USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 573 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 40 GLN : amide:sc= 0.668 K(o=1.5,f=-1.6!) USER MOD Set 1.2: A 41 ASN : amide:sc= 0.861 K(o=1.5,f=-0.5) USER MOD Set 2.1: A 22 THR OG1 : rot 172:sc= 1.85 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.651 K(o=2.5,f=1.2) USER MOD Set 3.1: A 7 THR OG1 : rot -82:sc= 1.51 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0483 USER MOD Single : A 2 GLN : amide:sc= 1.12 K(o=1.1,f=-0.061) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 155:sc= 1.04 (180deg=0.629) 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 USER MOD Single : A 27 LYS NZ :NH3+ -127:sc= -0.26 (180deg=-1.22!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.176 X(o=0.18,f=-0.053) USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= 1.2 (180deg=1.17) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.02 K(o=1,f=-5.4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -39:sc= 0.0493 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 83:sc= 1.17 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -4.724 -13.950 5.358 1.00 0.00 N ATOM 21 CA GLN A 2 -3.356 -13.423 5.395 1.00 0.00 C ATOM 22 C GLN A 2 -2.937 -12.977 3.983 1.00 0.00 C ATOM 23 O GLN A 2 -3.307 -13.636 3.006 1.00 0.00 O ATOM 24 CB GLN A 2 -2.423 -14.485 5.998 1.00 0.00 C ATOM 25 CG GLN A 2 -0.982 -13.978 6.157 1.00 0.00 C ATOM 26 CD GLN A 2 -0.174 -14.848 7.115 1.00 0.00 C ATOM 27 OE1 GLN A 2 0.536 -15.757 6.723 1.00 0.00 O ATOM 28 NE2 GLN A 2 -0.382 -14.732 8.406 1.00 0.00 N ATOM 0 HA GLN A 2 -3.294 -12.541 6.033 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.807 -14.791 6.971 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.426 -15.370 5.362 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.494 -13.961 5.183 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.997 -12.952 6.524 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -0.972 -13.980 8.762 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.047 -15.394 9.053 1.00 0.00 H new ATOM 37 N ILE A 3 -2.191 -11.874 3.875 1.00 0.00 N ATOM 38 CA ILE A 3 -1.636 -11.337 2.617 1.00 0.00 C ATOM 39 C ILE A 3 -0.197 -10.848 2.826 1.00 0.00 C ATOM 40 O ILE A 3 0.240 -10.617 3.957 1.00 0.00 O ATOM 41 CB ILE A 3 -2.529 -10.219 2.020 1.00 0.00 C ATOM 42 CG1 ILE A 3 -2.554 -8.943 2.896 1.00 0.00 C ATOM 43 CG2 ILE A 3 -3.953 -10.723 1.726 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.258 -7.743 2.245 1.00 0.00 C ATOM 0 H ILE A 3 -1.945 -11.306 4.686 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.619 -12.150 1.891 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.072 -9.939 1.071 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.051 -9.173 3.839 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.529 -8.661 3.136 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.548 -9.910 1.309 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.908 -11.544 1.010 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.413 -11.072 2.650 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.230 -6.892 2.925 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.749 -7.482 1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.295 -8.002 2.030 1.00 0.00 H new ATOM 56 N PHE A 4 0.530 -10.666 1.720 1.00 0.00 N ATOM 57 CA PHE A 4 1.958 -10.361 1.704 1.00 0.00 C ATOM 58 C PHE A 4 2.329 -9.135 0.860 1.00 0.00 C ATOM 59 O PHE A 4 1.739 -8.905 -0.195 1.00 0.00 O ATOM 60 CB PHE A 4 2.743 -11.594 1.241 1.00 0.00 C ATOM 61 CG PHE A 4 2.581 -12.799 2.144 1.00 0.00 C ATOM 62 CD1 PHE A 4 3.215 -12.848 3.400 1.00 0.00 C ATOM 63 CD2 PHE A 4 1.751 -13.863 1.740 1.00 0.00 C ATOM 64 CE1 PHE A 4 3.016 -13.954 4.246 1.00 0.00 C ATOM 65 CE2 PHE A 4 1.541 -14.963 2.591 1.00 0.00 C ATOM 66 CZ PHE A 4 2.172 -15.006 3.847 1.00 0.00 C ATOM 0 H PHE A 4 0.127 -10.729 0.785 1.00 0.00 H new ATOM 0 HA PHE A 4 2.230 -10.101 2.727 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.421 -11.861 0.234 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.801 -11.337 1.180 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.854 -12.036 3.714 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.273 -13.834 0.772 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.512 -13.995 5.204 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.897 -15.772 2.281 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.009 -15.847 4.505 1.00 0.00 H new ATOM 76 N VAL A 5 3.346 -8.370 1.272 1.00 0.00 N ATOM 77 CA VAL A 5 3.940 -7.270 0.479 1.00 0.00 C ATOM 78 C VAL A 5 5.430 -7.464 0.185 1.00 0.00 C ATOM 79 O VAL A 5 6.201 -7.809 1.080 1.00 0.00 O ATOM 80 CB VAL A 5 3.630 -5.861 1.032 1.00 0.00 C ATOM 81 CG1 VAL A 5 3.835 -4.779 -0.041 1.00 0.00 C ATOM 82 CG2 VAL A 5 2.198 -5.723 1.575 1.00 0.00 C ATOM 0 H VAL A 5 3.792 -8.494 2.181 1.00 0.00 H new ATOM 0 HA VAL A 5 3.431 -7.328 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 5 4.330 -5.722 1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.608 -3.800 0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.870 -4.796 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.172 -4.973 -0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.046 -4.710 1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.485 -5.926 0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.046 -6.435 2.387 1.00 0.00 H new ATOM 92 N LYS A 6 5.831 -7.250 -1.071 1.00 0.00 N ATOM 93 CA LYS A 6 7.171 -7.472 -1.609 1.00 0.00 C ATOM 94 C LYS A 6 7.881 -6.132 -1.689 1.00 0.00 C ATOM 95 O LYS A 6 7.637 -5.340 -2.593 1.00 0.00 O ATOM 96 CB LYS A 6 7.019 -8.190 -2.964 1.00 0.00 