USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 169:sc= 1.89 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 1.02 USER MOD Single : A 1 MET CE :methyl -147:sc= 0 (180deg=-0.537) USER MOD Single : A 1 MET N :NH3+ -166:sc= 2.44 (180deg=2.2) USER MOD Single : A 2 GLN : amide:sc= -0.136 K(o=-0.14,f=-3.3!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= 0.756 (180deg=-0.512!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -83:sc= 0.23 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00927 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 25 ASN : amide:sc= 1.16 K(o=1.2,f=-0.83) USER MOD Single : A 27 LYS NZ :NH3+ -117:sc= 1.27 (180deg=-0.321) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 1.17 (180deg=1.15) USER MOD Single : A 31 GLN : amide:sc= -0.595 K(o=-0.6,f=-3.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.497 K(o=-0.5,f=-2.2!) USER MOD Single : A 41 GLN : amide:sc= 0.419 K(o=0.42,f=-4.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0476 X(o=-0.048,f=-0.12) USER MOD Single : A 55 THR OG1 : rot -35:sc= 0.853 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.13 USER MOD Single : A 60 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.085) USER MOD Single : A 62 GLN : amide:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.0562 K(o=-0.056,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.241 -6.875 -4.497 1.00 9.67 N ATOM 2 CA MET A 1 11.303 -7.439 -3.155 1.00 10.38 C ATOM 3 C MET A 1 9.981 -7.790 -2.561 1.00 9.62 C ATOM 4 O MET A 1 8.923 -7.204 -2.884 1.00 9.62 O ATOM 5 CB MET A 1 12.066 -6.387 -2.217 1.00 13.77 C ATOM 6 CG MET A 1 11.175 -5.226 -1.710 1.00 16.29 C ATOM 7 SD MET A 1 12.017 -3.659 -1.116 1.00 17.17 S ATOM 8 CE MET A 1 10.419 -3.036 -0.536 1.00 16.11 C ATOM 0 H1 MET A 1 12.191 -6.882 -4.921 1.00 9.67 H new ATOM 0 H2 MET A 1 10.596 -7.443 -5.083 1.00 9.67 H new ATOM 0 H3 MET A 1 10.892 -5.897 -4.447 1.00 9.67 H new ATOM 0 HA MET A 1 11.835 -8.388 -3.228 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.478 -6.916 -1.358 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.908 -5.970 -2.769 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.493 -4.953 -2.515 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.565 -5.607 -0.891 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.390 -1.952 -0.644 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.619 -3.481 -1.128 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.285 -3.300 0.513 1.00 16.11 H new ATOM 20 N GLN A 2 10.009 -8.759 -1.599 1.00 9.27 N ATOM 21 CA GLN A 2 8.748 -9.189 -0.964 1.00 9.07 C ATOM 22 C GLN A 2 8.188 -8.157 0.065 1.00 8.72 C ATOM 23 O GLN A 2 9.003 -7.667 0.869 1.00 8.22 O ATOM 24 CB GLN A 2 9.140 -10.536 -0.340 1.00 14.46 C ATOM 25 CG GLN A 2 7.926 -11.257 0.250 1.00 17.01 C ATOM 26 CD GLN A 2 8.251 -12.584 0.957 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.831 -12.598 2.033 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.853 -13.720 0.263 1.00 19.49 N ATOM 0 H GLN A 2 10.850 -9.230 -1.266 1.00 9.27 H new ATOM 0 HA GLN A 2 7.918 -9.272 -1.666 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.606 -11.167 -1.097 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.883 -10.374 0.441 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.435 -10.592 0.961 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.212 -11.452 -0.550 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.372 -13.629 -0.632 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.042 -14.645 0.648 1.00 19.49 H new ATOM 37 N ILE A 3 6.892 -7.740 0.054 1.00 5.87 N ATOM 38 CA ILE A 3 6.305 -6.980 1.114 1.00 5.07 C ATOM 39 C ILE A 3 4.983 -7.637 1.451 1.00 4.01 C ATOM 40 O ILE A 3 4.422 -8.513 0.738 1.00 4.61 O ATOM 41 CB ILE A 3 6.061 -5.515 0.799 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.371 -5.391 -0.597 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.372 -4.707 0.899 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.652 -4.146 -0.901 1.00 10.83 C ATOM 0 H ILE A 3 6.248 -7.940 -0.711 1.00 5.87 H new ATOM 0 HA ILE A 3 7.015 -6.980 1.941 1.00 5.07 H new ATOM 0 HB ILE A 3 5.385 -5.085 1.538 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.135 -5.531 -1.361 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.666 -6.217 -0.696 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.173 -3.660 0.669 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.772 -4.787 1.910 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.098 -5.102 0.189 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.227 -4.207 -1.903 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.852 -4.002 -0.175 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.344 -3.305 -0.851 1.00 10.83 H new ATOM 56 N PHE A 4 4.417 -7.263 2.571 1.00 4.55 N ATOM 57 CA PHE A 4 3.171 -7.878 3.072 1.00 4.68 C ATOM 58 C PHE A 4 2.168 -6.700 3.271 1.00 5.30 C ATOM 59 O PHE A 4 2.511 -5.641 3.867 1.00 5.58 O ATOM 60 CB PHE A 4 3.298 -8.558 4.425 1.00 4.83 C ATOM 61 CG PHE A 4 4.149 -9.818 4.175 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.658 -11.013 3.753 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.506 -9.751 4.499 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.457 -12.157 3.633 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.338 -10.818 4.298 1.00 10.61 C ATOM 66 CZ PHE A 4 5.830 -12.025 3.852 1.00 8.90 C ATOM 0 H PHE A 4 4.789 -6.529 3.173 1.00 4.55 H new ATOM 0 HA PHE A 4 2.871 -8.642 2.355 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.775 -7.900 5.151 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.319 -8.819 4.826 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.610 -11.083 3.500 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.906 -8.839 4.916 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.024 -13.113 3.379 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.396 -10.718 4.488 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.491 -12.860 3.674 1.00 8.90 H new ATOM 76 N VAL A 5 0.949 -6.814 2.810 1.00 4.44 N ATOM 77 CA VAL A 5 -0.104 -5.881 2.939 1.00 3.87 C ATOM 78 C VAL A 5 -1.168 -6.612 3.888 1.00 4.93 C ATOM 79 O VAL A 5 -1.598 -7.689 3.665 1.00 6.84 O ATOM 80 CB VAL A 5 -0.760 -5.439 1.683 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.851 -4.420 1.937 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.336 -4.834 0.801 1.00 9.13 C ATOM 0 H VAL A 5 0.658 -7.642 2.291 1.00 4.44 H new ATOM 0 HA VAL A 5 0.306 -4.950 3.331 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.242 -6.289 1.200 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.302 -4.126 0.989 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.614 -4.857 2.582 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.424 -3.543 2.423 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.100 -4.493 -0.138 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.793 -3.989 1.317 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.096 -5.588 0.596 1.00 9.13 H new ATOM 92 N LYS A 6 -1.382 -5.891 5.009 1.00 6.04 N ATOM 93 CA LYS A 6 -2.133 -6.343 6.107 1.00 6.12 C ATOM 94 C LYS A 6 -3.490 -5.646 6.195 1.00 6.57 C ATOM 95 O LYS A 6 -3.535 -4.403 6.267 1.00 5.76 O ATOM 96 CB LYS A 6 -1.325 -6.319 7.453 1.00 7.45 C ATOM 97 CG LYS A 6 -1.777 -7.310 8.477 1.00 11.12 C ATOM 98 CD LYS A 6 -0.860 -7.355 9.702 1.00 14.54 C ATOM 99 CE LYS A 6 -1.471 -8.027 10.929 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.551 -8.308 12.051 1.00 20.55 N ATOM 0 H LYS A 6 -1.007 -4.952 5.139 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.347 -7.397 5.930 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.273 -6.501 7.232 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.392 -5.319 7.882 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.789 -7.061 8.795 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.820 -8.300 8.024 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.056 -7.881 9.434 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.577 -6.336 9.965 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.278 -7.394 11.299 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.923 -8.968 10.614 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.076 -8.763 12.825 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.208 -8.942 11.728 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.136 -7.417 12.391 1.00 20.55 H new ATOM 114 N THR A 7 -4.636 -6.390 6.179 1.00 7.41 N ATOM 115 CA THR A 7 -5.968 -5.837 6.117 1.00 7.48 C ATOM 116 C THR A 7 -6.552 -5.729 7.548 1.00 8.75 C ATOM 117 O THR A 7 -5.853 -6.086 8.513 1.00 8.58 O ATOM 118 CB THR A 7 -6.859 -6.640 5.304 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.135 -7.916 5.850 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.254 -6.894 3.927 1.00 9.17 C ATOM 0 H THR A 7 -4.628 -7.409 6.210 1.00 7.41 H new ATOM 0 HA THR A 7 -5.890 -4.852 5.657 1.00 7.48 H new ATOM 0 HB THR A 7 -7.780 -6.060 5.254 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.866 -8.335 5.349 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.940 -7.499 3.334 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.082 -5.942 3.424 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.307 -7.423 4.037 1.00 9.17 H new ATOM 128 N LEU A 8 -7.797 -5.189 7.664 1.00 9.84 N ATOM 129 CA LEU A 8 -8.675 -5.290 8.788 1.00 14.15 C ATOM 130 C LEU A 8 -9.612 -6.487 8.688 1.00 17.37 C ATOM 131 O LEU A 8 -10.560 -6.605 9.499 1.00 17.01 O ATOM 132 CB LEU A 8 -9.384 -3.921 8.864 1.00 16.63 C ATOM 133 CG LEU A 8 -8.431 -2.701 9.126 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.223 -1.415 9.249 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.560 -2.876 10.352 1.00 18.59 C ATOM 0 H LEU A 8 -8.209 -4.643 6.907 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.142 -5.489 9.718 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.919 -3.752 7.930 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.131 -3.958 9.657 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.769 -2.649 8.262 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.541 -0.584 9.430 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.774 -1.237 8.326 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.924 -1.497 10.080 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.926 -1.998 10.476 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.191 -2.995 11.233 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.935 -3.761 10.231 1.00 18.59 H new ATOM 147 N THR A 9 -9.339 -7.394 7.702 1.00 18.33 N ATOM 148 CA THR A 9 -10.214 -8.556 7.439 1.00 19.24 C ATOM 149 C THR A 9 -9.663 -9.892 7.923 1.00 19.48 C ATOM 150 O THR A 9 -10.167 -10.956 7.638 1.00 23.14 O ATOM 151 CB THR A 9 -10.602 -8.648 5.997 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.507 -8.792 5.110 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.295 -7.283 5.637 1.00 19.70 C ATOM 0 H THR A 9 -8.527 -7.335 7.088 1.00 18.33 H new ATOM 0 HA THR A 9 -11.103 -8.361 8.039 1.00 19.24 H new ATOM 0 HB THR A 9 -11.232 -9.530 5.881 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.837 -8.847 4.189 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.600 -7.295 4.591 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.172 -7.142 6.269 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.594 -6.465 5.801 1.00 19.70 H new ATOM 161 N GLY A 10 -8.496 -9.846 8.646 1.00 19.43 N ATOM 162 CA GLY A 10 -7.817 -11.138 8.969 1.00 18.74 C ATOM 163 C GLY A 10 -6.869 -11.670 7.950 1.00 17.62 C ATOM 164 O GLY A 10 -6.341 -12.803 8.082 1.00 19.74 O ATOM 0 H GLY A 10 -8.040 -9.001 8.990 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.274 -11.012 9.906 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.585 -11.891 9.145 1.00 18.74 H new ATOM 168 N LYS A 11 -6.620 -10.896 6.855 1.00 13.56 N ATOM 169 CA LYS A 11 -5.876 -11.316 5.719 1.00 11.91 C ATOM 170 C LYS A 11 -4.528 -10.677 5.704 1.00 10.18 C ATOM 171 O LYS A 11 -4.320 -9.550 6.193 1.00 9.10 O ATOM 172 CB LYS A 11 -6.766 -11.067 4.456 1.00 13.43 C ATOM 173 CG LYS A 11 -6.397 -12.002 3.248 1.00 16.69 C ATOM 174 CD LYS A 11 -7.372 -11.927 2.007 1.00 17.92 C ATOM 175 CE LYS A 11 -6.849 -12.772 0.833 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.781 -12.938 -0.333 1.00 21.93 N ATOM 0 H LYS A 11 -6.960 -9.938 6.775 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.648 -12.382 5.741 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.812 -11.221 4.720 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.665 -10.027 4.147 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.390 -11.753 2.913 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.369 -13.032 3.604 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.362 -12.278 2.298 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.482 -10.890 1.691 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.925 -12.321 0.471 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.594 -13.762 1.211 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.240 -13.231 -1.171 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.492 -13.663 -0.109 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.258 -12.035 -0.528 1.00 21.93 H new ATOM 190 N THR A 12 -3.547 -11.410 5.165 1.00 9.63 N ATOM 191 CA THR A 12 -2.138 -11.016 4.947 1.00 9.85 C ATOM 192 C THR A 12 -1.962 -11.420 3.490 1.00 11.66 C ATOM 193 O THR A 12 -2.178 -12.567 3.129 1.00 12.33 O ATOM 194 CB THR A 12 -1.169 -11.677 6.007 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.561 -11.329 7.374 1.00 10.91 O ATOM 196 CG2 THR A 12 0.230 -11.129 5.814 1.00 9.63 C ATOM 0 H THR A 12 -3.722 -12.362 4.845 1.00 9.63 H new ATOM 0 HA THR A 12 -1.890 -9.966 5.101 1.00 9.85 H new ATOM 0 HB THR A 12 -1.214 -12.756 5.863 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.946 -11.753 8.009 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.902 -11.582 6.543 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.576 -11.362 4.807 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.220 -10.048 5.953 1.00 9.63 H new ATOM 204 N ILE A 13 -1.572 -10.463 2.621 1.00 10.42 N ATOM 205 CA ILE A 13 -1.383 -10.694 1.247 1.00 11.84 C ATOM 206 C ILE A 13 0.010 -10.258 0.988 1.00 10.55 C ATOM 207 O ILE A 13 0.509 -9.348 1.654 1.00 11.92 O ATOM 208 CB ILE A 13 -2.421 -10.071 0.281 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.676 -8.637 0.644 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.646 -10.958 0.440 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.560 -7.986 -0.394 1.00 16.46 C ATOM 0 H ILE A 13 -1.386 -9.500 2.902 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.549 -11.749 1.028 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.094 -10.039 -0.758 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.151 -8.581 1.624 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.731 -8.099 0.717 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.444 -10.596 -0.209 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.392 -11.982 0.166 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.982 -10.932 1.477 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.738 -6.946 -0.120 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.069 -8.026 -1.367 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.511 -8.516 -0.446 1.00 16.46 H new ATOM 223 N THR A 14 0.613 -11.003 0.039 1.00 9.39 N ATOM 224 CA THR A 14 2.010 -10.854 -0.280 1.00 9.63 C ATOM 225 C THR A 14 2.256 -10.370 -1.635 1.00 11.20 C ATOM 226 O THR A 14 1.559 -10.653 -2.641 1.00 11.63 O ATOM 227 CB THR A 14 2.725 -12.208 -0.278 1.00 10.38 C ATOM 228 OG1 THR A 14 2.491 -12.939 0.881 1.00 16.30 O ATOM 229 CG2 THR A 14 4.210 -12.117 -0.509 1.00 11.66 C ATOM 0 H THR A 14 0.132 -11.714 -0.512 1.00 9.39 H new ATOM 0 HA THR A 14 2.367 -10.153 0.474 1.00 9.63 H new ATOM 0 HB THR A 14 2.286 -12.732 -1.127 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.099 -12.636 1.587 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.643 -13.117 -0.493 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.400 -11.655 -1.478 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.664 -11.513 0.276 1.00 11.66 H new ATOM 237 N LEU A 15 3.251 -9.409 -1.807 1.00 8.29 N ATOM 238 CA LEU A 15 3.360 -8.721 -3.128 1.00 9.03 C ATOM 239 C LEU A 15 4.767 -8.712 -3.535 1.00 8.59 C ATOM 240 O LEU A 15 5.651 -8.985 -2.676 1.00 7.79 O ATOM 241 CB LEU A 15 2.899 -7.253 -3.196 1.00 11.08 C ATOM 242 CG LEU A 15 1.399 -7.052 -3.019 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.157 -5.541 -2.813 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.455 -7.710 -4.082 1.00 15.27 C ATOM 0 H LEU A 15 3.928 -9.124 -1.100 1.00 8.29 H new ATOM 0 HA LEU A 15 2.688 -9.290 -3.770 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.422 -6.685 -2.426 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.197 -6.836 -4.158 1.00 11.08 H new ATOM 0 HG LEU A 15 1.099 -7.620 -2.138 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.090 -5.358 -2.682 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.694 -5.204 -1.927 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.515 -4.993 -3.685 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.583 -7.487 -3.834 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.686 -7.311 -5.070 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.604 -8.790 -4.082 1.00 15.27 H new ATOM 256 N GLU A 16 5.092 -8.490 -4.823 1.00 11.04 N ATOM 257 CA GLU A 16 6.407 -8.284 -5.309 1.00 11.50 C ATOM 258 C GLU A 16 6.458 -6.904 -5.885 1.00 10.13 C ATOM 259 O GLU A 16 5.785 -6.660 -6.905 1.00 9.83 O ATOM 260 CB GLU A 16 6.695 -9.447 -6.386 1.00 17.22 C ATOM 261 CG GLU A 16 8.082 -9.563 -7.010 1.00 23.33 C ATOM 262 CD GLU A 16 9.204 -9.489 -5.988 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.088 -10.219 -4.949 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.099 -8.610 -6.138 1.00 28.90 O ATOM 0 H GLU A 16 4.389 -8.454 -5.561 1.00 11.04 H new ATOM 0 HA GLU A 16 7.179 -8.343 -4.542 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.472 -10.400 -5.906 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.980 -9.324 -7.199 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.153 -10.507 -7.551 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.212 -8.766 -7.742 1.00 23.33 H new ATOM 271 N VAL A 17 7.316 -6.061 -5.199 1.00 8.99 N ATOM 272 CA VAL A 17 7.603 -4.729 -5.765 1.00 8.85 C ATOM 273 C VAL A 17 9.004 -4.292 -5.587 1.00 8.04 C ATOM 274 O VAL A 17 9.723 -4.792 -4.744 1.00 8.99 O ATOM 275 CB VAL A 17 6.822 -3.676 -4.957 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.308 -4.030 -4.924 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.276 -3.340 -3.526 1.00 10.54 C ATOM 0 H VAL A 17 7.780 -6.279 -4.317 1.00 8.99 H new ATOM 0 HA VAL A 17 7.350 -4.808 -6.822 1.00 8.85 H new ATOM 0 HB VAL A 17 7.046 -2.768 -5.516 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.770 -3.276 -4.349 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.918 -4.057 -5.942 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.173 -5.006 -4.458 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.617 -2.581 -3.104 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.235 -4.239 -2.911 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.298 -2.962 -3.548 1.00 10.54 H new ATOM 287 N GLU A 18 9.446 -3.311 -6.366 1.00 7.29 N ATOM 288 CA GLU A 18 10.712 -2.666 -6.226 1.00 7.08 C ATOM 289 C GLU A 18 10.654 -1.519 -5.204 1.00 6.45 C ATOM 290 O GLU A 18 9.668 -0.764 -5.234 1.00 5.28 O ATOM 291 CB GLU A 18 11.275 -2.234 -7.587 1.00 10.28 C ATOM 292 CG GLU A 18 11.607 -3.385 -8.514 1.00 12.65 C ATOM 293 CD GLU A 18 12.692 -4.380 -8.068 