USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -25:sc= 1.26 USER MOD Set 1.2: A 57 SER OG : rot -84:sc= 0.294 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.378 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.395 X(o=0.77,f=0.38) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 157:sc= 2.29 (180deg=1.16) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.92 USER MOD Set 4.1: A 7 THR OG1 : rot -171:sc= 0.577 USER MOD Set 4.2: A 9 THR OG1 : rot -12:sc= 0.501 USER MOD Single : A 1 MET CE :methyl 177:sc= 0 (180deg=-0.0167) USER MOD Single : A 1 MET N :NH3+ -157:sc= 2.37 (180deg=1.56) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 11 LYS NZ :NH3+ -132:sc= 1.19 (180deg=1.02) USER MOD Single : A 14 THR OG1 : rot -83:sc= 0.42 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0115 USER MOD Single : A 27 LYS NZ :NH3+ -127:sc= 1.16 (180deg=-0.197) USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= 1.21 (180deg=1.15) USER MOD Single : A 31 GLN : amide:sc=-0.00549 K(o=-0.0055,f=-2.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 41 GLN : amide:sc= 1.87 K(o=1.9,f=-3.1!) 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=-0.0046) USER MOD Single : A 59 TYR OH : rot 144:sc= 0.446 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+ 170:sc= -0.114 (180deg=-0.305) USER MOD Single : A 65 SER OG : rot -119:sc= 0.0528 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 11.616 -6.792 -4.383 1.00 9.67 N ATOM 2 CA MET A 1 11.350 -6.676 -2.971 1.00 10.38 C ATOM 3 C MET A 1 10.017 -7.234 -2.556 1.00 9.62 C ATOM 4 O MET A 1 8.946 -6.863 -3.016 1.00 9.62 O ATOM 5 CB MET A 1 11.369 -5.183 -2.713 1.00 13.77 C ATOM 6 CG MET A 1 11.347 -4.795 -1.212 1.00 16.29 C ATOM 7 SD MET A 1 11.821 -3.074 -0.834 1.00 17.17 S ATOM 8 CE MET A 1 10.441 -2.248 -1.618 1.00 16.11 C ATOM 0 H1 MET A 1 12.643 -6.764 -4.546 1.00 9.67 H new ATOM 0 H2 MET A 1 11.234 -7.693 -4.735 1.00 9.67 H new ATOM 0 H3 MET A 1 11.164 -6.003 -4.887 1.00 9.67 H new ATOM 0 HA MET A 1 12.085 -7.245 -2.402 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.261 -4.758 -3.173 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.509 -4.730 -3.206 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.343 -4.970 -0.825 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.017 -5.464 -0.673 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.517 -1.174 -1.451 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.456 -2.451 -2.689 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.507 -2.616 -1.192 1.00 16.11 H new ATOM 20 N GLN A 2 10.087 -8.150 -1.592 1.00 9.27 N ATOM 21 CA GLN A 2 8.907 -8.669 -0.928 1.00 9.07 C ATOM 22 C GLN A 2 8.407 -7.724 0.132 1.00 8.72 C ATOM 23 O GLN A 2 9.215 -7.136 0.894 1.00 8.22 O ATOM 24 CB GLN A 2 9.368 -10.018 -0.269 1.00 14.46 C ATOM 25 CG GLN A 2 8.235 -10.874 0.270 1.00 17.01 C ATOM 26 CD GLN A 2 8.783 -12.221 0.696 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.898 -12.375 1.149 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.966 -13.303 0.560 1.00 19.49 N ATOM 0 H GLN A 2 10.963 -8.548 -1.255 1.00 9.27 H new ATOM 0 HA GLN A 2 8.086 -8.803 -1.633 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.925 -10.596 -1.006 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.056 -9.793 0.546 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.760 -10.378 1.116 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.468 -11.006 -0.494 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.026 -13.188 0.181 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.294 -14.228 0.838 1.00 19.49 H new ATOM 37 N ILE A 3 7.100 -7.528 0.141 1.00 5.87 N ATOM 38 CA ILE A 3 6.441 -6.789 1.264 1.00 5.07 C ATOM 39 C ILE A 3 5.184 -7.556 1.673 1.00 4.01 C ATOM 40 O ILE A 3 4.682 -8.373 0.909 1.00 4.61 O ATOM 41 CB ILE A 3 5.957 -5.369 0.988 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.074 -5.148 -0.260 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.240 -4.606 0.825 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.443 -3.775 -0.445 1.00 10.83 C ATOM 0 H ILE A 3 6.465 -7.852 -0.588 1.00 5.87 H new ATOM 0 HA ILE A 3 7.230 -6.716 2.012 1.00 5.07 H new ATOM 0 HB ILE A 3 5.296 -5.061 1.798 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.679 -5.361 -1.141 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.272 -5.886 -0.239 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.017 -3.559 0.620 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.826 -4.680 1.741 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.809 -5.025 -0.005 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.852 -3.766 -1.361 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.798 -3.554 0.405 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.227 -3.020 -0.512 1.00 10.83 H new ATOM 56 N PHE A 4 4.688 -7.286 2.884 1.00 4.55 N ATOM 57 CA PHE A 4 3.511 -7.950 3.377 1.00 4.68 C ATOM 58 C PHE A 4 2.502 -6.919 3.768 1.00 5.30 C ATOM 59 O PHE A 4 2.699 -5.994 4.579 1.00 5.58 O ATOM 60 CB PHE A 4 3.947 -8.805 4.651 1.00 4.83 C ATOM 61 CG PHE A 4 4.909 -9.930 4.301 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.514 -10.937 3.509 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.059 -10.051 5.048 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.345 -12.030 3.213 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.926 -11.108 4.861 1.00 10.61 C ATOM 66 CZ PHE A 4 6.598 -12.054 3.916 1.00 8.90 C ATOM 0 H PHE A 4 5.094 -6.609 3.530 1.00 4.55 H new ATOM 0 HA PHE A 4 3.072 -8.599 2.620 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.415 -8.146 5.383 1.00 4.83 H new ATOM 0 HB3 PHE A 4 3.059 -9.225 5.123 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.522 -10.907 3.084 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.287 -9.305 5.794 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.062 -12.797 2.508 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.835 -11.191 5.439 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.306 -12.840 3.696 1.00 8.90 H new ATOM 76 N VAL A 5 1.304 -6.991 3.280 1.00 4.44 N ATOM 77 CA VAL A 5 0.318 -5.892 3.409 1.00 3.87 C ATOM 78 C VAL A 5 -0.891 -6.503 4.187 1.00 4.93 C ATOM 79 O VAL A 5 -1.406 -7.517 3.766 1.00 6.84 O ATOM 80 CB VAL A 5 -0.130 -5.256 2.143 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.378 -4.443 2.442 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.962 -4.328 1.564 1.00 9.13 C ATOM 0 H VAL A 5 0.952 -7.804 2.774 1.00 4.44 H new ATOM 0 HA VAL A 5 0.800 -5.063 3.928 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.334 -6.031 1.404 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.728 -3.965 1.527 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.157 -5.101 2.829 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.146 -3.680 3.185 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.604 -3.878 0.638 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.191 -3.543 2.284 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.862 -4.908 1.361 1.00 9.13 H new ATOM 92 N LYS A 6 -1.270 -5.974 5.380 1.00 6.04 N ATOM 93 CA LYS A 6 -2.283 -6.500 6.268 1.00 6.12 C ATOM 94 C LYS A 6 -3.588 -5.753 6.135 1.00 6.57 C ATOM 95 O LYS A 6 -3.608 -4.539 6.249 1.00 5.76 O ATOM 96 CB LYS A 6 -1.905 -6.597 7.724 1.00 7.45 C ATOM 97 CG LYS A 6 -0.699 -7.552 7.890 1.00 11.12 C ATOM 98 CD LYS A 6 -1.033 -9.005 7.760 1.00 14.54 C ATOM 99 CE LYS A 6 -1.037 -9.715 9.139 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.668 -11.063 9.150 1.00 20.55 N ATOM 0 H LYS A 6 -0.841 -5.125 5.747 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.395 -7.529 5.926 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.654 -5.609 8.111 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.752 -6.961 8.306 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.054 -7.298 7.145 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.250 -7.382 8.868 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.011 -9.114 7.291 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.309 -9.488 7.103 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.008 -9.809 9.485 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.558 -9.081 9.856 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.301 -11.612 9.954 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.699 -10.963 9.242 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.446 -11.558 8.263 1.00 20.55 H new ATOM 114 N THR A 7 -4.749 -6.428 5.832 1.00 7.41 N ATOM 115 CA THR A 7 -6.134 -5.815 5.828 1.00 7.48 C ATOM 116 C THR A 7 -6.641 -5.237 7.122 1.00 8.75 C ATOM 117 O THR A 7 -6.093 -5.461 8.223 1.00 8.58 O ATOM 118 CB THR A 7 -7.164 -6.631 5.160 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.542 -7.826 5.920 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.498 -7.107 3.853 1.00 9.17 C ATOM 0 H THR A 7 -4.754 -7.417 5.582 1.00 7.41 H new ATOM 0 HA THR A 7 -5.949 -4.940 5.205 1.00 7.48 H new ATOM 0 HB THR A 7 -8.070 -6.039 5.031 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.117 -8.396 5.368 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.199 -7.724 3.291 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.215 -6.242 3.253 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.609 -7.692 4.090 1.00 9.17 H new ATOM 128 N LEU A 8 -7.837 -4.583 7.146 1.00 9.84 N ATOM 129 CA LEU A 8 -8.558 -4.199 8.348 1.00 14.15 C ATOM 130 C LEU A 8 -8.868 -5.417 9.170 1.00 17.37 C ATOM 131 O LEU A 8 -8.788 -5.385 10.427 1.00 17.01 O ATOM 132 CB LEU A 8 -9.889 -3.539 7.952 1.00 16.63 C ATOM 133 CG LEU A 8 -9.795 -2.132 7.252 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.229 -1.699 6.924 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.113 -1.107 8.143 1.00 18.59 C ATOM 0 H LEU A 8 -8.323 -4.310 6.292 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.942 -3.508 8.923 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.421 -4.217 7.285 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.498 -3.433 8.850 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.191 -2.202 6.348 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.212 -0.725 6.436 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.687 -2.431 6.258 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.809 -1.633 7.845 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.067 -0.149 7.626 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.680 -0.994 9.067 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.103 -1.443 8.376 1.00 18.59 H new ATOM 147 N THR A 9 -9.258 -6.546 8.534 1.00 18.33 N ATOM 148 CA THR A 9 -9.528 -7.819 9.197 1.00 19.24 C ATOM 149 C THR A 9 -8.295 -8.476 9.693 1.00 19.48 C ATOM 150 O THR A 9 -8.422 -9.426 10.424 1.00 23.14 O ATOM 151 CB THR A 9 -10.298 -8.857 8.462 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.642 -9.369 7.265 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.634 -8.143 8.045 1.00 19.70 C ATOM 0 H THR A 9 -9.393 -6.586 7.524 1.00 18.33 H new ATOM 0 HA THR A 9 -10.179 -7.467 9.998 1.00 19.24 H new ATOM 0 HB THR A 9 -10.426 -9.728 9.105 1.00 18.97 H new ATOM 0 HG1 THR A 9 -8.880 -8.796 7.039 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.264 -8.842 7.495 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.160 -7.806 8.938 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.406 -7.285 7.412 1.00 19.70 H new ATOM 161 N GLY A 10 -7.090 -8.037 9.330 1.00 19.43 N ATOM 162 CA GLY A 10 -5.801 -8.691 9.697 1.00 18.74 C ATOM 163 C GLY A 10 -5.296 -9.660 8.694 1.00 17.62 C ATOM 164 O GLY A 10 -4.247 -10.213 8.915 1.00 19.74 O ATOM 0 H GLY A 10 -6.963 -7.200 8.760 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.047 -7.919 9.850 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.927 -9.206 10.649 1.00 18.74 H new ATOM 168 N LYS A 11 -6.010 -9.838 7.557 1.00 13.56 N ATOM 169 CA LYS A 11 -5.540 -10.717 6.425 1.00 11.91 C ATOM 170 C LYS A 11 -4.216 -10.294 5.839 1.00 10.18 C ATOM 171 O LYS A 11 -3.953 -9.141 5.572 1.00 9.10 O ATOM 172 CB LYS A 11 -6.628 -10.969 5.340 1.00 13.43 C ATOM 173 CG LYS A 11 -6.359 -11.998 4.288 1.00 16.69 C ATOM 174 CD LYS A 11 -7.382 -12.092 3.167 1.00 17.92 C ATOM 175 CE LYS A 11 -7.579 -10.837 2.291 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.545 -10.975 1.183 1.00 21.93 N ATOM 0 H LYS A 11 -6.912 -9.393 7.386 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.357 -11.687 6.888 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.548 -11.250 5.852 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.820 -10.022 4.836 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.384 -11.790 3.846 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.289 -12.973 4.771 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.096 -12.918 2.516 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.344 -12.352 3.608 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.903 -10.017 2.931 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.613 -10.553 1.873 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.122 -10.609 0.306 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.788 -11.978 1.057 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.406 -10.435 1.404 1.00 21.93 H new ATOM 190 N THR A 12 -3.287 -11.219 5.529 1.00 9.63 N ATOM 191 CA THR A 12 -1.967 -10.967 4.931 1.00 9.85 C ATOM 192 C THR A 12 -2.025 -11.071 3.407 1.00 11.66 C ATOM 193 O THR A 12 -2.391 -12.156 2.934 1.00 12.33 O ATOM 194 CB THR A 12 -0.775 -11.888 5.344 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.563 -11.988 6.730 1.00 10.91 O ATOM 196 CG2 THR A 12 0.572 -11.396 4.708 1.00 9.63 C ATOM 0 H THR A 12 -3.448 -12.212 5.699 1.00 9.63 H new ATOM 0 HA THR A 12 -1.760 -9.971 5.323 1.00 9.85 H new ATOM 0 HB THR A 12 -1.066 -12.870 4.971 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.197 -12.582 6.903 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.382 -12.058 5.014 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.486 -11.406 3.621 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.785 -10.382 5.046 1.00 9.63 H new ATOM 204 N ILE A 13 -1.587 -10.006 2.693 1.00 10.42 N ATOM 205 CA ILE A 13 -1.417 -10.088 1.248 1.00 11.84 C ATOM 206 C ILE A 13 0.079 -9.865 0.986 1.00 10.55 C ATOM 207 O ILE A 13 0.677 -8.910 1.467 1.00 11.92 O ATOM 208 CB ILE A 13 -2.379 -9.272 0.385 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.160 -7.720 0.377 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.789 -9.683 0.825 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.175 -6.876 -0.417 1.00 16.46 C ATOM 0 H ILE A 13 -1.352 -9.100 3.099 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.724 -11.076 0.904 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.193 -9.505 -0.663 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.164 -7.372 1.410 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.166 -7.520 -0.023 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.527 -9.132 0.242 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.924 -10.752 0.663 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.920 -9.457 1.883 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.910 -5.822 -0.341 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.161 -7.179 -1.464 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.174 -7.029 -0.009 1.00 16.46 H new ATOM 223 N THR A 14 0.724 -10.788 0.272 1.00 9.39 N ATOM 224 CA THR A 14 2.168 -10.713 -0.067 1.00 9.63 C ATOM 225 C THR A 14 2.354 -10.183 -1.456 1.00 11.20 C ATOM 226 O THR A 14 1.668 -10.681 -2.359 1.00 11.63 O ATOM 227 CB THR A 14 2.707 -12.108 -0.010 1.00 10.38 C ATOM 228 OG1 THR A 14 2.535 -12.658 1.316 1.00 16.30 O ATOM 229 CG2 THR A 14 4.218 -12.221 -0.212 1.00 11.66 C ATOM 0 H THR A 14 0.265 -11.621 -0.096 1.00 9.39 H new ATOM 0 HA THR A 14 2.682 -10.050 0.629 1.00 9.63 H new ATOM 0 HB THR A 14 2.164 -12.617 -0.806 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.268 -12.357 1.893 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.516 -13.268 -0.154 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.485 -11.821 -1.190 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.732 -11.654 0.564 1.00 11.66 H new ATOM 237 N LEU A 15 3.302 -9.242 -1.631 1.00 8.29 N ATOM 238 CA LEU A 15 3.455 -8.617 -2.951 1.00 9.03 C ATOM 239 C LEU A 15 4.946 -8.574 -3.394 1.00 8.59 C ATOM 240 O LEU A 15 5.863 -8.670 -2.595 1.00 7.79 O ATOM 241 CB LEU A 15 3.037 -7.091 -2.820 1.00 11.08 C ATOM 242 CG LEU A 15 1.552 -6.871 -2.383 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.206 -5.400 -2.081 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.624 -7.322 -3.438 1.00 15.27 C ATOM 0 H LEU A 15 3.944 -8.912 -0.910 1.00 8.29 H new ATOM 0 HA LEU A 15 2.855 -9.189 -3.659 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.693 -6.607 -2.097 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.199 -6.597 -3.778 1.00 11.08 H new ATOM 0 HG LEU A 15 1.442 -7.453 -1.468 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.160 -5.326 -1.785 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.839 -5.036 -1.272 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.374 -4.796 -2.973 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.404 -7.160 -3.113 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.809 -6.757 -4.351 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.780 -8.383 -3.630 1.00 15.27 H new ATOM 256 N GLU A 16 5.138 -8.459 -4.667 1.00 11.04 N ATOM 257 CA GLU A 16 6.439 -8.269 -5.270 1.00 11.50 C ATOM 258 C GLU A 16 6.514 -6.914 -5.869 1.00 10.13 C ATOM 259 O GLU A 16 5.651 -6.612 -6.681 1.00 9.83 O ATOM 260 CB GLU A 16 6.876 -9.270 -6.390 1.00 17.22 C ATOM 261 CG GLU A 16 8.295 -9.186 -6.961 1.00 23.33 C ATOM 262 CD GLU A 16 9.387 -9.419 -5.952 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.315 -10.303 -5.083 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.387 -8.665 -5.996 1.00 28.86 O ATOM 0 H GLU A 16 4.378 -8.494 -5.346 1.00 11.04 H new ATOM 0 HA GLU A 16 7.117 -8.438 -4.433 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.740 -10.278 -5.999 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.181 -9.154 -7.222 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.395 -9.919 -7.762 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.435 -8.202 -7.409 1.00 23.33 H new ATOM 271 N VAL A 17 