C ATOM 97 CG LYS A 6 8.183 -8.100 -3.950 1.00 0.00 C ATOM 98 CD LYS A 6 9.429 -8.861 -3.492 1.00 0.00 C ATOM 99 CE LYS A 6 10.486 -8.709 -4.595 1.00 0.00 C ATOM 100 NZ LYS A 6 11.636 -9.634 -4.420 1.00 0.00 N ATOM 0 H LYS A 6 5.189 -6.896 -1.780 1.00 0.00 H new ATOM 0 HA LYS A 6 7.787 -8.111 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.829 -9.245 -2.765 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.131 -7.793 -3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.862 -8.491 -4.916 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.442 -7.052 -4.100 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.798 -8.461 -2.548 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.197 -9.913 -3.324 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.022 -8.892 -5.564 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.850 -7.682 -4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.319 -9.489 -5.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.099 -9.444 -3.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.297 -10.617 -4.438 1.00 0.00 H new ATOM 114 N THR A 7 8.745 -5.862 -0.722 1.00 0.00 N ATOM 115 CA THR A 7 9.625 -4.689 -0.749 1.00 0.00 C ATOM 116 C THR A 7 10.835 -4.905 -1.663 1.00 0.00 C ATOM 117 O THR A 7 11.215 -6.037 -1.979 1.00 0.00 O ATOM 118 CB THR A 7 10.106 -4.325 0.666 1.00 0.00 C ATOM 119 OG1 THR A 7 10.939 -5.348 1.153 1.00 0.00 O ATOM 120 CG2 THR A 7 8.979 -4.118 1.676 1.00 0.00 C ATOM 0 H THR A 7 8.861 -6.446 0.106 1.00 0.00 H new ATOM 0 HA THR A 7 9.036 -3.864 -1.149 1.00 0.00 H new ATOM 0 HB THR A 7 10.631 -3.375 0.566 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.389 -6.072 1.519 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.403 -3.865 2.648 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.333 -3.307 1.339 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.395 -5.034 1.763 1.00 0.00 H new ATOM 128 N LEU A 8 11.455 -3.796 -2.073 1.00 0.00 N ATOM 129 CA LEU A 8 12.634 -3.778 -2.941 1.00 0.00 C ATOM 130 C LEU A 8 13.870 -4.383 -2.249 1.00 0.00 C ATOM 131 O LEU A 8 14.633 -5.114 -2.870 1.00 0.00 O ATOM 132 CB LEU A 8 12.908 -2.335 -3.421 1.00 0.00 C ATOM 133 CG LEU A 8 11.705 -1.613 -4.072 1.00 0.00 C ATOM 134 CD1 LEU A 8 10.940 -0.733 -3.071 1.00 0.00 C ATOM 135 CD2 LEU A 8 12.172 -0.687 -5.196 1.00 0.00 C ATOM 0 H LEU A 8 11.143 -2.863 -1.804 1.00 0.00 H new ATOM 0 HA LEU A 8 12.427 -4.405 -3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.247 -1.745 -2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.728 -2.358 -4.139 1.00 0.00 H new ATOM 0 HG LEU A 8 11.055 -2.403 -4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.105 -0.248 -3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.561 -1.352 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.610 0.026 -2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.310 -0.190 -5.640 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.854 0.061 -4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.686 -1.272 -5.959 1.00 0.00 H new ATOM 147 N THR A 9 14.033 -4.136 -0.945 1.00 0.00 N ATOM 148 CA THR A 9 15.161 -4.578 -0.095 1.00 0.00 C ATOM 149 C THR A 9 15.004 -6.047 0.348 1.00 0.00 C ATOM 150 O THR A 9 15.645 -6.480 1.305 1.00 0.00 O ATOM 151 CB THR A 9 15.226 -3.680 1.158 1.00 0.00 C ATOM 152 OG1 THR A 9 13.934 -3.512 1.710 1.00 0.00 O ATOM 153 CG2 THR A 9 15.741 -2.281 0.825 1.00 0.00 C ATOM 0 H THR A 9 13.348 -3.593 -0.419 1.00 0.00 H new ATOM 0 HA THR A 9 16.077 -4.498 -0.680 1.00 0.00 H new ATOM 0 HB THR A 9 15.901 -4.174 1.857 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.990 -2.942 2.505 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.772 -1.679 1.733 1.00 0.00 H new ATOM 0 HG22 THR A 9 16.743 -2.353 0.403 1.00 0.00 H new ATOM 0 HG23 THR A 9 15.075 -1.811 0.101 1.00 0.00 H new ATOM 161 N GLY A 10 14.177 -6.854 -0.330 1.00 0.00 N ATOM 162 CA GLY A 10 14.107 -8.299 -0.084 1.00 0.00 C ATOM 163 C GLY A 10 13.514 -8.679 1.278 1.00 0.00 C ATOM 164 O GLY A 10 13.971 -9.635 1.911 1.00 0.00 O ATOM 0 H GLY A 10 13.543 -6.526 -1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.509 -8.761 -0.869 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.110 -8.718 -0.160 1.00 0.00 H new ATOM 168 N LYS A 11 12.510 -7.934 1.756 1.00 0.00 N ATOM 169 CA LYS A 11 11.766 -8.241 2.989 1.00 0.00 C ATOM 170 C LYS A 11 10.270 -8.383 2.713 1.00 0.00 C ATOM 171 O LYS A 11 9.618 -7.427 2.291 1.00 0.00 O ATOM 172 CB LYS A 11 12.080 -7.194 4.078 1.00 0.00 C ATOM 173 CG LYS A 11 13.536 -7.272 4.572 1.00 0.00 C ATOM 174 CD LYS A 11 13.800 -8.453 5.526 1.00 0.00 C ATOM 175 CE LYS A 11 15.253 -8.942 5.437 1.00 0.00 C ATOM 176 NZ LYS A 11 15.450 -9.909 4.326 1.00 0.00 N ATOM 0 H LYS A 11 12.185 -7.086 1.291 1.00 0.00 H new ATOM 0 HA LYS A 11 12.095 -9.208 3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.887 -6.196 3.684 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.406 -7.339 4.922 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.199 -7.356 3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.789 -6.341 5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.580 -8.150 6.550 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.125 -9.274 5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.915 -8.087 5.295 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.536 -9.411 6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.445 -9.893 4.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.202 -10.866 4.