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.790 -3.918 -7.747 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.435 -5.608 -7.989 1.00 18.17 O ATOM 0 H GLU A 18 8.895 -2.940 -7.140 1.00 7.29 H new ATOM 0 HA GLU A 18 11.416 -3.393 -5.822 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.551 -1.584 -8.078 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.175 -1.642 -7.424 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.690 -3.947 -8.690 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.912 -2.965 -9.472 1.00 12.65 H new ATOM 302 N PRO A 19 11.696 -1.224 -4.357 1.00 7.24 N ATOM 303 CA PRO A 19 11.761 -0.016 -3.606 1.00 7.07 C ATOM 304 C PRO A 19 11.664 1.277 -4.365 1.00 6.65 C ATOM 305 O PRO A 19 11.313 2.281 -3.782 1.00 6.37 O ATOM 306 CB PRO A 19 12.980 -0.184 -2.737 1.00 7.61 C ATOM 307 CG PRO A 19 13.914 -1.157 -3.457 1.00 8.16 C ATOM 308 CD PRO A 19 13.011 -1.917 -4.427 1.00 7.49 C ATOM 0 HA PRO A 19 10.854 0.113 -3.015 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.473 0.775 -2.575 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.704 -0.570 -1.756 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.706 -0.627 -3.986 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.398 -1.834 -2.754 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.414 -1.896 -5.439 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.920 -2.965 -4.142 1.00 7.49 H new ATOM 316 N SER A 20 11.889 1.232 -5.681 1.00 6.80 N ATOM 317 CA SER A 20 11.876 2.359 -6.624 1.00 6.28 C ATOM 318 C SER A 20 10.619 2.403 -7.479 1.00 8.45 C ATOM 319 O SER A 20 10.581 3.288 -8.344 1.00 7.26 O ATOM 320 CB SER A 20 13.114 2.175 -7.572 1.00 8.57 C ATOM 321 OG SER A 20 13.248 0.811 -8.123 1.00 11.13 O ATOM 0 H SER A 20 12.099 0.350 -6.149 1.00 6.80 H new ATOM 0 HA SER A 20 11.908 3.288 -6.055 1.00 6.28 H new ATOM 0 HB2 SER A 20 13.036 2.883 -8.397 1.00 8.57 H new ATOM 0 HB3 SER A 20 14.021 2.425 -7.022 1.00 8.57 H new ATOM 0 HG SER A 20 14.036 0.769 -8.704 1.00 11.13 H new ATOM 327 N ASP A 21 9.589 1.602 -7.164 1.00 7.50 N ATOM 328 CA ASP A 21 8.267 1.874 -7.629 1.00 7.70 C ATOM 329 C ASP A 21 7.509 2.998 -6.896 1.00 7.08 C ATOM 330 O ASP A 21 8.031 3.524 -5.927 1.00 8.11 O ATOM 331 CB ASP A 21 7.392 0.617 -7.528 1.00 11.00 C ATOM 332 CG ASP A 21 6.602 0.360 -8.763 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.457 1.247 -9.650 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.118 -0.786 -8.873 1.00 14.36 O ATOM 0 H ASP A 21 9.671 0.765 -6.587 1.00 7.50 H new ATOM 0 HA ASP A 21 8.428 2.205 -8.655 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.026 -0.245 -7.323 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.712 0.721 -6.683 1.00 11.00 H new ATOM 339 N THR A 22 6.371 3.403 -7.484 1.00 5.37 N ATOM 340 CA THR A 22 5.566 4.416 -6.859 1.00 6.01 C ATOM 341 C THR A 22 4.504 3.750 -5.964 1.00 8.01 C ATOM 342 O THR A 22 4.121 2.574 -6.165 1.00 8.11 O ATOM 343 CB THR A 22 4.883 5.378 -7.828 1.00 8.92 C ATOM 344 OG1 THR A 22 3.868 4.761 -8.584 1.00 10.22 O ATOM 345 CG2 THR A 22 5.958 6.068 -8.652 1.00 9.65 C ATOM 0 H THR A 22 6.011 3.044 -8.368 1.00 5.37 H new ATOM 0 HA THR A 22 6.257 5.023 -6.274 1.00 6.01 H new ATOM 0 HB THR A 22 4.342 6.145 -7.274 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.462 5.419 -9.186 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.491 6.761 -9.352 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.628 6.617 -7.990 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.527 5.321 -9.206 1.00 9.65 H new ATOM 353 N ILE A 23 3.913 4.552 -5.009 1.00 8.32 N ATOM 354 CA ILE A 23 2.827 4.003 -4.137 1.00 9.92 C ATOM 355 C ILE A 23 1.569 3.758 -4.968 1.00 10.01 C ATOM 356 O ILE A 23 0.857 2.808 -4.829 1.00 8.71 O ATOM 357 CB ILE A 23 2.518 5.095 -3.044 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.768 5.438 -2.195 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.268 4.715 -2.216 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.161 4.435 -1.141 1.00 12.30 C ATOM 0 H ILE A 23 4.158 5.527 -4.835 1.00 8.32 H new ATOM 0 HA ILE A 23 3.135 3.061 -3.684 1.00 9.92 H new ATOM 0 HB ILE A 23 2.265 6.027 -3.550 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.613 5.572 -2.870 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.596 6.397 -1.706 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.078 5.486 -1.469 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.406 4.630 -2.877 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.438 3.761 -1.717 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.049 4.788 -0.616 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.343 4.314 -0.431 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.376 3.476 -1.613 1.00 12.30 H new ATOM 372 N GLU A 24 1.308 4.655 -5.977 1.00 9.54 N ATOM 373 CA GLU A 24 0.215 4.479 -6.903 1.00 11.81 C ATOM 374 C GLU A 24 0.167 3.087 -7.633 1.00 11.14 C ATOM 375 O GLU A 24 -0.856 2.419 -7.725 1.00 10.62 O ATOM 376 CB GLU A 24 0.137 5.667 -7.899 1.00 19.24 C ATOM 377 CG GLU A 24 -1.040 5.620 -8.907 1.00 27.76 C ATOM 378 CD GLU A 24 -0.854 6.732 -9.901 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.075 6.699 -10.755 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.637 7.690 -10.008 1.00 36.51 O ATOM 0 H GLU A 24 1.860 5.497 -6.141 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.684 4.476 -6.286 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.066 6.593 -7.328 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.071 5.709 -8.460 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.066 4.656 -9.416 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.991 5.731 -8.386 1.00 27.76 H new ATOM 387 N ASN A 25 1.330 2.654 -8.114 1.00 9.43 N ATOM 388 CA ASN A 25 1.473 1.357 -8.669 1.00 10.96 C ATOM 389 C ASN A 25 1.171 0.238 -7.705 1.00 9.68 C ATOM 390 O ASN A 25 0.647 -0.800 -8.050 1.00 9.33 O ATOM 391 CB ASN A 25 2.874 1.220 -9.257 1.00 16.78 C ATOM 392 CG ASN A 25 3.086 2.013 -10.604 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.185 2.657 -11.111 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.346 2.101 -11.048 1.00 24.70 N ATOM 0 H ASN A 25 2.185 3.210 -8.119 1.00 9.43 H new ATOM 0 HA ASN A 25 0.723 1.257 -9.453 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.600 1.570 -8.523 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.081 0.164 -9.433 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.570 2.718 -11.829 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.082 1.551 -10.606 1.00 24.70 H new ATOM 401 N VAL A 26 1.586 0.396 -6.455 1.00 6.52 N ATOM 402 CA VAL A 26 1.188 -0.516 -5.383 1.00 5.53 C ATOM 403 C VAL A 26 -0.223 -0.548 -5.040 1.00 4.42 C ATOM 404 O VAL A 26 -0.799 -1.598 -4.940 1.00 3.40 O ATOM 405 CB VAL A 26 2.148 -0.391 -4.175 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.701 -1.463 -3.120 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.602 -0.689 -4.640 1.00 8.12 C ATOM 0 H VAL A 26 2.202 1.151 -6.154 1.00 6.52 H new ATOM 0 HA VAL A 26 1.304 -1.517 -5.799 1.00 5.53 H new ATOM 0 HB VAL A 26 2.117 0.611 -3.748 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.353 -1.410 -2.248 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.673 -1.268 -2.816 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.766 -2.457 -3.562 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.280 -0.602 -3.791 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.655 -1.700 -5.044 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.891 0.026 -5.411 1.00 8.12 H new ATOM 417 N LYS A 27 -0.967 0.608 -4.985 1.00 2.64 N ATOM 418 CA LYS A 27 -2.421 0.672 -4.814 1.00 4.14 C ATOM 419 C LYS A 27 -3.121 -0.138 -5.918 1.00 5.58 C ATOM 420 O LYS A 27 -4.099 -0.860 -5.748 1.00 4.11 O ATOM 421 CB LYS A 27 -2.993 2.155 -4.803 1.00 3.97 C ATOM 422 CG LYS A 27 -2.407 2.936 -3.643 1.00 7.45 C ATOM 423 CD LYS A 27 -3.193 4.228 -3.337 1.00 9.02 C ATOM 424 CE LYS A 27 -2.395 5.123 -2.292 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.146 6.328 -2.089 1.00 15.47 N ATOM 0 H LYS A 27 -0.540 1.531 -5.063 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.631 0.243 -3.834 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.753 2.652 -5.743 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.080 2.132 -4.723 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.394 2.304 -2.755 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.371 3.190 -3.868 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.357 4.789 -4.257 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.176 3.978 -2.937 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.266 4.589 -1.350 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.398 5.352 -2.667 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.586 7.144 -2.410 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.032 6.281 -2.632 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.365 6.434 -1.078 1.00 15.47 H new ATOM 439 N ALA A 28 -2.600 0.028 -7.195 1.00 6.61 N ATOM 440 CA ALA A 28 -3.169 -0.701 -8.274 1.00 7.74 C ATOM 441 C ALA A 28 -2.888 -2.212 -8.280 1.00 9.17 C ATOM 442 O ALA A 28 -3.699 -3.024 -8.745 1.00 11.45 O ATOM 443 CB ALA A 28 -2.521 -0.100 -9.535 1.00 7.68 C ATOM 0 H ALA A 28 -1.824 0.643 -7.439 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.253 -0.615 -8.205 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.906 -0.608 -10.419 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.758 0.962 -9.595 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.440 -0.229 -9.485 1.00 7.68 H new ATOM 449 N LYS A 29 -1.712 -2.614 -7.714 1.00 8.96 N ATOM 450 CA LYS A 29 -1.266 -4.041 -7.455 1.00 7.90 C ATOM 451 C LYS A 29 -2.222 -4.725 -6.457 1.00 6.92 C ATOM 452 O LYS A 29 -2.688 -5.864 -6.647 1.00 6.87 O ATOM 453 CB LYS A 29 0.243 -4.032 -7.069 1.00 10.28 C ATOM 454 CG LYS A 29 0.868 -5.364 -6.857 