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 180:sc= 0.11 USER MOD Set 1.2: A 9 THR OG1 : rot -18:sc= 0.115 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= 2.49 (180deg=2.3) USER MOD Single : A 2 GLN : amide:sc= 0.475 K(o=0.48,f=-0.037) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 145:sc= 0.292 (180deg=-0.531!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0218 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.897 K(o=0.9,f=-0.66) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 1.27 (180deg=1.12) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.738 K(o=-0.74,f=-1.8) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0393 X(o=-0.039,f=-0.44) USER MOD Single : A 41 GLN : amide:sc= 1.18 K(o=1.2,f=-1.5) USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0115) USER MOD Single : A 49 GLN : amide:sc=-0.000603 X(o=-0.0006,f=-0.46) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.706 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.89 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0245 X(o=-0.024,f=-0.024) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 107:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0107 X(o=0.011,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.495 -7.541 -5.237 1.00 9.67 N ATOM 2 CA MET A 1 11.530 -7.906 -3.780 1.00 10.38 C ATOM 3 C MET A 1 10.139 -8.051 -3.149 1.00 9.62 C ATOM 4 O MET A 1 9.148 -7.640 -3.766 1.00 9.62 O ATOM 5 CB MET A 1 12.533 -6.996 -2.937 1.00 13.77 C ATOM 6 CG MET A 1 12.126 -5.519 -2.755 1.00 16.29 C ATOM 7 SD MET A 1 10.749 -5.118 -1.742 1.00 17.17 S ATOM 8 CE MET A 1 10.927 -3.306 -1.848 1.00 16.11 C ATOM 0 H1 MET A 1 12.461 -7.344 -5.569 1.00 9.67 H new ATOM 0 H2 MET A 1 11.096 -8.331 -5.783 1.00 9.67 H new ATOM 0 H3 MET A 1 10.904 -6.695 -5.369 1.00 9.67 H new ATOM 0 HA MET A 1 11.951 -8.911 -3.738 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.652 -7.442 -1.950 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.510 -7.025 -3.420 1.00 13.77 H new ATOM 0 HG2 MET A 1 12.991 -4.989 -2.355 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.932 -5.110 -3.746 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.139 -2.828 -1.265 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.900 -3.012 -1.453 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.849 -2.993 -2.889 1.00 16.11 H new ATOM 20 N GLN A 2 9.954 -8.629 -1.903 1.00 9.27 N ATOM 21 CA GLN A 2 8.680 -8.990 -1.446 1.00 9.07 C ATOM 22 C GLN A 2 8.329 -8.220 -0.227 1.00 8.72 C ATOM 23 O GLN A 2 9.179 -8.060 0.729 1.00 8.22 O ATOM 24 CB GLN A 2 8.819 -10.508 -1.125 1.00 14.46 C ATOM 25 CG GLN A 2 7.485 -11.180 -0.755 1.00 17.01 C ATOM 26 CD GLN A 2 7.519 -11.476 0.750 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.943 -12.518 1.229 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.880 -10.615 1.514 1.00 19.49 N ATOM 0 H GLN A 2 10.710 -8.827 -1.248 1.00 9.27 H new ATOM 0 HA GLN A 2 7.892 -8.785 -2.171 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.246 -11.017 -1.989 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.522 -10.635 -0.301 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.647 -10.527 -0.998 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.348 -12.100 -1.324 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.526 -9.745 1.116 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.739 -10.818 2.504 1.00 19.49 H new ATOM 37 N ILE A 3 7.097 -7.650 -0.229 1.00 5.87 N ATOM 38 CA ILE A 3 6.522 -6.841 0.915 1.00 5.07 C ATOM 39 C ILE A 3 5.228 -7.502 1.408 1.00 4.01 C ATOM 40 O ILE A 3 4.689 -8.446 0.878 1.00 4.61 O ATOM 41 CB ILE A 3 6.190 -5.325 0.637 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.197 -5.133 -0.540 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.532 -4.575 0.430 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.857 -3.654 -0.791 1.00 10.83 C ATOM 0 H ILE A 3 6.459 -7.730 -1.021 1.00 5.87 H new ATOM 0 HA ILE A 3 7.330 -6.837 1.647 1.00 5.07 H new ATOM 0 HB ILE A 3 5.668 -4.900 1.494 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.625 -5.562 -1.446 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.279 -5.682 -0.330 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.334 -3.521 0.235 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.144 -4.669 1.327 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.063 -5.007 -0.418 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.159 -3.578 -1.625 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.402 -3.228 0.103 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.769 -3.107 -1.030 1.00 10.83 H new ATOM 56 N PHE A 4 4.699 -7.026 2.562 1.00 4.55 N ATOM 57 CA PHE A 4 3.476 -7.541 3.159 1.00 4.68 C ATOM 58 C PHE A 4 2.412 -6.497 3.253 1.00 5.30 C ATOM 59 O PHE A 4 2.752 -5.367 3.607 1.00 5.58 O ATOM 60 CB PHE A 4 3.688 -8.035 4.598 1.00 4.83 C ATOM 61 CG PHE A 4 4.571 -9.204 4.529 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.099 -10.378 3.833 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.865 -9.251 5.152 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.847 -11.596 3.934 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.651 -10.413 5.040 1.00 10.61 C ATOM 66 CZ PHE A 4 6.087 -11.621 4.558 1.00 8.90 C ATOM 0 H PHE A 4 5.124 -6.268 3.096 1.00 4.55 H new ATOM 0 HA PHE A 4 3.179 -8.358 2.501 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.133 -7.252 5.212 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.736 -8.299 5.059 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.194 -10.339 3.244 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.233 -8.398 5.704 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.441 -12.507 3.519 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.693 -10.384 5.324 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.618 -12.554 4.675 1.00 8.90 H new ATOM 76 N VAL A 5 1.180 -6.792 2.898 1.00 4.44 N ATOM 77 CA VAL A 5 0.046 -5.940 2.916 1.00 3.87 C ATOM 78 C VAL A 5 -0.996 -6.529 3.881 1.00 4.93 C ATOM 79 O VAL A 5 -1.446 -7.663 3.687 1.00 6.84 O ATOM 80 CB VAL A 5 -0.561 -5.584 1.578 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.783 -4.695 1.774 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.531 -4.858 0.801 1.00 9.13 C ATOM 0 H VAL A 5 0.942 -7.725 2.561 1.00 4.44 H new ATOM 0 HA VAL A 5 0.408 -4.973 3.265 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.900 -6.468 1.038 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.211 -4.446 0.803 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.525 -5.223 2.373 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.488 -3.779 2.287 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.151 -4.573 -0.180 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.833 -3.964 1.347 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.391 -5.517 0.680 1.00 9.13 H new ATOM 92 N LYS A 6 -1.329 -5.794 4.911 1.00 6.04 N ATOM 93 CA LYS A 6 -2.051 -6.268 6.050 1.00 6.12 C ATOM 94 C LYS A 6 -3.474 -5.653 6.053 1.00 6.57 C ATOM 95 O LYS A 6 -3.640 -4.431 5.763 1.00 5.76 O ATOM 96 CB LYS A 6 -1.262 -5.831 7.271 1.00 7.45 C ATOM 97 CG LYS A 6 -1.836 -6.203 8.653 1.00 11.12 C ATOM 98 CD LYS A 6 -0.667 -6.513 9.581 1.00 14.54 C ATOM 99 CE LYS A 6 -1.127 -6.903 10.954 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.044 -7.272 11.826 1.00 20.55 N ATOM 0 H LYS A 6 -1.090 -4.804 4.975 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.165 -7.352 6.040 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.261 -6.256 7.196 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.152 -4.747 7.232 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.432 -5.382 9.052 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.497 -7.066 8.571 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.071 -7.320 9.156 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.018 -5.640 9.651 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.676 -6.072 11.397 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.823 -7.738 10.874 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.423 -7.531 12.759 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.466 -8.083 11.422 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.609 -6.469 11.928 1.00 20.55 H new ATOM 114 N THR A 7 -4.566 -6.460 6.314 1.00 7.41 N ATOM 115 CA THR A 7 -5.849 -5.938 6.012 1.00 7.48 C ATOM 116 C THR A 7 -6.752 -5.987 7.257 1.00 8.75 C ATOM 117 O THR A 7 -6.388 -6.493 8.299 1.00 8.58 O ATOM 118 CB THR A 7 -6.518 -6.773 4.915 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.980 -8.058 5.403 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.442 -7.028 3.831 1.00 9.17 C ATOM 0 H THR A 7 -4.539 -7.401 6.706 1.00 7.41 H new ATOM 0 HA THR A 7 -5.720 -4.908 5.678 1.00 7.48 H new ATOM 0 HB THR A 7 -7.386 -6.232 4.539 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.401 -8.554 4.670 1.00 11.78 H new ATOM 0 HG21 THR A 7 -5.872 -7.622 3.024 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.093 -6.075 3.434 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.603 -7.567 4.271 1.00 9.17 H new ATOM 128 