USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 LYS NZ :NH3+ 155:sc= 1.25 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot 140:sc= 1.03 USER MOD Single : A 1 MET CE :methyl -148:sc= 0 (180deg=-0.178) USER MOD Single : A 1 MET N :NH3+ -150:sc= 1.7 (180deg=1.25) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.27) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= 0.915 (180deg=-0.11) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0545 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0105 K(o=-0.01,f=-1.5!) USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 1.15 (180deg=1.14) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : A 31 GLN : amide:sc= -0.848 K(o=-0.85,f=-3.1!) USER MOD Single : A 33 LYS NZ :NH3+ -154:sc= 1.33 (180deg=1.18) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 41 GLN : amide:sc= 1.03 K(o=1,f=-3.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -67:sc= 1.05 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= 0.383 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 62 GLN : amide:sc= -0.338 K(o=-0.34,f=-3.3!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.643 K(o=0.64,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.140 -7.724 -4.880 1.00 9.67 N ATOM 2 CA MET A 1 11.023 -7.686 -3.387 1.00 10.38 C ATOM 3 C MET A 1 9.627 -8.017 -3.012 1.00 9.62 C ATOM 4 O MET A 1 8.609 -7.656 -3.684 1.00 9.62 O ATOM 5 CB MET A 1 11.550 -6.290 -2.905 1.00 13.77 C ATOM 6 CG MET A 1 11.479 -6.079 -1.378 1.00 16.29 C ATOM 7 SD MET A 1 12.272 -4.541 -0.827 1.00 17.17 S ATOM 8 CE MET A 1 11.013 -3.326 -1.229 1.00 16.11 C ATOM 0 H1 MET A 1 12.107 -8.001 -5.146 1.00 9.67 H new ATOM 0 H2 MET A 1 10.464 -8.415 -5.264 1.00 9.67 H new ATOM 0 H3 MET A 1 10.930 -6.782 -5.269 1.00 9.67 H new ATOM 0 HA MET A 1 11.636 -8.432 -2.880 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.584 -6.173 -3.229 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.972 -5.507 -3.396 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.434 -6.072 -1.067 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.954 -6.924 -0.879 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.490 -2.383 -1.495 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.419 -3.683 -2.070 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.365 -3.174 -0.366 1.00 16.11 H new ATOM 20 N GLN A 2 9.504 -8.817 -1.954 1.00 9.27 N ATOM 21 CA GLN A 2 8.234 -9.153 -1.349 1.00 9.07 C ATOM 22 C GLN A 2 7.962 -8.290 -0.180 1.00 8.72 C ATOM 23 O GLN A 2 8.760 -8.277 0.783 1.00 8.22 O ATOM 24 CB GLN A 2 8.267 -10.712 -0.995 1.00 14.46 C ATOM 25 CG GLN A 2 6.860 -11.244 -0.716 1.00 17.01 C ATOM 26 CD GLN A 2 6.802 -12.725 -0.607 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.949 -13.325 0.463 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.595 -13.347 -1.808 1.00 19.49 N ATOM 0 H GLN A 2 10.302 -9.253 -1.492 1.00 9.27 H new ATOM 0 HA GLN A 2 7.408 -8.969 -2.036 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.711 -11.266 -1.822 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.901 -10.877 -0.124 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.490 -10.804 0.210 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.192 -10.919 -1.513 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.481 -12.793 -2.657 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.555 -14.365 -1.855 1.00 19.49 H new ATOM 37 N ILE A 3 6.788 -7.580 -0.208 1.00 5.87 N ATOM 38 CA ILE A 3 6.413 -6.779 0.914 1.00 5.07 C ATOM 39 C ILE A 3 5.039 -7.228 1.345 1.00 4.01 C ATOM 40 O ILE A 3 4.323 -7.839 0.543 1.00 4.61 O ATOM 41 CB ILE A 3 6.367 -5.264 0.590 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.369 -4.918 -0.532 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.870 -4.826 0.278 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.270 -3.409 -0.668 1.00 10.83 C ATOM 0 H ILE A 3 6.131 -7.571 -0.988 1.00 5.87 H new ATOM 0 HA ILE A 3 7.161 -6.910 1.696 1.00 5.07 H new ATOM 0 HB ILE A 3 5.983 -4.696 1.438 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.696 -5.359 -1.474 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.389 -5.339 -0.306 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.897 -3.762 0.042 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.494 -5.020 1.150 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.246 -5.396 -0.572 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.565 -3.161 -1.461 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.924 -2.981 0.273 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.250 -3.001 -0.913 1.00 10.83 H new ATOM 56 N PHE A 4 4.621 -7.031 2.621 1.00 4.55 N ATOM 57 CA PHE A 4 3.448 -7.648 3.167 1.00 4.68 C ATOM 58 C PHE A 4 2.417 -6.558 3.456 1.00 5.30 C ATOM 59 O PHE A 4 2.726 -5.484 3.987 1.00 5.58 O ATOM 60 CB PHE A 4 3.891 -8.542 4.378 1.00 4.83 C ATOM 61 CG PHE A 4 4.479 -9.898 3.934 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.951 -10.619 2.887 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.520 -10.438 4.660 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.490 -11.795 2.409 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.105 -11.632 4.273 1.00 10.61 C ATOM 66 CZ PHE A 4 5.595 -12.298 3.129 1.00 8.90 C ATOM 0 H PHE A 4 5.112 -6.429 3.282 1.00 4.55 H new ATOM 0 HA PHE A 4 2.944 -8.328 2.480 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.633 -8.005 4.968 1.00 4.83 H new ATOM 0 HB3 PHE A 4 3.033 -8.718 5.027 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.059 -10.240 2.410 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.882 -9.925 5.539 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.092 -12.298 1.540 1.00 9.10 H new ATOM 0 HE2 PHE A 4 6.932 -12.047 4.830 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.064 -13.214 2.800 1.00 8.90 H new ATOM 76 N VAL A 5 1.147 -6.841 3.200 1.00 4.44 N ATOM 77 CA VAL A 5 0.161 -5.773 3.511 1.00 3.87 C ATOM 78 C VAL A 5 -0.981 -6.278 4.309 1.00 4.93 C ATOM 79 O VAL A 5 -1.521 -7.332 3.907 1.00 6.84 O ATOM 80 CB VAL A 5 -0.410 -5.008 2.312 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.212 -3.800 2.793 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.800 -4.399 1.616 1.00 9.13 C ATOM 0 H VAL A 5 0.781 -7.711 2.814 1.00 4.44 H new ATOM 0 HA VAL A 5 0.765 -5.068 4.081 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.024 -5.669 1.700 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.613 -3.264 1.933 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.033 -4.137 3.426 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.563 -3.136 3.364 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.472 -3.833 0.744 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.320 -3.734 2.305 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.476 -5.194 1.300 1.00 9.13 H new ATOM 92 N LYS A 6 -1.255 -5.621 5.512 1.00 6.04 N ATOM 93 CA LYS A 6 -2.097 -6.199 6.493 1.00 6.12 C ATOM 94 C LYS A 6 -3.443 -5.456 6.615 1.00 6.57 C ATOM 95 O LYS A 6 -3.477 -4.238 6.902 1.00 5.76 O ATOM 96 CB LYS A 6 -1.328 -6.324 7.858 1.00 7.45 C ATOM 97 CG LYS A 6 -0.348 -7.527 7.809 1.00 11.12 C ATOM 98 CD LYS A 6 0.233 -7.933 9.179 1.00 14.54 C ATOM 99 CE LYS A 6 1.449 -8.838 9.042 1.00 18.84 C ATOM 100 NZ LYS A 6 1.134 -10.270 8.658 1.00 20.55 N ATOM 0 H LYS A 6 -0.880 -4.706 5.762 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.360 -7.208 6.176 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.778 -5.405 8.060 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.038 -6.456 8.674 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.866 -8.384 7.379 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.475 -7.282 7.137 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.510 -7.037 9.734 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.535 -8.444 9.760 1.00 14.54 H new ATOM 0 HE2 LYS A 6 2.118 -8.414 8.293 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.991 -8.841 9.988 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.959 -10.692 8.185 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.908 -10.817 9.513 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.319 -10.285 8.012 1.00 20.55 H new ATOM 114 N THR A 7 -4.533 -6.213 6.336 1.00 7.41 N ATOM 115 CA THR A 7 -5.875 -5.661 6.477 1.00 7.48 C ATOM 116 C THR A 7 -6.499 -5.903 7.850 1.00 8.75 C ATOM 117 O THR A 7 -5.986 -6.728 8.646 1.00 8.58 O ATOM 118 CB THR A 7 -6.845 -6.132 5.366 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.322 -7.476 5.597 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.087 -6.075 4.044 1.00 9.17 C ATOM 0 H THR A 7 -4.498 -7.182 6.021 1.00 7.41 H new ATOM 0 HA THR A 7 -5.729 -4.586 6.369 1.00 7.48 H new ATOM 0 HB THR A 7 -7.720 -5.483 5.354 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.932 -7.735 4.875 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.741 -6.401 3.235 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.760 -5.052 3.856 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.218 -6.731 4.094 1.00 9.17 H new ATOM 128 N LEU A 8 -7.496 -5.102 8.235 1.00 9.84 N ATOM 129 CA LEU A 8 -8.272 -5.210 9.441 1.00 14.15 C ATOM 130 C LEU A 8 -9.036 -6.541 9.656 1.00 17.37 C ATOM 131 O LEU A 8 -9.142 -6.970 10.844 1.00 17.01 O ATOM 132 CB LEU A 8 -9.343 -4.132 9.525 1.00 16.63 C ATOM 133 CG LEU A 8 -8.864 -2.643 9.458 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.134 -1.775 9.564 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.778 -2.337 10.521 1.00 18.59 C ATOM 0 H LEU A 8 -7.791 -4.311 7.662 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.496 -5.121 10.202 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.052 -4.296 8.714 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.889 -4.270 10.458 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.359 -2.418 8.519 