7.513 -6.044 -5.457 1.00 8.99 N ATOM 272 CA VAL A 17 7.465 -4.618 -5.833 1.00 8.85 C ATOM 273 C VAL A 17 8.995 -4.274 -5.936 1.00 8.04 C ATOM 274 O VAL A 17 9.800 -5.032 -5.456 1.00 8.99 O ATOM 275 CB VAL A 17 6.828 -3.712 -4.827 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.277 -3.906 -4.723 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.309 -3.907 -3.379 1.00 10.54 C ATOM 0 H VAL A 17 8.317 -6.313 -4.890 1.00 8.99 H new ATOM 0 HA VAL A 17 6.862 -4.470 -6.729 1.00 8.85 H new ATOM 0 HB VAL A 17 7.116 -2.733 -5.210 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.874 -3.221 -3.977 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.819 -3.700 -5.690 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.058 -4.932 -4.429 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.790 -3.206 -2.726 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.096 -4.927 -3.059 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.383 -3.727 -3.325 1.00 10.54 H new ATOM 287 N GLU A 18 9.393 -3.139 -6.392 1.00 7.29 N ATOM 288 CA GLU A 18 10.717 -2.546 -6.312 1.00 7.08 C ATOM 289 C GLU A 18 10.759 -1.299 -5.544 1.00 6.45 C ATOM 290 O GLU A 18 9.697 -0.610 -5.503 1.00 5.28 O ATOM 291 CB GLU A 18 11.496 -2.371 -7.658 1.00 10.28 C ATOM 292 CG GLU A 18 12.079 -3.603 -8.368 1.00 12.65 C ATOM 293 CD GLU A 18 13.126 -4.265 -7.450 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.266 -3.719 -7.343 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.816 -5.350 -6.896 1.00 18.17 O ATOM 0 H GLU A 18 8.745 -2.525 -6.885 1.00 7.29 H new ATOM 0 HA GLU A 18 11.255 -3.321 -5.766 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.824 -1.878 -8.361 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.321 -1.684 -7.470 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.285 -4.311 -8.605 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.538 -3.311 -9.312 1.00 12.65 H new ATOM 302 N PRO A 19 11.834 -0.775 -4.976 1.00 7.24 N ATOM 303 CA PRO A 19 11.782 0.396 -4.196 1.00 7.07 C ATOM 304 C PRO A 19 11.596 1.734 -4.925 1.00 6.65 C ATOM 305 O PRO A 19 11.234 2.658 -4.208 1.00 6.37 O ATOM 306 CB PRO A 19 13.127 0.502 -3.487 1.00 7.61 C ATOM 307 CG PRO A 19 14.063 -0.296 -4.472 1.00 8.16 C ATOM 308 CD PRO A 19 13.158 -1.384 -4.916 1.00 7.49 C ATOM 0 HA PRO A 19 10.897 0.275 -3.571 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.446 1.537 -3.365 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.103 0.057 -2.492 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.404 0.320 -5.304 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.953 -0.680 -3.973 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.457 -1.774 -5.889 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.176 -2.221 -4.218 1.00 7.49 H new ATOM 316 N SER A 20 11.707 1.790 -6.245 1.00 6.80 N ATOM 317 CA SER A 20 11.384 2.887 -7.072 1.00 6.28 C ATOM 318 C SER A 20 9.966 2.836 -7.673 1.00 8.45 C ATOM 319 O SER A 20 9.631 3.683 -8.498 1.00 7.26 O ATOM 320 CB SER A 20 12.425 2.974 -8.224 1.00 8.57 C ATOM 321 OG SER A 20 12.679 1.715 -8.902 1.00 11.13 O ATOM 0 H SER A 20 12.054 0.996 -6.782 1.00 6.80 H new ATOM 0 HA SER A 20 11.410 3.770 -6.434 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.078 3.703 -8.956 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.365 3.351 -7.820 1.00 8.57 H new ATOM 0 HG SER A 20 13.341 1.853 -9.611 1.00 11.13 H new ATOM 327 N ASP A 21 9.186 1.803 -7.360 1.00 7.50 N ATOM 328 CA ASP A 21 7.849 1.737 -7.748 1.00 7.70 C ATOM 329 C ASP A 21 7.044 2.764 -7.029 1.00 7.08 C ATOM 330 O ASP A 21 7.422 3.106 -5.897 1.00 8.11 O ATOM 331 CB ASP A 21 7.210 0.342 -7.434 1.00 11.00 C ATOM 332 CG ASP A 21 7.716 -0.809 -8.247 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.410 -0.669 -9.288 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.216 -1.916 -7.947 1.00 14.36 O ATOM 0 H ASP A 21 9.504 0.997 -6.822 1.00 7.50 H new ATOM 0 HA ASP A 21 7.837 1.909 -8.824 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.375 0.118 -6.380 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.132 0.417 -7.578 1.00 11.00 H new ATOM 339 N THR A 22 6.010 3.416 -7.588 1.00 5.37 N ATOM 340 CA THR A 22 5.174 4.477 -7.001 1.00 6.01 C ATOM 341 C THR A 22 4.074 3.826 -6.191 1.00 8.01 C ATOM 342 O THR A 22 3.830 2.664 -6.376 1.00 8.11 O ATOM 343 CB THR A 22 4.607 5.584 -7.856 1.00 8.92 C ATOM 344 OG1 THR A 22 3.515 5.277 -8.652 1.00 10.22 O ATOM 345 CG2 THR A 22 5.606 6.190 -8.812 1.00 9.65 C ATOM 0 H THR A 22 5.714 3.197 -8.539 1.00 5.37 H new ATOM 0 HA THR A 22 5.900 5.043 -6.418 1.00 6.01 H new ATOM 0 HB THR A 22 4.299 6.267 -7.065 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.242 6.073 -9.154 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.124 6.978 -9.391 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.439 6.611 -8.249 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.978 5.419 -9.487 1.00 9.65 H new ATOM 353 N ILE A 23 3.550 4.561 -5.202 1.00 8.32 N ATOM 354 CA ILE A 23 2.514 4.094 -4.349 1.00 9.92 C ATOM 355 C ILE A 23 1.191 3.874 -5.172 1.00 10.01 C ATOM 356 O ILE A 23 0.469 2.879 -4.994 1.00 8.71 O ATOM 357 CB ILE A 23 2.217 5.092 -3.239 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.455 5.130 -2.348 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.876 4.737 -2.490 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.670 3.845 -1.475 1.00 12.30 C ATOM 0 H ILE A 23 3.858 5.510 -4.990 1.00 8.32 H new ATOM 0 HA ILE A 23 2.855 3.156 -3.911 1.00 9.92 H new ATOM 0 HB ILE A 23 2.034 6.095 -3.625 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.334 5.278 -2.975 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.385 5.994 -1.688 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.694 5.469 -1.704 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.048 4.752 -3.199 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.958 3.744 -2.049 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.572 3.960 -0.874 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.812 3.704 -0.818 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.775 2.977 -2.125 1.00 12.30 H new ATOM 372 N GLU A 24 0.892 4.745 -6.229 1.00 9.54 N ATOM 373 CA GLU A 24 -0.190 4.591 -7.173 1.00 11.81 C ATOM 374 C GLU A 24 -0.059 3.310 -8.008 1.00 11.14 C ATOM 375 O GLU A 24 -1.037 2.633 -8.263 1.00 10.62 O ATOM 376 CB GLU A 24 -0.234 5.811 -8.109 1.00 19.24 C ATOM 377 CG GLU A 24 -1.455 5.828 -9.042 1.00 27.76 C ATOM 378 CD GLU A 24 -1.591 7.136 -9.784 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.936 8.117 -9.151 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.467 7.114 -11.021 1.00 36.51 O ATOM 0 H GLU A 24 1.446 5.583 -6.407 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.115 4.516 -6.601 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.234 6.720 -7.507 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.674 5.828 -8.712 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.372 5.012 -9.760 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.358 5.648 -8.458 1.00 27.76 H new ATOM 387 N ASN A 25 1.226 2.861 -8.403 1.00 9.43 N ATOM 388 CA ASN A 25 1.445 1.510 -8.959 1.00 10.96 C ATOM 389 C ASN A 25 1.246 0.400 -7.982 1.00 9.68 C ATOM 390 O ASN A 25 0.522 -0.520 -8.379 1.00 9.33 O ATOM 391 CB ASN A 25 2.774 1.482 -9.718 1.00 16.78 C ATOM 392 CG ASN A 25 2.618 2.255 -10.993 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.074 1.726 -11.930 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.010 3.543 -11.040 1.00 24.70 N ATOM 0 H ASN A 25 2.071 3.427 -8.332 1.00 9.43 H new ATOM 0 HA ASN A 25 0.654 1.305 -9.681 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.566 1.916 -9.108 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.064 0.454 -9.933 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.849 4.095 -11.883 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.468 3.966 -10.233 1.00 24.70 H new ATOM 401 N VAL A 26 1.662 0.506 -6.680 1.00 6.52 N ATOM 402 CA VAL A 26 1.334 -0.479 -5.626 1.00 5.53 C ATOM 403 C VAL A 26 -0.156 -0.583 -5.504 1.00 4.42 C ATOM 404 O VAL A 26 -0.697 -1.681 -5.586 1.00 3.40 O ATOM 405 CB VAL A 26 2.050 -0.205 -4.333 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.584 -1.169 -3.212 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.579 -0.236 -4.610 1.00 8.12 C ATOM 0 H VAL A 26 2.234 1.281 -6.344 1.00 6.52 H new ATOM 0 HA VAL A 26 1.708 -1.461 -5.915 1.00 5.53 H new ATOM 0 HB VAL A 26 1.801 0.786 -3.954 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.122 -0.943 -2.291 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.514 -1.045 -3.047 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.788 -2.198 -3.509 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.120 -0.039 -3.685 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.860 -1.217 -4.993 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.831 0.527 -5.347 1.00 8.12 H new ATOM 417 N LYS A 27 -0.922 0.527 -5.349 1.00 2.64 N ATOM 418 CA LYS A 27 -2.400 0.432 -5.201 1.00 4.14 C ATOM 419 C LYS A 27 -3.196 -0.271 -6.373 1.00 5.58 C ATOM 420 O LYS A 27 -4.160 -0.960 -6.182 1.00 4.11 O ATOM 421 CB LYS A 27 -3.079 1.827 -4.966 1.00 3.97 C ATOM 422 CG LYS A 27 -2.625 2.666 -3.754 1.00 7.45 C ATOM 423 CD LYS A 27 -3.344 4.048 -3.670 1.00 9.02 C ATOM 424 CE LYS A 27 -3.206 4.660 -2.259 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.048 5.836 -2.110 1.00 15.47 N ATOM 0 H LYS A 27 -0.553 1.478 -5.323 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.472 -0.213 -4.325 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.924 2.427 -5.863 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.153 1.663 -4.873 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.816 2.106 -2.839 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.548 2.825 -3.811 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.919 4.728 -4.408 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.399 3.928 -3.917 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.479 3.917 -1.510 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.166 4.929 -2.077 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.473 6.634 -1.773 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.472 6.078 -3.028 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.802 5.638 -1.422 1.00 15.47 H new ATOM 439 N ALA A 28 -2.722 -0.054 -7.619 1.00 6.61 N ATOM 440 CA ALA A 28 -3.276 -0.754 -8.781 1.00 7.74 C ATOM 441 C ALA A 28 -3.028 -2.255 -8.760 1.00 9.17 C ATOM 442 O ALA A 28 -3.849 -3.072 -9.125 1.00 11.45 O ATOM 443 CB ALA A 28 -2.713 -0.186 -10.036 1.00 7.68 C ATOM 0 H ALA A 28 -1.965 0.594 -7.837 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.355 -0.605 -8.738 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -3.131 -0.713 -10.894 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.966 0.872 -10.102 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.629 -0.300 -10.033 1.00 7.68 H new ATOM 449 N LYS A 29 -1.827 -2.680 -8.316 1.00 8.96 N ATOM 450 CA LYS A 29 -1.505 -4.074 -8.007 1.00 7.90 C ATOM 451 C LYS A 29 -2.354 -4.725 -6.895 1.00 6.92 C ATOM 452 O LYS A 29 -2.695 -5.943 -6.965 1.00 6.87 O ATOM 453 CB LYS A 29 0.047 -4.162 -7.625 1.00 10.28 C ATOM 454 CG LYS A 29 0.623 -5.591 -7.777 1.00 14.94 C ATOM 455 CD LYS A 29 2.173 -5.694 -7.618 1.00 19.69 C ATOM 456 CE LYS A 29 2.897 -5.680 -8.954 1.00 22.63 C ATOM 457 NZ LYS A 29 4.313 -5.426 -8.735 1.00 24.98 N ATOM 0 H LYS A 29 -1.044 -2.045 -8.162 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.744 -4.644 -8.904 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.612 -3.478 -8.259 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.183 -3.828 -6.596 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.152 -6.238 -7.036 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.346 -5.976 -8.758 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.528 -4.864 -7.007 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.420 -6.612 -7.084 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.762 -6.634 -9.463 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.474 -4.911 -9.601 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.855 -5.743 -9.564 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.465 -4.407 -8.591 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.633 -5.946 -7.893 1.00 24.98 H new ATOM 471 N ILE A 30 -2.696 -3.970 -5.853 1.00 4.57 N ATOM 472 CA ILE A 30 -3.671 -4.351 -4.782 1.00 5.58 C ATOM 473 C ILE A 30 -5.106 -4.346 -5.356 1.00 7.26 C ATOM 474 O ILE A 30 -5.908 -5.068 -4.837 1.00 9.46 O ATOM 475 CB ILE A 30 -3.508 -3.418 -3.579 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.091 -3.724 -2.947 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.572 -3.530 -2.554 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.821 -2.837 -1.728 1.00 2.00 C ATOM 0 H ILE A 30 -2.300 -3.041 -5.708 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.471 -5.363 -4.431 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.591 -2.392 -3.936 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.040 -4.773 -2.655 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.315 -3.564 -3.695 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.370 -2.831 -1.742 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.537 -3.295 -3.004 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.593 -4.546 -2.161 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.839 -3.072 -1.317 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.847 -1.789 -2.027 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.584 -3.017 -0.971 1.00 2.00 H new ATOM 490 N GLN A 31 -5.476 -3.552 -6.409 1.00 7.06 N ATOM 491 CA GLN A 31 -6.714 -3.712 -7.113 1.00 8.67 C ATOM 492 C GLN A 31 -6.742 -4.980 -7.899 1.00 10.90 C ATOM 493 O GLN A 31 -7.732 -5.664 -8.035 1.00 9.63 O ATOM 494 CB GLN A 31 -7.008 -2.482 -7.947 1.00 9.12 C ATOM 495 CG GLN A 31 -8.453 -2.380 -8.471 1.00 10.76 C ATOM 496 CD GLN A 31 -8.754 -1.389 -9.548 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.329 -0.311 -9.396 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.412 -1.722 -10.811 1.00 14.76 N ATOM 0 H GLN A 31 -4.897 -2.792 -6.766 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.521 -3.803 -6.386 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.791 -1.596 -7.350 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.327 -2.467 -8.798 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.743 -3.365 -8.837 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.098 -2.153 -7.622 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -7.934 -2.604 -10.994 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.632 -1.092 -11.582 1.00 14.76 H new ATOM 507 N ASP A 32 -5.594 -5.366 -8.545 1.00 10.93 N ATOM 508 CA ASP A 32 -5.471 -6.650 -9.244 1.00 14.01 C ATOM 509 C ASP A 32 -5.655 -7.868 -8.277 1.00 14.04 C ATOM 510 O ASP A 32 -6.337 -8.846 -8.624 1.00 13.39 O ATOM 511 CB ASP A 32 -4.200 -6.656 -10.148 1.00 18.01 C ATOM 512 CG ASP A 32 -4.304 -7.875 -11.005 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.181 -7.942 -11.921 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.503 -8.863 -10.892 1.00 26.29 O ATOM 0 H ASP A 32 -4.752 -4.792 -8.584 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.301 -6.777 -9.940 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.152 -5.754 -10.758 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.293 -6.681 -9.544 1.00 18.01 H new ATOM 519 N LYS A 33 -5.040 -7.891 -7.074 1.00 14.22 N ATOM 520 CA LYS A 33 -5.379 -8.822 -6.018 1.00 14.00 C ATOM 521 C LYS A 33 -6.790 -8.817 -5.420 1.00 12.37 C ATOM 522 O LYS A 33 -7.555 -9.799 -5.470 1.00 12.17 O ATOM 523 CB LYS A 33 -4.367 -8.625 -4.859 1.00 18.62 C ATOM 524 CG LYS A 33 -2.850 -8.885 -5.251 1.00 24.00 C ATOM 525 CD LYS A 33 -2.529 -10.364 -5.206 1.00 27.61 C ATOM 526 CE LYS A 33 -1.220 -10.692 -5.944 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.049 -12.143 -6.073 1.00 30.06 N ATOM 0 H LYS A 33 -4.288 -7.249 -6.824 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.336 -9.785 -6.526 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.461 -7.607 -4.482 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.637 -9.294 -4.042 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.656 -8.497 -6.251 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.195 -8.345 -4.567 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.450 -10.687 -4.168 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.348 -10.927 -5.653 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.228 -10.232 -6.932 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.375 -10.268 -5.402 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.160 -12.345 -6.574 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.019 -12.574 -5.127 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.846 -12.540 -6.610 1.00 30.06 H new ATOM 541 N GLU A 34 -7.222 -7.747 -4.789 1.00 10.11 N ATOM 542 CA GLU A 34 -8.356 -7.732 -3.835 1.00 10.07 C ATOM 543 C GLU A 34 -9.605 -6.948 -4.314 1.00 9.32 C ATOM 544 O GLU A 34 -10.624 -6.864 -3.641 1.00 11.61 O ATOM 545 CB GLU A 34 -7.825 -6.922 -2.627 1.00 14.77 C ATOM 546 CG GLU A 34 -6.692 -7.606 -1.830 1.00 18.75 C ATOM 547 CD GLU A 34 -6.916 -9.092 -1.507 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.935 -9.325 -0.785 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.225 -10.023 -2.013 1.00 25.19 O ATOM 0 H GLU A 34 -6.796 -6.829 -4.915 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.662 -8.763 -3.660 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.466 -5.957 -2.985 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.655 -6.721 -1.950 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.765 -7.510 -2.395 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.552 -7.065 -0.894 1.00 18.75 H new ATOM 556 N GLY A 35 -9.458 -6.404 -5.507 1.00 7.22 N ATOM 557 CA GLY A 35 -10.554 -5.591 -6.030 1.00 6.29 C ATOM 558 C GLY A 35 -10.943 -4.336 -5.282 1.00 6.93 C ATOM 559 O GLY A 35 -12.071 -3.839 -5.516 1.00 7.41 O ATOM 0 H GLY A 35 -8.640 -6.497 -6.109 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.296 -5.303 -7.049 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.437 -6.227 -6.093 1.00 6.29 H new ATOM 563 N ILE A 36 -10.037 -3.695 -4.438 1.00 5.86 N ATOM 564 CA ILE A 36 -10.223 -2.369 -3.809 1.00 6.07 C ATOM 565 C ILE A 36 -9.689 -1.237 -4.690 1.00 6.36 C ATOM 566 O ILE A 36 -8.492 -1.184 -4.905 1.00 6.18 O ATOM 567 CB ILE A 36 -9.555 -2.318 -2.421 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.021 -3.594 -1.640 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.885 -0.961 -1.762 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.210 -3.742 -0.329 1.00 9.49 C ATOM 0 H ILE A 36 -9.144 -4.120 -4.188 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.297 -2.223 -3.691 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.466 -2.354 -2.449 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.085 -3.522 -1.413 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.887 -4.479 -2.262 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.418 -0.911 -0.778 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.505 -0.152 -2.385 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.965 -0.861 -1.656 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.542 -4.632 0.206 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.150 -3.835 -0.565 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.366 -2.863 0.297 1.00 9.49 H new ATOM 582 N PRO A 37 -10.530 -0.278 -5.196 1.00 8.65 N ATOM 583 CA PRO A 37 -10.094 0.875 -5.996 1.00 9.18 C ATOM 584 C PRO A 37 -8.916 1.627 -5.396 1.00 9.85 C ATOM 585 O PRO A 37 -9.012 1.865 -4.172 1.00 8.51 O ATOM 586 CB PRO A 37 -11.376 1.729 -6.061 1.00 11.42 C ATOM 587 CG PRO A 37 -12.398 0.637 -6.308 1.00 9.27 C ATOM 588 CD PRO A 37 -11.999 -0.445 -5.299 1.00 8.33 C ATOM 0 HA PRO A 37 -9.708 0.587 -6.974 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.562 2.274 -5.136 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.348 2.465 -6.865 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.415 0.991 -6.139 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.355 0.268 -7.333 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.490 -0.301 -4.337 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.269 -1.442 -5.648 1.00 8.33 H new ATOM 596 N PRO A 38 -7.942 2.184 -6.099 1.00 8.71 N ATOM 597 CA PRO A 38 -6.783 2.927 -5.501 1.00 9.08 C ATOM 598 C PRO A 38 -7.166 4.128 -4.687 1.00 9.28 C ATOM 599 O PRO A 38 -6.432 4.523 -3.733 1.00 6.50 O ATOM 600 CB PRO A 38 -5.918 3.322 -6.748 1.00 10.31 C ATOM 601 CG PRO A 38 -6.155 2.099 -7.651 1.00 10.81 C ATOM 602 CD PRO A 38 -7.651 1.794 -7.447 1.00 12.00 C ATOM 0 HA PRO A 38 -6.254 2.307 -4.777 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.255 4.250 -7.210 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.866 3.455 -6.497 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.928 2.319 -8.694 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.529 1.256 -7.359 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.265 2.348 -8.157 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.860 0.736 -7.603 1.00 12.00 H new ATOM 610 N ASP A 39 -8.320 4.764 -4.955 1.00 11.20 N ATOM 611 CA ASP A 39 -8.788 5.881 -4.189 1.00 14.96 C ATOM 612 C ASP A 39 -9.373 5.370 -2.862 1.00 13.99 C ATOM 613 O ASP A 39 -9.495 6.136 -1.896 1.00 13.75 O ATOM 614 CB ASP A 39 -9.950 6.646 -4.881 1.00 24.16 C ATOM 615 CG ASP A 39 -9.437 7.454 -6.082 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.712 6.891 -6.938 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.761 8.659 -6.167 1.00 34.22 O ATOM 0 H ASP A 39 -8.942 4.498 -5.719 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.931 6.543 -4.064 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.710 5.938 -5.212 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.427 7.315 -4.165 1.00 24.16 H new ATOM 622 N GLN A 40 -9.846 4.090 -2.744 1.00 11.60 N ATOM 623 CA GLN A 40 -10.339 3.684 -1.506 1.00 10.76 C ATOM 624 C GLN A 40 -9.224 3.181 -0.592 1.00 8.01 C ATOM 625 O GLN A 40 -9.409 2.905 0.604 1.00 8.96 O ATOM 626 CB GLN A 40 -11.306 2.565 -1.647 1.00 11.14 C ATOM 627 CG GLN A 40 -12.617 3.068 -2.288 1.00 14.85 C ATOM 628 CD GLN A 40 -13.640 1.876 -2.316 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.299 0.750 -2.004 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.807 2.240 -2.976 1.00 18.16 N ATOM 0 H GLN A 40 -9.873 3.393 -3.488 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.820 4.563 -1.078 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.872 1.776 -2.261 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.515 2.130 -0.670 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.023 3.903 -1.717 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.431 3.432 -3.298 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.989 3.221 -3.187 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.482 1.526 -3.250 1.00 18.16 H new ATOM 639 N GLN A 41 -7.990 3.037 -1.104 1.00 6.52 N ATOM 640 CA GLN A 41 -6.903 2.524 -0.365 1.00 3.87 C ATOM 641 C GLN A 41 -6.208 3.676 0.361 1.00 4.79 C ATOM 642 O GLN A 41 -5.767 4.674 -0.245 1.00 6.34 O ATOM 643 CB GLN A 41 -5.816 1.753 -1.261 1.00 4.20 C ATOM 644 CG GLN A 41 -6.319 0.397 -1.712 1.00 3.20 C ATOM 645 CD GLN A 41 -5.376 -0.195 -2.768 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.180 -0.236 -2.527 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.885 -0.560 -3.994 1.00 7.13 N ATOM 0 H GLN A 41 -7.751 3.288 -2.063 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.317 1.794 0.331 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.569 2.358 -2.134 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -4.896 1.628 -0.689 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.388 -0.276 -0.857 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.324 0.492 -2.124 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.890 -0.514 -4.163 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.257 -0.876 -4.733 1.00 7.13 H new ATOM 656 N ARG A 42 -6.106 3.571 1.667 1.00 5.73 N ATOM 657 CA ARG A 42 -5.072 4.147 2.530 1.00 6.97 C ATOM 658 C ARG A 42 -4.014 3.160 3.059 1.00 7.15 C ATOM 659 O ARG A 42 -4.360 2.293 3.846 1.00 7.33 O ATOM 660 CB ARG A 42 -5.658 4.794 3.763 1.00 13.23 C ATOM 661 CG ARG A 42 -6.016 6.276 3.601 1.00 21.27 C ATOM 662 CD ARG A 42 -6.100 6.963 4.963 1.00 26.14 C ATOM 663 NE ARG A 42 -6.564 8.300 4.572 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.931 9.143 5.568 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.091 8.696 6.781 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.182 10.411 5.355 1.00 36.39 N ATOM 0 H ARG A 42 -6.792 3.042 2.205 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.593 4.860 1.859 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.556 4.247 4.052 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.946 4.694 4.582 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.266 6.771 2.984 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.969 6.370 3.081 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.798 6.464 5.635 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.136 6.993 5.470 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.608 8.582 3.593 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -6.940 7.708 6.984 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.367 9.334 7.527 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.104 10.795 4.413 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.456 11.014 6.131 1.00 36.39 H new ATOM 680 N LEU A 43 -2.803 3.330 2.552 1.00 4.65 N ATOM 681 CA LEU A 43 -1.695 2.532 2.855 1.00 3.51 C ATOM 682 C LEU A 43 -0.850 3.150 3.958 1.00 5.56 C ATOM 683 O LEU A 43 -0.473 4.321 3.943 1.00 4.19 O ATOM 684 CB LEU A 43 -0.816 2.319 1.618 1.00 3.74 C ATOM 685 CG LEU A 43 -1.444 1.479 0.531 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.712 1.622 -0.782 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.541 0.038 1.018 1.00 6.41 C ATOM 0 H LEU A 43 -2.588 4.074 1.888 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.081 1.572 3.197 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.557 3.293 1.202 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.116 1.848 1.929 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.454 1.835 0.326 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.195 1.002 -1.537 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.735 2.664 -1.100 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.323 1.303 -0.658 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.993 -0.579 0.241 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.543 -0.337 1.245 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.156 -0.002 1.917 1.00 6.41 H new ATOM 699 N ILE A 44 -0.627 2.378 5.057 1.00 4.58 N ATOM 700 CA ILE A 44 -0.251 2.808 6.374 1.00 5.55 C ATOM 701 C ILE A 44 0.900 2.040 6.806 1.00 5.46 C ATOM 702 O ILE A 44 0.916 0.813 7.017 1.00 6.04 O ATOM 703 CB ILE A 44 -1.427 2.676 7.392 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.791 3.219 7.026 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.956 3.138 8.819 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.836 4.697 6.621 1.00 13.90 C ATOM 0 H ILE A 44 -0.721 1.363 5.009 1.00 4.58 H new ATOM 0 HA ILE A 44 0.005 3.867 6.336 