1.00 14.94 C ATOM 455 CD LYS A 29 2.373 -5.198 -7.069 1.00 19.69 C ATOM 456 CE LYS A 29 2.899 -5.650 -8.432 1.00 22.63 C ATOM 457 NZ LYS A 29 4.299 -5.232 -8.539 1.00 24.98 N ATOM 0 H LYS A 29 -1.013 -1.936 -7.410 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.334 -4.661 -8.349 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.795 -3.514 -7.853 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.361 -3.448 -6.156 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.660 -5.731 -5.852 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.460 -6.096 -7.554 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.628 -4.147 -6.931 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.896 -5.758 -6.293 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.816 -6.732 -8.533 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.307 -5.209 -9.234 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.665 -5.483 -9.479 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.365 -4.203 -8.406 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.862 -5.713 -7.808 1.00 24.98 H new ATOM 471 N ILE A 30 -2.635 -4.029 -5.428 1.00 4.57 N ATOM 472 CA ILE A 30 -3.628 -4.608 -4.532 1.00 5.58 C ATOM 473 C ILE A 30 -4.992 -4.740 -5.268 1.00 7.26 C ATOM 474 O ILE A 30 -5.612 -5.756 -4.998 1.00 9.46 O ATOM 475 CB ILE A 30 -3.817 -3.881 -3.147 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.504 -3.873 -2.301 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.989 -4.447 -2.343 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.301 -2.555 -1.513 1.00 2.00 C ATOM 0 H ILE A 30 -2.317 -3.090 -5.187 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.229 -5.587 -4.268 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.061 -2.845 -3.383 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.524 -4.709 -1.602 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.651 -4.030 -2.962 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.075 -3.911 -1.398 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.911 -4.329 -2.912 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.817 -5.505 -2.145 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.372 -2.610 -0.945 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.251 -1.718 -2.210 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.137 -2.408 -0.829 1.00 2.00 H new ATOM 490 N GLN A 31 -5.427 -3.838 -6.153 1.00 7.06 N ATOM 491 CA GLN A 31 -6.572 -4.079 -7.032 1.00 8.67 C ATOM 492 C GLN A 31 -6.428 -5.240 -7.977 1.00 10.90 C ATOM 493 O GLN A 31 -7.375 -5.981 -8.159 1.00 9.63 O ATOM 494 CB GLN A 31 -6.973 -2.797 -7.969 1.00 9.12 C ATOM 495 CG GLN A 31 -8.435 -2.872 -8.357 1.00 10.76 C ATOM 496 CD GLN A 31 -8.920 -1.684 -9.180 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.694 -0.909 -8.680 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.541 -1.680 -10.454 1.00 14.76 N ATOM 0 H GLN A 31 -4.995 -2.922 -6.279 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.348 -4.294 -6.297 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.779 -1.869 -7.431 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.352 -2.783 -8.864 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.603 -3.787 -8.925 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.037 -2.944 -7.451 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -7.878 -2.378 -10.791 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.913 -0.979 -11.095 1.00 14.76 H new ATOM 507 N ASP A 32 -5.220 -5.397 -8.534 1.00 10.93 N ATOM 508 CA ASP A 32 -4.876 -6.480 -9.429 1.00 14.01 C ATOM 509 C ASP A 32 -5.001 -7.826 -8.728 1.00 14.04 C ATOM 510 O ASP A 32 -5.556 -8.784 -9.293 1.00 13.39 O ATOM 511 CB ASP A 32 -3.407 -6.292 -9.947 1.00 18.01 C ATOM 512 CG ASP A 32 -3.168 -7.101 -11.194 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.448 -6.587 -12.284 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.627 -8.229 -11.064 1.00 26.29 O ATOM 0 H ASP A 32 -4.447 -4.754 -8.363 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.569 -6.463 -10.271 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.222 -5.238 -10.152 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.703 -6.595 -9.172 1.00 18.01 H new ATOM 519 N LYS A 33 -4.533 -8.000 -7.474 1.00 14.22 N ATOM 520 CA LYS A 33 -4.662 -9.219 -6.717 1.00 14.00 C ATOM 521 C LYS A 33 -6.046 -9.397 -6.015 1.00 12.37 C ATOM 522 O LYS A 33 -6.719 -10.423 -6.164 1.00 12.17 O ATOM 523 CB LYS A 33 -3.581 -9.244 -5.654 1.00 18.62 C ATOM 524 CG LYS A 33 -3.274 -10.712 -5.219 1.00 24.00 C ATOM 525 CD LYS A 33 -2.630 -10.868 -3.825 1.00 27.61 C ATOM 526 CE LYS A 33 -1.801 -12.173 -3.746 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.601 -13.358 -3.760 1.00 30.06 N ATOM 0 H LYS A 33 -4.045 -7.263 -6.965 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.567 -10.037 -7.431 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.675 -8.775 -6.038 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.900 -8.662 -4.789 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.204 -11.280 -5.237 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.612 -11.161 -5.959 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.989 -10.011 -3.618 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.406 -10.878 -3.060 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.105 -12.204 -4.585 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.202 -12.159 -2.835 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.984 -14.194 -3.705 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -3.247 -13.350 -2.945 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -3.154 -13.393 -4.640 1.00 30.06 H new ATOM 541 N GLU A 34 -6.474 -8.317 -5.248 1.00 10.11 N ATOM 542 CA GLU A 34 -7.609 -8.544 -4.372 1.00 10.07 C ATOM 543 C GLU A 34 -8.876 -7.855 -4.826 1.00 9.32 C ATOM 544 O GLU A 34 -9.901 -8.056 -4.197 1.00 11.61 O ATOM 545 CB GLU A 34 -7.157 -7.992 -3.030 1.00 14.77 C ATOM 546 CG GLU A 34 -6.451 -9.032 -2.098 1.00 18.75 C ATOM 547 CD GLU A 34 -7.219 -10.291 -1.870 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.197 -10.294 -1.059 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.861 -11.301 -2.541 1.00 21.95 O ATOM 0 H GLU A 34 -6.069 -7.381 -5.240 1.00 10.11 H new ATOM 0 HA GLU A 34 -7.871 -9.602 -4.349 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.475 -7.161 -3.206 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.024 -7.587 -2.508 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.483 -9.287 -2.529 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.257 -8.562 -1.134 1.00 18.75 H new ATOM 556 N GLY A 35 -8.780 -7.060 -5.890 1.00 7.22 N ATOM 557 CA GLY A 35 -9.894 -6.361 -6.429 1.00 6.29 C ATOM 558 C GLY A 35 -10.240 -5.064 -5.601 1.00 6.93 C ATOM 559 O GLY A 35 -11.263 -4.394 -5.874 1.00 7.41 O ATOM 0 H GLY A 35 -7.907 -6.896 -6.392 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.683 -6.085 -7.462 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.761 -7.021 -6.447 1.00 6.29 H new ATOM 563 N ILE A 36 -9.471 -4.744 -4.535 1.00 5.86 N ATOM 564 CA ILE A 36 -9.706 -3.597 -3.698 1.00 6.07 C ATOM 565 C ILE A 36 -9.355 -2.346 -4.517 1.00 6.36 C ATOM 566 O ILE A 36 -8.211 -2.245 -4.962 1.00 6.18 O ATOM 567 CB ILE A 36 -8.964 -3.640 -2.370 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.352 -4.921 -1.659 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.337 -2.339 -1.548 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.464 -5.194 -0.408 1.00 9.49 C ATOM 0 H ILE A 36 -8.664 -5.298 -4.248 1.00 5.86 H new ATOM 0 HA ILE A 36 -10.757 -3.584 -3.409 1.00 6.07 H new ATOM 0 HB ILE A 36 -7.882 -3.645 -2.498 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.397 -4.863 -1.355 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.268 -5.758 -2.352 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -8.815 -2.351 -0.591 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.041 -1.455 -2.112 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.413 -2.315 -1.374 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.781 -6.122 0.067 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.421 -5.280 -0.714 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.568 -4.371 0.299 1.00 9.49 H new ATOM 582 N PRO A 37 -10.278 -1.383 -4.784 1.00 8.65 N ATOM 583 CA PRO A 37 -9.897 -0.212 -5.521 1.00 9.18 C ATOM 584 C PRO A 37 -8.840 0.782 -4.951 1.00 9.85 C ATOM 585 O PRO A 37 -8.851 0.943 -3.732 1.00 8.51 O ATOM 586 CB PRO A 37 -11.180 0.556 -5.679 1.00 11.42 C ATOM 587 CG PRO A 37 -12.210 -0.458 -5.687 1.00 9.27 C ATOM 588 CD PRO A 37 -11.735 -1.423 -4.597 1.00 8.33 C ATOM 0 HA PRO A 37 -9.392 -0.593 -6.408 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.324 1.261 -4.861 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.185 1.134 -6.603 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.191 -0.041 -5.460 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.289 -0.949 -6.657 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.030 -1.093 -3.601 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.139 -2.426 -4.733 1.00 8.33 H new ATOM 596 N PRO A 38 -7.986 1.422 -5.708 1.00 8.71 N ATOM 597 CA PRO A 38 -6.941 2.315 -5.166 1.00 9.08 C ATOM 598 C PRO A 38 -7.572 3.629 -4.498 1.00 9.28 C ATOM 599 O PRO A 38 -6.901 4.377 -3.787 1.00 6.50 O ATOM 600 CB PRO A 38 -6.173 2.691 -6.411 1.00 10.31 C ATOM 601 CG PRO A 38 -7.199 2.655 -7.535 1.00 10.81 C ATOM 602 CD PRO A 38 -8.115 1.457 -7.158 1.00 12.00 C ATOM 0 HA PRO A 38 -6.343 1.847 -4.384 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.727 3.681 -6.315 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.358 1.991 -6.598 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.762 3.587 -7.594 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.725 2.507 -8.505 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -9.146 