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.859 -0.721 9.523 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.804 -2.008 8.736 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.638 -1.982 10.508 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.473 -1.294 10.440 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.181 -2.521 11.517 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.914 -2.981 10.355 1.00 18.59 H new ATOM 147 N THR A 9 -9.602 -7.126 8.600 1.00 18.33 N ATOM 148 CA THR A 9 -10.460 -8.338 8.702 1.00 19.24 C ATOM 149 C THR A 9 -9.580 -9.642 8.613 1.00 19.48 C ATOM 150 O THR A 9 -10.081 -10.793 8.412 1.00 23.14 O ATOM 151 CB THR A 9 -11.603 -8.443 7.652 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.117 -8.060 6.363 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.592 -7.297 7.996 1.00 19.70 C ATOM 0 H THR A 9 -9.488 -6.785 7.646 1.00 18.33 H new ATOM 0 HA THR A 9 -10.946 -8.240 9.673 1.00 19.24 H new ATOM 0 HB THR A 9 -12.014 -9.452 7.657 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.841 -8.130 5.706 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.425 -7.312 7.293 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.970 -7.434 9.009 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.077 -6.339 7.928 1.00 19.70 H new ATOM 161 N GLY A 10 -8.235 -9.510 8.894 1.00 19.43 N ATOM 162 CA GLY A 10 -7.356 -10.617 9.102 1.00 18.74 C ATOM 163 C GLY A 10 -6.655 -11.216 7.850 1.00 17.62 C ATOM 164 O GLY A 10 -6.501 -12.402 7.703 1.00 19.74 O ATOM 0 H GLY A 10 -7.772 -8.604 8.973 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.583 -10.307 9.805 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.924 -11.413 9.584 1.00 18.74 H new ATOM 168 N LYS A 11 -6.188 -10.371 6.959 1.00 13.56 N ATOM 169 CA LYS A 11 -5.560 -10.873 5.692 1.00 11.91 C ATOM 170 C LYS A 11 -4.152 -10.267 5.554 1.00 10.18 C ATOM 171 O LYS A 11 -3.955 -9.103 5.819 1.00 9.10 O ATOM 172 CB LYS A 11 -6.393 -10.571 4.467 1.00 13.43 C ATOM 173 CG LYS A 11 -6.074 -11.323 3.182 1.00 16.69 C ATOM 174 CD LYS A 11 -7.022 -11.104 2.013 1.00 17.92 C ATOM 175 CE LYS A 11 -6.703 -12.177 0.959 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.672 -12.184 -0.099 1.00 21.93 N ATOM 0 H LYS A 11 -6.214 -9.356 7.054 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.496 -11.959 5.757 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.436 -10.764 4.717 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.307 -9.504 4.260 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.070 -11.043 2.864 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.051 -12.389 3.408 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.059 -11.182 2.339 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.893 -10.105 1.596 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.712 -11.996 0.544 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.676 -13.158 1.434 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.228 -12.529 -0.974 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.462 -12.809 0.158 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.029 -11.219 -0.249 1.00 21.93 H new ATOM 190 N THR A 12 -3.142 -11.062 5.006 1.00 9.63 N ATOM 191 CA THR A 12 -1.833 -10.590 4.677 1.00 9.85 C ATOM 192 C THR A 12 -1.659 -10.713 3.177 1.00 11.66 C ATOM 193 O THR A 12 -1.811 -11.783 2.661 1.00 12.33 O ATOM 194 CB THR A 12 -0.673 -11.192 5.431 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.777 -10.998 6.842 1.00 10.91 O ATOM 196 CG2 THR A 12 0.665 -10.444 5.045 1.00 9.63 C ATOM 0 H THR A 12 -3.274 -12.052 4.800 1.00 9.63 H new ATOM 0 HA THR A 12 -1.792 -9.553 5.010 1.00 9.85 H new ATOM 0 HB THR A 12 -0.678 -12.251 5.174 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.489 -11.812 7.306 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.499 -10.883 5.593 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.842 -10.544 3.974 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.579 -9.388 5.302 1.00 9.63 H new ATOM 204 N ILE A 13 -1.521 -9.590 2.478 1.00 10.42 N ATOM 205 CA ILE A 13 -1.536 -9.569 1.033 1.00 11.84 C ATOM 206 C ILE A 13 -0.093 -9.686 0.556 1.00 10.55 C ATOM 207 O ILE A 13 0.682 -8.850 0.982 1.00 11.92 O ATOM 208 CB ILE A 13 -2.116 -8.286 0.493 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.392 -7.767 1.214 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.314 -8.632 -1.064 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.049 -6.512 0.623 1.00 16.46 C ATOM 0 H ILE A 13 -1.396 -8.672 2.905 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.156 -10.392 0.677 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.463 -7.431 0.665 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.131 -8.568 1.220 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.137 -7.561 2.254 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.736 -7.768 -1.578 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.350 -8.882 -1.507 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.991 -9.480 -1.165 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.928 -6.250 1.212 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.339 -5.686 0.643 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.348 -6.708 -0.407 1.00 16.46 H new ATOM 223 N THR A 14 0.235 -10.689 -0.271 1.00 9.39 N ATOM 224 CA THR A 14 1.572 -10.789 -0.854 1.00 9.63 C ATOM 225 C THR A 14 1.695 -9.980 -2.200 1.00 11.20 C ATOM 226 O THR A 14 0.858 -10.172 -3.120 1.00 11.63 O ATOM 227 CB THR A 14 1.880 -12.241 -1.202 1.00 10.38 C ATOM 228 OG1 THR A 14 1.775 -13.042 0.009 1.00 16.30 O ATOM 229 CG2 THR A 14 3.291 -12.436 -1.719 1.00 11.66 C ATOM 0 H THR A 14 -0.404 -11.435 -0.547 1.00 9.39 H new ATOM 0 HA THR A 14 2.261 -10.387 -0.111 1.00 9.63 H new ATOM 0 HB THR A 14 1.172 -12.536 -1.977 1.00 10.38 H new ATOM 0 HG1 THR A 14 1.969 -13.979 -0.201 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.452 -13.489 -1.950 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.433 -11.841 -2.621 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.004 -12.118 -0.958 1.00 11.66 H new ATOM 237 N LEU A 15 2.798 -9.190 -2.367 1.00 8.29 N ATOM 238 CA LEU A 15 3.048 -8.297 -3.405 1.00 9.03 C ATOM 239 C LEU A 15 4.441 -8.614 -3.977 1.00 8.59 C ATOM 240 O LEU A 15 5.328 -9.046 -3.281 1.00 7.79 O ATOM 241 CB LEU A 15 3.228 -6.825 -2.796 1.00 11.08 C ATOM 242 CG LEU A 15 2.016 -5.864 -2.586 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.373 -5.464 -3.920 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.938 -6.398 -1.623 1.00 15.27 C ATOM 0 H LEU A 15 3.563 -9.207 -1.692 1.00 8.29 H new ATOM 0 HA LEU A 15 2.239 -8.365 -4.133 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.708 -6.943 -1.824 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.936 -6.303 -3.440 1.00 11.08 H new ATOM 0 HG LEU A 15 2.446 -4.983 -2.110 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.533 -4.795 -3.733 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.110 -4.956 -4.541 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.018 -6.357 -4.435 1.00 15.88 H new ATOM 0 HD21 LEU A 15 0.134 -5.667 -1.536 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.537 -7.335 -2.010 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.380 -6.570 -0.642 1.00 15.27 H new ATOM 256 N GLU A 16 4.657 -8.265 -5.287 1.00 11.04 N ATOM 257 CA GLU A 16 5.945 -8.313 -5.929 1.00 11.50 C ATOM 258 C GLU A 16 6.255 -6.916 -6.505 1.00 10.13 C ATOM 259 O GLU A 16 5.717 -6.467 -7.511 1.00 9.83 O ATOM 260 CB GLU A 16 5.993 -9.339 -7.162 1.00 17.22 C ATOM 261 CG GLU A 16 7.376 -9.483 -7.863 1.00 23.33 C ATOM 262 CD GLU A 16 8.524 -9.620 -6.906 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.448 -10.574 -6.037 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.442 -8.767 -6.973 1.00 28.86 O ATOM 0 H GLU A 16 3.910 -7.944 -5.903 1.00 11.04 H new ATOM 0 HA GLU A 16 6.663 -8.637 -5.176 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.682 -10.321 -6.807 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.261 -9.022 -7.904 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.353 -10.355 -8.517 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.545 -8.613 -8.497 1.00 23.33 H new ATOM 271 N VAL A 17 7.219 -6.267 -5.884 1.00 8.99 N ATOM 272 CA VAL A 17 7.553 -4.869 -6.154 1.00 8.85 C ATOM 273 C VAL A 17 9.075 -4.652 -6.179 1.00 8.04 C ATOM 274 O VAL A 17 9.832 -5.471 -5.707 1.00 8.99 O ATOM 275 CB VAL A 17 6.962 -4.026 -5.077 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.383 -4.108 -5.055 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.515 -4.370 -3.716 1.00 10.54 C ATOM 0 H VAL A 17 7.805 -6.695 -5.167 1.00 8.99 H new ATOM 0 HA VAL A 17 7.153 -4.596 -7.131 1.00 8.85 H new ATOM 0 HB VAL A 17 7.247 -3.000 -5.311 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.997 -3.478 -4.254 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.987 -3.763 -6.010 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.075 -5.140 -4.885 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.055 -3.730 -2.964 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.296 -5.413 -3.487 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.594 -4.216 -3.712 1.00 10.54 H new ATOM 287 N GLU A 18 9.495 -3.537 -6.686 1.00 7.29 N ATOM 288 CA GLU A 18 10.881 -3.131 -6.631 1.00 7.08 C ATOM 289 C GLU A 18 10.989 -1.973 -5.637 1.00 6.45 C ATOM 290 O GLU A 18 9.977 -1.314 -5.427 1.00 5.28 O ATOM 291 CB GLU A 18 11.411 -2.662 -8.020 1.00 10.28 C ATOM 292 CG GLU A 18 11.485 -3.805 -9.111 1.00 12.65 C ATOM 293 CD GLU A 18 12.277 -5.040 -8.789 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.469 -4.879 -8.316 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.740 -6.201 -8.968 1.00 14.33 O ATOM 0 H GLU A 18 8.886 -2.868 -7.157 1.00 7.29 H