USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 126:sc= 1.19 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.414 USER MOD Single : A 1 MET CE :methyl -134:sc= -0.168 (180deg=-1.57) USER MOD Single : A 1 MET N :NH3+ -159:sc= 2.3 (180deg=1.39) USER MOD Single : A 2 GLN : amide:sc= -0.022 X(o=-0.022,f=-0.014) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -104:sc= 0.938 (180deg=-0.973!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -52:sc= 0.0556 USER MOD Single : A 20 SER OG : rot 180:sc= 0.109 USER MOD Single : A 22 THR OG1 : rot -170:sc= 0.158 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 1.49 (180deg=1.49) USER MOD Single : A 29 LYS NZ :NH3+ -112:sc= 0.698 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0269 X(o=-0.027,f=0) 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=-0.54) USER MOD Single : A 41 GLN : amide:sc= 0.0143 K(o=0.014,f=-1.5) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.16) USER MOD Single : A 49 GLN : amide:sc= -0.246 K(o=-0.25,f=-0.85) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0642 USER MOD Single : A 57 SER OG : rot -45:sc= 0.117 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.586 USER MOD Single : A 60 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.21) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 102:sc= 1.26 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=-0.074) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.619 -4.856 -4.157 1.00 0.78 N ATOM 2 CA MET A 1 12.374 -5.022 -2.707 1.00 0.70 C ATOM 3 C MET A 1 11.054 -5.593 -2.315 1.00 0.62 C ATOM 4 O MET A 1 10.040 -5.461 -2.998 1.00 0.68 O ATOM 5 CB MET A 1 12.759 -3.774 -1.896 1.00 0.75 C ATOM 6 CG MET A 1 11.583 -2.806 -1.752 1.00 0.79 C ATOM 7 SD MET A 1 11.937 -1.104 -1.219 1.00 1.10 S ATOM 8 CE MET A 1 10.382 -0.750 -0.349 1.00 0.84 C ATOM 0 H1 MET A 1 13.643 -4.800 -4.332 1.00 0.78 H new ATOM 0 H2 MET A 1 12.224 -5.669 -4.671 1.00 0.78 H new ATOM 0 H3 MET A 1 12.163 -3.982 -4.488 1.00 0.78 H new ATOM 0 HA MET A 1 13.065 -5.818 -2.428 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.105 -4.075 -0.907 1.00 0.75 H new ATOM 0 HB3 MET A 1 13.591 -3.266 -2.384 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.073 -2.755 -2.714 1.00 0.79 H new ATOM 0 HG3 MET A 1 10.880 -3.239 -1.041 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.015 0.233 -0.645 1.00 0.84 H new ATOM 0 HE2 MET A 1 9.641 -1.507 -0.606 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.556 -0.763 0.727 1.00 0.84 H new ATOM 20 N GLN A 2 10.942 -6.395 -1.241 1.00 0.59 N ATOM 21 CA GLN A 2 9.783 -7.169 -0.924 1.00 0.56 C ATOM 22 C GLN A 2 9.068 -6.460 0.175 1.00 0.50 C ATOM 23 O GLN A 2 9.618 -6.342 1.269 1.00 0.60 O ATOM 24 CB GLN A 2 10.373 -8.510 -0.457 1.00 0.71 C ATOM 25 CG GLN A 2 9.415 -9.602 0.022 1.00 1.15 C ATOM 26 CD GLN A 2 10.161 -10.798 0.594 1.00 1.30 C ATOM 27 OE1 GLN A 2 11.005 -10.708 1.485 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.845 -11.963 -0.032 1.00 1.72 N ATOM 0 H GLN A 2 11.695 -6.509 -0.562 1.00 0.59 H new ATOM 0 HA GLN A 2 9.073 -7.313 -1.738 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.957 -8.920 -1.281 1.00 0.71 H new ATOM 0 HB3 GLN A 2 11.070 -8.301 0.355 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.748 -9.193 0.781 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.790 -9.927 -0.810 1.00 1.15 H new ATOM 0 HE21 GLN A 2 9.135 -11.972 -0.764 1.00 1.72 H new ATOM 0 HE22 GLN A 2 10.318 -12.828 0.231 1.00 1.72 H new ATOM 37 N ILE A 3 7.868 -5.922 -0.103 1.00 0.44 N ATOM 38 CA ILE A 3 6.968 -5.399 0.876 1.00 0.42 C ATOM 39 C ILE A 3 5.684 -6.155 0.894 1.00 0.40 C ATOM 40 O ILE A 3 5.400 -6.810 -0.108 1.00 0.50 O ATOM 41 CB ILE A 3 6.670 -3.940 0.688 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.149 -3.569 -0.711 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.900 -3.073 1.008 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.458 -2.209 -0.790 1.00 0.72 C ATOM 0 H ILE A 3 7.509 -5.848 -1.055 1.00 0.44 H new ATOM 0 HA ILE A 3 7.482 -5.517 1.830 1.00 0.42 H new ATOM 0 HB ILE A 3 5.864 -3.735 1.393 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.985 -3.579 -1.410 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.449 -4.337 -1.040 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.652 -2.022 0.862 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.200 -3.235 2.043 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.721 -3.347 0.345 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.123 -2.030 -1.812 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.599 -2.198 -0.119 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.158 -1.427 -0.496 1.00 0.72 H new ATOM 56 N PHE A 4 4.994 -6.152 2.049 1.00 0.37 N ATOM 57 CA PHE A 4 3.768 -6.887 2.090 1.00 0.38 C ATOM 58 C PHE A 4 2.569 -6.043 2.357 1.00 0.39 C ATOM 59 O PHE A 4 2.605 -5.162 3.214 1.00 0.60 O ATOM 60 CB PHE A 4 3.783 -7.893 3.255 1.00 0.45 C ATOM 61 CG PHE A 4 4.896 -8.854 3.014 1.00 0.51 C ATOM 62 CD1 PHE A 4 4.631 -9.829 2.081 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.062 -8.917 3.740 1.00 1.30 C ATOM 64 CE1 PHE A 4 5.569 -10.802 1.823 1.00 1.23 C ATOM 65 CE2 PHE A 4 6.968 -9.925 3.510 1.00 1.40 C ATOM 66 CZ PHE A 4 6.753 -10.853 2.519 1.00 0.85 C ATOM 0 H PHE A 4 5.263 -5.671 2.908 1.00 0.37 H new ATOM 0 HA PHE A 4 3.700 -7.350 1.106 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.924 -7.376 4.204 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.831 -8.420 3.317 1.00 0.45 H new ATOM 0 HD1 PHE A 4 3.689 -9.831 1.552 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.267 -8.171 4.494 1.00 1.30 H new ATOM 0 HE1 PHE A 4 5.371 -11.539 1.059 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.860 -9.989 4.116 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.496 -11.604 2.293 1.00 0.85 H new ATOM 76 N VAL A 5 1.462 -6.221 1.615 1.00 0.35 N ATOM 77 CA VAL A 5 0.225 -5.553 1.876 1.00 0.35 C ATOM 78 C VAL A 5 -0.636 -6.594 2.505 1.00 0.35 C ATOM 79 O VAL A 5 -0.926 -7.609 1.875 1.00 0.46 O ATOM 80 CB VAL A 5 -0.337 -4.920 0.637 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.630 -4.148 0.947 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.708 -3.960 0.042 1.00 0.56 C ATOM 0 H VAL A 5 1.426 -6.847 0.811 1.00 0.35 H new ATOM 0 HA VAL A 5 0.325 -4.700 2.548 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.575 -5.707 -0.079 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -2.015 -3.700 0.031 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.373 -4.832 1.356 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.420 -3.364 1.674 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.305 -3.497 -0.859 1.00 0.56 H new ATOM 0 HG22 VAL A 5 0.948 -3.186 0.771 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.612 -4.516 -0.209 1.00 0.56 H new ATOM 92 N LYS A 6 -1.228 -6.328 3.684 1.00 0.36 N ATOM 93 CA LYS A 6 -2.119 -7.293 4.249 1.00 0.39 C ATOM 94 C LYS A 6 -3.502 -6.785 4.026 1.00 0.46 C ATOM 95 O LYS A 6 -3.699 -5.574 4.121 1.00 0.53 O ATOM 96 CB LYS A 6 -1.731 -7.552 5.715 1.00 0.54 C ATOM 97 CG LYS A 6 -0.575 -8.542 5.871 1.00 1.22 C ATOM 98 CD LYS A 6 -0.372 -9.020 7.311 1.00 1.37 C ATOM 99 CE LYS A 6 0.463 -10.293 7.469 1.00 1.93 C ATOM 100 NZ LYS A 6 0.532 -10.795 8.859 1.00 2.09 N ATOM 0 H LYS A 6 -1.097 -5.476 4.230 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.058 -8.274 3.777 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.456 -6.607 6.183 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.600 -7.932 6.252 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -0.758 -9.406 5.232 1.00 1.22 H new ATOM 0 HG3 LYS A 6 0.344 -8.074 5.519 1.00 1.22 H new ATOM 0 HD2 LYS A 6 0.105 -8.220 7.877 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.350 -9.189 7.761 1.00 1.37 H new ATOM 0 HE2 LYS A 6 0.044 -11.072 6.832 1.00 1.93 H new ATOM 0 HE3 LYS A 6 1.475 -10.099 7.112 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 1.113 -11.657 8.888 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 0.959 -10.069 9.469 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.427 -11.012 9.198 1.00 2.09 H new ATOM 114 N THR A 7 -4.406 -7.763 3.846 1.00 0.58 N ATOM 115 CA THR A 7 -5.805 -7.482 3.741 1.00 0.78 C ATOM 116 C THR A 7 -6.545 -7.677 5.020 1.00 0.94 C ATOM 117 O THR A 7 -6.234 -8.570 5.806 1.00 0.99 O ATOM 118 CB THR A 7 -6.599 -8.054 2.605 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.947 -9.419 2.782 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.750 -8.002 1.323 1.00 0.92 C ATOM 0 H THR A 7 -4.168 -8.752 3.773 1.00 0.58 H new ATOM 0 HA THR A 7 -5.733 -6.426 3.482 1.00 0.78 H new ATOM 0 HB THR A 7 -7.511 -7.459 2.552 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.917 -9.524 2.692 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.320 -8.416 0.492 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.487 -6.967 1.103 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.840 -8.585 1.465 1.00 0.92 H new ATOM 128 N LEU A 8 -7.675 -6.968 5.191 1.00 1.17 N ATOM 129 CA LEU A 8 -8.675 -7.140 6.198 1.00 1.39 C ATOM 130 C LEU A 8 -9.232 -8.522 6.249 1.00 1.44 C ATOM 131 O LEU A 8 -9.498 -9.037 7.334 1.00 1.60 O ATOM 132 CB LEU A 8 -9.760 -6.071 5.986 1.00 1.66 C ATOM 133 CG LEU A 8 -9.305 -4.636 6.303 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.259 -3.639 5.624 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.300 -4.433 7.828 1.00 2.43 C ATOM 0 H LEU A 8 -7.909 -6.200 4.561 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.215 -7.005 7.177 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.097 -6.112 4.950 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.620 -6.314 6.611 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.297 -4.468 5.924 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -9.940 -2.621 5.846 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -10.243 -3.797 4.546 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.271 -3.792 5.998 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -8.978 -3.417 8.059 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.304 -4.593 8.220 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.614 -5.144 8.287 1.00 2.43 H new ATOM 147 N THR A 9 -9.421 -9.223 5.117 1.00 1.41 N ATOM 148 CA THR A 9 -10.067 -10.496 5.048 1.00 1.51 C ATOM 149 C THR A 9 -9.177 -11.611 5.479 1.00 1.37 C ATOM 150 O THR A 9 -9.618 -12.538 6.156 1.00 1.62 O ATOM 151 CB THR A 9 -10.631 -10.777 3.687 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.720 -10.473 2.640 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.791 -9.780 3.518 1.00 2.08 C ATOM 0 H THR A 9 -9.108 -8.885 4.207 1.00 1.41 H new ATOM 0 HA THR A 9 -10.898 -10.441 5.751 1.00 1.51 H new ATOM 0 HB THR A 9 -10.896 -11.833 3.626 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.135 -10.675 1.776 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.256 -9.924 2.543 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.531 -9.947 4.301 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.409 -8.762 3.591 1.00 2.08 H new ATOM 161 N GLY A 10 -7.953 -11.566 4.925 1.00 1.18 N ATOM 162 CA GLY A 10 -6.909 -12.403 5.427 1.00 1.22 C ATOM 163 C GLY A 10 -5.866 -12.848 4.461 1.00 0.99 C ATOM 164 O GLY A 10 -5.184 -13.860 4.618 1.00 1.31 O ATOM 0 H GLY A 10 -7.689 -10.963 4.146 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.412 -11.872 6.239 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.368 -13.291 5.861 1.00 1.22 H new ATOM 168 N LYS A 11 -5.695 -12.030 3.408 1.00 0.73 N ATOM 169 CA LYS A 11 -4.744 -12.329 2.383 1.00 0.60 C ATOM 170 C LYS A 11 -3.518 -11.492 2.509 1.00 0.51 C ATOM 171 O LYS A 11 -3.648 -10.429 3.113 1.00 0.63 O ATOM 172 CB LYS A 11 -5.397 -12.205 0.995 1.00 0.75 C ATOM 173 CG LYS A 11 -4.588 -12.908 -0.097 1.00 0.87 C ATOM 174 CD LYS A 11 -5.289 -12.927 -1.457 1.00 1.04 C ATOM 175 CE LYS A 11 -5.316 -11.561 -2.145 1.00 1.30 C ATOM 176 NZ LYS A 11 -6.006 -11.724 -3.444 1.00 1.40 N ATOM 0 H LYS A 11 -6.214 -11.163 3.266 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.420 -13.363 2.505 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.400 -12.629 1.030 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.505 -11.151 0.741 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.623 -12.411 -0.201 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.387 -13.933 0.214 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -4.786 -13.643 -2.107 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -6.312 -13.280 -1.325 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -5.836 -10.831 -1.525 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.303 -11.188 -2.294 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.305 -11.726 -4.212 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.527 -12.624 -3.450 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.672 -10.937 -3.585 1.00 1.40 H new ATOM 190 N THR A 12 -2.350 -11.960 2.031 1.00 0.49 N ATOM 191 CA THR A 12 -1.186 -11.128 2.015 1.00 0.48 C ATOM 192 C THR A 12 -0.817 -10.935 0.585 1.00 0.52 C ATOM 193 O THR A 12 -0.692 -11.950 -0.099 1.00 0.72 O ATOM 194 CB THR A 12 0.013 -11.724 2.692 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.161 -11.835 4.096 1.00 0.77 O ATOM 196 CG2 THR A 12 1.301 -10.902 2.519 1.00 0.78 C ATOM 0 H THR A 12 -2.212 -12.900 1.661 1.00 0.49 H new ATOM 0 HA THR A 12 -1.437 -10.213 2.551 1.00 0.48 H new ATOM 0 HB THR A 12 0.109 -12.696 2.207 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.643 -12.229 4.495 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.122 -11.398 3.037 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.539 -10.818 1.459 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.156 -9.906 2.939 1.00 0.78 H new ATOM 204 N ILE A 13 -0.677 -9.726 0.013 1.00 0.48 N ATOM 205 CA ILE A 13 -0.323 -9.444 -1.343 1.00 0.55 C ATOM 206 C ILE A 13 1.135 -9.137 -1.280 1.00 0.51 C ATOM 207 O ILE A 13 1.523 -8.200 -0.585 1.00 0.56 O ATOM 208 CB ILE A 13 -1.055 -8.289 -1.959 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.565 -8.419 -1.699 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.723 -8.206 -3.459 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.163 -7.015 -1.793 1.00 1.55 C ATOM 0 H ILE A 13 -0.825 -8.871 0.549 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.587 -10.292 -1.975 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.731 -7.356 -1.498 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -3.025 -9.083 -2.431 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.750 -8.851 -0.716 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.256 -7.366 -3.904 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.350 -8.063 -3.587 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.027 -9.130 -3.951 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.237 -7.064 -1.614 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.700 -6.371 -1.045 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.979 -6.607 -2.787 1.00 1.55 H new ATOM 223 N THR A 14 2.061 -9.877 -1.915 1.00 0.55 N ATOM 224 CA THR A 14 3.463 -9.625 -1.784 1.00 0.54 C ATOM 225 C THR A 14 3.898 -8.825 -2.963 1.00 0.55 C ATOM 226 O THR A 14 3.768 -9.286 -4.096 1.00 0.72 O ATOM 227 CB THR A 14 4.380 -10.807 -1.883 1.00 0.67 C ATOM 228 OG1 THR A 14 4.092 -11.711 -0.825 1.00 1.08 O ATOM 229 CG2 THR A 14 5.865 -10.412 -1.803 1.00 1.03 C ATOM 0 H THR A 14 1.834 -10.661 -2.527 1.00 0.55 H new ATOM 0 HA THR A 14 3.543 -9.178 -0.793 1.00 0.54 H new ATOM 0 HB THR A 14 4.210 -11.268 -2.856 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.096 -11.228 0.028 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.484 -11.306 -1.880 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.105 -9.733 -2.621 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.059 -9.917 -0.851 1.00 1.03 H new ATOM 237 N LEU A 15 4.296 -7.553 -2.779 1.00 0.50 N ATOM 238 CA LEU A 15 4.623 -6.658 -3.845 1.00 0.55 C ATOM 239 C LEU A 15 6.098 -6.654 -4.056 1.00 0.52 C ATOM 240 O LEU A 15 6.836 -6.531 -3.079 1.00 0.58 O ATOM 241 CB LEU A 15 4.066 -5.246 -3.597 1.00 0.69 C ATOM 242 CG LEU A 15 2.548 -5.199 -3.358 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.215 -3.725 -3.069 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.663 -5.813 -4.455 1.00 1.55 C ATOM 0 H LEU A 15 4.393 -7.133 -1.855 1.00 0.50 H new ATOM 0 HA LEU A 15 4.146 -7.010 -4.760 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.572 -4.815 -2.733 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.307 -4.617 -4.454 1.00 0.69 H new ATOM 0 HG LEU A 15 2.307 -5.850 -2.518 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.145 -3.622 -2.889 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.764 -3.394 -2.188 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.500 -3.113 -3.925 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.615 -5.719 -4.172 1.00 1.55 H new ATOM 0 HD22 LEU A 15 1.833 -5.289 -5.395 1.00 1.55 H new ATOM 0 HD23 LEU A 15 1.913 -6.867 -4.577 1.00 1.55 H new ATOM 256 N GLU A 16 6.459 -6.534 -5.347 1.00 0.59 N ATOM 257 CA GLU A 16 7.804 -6.221 -5.714 1.00 0.63 C ATOM 258 C GLU A 16 7.845 -4.757 -5.984 1.00 0.65 C ATOM 259 O GLU A 16 7.034 -4.339 -6.810 1.00 0.81 O ATOM 260 CB GLU A 16 8.227 -6.913 -7.021 1.00 0.76 C ATOM 261 CG GLU A 16 9.624 -6.614 -7.567 1.00 1.41 C ATOM 262 CD GLU A 16 10.615 -7.019 -6.486 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.582 -8.227 -6.129 1.00 1.92 O ATOM 264 OE2 GLU A 16 11.398 -6.175 -5.974 1.00 1.95 O ATOM 0 H GLU A 16 5.821 -6.654 -6.134 1.00 0.59 H new ATOM 0 HA GLU A 16 8.466 -6.547 -4.912 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.150 -7.990 -6.870 1.00 0.76 H new ATOM 0 HB3 GLU A 16 7.503 -6.646 -7.791 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.807 -7.170 -8.487 1.00 1.41 H new ATOM 0 HG3 GLU A 16 9.726 -5.556 -7.808 