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.841 -9.646 3.525 1.00 0.00 H new ATOM 190 N THR A 12 9.752 -9.590 2.925 1.00 0.00 N ATOM 191 CA THR A 12 8.323 -9.924 2.846 1.00 0.00 C ATOM 192 C THR A 12 7.513 -9.472 4.057 1.00 0.00 C ATOM 193 O THR A 12 7.710 -9.998 5.149 1.00 0.00 O ATOM 194 CB THR A 12 8.083 -11.414 2.546 1.00 0.00 C ATOM 195 OG1 THR A 12 9.094 -11.921 1.698 1.00 0.00 O ATOM 196 CG2 THR A 12 6.731 -11.668 1.881 1.00 0.00 C ATOM 0 H THR A 12 10.332 -10.394 3.165 1.00 0.00 H new ATOM 0 HA THR A 12 7.953 -9.347 1.999 1.00 0.00 H new ATOM 0 HB THR A 12 8.099 -11.923 3.510 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.926 -12.870 1.520 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.613 -12.735 1.692 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.932 -11.326 2.539 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.682 -11.124 0.937 1.00 0.00 H new ATOM 204 N ILE A 13 6.621 -8.498 3.880 1.00 0.00 N ATOM 205 CA ILE A 13 5.745 -8.010 4.953 1.00 0.00 C ATOM 206 C ILE A 13 4.509 -8.902 5.036 1.00 0.00 C ATOM 207 O ILE A 13 3.827 -9.088 4.035 1.00 0.00 O ATOM 208 CB ILE A 13 5.321 -6.540 4.726 1.00 0.00 C ATOM 209 CG1 ILE A 13 6.442 -5.631 4.174 1.00 0.00 C ATOM 210 CG2 ILE A 13 4.696 -5.951 6.003 1.00 0.00 C ATOM 211 CD1 ILE A 13 7.691 -5.526 5.064 1.00 0.00 C ATOM 0 H ILE A 13 6.483 -8.022 2.988 1.00 0.00 H new ATOM 0 HA ILE A 13 6.300 -8.048 5.890 1.00 0.00 H new ATOM 0 HB ILE A 13 4.567 -6.566 3.939 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.742 -6.004 3.195 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.037 -4.630 4.023 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.405 -4.916 5.822 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.816 -6.533 6.279 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.424 -5.986 6.814 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.420 -4.867 4.592 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.412 -5.121 6.037 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.128 -6.516 5.195 1.00 0.00 H new ATOM 223 N THR A 14 4.199 -9.397 6.229 1.00 0.00 N ATOM 224 CA THR A 14 2.970 -10.146 6.565 1.00 0.00 C ATOM 225 C THR A 14 1.863 -9.281 7.159 1.00 0.00 C ATOM 226 O THR A 14 2.138 -8.520 8.092 1.00 0.00 O ATOM 227 CB THR A 14 3.252 -11.352 7.479 1.00 0.00 C ATOM 228 OG1 THR A 14 4.466 -11.987 7.127 1.00 0.00 O ATOM 229 CG2 THR A 14 2.135 -12.391 7.456 1.00 0.00 C ATOM 0 H THR A 14 4.818 -9.288 7.032 1.00 0.00 H new ATOM 0 HA THR A 14 2.604 -10.514 5.607 1.00 0.00 H new ATOM 0 HB THR A 14 3.319 -10.945 8.488 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.622 -12.748 7.724 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.392 -13.216 8.120 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.205 -11.932 7.791 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.009 -12.767 6.441 1.00 0.00 H new ATOM 237 N LEU A 15 0.621 -9.414 6.674 1.00 0.00 N ATOM 238 CA LEU A 15 -0.560 -8.711 7.198 1.00 0.00 C ATOM 239 C LEU A 15 -1.778 -9.631 7.332 1.00 0.00 C ATOM 240 O LEU A 15 -2.050 -10.466 6.472 1.00 0.00 O ATOM 241 CB LEU A 15 -0.925 -7.508 6.304 1.00 0.00 C ATOM 242 CG LEU A 15 0.128 -6.392 6.252 1.00 0.00 C ATOM 243 CD1 LEU A 15 -0.224 -5.403 5.136 1.00 0.00 C ATOM 244 CD2 LEU A 15 0.234 -5.608 7.564 1.00 0.00 C ATOM 0 H LEU A 15 0.404 -10.027 5.888 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.291 -8.360 8.195 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.100 -7.868 5.290 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.864 -7.084 6.658 1.00 0.00 H new ATOM 0 HG LEU A 15 1.086 -6.879 6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.525 -4.612 5.101 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.244 -5.926 4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.204 -4.967 5.332 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.995 -4.834 7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.727 -5.146 7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.510 -6.286 8.372 1.00 0.00 H new ATOM 256 N GLU A 16 -2.536 -9.399 8.402 1.00 0.00 N ATOM 257 CA GLU A 16 -3.786 -10.089 8.764 1.00 0.00 C ATOM 258 C GLU A 16 -4.992 -9.162 8.486 1.00 0.00 C ATOM 259 O GLU A 16 -5.009 -8.024 8.967 1.00 0.00 O ATOM 260 CB GLU A 16 -3.733 -10.483 10.262 1.00 0.00 C ATOM 261 CG GLU A 16 -3.944 -11.977 10.570 1.00 0.00 C ATOM 262 CD GLU A 16 -2.645 -12.804 10.482 1.00 0.00 C ATOM 263 OE1 GLU A 16 -1.865 -12.649 9.520 1.00 0.00 O ATOM 264 OE2 GLU A 16 -2.365 -13.592 11.425 1.00 0.00 O ATOM 0 H GLU A 16 -2.285 -8.683 9.084 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.900 -10.992 8.164 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.765 -10.182 10.663 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.492 -9.911 10.796 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.365 -12.079 11.570 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.675 -12.386 9.873 1.00 0.00 H new ATOM 271 N VAL A 17 -5.983 -9.629 7.712 1.00 0.00 N ATOM 272 CA VAL A 17 -7.106 -8.823 7.173 1.00 0.00 C ATOM 273 C VAL A 17 -8.349 -9.713 6.950 1.00 0.00 C ATOM 274 O VAL A 17 -8.262 -10.943 6.871 1.00 0.00 O ATOM 275 CB VAL A 17 -6.710 -8.146 5.833 1.00 0.00 C ATOM 276 CG1 VAL A 17 -5.775 -6.947 6.044 1.00 0.00 C ATOM 277 CG2 VAL A 17 -6.031 -9.088 4.827 1.00 0.00 C ATOM 0 H VAL A 17 -6.033 -10.608 7.431 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.341 -8.049 7.903 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.665 -7.824 5.418 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.525 -6.506 5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.273 -6.202 6.665 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.862 -7.280 6.538 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.787 -8.536 3.919 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.117 -9.489 5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.707 -9.908 4.583 1.00 0.00 H new ATOM 287 N GLU A 18 -9.527 -9.104 6.817 1.00 0.00 N ATOM 288 CA GLU A 18 -10.708 -9.754 6.220 1.00 0.00 C ATOM 289 C GLU A 18 -10.660 -9.683 4.678 1.00 0.00 C ATOM 290 O GLU A 18 -10.156 -8.700 4.130 1.00 0.00 O ATOM 291 CB GLU A 18 -12.025 -9.125 6.727 1.00 0.00 C ATOM 292 CG GLU A 18 -12.347 -9.463 8.197 1.00 0.00 C ATOM 293 CD GLU A 18 -13.835 -9.295 8.568 1.00 0.00 C ATOM 294 OE1 GLU A 18 -14.731 -9.649 7.762 1.00 0.00 O ATOM 295 OE2 GLU A 18 -14.124 -8.867 9.713 1.00 0.00 O ATOM 0 H GLU A 18 -9.696 -8.144 7.119 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.684 -10.799 6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.966 -8.042 6.617 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.846 -9.466 6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.047 -10.492 8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.747 -8.825 8.846 1.00 0.00 H new ATOM 302 N PRO A 19 -11.234 -10.657 3.936 1.00 0.00 N ATOM 303 CA PRO A 19 -11.394 -10.526 2.478 1.00 0.00 C ATOM 304 C PRO A 19 -12.291 -9.338 2.080 1.00 0.00 C ATOM 305 O PRO A 19 -12.215 -8.820 0.961 1.00 0.00 O ATOM 306 CB PRO A 19 -12.004 -11.853 2.026 1.00 0.00 C ATOM 307 CG PRO A 19 -12.774 -12.335 3.253 1.00 0.00 C ATOM 308 CD PRO A 19 -11.902 -11.862 4.413 1.00 0.00 C ATOM 0 HA PRO A 19 -10.436 -10.322 1.999 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.662 -11.719 1.168 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.235 -12.567 1.730 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.774 -11.903 3.297 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -12.894 -13.418 3.254 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.505 -11.652 5.296 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -11.178 -12.626 4.696 1.00 0.00 H new ATOM 316 N SER A 20 -13.138 -8.899 3.018 1.00 0.00 N ATOM 317 CA SER A 20 -14.017 -7.730 2.926 1.00 0.00 C ATOM 318 C SER A 20 -13.296 -6.371 3.056 1.00 0.00 C ATOM 319 O SER A 20 -13.938 -5.357 2.778 1.00 0.00 O ATOM 320 CB SER A 20 -15.069 -7.832 4.057 1.00 0.00 C ATOM 321 OG SER A 20 -15.741 -9.101 4.006 1.00 0.00 O ATOM 0 H SER A 20 -13.233 -9.379 3.913 1.00 0.00 H new ATOM 0 HA SER A 20 -14.457 -7.749 1.929 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.584 -7.709 5.025 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.795 -7.025 3.960 1.00 0.00 H new ATOM 0 HG SER A 20 -16.402 -9.151 4.728 1.00 0.00 H new ATOM 327 N ASP A 21 -12.042 -6.335 3.539 1.00 0.00 N ATOM 328 CA ASP A 21 -11.342 -5.094 3.867 1.00 0.00 C ATOM 329 C ASP A 21 -11.270 -4.033 2.763 1.00 0.00 C ATOM 330 O ASP A 21 -10.883 -4.293 1.615 1.00 0.00 O ATOM 331 CB ASP A 21 -10.001 -5.328 4.572 1.00 0.00 C ATOM 332 CG ASP A 21 -10.104 -5.589 6.073 1.00 0.00 C ATOM 333 OD1 ASP A 21 -11.014 -5.056 6.737 1.00 0.00 O ATOM 334 OD2 ASP A 21 -9.229 -6.254 6.659 1.00 0.00 O ATOM 0 H ASP A 21 -11.488 -7.174 3.712 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.007 -4.630 4.595 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.503 -6.177 4.103 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.365 -4.457 4.412 1.00 0.00 H new ATOM 339 N THR A 22 -11.628 -2.802 3.131 1.00 0.00 N ATOM 340 CA THR A 22 -11.516 -1.627 2.263 1.00 0.00 C ATOM 341 C THR A 22 -10.024 -1.305 2.132 1.00 0.00 C ATOM 342 O THR A 22 -9.242 -1.505 3.062 1.00 0.00 O ATOM 343 CB THR A 22 -12.238 -0.416 2.891 1.00 0.00 C ATOM 344 OG1 THR A 22 -12.033 -0.319 4.290 1.00 0.00 O ATOM 345 CG2 THR A 22 -13.748 -0.505 2.669 1.00 0.00 C ATOM 0 H THR A 22 -12.009 -2.589 4.053 1.00 0.00 H new ATOM 0 HA THR A 22 -11.972 -1.831 1.294 1.00 0.00 H new ATOM 0 HB THR A 22 -11.814 0.459 2.399 1.00 0.00 H new ATOM 0 HG1 THR A 22 -12.407 0.526 4.618 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.234 0.360 3.121 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.958 -0.522 1.600 1.00 0.00 H new ATOM 0 HG23 THR A 22 -14.130 -1.417 3.128 1.00 0.00 H new ATOM 353 N ILE A 23 -9.593 -0.803 0.969 1.00 0.00 N ATOM 354 CA ILE A 23 -8.166 -0.550 0.696 1.00 0.00 C ATOM 355 C ILE A 23 -7.537 0.416 1.727 1.00 0.00 C ATOM 356 O ILE A 23 -6.357 0.286 2.063 1.00 0.00 O ATOM 357 CB ILE A 23 -7.981 -0.111 -0.774 1.00 0.00 C ATOM 358 CG1 ILE A 23 -8.385 -1.210 -1.797 1.00 0.00 C ATOM 359 CG2 ILE A 23 -6.534 0.322 -1.064 1.00 0.00 C ATOM 360 CD1 ILE A 23 -7.701 -2.573 -1.647 1.00 0.00 C ATOM 0 H ILE A 23 -10.213 -0.562 0.196 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.610 -1.479 0.821 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.653 0.738 -0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.462 -1.360 -1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.179 -0.834 -2.799 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.447 0.623 -2.108 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.270 1.161 -0.421 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.859 -0.511 -0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.067 -3.251 -2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.623 -2.453 -1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.926 -2.987 -0.664 1.00 0.00 H new ATOM 372 N GLU A 24 -8.318 1.359 2.263 1.00 0.00 N ATOM 373 CA GLU A 24 -7.974 2.197 3.429 1.00 0.00 C ATOM 374 C GLU A 24 -7.629 1.412 4.717 1.00 0.00 C ATOM 375 O GLU A 24 -6.592 1.692 5.312 1.00 0.00 O ATOM 376 CB GLU A 24 -9.100 3.232 3.699 1.00 0.00 C ATOM 377 CG GLU A 24 -10.509 2.605 3.680 1.00 0.00 C ATOM 378 CD GLU A 24 -11.462 3.040 4.806 1.00 