new ATOM 0 HA GLU A 18 11.484 -3.985 -6.324 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.767 -1.864 -8.390 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.406 -2.235 -7.891 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.465 -4.113 -9.341 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.899 -3.371 -10.021 1.00 12.65 H new ATOM 302 N PRO A 19 12.142 -1.679 -5.071 1.00 7.24 N ATOM 303 CA PRO A 19 12.304 -0.618 -4.102 1.00 7.07 C ATOM 304 C PRO A 19 11.904 0.788 -4.675 1.00 6.65 C ATOM 305 O PRO A 19 11.510 1.670 -3.934 1.00 6.37 O ATOM 306 CB PRO A 19 13.778 -0.662 -3.644 1.00 7.61 C ATOM 307 CG PRO A 19 14.337 -2.065 -4.060 1.00 8.16 C ATOM 308 CD PRO A 19 13.446 -2.393 -5.237 1.00 7.49 C ATOM 0 HA PRO A 19 11.632 -0.770 -3.258 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.353 0.138 -4.112 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.853 -0.520 -2.566 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.390 -2.023 -4.339 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.248 -2.798 -3.259 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.925 -2.091 -6.168 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.282 -3.469 -5.297 1.00 7.49 H new ATOM 316 N SER A 20 12.010 1.009 -5.983 1.00 6.80 N ATOM 317 CA SER A 20 11.644 2.241 -6.675 1.00 6.28 C ATOM 318 C SER A 20 10.220 2.374 -7.201 1.00 8.45 C ATOM 319 O SER A 20 9.917 3.463 -7.726 1.00 7.26 O ATOM 320 CB SER A 20 12.650 2.475 -7.793 1.00 8.57 C ATOM 321 OG SER A 20 12.659 1.261 -8.552 1.00 11.13 O ATOM 0 H SER A 20 12.371 0.299 -6.620 1.00 6.80 H new ATOM 0 HA SER A 20 11.673 3.010 -5.903 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.360 3.324 -8.412 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.639 2.696 -7.392 1.00 8.57 H new ATOM 0 HG SER A 20 13.291 1.345 -9.296 1.00 11.13 H new ATOM 327 N ASP A 21 9.305 1.309 -7.180 1.00 7.50 N ATOM 328 CA ASP A 21 7.892 1.514 -7.593 1.00 7.70 C ATOM 329 C ASP A 21 7.300 2.446 -6.652 1.00 7.08 C ATOM 330 O ASP A 21 7.545 2.634 -5.453 1.00 8.11 O ATOM 331 CB ASP A 21 7.208 0.128 -7.503 1.00 11.00 C ATOM 332 CG ASP A 21 7.719 -0.722 -8.584 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.094 -0.221 -9.707 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.892 -1.988 -8.391 1.00 18.03 O ATOM 0 H ASP A 21 9.534 0.358 -6.892 1.00 7.50 H new ATOM 0 HA ASP A 21 7.789 1.914 -8.602 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.410 -0.330 -6.535 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.126 0.235 -7.586 1.00 11.00 H new ATOM 339 N THR A 22 6.385 3.287 -7.200 1.00 5.37 N ATOM 340 CA THR A 22 5.563 4.279 -6.486 1.00 6.01 C ATOM 341 C THR A 22 4.468 3.666 -5.623 1.00 8.01 C ATOM 342 O THR A 22 3.867 2.637 -6.032 1.00 8.11 O ATOM 343 CB THR A 22 4.954 5.398 -7.320 1.00 8.92 C ATOM 344 OG1 THR A 22 3.950 4.927 -8.268 1.00 10.22 O ATOM 345 CG2 THR A 22 6.039 6.259 -8.033 1.00 9.65 C ATOM 0 H THR A 22 6.197 3.286 -8.202 1.00 5.37 H new ATOM 0 HA THR A 22 6.322 4.741 -5.855 1.00 6.01 H new ATOM 0 HB THR A 22 4.435 6.040 -6.608 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.594 5.688 -8.773 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.556 7.044 -8.615 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.693 6.711 -7.287 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.628 5.626 -8.696 1.00 9.65 H new ATOM 353 N ILE A 23 4.042 4.350 -4.547 1.00 8.32 N ATOM 354 CA ILE A 23 3.097 3.792 -3.626 1.00 9.92 C ATOM 355 C ILE A 23 1.767 3.551 -4.330 1.00 10.01 C ATOM 356 O ILE A 23 0.989 2.606 -4.016 1.00 8.71 O ATOM 357 CB ILE A 23 2.948 4.752 -2.519 1.00 10.78 C ATOM 358 CG1 ILE A 23 4.228 4.813 -1.581 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.659 4.525 -1.712 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.476 3.519 -0.860 1.00 12.30 C ATOM 0 H ILE A 23 4.352 5.293 -4.313 1.00 8.32 H new ATOM 0 HA ILE A 23 3.439 2.831 -3.242 1.00 9.92 H new ATOM 0 HB ILE A 23 2.859 5.732 -2.988 1.00 10.78 H new ATOM 0 HG12 ILE A 23 5.103 5.064 -2.181 1.00 11.38 H new ATOM 0 HG13 ILE A 23 4.102 5.613 -0.852 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.599 5.259 -0.909 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.795 4.633 -2.368 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.668 3.522 -1.286 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.362 3.616 -0.233 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.615 3.279 -0.236 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.631 2.722 -1.587 1.00 12.30 H new ATOM 372 N GLU A 24 1.490 4.406 -5.350 1.00 9.54 N ATOM 373 CA GLU A 24 0.312 4.308 -6.226 1.00 11.81 C ATOM 374 C GLU A 24 0.231 2.991 -6.961 1.00 11.14 C ATOM 375 O GLU A 24 -0.725 2.244 -7.067 1.00 10.62 O ATOM 376 CB GLU A 24 0.257 5.437 -7.245 1.00 19.24 C ATOM 377 CG GLU A 24 -0.988 5.341 -8.223 1.00 27.76 C ATOM 378 CD GLU A 24 -0.958 6.552 -9.210 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.204 7.671 -8.717 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.754 6.334 -10.452 1.00 34.80 O ATOM 0 H GLU A 24 2.095 5.193 -5.583 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.542 4.384 -5.553 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.224 6.391 -6.718 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.174 5.430 -7.834 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.959 4.403 -8.778 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.916 5.345 -7.652 1.00 27.76 H new ATOM 387 N ASN A 25 1.418 2.628 -7.527 1.00 9.43 N ATOM 388 CA ASN A 25 1.622 1.380 -8.222 1.00 10.96 C ATOM 389 C ASN A 25 1.392 0.154 -7.367 1.00 9.68 C ATOM 390 O ASN A 25 0.888 -0.853 -7.853 1.00 9.33 O ATOM 391 CB ASN A 25 3.033 1.433 -8.696 1.00 16.78 C ATOM 392 CG ASN A 25 3.357 0.366 -9.756 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.412 -0.267 -9.639 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.588 0.274 -10.872 1.00 24.70 N ATOM 0 H ASN A 25 2.250 3.218 -7.498 1.00 9.43 H new ATOM 0 HA ASN A 25 0.897 1.280 -9.030 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.233 2.421 -9.111 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.701 1.304 -7.844 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.877 -0.330 -11.642 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.722 0.809 -10.940 1.00 24.70 H new ATOM 401 N VAL A 26 1.854 0.164 -6.081 1.00 6.52 N ATOM 402 CA VAL A 26 1.645 -0.874 -5.108 1.00 5.53 C ATOM 403 C VAL A 26 0.092 -1.089 -4.865 1.00 4.42 C ATOM 404 O VAL A 26 -0.348 -2.240 -4.929 1.00 3.40 O ATOM 405 CB VAL A 26 2.443 -0.576 -3.785 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.196 -1.736 -2.777 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.959 -0.305 -4.043 1.00 8.12 C ATOM 0 H VAL A 26 2.401 0.942 -5.711 1.00 6.52 H new ATOM 0 HA VAL A 26 2.041 -1.814 -5.493 1.00 5.53 H new ATOM 0 HB VAL A 26 2.071 0.351 -3.348 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.744 -1.540 -1.856 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.131 -1.806 -2.557 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.540 -2.675 -3.211 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.459 -0.106 -3.095 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.410 -1.178 -4.515 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.068 0.558 -4.699 1.00 8.12 H new ATOM 417 N LYS A 27 -0.726 -0.001 -4.712 1.00 2.64 N ATOM 418 CA LYS A 27 -2.185 -0.060 -4.682 1.00 4.14 C ATOM 419 C LYS A 27 -2.870 -0.572 -5.972 1.00 5.58 C ATOM 420 O LYS A 27 -3.853 -1.292 -5.921 1.00 4.11 O ATOM 421 CB LYS A 27 -2.784 1.304 -4.243 1.00 3.97 C ATOM 422 CG LYS A 27 -2.351 1.817 -2.854 1.00 7.45 C ATOM 423 CD LYS A 27 -3.036 3.105 -2.407 1.00 9.02 C ATOM 424 CE LYS A 27 -2.712 4.324 -3.239 1.00 12.90 C ATOM 425 NZ LYS A 27 -2.957 5.557 -2.454 1.00 15.47 N ATOM 0 H LYS A 27 -0.363 0.946 -4.606 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.407 -0.825 -3.938 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.512 2.054 -4.986 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.871 1.222 -4.256 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.552 1.040 -2.116 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.273 1.979 -2.861 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.115 2.949 -2.423 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.758 3.306 -1.372 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.671 4.289 -3.560 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.323 4.331 -4.141 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.667 6.386 -3.011 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.969 5.629 -2.227 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -2.406 5.522 -1.572 1.00 15.47 H new ATOM 439 N ALA A 28 -2.323 -0.269 -7.199 1.00 6.61 N ATOM 440 CA ALA A 28 -2.769 -0.784 -8.477 1.00 7.74 C ATOM 441 C ALA A 28 -2.443 -2.284 -8.598 1.00 9.17 C ATOM 442 O ALA A 28 -3.155 -3.078 -9.170 1.00 11.45 O ATOM 443 CB ALA A 28 -2.027 0.110 -9.553 1.00 7.68 C ATOM 0 H ALA A 28 -1.531 0.367 -7.291 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.849 -0.725 -8.613 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.310 -0.215 -10.554 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.310 1.154 -9.417 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.949 0.008 -9.430 1.00 7.68 H new ATOM 449 N LYS A 29 -1.396 -2.729 -7.885 1.00 8.96 N ATOM 450 CA LYS A 29 -1.139 -4.138 -7.808 1.00 7.90 C ATOM 451 C LYS A 29 -2.103 -4.875 -6.869 1.00 6.92 C ATOM 452 O LYS A 29 -2.581 -5.978 -7.111 1.00 6.87 O ATOM 453 CB LYS A 29 0.359 -4.401 -7.387 1.00 10.28 C ATOM 454 CG LYS A 29 1.421 -4.094 -8.451 1.00 14.94 C ATOM 455 CD LYS A 29 2.855 -4.019 -7.795 1.00 19.69 C ATOM 456 CE LYS A 29 3.987 -3.539 -8.732 1.00 22.63 C ATOM 457 NZ LYS A 29 4.621 -4.679 -9.368 1.00 24.98 