5.28 O ATOM 291 CB GLU A 18 11.619 -3.495 -8.100 1.00 10.28 C ATOM 292 CG GLU A 18 11.743 -4.825 -8.814 1.00 12.65 C ATOM 293 CD GLU A 18 12.817 -5.779 -8.307 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.791 -5.305 -7.744 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.690 -6.999 -8.540 1.00 14.33 O ATOM 0 H GLU A 18 9.023 -3.369 -7.327 1.00 7.29 H new ATOM 0 HA GLU A 18 11.476 -4.529 -6.120 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.999 -2.814 -8.683 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.600 -3.030 -8.003 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.781 -5.334 -8.754 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.934 -4.628 -9.869 1.00 12.65 H new ATOM 302 N PRO A 19 12.253 -1.982 -5.285 1.00 7.24 N ATOM 303 CA PRO A 19 12.274 -0.730 -4.461 1.00 7.07 C ATOM 304 C PRO A 19 11.890 0.484 -5.128 1.00 6.65 C ATOM 305 O PRO A 19 11.516 1.405 -4.404 1.00 6.37 O ATOM 306 CB PRO A 19 13.701 -0.675 -3.910 1.00 7.61 C ATOM 307 CG PRO A 19 14.202 -2.093 -3.935 1.00 8.16 C ATOM 308 CD PRO A 19 13.510 -2.735 -5.174 1.00 7.49 C ATOM 0 HA PRO A 19 11.506 -0.783 -3.690 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.331 -0.026 -4.519 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.714 -0.273 -2.897 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.288 -2.128 -4.025 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.941 -2.621 -3.018 1.00 8.16 H new ATOM 0 HD2 PRO A 19 14.120 -2.635 -6.072 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.330 -3.800 -5.028 1.00 7.49 H new ATOM 316 N SER A 20 11.966 0.594 -6.424 1.00 6.80 N ATOM 317 CA SER A 20 11.600 1.819 -7.148 1.00 6.28 C ATOM 318 C SER A 20 10.188 1.904 -7.652 1.00 8.45 C ATOM 319 O SER A 20 9.841 2.887 -8.281 1.00 7.26 O ATOM 320 CB SER A 20 12.604 2.097 -8.320 1.00 8.57 C ATOM 321 OG SER A 20 13.940 2.234 -7.830 1.00 11.13 O ATOM 0 H SER A 20 12.285 -0.161 -7.031 1.00 6.80 H new ATOM 0 HA SER A 20 11.666 2.595 -6.385 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.560 1.282 -9.042 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.311 3.005 -8.846 1.00 8.57 H new ATOM 0 HG SER A 20 14.547 2.405 -8.580 1.00 11.13 H new ATOM 327 N ASP A 21 9.321 0.945 -7.332 1.00 7.50 N ATOM 328 CA ASP A 21 7.846 1.033 -7.563 1.00 7.70 C ATOM 329 C ASP A 21 7.243 2.165 -6.711 1.00 7.08 C ATOM 330 O ASP A 21 7.558 2.388 -5.524 1.00 8.11 O ATOM 331 CB ASP A 21 7.145 -0.277 -7.168 1.00 11.00 C ATOM 332 CG ASP A 21 7.299 -1.368 -8.236 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.266 -0.993 -9.469 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.468 -2.548 -7.854 1.00 18.03 O ATOM 0 H ASP A 21 9.608 0.067 -6.899 1.00 7.50 H new ATOM 0 HA ASP A 21 7.693 1.226 -8.625 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.556 -0.636 -6.224 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.086 -0.083 -7.001 1.00 11.00 H new ATOM 339 N THR A 22 6.192 2.849 -7.214 1.00 5.37 N ATOM 340 CA THR A 22 5.441 3.750 -6.391 1.00 6.01 C ATOM 341 C THR A 22 4.348 3.177 -5.567 1.00 8.01 C ATOM 342 O THR A 22 3.890 2.030 -5.782 1.00 8.11 O ATOM 343 CB THR A 22 4.956 4.990 -7.111 1.00 8.92 C ATOM 344 OG1 THR A 22 4.005 4.743 -8.192 1.00 10.22 O ATOM 345 CG2 THR A 22 5.998 5.868 -7.760 1.00 9.65 C ATOM 0 H THR A 22 5.867 2.778 -8.178 1.00 5.37 H new ATOM 0 HA THR A 22 6.212 4.033 -5.675 1.00 6.01 H new ATOM 0 HB THR A 22 4.511 5.493 -6.252 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.266 3.933 -8.679 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.511 6.718 -8.238 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.694 6.228 -7.002 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.543 5.293 -8.509 1.00 9.65 H new ATOM 353 N ILE A 23 3.847 3.918 -4.551 1.00 8.32 N ATOM 354 CA ILE A 23 2.605 3.629 -3.816 1.00 9.92 C ATOM 355 C ILE A 23 1.427 3.505 -4.749 1.00 10.01 C ATOM 356 O ILE A 23 0.656 2.558 -4.554 1.00 8.71 O ATOM 357 CB ILE A 23 2.448 4.526 -2.669 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.682 4.504 -1.709 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.122 4.380 -1.863 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.838 3.267 -0.778 1.00 12.30 C ATOM 0 H ILE A 23 4.315 4.759 -4.214 1.00 8.32 H new ATOM 0 HA ILE A 23 2.666 2.641 -3.360 1.00 9.92 H new ATOM 0 HB ILE A 23 2.386 5.506 -3.142 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.584 4.585 -2.316 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.638 5.395 -1.082 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.117 5.093 -1.039 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.274 4.577 -2.519 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.047 3.367 -1.467 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.733 3.382 -0.167 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.965 3.187 -0.130 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.925 2.365 -1.383 1.00 12.30 H new ATOM 372 N GLU A 24 1.357 4.287 -5.810 1.00 9.54 N ATOM 373 CA GLU A 24 0.342 4.267 -6.823 1.00 11.81 C ATOM 374 C GLU A 24 0.348 2.890 -7.520 1.00 11.14 C ATOM 375 O GLU A 24 -0.734 2.263 -7.759 1.00 10.62 O ATOM 376 CB GLU A 24 0.537 5.486 -7.792 1.00 19.24 C ATOM 377 CG GLU A 24 -0.615 5.530 -8.817 1.00 27.76 C ATOM 378 CD GLU A 24 -0.496 6.694 -9.749 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.073 6.544 -10.877 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.188 7.764 -9.544 1.00 36.51 O ATOM 0 H GLU A 24 2.063 5.001 -5.991 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.652 4.388 -6.392 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.564 6.415 -7.222 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.493 5.402 -8.309 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.623 4.605 -9.393 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.567 5.585 -8.289 1.00 27.76 H new ATOM 387 N ASN A 25 1.545 2.379 -7.815 1.00 9.43 N ATOM 388 CA ASN A 25 1.738 1.102 -8.411 1.00 10.96 C ATOM 389 C ASN A 25 1.333 -0.027 -7.421 1.00 9.68 C ATOM 390 O ASN A 25 0.662 -1.018 -7.751 1.00 9.33 O ATOM 391 CB ASN A 25 3.177 0.780 -8.835 1.00 16.78 C ATOM 392 CG ASN A 25 3.865 1.666 -9.934 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.799 2.376 -9.504 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.538 1.623 -11.221 1.00 24.70 N ATOM 0 H ASN A 25 2.417 2.875 -7.631 1.00 9.43 H new ATOM 0 HA ASN A 25 1.116 1.146 -9.305 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.800 0.822 -7.942 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.193 -0.252 -9.187 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.057 2.183 -11.898 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.768 1.030 -11.532 1.00 24.70 