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.646 1.608 7.372 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.189 2.625 6.204 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.458 3.074 7.876 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.782 3.043 9.523 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.125 2.514 9.148 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.633 4.178 8.777 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.861 4.977 6.380 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.476 5.311 7.446 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.202 4.855 5.748 1.00 13.90 H new ATOM 718 N PHE A 45 2.060 2.721 6.956 1.00 6.75 N ATOM 719 CA PHE A 45 3.295 2.245 7.530 1.00 4.70 C ATOM 720 C PHE A 45 4.066 3.312 8.314 1.00 6.34 C ATOM 721 O PHE A 45 4.052 4.455 7.863 1.00 5.45 O ATOM 722 CB PHE A 45 4.153 1.491 6.403 1.00 5.51 C ATOM 723 CG PHE A 45 5.502 0.888 6.945 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.542 -0.231 7.769 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.694 1.534 6.565 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.725 -0.625 8.340 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.905 1.090 7.113 1.00 6.64 C ATOM 728 CZ PHE A 45 7.932 0.041 8.004 1.00 6.84 C ATOM 0 H PHE A 45 2.140 3.690 6.648 1.00 6.75 H new ATOM 0 HA PHE A 45 3.056 1.514 8.303 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.551 0.689 5.974 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.374 2.190 5.596 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.639 -0.792 7.960 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.675 2.356 5.865 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.738 -1.442 9.046 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.828 1.576 6.833 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.867 -0.273 8.445 1.00 6.84 H new ATOM 738 N ALA A 46 4.637 3.017 9.553 1.00 6.53 N ATOM 739 CA ALA A 46 5.275 3.944 10.432 1.00 7.15 C ATOM 740 C ALA A 46 4.294 5.125 10.835 1.00 9.00 C ATOM 741 O ALA A 46 4.769 6.243 11.122 1.00 11.15 O ATOM 742 CB ALA A 46 6.533 4.571 9.746 1.00 8.99 C ATOM 0 H ALA A 46 4.634 2.069 9.929 1.00 6.53 H new ATOM 0 HA ALA A 46 5.566 3.391 11.325 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.007 5.275 10.430 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.240 3.781 9.491 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.230 5.094 8.839 1.00 8.99 H new ATOM 748 N GLY A 47 2.992 4.771 10.851 1.00 9.35 N ATOM 749 CA GLY A 47 1.928 5.684 11.243 1.00 11.68 C ATOM 750 C GLY A 47 1.463 6.710 10.181 1.00 11.14 C ATOM 751 O GLY A 47 0.522 7.495 10.346 1.00 13.93 O ATOM 0 H GLY A 47 2.662 3.842 10.591 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.064 5.091 11.543 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.259 6.233 12.124 1.00 11.68 H new ATOM 755 N LYS A 48 2.133 6.687 9.040 1.00 10.47 N ATOM 756 CA LYS A 48 1.942 7.562 7.981 1.00 8.82 C ATOM 757 C LYS A 48 1.045 6.994 6.961 1.00 7.68 C ATOM 758 O LYS A 48 1.087 5.812 6.619 1.00 6.47 O ATOM 759 CB LYS A 48 3.324 7.932 7.355 1.00 9.74 C ATOM 760 CG LYS A 48 4.430 8.236 8.347 1.00 14.14 C ATOM 761 CD LYS A 48 5.728 8.785 7.704 1.00 16.32 C ATOM 762 CE LYS A 48 6.737 9.286 8.718 1.00 20.04 C ATOM 763 NZ LYS A 48 7.981 9.646 8.046 1.00 23.92 N ATOM 0 H LYS A 48 2.863 5.999 8.854 1.00 10.47 H new ATOM 0 HA LYS A 48 1.464 8.464 8.363 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.647 7.108 6.718 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.190 8.800 6.709 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.062 8.962 9.072 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.668 7.326 8.899 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.187 8.000 7.103 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.472 9.598 7.025 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.336 10.151 9.246 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.927 8.516 9.466 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.668 9.989 8.748 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.368 8.811 7.561 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.795 10.395 7.349 1.00 23.92 H new ATOM 777 N GLN A 49 0.177 7.945 6.395 1.00 8.89 N ATOM 778 CA GLN A 49 -0.506 7.646 5.181 1.00 7.18 C ATOM 779 C GLN A 49 0.447 7.902 3.964 1.00 8.23 C ATOM 780 O GLN A 49 0.987 9.014 3.761 1.00 9.70 O ATOM 781 CB GLN A 49 -1.827 8.429 5.101 1.00 11.67 C ATOM 782 CG GLN A 49 -1.588 9.974 5.190 1.00 15.82 C ATOM 783 CD GLN A 49 -2.818 10.825 5.240 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.956 11.740 4.460 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.729 10.549 6.219 1.00 20.67 N ATOM 0 H GLN A 49 -0.017 8.866 6.789 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.779 6.591 5.153 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.335 8.192 4.166 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.486 8.115 5.910 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -0.992 10.179 6.079 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -0.993 10.280 4.330 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.573 9.767 6.855 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.566 11.124 6.314 1.00 20.67 H new ATOM 794 N LEU A 50 0.706 6.769 3.242 1.00 6.51 N ATOM 795 CA LEU A 50 1.648 6.769 2.136 1.00 7.41 C ATOM 796 C LEU A 50 1.070 7.445 0.909 1.00 8.27 C ATOM 797 O LEU A 50 -0.013 6.996 0.477 1.00 8.34 O ATOM 798 CB LEU A 50 2.179 5.383 1.743 1.00 7.13 C ATOM 799 CG LEU A 50 2.724 4.480 2.903 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.048 2.987 2.514 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.005 5.096 3.525 1.00 9.11 C ATOM 0 H LEU A 50 0.268 5.866 3.423 1.00 6.51 H new ATOM 0 HA LEU A 50 2.498 7.337 2.514 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.378 4.842 1.240 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.978 5.519 1.014 1.00 7.13 H new ATOM 0 HG LEU A 50 1.897 4.449 3.612 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.418 2.455 3.390 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.143 2.501 2.149 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.808 2.971 1.733 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.365 4.453 4.328 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.775 5.186 2.758 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.776 6.083 3.926 1.00 9.11 H new ATOM 813 N GLU A 51 1.729 8.526 0.397 1.00 9.43 N ATOM 814 CA GLU A 51 1.170 9.339 -0.725 1.00 11.90 C ATOM 815 C GLU A 51 1.274 8.775 -2.127 1.00 11.49 C ATOM 816 O GLU A 51 2.368 8.394 -2.555 1.00 9.88 O ATOM 817 CB GLU A 51 1.662 10.822 -0.738 1.00 16.56 C ATOM 818 CG GLU A 51 1.031 11.786 0.280 1.00 26.06 C ATOM 819 CD GLU A 51 1.698 13.213 0.202 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.374 13.946 -0.790 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.482 13.623 1.149 1.00 33.44 O ATOM 0 H GLU A 51 2.634 8.850 0.738 1.00 9.43 H new ATOM 0 HA GLU A 51 0.111 9.293 -0.469 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.740 10.821 -0.577 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.489 11.225 -1.736 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.039 11.871 0.090 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.145 11.383 1.286 1.00 26.06 H new ATOM 828 N ASP A 52 0.217 8.818 -2.904 1.00 12.71 N ATOM 829 CA ASP A 52 0.064 8.246 -4.227 1.00 16.56 C ATOM 830 C ASP A 52 1.136 8.480 -5.244 1.00 15.83 C ATOM 831 O ASP A 52 1.394 7.606 -6.003 1.00 17.21 O ATOM 832 CB ASP A 52 -1.280 8.570 -4.851 1.00 21.05 C ATOM 833 CG ASP A 52 -1.509 10.039 -5.016 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.000 10.704 -4.088 1.00 28.37 O ATOM 835 OD2 ASP A 52 -1.226 10.581 -6.097 1.00 25.82 O ATOM 0 H ASP A 52 -0.633 9.295 -2.603 1.00 12.71 H new ATOM 0 HA ASP A 52 0.153 7.188 -3.980 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.348 8.086 -5.825 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -2.073 8.152 -4.231 1.00 21.05 H new ATOM 840 N GLY A 53 1.709 9.726 -5.339 1.00 15.00 N ATOM 841 CA GLY A 53 2.703 10.156 -6.369 1.00 11.77 C ATOM 842 C GLY A 53 4.102 9.926 -5.921 1.00 11.10 C ATOM 843 O GLY A 53 5.081 10.279 -6.602 1.00 11.25 O ATOM 0 H GLY A 53 1.482 10.473 -4.682 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.524 9.610 -7.296 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.562 11.214 -6.590 1.00 11.77 H new ATOM 847 N ARG A 54 4.271 9.320 -4.784 1.00 8.53 N ATOM 848 CA ARG A 54 5.550 9.015 -4.291 1.00 9.05 C ATOM 849 C ARG A 54 5.911 7.587 -4.491 1.00 8.96 C ATOM 850 O ARG A 54 5.027 6.749 -4.689 1.00 11.60 O ATOM 851 CB ARG A 54 5.625 9.256 -2.830 1.00 7.97 C ATOM 852 CG ARG A 54 5.446 10.738 -2.411 1.00 9.62 C ATOM 853 CD ARG A 54 6.723 11.615 -2.508 1.00 12.20 C ATOM 854 NE ARG A 54 6.387 12.904 -1.818 1.00 18.23 N ATOM 855 CZ ARG A 54 6.998 14.079 -2.067 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.998 14.268 -2.887 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.527 15.210 -1.476 1.00 23.38 N ATOM 0 H ARG A 54 3.506 9.026 -4.177 1.00 8.53 H new ATOM 0 HA ARG A 54 6.234 