N ATOM 0 H LYS A 29 -0.742 -2.136 -7.374 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.310 -4.543 -8.805 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.577 -3.803 -6.502 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.456 -5.447 -7.097 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.407 -4.866 -9.221 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.189 -3.149 -8.942 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.809 -3.350 -6.936 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.115 -5.007 -7.415 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.583 -2.867 -9.490 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.725 -2.972 -8.164 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.381 -4.348 -9.996 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 5.022 -5.304 -8.640 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.916 -5.203 -9.924 1.00 24.98 H new ATOM 471 N ILE A 30 -2.483 -4.221 -5.761 1.00 4.57 N ATOM 472 CA ILE A 30 -3.448 -4.752 -4.801 1.00 5.58 C ATOM 473 C ILE A 30 -4.788 -4.887 -5.524 1.00 7.26 C ATOM 474 O ILE A 30 -5.544 -5.848 -5.327 1.00 9.46 O ATOM 475 CB ILE A 30 -3.612 -3.886 -3.520 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.389 -4.159 -2.705 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.846 -4.344 -2.688 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.100 -3.074 -1.665 1.00 2.00 C ATOM 0 H ILE A 30 -2.123 -3.301 -5.509 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.076 -5.714 -4.447 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.745 -2.836 -3.780 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.505 -5.117 -2.198 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.531 -4.253 -3.370 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.936 -3.721 -1.798 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.748 -4.247 -3.292 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.718 -5.385 -2.391 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.200 -3.334 -1.108 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.952 -2.118 -2.168 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.942 -2.996 -0.977 1.00 2.00 H new ATOM 490 N GLN A 31 -5.205 -3.912 -6.389 1.00 7.06 N ATOM 491 CA GLN A 31 -6.478 -3.836 -7.159 1.00 8.67 C ATOM 492 C GLN A 31 -6.669 -5.072 -8.045 1.00 10.90 C ATOM 493 O GLN A 31 -7.671 -5.804 -8.031 1.00 9.63 O ATOM 494 CB GLN A 31 -6.551 -2.567 -8.063 1.00 9.12 C ATOM 495 CG GLN A 31 -7.805 -2.574 -9.027 1.00 10.76 C ATOM 496 CD GLN A 31 -7.603 -1.530 -10.151 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.445 -1.301 -10.522 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.674 -0.999 -10.652 1.00 14.76 N ATOM 0 H GLN A 31 -4.614 -3.102 -6.576 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.272 -3.785 -6.414 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.588 -1.679 -7.432 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.641 -2.498 -8.659 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.939 -3.566 -9.458 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.710 -2.346 -8.464 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.590 -1.250 -10.279 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.601 -0.330 -11.419 1.00 14.76 H new ATOM 507 N ASP A 32 -5.589 -5.484 -8.687 1.00 10.93 N ATOM 508 CA ASP A 32 -5.391 -6.717 -9.418 1.00 14.01 C ATOM 509 C ASP A 32 -5.709 -7.990 -8.611 1.00 14.04 C ATOM 510 O ASP A 32 -6.387 -8.875 -9.077 1.00 13.39 O ATOM 511 CB ASP A 32 -3.942 -6.814 -10.020 1.00 18.01 C ATOM 512 CG ASP A 32 -3.948 -7.669 -11.295 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.850 -7.516 -12.105 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.865 -8.299 -11.634 1.00 26.29 O ATOM 0 H ASP A 32 -4.750 -4.905 -8.709 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.117 -6.672 -10.229 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.568 -5.816 -10.246 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.265 -7.250 -9.286 1.00 18.01 H new ATOM 519 N LYS A 33 -5.158 -8.127 -7.367 1.00 14.22 N ATOM 520 CA LYS A 33 -5.298 -9.290 -6.490 1.00 14.00 C ATOM 521 C LYS A 33 -6.631 -9.255 -5.691 1.00 12.37 C ATOM 522 O LYS A 33 -7.343 -10.258 -5.646 1.00 12.17 O ATOM 523 CB LYS A 33 -4.002 -9.348 -5.589 1.00 18.62 C ATOM 524 CG LYS A 33 -3.971 -10.621 -4.839 1.00 24.00 C ATOM 525 CD LYS A 33 -2.582 -10.999 -4.356 1.00 27.61 C ATOM 526 CE LYS A 33 -1.628 -11.620 -5.385 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.331 -11.990 -4.773 1.00 30.06 N ATOM 0 H LYS A 33 -4.586 -7.393 -6.950 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.367 -10.214 -7.064 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.111 -9.260 -6.211 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.992 -8.507 -4.896 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.639 -10.546 -3.981 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.357 -11.418 -5.474 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.109 -10.103 -3.954 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.691 -11.701 -3.529 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -2.090 -12.505 -5.823 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.459 -10.914 -6.198 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.411 -11.983 -5.501 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.091 -11.306 -4.027 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.401 -12.942 -4.360 1.00 30.06 H new ATOM 541 N GLU A 34 -7.024 -8.153 -4.988 1.00 10.11 N ATOM 542 CA GLU A 34 -8.109 -8.135 -4.057 1.00 10.07 C ATOM 543 C GLU A 34 -9.443 -7.612 -4.596 1.00 9.32 C ATOM 544 O GLU A 34 -10.501 -7.599 -3.936 1.00 11.61 O ATOM 545 CB GLU A 34 -7.819 -7.270 -2.818 1.00 14.77 C ATOM 546 CG GLU A 34 -6.698 -7.849 -1.940 1.00 18.75 C ATOM 547 CD GLU A 34 -6.992 -9.224 -1.400 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.139 -9.460 -0.837 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.202 -10.110 -1.607 1.00 25.19 O ATOM 0 H GLU A 34 -6.561 -7.249 -5.081 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.199 -9.195 -3.821 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.542 -6.265 -3.138 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.728 -7.176 -2.224 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.777 -7.888 -2.522 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.518 -7.172 -1.105 1.00 18.75 H new ATOM 556 N GLY A 35 -9.459 -7.049 -5.821 1.00 7.22 N ATOM 557 CA GLY A 35 -10.602 -6.422 -6.376 1.00 6.29 C ATOM 558 C GLY A 35 -10.871 -4.995 -5.905 1.00 6.93 C ATOM 559 O GLY A 35 -11.928 -4.501 -6.158 1.00 7.41 O ATOM 0 H GLY A 35 -8.646 -7.035 -6.437 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.497 -6.413 -7.461 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.476 -7.032 -6.145 1.00 6.29 H new ATOM 563 N ILE A 36 -9.889 -4.376 -5.191 1.00 5.86 N ATOM 564 CA ILE A 36 -10.159 -3.130 -4.469 1.00 6.07 C ATOM 565 C ILE A 36 -9.679 -1.994 -5.334 1.00 6.36 C ATOM 566 O ILE A 36 -8.493 -1.933 -5.559 1.00 6.18 O ATOM 567 CB ILE A 36 -9.622 -3.090 -3.069 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.237 -4.276 -2.280 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.109 -1.735 -2.391 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.491 -4.525 -0.934 1.00 9.49 C ATOM 0 H ILE A 36 -8.932 -4.720 -5.109 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.233 -3.043 -4.302 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.534 -3.152 -3.070 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.289 -4.073 -2.080 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.197 -5.178 -2.890 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.731 -1.682 -1.370 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.732 -0.886 -2.962 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.199 -1.707 -2.376 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.952 -5.363 -0.412 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.444 -4.754 -1.135 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.554 -3.632 -0.312 1.00 9.49 H new ATOM 582 N PRO A 37 -10.478 -1.132 -5.869 1.00 8.65 N ATOM 583 CA PRO A 37 -9.935 0.012 -6.580 1.00 9.18 C ATOM 584 C PRO A 37 -8.825 0.827 -5.896 1.00 9.85 C ATOM 585 O PRO A 37 -8.964 1.105 -4.682 1.00 8.51 O ATOM 586 CB PRO A 37 -11.184 0.922 -6.766 1.00 11.42 C ATOM 587 CG PRO A 37 -12.329 -0.037 -6.866 1.00 9.27 C ATOM 588 CD PRO A 37 -11.918 -1.156 -5.889 1.00 8.33 C ATOM 0 HA PRO A 37 -9.434 -0.348 -7.478 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.308 1.604 -5.925 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.099 1.535 -7.663 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.272 0.427 -6.577 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.456 -0.412 -7.882 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.328 -0.980 -4.895 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.291 -2.125 -6.221 1.00 8.33 H new ATOM 596 N PRO A 38 -7.775 1.331 -6.529 1.00 8.71 N ATOM 597 CA PRO A 38 -6.661 2.036 -5.835 1.00 9.08 C ATOM 598 C PRO A 38 -7.010 3.323 -5.116 1.00 9.28 C ATOM 599 O PRO A 38 -6.169 3.666 -4.270 1.00 6.50 O ATOM 600 CB PRO A 38 -5.686 2.230 -7.001 1.00 10.31 C ATOM 601 CG PRO A 38 -6.519 2.346 -8.292 1.00 10.81 C ATOM 602 CD PRO A 38 -7.617 1.321 -7.998 1.00 12.00 C ATOM 0 HA PRO A 38 -6.276 1.469 -4.987 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.085 3.127 -6.852 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.995 1.390 -7.066 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.916 3.350 -8.442 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.943 2.095 -9.183 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.549 1.589 -8.496 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.337 