1.617 -7.472 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.782 0.528 -7.620 1.00 12.00 H new ATOM 610 N ASP A 39 -8.930 3.753 -4.683 1.00 11.20 N ATOM 611 CA ASP A 39 -9.769 4.838 -4.158 1.00 14.96 C ATOM 612 C ASP A 39 -10.458 4.386 -2.848 1.00 13.99 C ATOM 613 O ASP A 39 -11.143 5.148 -2.206 1.00 13.75 O ATOM 614 CB ASP A 39 -10.806 5.391 -5.149 1.00 24.16 C ATOM 615 CG ASP A 39 -10.065 6.251 -6.157 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.454 7.263 -5.724 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.112 5.957 -7.409 1.00 34.22 O ATOM 0 H ASP A 39 -9.465 3.070 -5.220 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.090 5.669 -3.965 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.328 4.576 -5.651 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.560 5.978 -4.626 1.00 24.16 H new ATOM 622 N GLN A 40 -10.288 3.139 -2.406 1.00 11.60 N ATOM 623 CA GLN A 40 -10.872 2.547 -1.237 1.00 10.76 C ATOM 624 C GLN A 40 -9.808 2.199 -0.229 1.00 8.01 C ATOM 625 O GLN A 40 -10.112 1.609 0.766 1.00 8.96 O ATOM 626 CB GLN A 40 -11.804 1.344 -1.540 1.00 11.14 C ATOM 627 CG GLN A 40 -13.009 1.796 -2.297 1.00 14.85 C ATOM 628 CD GLN A 40 -14.033 0.631 -2.440 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.740 -0.502 -2.128 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.234 0.923 -3.070 1.00 18.16 N ATOM 0 H GLN A 40 -9.690 2.480 -2.905 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.525 3.304 -0.802 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.264 0.594 -2.118 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.110 0.869 -0.608 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.475 2.636 -1.782 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.713 2.151 -3.284 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.457 1.886 -3.322 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.894 0.175 -3.281 1.00 18.16 H new ATOM 639 N GLN A 41 -8.586 2.573 -0.499 1.00 6.52 N ATOM 640 CA GLN A 41 -7.424 2.178 0.326 1.00 3.87 C ATOM 641 C GLN A 41 -6.865 3.456 0.841 1.00 4.79 C ATOM 642 O GLN A 41 -6.655 4.378 0.069 1.00 6.34 O ATOM 643 CB GLN A 41 -6.285 1.533 -0.516 1.00 4.20 C ATOM 644 CG GLN A 41 -6.742 0.294 -1.306 1.00 3.20 C ATOM 645 CD GLN A 41 -5.688 0.002 -2.368 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.535 0.432 -2.322 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.023 -0.831 -3.435 1.00 7.13 N ATOM 0 H GLN A 41 -8.344 3.163 -1.295 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.747 1.463 1.082 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.892 2.274 -1.211 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.467 1.252 0.147 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.860 -0.561 -0.640 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.712 0.473 -1.770 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.968 -1.209 -3.510 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.323 -1.063 -4.140 1.00 7.13 H new ATOM 656 N ARG A 42 -6.545 3.452 2.135 1.00 5.73 N ATOM 657 CA ARG A 42 -5.564 4.342 2.643 1.00 6.97 C ATOM 658 C ARG A 42 -4.458 3.451 3.096 1.00 7.15 C ATOM 659 O ARG A 42 -4.738 2.531 3.842 1.00 7.33 O ATOM 660 CB ARG A 42 -6.121 5.157 3.894 1.00 13.23 C ATOM 661 CG ARG A 42 -7.150 6.231 3.586 1.00 21.27 C ATOM 662 CD ARG A 42 -7.497 7.101 4.807 1.00 26.14 C ATOM 663 NE ARG A 42 -8.326 8.250 4.219 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.627 8.253 4.128 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.367 7.180 4.451 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.253 9.344 3.791 1.00 36.39 N ATOM 0 H ARG A 42 -6.964 2.834 2.830 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.258 5.073 1.895 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.563 4.449 4.596 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.278 5.625 4.402 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.772 6.870 2.788 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.059 5.759 3.213 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.064 6.539 5.550 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.599 7.470 5.303 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.825 9.069 3.875 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.913 6.328 4.780 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.383 7.217 4.368 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.726 10.196 3.598 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -11.270 9.347 3.720 1.00 36.39 H new ATOM 680 N LEU A 43 -3.199 3.630 2.747 1.00 4.65 N ATOM 681 CA LEU A 43 -2.143 2.761 3.197 1.00 3.51 C ATOM 682 C LEU A 43 -1.176 3.423 4.206 1.00 5.56 C ATOM 683 O LEU A 43 -0.706 4.533 3.985 1.00 4.19 O ATOM 684 CB LEU A 43 -1.286 2.244 2.019 1.00 3.74 C ATOM 685 CG LEU A 43 -2.068 1.389 1.018 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.273 1.046 -0.268 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.465 0.040 1.621 1.00 6.41 C ATOM 0 H LEU A 43 -2.884 4.387 2.140 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.666 1.943 3.692 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.853 3.096 1.495 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.457 1.658 2.414 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.933 2.005 0.771 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.893 0.439 -0.928 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.993 1.967 -0.779 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.373 0.491 -0.002 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.018 -0.540 0.882 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.568 -0.506 1.913 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.092 0.204 2.498 1.00 6.41 H new ATOM 699 N ILE A 44 -0.866 2.709 5.307 1.00 4.58 N ATOM 700 CA ILE A 44 -0.155 3.293 6.449 1.00 5.55 C ATOM 701 C ILE A 44 1.017 2.378 6.719 1.00 5.46 C ATOM 702 O ILE A 44 0.999 1.129 6.829 1.00 6.04 O ATOM 703 CB ILE A 44 -1.047 3.464 7.733 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.512 3.977 7.497 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.269 4.424 8.650 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.804 5.249 6.686 1.00 13.90 C ATOM 0 H ILE A 44 -1.101 1.723 5.424 1.00 4.58 H new ATOM 0 HA ILE A 44 0.158 4.308 6.204 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.211 2.478 8.167 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.057 3.165 7.016 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.958 4.121 8.481 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.834 4.589 9.567 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.700 3.989 8.894 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.121 5.375 8.139 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.880 5.418 6.649 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.319 6.102 7.160 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.420 5.131 5.673 1.00 13.90 H new ATOM 718 N PHE A 45 2.225 2.969 6.825 1.00 6.75 N ATOM 719 CA PHE A 45 3.463 2.347 7.339 1.00 4.70 C ATOM 720 C PHE A 45 4.237 3.396 8.120 1.00 6.34 C ATOM 721 O PHE A 45 4.452 4.545 7.685 1.00 5.45 O ATOM 722 CB PHE A 45 4.279 1.860 6.150 1.00 5.51 C ATOM 723 CG PHE A 45 5.613 1.244 6.598 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.679 0.086 7.361 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.796 1.935 6.287 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.958 -0.438 7.770 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.052 1.475 6.724 1.00 6.64 C ATOM 728 CZ PHE A 45 8.116 0.280 7.456 1.00 6.84 C ATOM 0 H PHE A 45 2.371 3.938 6.541 1.00 6.75 H new ATOM 0 HA PHE A 45 3.242 1.504 7.994 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.705 1.121 5.592 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.470 2.693 5.473 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.771 -0.423 7.648 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.740 2.839 5.699 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.021 -1.371 8.311 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.950 2.032 6.500 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.076 -0.092 7.783 1.00 6.84 H new ATOM 738 N ALA A 46 4.731 3.055 9.337 1.00 6.53 N ATOM 739 CA ALA A 46 5.650 3.804 10.225 1.00 7.15 C ATOM 740 C ALA A 46 5.078 5.094 10.782 1.00 9.00 C ATOM 741 O ALA A 46 5.781 6.041 10.929 1.00 11.15 O ATOM 742 CB ALA A 46 7.034 4.050 9.489 1.00 8.99 C ATOM 0 H ALA A 46 4.470 2.164 9.759 1.00 6.53 H new ATOM 0 HA ALA A 46 5.808 3.175 11.101 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.704 4.601 10.149 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.485 3.091 9.232 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.865 4.626 8.579 1.00 8.99 H new ATOM 748 N GLY A 47 3.790 5.138 10.944 1.00 9.35 N ATOM 749 CA GLY A 47 3.003 6.201 11.518 1.00 11.68 C ATOM 750 C GLY A 47 2.659 7.163 10.401 1.00 11.14 C ATOM 751 O GLY A 47 1.937 8.147 10.553 1.00 13.93 O ATOM 0 H GLY A 47 3.202 4.358 10.651 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.097 5.804 11.975 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.560 6.710 12.305 1.00 11.68 H new ATOM 755 N LYS A 48 3.028 6.812 9.119 1.00 10.47 N ATOM 756 CA LYS A 48 2.885 7.718 7.964 1.00 8.82 C ATOM 757 C LYS A 48 1.892 7.115 7.010 1.00 7.68 C ATOM 758 O LYS A 48 1.856 5.911 6.756 1.00 6.47 O ATOM 759 CB LYS A 48 4.235 7.814 7.249 1.00 9.74 C ATOM 760 CG LYS A 48 5.448 8.277 8.107 1.00 14.14 C ATOM 761 CD LYS A 48 6.791 8.007 7.403 1.00 16.32 C ATOM 762 CE LYS A 48 8.009 8.513 8.269 1.00 20.04 C ATOM 763 NZ LYS A 48 9.315 8.061 7.771 1.00 23.92 N ATOM 0 H LYS A 48 3.425 5.903 8.881 1.00 10.47 H new ATOM 0 HA LYS A 48 2.556 8.703 8.294 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.468 6.835 6.830 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.128 