9.658 -4.845 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.859 8.657 -2.336 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.590 8.903 -2.466 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.671 11.184 -3.035 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.083 10.766 -1.384 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.571 11.125 -2.030 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.000 11.789 -3.548 1.00 12.20 H new ATOM 0 HE ARG A 54 5.648 12.890 -1.115 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.385 13.482 -3.409 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.391 15.202 -3.005 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.721 15.162 -0.853 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.980 16.106 -1.656 1.00 23.38 H new ATOM 871 N THR A 55 7.213 7.284 -4.462 1.00 9.05 N ATOM 872 CA THR A 55 7.820 5.968 -4.338 1.00 9.03 C ATOM 873 C THR A 55 7.849 5.273 -2.906 1.00 8.15 C ATOM 874 O THR A 55 7.687 5.874 -1.869 1.00 5.91 O ATOM 875 CB THR A 55 9.179 5.901 -4.936 1.00 11.15 C ATOM 876 OG1 THR A 55 10.167 6.657 -4.215 1.00 11.95 O ATOM 877 CG2 THR A 55 9.089 6.539 -6.358 1.00 11.71 C ATOM 0 H THR A 55 7.920 8.016 -4.531 1.00 9.05 H new ATOM 0 HA THR A 55 7.103 5.380 -4.911 1.00 9.03 H new ATOM 0 HB THR A 55 9.483 4.854 -4.928 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.729 7.382 -3.722 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.070 6.509 -6.833 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.376 5.980 -6.963 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.759 7.574 -6.272 1.00 11.71 H new ATOM 885 N LEU A 56 8.125 3.960 -2.962 1.00 6.91 N ATOM 886 CA LEU A 56 8.431 3.162 -1.807 1.00 8.29 C ATOM 887 C LEU A 56 9.706 3.634 -1.107 1.00 8.05 C ATOM 888 O LEU A 56 9.775 3.796 0.101 1.00 10.17 O ATOM 889 CB LEU A 56 8.464 1.690 -2.110 1.00 6.60 C ATOM 890 CG LEU A 56 7.042 1.010 -2.342 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.288 -0.305 -3.042 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.076 0.956 -1.183 1.00 8.64 C ATOM 0 H LEU A 56 8.137 3.433 -3.835 1.00 6.91 H new ATOM 0 HA LEU A 56 7.609 3.309 -1.107 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.073 1.533 -3.000 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.963 1.178 -1.288 1.00 6.60 H new ATOM 0 HG LEU A 56 6.460 1.682 -2.972 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.336 -0.806 -3.221 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.787 -0.123 -3.994 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.919 -0.937 -2.417 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.156 0.465 -1.499 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.523 0.395 -0.362 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.850 1.969 -0.850 1.00 8.64 H new ATOM 904 N SER A 57 10.779 3.961 -1.845 1.00 8.92 N ATOM 905 CA SER A 57 12.018 4.556 -1.338 1.00 9.00 C ATOM 906 C SER A 57 11.974 6.000 -0.948 1.00 9.44 C ATOM 907 O SER A 57 12.915 6.642 -0.525 1.00 10.91 O ATOM 908 CB SER A 57 13.205 4.215 -2.266 1.00 10.32 C ATOM 909 OG SER A 57 13.023 4.904 -3.488 1.00 13.59 O ATOM 0 H SER A 57 10.804 3.810 -2.853 1.00 8.92 H new ATOM 0 HA SER A 57 12.169 4.079 -0.370 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.147 4.507 -1.801 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.255 3.140 -2.440 1.00 10.32 H new ATOM 0 HG SER A 57 12.438 4.381 -4.074 1.00 13.59 H new ATOM 915 N ASP A 58 10.790 6.671 -0.997 1.00 9.11 N ATOM 916 CA ASP A 58 10.575 7.960 -0.261 1.00 7.91 C ATOM 917 C ASP A 58 10.183 7.705 1.200 1.00 9.12 C ATOM 918 O ASP A 58 10.262 8.540 2.097 1.00 8.61 O ATOM 919 CB ASP A 58 9.452 8.739 -0.804 1.00 8.41 C ATOM 920 CG ASP A 58 9.815 9.318 -2.164 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.449 10.366 -2.123 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.239 8.950 -3.180 1.00 11.70 O ATOM 0 H ASP A 58 9.979 6.352 -1.527 1.00 9.11 H new ATOM 0 HA ASP A 58 11.519 8.495 -0.361 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.571 8.103 -0.896 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.194 9.544 -0.116 1.00 8.41 H new ATOM 927 N TYR A 59 9.702 6.462 1.512 1.00 7.97 N ATOM 928 CA TYR A 59 9.282 6.006 2.843 1.00 8.45 C ATOM 929 C TYR A 59 10.231 4.970 3.359 1.00 10.98 C ATOM 930 O TYR A 59 10.064 4.539 4.503 1.00 12.95 O ATOM 931 CB TYR A 59 7.848 5.347 2.623 1.00 7.94 C ATOM 932 CG TYR A 59 6.931 6.577 2.326 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.650 7.478 3.401 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.247 6.775 1.093 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.703 8.529 3.232 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.438 7.854 0.929 1.00 6.52 C ATOM 937 CZ TYR A 59 5.052 8.697 1.980 1.00 6.76 C ATOM 938 OH TYR A 59 4.164 9.701 1.743 1.00 7.63 O ATOM 0 H TYR A 59 9.599 5.735 0.804 1.00 7.97 H new ATOM 0 HA TYR A 59 9.261 6.824 3.563 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.853 4.639 1.794 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.516 4.801 3.506 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.159 7.361 4.346 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.371 6.067 0.287 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.481 9.195 4.052 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.073 8.074 -0.063 1.00 6.52 H new ATOM 0 HH TYR A 59 4.258 10.009 0.818 1.00 7.63 H new ATOM 948 N ASN A 60 11.231 4.633 2.500 1.00 12.38 N ATOM 949 CA ASN A 60 12.250 3.632 2.722 1.00 13.94 C ATOM 950 C ASN A 60 11.808 2.239 3.201 1.00 14.16 C ATOM 951 O ASN A 60 12.207 1.665 4.196 1.00 14.26 O ATOM 952 CB ASN A 60 13.429 4.242 3.636 1.00 19.23 C ATOM 953 CG ASN A 60 13.914 5.578 3.039 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.415 6.630 3.525 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.699 5.578 1.976 1.00 24.09 N ATOM 0 H ASN A 60 11.332 5.090 1.594 1.00 12.38 H new ATOM 0 HA ASN A 60 12.611 3.403 1.719 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.070 4.397 4.653 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.258 3.537 3.694 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.926 6.456 1.510 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.078 4.700 1.622 1.00 24.09 H new ATOM 962 N ILE A 61 10.848 1.703 2.425 1.00 11.08 N ATOM 963 CA ILE A 61 10.272 0.397 2.783 1.00 11.78 C ATOM 964 C ILE A 61 11.297 -0.676 2.371 1.00 13.74 C ATOM 965 O ILE A 61 11.785 -0.651 1.232 1.00 14.60 O ATOM 966 CB ILE A 61 8.842 0.219 2.238 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.906 1.326 2.861 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.350 -1.283 2.502 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.402 1.153 2.667 1.00 11.42 C ATOM 0 H ILE A 61 10.469 2.133 1.581 1.00 11.08 H new ATOM 0 HA ILE A 61 10.112 0.304 3.857 1.00 11.78 H new ATOM 0 HB ILE A 61 8.809 0.361 1.158 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.106 1.375 3.931 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.193 2.289 2.439 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.338 -1.408 2.116 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.019 -1.979 1.997 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.357 -1.485 3.573 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.876 1.981 3.143 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.172 1.141 1.602 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.083 0.213 3.118 1.00 11.42 H new ATOM 981 N GLN A 62 11.501 -1.681 3.204 1.00 13.97 N ATOM 982 CA GLN A 62 12.664 -2.556 3.183 1.00 15.52 C ATOM 983 C GLN A 62 12.096 -3.977 3.134 1.00 13.94 C ATOM 984 O GLN A 62 11.139 -4.223 3.862 1.00 12.15 O ATOM 985 CB GLN A 62 13.664 -2.271 4.295 1.00 19.53 C ATOM 986 CG GLN A 62 14.973 -3.148 4.386 1.00 26.38 C ATOM 987 CD GLN A 62 15.975 -2.456 5.384 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.940 -2.751 6.578 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.929 -1.638 4.839 1.00 32.71 N ATOM 0 H GLN A 62 10.838 -1.920 3.941 1.00 13.97 H new ATOM 0 HA GLN A 62 13.293 -2.385 2.309 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.971 -1.229 4.203 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.137 -2.366 5.244 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.731 -4.154 4.730 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.430 -3.249 3.401 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.910 -1.427 3.841 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.658 -1.240 5.431 1.00 32.71 H new ATOM 998 N LYS A 63 12.602 -4.890 2.343 1.00 11.73 N ATOM 999 CA LYS A 63 12.205 -6.280 2.156 1.00 11.97 C ATOM 1000 C LYS A 63 11.634 -7.101 3.345 1.00 10.41 C ATOM 1001 O LYS A 63 12.194 -7.173 4.467 1.00 9.59 O ATOM 1002 CB LYS A 63 13.398 -7.112 1.453 1.00 13.73 C ATOM 1003 CG LYS A 63 14.643 -7.455 2.292 1.00 16.98 C ATOM 1004 CD LYS A 63 15.466 -8.516 1.523 1.00 20.19 C ATOM 1005 CE LYS A 63 16.618 -9.253 2.334 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.182 -9.551 3.693 1.00 25.97 N ATOM 0 H LYS A 63 13.393 -4.659 1.742 1.00 11.73 H new ATOM 0 HA LYS A 63 11.323 -6.157 1.528 