0.331 -8.357 1.00 12.00 H new ATOM 610 N ASP A 39 -8.163 3.983 -5.370 1.00 11.20 N ATOM 611 CA ASP A 39 -8.515 5.223 -4.614 1.00 14.96 C ATOM 612 C ASP A 39 -9.475 4.953 -3.387 1.00 13.99 C ATOM 613 O ASP A 39 -9.832 5.856 -2.619 1.00 13.75 O ATOM 614 CB ASP A 39 -9.135 6.343 -5.496 1.00 24.16 C ATOM 615 CG ASP A 39 -8.319 6.486 -6.724 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.163 6.964 -6.660 1.00 34.22 O ATOM 617 OD2 ASP A 39 -8.800 6.277 -7.811 1.00 35.55 O ATOM 0 H ASP A 39 -8.850 3.696 -6.067 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.552 5.573 -4.242 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.165 6.095 -5.753 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.161 7.285 -4.948 1.00 24.16 H new ATOM 622 N GLN A 40 -9.846 3.702 -3.160 1.00 11.60 N ATOM 623 CA GLN A 40 -10.493 3.296 -1.918 1.00 10.76 C ATOM 624 C GLN A 40 -9.567 2.692 -0.930 1.00 8.01 C ATOM 625 O GLN A 40 -9.906 2.359 0.244 1.00 8.96 O ATOM 626 CB GLN A 40 -11.572 2.212 -2.270 1.00 11.14 C ATOM 627 CG GLN A 40 -12.617 2.002 -1.132 1.00 14.85 C ATOM 628 CD GLN A 40 -13.283 0.640 -1.315 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.202 -0.234 -0.449 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.942 0.441 -2.496 1.00 18.16 N ATOM 0 H GLN A 40 -9.709 2.942 -3.826 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.911 4.196 -1.468 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.091 2.506 -3.182 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.074 1.265 -2.478 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.130 2.055 -0.159 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.366 2.794 -1.157 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.987 1.190 -3.187 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.389 -0.456 -2.686 1.00 18.16 H new ATOM 639 N GLN A 41 -8.322 2.545 -1.352 1.00 6.52 N ATOM 640 CA GLN A 41 -7.306 1.917 -0.499 1.00 3.87 C ATOM 641 C GLN A 41 -6.537 3.038 0.208 1.00 4.79 C ATOM 642 O GLN A 41 -5.974 3.870 -0.466 1.00 6.34 O ATOM 643 CB GLN A 41 -6.273 1.069 -1.319 1.00 4.20 C ATOM 644 CG GLN A 41 -6.912 -0.019 -2.147 1.00 3.20 C ATOM 645 CD GLN A 41 -5.822 -0.668 -3.028 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.643 -0.785 -2.703 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.252 -1.145 -4.191 1.00 7.13 N ATOM 0 H GLN A 41 -7.986 2.845 -2.267 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.813 1.248 0.196 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.710 1.732 -1.976 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.557 0.619 -0.632 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.371 -0.767 -1.500 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.705 0.395 -2.769 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.233 -1.043 -4.453 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.602 -1.613 -4.822 1.00 7.13 H new ATOM 656 N ARG A 42 -6.446 3.106 1.564 1.00 5.73 N ATOM 657 CA ARG A 42 -5.542 4.010 2.248 1.00 6.97 C ATOM 658 C ARG A 42 -4.382 3.087 2.728 1.00 7.15 C ATOM 659 O ARG A 42 -4.535 1.896 3.023 1.00 7.33 O ATOM 660 CB ARG A 42 -6.191 4.698 3.413 1.00 13.23 C ATOM 661 CG ARG A 42 -7.396 5.621 2.935 1.00 21.27 C ATOM 662 CD ARG A 42 -7.787 6.560 4.068 1.00 26.14 C ATOM 663 NE ARG A 42 -8.417 7.803 3.415 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.485 8.431 3.901 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.390 7.810 4.637 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.737 9.677 3.432 1.00 36.39 N ATOM 0 H ARG A 42 -7.005 2.529 2.192 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.210 4.817 1.595 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.557 3.954 4.121 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.453 5.303 3.940 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -7.104 6.195 2.056 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.248 5.006 2.646 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.493 6.078 4.744 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.915 6.835 4.661 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.992 8.166 2.562 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -10.282 6.818 4.849 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.197 8.323 4.993 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.119 10.094 2.736 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.544 10.197 3.775 1.00 36.39 H new ATOM 680 N LEU A 43 -3.131 3.570 2.828 1.00 4.65 N ATOM 681 CA LEU A 43 -1.991 2.720 3.152 1.00 3.51 C ATOM 682 C LEU A 43 -1.267 3.517 4.290 1.00 5.56 C ATOM 683 O LEU A 43 -1.007 4.720 4.090 1.00 4.19 O ATOM 684 CB LEU A 43 -0.953 2.483 1.997 1.00 3.74 C ATOM 685 CG LEU A 43 -1.373 1.406 0.973 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.352 1.329 -0.220 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.491 0.025 1.640 1.00 6.41 C ATOM 0 H LEU A 43 -2.892 4.551 2.687 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.353 1.722 3.397 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.792 3.424 1.471 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.002 2.196 2.437 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.349 1.694 0.583 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.673 0.562 -0.925 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.311 2.293 -0.726 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.637 1.078 0.163 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.788 -0.714 0.896 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.528 -0.256 2.067 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.240 0.066 2.430 1.00 6.41 H new ATOM 699 N ILE A 44 -0.926 2.824 5.409 1.00 4.58 N ATOM 700 CA ILE A 44 -0.246 3.384 6.551 1.00 5.55 C ATOM 701 C ILE A 44 0.965 2.536 6.846 1.00 5.46 C ATOM 702 O ILE A 44 0.972 1.277 6.969 1.00 6.04 O ATOM 703 CB ILE A 44 -1.229 3.604 7.729 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.293 4.650 7.400 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.440 4.072 8.913 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.682 4.122 7.044 1.00 13.90 C ATOM 0 H ILE A 44 -1.134 1.832 5.519 1.00 4.58 H new ATOM 0 HA ILE A 44 0.129 4.387 6.348 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.740 2.663 7.932 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.391 5.318 8.256 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.933 5.252 6.566 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.111 4.234 9.756 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.300 3.317 9.178 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.066 5.006 8.667 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.346 4.960 6.831 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.613 3.481 6.165 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -4.079 3.548 7.881 1.00 13.90 H new ATOM 718 N PHE A 45 2.113 3.287 7.029 1.00 6.75 N ATOM 719 CA PHE A 45 3.386 2.631 7.393 1.00 4.70 C ATOM 720 C PHE A 45 4.116 3.680 8.217 1.00 6.34 C ATOM 721 O PHE A 45 3.977 4.914 7.931 1.00 5.45 O ATOM 722 CB PHE A 45 4.262 2.136 6.198 1.00 5.51 C ATOM 723 CG PHE A 45 5.682 1.578 6.683 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.762 0.557 7.689 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.852 2.270 6.352 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.981 0.208 8.249 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.091 1.917 6.861 1.00 6.64 C ATOM 728 CZ PHE A 45 8.137 0.824 7.760 1.00 6.84 C ATOM 0 H PHE A 45 2.163 4.301 6.931 1.00 6.75 H new ATOM 0 HA PHE A 45 3.182 1.703 7.926 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.730 1.352 5.659 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.416 2.957 5.497 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.862 0.055 8.013 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.787 3.109 5.676 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.036 -0.522 9.043 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.986 2.454 6.583 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.100 0.453 8.079 1.00 6.84 H new ATOM 738 N ALA A 46 4.849 3.234 9.313 1.00 6.53 N ATOM 739 CA ALA A 46 5.479 4.120 10.345 1.00 7.15 C ATOM 740 C ALA A 46 4.466 5.133 11.061 1.00 9.00 C ATOM 741 O ALA A 46 4.868 6.232 11.466 1.00 11.15 O ATOM 742 CB ALA A 46 6.755 4.725 9.783 1.00 8.99 C ATOM 0 H ALA A 46 5.011 2.243 9.492 1.00 6.53 H new ATOM 0 HA ALA A 46 5.776 3.508 11.196 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.213 5.369 10.533 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.449 3.928 9.516 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.519 5.312 8.896 1.00 8.99 H new ATOM 748 N GLY A 47 3.158 4.788 11.121 1.00 9.35 N ATOM 749 CA GLY A 47 2.065 5.674 11.621 1.00 11.68 C ATOM 750 C GLY A 47 1.646 6.707 10.672 1.00 11.14 C ATOM 751 O GLY A 47 0.806 7.539 10.934 1.00 13.93 O ATOM 0 H GLY A 47 2.821 3.873 10.820 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.202 5.059 11.875 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.395 6.155 12.542 1.00 11.68 H new ATOM 755 N LYS A 48 2.287 6.678 9.448 1.00 10.47 N ATOM 756 CA LYS A 48 2.124 7.691 8.439 1.00 8.82 C ATOM 757 C LYS A 48 1.317 7.238 7.256 1.00 7.68 C ATOM 758 O LYS A 48 1.478 6.077 6.842 1.00 6.47 O ATOM 759 CB LYS A 48 3.413 8.167 7.879 1.00 9.74 C ATOM 760 CG LYS A 48 4.445 8.527 8.977 1.00 14.14 C ATOM 761 CD LYS A 48 5.680 9.365 8.474 1.00 16.32 C ATOM 762 CE LYS A 48 6.557 9.668 9.625 1.00 20.04 C ATOM 763 NZ LYS A 48 7.771 10.369 9.191 1.00 23.92 N ATOM 0 H LYS A 48 2.925 5.931 9.174 1.00 10.47 H new ATOM 0 HA LYS A 48 1.608 8.486 8.977 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.831 7.395 7.232 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.232 9.042 7.255 