0.00 C ATOM 379 OE1 GLU A 24 -11.301 4.161 5.346 1.00 0.00 O ATOM 380 OE2 GLU A 24 -12.354 2.177 5.055 1.00 0.00 O ATOM 0 H GLU A 24 -9.242 1.572 1.887 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.051 2.710 3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.930 3.702 4.668 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.049 4.021 2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.977 2.843 2.725 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.402 1.521 3.722 1.00 0.00 H new ATOM 387 N ASN A 25 -8.422 0.408 5.124 1.00 0.00 N ATOM 388 CA ASN A 25 -8.148 -0.438 6.299 1.00 0.00 C ATOM 389 C ASN A 25 -6.759 -1.097 6.216 1.00 0.00 C ATOM 390 O ASN A 25 -5.997 -1.131 7.184 1.00 0.00 O ATOM 391 CB ASN A 25 -9.277 -1.482 6.467 1.00 0.00 C ATOM 392 CG ASN A 25 -10.266 -1.105 7.550 1.00 0.00 C ATOM 393 OD1 ASN A 25 -10.008 -1.258 8.733 1.00 0.00 O ATOM 394 ND2 ASN A 25 -11.438 -0.647 7.189 1.00 0.00 N ATOM 0 H ASN A 25 -9.284 0.157 4.640 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.132 0.194 7.187 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.806 -1.594 5.521 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.838 -2.451 6.703 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.136 -0.418 7.897 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.653 -0.519 6.200 1.00 0.00 H new ATOM 401 N VAL A 26 -6.390 -1.579 5.029 1.00 0.00 N ATOM 402 CA VAL A 26 -5.046 -2.120 4.745 1.00 0.00 C ATOM 403 C VAL A 26 -3.933 -1.064 4.743 1.00 0.00 C ATOM 404 O VAL A 26 -2.873 -1.285 5.333 1.00 0.00 O ATOM 405 CB VAL A 26 -5.022 -2.926 3.436 1.00 0.00 C ATOM 406 CG1 VAL A 26 -3.803 -3.859 3.381 1.00 0.00 C ATOM 407 CG2 VAL A 26 -6.284 -3.777 3.236 1.00 0.00 C ATOM 0 H VAL A 26 -7.017 -1.608 4.225 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.832 -2.789 5.578 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.971 -2.184 2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.813 -4.416 2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.889 -3.268 3.442 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.840 -4.556 4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.209 -4.323 2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.380 -4.484 4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.160 -3.129 3.211 1.00 0.00 H new ATOM 417 N LYS A 27 -4.197 0.116 4.156 1.00 0.00 N ATOM 418 CA LYS A 27 -3.306 1.293 4.236 1.00 0.00 C ATOM 419 C LYS A 27 -3.084 1.756 5.680 1.00 0.00 C ATOM 420 O LYS A 27 -2.021 2.292 5.962 1.00 0.00 O ATOM 421 CB LYS A 27 -3.859 2.468 3.402 1.00 0.00 C ATOM 422 CG LYS A 27 -3.143 2.721 2.067 1.00 0.00 C ATOM 423 CD LYS A 27 -3.498 1.703 0.977 1.00 0.00 C ATOM 424 CE LYS A 27 -3.047 2.222 -0.396 1.00 0.00 C ATOM 425 NZ LYS A 27 -3.541 1.355 -1.494 1.00 0.00 N ATOM 0 H LYS A 27 -5.041 0.284 3.608 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.346 0.979 3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.914 2.283 3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.804 3.376 4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.394 3.721 1.714 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.066 2.702 2.233 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.017 0.748 1.190 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.573 1.524 0.972 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.414 3.238 -0.540 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.958 2.268 -0.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.743 1.069 -2.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.992 0.509 -1.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.235 1.879 -2.065 1.00 0.00 H new ATOM 439 N ALA A 28 -4.038 1.543 6.584 1.00 0.00 N ATOM 440 CA ALA A 28 -3.878 1.843 8.008 1.00 0.00 C ATOM 441 C ALA A 28 -3.060 0.755 8.732 1.00 0.00 C ATOM 442 O ALA A 28 -2.004 1.038 9.309 1.00 0.00 O ATOM 443 CB ALA A 28 -5.264 2.051 8.632 1.00 0.00 C ATOM 0 H ALA A 28 -4.951 1.154 6.349 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.305 2.763 8.122 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.155 2.275 9.693 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.766 2.881 8.135 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.857 1.144 8.512 1.00 0.00 H new ATOM 449 N LYS A 29 -3.485 -0.517 8.626 1.00 0.00 N ATOM 450 CA LYS A 29 -2.830 -1.667 9.282 1.00 0.00 C ATOM 451 C LYS A 29 -1.330 -1.778 9.001 1.00 0.00 C ATOM 452 O LYS A 29 -0.565 -2.117 9.903 1.00 0.00 O ATOM 453 CB LYS A 29 -3.536 -2.979 8.891 1.00 0.00 C ATOM 454 CG LYS A 29 -4.824 -3.229 9.693 1.00 0.00 C ATOM 455 CD LYS A 29 -5.495 -4.555 9.274 1.00 0.00 C ATOM 456 CE LYS A 29 -6.132 -5.317 10.447 1.00 0.00 C ATOM 457 NZ LYS A 29 -7.386 -4.698 10.937 1.00 0.00 N ATOM 0 H LYS A 29 -4.303 -0.780 8.076 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.925 -1.490 10.353 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.775 -2.954 7.828 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.851 -3.813 9.044 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.593 -3.256 10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.518 -2.403 9.538 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.262 -4.345 8.528 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.752 -5.194 8.797 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.338 -6.341 10.137 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.417 -5.370 11.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.764 -5.259 11.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.191 -3.730 11.