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.978 -8.048 1.084 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.730 -6.546 0.582 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.242 -6.561 2.466 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.349 -7.837 3.270 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.778 -9.273 1.146 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.916 -8.034 0.655 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.895 -10.176 1.825 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.509 -8.625 2.362 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.875 -10.176 4.151 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.103 -8.666 4.234 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.256 -10.023 3.665 1.00 25.97 H new ATOM 1020 N GLU A 64 10.423 -7.736 3.160 1.00 10.04 N ATOM 1021 CA GLU A 64 9.622 -8.420 4.201 1.00 10.94 C ATOM 1022 C GLU A 64 9.022 -7.584 5.281 1.00 9.74 C ATOM 1023 O GLU A 64 8.482 -8.086 6.249 1.00 9.42 O ATOM 1024 CB GLU A 64 10.311 -9.632 4.925 1.00 18.31 C ATOM 1025 CG GLU A 64 10.410 -10.804 3.983 1.00 24.16 C ATOM 1026 CD GLU A 64 10.878 -12.074 4.685 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.005 -12.745 5.268 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.081 -12.356 4.691 1.00 31.72 O ATOM 0 H GLU A 64 9.977 -7.777 2.243 1.00 10.04 H new ATOM 0 HA GLU A 64 8.828 -8.765 3.538 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.305 -9.345 5.267 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.738 -9.912 5.809 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.437 -10.982 3.525 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.102 -10.561 3.177 1.00 24.16 H new ATOM 1035 N SER A 65 8.987 -6.223 5.130 1.00 6.85 N ATOM 1036 CA SER A 65 8.265 -5.312 5.962 1.00 6.90 C ATOM 1037 C SER A 65 6.791 -5.494 5.977 1.00 4.72 C ATOM 1038 O SER A 65 6.161 -5.981 5.008 1.00 3.91 O ATOM 1039 CB SER A 65 8.567 -3.775 5.711 1.00 7.28 C ATOM 1040 OG SER A 65 8.179 -2.918 6.780 1.00 10.56 O ATOM 0 H SER A 65 9.495 -5.750 4.382 1.00 6.85 H new ATOM 0 HA SER A 65 8.662 -5.591 6.938 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.635 -3.651 5.532 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.053 -3.459 4.803 1.00 7.28 H new ATOM 0 HG SER A 65 7.511 -2.277 6.459 1.00 10.56 H new ATOM 1046 N THR A 66 6.117 -5.092 7.052 1.00 4.48 N ATOM 1047 CA THR A 66 4.680 -5.325 7.281 1.00 3.80 C ATOM 1048 C THR A 66 4.023 -4.024 7.310 1.00 4.60 C ATOM 1049 O THR A 66 4.413 -3.135 8.083 1.00 5.33 O ATOM 1050 CB THR A 66 4.310 -6.042 8.615 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.029 -7.248 8.700 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.846 -6.490 8.619 1.00 3.40 C ATOM 0 H THR A 66 6.562 -4.580 7.814 1.00 4.48 H new ATOM 0 HA THR A 66 4.359 -5.986 6.476 1.00 3.80 H new ATOM 0 HB THR A 66 4.521 -5.340 9.421 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.804 -7.705 9.537 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.620 -6.986 9.563 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.199 -5.621 8.502 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.675 -7.183 7.795 1.00 3.40 H new ATOM 1060 N LEU A 67 3.018 -3.810 6.445 1.00 4.17 N ATOM 1061 CA LEU A 67 2.358 -2.610 6.189 1.00 3.85 C ATOM 1062 C LEU A 67 0.826 -2.832 6.488 1.00 3.80 C ATOM 1063 O LEU A 67 0.317 -3.932 6.306 1.00 5.54 O ATOM 1064 CB LEU A 67 2.556 -2.118 4.715 1.00 7.18 C ATOM 1065 CG LEU A 67 3.981 -2.351 4.059 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.915 -1.608 2.713 1.00 8.12 C ATOM 1067 CD2 LEU A 67 5.258 -1.935 4.778 1.00 11.66 C ATOM 0 H LEU A 67 2.646 -4.571 5.877 1.00 4.17 H new ATOM 0 HA LEU A 67 2.777 -1.834 6.829 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.812 -2.613 4.091 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.340 -1.050 4.683 1.00 7.18 H new ATOM 0 HG LEU A 67 4.105 -3.434 4.046 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.865 -1.718 2.190 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.115 -2.029 2.104 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.718 -0.551 2.890 1.00 8.12 H new ATOM 0 HD21 LEU A 67 6.121 -2.182 4.159 1.00 11.66 H new ATOM 0 HD22 LEU A 67 5.239 -0.861 4.962 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.329 -2.464 5.728 1.00 11.66 H new ATOM 1079 N HIS A 68 0.083 -1.828 6.898 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.284 -1.854 7.223 1.00 4.17 C ATOM 1081 C HIS A 68 -2.106 -1.223 6.062 1.00 5.32 C ATOM 1082 O HIS A 68 -1.750 -0.145 5.570 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.587 -1.058 8.513 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.172 -1.803 9.766 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -2.004 -2.732 10.365 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.007 -1.857 10.477 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.305 -3.377 11.346 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.107 -2.826 11.474 1.00 16.30 N ATOM 0 H HIS A 68 0.480 -0.896 7.016 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.560 -2.897 7.382 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.068 -0.100 8.475 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.654 -0.841 8.560 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.861 -1.241 10.294 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -1.673 -4.209 11.928 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.603 -3.064 12.166 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.178 -1.882 5.586 1.00 5.29 N ATOM 1097 CA LEU A 69 -3.990 -1.382 4.489 1.00 3.97 C ATOM 1098 C LEU A 69 -5.321 -1.074 5.151 1.00 5.07 C ATOM 1099 O LEU A 69 -6.013 -1.927 5.677 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.115 -2.392 3.335 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.293 -2.189 2.315 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.226 -0.815 1.636 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.366 -3.205 1.238 1.00 9.96 C ATOM 0 H LEU A 69 -3.496 -2.776 5.959 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.552 -0.508 4.006 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.180 -2.380 2.775 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.214 -3.387 3.769 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.183 -2.286 2.937 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.057 -0.713 0.938 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.289 -0.032 2.392 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.284 -0.722 1.095 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.209 -2.982 0.584 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.443 -3.188 0.658 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.499 -4.193 1.678 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.752 0.214 4.980 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.027 0.678 5.505 1.00 6.26 C ATOM 1117 C VAL A 70 -7.915 0.968 4.293 1.00 9.22 C ATOM 1118 O VAL A 70 -7.564 1.739 3.414 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.773 1.944 6.342 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.131 2.667 6.655 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.145 1.645 7.640 1.00 8.54 C ATOM 0 H VAL A 70 -5.220 0.928 4.482 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.514 -0.055 6.148 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.106 2.569 5.748 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.939 3.561 7.248 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.617 2.948 5.721 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.781 1.994 7.214 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.988 2.573 8.190 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.796 0.987 8.216 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.186 1.154 7.476 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.143 0.400 4.225 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.208 0.660 3.281 1.00 16.06 C ATOM 1133 C LEU A 71 -10.909 1.926 3.748 1.00 18.09 C ATOM 1134 O LEU A 71 -11.370 1.986 4.921 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.198 -0.540 3.298 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.168 -0.696 2.006 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.823 -2.077 2.108 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -13.260 0.397 1.963 1.00 19.57 C ATOM 0 H LEU A 71 -9.418 -0.314 4.900 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.830 0.784 2.266 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -10.620 -1.458 3.404 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.824 -0.454 4.186 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.582 -0.589 1.093 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.487 -2.228 1.257 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.051 -2.847 2.107 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.397 -2.140 3.032 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -13.885 0.253 1.082 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.876 0.331 2.860 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -12.790 1.379 1.917 1.00 19.57 H new