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.938 9.089 9.762 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.810 7.605 9.429 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.231 8.806 7.718 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.342 10.289 8.005 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.017 10.281 10.347 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.829 8.743 10.133 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.370 10.570 10.017 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.296 9.772 8.520 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.509 11.262 8.727 1.00 23.92 H new ATOM 777 N GLN A 49 0.415 8.162 6.674 1.00 8.89 N ATOM 778 CA GLN A 49 -0.305 7.972 5.399 1.00 7.18 C ATOM 779 C GLN A 49 0.754 8.086 4.344 1.00 8.23 C ATOM 780 O GLN A 49 1.747 8.814 4.484 1.00 9.70 O ATOM 781 CB GLN A 49 -1.381 9.047 5.148 1.00 11.67 C ATOM 782 CG GLN A 49 -2.425 9.206 6.274 1.00 15.82 C ATOM 783 CD GLN A 49 -3.517 10.230 5.909 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.465 9.893 5.223 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.292 11.484 6.284 1.00 20.67 N ATOM 0 H GLN A 49 0.196 9.054 7.117 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.830 7.017 5.402 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.885 10.006 4.996 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.903 8.807 4.222 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.887 8.240 6.478 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.925 9.520 7.190 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.480 11.706 6.860 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.931 12.225 5.996 1.00 20.67 H new ATOM 794 N LEU A 50 0.681 7.376 3.246 1.00 6.51 N ATOM 795 CA LEU A 50 1.776 7.384 2.273 1.00 7.41 C ATOM 796 C LEU A 50 1.229 7.939 0.999 1.00 8.27 C ATOM 797 O LEU A 50 0.145 7.655 0.555 1.00 8.34 O ATOM 798 CB LEU A 50 2.341 5.902 1.989 1.00 7.13 C ATOM 799 CG LEU A 50 2.628 4.959 3.140 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.013 3.545 2.611 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.707 5.531 4.078 1.00 9.11 C ATOM 0 H LEU A 50 -0.112 6.786 2.993 1.00 6.51 H new ATOM 0 HA LEU A 50 2.599 7.981 2.667 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.626 5.404 1.335 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.267 6.012 1.424 1.00 7.13 H new ATOM 0 HG LEU A 50 1.717 4.855 3.729 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.215 2.884 3.454 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.190 3.141 2.022 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.904 3.620 1.987 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.889 4.830 4.893 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.630 5.686 3.519 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.367 6.482 4.487 1.00 9.11 H new ATOM 813 N GLU A 51 2.046 8.776 0.329 1.00 9.43 N ATOM 814 CA GLU A 51 1.677 9.560 -0.773 1.00 11.90 C ATOM 815 C GLU A 51 1.928 8.820 -2.086 1.00 11.49 C ATOM 816 O GLU A 51 2.889 8.098 -2.226 1.00 9.88 O ATOM 817 CB GLU A 51 2.370 10.922 -0.842 1.00 16.56 C ATOM 818 CG GLU A 51 2.131 11.710 0.499 1.00 26.06 C ATOM 819 CD GLU A 51 0.636 12.032 0.739 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.012 12.658 -0.166 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.093 11.649 1.805 1.00 33.44 O ATOM 0 H GLU A 51 3.025 8.900 0.589 1.00 9.43 H new ATOM 0 HA GLU A 51 0.612 9.745 -0.630 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.439 10.788 -1.011 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.983 11.495 -1.685 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.511 11.123 1.335 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.700 12.639 0.477 1.00 26.06 H new ATOM 828 N ASP A 52 1.051 8.963 -3.065 1.00 12.71 N ATOM 829 CA ASP A 52 0.985 8.171 -4.277 1.00 16.56 C ATOM 830 C ASP A 52 2.277 8.242 -5.117 1.00 15.83 C ATOM 831 O ASP A 52 2.750 7.167 -5.501 1.00 17.21 O ATOM 832 CB ASP A 52 -0.206 8.773 -5.153 1.00 21.05 C ATOM 833 CG ASP A 52 -1.458 8.730 -4.324 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.121 7.658 -4.170 1.00 25.82 O ATOM 835 OD2 ASP A 52 -1.860 9.842 -3.828 1.00 28.37 O ATOM 0 H ASP A 52 0.324 9.678 -3.031 1.00 12.71 H new ATOM 0 HA ASP A 52 0.838 7.127 -4.000 1.00 16.56 H new ATOM 0 HB2 ASP A 52 0.019 9.797 -5.450 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.335 8.196 -6.069 1.00 21.05 H new ATOM 840 N GLY A 53 2.844 9.440 -5.459 1.00 15.00 N ATOM 841 CA GLY A 53 3.999 9.704 -6.333 1.00 11.77 C ATOM 842 C GLY A 53 5.353 9.452 -5.682 1.00 11.10 C ATOM 843 O GLY A 53 6.369 9.532 -6.335 1.00 11.25 O ATOM 0 H GLY A 53 2.461 10.311 -5.091 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.916 9.080 -7.223 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.957 10.741 -6.666 1.00 11.77 H new ATOM 847 N ARG A 54 5.373 9.304 -4.342 1.00 8.53 N ATOM 848 CA ARG A 54 6.504 8.959 -3.534 1.00 9.05 C ATOM 849 C ARG A 54 6.773 7.450 -3.674 1.00 8.96 C ATOM 850 O ARG A 54 5.842 6.626 -3.791 1.00 11.60 O ATOM 851 CB ARG A 54 6.214 9.210 -2.070 1.00 7.97 C ATOM 852 CG ARG A 54 6.094 10.706 -1.772 1.00 9.62 C ATOM 853 CD ARG A 54 7.349 11.629 -2.037 1.00 12.20 C ATOM 854 NE ARG A 54 7.052 12.957 -1.479 1.00 18.23 N ATOM 855 CZ ARG A 54 7.977 13.919 -1.330 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.184 13.797 -1.753 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.697 15.017 -0.570 1.00 23.38 N ATOM 0 H ARG A 54 4.531 9.437 -3.782 1.00 8.53 H new ATOM 0 HA ARG A 54 7.351 9.561 -3.862 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.289 8.706 -1.789 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.009 8.779 -1.461 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.265 11.096 -2.362 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.818 10.814 -0.723 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.239 11.208 -1.570 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.553 11.700 -3.105 1.00 12.20 H new ATOM 0 HE ARG A 54 6.094 13.158 -1.190 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.475 12.941 -2.225 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.851 14.556 -1.616 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.787 15.105 -0.117 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.397 15.750 -0.455 1.00 23.38 H new ATOM 871 N THR A 55 8.052 7.022 -3.483 1.00 9.05 N ATOM 872 CA THR A 55 8.420 5.579 -3.604 1.00 9.03 C ATOM 873 C THR A 55 8.528 4.790 -2.340 1.00 8.15 C ATOM 874 O THR A 55 8.505 5.291 -1.194 1.00 5.91 O ATOM 875 CB THR A 55 9.672 5.310 -4.487 1.00 11.15 C ATOM 876 OG1 THR A 55 10.860 5.804 -3.902 1.00 11.95 O ATOM 877 CG2 THR A 55 9.529 6.049 -5.812 1.00 11.71 C ATOM 0 H THR A 55 8.831 7.638 -3.250 1.00 9.05 H new ATOM 0 HA THR A 55 7.530 5.206 -4.111 1.00 9.03 H new ATOM 0 HB THR A 55 9.734 4.228 -4.607 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.831 6.783 -3.880 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.407 5.860 -6.430 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.637 5.697 -6.330 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.441 7.119 -5.624 1.00 11.71 H new ATOM 885 N LEU A 56 8.705 3.430 -2.469 1.00 6.91 N ATOM 886 CA LEU A 56 8.990 2.553 -1.350 1.00 8.29 C ATOM 887 C LEU A 56 10.350 2.748 -0.649 1.00 8.05 C ATOM 888 O LEU A 56 10.536 2.669 0.542 1.00 10.17 O ATOM 889 CB LEU A 56 8.861 1.079 -1.867 1.00 6.60 C ATOM 890 CG LEU A 56 7.437 0.557 -2.082 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.601 -0.835 -2.784 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.596 0.381 -0.813 1.00 8.64 C ATOM 0 H LEU A 56 8.648 2.944 -3.364 1.00 6.91 H new ATOM 0 HA LEU A 56 8.267 2.804 -0.574 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.401 0.999 -2.811 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.362 0.422 -1.156 1.00 6.60 H new ATOM 0 HG LEU A 56 6.893 1.299 -2.666 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.618 -1.268 -2.969 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.124 -0.705 -3.732 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.176 -1.501 -2.141 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.608 0.007 -1.080 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.085 -0.331 -0.148 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.496 1.341 -0.307 1.00 8.64 H new ATOM 904 N SER A 57 11.317 3.237 -1.447 1.00 8.92 N ATOM 905 CA SER A 57 12.683 3.469 -1.011 1.00 9.00 C ATOM 906 C SER A 57 12.776 4.703 -0.082 1.00 9.44 C ATOM 907 O SER A 57 13.420 4.679 0.979 1.00 10.91 O ATOM 908 CB SER A 57 13.724 3.621 -2.163 1.00 10.32 C ATOM 909 OG SER A 57 15.083 3.649 -1.693 1.00 13.59 O ATOM 0 H SER A 57 11.157 3.482 -2.424 1.00 8.92 H new ATOM 0 HA SER A 57 12.946 2.560 -0.469 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.605 2.795 -2.864 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.517 4.539 -2.714 1.00 10.32 H new ATOM 0 HG SER A 57 15.691 3.744 -2.456 1.00 13.59 H new ATOM 915 N ASP A 58 12.031 5.771 -0.475 1.00 9.11 N ATOM 916 CA ASP A 58 11.885 7.007 0.196 1.00 7.91 C ATOM 917 C ASP A 58 11.284 6.869 1.552 1.00 9.12 C ATOM 918 O ASP A 58 11.610 7.569 2.520 1.00 8.61 O ATOM 919 CB ASP A 58 10.952 7.870 -0.718 1.00 8.41 C ATOM 920 CG ASP A 58 11.504 8.232 -2.078 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.699 8.557 -2.218 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.684 8.148 -3.030 1.00 11.70 O ATOM 0 H ASP A 58 11.492 5.746 -1.341 1.00 9.11 H new ATOM 0 HA ASP A 58 12.863 7.460 0.358 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.016 7.330 -0.860 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.711 8.792 -0.189 1.00 8.41 H new ATOM 927 N TYR A 59 10.332 5.954 1.722 1.00 7.97 N ATOM 928 CA TYR A 59 9.658 5.597 2.977 1.00 