N LEU A 8 -7.914 -5.374 7.167 1.00 9.84 N ATOM 129 CA LEU A 8 -8.781 -5.126 8.337 1.00 14.15 C ATOM 130 C LEU A 8 -9.551 -6.352 8.629 1.00 17.37 C ATOM 131 O LEU A 8 -9.988 -6.659 9.761 1.00 17.01 O ATOM 132 CB LEU A 8 -9.773 -3.946 8.119 1.00 16.63 C ATOM 133 CG LEU A 8 -9.087 -2.632 7.886 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.175 -1.635 7.465 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.329 -2.157 9.134 1.00 18.59 C ATOM 0 H LEU A 8 -8.298 -5.027 6.288 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.133 -4.854 9.170 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.413 -4.171 7.266 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.422 -3.860 8.990 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.331 -2.726 7.106 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.724 -0.660 7.283 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.658 -1.987 6.553 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.917 -1.549 8.259 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.846 -1.203 8.925 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.029 -2.036 9.961 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.573 -2.895 9.403 1.00 18.59 H new ATOM 147 N THR A 9 -9.695 -7.267 7.686 1.00 18.33 N ATOM 148 CA THR A 9 -10.201 -8.626 8.002 1.00 19.24 C ATOM 149 C THR A 9 -9.240 -9.507 8.783 1.00 19.48 C ATOM 150 O THR A 9 -9.727 -10.365 9.576 1.00 23.14 O ATOM 151 CB THR A 9 -10.646 -9.462 6.805 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.603 -9.647 5.859 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.896 -8.823 6.196 1.00 19.70 C ATOM 0 H THR A 9 -9.476 -7.114 6.702 1.00 18.33 H new ATOM 0 HA THR A 9 -11.063 -8.358 8.613 1.00 19.24 H new ATOM 0 HB THR A 9 -10.898 -10.468 7.142 1.00 18.97 H new ATOM 0 HG1 THR A 9 -8.901 -8.980 6.011 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.225 -9.411 5.339 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.690 -8.794 6.942 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.665 -7.808 5.872 1.00 19.70 H new ATOM 161 N GLY A 10 -7.932 -9.266 8.629 1.00 19.43 N ATOM 162 CA GLY A 10 -6.890 -9.816 9.437 1.00 18.74 C ATOM 163 C GLY A 10 -6.053 -10.793 8.668 1.00 17.62 C ATOM 164 O GLY A 10 -5.215 -11.495 9.257 1.00 19.74 O ATOM 0 H GLY A 10 -7.578 -8.650 7.897 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.258 -9.012 9.814 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.325 -10.312 10.304 1.00 18.74 H new ATOM 168 N LYS A 11 -6.198 -10.846 7.329 1.00 13.56 N ATOM 169 CA LYS A 11 -5.224 -11.585 6.518 1.00 11.91 C ATOM 170 C LYS A 11 -4.011 -10.743 6.072 1.00 10.18 C ATOM 171 O LYS A 11 -3.942 -9.526 6.148 1.00 9.10 O ATOM 172 CB LYS A 11 -5.869 -12.350 5.315 1.00 13.43 C ATOM 173 CG LYS A 11 -6.558 -11.424 4.273 1.00 16.69 C ATOM 174 CD LYS A 11 -6.852 -12.085 2.894 1.00 17.92 C ATOM 175 CE LYS A 11 -7.065 -11.022 1.881 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.081 -11.579 0.495 1.00 21.93 N ATOM 0 H LYS A 11 -6.953 -10.402 6.806 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.833 -12.341 7.199 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -5.097 -12.934 4.813 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.604 -13.057 5.699 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.497 -11.065 4.694 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.926 -10.550 4.112 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.020 -12.724 2.599 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.734 -12.721 2.963 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.008 -10.513 2.080 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.275 -10.275 1.965 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.761 -11.047 -0.085 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.132 -11.498 0.077 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.361 -12.580 0.526 1.00 21.93 H new ATOM 190 N THR A 12 -3.022 -11.405 5.535 1.00 9.63 N ATOM 191 CA THR A 12 -1.807 -10.661 5.094 1.00 9.85 C ATOM 192 C THR A 12 -1.414 -11.236 3.758 1.00 11.66 C ATOM 193 O THR A 12 -1.291 -12.420 3.602 1.00 12.33 O ATOM 194 CB THR A 12 -0.555 -10.882 6.019 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.856 -10.785 7.400 1.00 10.91 O ATOM 196 CG2 THR A 12 0.583 -9.902 5.615 1.00 9.63 C ATOM 0 H THR A 12 -3.001 -12.414 5.384 1.00 9.63 H new ATOM 0 HA THR A 12 -2.059 -9.600 5.097 1.00 9.85 H new ATOM 0 HB THR A 12 -0.217 -11.907 5.864 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.041 -10.933 7.924 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.447 -10.061 6.261 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.867 -10.082 4.578 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.234 -8.875 5.723 1.00 9.63 H new ATOM 204 N ILE A 13 -1.329 -10.341 2.727 1.00 10.42 N ATOM 205 CA ILE A 13 -0.966 -10.807 1.405 1.00 11.84 C ATOM 206 C ILE A 13 0.367 -10.238 1.093 1.00 10.55 C ATOM 207 O ILE A 13 0.679 -9.068 1.415 1.00 11.92 O ATOM 208 CB ILE A 13 -2.063 -10.659 0.430 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.468 -9.179 0.409 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.180 -11.635 0.813 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.417 -8.953 -0.745 1.00 16.46 C ATOM 0 H ILE A 13 -1.504 -9.339 2.805 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.838 -11.888 1.349 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.779 -10.917 -0.590 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.945 -8.904 1.350 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.586 -8.547 0.302 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.003 -11.542 0.104 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -2.795 -12.655 0.791 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.538 -11.403 1.816 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.714 -7.904 -0.772 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.922 -9.214 -1.680 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.301 -9.577 -0.616 1.00 16.46 H new ATOM 223 N THR A 14 1.176 -11.080 0.483 1.00 9.39 N ATOM 224 CA THR A 14 2.370 -10.604 -0.231 1.00 9.63 C ATOM 225 C THR A 14 2.083 -9.742 -1.479 1.00 11.20 C ATOM 226 O THR A 14 1.117 -9.927 -2.231 1.00 11.63 O ATOM 227 CB THR A 14 3.304 -11.717 -0.742 1.00 10.38 C ATOM 228 OG1 THR A 14 2.620 -12.738 -1.394 1.00 16.30 O ATOM 229 CG2 THR A 14 4.043 -12.321 0.407 1.00 11.66 C ATOM 0 H THR A 14 1.041 -12.091 0.460 1.00 9.39 H new ATOM 0 HA THR A 14 2.841 -10.017 0.557 1.00 9.63 H new ATOM 0 HB THR A 14 3.984 -11.249 -1.454 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.258 -13.416 -1.699 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.703 -13.108 0.042 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.635 -11.552 0.903 1.00 11.66 H new ATOM 0 HG23 THR A 14 3.331 -12.744 1.116 1.00 11.66 H new ATOM 237 N LEU A 15 3.066 -8.771 -1.733 1.00 8.29 N ATOM 238 CA LEU A 15 3.234 -8.163 -3.090 1.00 9.03 C ATOM 239 C LEU A 15 4.653 -8.259 -3.463 1.00 8.59 C ATOM 240 O LEU A 15 5.571 -8.070 -2.613 1.00 7.79 O ATOM 241 CB LEU A 15 2.880 -6.681 -3.004 1.00 11.08 C ATOM 242 CG LEU A 15 1.390 -6.301 -2.767 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.104 -4.837 -2.744 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.421 -6.889 -3.844 1.00 15.27 C ATOM 0 H LEU A 15 3.717 -8.421 -1.030 1.00 8.29 H new ATOM 0 HA LEU A 15 2.600 -8.673 -3.815 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.469 -6.243 -2.198 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.203 -6.206 -3.930 1.00 11.08 H new ATOM 0 HG LEU A 15 1.215 -6.732 -1.781 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.039 -4.677 -2.573 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.675 -4.367 -1.943 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.388 -4.396 -3.699 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.601 -6.585 -3.618 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.701 -6.515 -4.829 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.486 -7.977 -3.837 1.00 15.27 H new ATOM 256 N GLU A 16 4.912 -8.543 -4.764 1.00 11.04 N ATOM 257 CA GLU A 16 6.220 -8.574 -5.316 1.00 11.50 C ATOM 258 C GLU A 16 6.417 -7.187 -5.993 1.00 10.13 C ATOM 259 O GLU A 16 5.664 -6.848 -6.923 1.00 9.83 O ATOM 260 CB GLU A 16 6.363 -9.740 -6.376 1.00 17.22 C ATOM 261 CG GLU A 16 7.680 -9.851 -7.231 1.00 23.33 C ATOM 262 CD GLU A 16 8.984 -10.090 -6.438 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.175 -11.108 -5.779 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.888 -9.198 -6.526 1.00 28.86 O ATOM 0 H GLU A 16 4.180 -8.756 -5.442 1.00 11.04 H new ATOM 0 HA GLU A 16 6.973 -8.762 -4.550 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.238 -10.683 -5.844 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.528 -9.654 -7.071 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.558 -10.665 -7.945 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.793 -8.934 -7.809 1.00 23.33 H new ATOM 271 N VAL A 17 7.384 -6.396 -5.586 1.00 8.99 N ATOM 272 CA VAL A 17 7.644 -5.064 -6.074 1.00 8.85 C ATOM 273 