H new ATOM 401 N VAL A 26 1.721 0.052 -6.163 1.00 6.52 N ATOM 402 CA VAL A 26 1.371 -0.851 -5.069 1.00 5.53 C ATOM 403 C VAL A 26 -0.145 -0.974 -4.793 1.00 4.42 C ATOM 404 O VAL A 26 -0.633 -2.080 -4.708 1.00 3.40 O ATOM 405 CB VAL A 26 2.059 -0.461 -3.739 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.522 -1.323 -2.548 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.510 -0.847 -3.822 1.00 8.12 C ATOM 0 H VAL A 26 2.335 0.803 -5.849 1.00 6.52 H new ATOM 0 HA VAL A 26 1.733 -1.816 -5.422 1.00 5.53 H new ATOM 0 HB VAL A 26 1.881 0.603 -3.585 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.025 -1.025 -1.628 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.448 -1.168 -2.442 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.719 -2.377 -2.744 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.012 -0.579 -2.892 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.592 -1.922 -3.982 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.980 -0.320 -4.652 1.00 8.12 H new ATOM 417 N LYS A 27 -0.939 0.099 -4.792 1.00 2.64 N ATOM 418 CA LYS A 27 -2.318 0.097 -4.862 1.00 4.14 C ATOM 419 C LYS A 27 -2.873 -0.498 -6.107 1.00 5.58 C ATOM 420 O LYS A 27 -3.960 -1.065 -6.064 1.00 4.11 O ATOM 421 CB LYS A 27 -2.800 1.573 -4.668 1.00 3.97 C ATOM 422 CG LYS A 27 -2.516 2.119 -3.276 1.00 7.45 C ATOM 423 CD LYS A 27 -3.425 3.361 -2.978 1.00 9.02 C ATOM 424 CE LYS A 27 -2.920 4.619 -3.663 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.599 5.843 -3.284 1.00 15.47 N ATOM 0 H LYS A 27 -0.558 1.044 -4.736 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.696 -0.552 -4.072 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.311 2.208 -5.407 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.872 1.627 -4.861 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.694 1.343 -2.531 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.466 2.402 -3.197 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.442 3.152 -3.309 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.468 3.528 -1.902 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.857 4.730 -3.447 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.014 4.489 -4.741 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.132 6.211 -4.098 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.254 5.648 -2.500 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -2.898 6.549 -2.982 1.00 15.47 H new ATOM 439 N ALA A 28 -2.245 -0.386 -7.273 1.00 6.61 N ATOM 440 CA ALA A 28 -2.586 -1.134 -8.521 1.00 7.74 C ATOM 441 C ALA A 28 -2.409 -2.607 -8.328 1.00 9.17 C ATOM 442 O ALA A 28 -3.229 -3.356 -8.736 1.00 11.45 O ATOM 443 CB ALA A 28 -1.759 -0.753 -9.844 1.00 7.68 C ATOM 0 H ALA A 28 -1.454 0.245 -7.400 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.621 -0.837 -8.690 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.102 -1.367 -10.677 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.915 0.300 -10.080 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.698 -0.933 -9.674 1.00 7.68 H new ATOM 449 N LYS A 29 -1.368 -3.030 -7.638 1.00 8.96 N ATOM 450 CA LYS A 29 -1.153 -4.449 -7.273 1.00 7.90 C ATOM 451 C LYS A 29 -2.222 -4.890 -6.257 1.00 6.92 C ATOM 452 O LYS A 29 -2.606 -6.082 -6.321 1.00 6.87 O ATOM 453 CB LYS A 29 0.201 -4.598 -6.651 1.00 10.28 C ATOM 454 CG LYS A 29 1.332 -4.486 -7.719 1.00 14.94 C ATOM 455 CD LYS A 29 2.761 -4.283 -7.171 1.00 19.69 C ATOM 456 CE LYS A 29 3.836 -3.897 -8.234 1.00 22.63 C ATOM 457 NZ LYS A 29 4.111 -5.022 -9.136 1.00 24.98 N ATOM 0 H LYS A 29 -0.632 -2.407 -7.304 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.223 -5.067 -8.168 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.340 -3.831 -5.890 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.268 -5.562 -6.147 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.322 -5.391 -8.326 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.097 -3.654 -8.383 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.732 -3.505 -6.408 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.077 -5.202 -6.677 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.490 -3.039 -8.811 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.756 -3.594 -7.733 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.710 -4.698 -9.922 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.603 -5.774 -8.613 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.215 -5.392 -9.513 1.00 24.98 H new ATOM 471 N ILE A 30 -2.782 -4.026 -5.395 1.00 4.57 N ATOM 472 CA ILE A 30 -3.903 -4.329 -4.557 1.00 5.58 C ATOM 473 C ILE A 30 -5.174 -4.452 -5.311 1.00 7.26 C ATOM 474 O ILE A 30 -5.975 -5.363 -5.044 1.00 9.46 O ATOM 475 CB ILE A 30 -3.942 -3.385 -3.330 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.587 -3.571 -2.519 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.186 -3.575 -2.441 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.309 -2.317 -1.657 1.00 2.00 C ATOM 0 H ILE A 30 -2.440 -3.073 -5.275 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.768 -5.330 -4.148 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.027 -2.358 -3.686 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.653 -4.453 -1.882 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.760 -3.738 -3.210 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.143 -2.880 -1.602 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.085 -3.382 -3.027 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.211 -4.597 -2.064 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.379 -2.454 -1.105 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.223 -1.443 -2.303 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.129 -2.169 -0.955 1.00 2.00 H new ATOM 490 N GLN A 31 -5.291 -3.583 -6.299 1.00 7.06 N ATOM 491 CA GLN A 31 -6.359 -3.690 -7.286 1.00 8.67 C ATOM 492 C GLN A 31 -6.199 -4.981 -8.164 1.00 10.90 C ATOM 493 O GLN A 31 -7.199 -5.607 -8.507 1.00 9.63 O ATOM 494 CB GLN A 31 -6.402 -2.448 -8.182 1.00 9.12 C ATOM 495 CG GLN A 31 -7.749 -2.346 -9.015 1.00 10.76 C ATOM 496 CD GLN A 31 -7.966 -1.124 -9.851 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.876 -0.325 -9.668 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.976 -0.800 -10.730 1.00 14.76 N ATOM 0 H GLN A 31 -4.661 -2.794 -6.442 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.300 -3.762 -6.741 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.291 -1.556 -7.566 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.555 -2.469 -8.868 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.802 -3.214 -9.672 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.581 -2.424 -8.315 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.209 -1.451 -10.897 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.002 0.094 -11.221 1.00 14.76 H new ATOM 507 N ASP A 32 -4.975 -5.393 -8.563 1.00 10.93 N ATOM 508 CA ASP A 32 -4.702 -6.576 -9.269 1.00 14.01 C ATOM 509 C ASP A 32 -5.144 -7.768 -8.388 1.00 14.04 C ATOM 510 O ASP A 32 -5.690 -8.781 -8.819 1.00 13.39 O ATOM 511 CB ASP A 32 -3.200 -6.619 -9.579 1.00 18.01 C ATOM 512 CG ASP A 32 -2.866 -7.761 -10.499 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.243 -7.685 -11.702 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.077 -8.672 -10.091 1.00 25.17 O ATOM 0 H ASP A 32 -4.134 -4.850 -8.370 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.244 -6.623 -10.214 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.894 -5.678 -10.037 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.637 -6.720 -8.651 1.00 18.01 H new ATOM 519 N LYS A 33 -4.838 -7.671 -7.071 1.00 14.22 N ATOM 520 CA LYS A 33 -5.162 -8.727 -6.072 1.00 14.00 C ATOM 521 C LYS A 33 -6.583 -8.908 -5.773 1.00 12.37 C ATOM 522 O LYS A 33 -7.069 -10.022 -5.751 1.00 12.17 O ATOM 523 CB LYS A 33 -4.266 -8.417 -4.806 1.00 18.62 C ATOM 524 CG LYS A 33 -4.362 -9.548 -3.740 1.00 24.00 C ATOM 525 CD LYS A 33 -3.759 -10.875 -4.252 1.00 27.61 C ATOM 526 CE LYS A 33 -2.232 -10.793 -4.339 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.726 -12.140 -4.628 1.00 30.06 N ATOM 0 H LYS A 33 -4.362 -6.863 -6.670 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.928 -9.706 -6.490 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.228 -8.296 -5.116 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.578 -7.472 -4.362 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.841 -9.238 -2.834 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -5.406 -9.704 -3.470 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -4.045 -11.688 -3.585 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -4.170 -11.109 -5.234 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.931 -10.096 -5.121 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.815 -10.421 -3.403 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.688 -12.115 -4.693 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.009 -12.788 -3.866 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.121 -12.473 -5.531 1.00 30.06 H new ATOM 541 N GLU A 34 -7.287 -7.796 -5.493 1.00 10.11 N ATOM 542 CA GLU A 34 -8.677 -7.836 -4.913 1.00 10.07 C ATOM 543 C GLU A 34 -9.783 -7.057 -5.612 1.00 9.32 C ATOM 544 O GLU A 34 -10.964 -7.182 -5.386 1.00 11.61 O ATOM 545 CB GLU A 34 -8.641 -7.354 -3.485 1.00 14.77 C ATOM 546 CG GLU A 34 -8.098 -8.436 -2.469 1.00 18.75 C ATOM 547 CD GLU A 34 -8.610 -7.986 -1.132 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.861 -8.000 -0.972 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.860 -7.590 -0.172 1.00 25.19 O ATOM 0 H GLU A 34 -6.933 -6.853 -5.652 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.946 -8.885 -5.039 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -8.014 -6.464 -3.426 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.646 -7.057 -3.185 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -8.462 -9.433 -2.718 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.009 -8.482 -2.482 1.00 18.75 H new ATOM 556 N GLY A 35 -9.359 -6.223 -6.582 1.00 7.22 N ATOM 557 CA GLY A 35 -10.267 -5.379 -7.288 1.00 6.29 C ATOM 558 C GLY A 35 -10.658 -4.064 -6.598 1.00 6.93 C ATOM 559 O GLY A 35 -11.289 -3.264 -7.226 1.00 7.41 O ATOM 0 H GLY A 35 -8.386 -6.136 -6.875 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.827 -5.139 -8.256 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.177 -5.945 -7.484 1.00 6.29 H new ATOM 563 N ILE A 36 -10.231 -3.846 -5.356 1.00 5.86 N ATOM 564 CA ILE A 36 -10.561 -2.628 -4.550 1.00 6.07 C ATOM 565 C ILE A 36 -9.888 -1.408 -5.240 1.00 6.36 C ATOM 566 O ILE A 36 -8.677 -1.496 -5.570 1.00 6.18 O ATOM 567 CB ILE A 36 -9.968 -2.751 -3.144 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.282 -4.157 -2.561 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.490 -1.505 -2.284 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.506 -4.473 -1.215 1.00 9.49 C ATOM 0 H ILE A 36 -9.637 -4.508 -4.856 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.643 -2.515 -4.484 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.879 -2.696 -3.137 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.354 -4.235 -2.380 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.028 -4.914 -3.303 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.084 -1.564 -1.274 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.163 -0.577 -2.753 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.579 -1.525 -2.239 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.774 -5.470 -0.866 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.432 -4.428 -1.395 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.778 -3.738 -0.457 1.00 9.49 H new ATOM 582 N PRO A 37 -10.585 -0.278 -5.560 1.00 8.65 N ATOM 583 CA PRO A 37 -10.037 0.819 -6.358 1.00 9.18 C ATOM 584 C PRO A 37 -8.944 1.516 -5.558 1.00 9.85 C ATOM 585 O PRO A 37 -9.190 1.652 -4.349 1.00 8.51 O ATOM 586 CB PRO A 37 -11.258 1.673 -6.658 1.00 11.42 C ATOM 587 CG PRO A 37 -12.490 0.715 -6.601 1.00 9.27 C ATOM 588 CD PRO A 37 -12.042 -0.247 -5.534 1.00 8.33 C ATOM 0 HA PRO A 37 -9.547 0.532 -7.288 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.358 2.478 -5.930 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.174 2.140 -7.639 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.408 1.236 -6.330 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.674 0.220 -7.554 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.402 0.070 -4.555 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.451 -1.241 -5.717 1.00 8.33 H new ATOM 596 N PRO A 38 -7.837 2.012 -6.064 1.00 8.71 N ATOM 597 CA PRO A 38 -6.886 2.744 -5.328 1.00 9.08 C ATOM 598 C PRO A 38 -7.350 3.868 -4.322 1.00 9.28 C ATOM 599 O PRO A 38 -6.797 4.154 -3.274 1.00 6.50 O ATOM 600 CB PRO A 38 -5.914 3.167 -6.444 1.00 10.31 C ATOM 601 CG PRO A 38 -5.869 2.045 -7.462 1.00 10.81 C ATOM 602 CD PRO A 38 -7.326 1.566 -7.409 1.00 12.00 C ATOM 0 HA PRO A 38 -6.447 2.138 -4.536 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.247 4.094 -6.911 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.921 3.354 -6.036 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.583 2.395 -8.454 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.164 1.261 -7.185 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.913 2.001 -8.218 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.389 0.483 -7.515 1.00 12.00 H new ATOM 610 N ASP A 39 -8.364 4.580 -4.708 1.00 