8.45 C ATOM 929 C TYR A 59 10.399 4.505 3.742 1.00 10.98 C ATOM 930 O TYR A 59 10.030 4.252 4.869 1.00 12.95 O ATOM 931 CB TYR A 59 8.212 5.127 2.679 1.00 7.94 C ATOM 932 CG TYR A 59 7.363 6.373 2.403 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.169 7.420 3.289 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.689 6.398 1.166 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.258 8.422 2.992 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.766 7.394 0.877 1.00 6.52 C ATOM 937 CZ TYR A 59 5.598 8.455 1.783 1.00 6.76 C ATOM 938 OH TYR A 59 4.738 9.511 1.530 1.00 7.63 O ATOM 0 H TYR A 59 9.985 5.403 0.937 1.00 7.97 H new ATOM 0 HA TYR A 59 9.645 6.489 3.604 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.197 4.457 1.820 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.809 4.570 3.525 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.728 7.456 4.212 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.893 5.632 0.433 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.062 9.192 3.723 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.185 7.354 -0.032 1.00 6.52 H new ATOM 0 HH TYR A 59 5.257 10.334 1.409 1.00 7.63 H new ATOM 948 N ASN A 60 11.458 3.892 3.190 1.00 12.38 N ATOM 949 CA ASN A 60 12.292 2.935 3.892 1.00 13.94 C ATOM 950 C ASN A 60 11.513 1.657 4.185 1.00 14.16 C ATOM 951 O ASN A 60 11.393 1.177 5.316 1.00 14.26 O ATOM 952 CB ASN A 60 13.002 3.505 5.126 1.00 19.23 C ATOM 953 CG ASN A 60 13.846 4.730 4.854 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.248 5.786 4.749 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.229 4.536 4.617 1.00 24.09 N ATOM 0 H ASN A 60 11.754 4.058 2.228 1.00 12.38 H new ATOM 0 HA ASN A 60 13.110 2.681 3.218 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.253 3.755 5.877 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.637 2.730 5.555 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.813 5.322 4.332 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.641 3.610 4.732 1.00 24.09 H new ATOM 962 N ILE A 61 11.022 1.072 3.047 1.00 11.08 N ATOM 963 CA ILE A 61 10.164 -0.060 3.116 1.00 11.78 C ATOM 964 C ILE A 61 11.052 -1.187 2.515 1.00 13.74 C ATOM 965 O ILE A 61 11.528 -1.103 1.376 1.00 14.60 O ATOM 966 CB ILE A 61 8.867 0.189 2.369 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.876 1.171 3.085 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.060 -1.195 2.260 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.843 1.810 2.168 1.00 11.42 C ATOM 0 H ILE A 61 11.228 1.394 2.101 1.00 11.08 H new ATOM 0 HA ILE A 61 9.819 -0.315 4.118 1.00 11.78 H new ATOM 0 HB ILE A 61 9.170 0.622 1.415 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.356 0.629 3.875 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.453 1.961 3.567 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.125 -1.030 1.725 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.662 -1.926 1.721 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.844 -1.570 3.260 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.201 2.473 2.749 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.350 2.384 1.392 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.236 1.032 1.705 1.00 11.42 H new ATOM 981 N GLN A 62 11.100 -2.265 3.263 1.00 13.97 N ATOM 982 CA GLN A 62 12.114 -3.322 3.032 1.00 15.52 C ATOM 983 C GLN A 62 11.449 -4.608 2.793 1.00 13.94 C ATOM 984 O GLN A 62 10.220 -4.735 2.923 1.00 12.15 O ATOM 985 CB GLN A 62 13.091 -3.554 4.249 1.00 19.53 C ATOM 986 CG GLN A 62 13.945 -2.330 4.793 1.00 26.38 C ATOM 987 CD GLN A 62 13.598 -1.941 6.228 1.00 30.61 C ATOM 988 OE1 GLN A 62 12.934 -2.771 6.914 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.144 -0.811 6.727 1.00 32.71 N ATOM 0 H GLN A 62 10.463 -2.452 4.037 1.00 13.97 H new ATOM 0 HA GLN A 62 12.693 -2.974 2.177 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.498 -3.937 5.079 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.788 -4.342 3.966 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.004 -2.582 4.738 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.788 -1.469 4.143 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.668 -0.185 6.116 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.032 -0.584 7.715 1.00 32.71 H new ATOM 998 N LYS A 63 12.217 -5.662 2.382 1.00 11.73 N ATOM 999 CA LYS A 63 11.733 -7.006 2.219 1.00 11.97 C ATOM 1000 C LYS A 63 11.001 -7.467 3.445 1.00 10.41 C ATOM 1001 O LYS A 63 11.372 -7.323 4.613 1.00 9.59 O ATOM 1002 CB LYS A 63 12.806 -7.994 1.838 1.00 13.73 C ATOM 1003 CG LYS A 63 13.972 -8.068 2.836 1.00 16.98 C ATOM 1004 CD LYS A 63 15.004 -9.159 2.497 1.00 20.19 C ATOM 1005 CE LYS A 63 14.498 -10.535 2.897 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.358 -11.619 2.295 1.00 25.97 N ATOM 0 H LYS A 63 13.207 -5.564 2.158 1.00 11.73 H new ATOM 0 HA LYS A 63 11.039 -6.972 1.379 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.358 -8.983 1.745 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.198 -7.728 0.856 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.475 -7.101 2.867 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.574 -8.253 3.834 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.217 -9.143 1.428 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.942 -8.949 3.012 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.498 -10.626 3.983 1.00 23.42 H new ATOM 0 HE3 LYS A 63 13.466 -10.658 2.567 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 14.994 -12.550 2.581 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.337 -11.543 1.258 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.337 -11.512 2.630 1.00 25.97 H new ATOM 1020 N GLU A 64 9.806 -8.071 3.288 1.00 10.04 N ATOM 1021 CA GLU A 64 8.917 -8.543 4.396 1.00 10.94 C ATOM 1022 C GLU A 64 8.437 -7.559 5.420 1.00 9.74 C ATOM 1023 O GLU A 64 7.815 -7.982 6.386 1.00 9.42 O ATOM 1024 CB GLU A 64 9.588 -9.781 5.058 1.00 18.31 C ATOM 1025 CG GLU A 64 10.003 -10.886 3.975 1.00 24.16 C ATOM 1026 CD GLU A 64 10.594 -12.102 4.674 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.998 -12.082 5.837 1.00 31.72 O ATOM 1028 OE2 GLU A 64 10.470 -13.222 4.059 1.00 32.61 O ATOM 0 H GLU A 64 9.412 -8.254 2.365 1.00 10.04 H new ATOM 0 HA GLU A 64 7.974 -8.779 3.903 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.473 -9.463 5.609 1.00 18.31 H new ATOM 0 HB3 GLU A 64 8.903 -10.222 5.782 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.131 -11.180 3.391 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.729 -10.469 3.277 1.00 24.16 H new ATOM 1035 N SER A 65 8.598 -6.229 5.203 1.00 6.85 N ATOM 1036 CA SER A 65 7.863 -5.212 5.961 1.00 6.90 C ATOM 1037 C SER A 65 6.326 -5.205 5.727 1.00 4.72 C ATOM 1038 O SER A 65 5.795 -5.383 4.649 1.00 3.91 O ATOM 1039 CB SER A 65 8.443 -3.790 5.708 1.00 7.28 C ATOM 1040 OG SER A 65 8.046 -2.847 6.664 1.00 10.56 O ATOM 0 H SER A 65 9.235 -5.846 4.505 1.00 6.85 H new ATOM 0 HA SER A 65 8.007 -5.494 7.004 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.531 -3.847 5.696 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.130 -3.449 4.721 1.00 7.28 H new ATOM 0 HG SER A 65 8.444 -1.977 6.450 1.00 10.56 H new ATOM 1046 N THR A 66 5.696 -5.021 6.873 1.00 4.48 N ATOM 1047 CA THR A 66 4.285 -4.683 7.131 1.00 3.80 C ATOM 1048 C THR A 66 3.857 -3.302 6.789 1.00 4.60 C ATOM 1049 O THR A 66 4.174 -2.358 7.467 1.00 5.33 O ATOM 1050 CB THR A 66 3.871 -4.892 8.634 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.199 -6.220 9.110 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.306 -4.732 8.716 1.00 3.40 C ATOM 0 H THR A 66 6.207 -5.112 7.751 1.00 4.48 H new ATOM 0 HA THR A 66 3.787 -5.379 6.456 1.00 3.80 H new ATOM 0 HB THR A 66 4.407 -4.166 9.245 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.927 -6.308 10.047 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.980 -4.871 9.747 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.024 -3.735 8.377 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.830 -5.479 8.081 1.00 3.40 H new ATOM 1060 N LEU A 67 3.076 -3.159 5.685 1.00 4.17 N ATOM 1061 CA LEU A 67 2.222 -1.992 5.416 1.00 3.85 C ATOM 1062 C LEU A 67 0.841 -2.310 5.906 1.00 3.80 C ATOM 1063 O LEU A 67 0.333 -3.436 5.998 1.00 5.54 O ATOM 1064 CB LEU A 67 2.173 -1.595 3.956 1.00 7.18 C ATOM 1065 CG LEU A 67 3.529 -1.728 3.206 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.213 -1.428 1.745 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.592 -0.719 3.659 1.00 11.66 C ATOM 0 H LEU A 67 3.028 -3.867 4.952 1.00 4.17 H new ATOM 0 HA LEU A 67 2.651 -1.137 5.939 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.430 -2.211 3.450 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.832 -0.562 3.885 1.00 7.18 H new ATOM 0 HG LEU A 67 3.937 -2.721 3.397 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.125 -1.503 1.153 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.481 -2.146 1.376 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.807 -0.420 1.660 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.508 -0.876 3.090 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.228 0.294 3.489 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.796 -0.858 4.721 1.00 11.66 H new ATOM 1079 N HIS A 68 0.094 -1.247 6.310 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.227 -1.482 6.852 1.00 4.17 C ATOM 1081 C HIS A 68 -2.124 -0.970 5.713 1.00 5.32 C ATOM 1082 O HIS A 68 -1.927 0.103 5.118 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.420 -0.578 8.088 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.417 -0.829 9.210 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.894 -0.466 9.206 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.535 -1.717 10.263 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.528 -1.100 