8.503 6.411 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.357 9.343 8.318 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.432 7.760 9.066 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.896 6.939 7.215 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.801 8.504 6.433 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.997 9.603 8.295 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.882 8.168 9.295 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 10.068 8.430 8.387 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 9.346 7.021 7.771 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 9.457 8.411 6.802 1.00 23.92 H new ATOM 777 N GLN A 49 1.002 8.010 6.548 1.00 8.89 N ATOM 778 CA GLN A 49 0.061 7.777 5.423 1.00 7.18 C ATOM 779 C GLN A 49 0.722 8.108 4.099 1.00 8.23 C ATOM 780 O GLN A 49 1.136 9.239 3.783 1.00 9.70 O ATOM 781 CB GLN A 49 -1.217 8.612 5.535 1.00 11.67 C ATOM 782 CG GLN A 49 -2.210 8.156 4.450 1.00 15.82 C ATOM 783 CD GLN A 49 -3.548 8.899 4.535 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.349 8.775 5.448 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.753 9.672 3.472 1.00 20.67 N ATOM 0 H GLN A 49 0.910 8.942 6.953 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.208 6.722 5.472 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.659 8.493 6.524 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.987 9.671 5.414 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.769 8.318 3.466 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.385 7.085 4.548 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.044 9.733 2.742 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.620 10.203 3.387 1.00 20.67 H new ATOM 794 N LEU A 50 0.872 7.052 3.278 1.00 6.51 N ATOM 795 CA LEU A 50 1.578 7.053 2.008 1.00 7.41 C ATOM 796 C LEU A 50 0.884 7.753 0.856 1.00 8.27 C ATOM 797 O LEU A 50 -0.320 7.748 0.789 1.00 8.34 O ATOM 798 CB LEU A 50 2.029 5.624 1.677 1.00 7.13 C ATOM 799 CG LEU A 50 2.450 4.715 2.908 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.738 3.300 2.370 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.644 5.206 3.697 1.00 9.11 C ATOM 0 H LEU A 50 0.481 6.137 3.504 1.00 6.51 H new ATOM 0 HA LEU A 50 2.454 7.687 2.145 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.219 5.125 1.145 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.874 5.682 0.991 1.00 7.13 H new ATOM 0 HG LEU A 50 1.619 4.740 3.613 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.031 2.650 3.194 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.841 2.902 1.895 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.546 3.346 1.640 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.849 4.515 4.515 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.514 5.262 3.043 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.430 6.195 4.102 1.00 9.11 H new ATOM 813 N GLU A 51 1.682 8.482 0.018 1.00 9.43 N ATOM 814 CA GLU A 51 1.160 9.402 -0.961 1.00 11.90 C ATOM 815 C GLU A 51 1.653 9.017 -2.348 1.00 11.49 C ATOM 816 O GLU A 51 2.829 8.813 -2.652 1.00 9.88 O ATOM 817 CB GLU A 51 1.645 10.832 -0.608 1.00 16.56 C ATOM 818 CG GLU A 51 1.141 11.941 -1.580 1.00 26.06 C ATOM 819 CD GLU A 51 1.719 13.233 -1.230 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.193 13.940 -0.329 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.792 13.601 -1.845 1.00 33.44 O ATOM 0 H GLU A 51 2.700 8.426 0.027 1.00 9.43 H new ATOM 0 HA GLU A 51 0.071 9.368 -0.956 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.316 11.075 0.403 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.735 10.841 -0.600 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.408 11.683 -2.605 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.053 12.000 -1.540 1.00 26.06 H new ATOM 828 N ASP A 52 0.691 9.011 -3.286 1.00 12.71 N ATOM 829 CA ASP A 52 0.629 8.349 -4.555 1.00 16.56 C ATOM 830 C ASP A 52 1.874 8.434 -5.474 1.00 15.83 C ATOM 831 O ASP A 52 2.477 7.431 -5.786 1.00 17.21 O ATOM 832 CB ASP A 52 -0.649 8.850 -5.330 1.00 21.05 C ATOM 833 CG ASP A 52 -1.903 8.338 -4.594 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.898 8.349 -3.329 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.833 7.812 -5.261 1.00 28.37 O ATOM 0 H ASP A 52 -0.162 9.547 -3.129 1.00 12.71 H new ATOM 0 HA ASP A 52 0.583 7.290 -4.303 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.658 9.939 -5.380 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.637 8.483 -6.356 1.00 21.05 H new ATOM 840 N GLY A 53 2.332 9.618 -5.912 1.00 15.00 N ATOM 841 CA GLY A 53 3.509 9.811 -6.749 1.00 11.77 C ATOM 842 C GLY A 53 4.851 9.624 -6.116 1.00 11.10 C ATOM 843 O GLY A 53 5.905 9.620 -6.743 1.00 11.25 O ATOM 0 H GLY A 53 1.869 10.496 -5.679 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.437 9.124 -7.592 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.468 10.821 -7.157 1.00 11.77 H new ATOM 847 N ARG A 54 4.927 9.285 -4.816 1.00 8.53 N ATOM 848 CA ARG A 54 6.215 9.181 -4.123 1.00 9.05 C ATOM 849 C ARG A 54 6.651 7.747 -4.230 1.00 8.96 C ATOM 850 O ARG A 54 5.871 6.915 -4.702 1.00 11.60 O ATOM 851 CB ARG A 54 6.242 9.673 -2.719 1.00 7.97 C ATOM 852 CG ARG A 54 5.424 10.964 -2.396 1.00 9.62 C ATOM 853 CD ARG A 54 5.976 11.663 -1.094 1.00 12.20 C ATOM 854 NE ARG A 54 5.120 12.923 -0.856 1.00 18.23 N ATOM 855 CZ ARG A 54 5.554 14.086 -0.449 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.790 14.341 -0.039 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.675 15.069 -0.360 1.00 23.38 N ATOM 0 H ARG A 54 4.116 9.081 -4.232 1.00 8.53 H new ATOM 0 HA ARG A 54 6.914 9.859 -4.613 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.878 8.873 -2.074 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.281 9.855 -2.445 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.479 11.655 -3.237 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.373 10.710 -2.260 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.914 10.989 -0.240 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.026 11.928 -1.215 1.00 12.20 H new ATOM 0 HE ARG A 54 4.119 12.841 -1.033 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.487 13.596 -0.026 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.043 15.282 0.263 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.699 14.904 -0.605 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.973 15.993 -0.046 1.00 23.38 H new ATOM 871 N THR A 55 7.920 7.325 -3.861 1.00 9.05 N ATOM 872 CA THR A 55 8.394 5.954 -3.959 1.00 9.03 C ATOM 873 C THR A 55 8.519 5.313 -2.610 1.00 8.15 C ATOM 874 O THR A 55 8.566 5.978 -1.549 1.00 5.91 O ATOM 875 CB THR A 55 9.667 5.857 -4.759 1.00 11.15 C ATOM 876 OG1 THR A 55 10.802 6.452 -4.178 1.00 11.95 O ATOM 877 CG2 THR A 55 9.494 6.601 -6.107 1.00 11.71 C ATOM 0 H THR A 55 8.622 7.964 -3.487 1.00 9.05 H new ATOM 0 HA THR A 55 7.639 5.389 -4.506 1.00 9.03 H new ATOM 0 HB THR A 55 9.833 4.783 -4.841 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.534 7.257 -3.687 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.416 6.529 -6.683 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.678 6.148 -6.670 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.266 7.650 -5.917 1.00 11.71 H new ATOM 885 N LEU A 56 8.600 3.956 -2.637 1.00 6.91 N ATOM 886 CA LEU A 56 8.612 3.222 -1.340 1.00 8.29 C ATOM 887 C LEU A 56 9.975 3.360 -0.683 1.00 8.05 C ATOM 888 O LEU A 56 10.091 3.023 0.502 1.00 10.17 O ATOM 889 CB LEU A 56 8.262 1.765 -1.723 1.00 6.60 C ATOM 890 CG LEU A 56 6.794 1.382 -2.003 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.423 1.601 -3.532 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.463 -0.042 -1.640 1.00 8.64 C ATOM 0 H LEU A 56 8.654 3.380 -3.477 1.00 6.91 H new ATOM 0 HA LEU A 56 7.903 3.606 -0.607 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.840 1.514 -2.612 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.619 1.122 -0.919 1.00 6.60 H new ATOM 0 HG LEU A 56 6.206 2.042 -1.365 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.382 1.322 -3.697 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.564 2.650 -3.794 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.068 0.982 -4.155 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.415 -0.240 -1.864 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.092 -0.720 -2.217 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.642 -0.197 -0.576 1.00 8.64 H new ATOM 904 N SER A 57 11.000 3.808 -1.407 1.00 8.92 N ATOM 905 CA SER A 57 12.287 4.287 -0.941 1.00 9.00 C ATOM 906 C SER A 57 12.191 5.515 0.010 1.00 9.44 C ATOM 907 O SER A 57 12.835 5.524 1.072 1.00 10.91 O ATOM 908 CB SER A 57 13.244 4.620 -2.041 1.00 10.32 C ATOM 909 OG SER A 57 14.597 4.761 -1.528 1.00 13.59 O ATOM 0 H SER A 57 10.938 3.845 -2.424 1.00 8.92 H new ATOM 0 HA SER A 57 12.674 3.434 -0.383 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.218 3.838 -2.800 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.937 5.546 -2.527 1.00 10.32 H new ATOM 0 HG SER A 57 15.205 4.977 -2.265 1.00 13.59 H new ATOM 915 N ASP A 58 11.287 6.468 -0.347 1.00 9.11 N ATOM 916 CA ASP A 58 11.093 7.701 0.380 1.00 7.91 C ATOM 917 C ASP A 58 10.634 7.485 1.829 1.00 9.12 C ATOM 918 O ASP A 58 10.726 8.350 2.661 1.00 8.61 O ATOM 919 CB ASP A 58 10.085 8.570 -0.375 1.00 8.41 C ATOM 920 CG ASP A 58 10.508 9.003 -1.757 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.580 9.674 -1.788 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.880 8.779 -2.777 1.00 11.70 O ATOM 0 H ASP A 58 10.678 6.377 -1.160 1.00 9.11 H new ATOM 0 HA ASP A 58 12.059 8.201 0.442 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.147 8.021 -0.456 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.882 9.461 0.220 1.00 8.41 H new ATOM 927 N TYR A 59 10.042 6.275 2.080 1.00 7.97 