11.20 N ATOM 611 CA ASP A 39 -8.865 5.689 -3.937 1.00 14.96 C ATOM 612 C ASP A 39 -9.715 5.202 -2.772 1.00 13.99 C ATOM 613 O ASP A 39 -10.023 5.975 -1.854 1.00 13.75 O ATOM 614 CB ASP A 39 -9.794 6.555 -4.822 1.00 24.16 C ATOM 615 CG ASP A 39 -8.867 7.190 -5.838 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.064 8.049 -5.386 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.924 6.975 -7.035 1.00 34.22 O ATOM 0 H ASP A 39 -8.875 4.411 -5.574 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.005 6.252 -3.575 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.559 5.948 -5.307 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.313 7.310 -4.232 1.00 24.16 H new ATOM 622 N GLN A 40 -10.093 3.886 -2.740 1.00 11.60 N ATOM 623 CA GLN A 40 -10.724 3.165 -1.620 1.00 10.76 C ATOM 624 C GLN A 40 -9.667 2.555 -0.710 1.00 8.01 C ATOM 625 O GLN A 40 -9.971 1.731 0.151 1.00 8.96 O ATOM 626 CB GLN A 40 -11.646 2.081 -2.129 1.00 11.14 C ATOM 627 CG GLN A 40 -12.958 2.709 -2.631 1.00 14.85 C ATOM 628 CD GLN A 40 -14.077 1.759 -3.026 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.426 1.661 -4.227 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.632 0.984 -2.092 1.00 18.16 N ATOM 0 H GLN A 40 -9.951 3.279 -3.547 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.311 3.885 -1.049 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.164 1.529 -2.936 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.855 1.365 -1.334 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.336 3.370 -1.851 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.725 3.334 -3.493 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.341 1.071 -1.118 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.347 0.304 -2.352 1.00 18.16 H new ATOM 639 N GLN A 41 -8.352 2.876 -0.929 1.00 6.52 N ATOM 640 CA GLN A 41 -7.273 2.280 -0.175 1.00 3.87 C ATOM 641 C GLN A 41 -6.380 3.311 0.478 1.00 4.79 C ATOM 642 O GLN A 41 -5.928 4.259 -0.158 1.00 6.34 O ATOM 643 CB GLN A 41 -6.346 1.480 -1.210 1.00 4.20 C ATOM 644 CG GLN A 41 -6.984 0.283 -1.980 1.00 3.20 C ATOM 645 CD GLN A 41 -5.995 -0.297 -2.936 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.811 -0.151 -2.684 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.407 -0.765 -4.138 1.00 7.13 N ATOM 0 H GLN A 41 -8.046 3.550 -1.631 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.717 1.654 0.599 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.974 2.192 -1.946 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.481 1.104 -0.664 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.311 -0.481 -1.274 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.870 0.618 -2.520 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.403 -0.879 -4.327 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.721 -1.003 -4.855 1.00 7.13 H new ATOM 656 N ARG A 42 -6.135 3.072 1.760 1.00 5.73 N ATOM 657 CA ARG A 42 -5.164 3.828 2.511 1.00 6.97 C ATOM 658 C ARG A 42 -4.045 2.992 3.091 1.00 7.15 C ATOM 659 O ARG A 42 -4.350 2.234 4.023 1.00 7.33 O ATOM 660 CB ARG A 42 -5.853 4.684 3.619 1.00 13.23 C ATOM 661 CG ARG A 42 -6.994 5.530 3.066 1.00 21.27 C ATOM 662 CD ARG A 42 -7.349 6.524 4.149 1.00 26.14 C ATOM 663 NE ARG A 42 -8.583 7.254 3.643 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.053 8.361 4.249 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.695 8.610 5.522 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.958 9.157 3.693 1.00 36.39 N ATOM 0 H ARG A 42 -6.608 2.347 2.300 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.691 4.494 1.789 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.236 4.026 4.399 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.113 5.335 4.086 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.691 6.042 2.153 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.852 4.908 2.813 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.552 6.019 5.094 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.528 7.219 4.328 1.00 26.14 H new ATOM 0 HE ARG A 42 -9.069 6.895 2.821 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.076 7.965 6.013 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.042 9.444 5.996 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.328 8.941 2.767 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.284 9.985 4.191 1.00 36.39 H new ATOM 680 N LEU A 43 -2.868 3.133 2.516 1.00 4.65 N ATOM 681 CA LEU A 43 -1.595 2.529 2.951 1.00 3.51 C ATOM 682 C LEU A 43 -0.929 3.323 4.001 1.00 5.56 C ATOM 683 O LEU A 43 -0.724 4.546 3.949 1.00 4.19 O ATOM 684 CB LEU A 43 -0.551 2.278 1.873 1.00 3.74 C ATOM 685 CG LEU A 43 -0.972 1.187 0.863 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.301 1.317 -0.520 1.00 9.55 C ATOM 687 CD2 LEU A 43 -0.775 -0.239 1.414 1.00 6.41 C ATOM 0 H LEU A 43 -2.752 3.705 1.680 1.00 4.65 H new ATOM 0 HA LEU A 43 -1.935 1.559 3.313 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.361 3.208 1.336 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.387 1.985 2.345 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.038 1.359 0.717 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.649 0.514 -1.170 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.560 2.279 -0.961 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.781 1.249 -0.407 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.087 -0.965 0.663 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.277 -0.394 1.654 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.376 -0.367 2.314 1.00 6.41 H new ATOM 699 N ILE A 44 -0.755 2.762 5.199 1.00 4.58 N ATOM 700 CA ILE A 44 -0.234 3.390 6.401 1.00 5.55 C ATOM 701 C ILE A 44 1.037 2.681 6.710 1.00 5.46 C ATOM 702 O ILE A 44 1.139 1.447 6.673 1.00 6.04 O ATOM 703 CB ILE A 44 -1.288 3.284 7.554 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.191 4.576 7.431 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.614 3.268 8.963 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.239 4.501 6.339 1.00 13.90 C ATOM 0 H ILE A 44 -0.994 1.784 5.360 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.040 4.455 6.274 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.854 2.357 7.461 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.689 4.750 8.385 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.550 5.437 7.245 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.382 3.194 9.733 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.057 2.412 9.036 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.046 4.187 9.105 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.814 5.427 6.323 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.750 4.360 5.375 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.907 