C VAL A 17 9.106 -4.707 -6.208 1.00 8.04 C ATOM 274 O VAL A 17 9.955 -5.359 -5.659 1.00 8.99 O ATOM 275 CB VAL A 17 7.058 -4.081 -5.123 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.486 -4.357 -5.090 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.604 -4.250 -3.685 1.00 10.54 C ATOM 0 H VAL A 17 8.046 -6.683 -4.865 1.00 8.99 H new ATOM 0 HA VAL A 17 7.203 -5.034 -7.070 1.00 8.85 H new ATOM 0 HB VAL A 17 7.312 -3.074 -5.455 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.008 -3.658 -4.403 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.072 -4.224 -6.090 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.303 -5.378 -4.755 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.144 -3.508 -3.032 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.368 -5.250 -3.321 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.685 -4.111 -3.688 1.00 10.54 H new ATOM 287 N GLU A 18 9.443 -3.720 -7.062 1.00 7.29 N ATOM 288 CA GLU A 18 10.750 -3.159 -7.198 1.00 7.08 C ATOM 289 C GLU A 18 10.818 -1.998 -6.214 1.00 6.45 C ATOM 290 O GLU A 18 9.755 -1.422 -5.826 1.00 5.28 O ATOM 291 CB GLU A 18 10.874 -2.592 -8.715 1.00 10.28 C ATOM 292 CG GLU A 18 12.262 -2.487 -9.233 1.00 12.65 C ATOM 293 CD GLU A 18 12.901 -3.828 -9.409 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.455 -4.580 -10.286 1.00 18.17 O ATOM 295 OE2 GLU A 18 13.851 -4.157 -8.704 1.00 14.33 O ATOM 0 H GLU A 18 8.764 -3.292 -7.691 1.00 7.29 H new ATOM 0 HA GLU A 18 11.545 -3.879 -7.005 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.303 -3.242 -9.378 1.00 10.28 H new ATOM 0 HB3 GLU A 18 10.410 -1.606 -8.758 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.253 -1.962 -10.188 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.860 -1.888 -8.546 1.00 12.65 H new ATOM 302 N PRO A 19 12.000 -1.595 -5.656 1.00 7.24 N ATOM 303 CA PRO A 19 12.203 -0.308 -4.927 1.00 7.07 C ATOM 304 C PRO A 19 11.694 0.924 -5.715 1.00 6.65 C ATOM 305 O PRO A 19 11.304 1.923 -5.112 1.00 6.37 O ATOM 306 CB PRO A 19 13.788 -0.324 -4.610 1.00 7.61 C ATOM 307 CG PRO A 19 14.093 -1.837 -4.509 1.00 8.16 C ATOM 308 CD PRO A 19 13.197 -2.399 -5.619 1.00 7.49 C ATOM 0 HA PRO A 19 11.615 -0.221 -4.014 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.365 0.155 -5.401 1.00 7.61 H new ATOM 0 HB3 PRO A 19 14.022 0.200 -3.683 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.147 -2.056 -4.681 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.838 -2.243 -3.530 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.711 -2.367 -6.580 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.952 -3.443 -5.423 1.00 7.49 H new ATOM 316 N SER A 20 11.766 0.815 -7.070 1.00 6.80 N ATOM 317 CA SER A 20 11.211 1.835 -7.937 1.00 6.28 C ATOM 318 C SER A 20 9.726 2.057 -7.936 1.00 8.45 C ATOM 319 O SER A 20 9.261 3.127 -8.369 1.00 7.26 O ATOM 320 CB SER A 20 11.682 1.534 -9.444 1.00 8.57 C ATOM 321 OG SER A 20 13.009 0.980 -9.448 1.00 11.13 O ATOM 0 H SER A 20 12.202 0.033 -7.559 1.00 6.80 H new ATOM 0 HA SER A 20 11.601 2.761 -7.515 1.00 6.28 H new ATOM 0 HB2 SER A 20 10.988 0.839 -9.918 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.662 2.453 -10.030 1.00 8.57 H new ATOM 0 HG SER A 20 13.285 0.799 -10.371 1.00 11.13 H new ATOM 327 N ASP A 21 8.886 1.050 -7.682 1.00 7.50 N ATOM 328 CA ASP A 21 7.453 1.042 -7.633 1.00 7.70 C ATOM 329 C ASP A 21 7.018 1.999 -6.537 1.00 7.08 C ATOM 330 O ASP A 21 7.427 2.071 -5.403 1.00 8.11 O ATOM 331 CB ASP A 21 6.973 -0.404 -7.407 1.00 11.00 C ATOM 332 CG ASP A 21 6.971 -1.068 -8.709 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.334 -0.604 -9.662 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.649 -2.113 -8.872 1.00 18.03 O ATOM 0 H ASP A 21 9.256 0.120 -7.485 1.00 7.50 H new ATOM 0 HA ASP A 21 7.004 1.381 -8.567 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.632 -0.924 -6.711 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.975 -0.414 -6.969 1.00 11.00 H new ATOM 339 N THR A 22 6.017 2.802 -6.996 1.00 5.37 N ATOM 340 CA THR A 22 5.362 3.839 -6.200 1.00 6.01 C ATOM 341 C THR A 22 4.177 3.335 -5.400 1.00 8.01 C ATOM 342 O THR A 22 3.756 2.221 -5.599 1.00 8.11 O ATOM 343 CB THR A 22 4.927 4.958 -7.059 1.00 8.92 C ATOM 344 OG1 THR A 22 4.067 4.556 -8.070 1.00 10.22 O ATOM 345 CG2 THR A 22 6.067 5.689 -7.722 1.00 9.65 C ATOM 0 H THR A 22 5.649 2.733 -7.945 1.00 5.37 H new ATOM 0 HA THR A 22 6.112 4.178 -5.485 1.00 6.01 H new ATOM 0 HB THR A 22 4.417 5.625 -6.364 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.808 5.333 -8.608 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.672 6.498 -8.337 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.727 6.102 -6.959 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.627 4.996 -8.350 1.00 9.65 H new ATOM 353 N ILE A 23 3.574 4.191 -4.541 1.00 8.32 N ATOM 354 CA ILE A 23 2.435 3.801 -3.718 1.00 9.92 C ATOM 355 C ILE A 23 1.108 3.682 -4.517 1.00 10.01 C ATOM 356 O ILE A 23 0.194 2.945 -4.128 1.00 8.71 O ATOM 357 CB ILE A 23 2.398 4.698 -2.486 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.696 4.749 -1.625 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.147 4.533 -1.584 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.112 3.372 -1.014 1.00 12.30 C ATOM 0 H ILE A 23 3.869 5.158 -4.409 1.00 8.32 H new ATOM 0 HA ILE A 23 2.563 2.778 -3.363 1.00 9.92 H new ATOM 0 HB ILE A 23 2.323 5.674 -2.966 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.514 5.122 -2.242 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.554 5.465 -0.816 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.217 5.214 -0.736 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.250 4.762 -2.160 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.093 3.507 -1.221 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.024 3.494 -0.430 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.314 3.004 -0.369 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.288 2.656 -1.817 1.00 12.30 H new ATOM 372 N GLU A 24 1.013 4.348 -5.644 1.00 9.54 N ATOM 373 CA GLU A 24 -0.012 4.098 -6.660 1.00 11.81 C ATOM 374 C GLU A 24 0.123 2.657 -7.255 1.00 11.14 C ATOM 375 O GLU A 24 -0.877 1.974 -7.410 1.00 10.62 O ATOM 376 CB GLU A 24 -0.028 5.164 -7.756 1.00 19.24 C ATOM 377 CG GLU A 24 -1.365 5.222 -8.533 1.00 27.76 C ATOM 378 CD GLU A 24 -1.387 6.271 -9.640 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.614 5.924 -10.593 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.023 7.392 -9.593 1.00 36.51 O ATOM 0 H GLU A 24 1.656 5.099 -5.897 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.977 4.164 -6.158 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.167 6.139 -7.308 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.783 4.967 -8.457 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.564 4.243 -8.969 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.173 5.430 -7.832 1.00 27.76 H new ATOM 387 N ASN A 25 1.355 2.233 -7.526 1.00 9.43 N ATOM 388 CA ASN A 25 1.694 0.927 -8.095 1.00 10.96 C ATOM 389 C ASN A 25 1.317 -0.098 -7.078 1.00 9.68 C ATOM 390 O ASN A 25 0.840 -1.127 -7.461 1.00 9.33 O ATOM 391 CB ASN A 25 3.157 0.913 -8.614 1.00 16.78 C ATOM 392 CG ASN A 25 3.472 1.854 -9.794 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.744 2.752 -10.142 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.668 1.648 -10.388 1.00 24.70 N ATOM 0 H ASN A 25 2.177 2.810 -7.349 1.00 9.43 H new ATOM 0 HA ASN A 25 1.132 0.687 -8.997 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.817 1.171 -7.785 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.404 -0.106 -8.913 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.972 2.258 -11.147 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.267 0.883 -10.077 1.00 24.70 H new ATOM 401 N VAL A 26 1.600 0.157 -5.772 1.00 6.52 N ATOM 402 CA VAL A 26 1.151 -0.649 -4.638 1.00 5.53 C ATOM 403 C VAL A 26 -0.365 -0.797 -4.666 1.00 4.42 C ATOM 404 O VAL A 26 -0.886 -1.911 -4.745 1.00 3.40 O ATOM 405 CB VAL A 26 1.660 -0.246 -3.218 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.234 -1.216 -2.100 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.205 -0.255 -3.248 1.00 8.12 C ATOM 0 H VAL A 26 2.165 0.957 -5.487 1.00 6.52 H new ATOM 0 HA VAL A 26 1.640 -1.611 -4.794 1.00 5.53 H new ATOM 0 HB VAL A 26 1.227 0.729 -2.996 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.627 -0.866 -1.145 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.146 -1.259 -2.051 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.627 -2.210 -2.312 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.590 0.023 -2.267 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.558 -1.253 -3.506 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.559 0.459 -3.992 1.00 8.12 H new ATOM 417 N LYS A 27 -1.125 0.276 -4.833 1.00 2.64 N ATOM 418 CA LYS A 27 -2.611 0.172 -4.862 1.00 4.14 C ATOM 419 C LYS A 27 -3.220 -0.388 -6.068 1.00 5.58 C ATOM 420 O LYS A 27 -4.082 -1.256 -5.909 1.00 4.11 O ATOM 421 CB LYS A 27 -3.172 1.615 -4.510 1.00 3.97 C ATOM 422 CG LYS A 27 -2.754 2.141 -3.121 1.00 7.45 C ATOM 423 CD LYS A 