N ATOM 928 CA TYR A 59 9.303 5.901 3.236 1.00 8.45 C ATOM 929 C TYR A 59 10.076 4.865 3.978 1.00 10.98 C ATOM 930 O TYR A 59 9.547 4.362 4.940 1.00 12.95 O ATOM 931 CB TYR A 59 7.907 5.362 2.828 1.00 7.94 C ATOM 932 CG TYR A 59 7.003 6.503 2.337 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.644 7.552 3.207 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.425 6.481 1.025 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.767 8.543 2.816 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.502 7.486 0.664 1.00 6.52 C ATOM 937 CZ TYR A 59 5.198 8.521 1.543 1.00 6.76 C ATOM 938 OH TYR A 59 4.263 9.500 1.148 1.00 7.63 O ATOM 0 H TYR A 59 10.098 5.512 1.405 1.00 7.97 H new ATOM 0 HA TYR A 59 9.149 6.768 3.879 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.016 4.615 2.042 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.442 4.864 3.679 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.064 7.581 4.201 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.692 5.706 0.322 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.520 9.341 3.500 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.026 7.451 -0.305 1.00 6.52 H new ATOM 0 HH TYR A 59 4.451 10.340 1.616 1.00 7.63 H new ATOM 948 N ASN A 60 11.338 4.516 3.597 1.00 12.38 N ATOM 949 CA ASN A 60 12.112 3.475 4.183 1.00 13.94 C ATOM 950 C ASN A 60 11.348 2.109 4.312 1.00 14.16 C ATOM 951 O ASN A 60 11.280 1.385 5.331 1.00 14.26 O ATOM 952 CB ASN A 60 12.786 3.948 5.473 1.00 19.23 C ATOM 953 CG ASN A 60 13.752 2.894 5.921 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.780 2.580 5.289 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.447 2.361 7.135 1.00 24.09 N ATOM 0 H ASN A 60 11.828 4.994 2.841 1.00 12.38 H new ATOM 0 HA ASN A 60 12.915 3.243 3.484 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.306 4.891 5.304 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.039 4.130 6.246 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.070 1.676 7.562 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.595 2.646 7.618 1.00 24.09 H new ATOM 962 N ILE A 61 10.726 1.654 3.201 1.00 11.08 N ATOM 963 CA ILE A 61 10.026 0.390 3.184 1.00 11.78 C ATOM 964 C ILE A 61 10.980 -0.518 2.468 1.00 13.74 C ATOM 965 O ILE A 61 11.309 -0.321 1.277 1.00 14.60 O ATOM 966 CB ILE A 61 8.779 0.417 2.317 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.738 1.427 2.949 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.139 -0.962 2.150 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.597 1.870 2.052 1.00 11.42 C ATOM 0 H ILE A 61 10.706 2.158 2.314 1.00 11.08 H new ATOM 0 HA ILE A 61 9.733 0.110 4.196 1.00 11.78 H new ATOM 0 HB ILE A 61 9.075 0.743 1.320 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.312 0.966 3.840 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.279 2.315 3.277 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.253 -0.878 1.521 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.853 -1.640 1.683 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.855 -1.352 3.127 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.952 2.560 2.597 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.000 2.369 1.171 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.018 1.000 1.743 1.00 11.42 H new ATOM 981 N GLN A 62 11.420 -1.570 3.221 1.00 13.97 N ATOM 982 CA GLN A 62 12.465 -2.536 2.850 1.00 15.52 C ATOM 983 C GLN A 62 11.888 -3.869 2.948 1.00 13.94 C ATOM 984 O GLN A 62 10.772 -3.978 3.407 1.00 12.15 O ATOM 985 CB GLN A 62 13.741 -2.381 3.748 1.00 19.53 C ATOM 986 CG GLN A 62 14.425 -0.975 3.528 1.00 26.38 C ATOM 987 CD GLN A 62 15.661 -0.721 4.354 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.714 -0.237 3.848 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.572 -1.104 5.669 1.00 32.71 N ATOM 0 H GLN A 62 11.029 -1.764 4.143 1.00 13.97 H new ATOM 0 HA GLN A 62 12.800 -2.353 1.829 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.467 -2.495 4.797 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.451 -3.175 3.516 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.686 -0.878 2.474 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.695 -0.196 3.748 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.699 -1.489 6.030 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.379 -1.003 6.285 1.00 32.71 H new ATOM 998 N LYS A 63 12.543 -4.980 2.477 1.00 11.73 N ATOM 999 CA LYS A 63 11.874 -6.237 2.316 1.00 11.97 C ATOM 1000 C LYS A 63 11.258 -6.799 3.602 1.00 10.41 C ATOM 1001 O LYS A 63 11.797 -6.860 4.701 1.00 9.59 O ATOM 1002 CB LYS A 63 12.816 -7.168 1.572 1.00 13.73 C ATOM 1003 CG LYS A 63 14.053 -7.513 2.426 1.00 16.98 C ATOM 1004 CD LYS A 63 14.927 -8.562 1.787 1.00 20.19 C ATOM 1005 CE LYS A 63 14.430 -9.970 2.038 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.308 -11.010 1.500 1.00 25.97 N ATOM 0 H LYS A 63 13.528 -4.991 2.214 1.00 11.73 H new ATOM 0 HA LYS A 63 10.977 -6.103 1.711 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.289 -8.084 1.304 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.134 -6.699 0.641 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.639 -6.609 2.591 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.727 -7.865 3.405 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.974 -8.384 0.713 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.943 -8.466 2.171 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.319 -10.120 3.112 1.00 23.42 H new ATOM 0 HE3 LYS A 63 13.439 -10.080 1.597 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 14.906 -11.946 1.709 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.395 -10.892 0.470 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.248 -10.932 1.938 1.00 25.97 H new ATOM 1020 N GLU A 64 10.046 -7.381 3.516 1.00 10.04 N ATOM 1021 CA GLU A 64 9.246 -8.130 4.485 1.00 10.94 C ATOM 1022 C GLU A 64 8.597 -7.238 5.487 1.00 9.74 C ATOM 1023 O GLU A 64 7.885 -7.665 6.408 1.00 9.42 O ATOM 1024 CB GLU A 64 9.965 -9.370 5.163 1.00 18.31 C ATOM 1025 CG GLU A 64 10.356 -10.427 4.100 1.00 24.16 C ATOM 1026 CD GLU A 64 11.043 -11.479 4.847 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.320 -12.231 5.613 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.332 -11.596 4.700 1.00 32.61 O ATOM 0 H GLU A 64 9.540 -7.323 2.632 1.00 10.04 H new ATOM 0 HA GLU A 64 8.463 -8.585 3.879 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.856 -9.034 5.694 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.304 -9.820 5.904 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.476 -10.817 3.589 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.004 -9.998 3.336 1.00 24.16 H new ATOM 1035 N SER A 65 8.668 -5.959 5.236 1.00 6.85 N ATOM 1036 CA SER A 65 7.806 -4.944 5.852 1.00 6.90 C ATOM 1037 C SER A 65 6.393 -5.059 5.547 1.00 4.72 C ATOM 1038 O SER A 65 6.020 -5.492 4.481 1.00 3.91 O ATOM 1039 CB SER A 65 8.270 -3.488 5.568 1.00 7.28 C ATOM 1040 OG SER A 65 9.437 -3.206 6.408 1.00 10.56 O ATOM 0 H SER A 65 9.342 -5.566 4.580 1.00 6.85 H new ATOM 0 HA SER A 65 7.921 -5.160 6.914 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.523 -3.368 4.514 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.467 -2.784 5.785 1.00 7.28 H new ATOM 0 HG SER A 65 9.746 -2.291 6.242 1.00 10.56 H new ATOM 1046 N THR A 66 5.604 -4.690 6.533 1.00 4.48 N ATOM 1047 CA THR A 66 4.168 -4.898 6.483 1.00 3.80 C ATOM 1048 C THR A 66 3.469 -3.515 6.414 1.00 4.60 C ATOM 1049 O THR A 66 3.672 -2.599 7.190 1.00 5.33 O ATOM 1050 CB THR A 66 3.594 -5.529 7.705 1.00 2.85 C ATOM 1051 OG1 THR A 66 3.973 -6.934 7.929 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.068 -5.527 7.749 1.00 3.40 C ATOM 0 H THR A 66 5.934 -4.240 7.387 1.00 4.48 H new ATOM 0 HA THR A 66 4.005 -5.547 5.623 1.00 3.80 H new ATOM 0 HB THR A 66 4.025 -4.890 8.476 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.551 -7.259 8.752 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.730 -6.004 8.669 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.704 -4.500 7.718 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.679 -6.076 6.892 1.00 3.40 H new ATOM 1060 N LEU A 67 2.654 -3.363 5.358 1.00 4.17 N ATOM 1061 CA LEU A 67 1.984 -2.128 5.060 1.00 3.85 C ATOM 1062 C LEU A 67 0.500 -2.308 5.397 1.00 3.80 C ATOM 1063 O LEU A 67 -0.166 -3.321 5.037 1.00 5.54 O ATOM 1064 CB LEU A 67 2.148 -1.943 3.484 1.00 7.18 C ATOM 1065 CG LEU A 67 3.603 -1.937 2.969 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.726 -1.347 1.546 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.584 -1.157 3.805 1.00 11.66 C ATOM 0 H LEU A 67 2.453 -4.111 4.694 1.00 4.17 H new ATOM 0 HA LEU A 67 2.379 -1.276 5.614 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.606 -2.744 2.982 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.673 -1.006 3.193 1.00 7.18 H new ATOM 0 HG LEU A 67 3.854 -2.997 3.007 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.770 -1.367 1.233 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.128 -1.940 0.854 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.367 -0.318 1.547 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.575 -1.218 3.355 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.271 -0.114 3.854 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.616 -1.574 4.812 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.083 -1.420 6.166 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.468 -1.527 6.676 1.00 4.17 C ATOM 1081 C HIS A 68 -2.560 -0.852 5.821 1.00 5.32 C ATOM 1082 O HIS A 68 -2.573 0.351 5.583 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.662 -0.754 8.031 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.571 -0.968 8.976 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.505 -0.205 9.183 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.225 -2.203 9.476 