1.00 1.41 H new ATOM 271 N VAL A 17 8.634 -3.937 -5.266 1.00 0.61 N ATOM 272 CA VAL A 17 8.666 -2.516 -5.406 1.00 0.63 C ATOM 273 C VAL A 17 10.074 -2.027 -5.430 1.00 0.65 C ATOM 274 O VAL A 17 11.025 -2.752 -5.145 1.00 0.76 O ATOM 275 CB VAL A 17 7.768 -1.774 -4.460 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.372 -2.421 -4.499 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.284 -1.840 -3.013 1.00 0.92 C ATOM 0 H VAL A 17 9.279 -4.282 -4.555 1.00 0.61 H new ATOM 0 HA VAL A 17 8.226 -2.281 -6.375 1.00 0.63 H new ATOM 0 HB VAL A 17 7.739 -0.730 -4.771 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.707 -1.893 -3.816 1.00 0.96 H new ATOM 0 HG12 VAL A 17 5.973 -2.364 -5.512 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.447 -3.466 -4.197 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.606 -1.291 -2.360 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.334 -2.880 -2.692 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.278 -1.396 -2.961 1.00 0.92 H new ATOM 287 N GLU A 18 10.268 -0.727 -5.717 1.00 0.68 N ATOM 288 CA GLU A 18 11.490 0.012 -5.657 1.00 0.74 C ATOM 289 C GLU A 18 11.243 1.205 -4.800 1.00 0.71 C ATOM 290 O GLU A 18 10.099 1.657 -4.758 1.00 0.74 O ATOM 291 CB GLU A 18 12.070 0.469 -7.005 1.00 0.88 C ATOM 292 CG GLU A 18 12.484 -0.624 -7.994 1.00 1.16 C ATOM 293 CD GLU A 18 13.105 -0.174 -9.309 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.274 0.293 -9.288 1.00 2.33 O ATOM 295 OE2 GLU A 18 12.438 -0.465 -10.338 1.00 2.35 O ATOM 0 H GLU A 18 9.492 -0.139 -6.020 1.00 0.68 H new ATOM 0 HA GLU A 18 12.242 -0.667 -5.255 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.331 1.104 -7.493 1.00 0.88 H new ATOM 0 HB3 GLU A 18 12.942 1.091 -6.804 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.194 -1.282 -7.493 1.00 1.16 H new ATOM 0 HG3 GLU A 18 11.603 -1.223 -8.224 1.00 1.16 H new ATOM 302 N PRO A 19 12.192 1.780 -4.124 1.00 0.74 N ATOM 303 CA PRO A 19 11.912 2.798 -3.154 1.00 0.74 C ATOM 304 C PRO A 19 11.596 4.044 -3.907 1.00 0.70 C ATOM 305 O PRO A 19 10.991 4.946 -3.329 1.00 0.74 O ATOM 306 CB PRO A 19 13.193 2.963 -2.338 1.00 0.86 C ATOM 307 CG PRO A 19 14.310 2.412 -3.238 1.00 0.95 C ATOM 308 CD PRO A 19 13.557 1.296 -3.980 1.00 0.82 C ATOM 0 HA PRO A 19 11.077 2.560 -2.495 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.369 4.009 -2.086 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.136 2.414 -1.398 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.704 3.168 -3.918 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.154 2.030 -2.663 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.008 1.097 -4.952 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.586 0.362 -3.418 1.00 0.82 H new ATOM 316 N SER A 20 12.079 4.278 -5.140 1.00 0.70 N ATOM 317 CA SER A 20 11.797 5.476 -5.868 1.00 0.74 C ATOM 318 C SER A 20 10.460 5.530 -6.524 1.00 0.71 C ATOM 319 O SER A 20 10.114 6.571 -7.079 1.00 0.80 O ATOM 320 CB SER A 20 12.833 5.559 -7.002 1.00 0.89 C ATOM 321 OG SER A 20 12.960 4.274 -7.594 1.00 1.45 O ATOM 0 H SER A 20 12.678 3.622 -5.642 1.00 0.70 H new ATOM 0 HA SER A 20 11.826 6.288 -5.142 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.520 6.290 -7.748 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.795 5.893 -6.612 1.00 0.89 H new ATOM 0 HG SER A 20 13.617 4.312 -8.321 1.00 1.45 H new ATOM 327 N ASP A 21 9.708 4.416 -6.470 1.00 0.70 N ATOM 328 CA ASP A 21 8.331 4.419 -6.854 1.00 0.73 C ATOM 329 C ASP A 21 7.486 5.170 -5.883 1.00 0.64 C ATOM 330 O ASP A 21 7.855 5.332 -4.721 1.00 0.66 O ATOM 331 CB ASP A 21 7.828 2.966 -6.873 1.00 0.87 C ATOM 332 CG ASP A 21 8.719 2.095 -7.746 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.115 2.601 -8.830 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.768 0.855 -7.522 1.00 1.50 O ATOM 0 H ASP A 21 10.056 3.509 -6.159 1.00 0.70 H new ATOM 0 HA ASP A 21 8.257 4.896 -7.831 1.00 0.73 H new ATOM 0 HB2 ASP A 21 7.808 2.570 -5.858 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.805 2.936 -7.247 1.00 0.87 H new ATOM 339 N THR A 22 6.300 5.650 -6.297 1.00 0.63 N ATOM 340 CA THR A 22 5.338 6.306 -5.466 1.00 0.58 C ATOM 341 C THR A 22 4.338 5.436 -4.787 1.00 0.53 C ATOM 342 O THR A 22 4.142 4.274 -5.141 1.00 0.58 O ATOM 343 CB THR A 22 4.625 7.441 -6.139 1.00 0.63 C ATOM 344 OG1 THR A 22 3.673 7.055 -7.118 1.00 0.70 O ATOM 345 CG2 THR A 22 5.732 8.269 -6.813 1.00 0.75 C ATOM 0 H THR A 22 5.995 5.576 -7.268 1.00 0.63 H new ATOM 0 HA THR A 22 5.986 6.697 -4.682 1.00 0.58 H new ATOM 0 HB THR A 22 4.047 7.982 -5.390 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.374 7.846 -7.613 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.287 9.120 -7.328 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.430 8.627 -6.057 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.264 7.647 -7.533 1.00 0.75 H new ATOM 353 N ILE A 23 3.593 5.959 -3.796 1.00 0.51 N ATOM 354 CA ILE A 23 2.536 5.247 -3.148 1.00 0.48 C ATOM 355 C ILE A 23 1.450 5.045 -4.148 1.00 0.48 C ATOM 356 O ILE A 23 0.938 3.941 -4.325 1.00 0.51 O ATOM 357 CB ILE A 23 2.067 6.164 -2.056 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.122 6.385 -0.958 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.845 5.484 -1.415 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.687 5.105 -0.343 1.00 0.73 C ATOM 0 H ILE A 23 3.730 6.903 -3.436 1.00 0.51 H new ATOM 0 HA ILE A 23 2.837 4.277 -2.752 1.00 0.48 H new ATOM 0 HB ILE A 23 1.848 7.140 -2.489 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.945 6.964 -1.376 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.679 6.987 -0.165 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.461 6.110 -0.610 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.069 5.345 -2.168 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.138 4.514 -1.012 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.422 5.362 0.420 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.878 4.531 0.110 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.164 4.508 -1.120 1.00 0.73 H new ATOM 372 N GLU A 24 1.159 6.030 -5.017 1.00 0.50 N ATOM 373 CA GLU A 24 0.324 5.840 -6.161 1.00 0.53 C ATOM 374 C GLU A 24 0.684 4.652 -6.986 1.00 0.50 C ATOM 375 O GLU A 24 -0.215 3.870 -7.295 1.00 0.55 O ATOM 376 CB GLU A 24 0.256 7.125 -7.003 1.00 0.64 C ATOM 377 CG GLU A 24 -0.907 7.199 -7.995 1.00 0.95 C ATOM 378 CD GLU A 24 -1.014 8.580 -8.625 1.00 1.05 C ATOM 379 OE1 GLU A 24 -0.025 9.117 -9.191 1.00 1.56 O ATOM 380 OE2 GLU A 24 -2.140 9.143 -8.682 1.00 1.62 O ATOM 0 H GLU A 24 1.513 6.982 -4.921 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.673 5.621 -5.778 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.190 7.978 -6.328 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.190 7.227 -7.556 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.769 6.451 -8.776 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.839 6.958 -7.484 1.00 0.95 H new ATOM 387 N ASN A 25 1.988 4.459 -7.253 1.00 0.51 N ATOM 388 CA ASN A 25 2.567 3.353 -7.950 1.00 0.52 C ATOM 389 C ASN A 25 2.385 2.074 -7.207 1.00 0.47 C ATOM 390 O ASN A 25 2.321 1.016 -7.828 1.00 0.53 O ATOM 391 CB ASN A 25 4.073 3.607 -8.131 1.00 0.64 C ATOM 392 CG ASN A 25 4.633 2.739 -9.248 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.112 1.645 -8.953 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.543 3.122 -10.550 1.00 1.57 N ATOM 0 H ASN A 25 2.694 5.133 -6.956 1.00 0.51 H new ATOM 0 HA ASN A 25 2.065 3.264 -8.914 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.245 4.659 -8.360 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.598 3.394 -7.200 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.874 2.501 -11.288 1.00 1.57 H new ATOM 0 HD22 ASN A 25 4.145 4.030 -10.788 1.00 1.57 H new ATOM 401 N VAL A 26 2.165 2.124 -5.881 1.00 0.45 N ATOM 402 CA VAL A 26 1.907 0.960 -5.092 1.00 0.44 C ATOM 403 C VAL A 26 0.531 0.445 -5.343 1.00 0.40 C ATOM 404 O VAL A 26 0.249 -0.748 -5.438 1.00 0.44 O ATOM 405 CB VAL A 26 2.346 1.020 -3.658 1.00 0.50 C ATOM 406 CG1 VAL A 26 1.921 -0.261 -2.921 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.853 1.312 -3.561 1.00 0.62 C ATOM 0 H VAL A 26 2.166 2.992 -5.346 1.00 0.45 H new ATOM 0 HA VAL A 26 2.590 0.189 -5.449 1.00 0.44 H new ATOM 0 HB VAL A 26 1.847 1.849 -3.157 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.244 -0.207 -1.881 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.836 -0.360 -2.959 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.381 -1.126 -3.400 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.149 1.351 -2.513 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.410 0.523 -4.066 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.069 2.269 -4.035 1.00 0.62 H new ATOM 417 N LYS A 27 -0.445 1.359 -5.488 1.00 0.40 N ATOM 418 CA LYS A 27 -1.829 1.130 -5.764 1.00 0.41 C ATOM 419 C LYS A 27 -2.010 0.655 -7.166 1.00 0.38 C ATOM 420 O LYS A 27 -2.767 -0.257 -7.494 1.00 0.42 O ATOM 421 CB LYS A 27 -2.654 2.400 -5.496 1.00 0.51 C ATOM 422 CG LYS A 27 -2.547 2.895 -4.051 1.00 0.76 C ATOM 423 CD LYS A 27 -3.315 4.198 -3.824 1.00 0.82 C ATOM 424 CE LYS A 27 -3.024 4.856 -2.474 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.973 5.981 -2.328 1.00 1.11 N ATOM 0 H LYS A 27 -0.242 2.355 -5.403 1.00 0.40 H new ATOM 0 HA LYS A 27 -2.192 0.350 -5.095 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.322 3.190 -6.169 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.700 2.202 -5.729 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.930 2.128 -3.378 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.498 3.046 -3.798 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.067 4.899 -4.621 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.384 3.997 -3.897 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.147 4.140 -1.661 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -1.995 5.212 -2.432 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.809 6.458 -1.419 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.831 6.658 -3.105 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.948 5.619 -2.358 1.00 1.11 H new ATOM 439 N ALA A 28 -1.229 1.230 -8.098 1.00 0.39 N ATOM 440 CA ALA A 28 -1.039 0.850 -9.463 1.00 0.39 C ATOM 441 C ALA A 28 -0.645 -0.574 -9.651 1.00 0.36 C ATOM 442 O ALA A 28 -1.045 -1.246 -10.601 1.00 0.42 O ATOM 443 CB ALA A 28 -0.089 1.775 -10.243 1.00 0.51 C ATOM 0 H ALA A 28 -0.671 2.051 -7.866 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.035 0.968 -9.890 1.00 0.39 H new ATOM 0 HB1 ALA A 28 0.003 1.420 -11.269 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.488 2.789 -10.244 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.892 1.772 -9.769 1.00 0.51 H new ATOM 449 N LYS A 29 0.204 -1.115 -8.760 1.00 0.39 N ATOM 450 CA LYS A 29 0.570 -2.494 -8.855 1.00 0.43 C ATOM 451 C LYS A 29 -0.503 -3.395 -8.349 1.00 0.44 C ATOM 452 O LYS A 29 -0.793 -4.402 -8.994 1.00 0.54 O ATOM 453 CB LYS A 29 1.901 -2.641 -8.098 1.00 0.54 C ATOM 454 CG LYS A 29 2.751 -3.805 -8.612 1.00 0.65 C ATOM 455 CD LYS A 29 4.232 -3.548 -8.323 1.00 1.08 C ATOM 456 CE LYS A 29 4.965 -2.648 -9.319 1.00 1.24 C ATOM 457 NZ LYS A 29 6.402 -2.456 -9.025 1.00 1.44 N ATOM 0 H LYS A 29 0.632 -0.608 -7.985 1.00 0.39 H new ATOM 0 HA LYS A 29 0.698 -2.799 -9.893 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.469 -1.715 -8.188 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.696 -2.787 -7.037 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.436 -4.733 -8.135 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.599 -3.930 -9.684 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.316 -3.103 -7.332 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.746 -4.508 -8.285 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.864 -3.074 -10.317 1.00 1.24 H new ATOM 0 HE3 LYS A 29 4.477 -1.674 -9.337 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.570 -1.469 -8.743 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.686 -3.090 -8.251 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 6.962 -2.674 -9.874 1.00 1.44 H new ATOM 471 N ILE A 30 -1.200 -3.013 -7.264 1.00 0.41 N ATOM 472 CA ILE A 30 -2.354 -3.692 -6.764 1.00 0.44 C ATOM 473 C ILE A 30 -3.454 -3.708 -7.769 1.00 0.45 C ATOM 474 O ILE A 30 -4.171 -4.703 -7.860 1.00 0.56 O ATOM 475 CB ILE A 30 -2.752 -3.163 -5.418 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.601 -3.468 -4.444 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.062 -3.843 -4.983 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.861 -3.213 -2.960 1.00 1.32 C ATOM 0 H ILE A 30 -0.947 -2.194 -6.711 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.102 -4.740 -6.601 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.928 -2.087 -5.438 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.324 -4.515 -4.564 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.738 -2.874 -4.743 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.361 -3.465 -4.005 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.844 -3.625 -5.710 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.911 -4.921 -4.925 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.971 -3.468 -2.385 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.101 -2.161 -2.808 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.697 -3.828 -2.626 1.00 1.32 H new ATOM 490 N GLN A 31 -3.646 -2.640 -8.564 1.00 0.41 N ATOM 491 CA GLN A 31 -4.672 -2.620 -9.560 1.00 0.48 C ATOM 492 C GLN A 31 -4.402 -3.629 -10.623 1.00 0.52 C ATOM 493 O GLN A 31 -5.281 -4.270 -11.195 1.00 0.66 O ATOM 494 CB GLN A 31 -4.816 -1.209 -10.155 1.00 0.52 C ATOM 495 CG GLN A 31 -5.871 -0.983 -11.240 1.00 0.70 C ATOM 496 CD GLN A 31 -6.264 0.388 -11.769 1.00 0.97 C ATOM 497 OE1 GLN A 31 -5.404 1.159 -12.191 1.00 1.70 O ATOM 498 NE2 GLN A 31 -7.609 0.584 -11.831 1.00 1.43 N ATOM 0 H GLN A 31 -3.088 -1.787 -8.516 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.617 -2.886 -9.086 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.030 -0.523 -9.335 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.849 -0.922 -10.567 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.548 -1.562 -12.105 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.789 -1.443 -10.873 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -8.245 -0.118 -11.451 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -7.982 1.432 -12.257 1.00 1.43 H new ATOM 507 N ASP A 32 -3.130 -3.817 -11.018 1.00 0.50 N ATOM 508 CA ASP A 32 -2.677 -4.784 -11.970 1.00 0.60 C ATOM 509 C ASP A 32 -2.928 -6.188 -11.539 1.00 0.65 C ATOM 510 O ASP A 32 -3.420 -7.055 -12.258 1.00 0.81 O ATOM 511 CB ASP A 32 -1.195 -4.438 -12.184 1.00 0.67 C ATOM 512 CG ASP A 32 -0.550 -5.241 -13.305 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.114 -5.384 -14.423 1.00 1.51 O ATOM 514 OD2 ASP A 32 0.477 -5.888 -12.969 1.00 1.55 O ATOM 0 H ASP A 32 -2.366 -3.254 -10.646 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.229 -4.737 -12.909 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.105 -3.375 -12.408 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.649 -4.616 -11.257 1.00 0.67 H new ATOM 519 N LYS A 33 -2.687 -6.427 -10.237 1.00 0.62 N ATOM 520 CA LYS A 33 -2.787 -7.700 -9.594 1.00 0.73 C ATOM 521 C LYS A 33 -4.193 -8.034 -9.229 1.00 0.69 C ATOM 522 O LYS A 33 -4.602 -9.139 -9.581 1.00 0.83 O ATOM 523 CB LYS A 33 -1.931 -7.655 -8.317 1.00 0.85 C ATOM 524 CG LYS A 33 -1.681 -8.927 -7.504 1.00 1.31 C ATOM 525 CD LYS A 33 -0.956 -10.096 -8.175 1.00 1.71 C ATOM 526 CE LYS A 33 0.488 -9.841 -8.613 1.00 2.26 C ATOM 527 NZ LYS A 33 1.147 -10.925 -9.375 1.00 2.62 N ATOM 0 H LYS A 33 -2.405 -5.686 -9.595 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.437 -8.468 -10.284 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -0.956 -7.256 -8.597 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.392 -6.930 -7.646 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.109 -8.647 -6.619 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -2.647 -9.293 -7.156 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.960 -10.941 -7.486 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -1.531 -10.397 -9.051 1.00 1.71 H new ATOM 0 HE2 LYS A 33 0.506 -8.937 -9.221 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.084 -9.638 -7.723 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.118 -10.639 -9.616 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.174 -11.789 -8.797 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 0.613 -11.109 -10.248 1.00 2.62 H new ATOM 541 N GLU A 34 -4.867 -7.212 -8.405 1.00 0.63 N ATOM 542 CA GLU A 34 -6.082 -7.476 -7.699 1.00 0.67 C ATOM 543 C GLU A 34 -7.301 -6.933 -8.361 1.00 0.69 C ATOM 544 O GLU A 34 -8.324 -7.615 -8.377 1.00 0.95 O ATOM 545 CB GLU A 34 -6.053 -6.957 -6.250 1.00 0.73 C ATOM 546 CG GLU A 34 -5.078 -7.675 -5.316 1.00 0.83 C ATOM 547 CD GLU A 34 -5.522 -9.098 -5.007 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.666 -9.380 -4.563 1.00 1.48 O ATOM 549 OE2 GLU A 34 -4.670 -10.021 -5.115 1.00 1.37 O ATOM 0 H GLU A 34 -4.525 -6.270 -8.216 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.144 -8.564 -7.703 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.800 -5.897 -6.267 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.057 -7.039 -5.833 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.088 -7.696 -5.773 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.988 -7.114 -4.386 1.00 0.83 H new ATOM 556 N GLY A 35 -7.156 -5.721 -8.926 1.00 0.63 N ATOM 557 CA GLY A 35 -8.133 -5.051 -9.728 1.00 0.68 C ATOM 558 C GLY A 35 -8.841 -3.988 -8.962 1.00 0.76 C ATOM 559 O GLY A 35 -9.944 -3.538 -9.273 1.00 1.12 O ATOM 0 H GLY A 35 -6.302 -5.175 -8.815 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.648 -4.610 -10.599 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.858 -5.776 -10.099 1.00 0.68 H new ATOM 563 N ILE A 36 -8.181 -3.427 -7.933 1.00 0.70 N ATOM 564 CA ILE A 36 -8.758 -2.444 -7.070 1.00 0.76 C ATOM 565 C ILE A 36 -8.202 -1.134 -7.513 1.00 0.71 C ATOM 566 O ILE A 36 -7.007 -1.020 -7.781 1.00 0.73 O ATOM 567 CB ILE A 36 -8.400 -2.655 -5.629 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.843 -4.020 -5.076 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.071 -1.659 -4.668 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.957 -4.331 -3.871 1.00 1.16 C ATOM 0 H ILE A 36 -7.218 -3.664 -7.695 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.845 -2.498 -7.134 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.316 -2.543 -5.655 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.893 -3.994 -4.784 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.742 -4.794 -5.837 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.763 -1.876 -3.645 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.772 -0.644 -4.929 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.154 -1.750 -4.748 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.241 -5.295 -3.449 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.914 -4.366 -4.186 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.082 -3.554 -3.117 1.00 1.16 H new ATOM 582 N PRO A 37 -8.904 -0.078 -7.795 1.00 0.75 N ATOM 583 CA PRO A 37 -8.463 1.189 -8.300 1.00 0.79 C ATOM 584 C PRO A 37 -7.656 1.955 -7.309 1.00 0.75 C ATOM 585 O PRO A 37 -8.053 1.696 -6.174 1.00 0.75 O ATOM 586 CB PRO A 37 -9.614 2.025 -8.858 1.00 0.95 C ATOM 587 CG PRO A 37 -10.725 1.481 -7.945 1.00 1.02 C ATOM 588 CD PRO A 37 -10.355 0.007 -7.714 1.00 0.85 C ATOM 0 HA PRO A 37 -7.799 0.962 -9.134 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -9.456 3.098 -8.745 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.802 1.840 -9.916 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -10.769 2.030 -7.004 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.704 1.574 -8.414 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -10.709 -0.333 -6.741 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.822 -0.631 -8.464 1.00 0.85 H new ATOM 596 N PRO A 38 -6.824 2.905 -7.617 1.00 0.81 N ATOM 597 CA PRO A 38 -6.077 3.551 -6.577 1.00 0.85 C ATOM 598 C PRO A 38 -6.947 4.337 -5.659 1.00 0.89 C ATOM 599 O PRO A 38 -6.680 4.471 -4.465 1.00 0.99 O ATOM 600 CB PRO A 38 -5.127 4.474 -7.337 1.00 1.01 C ATOM 601 CG PRO A 38 -4.825 3.637 -8.589 1.00 1.25 C ATOM 602 CD PRO A 38 -6.194 3.026 -8.923 1.00 0.98 C ATOM 0 HA PRO A 38 -5.567 2.831 -5.937 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.592 5.428 -7.584 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.226 4.697 -6.765 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.446 4.252 -9.405 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.076 2.870 -8.393 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.770 3.666 -9.591 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.095 2.058 -9.415 1.00 0.98 H new ATOM 610 N ASP A 39 -8.056 4.898 -6.173 1.00 0.96 N ATOM 611 CA ASP A 39 -9.021 5.592 -5.378 1.00 1.11 C ATOM 612 C ASP A 39 -9.549 4.930 -4.151 1.00 1.00 C ATOM 613 O ASP A 39 -9.599 5.497 -3.062 1.00 1.14 O ATOM 614 CB ASP A 39 -10.297 5.821 -6.206 1.00 1.39 C ATOM 615 CG ASP A 39 -10.038 6.741 -7.389 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.508 6.256 -8.425 1.00 2.25 O ATOM 617 OD2 ASP A 39 -10.356 7.959 -7.319 1.00 2.23 O ATOM 0 H ASP A 39 -8.288 4.868 -7.166 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.449 6.469 -5.073 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.676 4.864 -6.565 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -11.071 6.252 -5.571 1.00 1.39 H new ATOM 622 N GLN A 40 -9.951 3.653 -4.274 1.00 0.87 N ATOM 623 CA GLN A 40 -10.397 2.906 -3.139 1.00 0.84 C ATOM 624 C GLN A 40 -9.372 2.517 -2.131 1.00 0.67 C ATOM 625 O GLN A 40 -9.789 2.233 -1.009 1.00 0.80 O ATOM 626 CB GLN A 40 -11.073 1.620 -3.644 1.00 0.95 C ATOM 627 CG GLN A 40 -12.369 2.055 -4.333 1.00 1.32 C ATOM 628 CD GLN A 40 -13.202 0.887 -4.839 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.343 0.572 -6.021 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.884 0.190 -3.892 1.00 2.02 N ATOM 0 H GLN A 40 -9.968 3.139 -5.155 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.063 3.589 -2.611 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.424 1.087 -4.339 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.282 0.941 -2.818 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -12.965 2.642 -3.634 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.125 2.709 -5.171 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.782 0.434 -2.907 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.498 -0.577 -4.167 1.00 2.02 H new ATOM 639 N GLN A 41 -8.070 2.502 -2.467 1.00 0.56 N ATOM 640 CA GLN A 41 -7.105 1.995 -1.541 1.00 0.51 C ATOM 641 C GLN A 41 -6.488 3.111 -0.771 1.00 0.49 C ATOM 642 O GLN A 41 -5.882 3.981 -1.394 1.00 0.65 O ATOM 643 CB GLN A 41 -5.921 1.380 -2.305 1.00 0.67 C ATOM 644 CG GLN A 41 -6.311 0.199 -3.197 1.00 0.69 C ATOM 645 CD GLN A 41 -5.114 -0.275 -4.009 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.025 -0.539 -3.504 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.295 -0.425 -5.349 1.00 0.61 N ATOM 0 H GLN A 41 -7.692 2.831 -3.355 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.623 1.279 -0.903 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.457 2.151 -2.920 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.170 1.050 -1.588 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.688 -0.619 -2.583 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.119 0.493 -3.867 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.198 -0.206 -5.769 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.527 -0.756 -5.933 1.00 0.61 H new ATOM 656 N ARG A 42 -6.346 2.921 0.553 1.00 0.47 N ATOM 657 CA ARG A 42 -5.661 3.798 1.452 1.00 0.55 C ATOM 658 C ARG A 42 -4.738 2.843 2.125 1.00 0.46 C ATOM 659 O ARG A 42 -5.054 1.881 2.824 1.00 0.52 O ATOM 660 CB ARG A 42 -6.533 4.632 2.405 1.00 0.73 C ATOM 661 CG ARG A 42 -7.503 5.577 1.691 1.00 1.04 C ATOM 662 CD ARG A 42 -7.982 6.702 2.608 1.00 1.28 C ATOM 663 NE ARG A 42 -8.583 7.770 1.761 1.00 1.69 N ATOM 664 CZ ARG A 42 -8.828 9.029 2.227 1.00 2.19 C ATOM 665 NH1 ARG A 42 -8.764 9.333 3.556 1.00 2.34 N ATOM 666 NH2 ARG A 42 -9.110 10.048 1.363 1.00 2.78 N ATOM 0 H ARG A 42 -6.734 2.104 1.025 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.167 4.623 0.938 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.103 3.958 3.044 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -5.884 5.217 3.057 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.014 6.005 0.816 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.362 5.011 1.331 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.715 6.325 3.321 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.149 7.100 3.188 1.00 1.28 H new ATOM 0 HE ARG A 42 -8.821 7.551 0.794 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -8.527 8.609 4.234 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -8.953 10.285 3.871 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -9.139 9.872 0.359 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -9.292 10.985 1.722 1.00 2.78 H new ATOM 680 N LEU A 43 -3.449 3.217 2.025 1.00 0.46 N ATOM 681 CA LEU A 43 -2.474 2.393 2.670 1.00 0.42 C ATOM 682 C LEU A 43 -1.980 3.039 3.918 1.00 0.43 C ATOM 683 O LEU A 43 -1.665 4.228 3.875 1.00 0.55 O ATOM 684 CB LEU A 43 -1.288 2.236 1.703 1.00 0.55 C ATOM 685 CG LEU A 43 -1.779 1.662 0.363 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.566 1.459 -0.562 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.607 0.378 0.537 1.00 1.12 C ATOM 0 H LEU A 43 -3.096 4.037 1.531 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.920 1.432 2.926 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.809 3.202 1.541 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.537 1.576 2.138 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.463 2.375 -0.097 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.900 1.052 -1.516 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.071 2.416 -0.729 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.134 0.765 -0.097 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.928 0.017 -0.440 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.999 -0.384 1.024 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -3.483 0.590 1.151 1.00 1.12 H new ATOM 699 N ILE A 44 -1.995 2.278 5.027 1.00 0.42 N ATOM 700 CA ILE A 44 -1.523 2.746 6.293 1.00 0.46 C ATOM 701 C ILE A 44 -0.239 2.076 6.643 1.00 0.42 C ATOM 702 O ILE A 44 -0.041 0.862 6.640 1.00 0.53 O ATOM 703 CB ILE A 44 -2.509 2.514 7.399 1.00 0.58 C ATOM 704 CG1 ILE A 44 -3.931 2.853 6.921 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.150 3.429 8.583 