27 -2.972 3.713 -3.039 1.00 9.02 C ATOM 424 CE LYS A 27 -2.801 4.241 -1.592 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.387 5.643 -1.658 1.00 15.47 N ATOM 0 H LYS A 27 -0.763 1.222 -4.950 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.898 -0.579 -4.126 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.831 2.319 -5.269 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.260 1.591 -4.563 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.338 1.645 -2.346 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.707 1.902 -2.934 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.260 4.214 -3.695 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.969 3.961 -3.401 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.330 3.618 -0.871 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.754 4.257 -1.291 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.127 6.169 -0.799 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.013 6.137 -2.493 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.423 5.583 -1.726 1.00 15.47 H new ATOM 439 N ALA A 28 -2.644 -0.160 -7.271 1.00 6.61 N ATOM 440 CA ALA A 28 -2.900 -0.931 -8.471 1.00 7.74 C ATOM 441 C ALA A 28 -2.720 -2.454 -8.363 1.00 9.17 C ATOM 442 O ALA A 28 -3.559 -3.207 -8.841 1.00 11.45 O ATOM 443 CB ALA A 28 -2.127 -0.263 -9.657 1.00 7.68 C ATOM 0 H ALA A 28 -1.971 0.592 -7.419 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.972 -0.888 -8.663 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.306 -0.828 -10.572 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.477 0.761 -9.789 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.059 -0.256 -9.438 1.00 7.68 H new ATOM 449 N LYS A 29 -1.615 -2.930 -7.827 1.00 8.96 N ATOM 450 CA LYS A 29 -1.273 -4.280 -7.608 1.00 7.90 C ATOM 451 C LYS A 29 -2.160 -4.896 -6.548 1.00 6.92 C ATOM 452 O LYS A 29 -2.384 -6.087 -6.685 1.00 6.87 O ATOM 453 CB LYS A 29 0.186 -4.475 -7.227 1.00 10.28 C ATOM 454 CG LYS A 29 1.241 -4.205 -8.333 1.00 14.94 C ATOM 455 CD LYS A 29 2.690 -4.221 -7.873 1.00 19.69 C ATOM 456 CE LYS A 29 3.676 -3.423 -8.744 1.00 22.63 C ATOM 457 NZ LYS A 29 3.834 -4.151 -10.004 1.00 24.98 N ATOM 0 H LYS A 29 -0.876 -2.302 -7.510 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.430 -4.786 -8.561 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.406 -3.823 -6.381 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.312 -5.501 -6.880 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.119 -4.952 -9.117 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.031 -3.234 -8.782 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.733 -3.830 -6.856 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.027 -5.257 -7.831 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.299 -2.417 -8.927 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.636 -3.317 -8.239 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.497 -3.638 -10.620 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.206 -5.103 -9.811 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.911 -4.230 -10.477 1.00 24.98 H new ATOM 471 N ILE A 30 -2.568 -4.151 -5.481 1.00 4.57 N ATOM 472 CA ILE A 30 -3.745 -4.495 -4.652 1.00 5.58 C ATOM 473 C ILE A 30 -5.024 -4.471 -5.453 1.00 7.26 C ATOM 474 O ILE A 30 -5.682 -5.480 -5.371 1.00 9.46 O ATOM 475 CB ILE A 30 -3.852 -3.697 -3.382 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.701 -4.080 -2.346 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.251 -3.897 -2.727 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.833 -5.491 -1.730 1.00 2.00 C ATOM 0 H ILE A 30 -2.089 -3.302 -5.179 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.582 -5.523 -4.327 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.729 -2.646 -3.645 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.737 -4.007 -2.850 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.696 -3.345 -1.541 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.310 -3.312 -1.809 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.027 -3.567 -3.418 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.397 -4.952 -2.495 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -2.008 -5.665 -1.039 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.779 -5.567 -1.193 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.805 -6.238 -2.523 1.00 2.00 H new ATOM 490 N GLN A 31 -5.365 -3.511 -6.317 1.00 7.06 N ATOM 491 CA GLN A 31 -6.616 -3.636 -7.111 1.00 8.67 C ATOM 492 C GLN A 31 -6.694 -4.892 -7.923 1.00 10.90 C ATOM 493 O GLN A 31 -7.677 -5.647 -7.851 1.00 9.63 O ATOM 494 CB GLN A 31 -6.614 -2.421 -8.104 1.00 9.12 C ATOM 495 CG GLN A 31 -7.877 -2.148 -8.963 1.00 10.76 C ATOM 496 CD GLN A 31 -7.762 -0.858 -9.793 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.599 0.061 -9.690 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.605 -0.699 -10.518 1.00 14.76 N ATOM 0 H GLN A 31 -4.824 -2.664 -6.490 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.462 -3.657 -6.425 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.411 -1.522 -7.523 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.775 -2.556 -8.787 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.046 -2.992 -9.632 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.747 -2.079 -8.311 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.937 -1.466 -10.587 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.415 0.186 -10.987 1.00 14.76 H new ATOM 507 N ASP A 32 -5.586 -5.303 -8.544 1.00 10.93 N ATOM 508 CA ASP A 32 -5.332 -6.467 -9.249 1.00 14.01 C ATOM 509 C ASP A 32 -5.516 -7.716 -8.390 1.00 14.04 C ATOM 510 O ASP A 32 -5.975 -8.797 -8.831 1.00 13.39 O ATOM 511 CB ASP A 32 -3.903 -6.323 -9.868 1.00 18.01 C ATOM 512 CG ASP A 32 -3.473 -7.392 -10.866 1.00 24.33 C ATOM 513 OD1 ASP A 32 -2.913 -8.383 -10.378 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.562 -7.236 -12.116 1.00 26.29 O ATOM 0 H ASP A 32 -4.757 -4.709 -8.534 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.056 -6.604 -10.052 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.844 -5.354 -10.363 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.180 -6.310 -9.053 1.00 18.01 H new ATOM 519 N LYS A 33 -5.175 -7.714 -7.053 1.00 14.22 N ATOM 520 CA LYS A 33 -5.419 -8.873 -6.198 1.00 14.00 C ATOM 521 C LYS A 33 -6.815 -8.927 -5.685 1.00 12.37 C ATOM 522 O LYS A 33 -7.522 -9.877 -5.929 1.00 12.17 O ATOM 523 CB LYS A 33 -4.330 -8.996 -5.040 1.00 18.62 C ATOM 524 CG LYS A 33 -3.080 -9.635 -5.614 1.00 24.00 C ATOM 525 CD LYS A 33 -1.980 -9.879 -4.548 1.00 27.61 C ATOM 526 CE LYS A 33 -0.689 -10.395 -5.127 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.793 -11.754 -5.573 1.00 30.06 N ATOM 0 H LYS A 33 -4.739 -6.924 -6.578 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.305 -9.755 -6.828 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.098 -8.012 -4.633 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.719 -9.597 -4.218 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.345 -10.585 -6.079 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.680 -8.995 -6.401 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.785 -8.947 -4.018 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.350 -10.592 -3.812 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.391 -9.763 -5.964 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.098 -10.321 -4.376 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.121 -12.062 -5.963 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.051 -12.364 -4.771 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.524 -11.823 -6.309 1.00 30.06 H new ATOM 541 N GLU A 34 -7.247 -7.842 -4.903 1.00 10.11 N ATOM 542 CA GLU A 34 -8.397 -7.821 -4.050 1.00 10.07 C ATOM 543 C GLU A 34 -9.662 -7.199 -4.578 1.00 9.32 C ATOM 544 O GLU A 34 -10.720 -7.392 -4.077 1.00 11.61 O ATOM 545 CB GLU A 34 -7.926 -7.027 -2.825 1.00 14.77 C ATOM 546 CG GLU A 34 -6.762 -7.704 -2.055 1.00 18.75 C ATOM 547 CD GLU A 34 -7.174 -9.069 -1.456 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.982 -9.161 -0.500 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.635 -10.129 -1.904 1.00 21.95 O ATOM 0 H GLU A 34 -6.743 -6.956 -4.893 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.701 -8.854 -3.883 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.609 -6.035 -3.146 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.768 -6.889 -2.146 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.917 -7.845 -2.728 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.426 -7.045 -1.255 1.00 18.75 H new ATOM 556 N GLY A 35 -9.503 -6.487 -5.751 1.00 7.22 N ATOM 557 CA GLY A 35 -10.711 -5.849 -6.369 1.00 6.29 C ATOM 558 C GLY A 35 -11.099 -4.497 -5.912 1.00 6.93 C ATOM 559 O GLY A 35 -12.158 -4.003 -6.168 1.00 7.41 O ATOM 0 H GLY A 35 -8.623 -6.351 -6.248 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.549 -5.802 -7.446 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.560 -6.513 -6.203 1.00 6.29 H new ATOM 563 N ILE A 36 -10.172 -3.796 -5.222 1.00 5.86 N ATOM 564 CA ILE A 36 -10.428 -2.511 -4.644 1.00 6.07 C