3.662 6.533 1.00 13.90 H new ATOM 718 N PHE A 45 2.077 3.377 7.030 1.00 6.75 N ATOM 719 CA PHE A 45 3.324 2.780 7.532 1.00 4.70 C ATOM 720 C PHE A 45 4.143 3.793 8.194 1.00 6.34 C ATOM 721 O PHE A 45 4.167 4.938 7.775 1.00 5.45 O ATOM 722 CB PHE A 45 4.090 2.143 6.333 1.00 5.51 C ATOM 723 CG PHE A 45 5.492 1.615 6.529 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.641 0.305 7.026 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.637 2.359 6.122 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.935 -0.258 7.199 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.920 1.761 6.252 1.00 6.64 C ATOM 728 CZ PHE A 45 8.067 0.439 6.749 1.00 6.84 C ATOM 0 H PHE A 45 2.110 4.394 6.958 1.00 6.75 H new ATOM 0 HA PHE A 45 3.096 2.008 8.267 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.482 1.319 5.961 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.133 2.891 5.541 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.766 -0.276 7.277 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.532 3.357 5.723 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.047 -1.221 7.676 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.798 2.322 5.968 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.041 -0.026 6.780 1.00 6.84 H new ATOM 738 N ALA A 46 4.837 3.432 9.282 1.00 6.53 N ATOM 739 CA ALA A 46 5.595 4.368 10.141 1.00 7.15 C ATOM 740 C ALA A 46 4.765 5.552 10.711 1.00 9.00 C ATOM 741 O ALA A 46 5.210 6.723 10.783 1.00 11.15 O ATOM 742 CB ALA A 46 6.926 4.711 9.450 1.00 8.99 C ATOM 0 H ALA A 46 4.892 2.465 9.600 1.00 6.53 H new ATOM 0 HA ALA A 46 5.851 3.871 11.077 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.493 5.401 10.075 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.504 3.799 9.300 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.726 5.177 8.485 1.00 8.99 H new ATOM 748 N GLY A 47 3.591 5.114 11.214 1.00 9.35 N ATOM 749 CA GLY A 47 2.646 5.943 11.957 1.00 11.68 C ATOM 750 C GLY A 47 1.720 6.879 11.180 1.00 11.14 C ATOM 751 O GLY A 47 0.900 7.499 11.813 1.00 13.93 O ATOM 0 H GLY A 47 3.276 4.150 11.107 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.020 5.278 12.552 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.219 6.551 12.657 1.00 11.68 H new ATOM 755 N LYS A 48 1.866 6.907 9.849 1.00 10.47 N ATOM 756 CA LYS A 48 1.320 7.924 8.924 1.00 8.82 C ATOM 757 C LYS A 48 0.808 7.256 7.641 1.00 7.68 C ATOM 758 O LYS A 48 1.049 6.152 7.364 1.00 6.47 O ATOM 759 CB LYS A 48 2.518 8.829 8.580 1.00 9.74 C ATOM 760 CG LYS A 48 3.747 8.218 7.934 1.00 14.14 C ATOM 761 CD LYS A 48 4.810 9.267 7.558 1.00 16.32 C ATOM 762 CE LYS A 48 6.190 8.743 7.064 1.00 20.04 C ATOM 763 NZ LYS A 48 7.077 9.862 6.567 1.00 23.92 N ATOM 0 H LYS A 48 2.394 6.186 9.357 1.00 10.47 H new ATOM 0 HA LYS A 48 0.488 8.471 9.368 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.156 9.615 7.917 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.839 9.313 9.502 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.187 7.491 8.617 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.448 7.674 7.038 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.393 9.905 6.778 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.982 9.899 8.429 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.691 8.218 7.878 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.037 8.019 6.264 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.985 9.469 6.248 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.612 10.347 5.774 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.245 10.540 7.337 1.00 23.92 H new ATOM 777 N GLN A 49 -0.041 7.991 6.843 1.00 8.89 N ATOM 778 CA GLN A 49 -0.494 7.625 5.498 1.00 7.18 C ATOM 779 C GLN A 49 0.528 7.905 4.479 1.00 8.23 C ATOM 780 O GLN A 49 1.169 8.929 4.505 1.00 9.70 O ATOM 781 CB GLN A 49 -1.896 8.215 5.145 1.00 11.67 C ATOM 782 CG GLN A 49 -2.482 8.041 3.782 1.00 15.82 C ATOM 783 CD GLN A 49 -3.833 8.762 3.659 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.495 9.167 4.589 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.308 8.881 2.359 1.00 20.67 N ATOM 0 H GLN A 49 -0.429 8.882 7.152 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.635 6.544 5.500 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.608 7.794 5.855 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.849 9.287 5.338 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.791 8.430 3.034 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.614 6.979 3.573 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.748 8.539 1.578 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.217 9.310 2.185 1.00 20.67 H new ATOM 794 N LEU A 50 0.781 6.983 3.532 1.00 6.51 N ATOM 795 CA LEU A 50 1.789 7.013 2.440 1.00 7.41 C ATOM 796 C LEU A 50 1.227 7.646 1.156 1.00 8.27 C ATOM 797 O LEU A 50 0.081 7.471 0.801 1.00 8.34 O ATOM 798 CB LEU A 50 2.386 5.699 2.043 1.00 7.13 C ATOM 799 CG LEU A 50 2.664 4.671 3.133 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.185 3.377 2.539 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.668 5.272 4.091 1.00 9.11 C ATOM 0 H LEU A 50 0.241 6.118 3.503 1.00 6.51 H new ATOM 0 HA LEU A 50 2.582 7.611 2.889 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.719 5.238 1.314 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.326 5.903 1.531 1.00 7.13 H new ATOM 0 HG LEU A 50 1.743 4.427 3.662 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.375 2.661 3.338 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.444 2.967 1.853 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.111 3.572 1.998 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.887 4.557 4.884 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.586 5.510 3.554 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.256 6.182 4.527 1.00 9.11 H new ATOM 813 N GLU A 51 2.140 8.401 0.426 1.00 9.43 N ATOM 814 CA GLU A 51 1.820 9.277 -0.737 1.00 11.90 C ATOM 815 C GLU A 51 2.008 8.607 -2.122 1.00 11.49 C ATOM 816 O GLU A 51 3.018 7.958 -2.321 1.00 9.88 O ATOM 817 CB GLU A 51 2.652 10.591 -0.705 1.00 16.56 C ATOM 818 CG GLU A 51 2.464 11.403 0.573 1.00 26.06 C ATOM 819 CD GLU A 51 3.366 12.594 0.577 1.00 29.86 C ATOM 820 OE1 GLU A 51 4.522 12.558 0.040 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.922 13.655 1.090 1.00 32.13 O ATOM 0 H GLU A 51 3.135 8.403 0.651 1.00 9.43 H new ATOM 0 HA GLU A 51 0.757 9.491 -0.624 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.708 10.345 -0.817 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.376 11.207 -1.561 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.426 11.726 0.656 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.674 10.778 