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.244 4.306 6.564 1.00 1.27 C ATOM 0 H ILE A 44 -2.342 1.319 5.045 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.378 3.822 6.193 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.472 1.467 7.700 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.142 2.241 6.044 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.627 2.544 7.701 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.860 3.270 9.394 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.144 3.196 8.931 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.192 4.470 8.264 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.283 4.387 6.245 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.082 4.938 7.437 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.590 4.631 5.755 1.00 1.27 H new ATOM 718 N PHE A 45 0.776 2.879 7.008 1.00 0.42 N ATOM 719 CA PHE A 45 1.992 2.331 7.523 1.00 0.46 C ATOM 720 C PHE A 45 2.354 3.027 8.790 1.00 0.68 C ATOM 721 O PHE A 45 2.277 4.253 8.853 1.00 1.50 O ATOM 722 CB PHE A 45 3.160 2.475 6.533 1.00 0.56 C ATOM 723 CG PHE A 45 4.391 1.915 7.157 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.468 0.552 7.322 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.391 2.790 7.511 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.649 0.066 7.831 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.492 2.229 8.113 1.00 1.33 C ATOM 728 CZ PHE A 45 6.645 0.879 8.320 1.00 1.02 C ATOM 0 H PHE A 45 0.756 3.897 6.948 1.00 0.42 H new ATOM 0 HA PHE A 45 1.821 1.268 7.696 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.935 1.949 5.605 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.310 3.524 6.277 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.646 -0.100 7.066 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.316 3.852 7.327 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.802 -1.003 7.848 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.282 2.887 8.442 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.502 0.477 8.839 1.00 1.02 H new ATOM 738 N ALA A 46 2.663 2.235 9.832 1.00 0.81 N ATOM 739 CA ALA A 46 2.897 2.706 11.162 1.00 0.96 C ATOM 740 C ALA A 46 1.622 3.235 11.723 1.00 0.97 C ATOM 741 O ALA A 46 0.944 2.624 12.547 1.00 1.21 O ATOM 742 CB ALA A 46 4.111 3.633 11.345 1.00 1.20 C ATOM 0 H ALA A 46 2.754 1.223 9.744 1.00 0.81 H new ATOM 0 HA ALA A 46 3.211 1.848 11.756 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.190 3.927 12.392 1.00 1.20 H new ATOM 0 HB2 ALA A 46 5.018 3.108 11.046 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.986 4.522 10.727 1.00 1.20 H new ATOM 748 N GLY A 47 1.193 4.433 11.287 1.00 0.99 N ATOM 749 CA GLY A 47 0.065 5.210 11.700 1.00 1.10 C ATOM 750 C GLY A 47 -0.311 6.241 10.692 1.00 1.03 C ATOM 751 O GLY A 47 -1.344 6.909 10.724 1.00 1.30 O ATOM 0 H GLY A 47 1.707 4.915 10.549 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -0.784 4.549 11.875 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.290 5.698 12.649 1.00 1.10 H new ATOM 755 N LYS A 48 0.557 6.372 9.673 1.00 0.98 N ATOM 756 CA LYS A 48 0.436 7.328 8.617 1.00 1.05 C ATOM 757 C LYS A 48 -0.508 6.884 7.554 1.00 0.84 C ATOM 758 O LYS A 48 -0.388 5.808 6.968 1.00 0.81 O ATOM 759 CB LYS A 48 1.850 7.487 8.034 1.00 1.42 C ATOM 760 CG LYS A 48 2.802 8.227 8.975 1.00 1.61 C ATOM 761 CD LYS A 48 4.157 8.632 8.392 1.00 1.87 C ATOM 762 CE LYS A 48 4.887 9.667 9.250 1.00 2.22 C ATOM 763 NZ LYS A 48 4.884 9.282 10.680 1.00 2.55 N ATOM 0 H LYS A 48 1.384 5.782 9.582 1.00 0.98 H new ATOM 0 HA LYS A 48 0.034 8.265 9.001 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.259 6.501 7.813 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.789 8.026 7.089 1.00 1.42 H new ATOM 0 HG2 LYS A 48 2.300 9.127 9.330 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.980 7.596 9.846 1.00 1.61 H new ATOM 0 HD2 LYS A 48 4.783 7.745 8.290 1.00 1.87 H new ATOM 0 HD3 LYS A 48 4.010 9.036 7.390 1.00 1.87 H new ATOM 0 HE2 LYS A 48 5.915 9.771 8.902 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.411 10.640 9.133 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 5.563 9.874 11.200 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 3.932 9.419 11.074 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 5.155 8.282 10.771 1.00 2.55 H new ATOM 777 N GLN A 49 -1.486 7.679 7.084 1.00 0.84 N ATOM 778 CA GLN A 49 -2.276 7.383 5.929 1.00 0.80 C ATOM 779 C GLN A 49 -1.530 8.023 4.808 1.00 0.72 C ATOM 780 O GLN A 49 -1.541 9.237 4.608 1.00 0.83 O ATOM 781 CB GLN A 49 -3.670 8.017 6.070 1.00 1.03 C ATOM 782 CG GLN A 49 -4.655 7.752 4.929 1.00 1.67 C ATOM 783 CD GLN A 49 -5.931 8.560 5.122 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.883 8.087 5.740 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.967 9.830 4.638 1.00 2.48 N ATOM 0 H GLN A 49 -1.736 8.563 7.526 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.425 6.314 5.779 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.117 7.658 6.997 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.547 9.095 6.172 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.194 8.012 3.976 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.894 6.689 4.888 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.167 10.204 4.128 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.794 10.409 4.785 1.00 2.48 H new ATOM 794 N LEU A 50 -0.885 7.175 3.988 1.00 0.69 N ATOM 795 CA LEU A 50 0.057 7.559 2.984 1.00 0.66 C ATOM 796 C LEU A 50 -0.475 8.252 1.776 1.00 0.72 C ATOM 797 O LEU A 50 -1.467 7.885 1.151 1.00 0.90 O ATOM 798 CB LEU A 50 0.880 6.346 2.518 1.00 0.65 C ATOM 799 CG LEU A 50 1.466 5.464 3.633 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.309 4.377 2.945 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.365 6.203 4.640 1.00 0.74 C ATOM 0 H LEU A 50 -1.029 6.166 4.028 1.00 0.69 H new ATOM 0 HA LEU A 50 0.662 8.304 3.501 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.248 5.724 1.884 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.700 6.705 1.896 1.00 0.65 H new ATOM 0 HG LEU A 50 0.627 5.077 4.211 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.747 3.724 3.700 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.674 3.790 2.281 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.104 4.846 2.365 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.730 5.498 5.387 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.211 6.646 4.115 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.791 6.988 5.132 1.00 0.74 H new ATOM 813 N GLU A 51 0.253 9.341 1.470 1.00 0.70 N ATOM 814 CA GLU A 51 -0.051 10.206 0.372 1.00 0.76 C ATOM 815 C GLU A 51 0.489 9.739 -0.936 1.00 0.77 C ATOM 816 O GLU A 51 1.551 9.138 -1.094 1.00 1.23 O ATOM 817 CB GLU A 51 0.644 11.542 0.684 1.00 0.88 C ATOM 818 CG GLU A 51 0.565 12.662 -0.355 1.00 1.35 C ATOM 819 CD GLU A 51 1.243 13.942 0.114 1.00 1.46 C ATOM 820 OE1 GLU A 51 2.479 14.137 -0.027 1.00 1.89 O ATOM 821 OE2 GLU A 51 0.499 14.810 0.646 1.00 1.94 O ATOM 0 H GLU A 51 1.076 9.628 2.001 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.135 10.258 0.274 1.00 0.76 H new ATOM 0 HB2 GLU A 51 0.227 11.924 1.616 1.00 0.88 H new ATOM 0 HB3 GLU A 51 1.698 11.333 0.868 1.00 0.88 H new ATOM 0 HG2 GLU A 51 1.031 12.327 -1.282 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.481 12.870 -0.581 1.00 1.35 H new ATOM 828 N ASP A 52 -0.300 9.938 -2.006 1.00 0.66 N ATOM 829 CA ASP A 52 -0.199 9.279 -3.271 1.00 0.65 C ATOM 830 C ASP A 52 1.027 9.511 -4.084 1.00 0.60 C ATOM 831 O ASP A 52 1.817 8.585 -4.267 1.00 0.62 O ATOM 832 CB ASP A 52 -1.368 9.494 -4.248 1.00 0.81 C ATOM 833 CG ASP A 52 -2.670 9.284 -3.489 1.00 0.95 C ATOM 834 OD1 ASP A 52 -3.084 10.275 -2.830 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.251 8.167 -3.539 1.00 1.56 O ATOM 0 H ASP A 52 -1.066 10.611 -1.984 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.189 8.264 -2.874 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.331 10.499 -4.668 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.298 8.797 -5.083 1.00 0.81 H new ATOM 840 N GLY A 53 1.329 10.715 -4.601 1.00 0.68 N ATOM 841 CA GLY A 53 2.573 11.097 -5.195 1.00 0.73 C ATOM 842 C GLY A 53 3.656 11.554 -4.280 1.00 0.72 C ATOM 843 O GLY A 53 4.401 12.517 -4.456 1.00 0.97 O ATOM 0 H GLY A 53 0.652 11.478 -4.604 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.949 10.248 -5.765 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.374 11.897 -5.908 1.00 0.73 H new ATOM 847 N ARG A 54 3.908 10.647 -3.320 1.00 0.64 N ATOM 848 CA ARG A 54 5.131 10.606 -2.581 1.00 0.63 C ATOM 849 C ARG A 54 5.821 9.315 -2.857 1.00 0.59 C ATOM 850 O ARG A 54 5.155 8.291 -3.003 1.00 0.62 O ATOM 851 CB ARG A 54 4.772 10.554 -1.087 1.00 0.69 C ATOM 852 CG ARG A 54 4.639 11.995 -0.589 1.00 0.82 C ATOM 853 CD ARG A 54 5.935 12.728 -0.239 1.00 1.18 C ATOM 854 NE ARG A 54 5.338 13.957 0.356 1.00 1.50 N ATOM 855 CZ ARG A 54 5.956 14.914 