ATOM 565 C ILE A 36 -9.753 -1.362 -5.310 1.00 6.36 C ATOM 566 O ILE A 36 -8.537 -1.205 -5.308 1.00 6.18 O ATOM 567 CB ILE A 36 -9.890 -2.465 -3.217 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.317 -3.718 -2.402 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.329 -1.209 -2.493 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.460 -3.975 -1.132 1.00 9.49 C ATOM 0 H ILE A 36 -9.223 -4.133 -5.064 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.509 -2.406 -4.737 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.803 -2.457 -3.296 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.360 -3.607 -2.106 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.261 -4.594 -3.048 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.926 -1.213 -1.480 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.960 -0.333 -3.027 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.418 -1.175 -2.450 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.824 -4.867 -0.622 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.419 -4.121 -1.419 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.535 -3.118 -0.463 1.00 9.49 H new ATOM 582 N PRO A 37 -10.495 -0.407 -5.897 1.00 8.65 N ATOM 583 CA PRO A 37 -9.989 0.864 -6.426 1.00 9.18 C ATOM 584 C PRO A 37 -8.891 1.602 -5.685 1.00 9.85 C ATOM 585 O PRO A 37 -9.181 1.801 -4.529 1.00 8.51 O ATOM 586 CB PRO A 37 -11.242 1.691 -6.774 1.00 11.42 C ATOM 587 CG PRO A 37 -12.359 0.694 -6.902 1.00 9.27 C ATOM 588 CD PRO A 37 -11.908 -0.456 -6.013 1.00 8.33 C ATOM 0 HA PRO A 37 -9.379 0.644 -7.302 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.457 2.423 -5.996 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.102 2.244 -7.703 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.310 1.111 -6.569 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.496 0.374 -7.935 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.372 -0.379 -5.030 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.220 -1.409 -6.439 1.00 8.33 H new ATOM 596 N PRO A 38 -7.777 2.134 -6.243 1.00 8.71 N ATOM 597 CA PRO A 38 -6.752 2.795 -5.451 1.00 9.08 C ATOM 598 C PRO A 38 -7.267 3.969 -4.711 1.00 9.28 C ATOM 599 O PRO A 38 -6.648 4.280 -3.734 1.00 6.50 O ATOM 600 CB PRO A 38 -5.655 3.251 -6.510 1.00 10.31 C ATOM 601 CG PRO A 38 -5.711 2.069 -7.525 1.00 10.81 C ATOM 602 CD PRO A 38 -7.214 1.682 -7.535 1.00 12.00 C ATOM 0 HA PRO A 38 -6.361 2.123 -4.687 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.902 4.205 -6.975 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.668 3.362 -6.060 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.366 2.371 -8.514 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.083 1.236 -7.209 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.730 2.156 -8.370 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.336 0.606 -7.655 1.00 12.00 H new ATOM 610 N ASP A 39 -8.384 4.634 -5.128 1.00 11.20 N ATOM 611 CA ASP A 39 -8.980 5.744 -4.406 1.00 14.96 C ATOM 612 C ASP A 39 -9.803 5.222 -3.195 1.00 13.99 C ATOM 613 O ASP A 39 -10.094 5.966 -2.239 1.00 13.75 O ATOM 614 CB ASP A 39 -9.942 6.463 -5.345 1.00 24.16 C ATOM 615 CG ASP A 39 -9.146 7.351 -6.268 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.538 8.281 -5.732 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.137 7.124 -7.505 1.00 35.55 O ATOM 0 H ASP A 39 -8.883 4.394 -5.985 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.189 6.407 -4.054 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.518 5.739 -5.921 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.656 7.056 -4.773 1.00 24.16 H new ATOM 622 N GLN A 40 -10.175 3.935 -3.114 1.00 11.60 N ATOM 623 CA GLN A 40 -10.877 3.396 -2.030 1.00 10.76 C ATOM 624 C GLN A 40 -9.863 2.751 -1.038 1.00 8.01 C ATOM 625 O GLN A 40 -10.269 1.979 -0.156 1.00 8.96 O ATOM 626 CB GLN A 40 -11.881 2.344 -2.475 1.00 11.14 C ATOM 627 CG GLN A 40 -13.204 2.952 -2.928 1.00 14.85 C ATOM 628 CD GLN A 40 -14.125 1.998 -3.594 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.560 2.229 -4.712 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.443 0.787 -2.924 1.00 18.16 N ATOM 0 H GLN A 40 -9.970 3.253 -3.844 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.428 4.203 -1.548 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.454 1.762 -3.292 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.066 1.652 -1.653 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.708 3.379 -2.061 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.996 3.774 -3.613 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.072 0.608 -1.991 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.042 0.096 -3.376 1.00 18.16 H new ATOM 639 N GLN A 41 -8.603 3.194 -1.142 1.00 6.52 N ATOM 640 CA GLN A 41 -7.496 2.597 -0.425 1.00 3.87 C ATOM 641 C GLN A 41 -6.666 3.714 0.302 1.00 4.79 C ATOM 642 O GLN A 41 -6.288 4.759 -0.239 1.00 6.34 O ATOM 643 CB GLN A 41 -6.430 1.913 -1.301 1.00 4.20 C ATOM 644 CG GLN A 41 -7.037 0.671 -2.048 1.00 3.20 C ATOM 645 CD GLN A 41 -5.941 -0.144 -2.724 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.900 -0.346 -2.063 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.174 -0.616 -3.949 1.00 7.13 N ATOM 0 H GLN A 41 -8.334 3.981 -1.732 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.986 1.868 0.220 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.038 2.625 -2.028 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.591 1.596 -0.681 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.578 0.044 -1.339 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.759 1.006 -2.793 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.054 -0.403 -4.419 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.472 -1.190 -4.416 1.00 7.13 H new ATOM 656 N ARG A 42 -6.483 3.582 1.644 1.00 5.73 N ATOM 657 CA ARG A 42 -5.491 4.211 2.445 1.00 6.97 C ATOM 658 C ARG A 42 -4.372 3.274 2.985 1.00 7.15 C ATOM 659 O ARG A 42 -4.628 2.159 3.463 1.00 7.33 O ATOM 660 CB ARG A 42 -6.055 4.932 3.738 1.00 13.23 C ATOM 661 CG ARG A 42 -6.768 6.197 3.276 1.00 21.27 C ATOM 662 CD ARG A 42 -6.746 7.255 4.369 1.00 26.14 C ATOM 663 NE ARG A 42 -7.386 8.563 3.894 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.656 8.933 4.165 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.612 8.094 4.629 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.008 10.205 3.957 1.00 36.39 N ATOM 0 H ARG A 42 -7.090 2.980 2.200 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.088 4.921 1.723 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.742 4.277 4.274 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.245 5.176 4.426 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.287 6.584 2.378 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.799 5.963 3.010 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.278 6.885 5.246 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.717 7.442 4.676 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.815 9.197 3.336 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.392 7.112 4.796 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.552 8.444 4.812 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.323 10.872 3.601 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.961 10.509 4.154 1.00 36.39 H new ATOM 680 N LEU A 43 -3.097 3.676 2.860 1.00 4.65 N ATOM 681 CA LEU A 43 -1.936 2.960 3.267 1.00 3.51 C ATOM 682 C LEU A 43 -1.276 3.651 4.353 1.00 5.56 C ATOM 683 O LEU A 43 -1.232 4.879 4.424 1.00 4.19 O ATOM 684 CB LEU A 43 -0.976 2.776 2.035 1.00 3.74 C ATOM 685 CG LEU A 43 -1.411 1.611 1.075 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.442 1.571 -0.122 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.461 0.275 1.810 1.00 6.41 C ATOM 0 H LEU A 43 -2.863 4.575 2.440 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.223 1.973 3.631 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.939 3.708 1.470 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.034 2.582 2.396 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.421 1.796 0.710 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.732 0.766 -0.798 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.480 2.522 -0.653 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.572 1.396 0.237 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.765 -0.510 1.118 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.474 0.043 2.211 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.179 0.336 2.628 1.00 6.41 H new ATOM 699 N ILE A 44 -0.720 2.844 5.320 1.00 4.58 N ATOM 700 CA ILE A 44 0.000 3.303 6.467 1.00 5.55 C ATOM 701 C ILE A 44 1.318 2.456 6.536 1.00 5.46 C ATOM 702 O ILE A 44 1.309 1.197 6.476 1.00 6.04 O ATOM 703 CB ILE A 44 -0.826 3.211 7.771 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.236 3.858 7.601 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.022 3.733 8.950 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.305 3.566 8.649 1.00 13.90 C ATOM 0 H ILE A 44 -0.788 1.827 5.280 1.00 4.58 H new ATOM 0 HA ILE A 44 0.227 4.364 6.369 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.056 