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.084 -4.670 10.166 1.00 0.00 H new ATOM 471 N ILE A 30 -0.890 -1.453 7.783 1.00 0.00 N ATOM 472 CA ILE A 30 0.533 -1.537 7.403 1.00 0.00 C ATOM 473 C ILE A 30 1.430 -0.560 8.191 1.00 0.00 C ATOM 474 O ILE A 30 2.620 -0.830 8.374 1.00 0.00 O ATOM 475 CB ILE A 30 0.690 -1.331 5.878 1.00 0.00 C ATOM 476 CG1 ILE A 30 2.013 -1.973 5.417 1.00 0.00 C ATOM 477 CG2 ILE A 30 0.626 0.141 5.443 1.00 0.00 C ATOM 478 CD1 ILE A 30 2.148 -2.058 3.889 1.00 0.00 C ATOM 0 H ILE A 30 -1.500 -1.126 7.034 1.00 0.00 H new ATOM 0 HA ILE A 30 0.875 -2.538 7.667 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.160 -1.816 5.398 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.847 -1.396 5.817 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.088 -2.976 5.838 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.744 0.206 4.361 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.337 0.563 5.729 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.426 0.699 5.929 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.102 -2.520 3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.334 -2.659 3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.105 -1.055 3.464 1.00 0.00 H new ATOM 490 N GLN A 31 0.888 0.565 8.666 1.00 0.00 N ATOM 491 CA GLN A 31 1.665 1.588 9.369 1.00 0.00 C ATOM 492 C GLN A 31 1.669 1.388 10.888 1.00 0.00 C ATOM 493 O GLN A 31 2.685 1.659 11.521 1.00 0.00 O ATOM 494 CB GLN A 31 1.174 2.991 8.996 1.00 0.00 C ATOM 495 CG GLN A 31 1.675 3.419 7.610 1.00 0.00 C ATOM 496 CD GLN A 31 0.615 4.140 6.797 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.058 5.048 7.257 1.00 0.00 O ATOM 498 NE2 GLN A 31 0.462 3.783 5.546 1.00 0.00 N ATOM 0 H GLN A 31 -0.102 0.792 8.574 1.00 0.00 H new ATOM 0 HA GLN A 31 2.700 1.483 9.042 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.084 3.011 9.011 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.516 3.707 9.743 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.541 4.070 7.727 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.010 2.538 7.062 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.024 3.024 5.160 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.219 4.264 4.958 1.00 0.00 H new ATOM 507 N ASP A 32 0.562 0.904 11.461 1.00 0.00 N ATOM 508 CA ASP A 32 0.543 0.380 12.837 1.00 0.00 C ATOM 509 C ASP A 32 1.435 -0.865 13.057 1.00 0.00 C ATOM 510 O ASP A 32 2.211 -0.882 14.019 1.00 0.00 O ATOM 511 CB ASP A 32 -0.924 0.159 13.309 1.00 0.00 C ATOM 512 CG ASP A 32 -1.551 1.308 14.142 1.00 0.00 C ATOM 513 OD1 ASP A 32 -0.793 2.076 14.786 1.00 0.00 O ATOM 514 OD2 ASP A 32 -2.808 1.374 14.217 1.00 0.00 O ATOM 0 H ASP A 32 -0.342 0.863 10.990 1.00 0.00 H new ATOM 0 HA ASP A 32 0.999 1.143 13.468 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.546 -0.007 12.430 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.960 -0.755 13.902 1.00 0.00 H new ATOM 519 N LYS A 33 1.352 -1.870 12.165 1.00 0.00 N ATOM 520 CA LYS A 33 2.070 -3.142 12.322 1.00 0.00 C ATOM 521 C LYS A 33 3.568 -3.006 12.096 1.00 0.00 C ATOM 522 O LYS A 33 4.347 -3.570 12.857 1.00 0.00 O ATOM 523 CB LYS A 33 1.446 -4.183 11.379 1.00 0.00 C ATOM 524 CG LYS A 33 1.906 -5.615 11.667 1.00 0.00 C ATOM 525 CD LYS A 33 3.136 -6.056 10.854 1.00 0.00 C ATOM 526 CE LYS A 33 3.760 -7.340 11.439 1.00 0.00 C ATOM 527 NZ LYS A 33 4.976 -7.745 10.672 1.00 0.00 N ATOM 0 H LYS A 33 0.786 -1.820 11.318 1.00 0.00 H new ATOM 0 HA LYS A 33 1.963 -3.472 13.355 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.360 -4.134 11.463 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.698 -3.928 10.350 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.135 -5.705 12.729 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.083 -6.298 11.459 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.847 -6.229 9.817 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.878 -5.257 10.850 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.023 -7.177 12.484 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.027 -8.147 11.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.507 -8.457 11.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.691 -8.148 9.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.578 -6.913 10.511 1.00 0.00 H new ATOM 541 N GLU A 34 3.956 -2.361 10.994 1.00 0.00 N ATOM 542 CA GLU A 34 5.349 -2.303 10.519 1.00 0.00 C ATOM 543 C GLU A 34 5.891 -0.862 10.422 1.00 0.00 C ATOM 544 O GLU A 34 6.904 -0.549 11.057 1.00 0.00 O ATOM 545 CB GLU A 34 5.476 -3.022 9.160 1.00 0.00 C ATOM 546 CG GLU A 34 6.913 -3.486 8.842 1.00 0.00 C ATOM 547 CD GLU A 34 7.254 -4.840 9.484 1.00 0.00 C ATOM 548 OE1 GLU A 34 6.341 -5.551 9.970 1.00 0.00 O ATOM 549 OE2 GLU A 34 8.441 -5.251 9.494 1.00 0.00 O ATOM 0 H GLU A 34 3.305 -1.855 10.394 1.00 0.00 H new ATOM 0 HA GLU A 34 5.961 -2.815 11.261 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.813 -3.887 9.152 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.136 -2.352 8.370 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.036 -3.559 7.761 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.619 -2.734 9.193 1.00 0.00 H new ATOM 556 N GLY A 35 5.198 0.009 9.672 1.00 0.00 N ATOM 557 CA GLY A 35 5.604 1.400 9.425 1.00 0.00 C ATOM 558 C GLY A 35 5.952 1.709 7.954 1.00 0.00 C ATOM 559 O GLY A 35 7.076 2.122 7.678 1.00 0.00 O ATOM 0 H GLY A 35 4.322 -0.240 9.212 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.799 2.063 9.742 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.470 1.629 10.047 1.00 0.00 H new ATOM 563 N ILE A 36 5.003 1.521 7.023 1.00 0.00 N ATOM 564 CA ILE A 36 5.173 1.841 5.586 1.00 0.00 C ATOM 565 C ILE A 