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.444 -0.907 9.883 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.032 -2.160 10.096 1.00 16.30 N ATOM 0 H HIS A 68 0.390 -0.571 6.475 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.581 -2.610 6.716 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.751 0.312 7.824 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.599 -1.069 8.490 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.610 0.759 8.866 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.840 -3.088 9.401 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.389 -0.505 10.218 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.557 -1.702 5.398 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.598 -1.330 4.477 1.00 3.97 C ATOM 1098 C LEU A 69 -5.777 -0.870 5.386 1.00 5.07 C ATOM 1099 O LEU A 69 -6.478 -1.700 5.932 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.987 -2.457 3.552 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.593 -2.025 2.190 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.735 -3.248 1.239 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -7.016 -1.507 2.481 1.00 9.96 C ATOM 0 H LEU A 69 -3.626 -2.669 5.714 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.275 -0.541 3.798 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.104 -3.067 3.360 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.708 -3.093 4.066 1.00 6.08 H new ATOM 0 HG LEU A 69 -4.953 -1.277 1.723 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.162 -2.923 0.290 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.754 -3.689 1.064 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -6.390 -3.990 1.696 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.485 -1.190 1.550 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -7.608 -2.303 2.933 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.962 -0.661 3.166 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.055 0.431 5.415 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.143 1.119 6.098 1.00 6.26 C ATOM 1117 C VAL A 70 -8.212 1.507 5.046 1.00 9.22 C ATOM 1118 O VAL A 70 -7.849 1.997 3.955 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.626 2.348 6.861 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.819 3.093 7.403 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.695 1.931 7.981 1.00 8.54 C ATOM 0 H VAL A 70 -5.465 1.093 4.911 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.591 0.459 6.841 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.056 2.993 6.192 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.481 3.973 7.951 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.460 3.404 6.578 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.381 2.442 8.073 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.341 2.817 8.508 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.230 1.284 8.677 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.844 1.392 7.565 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.530 1.336 5.354 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.597 1.414 4.402 1.00 16.06 C ATOM 1133 C LEU A 71 -11.039 2.825 4.020 1.00 18.09 C ATOM 1134 O LEU A 71 -11.155 3.679 4.890 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.774 0.493 4.799 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.866 0.191 3.774 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.396 -0.585 2.579 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -13.879 -0.671 4.495 1.00 19.57 C ATOM 0 H LEU A 71 -9.851 1.137 6.301 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.174 1.035 3.472 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.351 -0.460 5.118 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.256 0.935 5.671 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.249 1.140 3.399 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.234 -0.755 1.903 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.621 -0.021 2.061 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.991 -1.543 2.904 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.692 -0.924 3.814 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.398 -1.586 4.841 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.279 -0.125 5.350 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.347 3.200 2.727 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.703 4.550 2.365 1.00 25.83 C ATOM 1152 C ARG A 72 -13.108 4.592 1.822 1.00 27.74 C ATOM 1153 O ARG A 72 -13.308 4.148 0.664 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.710 5.221 1.425 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.210 6.639 1.041 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.053 7.475 0.429 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.564 8.871 0.303 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.759 9.912 0.127 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.406 9.787 0.051 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.327 11.089 0.111 1.00 35.02 N ATOM 0 H ARG A 72 -11.344 2.551 1.940 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.661 5.139 3.281 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.733 5.289 1.904 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.583 4.617 0.527 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.029 6.561 0.326 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.604 7.144 1.923 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.170 7.441 1.067 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.760 7.079 -0.543 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.570 9.032 0.354 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -7.974 8.867 0.130 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -7.824 10.614 -0.085 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.337 11.170 0.230 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.760 11.927 -0.021 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.041 5.085 2.620 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.418 5.193 2.294 1.00 30.76 C ATOM 1176 C LEU A 73 -15.684 6.502 1.596 1.00 32.18 C ATOM 1177 O LEU A 73 -14.869 7.435 1.545 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.412 5.027 3.448 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.326 3.612 4.020 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.160 3.652 5.270 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.870 2.569 3.007 1.00 29.11 C ATOM 0 H LEU A 73 -13.828 5.433 3.555 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.599 4.337 1.644 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.198 5.756 4.229 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.425 5.224 3.096 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.299 3.312 4.228 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.152 2.671 5.745 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.749 4.391 5.958 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.185 3.923 5.015 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.798 1.571 3.438 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.913 2.792 2.780 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.282 2.612 2.090 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.857 6.702 0.997 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.237 7.855 0.295 1.00 35.33 C ATOM 1195 C ARG A 74 -17.314 9.121 1.115 1.00 36.22 C ATOM 1196 O ARG A 74 -16.657 10.170 0.853 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.496 7.572 -0.579 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.198 6.676 -1.766 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.347 7.389 -2.846 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.247 6.513 -4.057 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.750 6.953 -5.191 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.154 8.127 -5.316 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.895 6.298 -6.342 1.00 41.93 N ATOM 0 H ARG A 74 -17.593 5.996 1.010 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.414 8.087 -0.381 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.264 7.106 0.038 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.904 8.517 -0.937 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.672 5.785 -1.422 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.136 6.341 -2.209 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -17.801 8.344 -3.111 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.352 7.606 -2.457 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.574 5.548 -4.000 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.062 8.741 -4.507 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.786 8.418 -6.222 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.409 5.417 -6.366 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.492 6.677 -7.199 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.004 9.051 2.266 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.963 10.040 3.354 1.00 36.07 C ATOM 1219 C GLY A 75 -16.882 9.872 4.392 1.00 36.16 C ATOM 1220 O GLY A 75 -16.917 10.623 5.373 1.00 36.26 O ATOM 0 H GLY A 75 -18.630 8.272 2.471 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.854 11.029 2.909 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.927 10.024 3.863 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.897 8.873 4.255 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.889 8.622 5.256 1.00 36.19 C ATOM 1226 C GLY A 76 -13.585 8.258 4.613 1.00 36.20 C ATOM 1227 O GLY A 76 -13.130 7.079 4.678 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.972 9.189 4.037 1.00 0.00 O ATOM 0 H GLY A 76 -15.830 8.261 3.441 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.759 9.507 5.879 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.214 7.815 5.913 1.00 36.19 H new TER 1232 GLY A 76