2.173 8.012 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.101 4.939 7.558 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.628 3.547 6.633 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.557 3.670 9.871 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.923 3.128 9.046 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.300 4.771 8.767 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.225 4.089 8.386 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.495 2.493 8.686 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.960 3.907 9.625 1.00 13.90 H new ATOM 718 N PHE A 45 2.493 3.084 6.774 1.00 6.75 N ATOM 719 CA PHE A 45 3.743 2.404 7.258 1.00 4.70 C ATOM 720 C PHE A 45 4.282 3.173 8.459 1.00 6.34 C ATOM 721 O PHE A 45 4.635 4.361 8.417 1.00 5.45 O ATOM 722 CB PHE A 45 4.797 2.354 6.099 1.00 5.51 C ATOM 723 CG PHE A 45 6.052 1.615 6.434 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.080 0.204 6.678 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.298 2.251 6.555 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.264 -0.513 6.932 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.491 1.563 6.803 1.00 6.64 C ATOM 728 CZ PHE A 45 8.413 0.143 6.985 1.00 6.84 C ATOM 0 H PHE A 45 2.613 4.088 6.638 1.00 6.75 H new ATOM 0 HA PHE A 45 3.528 1.379 7.561 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.338 1.888 5.227 1.00 5.51 H new ATOM 0 HB3 PHE A 45 5.056 3.374 5.816 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.145 -0.337 6.666 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.338 3.325 6.451 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.236 -1.582 7.081 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.436 2.083 6.855 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.322 -0.410 7.172 1.00 6.84 H new ATOM 738 N ALA A 46 4.246 2.477 9.596 1.00 6.53 N ATOM 739 CA ALA A 46 4.711 2.993 10.935 1.00 7.15 C ATOM 740 C ALA A 46 3.950 4.227 11.426 1.00 9.00 C ATOM 741 O ALA A 46 4.551 5.242 11.853 1.00 11.15 O ATOM 742 CB ALA A 46 6.275 3.075 10.964 1.00 8.99 C ATOM 0 H ALA A 46 3.892 1.521 9.640 1.00 6.53 H new ATOM 0 HA ALA A 46 4.440 2.269 11.704 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.602 3.449 11.934 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.695 2.083 10.797 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.619 3.751 10.181 1.00 8.99 H new ATOM 748 N GLY A 47 2.629 4.171 11.474 1.00 9.35 N ATOM 749 CA GLY A 47 1.755 5.202 11.955 1.00 11.68 C ATOM 750 C GLY A 47 1.610 6.489 11.041 1.00 11.14 C ATOM 751 O GLY A 47 0.933 7.464 11.389 1.00 13.93 O ATOM 0 H GLY A 47 2.117 3.348 11.156 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.764 4.771 12.097 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.108 5.518 12.936 1.00 11.68 H new ATOM 755 N LYS A 48 2.248 6.381 9.845 1.00 10.47 N ATOM 756 CA LYS A 48 2.319 7.388 8.866 1.00 8.82 C ATOM 757 C LYS A 48 1.691 6.870 7.613 1.00 7.68 C ATOM 758 O LYS A 48 2.115 5.886 7.016 1.00 6.47 O ATOM 759 CB LYS A 48 3.724 7.704 8.620 1.00 9.74 C ATOM 760 CG LYS A 48 4.460 8.478 9.732 1.00 14.14 C ATOM 761 CD LYS A 48 3.965 9.951 9.893 1.00 16.32 C ATOM 762 CE LYS A 48 3.955 10.701 8.590 1.00 20.04 C ATOM 763 NZ LYS A 48 3.688 12.066 9.094 1.00 23.92 N ATOM 0 H LYS A 48 2.736 5.529 9.568 1.00 10.47 H new ATOM 0 HA LYS A 48 1.798 8.287 9.196 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.258 6.770 8.444 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.787 8.286 7.700 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.329 7.953 10.678 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.528 8.483 9.515 1.00 14.14 H new ATOM 0 HD2 LYS A 48 2.960 9.949 10.315 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.608 10.471 10.603 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.904 10.629 8.058 1.00 20.04 H new ATOM 0 HE3 LYS A 48 3.181 10.347 7.909 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 3.598 12.721 8.291 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 2.804 12.067 9.642 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 4.474 12.371 9.703 1.00 23.92 H new ATOM 777 N GLN A 49 0.604 7.582 7.244 1.00 8.89 N ATOM 778 CA GLN A 49 0.000 7.486 5.921 1.00 7.18 C ATOM 779 C GLN A 49 0.956 7.710 4.710 1.00 8.23 C ATOM 780 O GLN A 49 1.846 8.544 4.810 1.00 9.70 O ATOM 781 CB GLN A 49 -1.181 8.465 5.886 1.00 11.67 C ATOM 782 CG GLN A 49 -2.291 8.124 6.959 1.00 15.82 C ATOM 783 CD GLN A 49 -3.504 9.127 6.933 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.617 8.730 6.602 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.295 10.440 7.249 1.00 20.67 N ATOM 0 H GLN A 49 0.129 8.237 7.865 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.315 6.451 5.789 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.814 9.477 6.059 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.627 8.453 4.892 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.659 7.113 6.783 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.842 8.132 7.952 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.365 10.757 7.523 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.069 11.103 7.211 1.00 20.67 H new ATOM 794 N LEU A 50 0.787 6.932 3.592 1.00 6.51 N ATOM 795 CA LEU A 50 1.759 7.012 2.551 1.00 7.41 C ATOM 796 C LEU A 50 1.074 7.689 1.370 1.00 8.27 C ATOM 797 O LEU A 50 -0.100 7.473 1.145 1.00 8.34 O ATOM 798 CB LEU A 50 2.247 5.646 2.132 1.00 7.13 C ATOM 799 CG LEU A 50 2.859 4.812 3.289 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.340 3.486 2.708 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.048 5.490 3.989 1.00 9.11 C ATOM 0 H LEU A 50 0.014 6.286 3.430 1.00 6.51 H new ATOM 0 HA LEU A 50 2.629 7.569 2.899 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.415 5.091 1.699 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.995 5.763 1.348 1.00 7.13 H new ATOM 0 HG LEU A 50 2.080 4.690 4.042 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.776 2.878 3.501 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.497 2.955 2.266 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.092 3.676 1.942 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.419 4.844 4.785 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.844 5.667 3.265 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.726 6.441 4.414 1.00 9.11 H new ATOM 813 N GLU A 51 1.866 8.550 0.622 1.00 9.43 N ATOM 814 CA GLU A 51 1.393 9.320 -0.525 1.00 11.90 C ATOM 815 C GLU A 51 1.630 8.600 -1.873 1.00 11.49 C ATOM 816 O GLU A 51 2.672 8.061 -2.145 1.00 9.88 O ATOM 817 CB GLU A 51 2.002 10.709 -0.669 1.00 16.56 C ATOM 818 CG GLU A 51 1.670 11.680 0.563 1.00 26.06 C ATOM 819 CD GLU A 51 0.171 11.943 0.721 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.408 12.506 -0.238 1.00 33.44 O ATOM 821 OE2 GLU A 51 -0.487 11.646 1.762 1.00 32.13 O ATOM 0 H GLU A 51 2.853 8.705 0.828 1.00 9.43 H new ATOM 0 HA GLU A 51 0.330 9.418 -0.306 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.084 10.615 -0.767 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.637 11.164 -1.590 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.056 11.239 1.482 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.188 12.629 0.422 1.00 26.06 H new ATOM 828 N ASP A 52 0.611 8.636 -2.736 1.00 12.71 N ATOM 829 CA ASP A 52 0.555 7.896 -3.961 1.00 16.56 C ATOM 830 C ASP A 52 1.732 8.118 -4.895 1.00 15.83 C ATOM 831 O ASP A 52 2.219 7.157 -5.504 1.00 17.21 O ATOM 832 CB ASP A 52 -0.728 8.202 -4.716 1.00 21.05 C ATOM 833 CG ASP A 52 -1.890 8.050 -3.777 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.143 8.963 -2.917 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.618 7.021 -3.889 1.00 25.82 O ATOM 0 H ASP A 52 -0.219 9.208 -2.578 1.00 12.71 H new ATOM 0 HA ASP A 52 0.591 6.852 -3.651 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.697 9.215 -5.117 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.837 7.526 -5.564 1.00 21.05 H new ATOM 840 N GLY A 53 2.200 9.382 -5.041 1.00 15.00 N ATOM 841 CA GLY A 53 3.235 9.717 -6.073 1.00 11.77 C ATOM 842 C GLY A 53 4.606 9.727 -5.441 1.00 11.10 C ATOM 843 O GLY A 53 5.348 10.674 -5.667 1.00 11.25 O ATOM 0 H GLY A 53 1.892 10.174 -4.477 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.203 8.988 -6.882 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.021 10.691 -6.513 1.00 11.77 H new ATOM 847 N ARG A 54 4.887 8.666 -4.684 1.00 8.53 N ATOM 848 CA ARG A 54 6.185 8.481 -4.044 1.00 9.05 C ATOM 849 C ARG A 54 6.578 7.031 -4.115 1.00 8.96 C ATOM 850 O ARG A 54 5.739 6.172 -4.106 1.00 11.60 O ATOM 851 CB ARG A 54 6.111 8.832 -2.534 1.00 7.97 C ATOM 852 CG ARG A 54 6.356 10.243 -2.078 1.00 9.62 C ATOM 853 CD ARG A 54 7.800 10.735 -2.066 1.00 12.20 C ATOM 854 NE ARG A 54 7.710 12.200 -1.627 1.00 18.23 N ATOM 855 CZ ARG A 54 8.726 13.046 -1.534 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.909 12.822 -2.007 1.00 25.50 N ATOM 857 NH2 ARG A 54 8.536 14.204 -0.907 1.00 23.38 N ATOM 0 H ARG A 54 4.223 7.915 -4.499 1.00 8.53 H new ATOM 0 HA ARG A 54 6.898 9.126 -4.558 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.120 