36 4.199 2.976 5.177 1.00 0.00 C ATOM 566 O ILE A 36 3.079 2.682 4.754 1.00 0.00 O ATOM 567 CB ILE A 36 5.052 0.548 4.736 1.00 0.00 C ATOM 568 CG1 ILE A 36 6.128 -0.482 5.173 1.00 0.00 C ATOM 569 CG2 ILE A 36 5.195 0.830 3.230 1.00 0.00 C ATOM 570 CD1 ILE A 36 6.065 -1.845 4.472 1.00 0.00 C ATOM 0 H ILE A 36 4.084 1.138 7.244 1.00 0.00 H new ATOM 0 HA ILE A 36 6.174 2.227 5.393 1.00 0.00 H new ATOM 0 HB ILE A 36 4.056 0.141 4.908 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.113 -0.048 4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.037 -0.642 6.247 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.104 -0.104 2.675 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.412 1.519 2.913 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.171 1.275 3.034 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.860 -2.487 4.852 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.099 -2.310 4.667 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.191 -1.708 3.398 1.00 0.00 H new ATOM 582 N PRO A 37 4.580 4.261 5.337 1.00 0.00 N ATOM 583 CA PRO A 37 3.739 5.430 5.033 1.00 0.00 C ATOM 584 C PRO A 37 3.739 5.801 3.534 1.00 0.00 C ATOM 585 O PRO A 37 4.691 5.457 2.822 1.00 0.00 O ATOM 586 CB PRO A 37 4.324 6.565 5.884 1.00 0.00 C ATOM 587 CG PRO A 37 5.814 6.234 5.903 1.00 0.00 C ATOM 588 CD PRO A 37 5.824 4.707 5.953 1.00 0.00 C ATOM 0 HA PRO A 37 2.693 5.226 5.263 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.132 7.543 5.443 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.899 6.579 6.888 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.323 6.612 5.017 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.314 6.670 6.768 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.686 4.308 5.418 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.895 4.354 6.982 1.00 0.00 H new ATOM 596 N PRO A 38 2.730 6.547 3.027 1.00 0.00 N ATOM 597 CA PRO A 38 2.596 6.860 1.590 1.00 0.00 C ATOM 598 C PRO A 38 3.667 7.803 1.029 1.00 0.00 C ATOM 599 O PRO A 38 4.111 7.628 -0.104 1.00 0.00 O ATOM 600 CB PRO A 38 1.197 7.469 1.448 1.00 0.00 C ATOM 601 CG PRO A 38 0.921 8.086 2.819 1.00 0.00 C ATOM 602 CD PRO A 38 1.610 7.110 3.771 1.00 0.00 C ATOM 0 HA PRO A 38 2.737 5.951 1.006 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.167 8.220 0.659 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.456 6.711 1.195 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.334 9.091 2.901 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.147 8.163 3.021 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.956 7.620 4.670 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.923 6.328 4.093 1.00 0.00 H new ATOM 610 N ASP A 39 4.195 8.732 1.833 1.00 0.00 N ATOM 611 CA ASP A 39 5.219 9.701 1.403 1.00 0.00 C ATOM 612 C ASP A 39 6.618 9.163 0.999 1.00 0.00 C ATOM 613 O ASP A 39 7.586 9.922 0.853 1.00 0.00 O ATOM 614 CB ASP A 39 5.243 10.947 2.324 1.00 0.00 C ATOM 615 CG ASP A 39 4.210 12.029 1.990 1.00 0.00 C ATOM 616 OD1 ASP A 39 3.335 11.801 1.124 1.00 0.00 O ATOM 617 OD2 ASP A 39 4.378 13.156 2.522 1.00 0.00 O ATOM 0 H ASP A 39 3.924 8.837 2.811 1.00 0.00 H new ATOM 0 HA ASP A 39 4.870 10.015 0.419 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.084 10.621 3.352 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.237 11.391 2.280 1.00 0.00 H new ATOM 622 N GLN A 40 6.747 7.850 0.772 1.00 0.00 N ATOM 623 CA GLN A 40 7.990 7.153 0.435 1.00 0.00 C ATOM 624 C GLN A 40 7.818 6.039 -0.626 1.00 0.00 C ATOM 625 O GLN A 40 8.798 5.668 -1.275 1.00 0.00 O ATOM 626 CB GLN A 40 8.579 6.672 1.778 1.00 0.00 C ATOM 627 CG GLN A 40 10.012 6.127 1.690 1.00 0.00 C ATOM 628 CD GLN A 40 10.094 4.642 1.353 1.00 0.00 C ATOM 629 OE1 GLN A 40 9.146 3.884 1.475 1.00 0.00 O ATOM 630 NE2 GLN A 40 11.234 4.165 0.915 1.00 0.00 N ATOM 0 H GLN A 40 5.949 7.217 0.821 1.00 0.00 H new ATOM 0 HA GLN A 40 8.688 7.824 -0.066 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.563 7.502 2.485 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.933 5.894 2.185 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.558 6.691 0.934 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.514 6.301 2.642 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.038 4.784 0.807 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.317 3.175 0.683 1.00 0.00 H new ATOM 639 N ASN A 41 6.601 5.536 -0.892 1.00 0.00 N ATOM 640 CA ASN A 41 6.370 4.316 -1.686 1.00 0.00 C ATOM 641 C ASN A 41 4.942 4.240 -2.289 1.00 0.00 C ATOM 642 O ASN A 41 4.120 5.120 -2.033 1.00 0.00 O ATOM 643 CB ASN A 41 6.663 3.124 -0.751 1.00 0.00 C ATOM 644 CG ASN A 41 5.775 3.141 0.475 1.00 0.00 C ATOM 645 OD1 ASN A 41 4.602 2.818 0.409 1.00 0.00 O ATOM 646 ND2 ASN A 41 6.314 3.519 1.605 1.00 0.00 N ATOM 0 H ASN A 41 5.740 5.969 -0.558 1.00 0.00 H new ATOM 0 HA ASN A 41 7.029 4.309 -2.554 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.515 2.191 -1.294 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.708 3.151 -0.443 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.750 3.548 2.455 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.298 3.785 1.637 1.00 0.00 H new ATOM 653 N ARG A 42 4.619 3.205 -3.090 1.00 0.00 N ATOM 654 CA ARG A 42 3.256 2.975 -3.614 1.00 0.00 C ATOM 655 C ARG A 42 3.018 1.486 -3.913 1.00 0.00 C ATOM 656 O ARG A 42 3.774 0.864 -4.651 1.00 0.00 O ATOM 657 CB ARG A 42 3.032 3.890 -4.841 1.00 0.00 C ATOM 658 CG ARG A 42 1.557 4.089 -5.235 1.00 0.00 C ATOM 659 CD ARG A 42 1.427 5.312 -6.167 1.00 0.00 C ATOM 660 NE ARG A 42 0.078 5.440 -6.757 1.00 0.00 N ATOM 661 CZ ARG A 42 -0.871 6.342 -6.544 1.00 0.00 C ATOM 