1.441 1.00 26.06 H new ATOM 828 N ASP A 52 1.069 8.796 -3.065 1.00 12.71 N ATOM 829 CA ASP A 52 0.952 8.149 -4.364 1.00 16.56 C ATOM 830 C ASP A 52 2.239 8.280 -5.269 1.00 15.83 C ATOM 831 O ASP A 52 2.759 7.309 -5.799 1.00 17.21 O ATOM 832 CB ASP A 52 -0.320 8.584 -5.083 1.00 21.05 C ATOM 833 CG ASP A 52 -1.625 8.127 -4.477 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.963 8.229 -3.297 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.335 7.506 -5.281 1.00 25.82 O ATOM 0 H ASP A 52 0.313 9.464 -2.916 1.00 12.71 H new ATOM 0 HA ASP A 52 0.872 7.081 -4.163 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.329 9.673 -5.132 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.274 8.219 -6.109 1.00 21.05 H new ATOM 840 N GLY A 53 2.790 9.524 -5.363 1.00 15.00 N ATOM 841 CA GLY A 53 4.004 9.914 -6.204 1.00 11.77 C ATOM 842 C GLY A 53 5.347 9.482 -5.636 1.00 11.10 C ATOM 843 O GLY A 53 6.386 9.778 -6.257 1.00 11.25 O ATOM 0 H GLY A 53 2.406 10.318 -4.850 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.892 9.482 -7.199 1.00 11.77 H new ATOM 0 HA3 GLY A 53 4.010 10.997 -6.326 1.00 11.77 H new ATOM 847 N ARG A 54 5.347 8.751 -4.528 1.00 8.53 N ATOM 848 CA ARG A 54 6.566 8.379 -3.942 1.00 9.05 C ATOM 849 C ARG A 54 6.763 6.883 -3.976 1.00 8.96 C ATOM 850 O ARG A 54 5.828 6.133 -4.233 1.00 11.60 O ATOM 851 CB ARG A 54 6.479 8.642 -2.420 1.00 7.97 C ATOM 852 CG ARG A 54 6.035 10.053 -2.011 1.00 9.62 C ATOM 853 CD ARG A 54 6.967 11.180 -2.477 1.00 12.20 C ATOM 854 NE ARG A 54 6.538 12.449 -1.743 1.00 18.23 N ATOM 855 CZ ARG A 54 7.034 13.633 -1.936 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.016 13.906 -2.769 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.456 14.693 -1.354 1.00 23.38 N ATOM 0 H ARG A 54 4.511 8.422 -4.044 1.00 8.53 H new ATOM 0 HA ARG A 54 7.345 8.924 -4.475 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.785 7.923 -1.985 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.457 8.447 -1.980 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.038 10.236 -2.412 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.954 10.093 -0.925 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.006 10.938 -2.253 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.897 11.317 -3.556 1.00 12.20 H new ATOM 0 HE ARG A 54 5.801 12.359 -1.044 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.441 13.159 -3.318 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.352 14.864 -2.865 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.633 14.566 -0.765 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.839 15.627 -1.500 1.00 23.38 H new ATOM 871 N THR A 55 8.065 6.453 -3.760 1.00 9.05 N ATOM 872 CA THR A 55 8.583 5.112 -3.839 1.00 9.03 C ATOM 873 C THR A 55 8.698 4.420 -2.533 1.00 8.15 C ATOM 874 O THR A 55 8.659 5.042 -1.467 1.00 5.91 O ATOM 875 CB THR A 55 9.861 5.032 -4.667 1.00 11.15 C ATOM 876 OG1 THR A 55 11.080 5.487 -3.949 1.00 11.95 O ATOM 877 CG2 THR A 55 9.752 5.649 -6.109 1.00 11.71 C ATOM 0 H THR A 55 8.797 7.119 -3.511 1.00 9.05 H new ATOM 0 HA THR A 55 7.822 4.547 -4.377 1.00 9.03 H new ATOM 0 HB THR A 55 9.985 3.960 -4.822 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.125 6.466 -3.968 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.708 5.546 -6.622 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.980 5.124 -6.672 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.492 6.705 -6.034 1.00 11.71 H new ATOM 885 N LEU A 56 8.862 3.084 -2.653 1.00 6.91 N ATOM 886 CA LEU A 56 9.159 2.191 -1.524 1.00 8.29 C ATOM 887 C LEU A 56 10.455 2.533 -0.786 1.00 8.05 C ATOM 888 O LEU A 56 10.517 2.505 0.423 1.00 10.17 O ATOM 889 CB LEU A 56 9.117 0.675 -1.962 1.00 6.60 C ATOM 890 CG LEU A 56 7.825 0.163 -2.468 1.00 7.73 C ATOM 891 CD1 LEU A 56 8.022 -1.302 -2.960 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.574 0.183 -1.578 1.00 8.64 C ATOM 0 H LEU A 56 8.790 2.596 -3.546 1.00 6.91 H new ATOM 0 HA LEU A 56 8.363 2.358 -0.799 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.869 0.524 -2.736 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.413 0.066 -1.108 1.00 6.60 H new ATOM 0 HG LEU A 56 7.590 0.900 -3.236 1.00 7.73 H new ATOM 0 HD11 LEU A 56 7.075 -1.690 -3.336 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.764 -1.321 -3.758 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.365 -1.921 -2.131 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.730 -0.233 -2.128 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.754 -0.413 -0.684 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.349 1.210 -1.290 1.00 8.64 H new ATOM 904 N SER A 57 11.466 2.914 -1.571 1.00 8.92 N ATOM 905 CA SER A 57 12.736 3.438 -1.166 1.00 9.00 C ATOM 906 C SER A 57 12.612 4.656 -0.367 1.00 9.44 C ATOM 907 O SER A 57 13.331 4.853 0.620 1.00 10.91 O ATOM 908 CB SER A 57 13.560 3.651 -2.412 1.00 10.32 C ATOM 909 OG SER A 57 14.970 3.671 -2.145 1.00 13.59 O ATOM 0 H SER A 57 11.393 2.851 -2.586 1.00 8.92 H new ATOM 0 HA SER A 57 13.234 2.726 -0.508 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.341 2.859 -3.128 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.269 4.592 -2.879 1.00 10.32 H new ATOM 0 HG SER A 57 15.460 3.810 -2.983 1.00 13.59 H new ATOM 915 N ASP A 58 11.690 5.567 -0.785 1.00 9.11 N ATOM 916 CA ASP A 58 11.550 6.901 -0.127 1.00 7.91 C ATOM 917 C ASP A 58 11.039 6.685 1.297 1.00 9.12 C ATOM 918 O ASP A 58 11.368 7.475 2.155 1.00 8.61 O ATOM 919 CB ASP A 58 10.574 7.738 -0.930 1.00 8.41 C ATOM 920 CG ASP A 58 11.161 8.111 -2.257 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.297 8.675 -2.294 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.534 7.905 -3.349 1.00 11.70 O ATOM 0 H ASP A 58 11.044 5.409 -1.558 1.00 9.11 H new ATOM 0 HA ASP A 58 12.506 7.422 -0.086 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.648 7.182 -1.080 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.318 8.640 -0.374 1.00 8.41 H new ATOM 927 N TYR A 59 10.137 5.735 1.631 1.00 7.97 N ATOM 928 CA TYR A 59 9.524 5.496 2.938 1.00 8.45 C ATOM 929 C TYR A 59 10.408 4.435 3.683 1.00 10.98 C ATOM 930 O TYR A 59 10.043 4.052 4.811 1.00 12.95 O ATOM 931 CB TYR A 59 8.110 4.849 2.772 1.00 7.94 C ATOM 932 CG TYR A 59 7.217 5.978 2.433 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.896 6.915 3.464 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.618 6.101 1.166 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.119 7.986 3.144 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.750 7.189 0.896 1.00 6.52 C ATOM 937 CZ TYR A 59 5.513 8.124 1.907 1.00 6.76 C ATOM 938 OH TYR A 59 4.598 9.085 1.639 1.00 7.63 O ATOM 0 H TYR A 59 9.799 5.070 0.935 1.00 7.97 H new