10.240 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.691 -1.885 10.913 1.00 16.30 N ATOM 0 H HIS A 68 0.386 -0.271 6.266 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.422 -2.512 7.152 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.347 0.464 7.777 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.428 -0.724 8.477 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.332 0.173 8.542 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.451 -2.214 10.545 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.574 -0.979 10.479 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.200 -1.710 5.465 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.284 -1.270 4.623 1.00 3.97 C ATOM 1098 C LEU A 69 -5.528 -1.011 5.404 1.00 5.07 C ATOM 1099 O LEU A 69 -6.017 -1.839 6.123 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.527 -2.324 3.533 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.700 -2.085 2.531 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.433 -0.791 1.887 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.767 -3.095 1.371 1.00 9.96 C ATOM 0 H LEU A 69 -3.336 -2.643 5.853 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.006 -0.322 4.162 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.609 -2.424 2.954 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.699 -3.281 4.026 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.625 -2.159 3.103 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.225 -0.570 1.172 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.399 -0.008 2.644 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.476 -0.834 1.367 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.611 -2.852 0.726 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.844 -3.048 0.794 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.893 -4.101 1.771 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.106 0.170 5.288 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.414 0.441 5.777 1.00 6.26 C ATOM 1117 C VAL A 70 -8.228 1.032 4.650 1.00 9.22 C ATOM 1118 O VAL A 70 -7.729 1.729 3.792 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.495 1.370 7.028 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.651 0.753 8.131 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -7.122 2.817 6.769 1.00 8.54 C ATOM 0 H VAL A 70 -5.659 0.971 4.841 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.809 -0.514 6.123 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.541 1.428 7.330 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.692 1.386 9.018 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.037 -0.237 8.374 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.618 0.667 7.794 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -7.208 3.386 7.695 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.096 2.869 6.405 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.794 3.238 6.021 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.553 0.748 4.575 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.434 1.218 3.485 1.00 16.06 C ATOM 1133 C LEU A 71 -11.047 2.585 3.745 1.00 18.09 C ATOM 1134 O LEU A 71 -11.581 2.832 4.844 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.439 0.158 3.019 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.776 -1.095 2.549 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.811 -2.217 2.280 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.846 -0.896 1.335 1.00 19.57 C ATOM 0 H LEU A 71 -10.038 0.184 5.273 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.778 1.374 2.628 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.117 -0.080 3.839 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.046 0.568 2.212 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.130 -1.405 3.370 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.295 -3.114 1.939 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.355 -2.438 3.198 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.512 -1.889 1.513 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.403 -1.852 1.055 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.421 -0.503 0.497 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.055 -0.192 1.594 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.106 3.380 2.697 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.661 4.707 2.637 1.00 25.83 C ATOM 1152 C ARG A 72 -13.136 4.809 2.930 1.00 27.74 C ATOM 1153 O ARG A 72 -13.861 3.855 2.601 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.294 5.327 1.299 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.399 6.839 1.297 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.417 7.438 0.270 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.881 8.882 0.041 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.620 9.458 -1.143 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.981 8.841 -2.168 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.984 10.713 -1.421 1.00 35.02 N ATOM 0 H ARG A 72 -10.735 3.086 1.793 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.215 5.273 3.455 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.275 5.039 1.039 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.947 4.922 0.526 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.418 7.140 1.055 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.179 7.228 2.291 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.394 7.411 0.645 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.430 6.871 -0.661 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.377 9.393 0.772 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.665 7.877 -2.065 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.816 9.341 -3.041 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.478 11.268 -0.722 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.768 11.117 -2.332 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.635 5.896 3.503 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.969 6.213 3.805 1.00 30.76 C ATOM 1176 C LEU A 73 -15.210 7.423 2.936 1.00 32.18 C ATOM 1177 O LEU A 73 -14.326 8.274 2.866 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.285 6.546 5.321 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.961 5.372 6.233 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.252 5.765 7.714 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.915 4.121 5.881 1.00 29.11 C ATOM 0 H LEU A 73 -13.012 6.651 3.791 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.615 5.354 3.623 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.708 7.417 5.630 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.338 6.808 5.425 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.912 5.110 6.094 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.020 4.923 8.366 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.636 6.620 7.991 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.305 6.027 7.821 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.676 3.285 6.539 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.957 4.407 6.022 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.757 3.824 4.844 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.416 7.489 2.260 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.801 8.532 1.342 1.00 35.33 C ATOM 1195 C ARG A 74 -16.897 9.812 2.125 1.00 36.22 C ATOM 1196 O ARG A 74 -16.655 10.919 1.669 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.146 8.209 0.574 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.052 7.121 -0.397 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.402 7.448 -1.746 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.291 6.190 -2.589 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.587 6.115 -3.706 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.263 7.192 -4.439 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.250 4.973 -4.263 1.00 41.93 N ATOM 0 H ARG A 74 -17.138 6.777 2.371 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.048 8.621 0.559 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.914 7.959 1.306 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.478 9.110 0.058 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.492 6.306 0.061 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.059 6.748 -0.587 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -17.994 8.197 -2.272 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.413 7.878 -1.587 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.787 5.356 -2.276 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.562 8.121 -4.141 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.718 7.082 -5.294 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.533 4.093 -3.833 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.706 4.967 -5.126 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.331 9.708 3.435 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.563 10.818 4.293 1.00 36.07 C ATOM 1219 C GLY A 75 -16.406 11.405 5.046 1.00 36.16 C ATOM 1220 O GLY A 75 -16.557 12.260 5.879 1.00 36.26 O ATOM 0 H GLY A 75 -17.517 8.810 3.882 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.003 11.614 3.691 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.314 10.519 5.024 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.143 10.869 4.844 1.00 36.05 N ATOM 1225 CA GLY A 76 -13.913 11.179 5.571 1.00 36.19 C ATOM 1226 C GLY A 76 -12.733 10.413 5.044 1.00 36.20 C ATOM 1227 O GLY A 76 -12.120 10.905 4.028 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.295 9.319 5.571 1.00 0.00 O ATOM 0 H GLY A 76 -14.982 10.170 4.118 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -13.711 12.248 5.500 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.050 10.950 6.628 1.00 36.19 H new TER 1232 GLY A 76