1.108 1.00 2.00 C ATOM 856 NH1 ARG A 54 7.296 14.859 1.365 1.00 2.48 N ATOM 857 NH2 ARG A 54 5.286 15.981 1.633 1.00 2.49 N ATOM 0 H ARG A 54 3.243 9.922 -3.050 1.00 0.64 H new ATOM 0 HA ARG A 54 5.747 11.465 -2.847 1.00 0.63 H new ATOM 0 HB2 ARG A 54 3.840 10.010 -0.937 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.543 10.026 -0.527 1.00 0.69 H new ATOM 0 HG2 ARG A 54 4.119 12.572 -1.354 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.002 11.991 0.295 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.557 12.176 0.466 1.00 1.18 H new ATOM 0 HD3 ARG A 54 6.552 12.937 -1.113 1.00 1.18 H new ATOM 0 HE ARG A 54 4.344 14.101 0.179 1.00 1.50 H new ATOM 0 HH11 ARG A 54 7.856 14.092 0.992 1.00 2.48 H new ATOM 0 HH12 ARG A 54 7.737 15.585 1.929 1.00 2.48 H new ATOM 0 HH21 ARG A 54 4.285 16.086 1.469 1.00 2.49 H new ATOM 0 HH22 ARG A 54 5.787 16.674 2.190 1.00 2.49 H new ATOM 871 N THR A 55 7.166 9.324 -2.867 1.00 0.63 N ATOM 872 CA THR A 55 7.970 8.142 -2.897 1.00 0.61 C ATOM 873 C THR A 55 8.002 7.372 -1.621 1.00 0.59 C ATOM 874 O THR A 55 7.942 7.961 -0.543 1.00 0.64 O ATOM 875 CB THR A 55 9.365 8.406 -3.381 1.00 0.68 C ATOM 876 OG1 THR A 55 10.070 9.318 -2.553 1.00 0.75 O ATOM 877 CG2 THR A 55 9.185 9.080 -4.752 1.00 0.76 C ATOM 0 H THR A 55 7.713 10.185 -2.854 1.00 0.63 H new ATOM 0 HA THR A 55 7.461 7.506 -3.622 1.00 0.61 H new ATOM 0 HB THR A 55 9.931 7.475 -3.396 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.972 9.454 -2.910 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.163 9.307 -5.177 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.646 8.408 -5.420 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.618 10.003 -4.632 1.00 0.76 H new ATOM 885 N LEU A 56 8.237 6.055 -1.760 1.00 0.58 N ATOM 886 CA LEU A 56 8.423 5.067 -0.742 1.00 0.59 C ATOM 887 C LEU A 56 9.602 5.463 0.080 1.00 0.64 C ATOM 888 O LEU A 56 9.576 5.243 1.290 1.00 0.70 O ATOM 889 CB LEU A 56 8.481 3.626 -1.274 1.00 0.60 C ATOM 890 CG LEU A 56 7.122 3.063 -1.723 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.381 1.944 -2.746 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.289 2.622 -0.508 1.00 1.03 C ATOM 0 H LEU A 56 8.303 5.640 -2.689 1.00 0.58 H new ATOM 0 HA LEU A 56 7.541 5.043 -0.103 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.173 3.589 -2.116 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.890 2.980 -0.497 1.00 0.60 H new ATOM 0 HG LEU A 56 6.520 3.827 -2.215 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.430 1.529 -3.079 1.00 1.05 H new ATOM 0 HD12 LEU A 56 7.919 2.351 -3.602 1.00 1.05 H new ATOM 0 HD13 LEU A 56 7.977 1.158 -2.282 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.332 2.227 -0.847 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.827 1.849 0.041 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.117 3.477 0.145 1.00 1.03 H new ATOM 904 N SER A 57 10.598 6.029 -0.625 1.00 0.68 N ATOM 905 CA SER A 57 11.787 6.583 -0.054 1.00 0.75 C ATOM 906 C SER A 57 11.538 7.857 0.677 1.00 0.76 C ATOM 907 O SER A 57 12.382 8.225 1.492 1.00 0.84 O ATOM 908 CB SER A 57 12.792 7.069 -1.111 1.00 0.84 C ATOM 909 OG SER A 57 14.099 7.018 -0.557 1.00 1.19 O ATOM 0 H SER A 57 10.573 6.104 -1.642 1.00 0.68 H new ATOM 0 HA SER A 57 12.147 5.764 0.569 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.735 6.444 -2.002 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.552 8.086 -1.420 1.00 0.84 H new ATOM 0 HG SER A 57 14.086 7.394 0.348 1.00 1.19 H new ATOM 915 N ASP A 58 10.518 8.690 0.403 1.00 0.75 N ATOM 916 CA ASP A 58 10.132 9.787 1.234 1.00 0.78 C ATOM 917 C ASP A 58 9.567 9.310 2.527 1.00 0.77 C ATOM 918 O ASP A 58 9.984 9.786 3.582 1.00 0.86 O ATOM 919 CB ASP A 58 9.208 10.702 0.411 1.00 0.83 C ATOM 920 CG ASP A 58 9.251 12.092 1.029 1.00 1.23 C ATOM 921 OD1 ASP A 58 8.462 12.359 1.974 1.00 1.90 O ATOM 922 OD2 ASP A 58 10.185 12.853 0.661 1.00 1.86 O ATOM 0 H ASP A 58 9.939 8.595 -0.431 1.00 0.75 H new ATOM 0 HA ASP A 58 10.992 10.385 1.535 1.00 0.78 H new ATOM 0 HB2 ASP A 58 9.534 10.737 -0.629 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.189 10.315 0.413 1.00 0.83 H new ATOM 927 N TYR A 59 8.637 8.338 2.555 1.00 0.72 N ATOM 928 CA TYR A 59 8.169 7.864 3.821 1.00 0.73 C ATOM 929 C TYR A 59 9.168 7.080 4.600 1.00 0.76 C ATOM 930 O TYR A 59 9.070 6.911 5.814 1.00 0.89 O ATOM 931 CB TYR A 59 6.868 7.084 3.565 1.00 0.73 C ATOM 932 CG TYR A 59 5.646 7.899 3.316 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.130 8.604 4.378 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.083 7.960 2.064 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.029 9.415 4.245 1.00 0.77 C ATOM 936 CE2 TYR A 59 3.975 8.762 1.930 1.00 0.70 C ATOM 937 CZ TYR A 59 3.485 9.497 2.984 1.00 0.74 C ATOM 938 OH TYR A 59 2.410 10.407 2.912 1.00 0.86 O ATOM 0 H TYR A 59 8.222 7.894 1.736 1.00 0.72 H new ATOM 0 HA TYR A 59 7.983 8.722 4.467 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.024 6.431 2.706 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.680 6.441 4.425 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.604 8.518 5.345 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.489 7.407 1.230 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.614 9.957 5.082 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.477 8.816 0.973 1.00 0.70 H new ATOM 0 HH TYR A 59 2.759 11.320 2.845 1.00 0.86 H new ATOM 948 N ASN A 60 10.168 6.492 3.918 1.00 0.74 N ATOM 949 CA ASN A 60 11.135 5.567 4.420 1.00 0.79 C ATOM 950 C ASN A 60 10.494 4.240 4.637 1.00 0.75 C ATOM 951 O ASN A 60 10.740 3.664 5.696 1.00 0.86 O ATOM 952 CB ASN A 60 11.895 6.108 5.642 1.00 0.95 C ATOM 953 CG ASN A 60 13.130 5.321 6.056 1.00 1.25 C ATOM 954 OD1 ASN A 60 14.012 5.051 5.242 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.209 4.938 7.359 1.00 1.83 N ATOM 0 H ASN A 60 10.310 6.683 2.926 1.00 0.74 H new ATOM 0 HA ASN A 60 11.914 5.429 3.670 1.00 0.79 H new ATOM 0 HB2 ASN A 60 12.195 7.135 5.434 1.00 0.95 H new ATOM 0 HB3 ASN A 60 11.208 6.141 6.488 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.018 4.410 7.687 1.00 1.83 H new ATOM 0 HD22 ASN A 60 12.460 5.179 8.008 1.00 1.83 H new ATOM 962 N ILE A 61 9.818 3.678 3.619 1.00 0.67 N ATOM 963 CA ILE A 61 9.303 2.352 3.765 1.00 0.65 C ATOM 964 C ILE A 61 10.354 1.499 3.140 1.00 0.66 C ATOM 965 O ILE A 61 10.838 1.725 2.032 1.00 0.75 O ATOM 966 CB ILE A 61 7.955 2.227 3.120 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.015 3.012 4.050 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.444 0.811 2.805 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.724 3.390 3.325 1.00 0.82 C ATOM 0 H ILE A 61 9.632 4.125 2.721 1.00 0.67 H new ATOM 0 HA ILE A 61 9.122 2.057 4.799 1.00 0.65 H new ATOM 0 HB ILE A 61 8.009 2.626 2.107 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.781 2.411 4.929 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.516 3.913 4.404 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.459 0.874 2.342 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.136 0.318 2.122 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.374 0.236 3.728 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.075 3.944 4.003 1.00 0.82 H new ATOM 0 HD12 ILE A 61 5.960 4.010 2.460 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.214 2.485 2.994 1.00 0.82 H new ATOM 981 N GLN A 62 10.933 0.584 3.936 1.00 0.67 N ATOM 982 CA GLN A 62 11.971 -0.298 3.497 1.00 0.70 C ATOM 983 C GLN A 62 11.470 -1.686 3.292 1.00 0.62 C ATOM 984 O GLN A 62 10.274 -1.973 3.338 1.00 0.64 O ATOM 985 CB GLN A 62 13.078 -0.336 4.563 1.00 0.85 C ATOM 986 CG GLN A 62 13.791 1.015 4.637 1.00 1.27 C ATOM 987 CD GLN A 62 14.871 0.866 5.699 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.793 0.232 6.750 1.00 2.08 O ATOM 989 NE2 GLN A 62 16.025 1.546 5.462 1.00 2.16 N ATOM 0 H GLN A 62 10.673 0.453 4.913 1.00 0.67 H new ATOM 0 HA GLN A 62 12.348 0.077 2.545 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.649 -0.582 5.534 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.796 -1.121 4.324 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.226 1.279 3.673 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.093 1.810 4.900 1.00 1.27 H new ATOM 0 HE21 GLN A 62 16.132 2.085 4.603 1.00 2.16 H new ATOM 0 HE22 GLN A 62 16.783 1.517 6.144 1.00 2.16 H new ATOM 998 N LYS A 63 12.406 -2.575 2.918 1.00 0.64 N ATOM 999 CA LYS A 63 12.254 -3.990 2.787 1.00 0.62 C ATOM 1000 C LYS A 63 11.620 -4.681 3.945 1.00 0.59 C ATOM 1001 O LYS A 63 11.885 -4.410 5.116 1.00 0.66 O ATOM 1002 CB LYS A 63 13.469 -4.740 2.215 1.00 0.74 C ATOM 1003 CG LYS A 63 14.742 -4.506 3.033 1.00 0.89 C ATOM 1004 CD LYS A 63 16.069 -5.110 2.571 1.00 1.11 C ATOM 1005 CE LYS A 63 16.270 -6.556 3.028 1.00 1.47 C ATOM 1006 NZ LYS A 63 17.365 -7.175 2.249 1.00 2.12 N ATOM 0 H LYS A 63 13.353 -2.275 2.687 1.00 0.64 H new ATOM 0 HA LYS A 63 11.506 -4.052 1.997 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.252 -5.808 2.185 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.638 -4.420 1.187 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.885 -3.428 3.109 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.552 -4.874 4.041 1.00 0.89 H new ATOM 0 HD2 LYS A 63 16.118 -5.070 1.483 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.889 -4.500 2.950 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.507 -6.582 4.092 1.00 1.47 H new ATOM 0 HE3 LYS A 63 15.349 -7.122 2.893 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 17.500 -8.158 2.561 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 17.122 -7.163 1.238 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 18.244 -6.640 2.400 1.00 2.12 H new ATOM 1020 N GLU A 64 10.713 -5.619 3.618 1.00 0.57 N ATOM 1021 CA GLU A 64 10.070 -6.513 4.531 1.00 0.58 C ATOM 1022 C GLU A 64 8.962 -5.900 5.316 1.00 0.56 C ATOM 1023 O GLU A 64 8.486 -6.543 6.251 1.00 0.70 O ATOM 1024 CB GLU A 64 11.146 -7.237 5.359 1.00 0.72 C ATOM 1025 CG GLU A 64 11.055 -8.733 5.052 1.00 0.96 C ATOM 1026 CD GLU A 64 12.338 -9.453 5.440 1.00 1.18 C ATOM 1027 OE1 GLU A 64 13.318 -9.280 4.665 1.00 1.69 O ATOM 1028 OE2 GLU A 64 12.335 -10.175 6.472 1.00 1.71 O ATOM 0 H GLU A 64 10.410 -5.762 2.655 1.00 0.57 H new ATOM 0 HA GLU A 64 9.529 -7.269 3.961 1.00 0.58 H new ATOM 0 HB2 GLU A 64 12.137 -6.857 5.111 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.993 -7.057 6.423 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.214 -9.167 5.592 1.00 0.96 H new ATOM 0 HG3 GLU A 64 10.861 -8.878 3.989 1.00 0.96 H new ATOM 1035 N SER A 65 8.533 -4.685 4.934 1.00 0.51 N ATOM 1036 CA SER A 65 7.550 -3.934 5.650 1.00 0.51 C ATOM 1037 C SER A 65 6.152 -4.335 5.323 1.00 0.43 C ATOM 1038 O SER A 65 5.862 -4.788 4.217 1.00 0.50 O ATOM 1039 CB SER A 65 7.651 -2.435 5.318 1.00 0.65 C ATOM 1040 OG SER A 65 8.915 -1.884 5.657 1.00 1.04 O ATOM 0 H SER A 65 8.881 -4.210 4.101 1.00 0.51 H new ATOM 0 HA SER A 65 7.757 -4.136 6.701 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.469 -2.290 4.253 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.869 -1.895 5.851 1.00 0.65 H new ATOM 0 HG SER A 65 9.457 -1.786 4.847 1.00 1.04 H new ATOM 1046 N THR A 66 5.259 -4.239 6.324 1.00 0.45 N ATOM 1047 CA THR A 66 3.877 -4.576 6.177 1.00 0.45 C ATOM 1048 C THR A 66 3.041 -3.345 6.110 1.00 0.43 C ATOM 1049 O THR A 66 2.850 -2.576 7.050 1.00 0.58 O ATOM 1050 CB THR A 66 3.367 -5.463 7.274 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.201 -6.588 7.509 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.995 -6.087 6.964 1.00 0.78 C ATOM 0 H THR A 66 5.504 -3.918 7.261 1.00 0.45 H new ATOM 0 HA THR A 66 3.800 -5.133 5.243 1.00 0.45 H new ATOM 0 HB THR A 66 3.327 -4.788 8.129 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.823 -7.130 8.233 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.685 -6.717 7.798 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.261 -5.295 6.814 1.00 0.78 H new ATOM 0 HG23 THR A 66 2.066 -6.692 6.060 1.00 0.78 H new ATOM 1060 N LEU A 67 2.371 -3.130 4.963 1.00 0.38 N ATOM 1061 CA LEU A 67 1.400 -2.099 4.765 1.00 0.38 C ATOM 1062 C LEU A 67 0.042 -2.570 5.153 1.00 0.37 C ATOM 1063 O LEU A 67 -0.279 -3.736 4.925 1.00 0.50 O ATOM 1064 CB LEU A 67 1.432 -1.724 3.274 1.00 0.46 C ATOM 1065 CG LEU A 67 2.777 -1.282 2.675 1.00 0.65 C ATOM 1066 CD1 LEU A 67 2.637 -0.799 1.222 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.429 -0.144 3.479 1.00 1.31 C ATOM 0 H LEU A 67 2.514 -3.705 4.132 1.00 0.38 H new ATOM 0 HA LEU A 67 1.631 -1.234 5.387 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.078 -2.584 2.705 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.714 -0.919 3.116 1.00 0.46 H new ATOM 0 HG LEU A 67 3.406 -2.171 2.713 1.00 0.65 H new ATOM 0 HD11 LEU A 67 3.614 -0.498 0.843 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.243 -1.607 0.606 1.00 1.40 H new ATOM 0 HD13 LEU A 67 1.955 0.051 1.185 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.376 0.132 3.016 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.765 0.720 3.490 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.609 -0.477 4.501 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.784 -1.714 5.779 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.141 -2.072 6.054 1.00 0.37 C ATOM 1081 C HIS A 68 -2.993 -1.422 5.019 1.00 0.35 C ATOM 1082 O HIS A 68 -3.073 -0.204 4.867 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.567 -1.671 7.476 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.593 -2.280 8.442 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.458 -1.629 8.879 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.432 -3.577 8.815 1.00 1.48 C ATOM 1087 CE1 HIS A 68 0.283 -2.552 9.549 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.256 -3.756 9.513 1.00 1.51 N ATOM 0 H HIS A 68 -0.516 -0.781 6.093 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.255 -3.155 6.011 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.577 -0.586 7.579 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.578 -2.021 7.684 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -2.135 -4.366 8.593 1.00 1.48 H new ATOM 0 HE1 HIS A 68 1.210 -2.325 10.055 1.00 1.41 H new ATOM 0 HE2 HIS A 68 0.112 -4.620 9.910 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.765 -2.278 4.325 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.720 -1.922 3.322 1.00 0.38 C ATOM 1098 C LEU A 69 -6.063 -1.581 3.867 1.00 0.41 C ATOM 1099 O LEU A 69 -6.748 -2.402 4.476 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.795 -3.034 2.261 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.819 -2.865 1.125 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.418 -1.663 0.253 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.906 -4.079 0.183 1.00 1.14 C ATOM 0 H LEU A 69 -3.718 -3.286 4.476 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.370 -1.002 2.854 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.808 -3.137 1.811 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.011 -3.972 2.772 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.784 -2.735 1.614 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.142 -1.541 -0.553 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.399 -0.760 0.864 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.429 -1.835 -0.171 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.648 -3.886 -0.592 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.934 -4.251 -0.280 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.197 -4.961 0.753 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.470 -0.303 3.768 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.717 0.252 4.197 1.00 0.56 C ATOM 1117 C VAL A 70 -8.322 0.568 2.872 1.00 0.55 C ATOM 1118 O VAL A 70 -7.808 1.051 1.863 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.526 1.501 5.005 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -8.853 2.264 5.159 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -6.936 1.128 6.375 1.00 0.97 C ATOM 0 H VAL A 70 -5.869 0.406 3.348 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.306 -0.400 4.842 1.00 0.56 H new ATOM 0 HB VAL A 70 -6.833 2.164 4.487 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -8.688 3.166 5.749 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.231 2.539 4.174 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.581 1.629 5.663 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -6.794 2.031 6.968 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.619 0.456 6.895 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -5.976 0.632 6.235 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.606 0.173 2.800 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.437 0.293 1.643 1.00 0.84 C ATOM 1133 C LEU A 71 -11.626 1.178 1.791 1.00 0.85 C ATOM 1134 O LEU A 71 -12.346 1.084 2.784 1.00 1.03 O ATOM 1135 CB LEU A 71 -10.980 -1.104 1.297 1.00 1.26 C ATOM 1136 CG LEU A 71 -9.985 -1.985 0.524 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.659 -3.347 0.290 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.554 -1.498 -0.869 1.00 2.78 C ATOM 0 H LEU A 71 -10.089 -0.252 3.591 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.800 0.738 0.879 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.260 -1.613 2.219 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.889 -0.994 0.705 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.088 -1.989 1.143 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -9.979 -4.000 -0.258 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -10.904 -3.801 1.250 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.572 -3.206 -0.288 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.852 -2.211 -1.303 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.430 -1.414 -1.512 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.074 -0.524 -0.781 1.00 2.78 H new