ATOM 0 HA TYR A 59 9.444 6.442 3.474 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.110 4.094 1.986 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.791 4.354 3.689 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.261 6.777 4.471 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.819 5.367 0.400 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.969 8.758 3.884 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.281 7.293 -0.071 1.00 6.52 H new ATOM 0 HH TYR A 59 4.986 9.745 1.027 1.00 7.63 H new ATOM 948 N ASN A 60 11.469 3.946 2.985 1.00 12.38 N ATOM 949 CA ASN A 60 12.351 2.843 3.384 1.00 13.94 C ATOM 950 C ASN A 60 11.651 1.510 3.639 1.00 14.16 C ATOM 951 O ASN A 60 11.835 0.837 4.646 1.00 14.26 O ATOM 952 CB ASN A 60 13.328 3.167 4.497 1.00 19.23 C ATOM 953 CG ASN A 60 13.920 4.557 4.282 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.511 5.590 4.833 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.901 4.609 3.322 1.00 24.09 N ATOM 0 H ASN A 60 11.736 4.340 2.083 1.00 12.38 H new ATOM 0 HA ASN A 60 12.947 2.710 2.481 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.821 3.123 5.461 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.124 2.423 4.521 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.304 5.506 3.053 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.226 3.750 2.878 1.00 24.09 H new ATOM 962 N ILE A 61 10.824 1.058 2.680 1.00 11.08 N ATOM 963 CA ILE A 61 10.175 -0.220 2.886 1.00 11.78 C ATOM 964 C ILE A 61 11.095 -1.375 2.336 1.00 13.74 C ATOM 965 O ILE A 61 11.349 -1.547 1.147 1.00 14.60 O ATOM 966 CB ILE A 61 8.834 -0.218 2.158 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.805 0.809 2.708 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.047 -1.562 2.144 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.684 1.232 1.777 1.00 11.42 C ATOM 0 H ILE A 61 10.606 1.537 1.806 1.00 11.08 H new ATOM 0 HA ILE A 61 10.007 -0.386 3.950 1.00 11.78 H new ATOM 0 HB ILE A 61 9.185 0.030 1.156 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.356 0.389 3.608 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.349 1.704 3.010 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.113 -1.431 1.597 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.648 -2.330 1.657 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.829 -1.866 3.168 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.040 1.949 2.285 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.107 1.693 0.884 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.099 0.358 1.491 1.00 11.42 H new ATOM 981 N GLN A 62 11.666 -2.189 3.310 1.00 13.97 N ATOM 982 CA GLN A 62 12.706 -3.184 3.059 1.00 15.52 C ATOM 983 C GLN A 62 12.163 -4.604 2.791 1.00 13.94 C ATOM 984 O GLN A 62 10.943 -4.840 2.728 1.00 12.15 O ATOM 985 CB GLN A 62 13.664 -3.318 4.296 1.00 19.53 C ATOM 986 CG GLN A 62 14.542 -2.016 4.550 1.00 26.38 C ATOM 987 CD GLN A 62 15.506 -2.229 5.724 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.679 -2.594 5.556 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.957 -2.057 6.951 1.00 32.71 N ATOM 0 H GLN A 62 11.388 -2.143 4.290 1.00 13.97 H new ATOM 0 HA GLN A 62 13.219 -2.817 2.170 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.071 -3.528 5.186 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.325 -4.171 4.145 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.106 -1.771 3.650 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.890 -1.167 4.758 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.987 -1.755 7.038 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.514 -2.229 7.788 1.00 32.71 H new ATOM 998 N LYS A 63 13.007 -5.587 2.434 1.00 11.73 N ATOM 999 CA LYS A 63 12.591 -6.950 2.165 1.00 11.97 C ATOM 1000 C LYS A 63 11.802 -7.631 3.263 1.00 10.41 C ATOM 1001 O LYS A 63 12.355 -7.970 4.307 1.00 9.59 O ATOM 1002 CB LYS A 63 13.792 -7.828 1.838 1.00 13.73 C ATOM 1003 CG LYS A 63 13.472 -9.295 1.479 1.00 16.98 C ATOM 1004 CD LYS A 63 14.769 -10.016 1.129 1.00 20.19 C ATOM 1005 CE LYS A 63 15.554 -10.573 2.328 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.710 -11.306 1.897 1.00 25.97 N ATOM 0 H LYS A 63 14.011 -5.442 2.326 1.00 11.73 H new ATOM 0 HA LYS A 63 11.915 -6.845 1.316 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.331 -7.379 1.004 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.467 -7.822 2.694 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.981 -9.789 2.318 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.781 -9.334 0.637 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.537 -10.839 0.453 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.413 -9.327 0.583 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.861 -9.753 2.977 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.908 -11.222 2.919 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.220 -11.670 2.727 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.413 -12.102 1.297 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.336 -10.678 1.354 1.00 25.97 H new ATOM 1020 N GLU A 64 10.451 -7.897 3.051 1.00 10.04 N ATOM 1021 CA GLU A 64 9.439 -8.588 3.869 1.00 10.94 C ATOM 1022 C GLU A 64 8.921 -7.633 4.922 1.00 9.74 C ATOM 1023 O GLU A 64 8.133 -7.911 5.816 1.00 9.42 O ATOM 1024 CB GLU A 64 9.867 -9.924 4.503 1.00 18.31 C ATOM 1025 CG GLU A 64 10.172 -11.051 3.458 1.00 24.16 C ATOM 1026 CD GLU A 64 10.554 -12.332 4.081 1.00 29.00 C ATOM 1027 OE1 GLU A 64 9.792 -12.730 5.039 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.601 -12.955 3.726 1.00 32.61 O ATOM 0 H GLU A 64 10.023 -7.578 2.182 1.00 10.04 H new ATOM 0 HA GLU A 64 8.654 -8.881 3.172 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.754 -9.758 5.114 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.079 -10.267 5.173 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.292 -11.206 2.833 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.976 -10.720 2.800 1.00 24.16 H new ATOM 1035 N SER A 65 9.191 -6.302 4.662 1.00 6.85 N ATOM 1036 CA SER A 65 8.529 -5.280 5.463 1.00 6.90 C ATOM 1037 C SER A 65 7.028 -5.206 5.250 1.00 4.72 C ATOM 1038 O SER A 65 6.622 -5.681 4.231 1.00 3.91 O ATOM 1039 CB SER A 65 9.161 -3.887 5.200 1.00 7.28 C ATOM 1040 OG SER A 65 8.763 -3.135 6.345 1.00 10.56 O ATOM 0 H SER A 65 9.827 -5.958 3.943 1.00 6.85 H new ATOM 0 HA SER A 65 8.683 -5.576 6.501 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.246 -3.946 5.112 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.790 -3.443 4.276 1.00 7.28 H new ATOM 0 HG SER A 65 8.230 -2.363 6.061 1.00 10.56 H new ATOM 1046 N THR A 66 6.260 -4.846 6.283 1.00 4.48 N ATOM 1047 CA THR A 66 4.817 -4.965 6.340 1.00 3.80 C ATOM 1048 