8.545 -2.183 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.829 8.195 -2.017 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.778 10.909 -2.719 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.957 10.345 -1.069 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.411 10.152 -1.377 1.00 12.20 H new ATOM 0 HD3 ARG A 54 8.257 10.645 -3.051 1.00 12.20 H new ATOM 0 HE ARG A 54 6.785 12.556 -1.385 1.00 18.23 H new ATOM 0 HH11 ARG A 54 10.108 11.946 -2.490 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.643 13.522 -1.897 1.00 25.50 H new ATOM 0 HH21 ARG A 54 7.623 14.425 -0.510 1.00 23.38 H new ATOM 0 HH22 ARG A 54 9.304 14.871 -0.823 1.00 23.38 H new ATOM 871 N THR A 55 7.928 6.707 -4.078 1.00 9.05 N ATOM 872 CA THR A 55 8.459 5.305 -4.200 1.00 9.03 C ATOM 873 C THR A 55 8.794 4.575 -2.887 1.00 8.15 C ATOM 874 O THR A 55 9.134 5.082 -1.809 1.00 5.91 O ATOM 875 CB THR A 55 9.718 5.189 -5.057 1.00 11.15 C ATOM 876 OG1 THR A 55 10.821 5.854 -4.497 1.00 11.95 O ATOM 877 CG2 THR A 55 9.415 5.931 -6.384 1.00 11.71 C ATOM 0 H THR A 55 8.661 7.407 -3.964 1.00 9.05 H new ATOM 0 HA THR A 55 7.597 4.827 -4.667 1.00 9.03 H new ATOM 0 HB THR A 55 9.959 4.131 -5.164 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.599 5.747 -5.083 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.286 5.879 -7.037 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.563 5.462 -6.877 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.182 6.975 -6.172 1.00 11.71 H new ATOM 885 N LEU A 56 8.835 3.211 -2.884 1.00 6.91 N ATOM 886 CA LEU A 56 9.353 2.334 -1.797 1.00 8.29 C ATOM 887 C LEU A 56 10.832 2.659 -1.548 1.00 8.05 C ATOM 888 O LEU A 56 11.262 2.672 -0.395 1.00 10.17 O ATOM 889 CB LEU A 56 9.175 0.866 -2.194 1.00 6.60 C ATOM 890 CG LEU A 56 7.691 0.527 -2.417 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.553 -0.823 -3.126 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.739 0.609 -1.155 1.00 8.64 C ATOM 0 H LEU A 56 8.491 2.670 -3.678 1.00 6.91 H new ATOM 0 HA LEU A 56 8.797 2.510 -0.876 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.738 0.662 -3.104 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.585 0.223 -1.415 1.00 6.60 H new ATOM 0 HG LEU A 56 7.329 1.335 -3.052 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.497 -1.049 -3.277 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.056 -0.780 -4.092 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.007 -1.603 -2.515 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.722 0.347 -1.448 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.087 -0.086 -0.391 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.751 1.623 -0.755 1.00 8.64 H new ATOM 904 N SER A 57 11.592 3.009 -2.602 1.00 8.92 N ATOM 905 CA SER A 57 12.986 3.505 -2.322 1.00 9.00 C ATOM 906 C SER A 57 12.969 4.830 -1.593 1.00 9.44 C ATOM 907 O SER A 57 13.668 5.027 -0.610 1.00 10.91 O ATOM 908 CB SER A 57 13.821 3.693 -3.642 1.00 10.32 C ATOM 909 OG SER A 57 15.187 3.998 -3.256 1.00 13.59 O ATOM 0 H SER A 57 11.313 2.971 -3.582 1.00 8.92 H new ATOM 0 HA SER A 57 13.452 2.741 -1.699 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.787 2.788 -4.249 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.405 4.498 -4.247 1.00 10.32 H new ATOM 0 HG SER A 57 15.735 4.120 -4.060 1.00 13.59 H new ATOM 915 N ASP A 58 12.145 5.840 -1.968 1.00 9.11 N ATOM 916 CA ASP A 58 12.184 7.138 -1.366 1.00 7.91 C ATOM 917 C ASP A 58 11.740 7.189 0.107 1.00 9.12 C ATOM 918 O ASP A 58 12.325 7.886 0.986 1.00 8.61 O ATOM 919 CB ASP A 58 11.323 8.142 -2.258 1.00 8.41 C ATOM 920 CG ASP A 58 11.516 9.633 -1.993 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.228 9.964 -1.032 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.973 10.447 -2.789 1.00 10.05 O ATOM 0 H ASP A 58 11.443 5.747 -2.702 1.00 9.11 H new ATOM 0 HA ASP A 58 13.232 7.437 -1.338 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.554 7.950 -3.306 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.269 7.905 -2.116 1.00 8.41 H new ATOM 927 N TYR A 59 10.720 6.339 0.398 1.00 7.97 N ATOM 928 CA TYR A 59 10.247 6.169 1.768 1.00 8.45 C ATOM 929 C TYR A 59 11.231 5.302 2.580 1.00 10.98 C ATOM 930 O TYR A 59 11.046 5.237 3.788 1.00 12.95 O ATOM 931 CB TYR A 59 8.848 5.534 1.843 1.00 7.94 C ATOM 932 CG TYR A 59 7.729 6.616 1.630 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.651 7.795 2.457 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.810 6.458 0.594 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.631 8.733 2.264 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.718 7.370 0.464 1.00 6.52 C ATOM 937 CZ TYR A 59 5.622 8.496 1.283 1.00 6.76 C ATOM 938 OH TYR A 59 4.536 9.357 1.184 1.00 7.63 O ATOM 0 H TYR A 59 10.227 5.777 -0.295 1.00 7.97 H new ATOM 0 HA TYR A 59 10.186 7.171 2.192 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.756 4.756 1.085 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.714 5.053 2.812 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.386 7.955 3.232 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.923 5.647 -0.110 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.607 9.635 2.857 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.956 7.185 -0.279 1.00 6.52 H new ATOM 0 HH TYR A 59 4.806 10.257 1.461 1.00 7.63 H new ATOM 948 N ASN A 60 12.276 4.701 1.952 1.00 12.38 N ATOM 949 CA ASN A 60 13.135 3.721 2.581 1.00 13.94 C ATOM 950 C ASN A 60 12.566 2.403 3.091 1.00 14.16 C ATOM 951 O ASN A 60 12.867 1.972 4.210 1.00 14.26 O ATOM 952 CB ASN A 60 14.086 4.235 3.674 1.00 19.23 C ATOM 953 CG ASN A 60 14.725 5.537 3.334 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.247 6.564 3.778 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.751 5.514 2.382 1.00 24.09 N ATOM 0 H ASN A 60 12.530 4.901 0.984 1.00 12.38 H new ATOM 0 HA ASN A 60 13.664 3.499 1.654 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.532 4.342 4.607 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.863 3.491 3.849 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.136 6.389 2.026 1.00 24.09 H new ATOM 0 HD22 ASN A 60 16.114 4.622 2.045 1.00 24.09 H new ATOM 962 N ILE A 61 11.654 1.761 2.285 1.00 11.08 N ATOM 963 CA ILE A 61 10.811 0.592 2.592 1.00 11.78 C ATOM 964 C ILE A 61 11.413 -0.583 1.954 1.00 13.74 C ATOM 965 O ILE A 61 11.417 -0.717 0.752 1.00 14.60 O ATOM 966 CB ILE A 61 9.319 0.751 2.072 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.778 2.064 2.785 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.446 -0.471 2.433 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.276 2.341 2.475 1.00 11.42 C ATOM 0 H ILE A 61 11.491 2.088 1.333 1.00 11.08 H new ATOM 0 HA ILE A 61 10.763 0.489 3.676 1.00 11.78 H new ATOM 0 HB ILE A 61 9.283 0.821 0.985 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.911 1.968 3.863 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.374 2.918 2.465 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.434 -0.319 2.058 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.870 -1.367 1.980 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.417 -0.590 3.516 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.960 3.250 2.988 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.143 2.466 1.400 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.672 1.501 2.820 1.00 11.42 H new ATOM 981 N GLN A 62 12.038 -1.487 2.786 1.00 13.97 N ATOM 982 CA GLN A 62 12.952 -2.530 2.364 1.00 15.52 C ATOM 983 C GLN A 62 12.124 -3.806 2.312 1.00 13.94 C ATOM 984 O GLN A 62 11.069 -3.854 2.940 1.00 12.15 O ATOM 985 CB GLN A 62 14.065 -2.634 3.331 1.00 19.53 C ATOM 986 CG GLN A 62 14.893 -1.378 3.573 1.00 26.38 C ATOM 987 CD GLN A 62 15.558 -0.856 2.320 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.083 0.059 1.638 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.713 -1.501 1.967 1.00 32.71 N ATOM 0 H GLN A 62 11.892 -1.481 3.795 1.00 13.97 H new ATOM 0 HA GLN A 62 13.402 -2.328 1.392 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.653 -2.957 4.287 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.737 -3.422 2.990 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.251 -0.601 3.987 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.657 -1.592 4.320 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.077 -2.252 2.553 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.209 -1.230 1.118 1.00 32.71 H new ATOM 998 N LYS A 63 12.614 -4.877 1.664 1.00 11.73 N ATOM 999 CA LYS A 63 12.174 -6.253 1.840 1.00 11.97 C ATOM 1000 C LYS A 63 11.515 -6.714 3.172 1.00 10.41 C ATOM 1001 O LYS A 63 11.944 -6.321 4.273 1.00 9.59 O ATOM 1002 CB LYS A 63 13.261 -7.256 1.477 1.00 13.73 C ATOM 1003 CG LYS A 63 14.423 -7.313 2.501 1.00 16.98 C ATOM 1004 CD LYS A 63 15.573 -8.245 2.156 1.00 20.19 C ATOM 1005 CE LYS A 63 16.672 -8.334 3.211 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.844 -9.038 2.653 1.00 25.97 N ATOM 0 H LYS A 63 13.361 -4.793 0.974 1.00 11.73 H new ATOM 0 HA LYS A 63 11.339 -6.240 1.140 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.815 -8.247 1.391 