C THR A 66 4.141 -3.612 6.302 1.00 4.60 C ATOM 1049 O THR A 66 4.591 -2.765 7.022 1.00 5.33 O ATOM 1050 CB THR A 66 4.319 -5.727 7.555 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.872 -7.062 7.592 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.766 -5.840 7.605 1.00 3.40 C ATOM 0 H THR A 66 6.654 -4.447 7.135 1.00 4.48 H new ATOM 0 HA THR A 66 4.550 -5.538 5.452 1.00 3.80 H new ATOM 0 HB THR A 66 4.652 -5.152 8.419 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.538 -7.533 8.384 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.470 -6.395 8.495 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.329 -4.842 7.638 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.410 -6.363 6.717 1.00 3.40 H new ATOM 1060 N LEU A 67 3.126 -3.402 5.445 1.00 4.17 N ATOM 1061 CA LEU A 67 2.425 -2.165 5.415 1.00 3.85 C ATOM 1062 C LEU A 67 1.056 -2.331 6.005 1.00 3.80 C ATOM 1063 O LEU A 67 0.477 -3.390 5.911 1.00 5.54 O ATOM 1064 CB LEU A 67 2.165 -1.623 4.015 1.00 7.18 C ATOM 1065 CG LEU A 67 3.406 -1.518 3.158 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.045 -0.799 1.821 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.632 -0.877 3.847 1.00 11.66 C ATOM 0 H LEU A 67 2.793 -4.093 4.773 1.00 4.17 H new ATOM 0 HA LEU A 67 3.071 -1.482 5.967 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.443 -2.269 3.514 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.708 -0.637 4.097 1.00 7.18 H new ATOM 0 HG LEU A 67 3.734 -2.539 2.961 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.936 -0.720 1.198 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.283 -1.373 1.293 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.663 0.199 2.036 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.468 -0.849 3.149 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.385 0.138 4.159 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.909 -1.468 4.720 1.00 11.66 H new ATOM 1079 N HIS A 68 0.447 -1.255 6.531 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.956 -1.338 6.958 1.00 4.17 C ATOM 1081 C HIS A 68 -1.874 -0.823 5.934 1.00 5.32 C ATOM 1082 O HIS A 68 -1.504 0.086 5.182 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.206 -0.588 8.310 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.257 -0.937 9.375 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.441 -1.980 10.164 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.014 -0.452 9.646 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.659 -2.079 10.949 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.588 -1.199 10.641 1.00 16.30 N ATOM 0 H HIS A 68 0.889 -0.346 6.667 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.160 -2.398 7.107 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.156 0.486 8.132 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.217 -0.807 8.653 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.480 0.386 9.149 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.762 -2.803 11.743 1.00 14.75 H new ATOM 0 HE2 HIS A 68 2.518 -1.097 11.048 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.136 -1.353 5.875 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.091 -1.012 4.765 1.00 3.97 C ATOM 1098 C LEU A 69 -5.450 -0.728 5.387 1.00 5.07 C ATOM 1099 O LEU A 69 -6.018 -1.541 6.173 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.043 -2.158 3.769 1.00 6.08 C ATOM 1101 CG LEU A 69 -4.924 -2.102 2.526 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.480 -1.069 1.531 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -4.985 -3.492 1.898 1.00 9.96 C ATOM 0 H LEU A 69 -3.511 -2.004 6.565 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.834 -0.111 4.208 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.010 -2.259 3.435 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.294 -3.072 4.308 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.922 -1.792 2.836 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.149 -1.081 0.671 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.504 -0.083 1.995 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.464 -1.292 1.204 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -5.613 -3.462 1.008 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -3.980 -3.811 1.622 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.405 -4.197 2.615 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.043 0.434 5.079 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.346 0.968 5.589 1.00 6.26 C ATOM 1117 C VAL A 70 -8.225 1.016 4.388 1.00 9.22 C ATOM 1118 O VAL A 70 -7.723 1.375 3.346 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.348 2.216 6.445 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.566 2.239 7.404 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.080 2.409 7.321 1.00 8.54 C ATOM 0 H VAL A 70 -5.607 1.082 4.423 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.718 0.300 6.366 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.386 3.026 5.716 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.539 3.148 8.005 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.488 2.216 6.822 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.529 1.369 8.060 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.173 3.329 7.898 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.975 1.563 8.001 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.201 2.470 6.680 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.463 0.569 4.483 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.166 0.436 3.258 1.00 16.06 C ATOM 1133 C LEU A 71 -11.520 1.161 3.391 1.00 18.09 C ATOM 1134 O LEU A 71 -12.257 1.001 4.372 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.423 -1.018 2.741 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.189 -1.927 2.540 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -9.669 -3.378 2.430 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.399 -1.460 1.336 1.00 19.57 C ATOM 0 H LEU A 71 -9.959 0.313 5.336 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.506 0.877 2.511 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.095 -1.512 3.443 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -10.950 -0.949 1.789 1.00 17.10 H new ATOM 0 HG LEU A 71 -8.509 -1.869 3.390 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -8.811 -4.035 2.288 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.193 -3.658 3.344 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.345 -3.474 1.580 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -7.530 -2.104 1.199 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.029 -1.506 0.448 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.068 -0.433 1.494 1.00 19.57 H new