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.664 -7.002 0.497 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.822 -6.306 2.623 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.015 -7.614 3.466 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.172 -9.244 1.986 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.018 -7.916 1.217 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.958 -7.334 3.537 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.303 -8.862 4.090 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.590 -9.096 3.375 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.567 -9.998 2.363 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.201 -8.517 1.827 1.00 25.97 H new ATOM 1020 N GLU A 64 10.353 -7.436 3.039 1.00 10.04 N ATOM 1021 CA GLU A 64 9.576 -8.021 4.160 1.00 10.94 C ATOM 1022 C GLU A 64 9.020 -7.001 5.171 1.00 9.74 C ATOM 1023 O GLU A 64 8.437 -7.295 6.224 1.00 9.42 O ATOM 1024 CB GLU A 64 10.321 -9.130 4.932 1.00 18.31 C ATOM 1025 CG GLU A 64 10.764 -10.259 3.965 1.00 24.16 C ATOM 1026 CD GLU A 64 11.111 -11.484 4.759 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.911 -11.327 5.677 1.00 31.72 O ATOM 1028 OE2 GLU A 64 10.500 -12.566 4.508 1.00 32.61 O ATOM 0 H GLU A 64 9.933 -7.624 2.129 1.00 10.04 H new ATOM 0 HA GLU A 64 8.730 -8.464 3.634 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.193 -8.710 5.434 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.674 -9.540 5.707 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.964 -10.484 3.259 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.624 -9.935 3.379 1.00 24.16 H new ATOM 1035 N SER A 65 9.044 -5.673 4.790 1.00 6.85 N ATOM 1036 CA SER A 65 8.196 -4.576 5.391 1.00 6.90 C ATOM 1037 C SER A 65 6.663 -4.820 5.367 1.00 4.72 C ATOM 1038 O SER A 65 6.215 -5.271 4.326 1.00 3.91 O ATOM 1039 CB SER A 65 8.317 -3.227 4.617 1.00 7.28 C ATOM 1040 OG SER A 65 9.629 -2.655 4.705 1.00 10.56 O ATOM 0 H SER A 65 9.659 -5.333 4.050 1.00 6.85 H new ATOM 0 HA SER A 65 8.586 -4.555 6.409 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.066 -3.390 3.569 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.589 -2.519 5.013 1.00 7.28 H new ATOM 0 HG SER A 65 10.091 -2.762 3.847 1.00 10.56 H new ATOM 1046 N THR A 66 5.999 -4.328 6.444 1.00 4.48 N ATOM 1047 CA THR A 66 4.572 -4.581 6.473 1.00 3.80 C ATOM 1048 C THR A 66 3.830 -3.285 6.253 1.00 4.60 C ATOM 1049 O THR A 66 3.839 -2.417 7.142 1.00 5.33 O ATOM 1050 CB THR A 66 4.054 -5.252 7.702 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.561 -6.551 7.826 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.523 -5.402 7.768 1.00 3.40 C ATOM 0 H THR A 66 6.397 -3.805 7.225 1.00 4.48 H new ATOM 0 HA THR A 66 4.394 -5.295 5.669 1.00 3.80 H new ATOM 0 HB THR A 66 4.383 -4.587 8.501 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.206 -6.964 8.640 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.246 -5.901 8.697 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.059 -4.416 7.733 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.179 -5.996 6.921 1.00 3.40 H new ATOM 1060 N LEU A 67 3.125 -3.184 5.102 1.00 4.17 N ATOM 1061 CA LEU A 67 2.203 -2.046 4.930 1.00 3.85 C ATOM 1062 C LEU A 67 0.841 -2.439 5.420 1.00 3.80 C ATOM 1063 O LEU A 67 0.357 -3.561 5.375 1.00 5.54 O ATOM 1064 CB LEU A 67 2.133 -1.634 3.461 1.00 7.18 C ATOM 1065 CG LEU A 67 3.269 -0.707 2.894 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.674 -1.030 3.314 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.219 -0.808 1.325 1.00 11.66 C ATOM 0 H LEU A 67 3.172 -3.838 4.321 1.00 4.17 H new ATOM 0 HA LEU A 67 2.569 -1.196 5.507 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.115 -2.544 2.861 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.181 -1.128 3.302 1.00 7.18 H new ATOM 0 HG LEU A 67 3.063 0.283 3.301 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.363 -0.320 2.857 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.753 -0.965 4.399 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.927 -2.040 2.991 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.996 -0.176 0.895 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.383 -1.842 1.022 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.243 -0.476 0.970 1.00 11.66 H new ATOM 1079 N HIS A 68 0.034 -1.434 5.831 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.339 -1.637 6.278 1.00 4.17 C ATOM 1081 C HIS A 68 -2.302 -1.028 5.278 1.00 5.32 C ATOM 1082 O HIS A 68 -2.127 0.111 4.911 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.599 -0.986 7.716 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.656 -1.441 8.805 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.573 -0.831 8.979 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.743 -2.329 9.828 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.130 -1.406 10.040 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.434 -2.362 10.592 1.00 16.30 N ATOM 0 H HIS A 68 0.331 -0.459 5.857 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.502 -2.712 6.354 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.528 0.098 7.625 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.620 -1.214 8.022 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.973 -0.087 8.407 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.613 -2.937 10.030 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.094 -1.102 10.420 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.351 -1.732 4.911 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.320 -1.346 3.901 1.00 3.97 C ATOM 1098 C LEU A 69 -5.560 -1.033 4.627 1.00 5.07 C ATOM 1099 O LEU A 69 -6.115 -1.938 5.287 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.440 -2.515 2.876 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.639 -2.366 1.862 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.390 -1.040 1.092 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.736 -3.606 0.926 1.00 9.96 C ATOM 0 H LEU A 69 -3.564 -2.637 5.330 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.043 -0.467 3.319 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.509 -2.586 2.313 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.555 -3.451 3.422 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.602 -2.324 2.371 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.192 -0.882 0.371 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.366 -0.209 1.797 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.437 -1.098 0.567 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.571 -3.477 0.237 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.810 -3.708 0.360 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.895 -4.503 1.525 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.065 0.210 4.471 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.323 0.648 5.075 1.00 6.26 C ATOM 1117 C VAL A 70 -8.303 1.161 4.033 1.00 9.22 C ATOM 1118 O VAL A 70 -7.860 1.810 3.103 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.956 1.772 6.042 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.208 2.319 6.661 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.178 1.165 7.271 1.00 8.54 C ATOM 0 H VAL A 70 -5.603 0.933 3.919 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.814 -0.186 5.577 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.383 2.517 5.491 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.951 3.122 7.352 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.860 2.708 5.879 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.723 1.525 7.202 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.914 1.963 7.964 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.811 0.438 7.779 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.270 0.674 6.920 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.609 0.919 4.142 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.685 1.205 3.145 1.00 16.06 C ATOM 1133 C LEU A 71 -11.388 2.555 3.323 1.00 18.09 C ATOM 1134 O LEU A 71 -11.629 3.064 4.382 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.912 0.257 3.128 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.438 -1.221 3.067 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.613 -2.113 3.157 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.641 -1.517 1.793 1.00 19.57 C ATOM 0 H LEU A 71 -9.989 0.487 4.984 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.070 1.114 2.249 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.518 0.417 4.020 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.544 0.481 2.268 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.770 -1.399 3.910 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.285 -3.152 3.115 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.134 -1.935 4.098 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.288 -1.911 2.325 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.330 -2.562 1.793 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.265 -1.324 0.920 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.760 -0.876 1.758 1.00 19.57 H new