662 NH1 ARG A 42 -0.780 7.267 -5.625 1.00 0.00 N ATOM 663 NH2 ARG A 42 -1.939 6.289 -7.289 1.00 0.00 N ATOM 0 H ARG A 42 5.296 2.504 -3.393 1.00 0.00 H new ATOM 0 HA ARG A 42 2.515 3.239 -2.860 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.474 4.865 -4.635 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.568 3.471 -5.692 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.181 3.197 -5.736 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.949 4.234 -4.342 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.661 6.217 -5.606 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.163 5.233 -6.967 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.162 4.719 -7.437 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.049 7.318 -5.033 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.538 7.938 -5.500 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.024 5.570 -8.007 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.689 6.966 -7.154 1.00 0.00 H new ATOM 677 N LEU A 43 1.997 0.886 -3.294 1.00 0.00 N ATOM 678 CA LEU A 43 1.711 -0.560 -3.391 1.00 0.00 C ATOM 679 C LEU A 43 1.156 -0.949 -4.777 1.00 0.00 C ATOM 680 O LEU A 43 0.180 -0.350 -5.236 1.00 0.00 O ATOM 681 CB LEU A 43 0.706 -0.987 -2.300 1.00 0.00 C ATOM 682 CG LEU A 43 1.331 -1.358 -0.943 1.00 0.00 C ATOM 683 CD1 LEU A 43 1.883 -0.153 -0.178 1.00 0.00 C ATOM 684 CD2 LEU A 43 0.268 -2.011 -0.053 1.00 0.00 C ATOM 0 H LEU A 43 1.335 1.390 -2.704 1.00 0.00 H new ATOM 0 HA LEU A 43 2.657 -1.081 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.004 -0.175 -2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.138 -1.842 -2.666 1.00 0.00 H new ATOM 0 HG LEU A 43 2.158 -2.032 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.308 -0.487 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.657 0.332 -0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.077 0.555 0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.710 -2.274 0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.554 -1.313 0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.109 -2.912 -0.538 1.00 0.00 H new ATOM 696 N ILE A 44 1.745 -1.980 -5.392 1.00 0.00 N ATOM 697 CA ILE A 44 1.318 -2.534 -6.706 1.00 0.00 C ATOM 698 C ILE A 44 0.781 -3.977 -6.595 1.00 0.00 C ATOM 699 O ILE A 44 1.307 -4.779 -5.828 1.00 0.00 O ATOM 700 CB ILE A 44 2.492 -2.475 -7.715 1.00 0.00 C ATOM 701 CG1 ILE A 44 3.185 -1.089 -7.790 1.00 0.00 C ATOM 702 CG2 ILE A 44 2.080 -2.916 -9.132 1.00 0.00 C ATOM 703 CD1 ILE A 44 2.289 0.078 -8.222 1.00 0.00 C ATOM 0 H ILE A 44 2.546 -2.470 -4.994 1.00 0.00 H new ATOM 0 HA ILE A 44 0.495 -1.915 -7.064 1.00 0.00 H new ATOM 0 HB ILE A 44 3.216 -3.187 -7.318 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.604 -0.859 -6.810 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.021 -1.158 -8.486 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.941 -2.855 -9.797 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.717 -3.943 -9.102 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.290 -2.262 -9.501 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.873 0.998 -8.241 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.890 -0.119 -9.217 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.466 0.186 -7.516 1.00 0.00 H new ATOM 715 N PHE A 45 -0.212 -4.359 -7.402 1.00 0.00 N ATOM 716 CA PHE A 45 -0.638 -5.759 -7.561 1.00 0.00 C ATOM 717 C PHE A 45 -0.971 -6.183 -8.996 1.00 0.00 C ATOM 718 O PHE A 45 -1.798 -5.547 -9.644 1.00 0.00 O ATOM 719 CB PHE A 45 -1.701 -6.132 -6.519 1.00 0.00 C ATOM 720 CG PHE A 45 -2.431 -7.445 -6.737 1.00 0.00 C ATOM 721 CD1 PHE A 45 -3.582 -7.492 -7.546 1.00 0.00 C ATOM 722 CD2 PHE A 45 -1.980 -8.618 -6.100 1.00 0.00 C ATOM 723 CE1 PHE A 45 -4.286 -8.699 -7.705 1.00 0.00 C ATOM 724 CE2 PHE A 45 -2.688 -9.824 -6.255 1.00 0.00 C ATOM 725 CZ PHE A 45 -3.842 -9.865 -7.058 1.00 0.00 C ATOM 0 H PHE A 45 -0.749 -3.703 -7.969 1.00 0.00 H new ATOM 0 HA PHE A 45 0.240 -6.369 -7.350 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.222 -6.166 -5.540 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.441 -5.332 -6.484 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.925 -6.598 -8.046 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.088 -8.591 -5.491 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.169 -8.730 -8.325 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.345 -10.719 -5.757 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.386 -10.790 -7.177 1.00 0.00 H new ATOM 735 N ALA A 46 -0.322 -7.240 -9.506 1.00 0.00 N ATOM 736 CA ALA A 46 -0.526 -7.768 -10.866 1.00 0.00 C ATOM 737 C ALA A 46 -0.503 -6.671 -11.962 1.00 0.00 C ATOM 738 O ALA A 46 -1.402 -6.574 -12.798 1.00 0.00 O ATOM 739 CB ALA A 46 -1.790 -8.640 -10.879 1.00 0.00 C ATOM 0 H ALA A 46 0.374 -7.763 -8.975 1.00 0.00 H new ATOM 0 HA ALA A 46 0.323 -8.399 -11.130 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.949 -9.035 -11.882 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.669 -9.466 -10.178 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.650 -8.038 -10.586 1.00 0.00 H new ATOM 745 N GLY A 47 0.495 -5.776 -11.896 1.00 0.00 N ATOM 746 CA GLY A 47 0.659 -4.611 -12.782 1.00 0.00 C ATOM 747 C GLY A 47 -0.257 -3.407 -12.489 1.00 0.00 C ATOM 748 O GLY A 47 0.087 -2.286 -12.868 1.00 0.00 O ATOM 0 H GLY A 47 1.237 -5.845 -11.200 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.695 -4.277 -12.723 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.486 -4.933 -13.809 1.00 0.00 H new ATOM 752 N LYS A 48 -1.388 -3.603 -11.793 1.00 0.00 N ATOM 753 CA LYS A 48 -2.352 -2.555 -11.419 1.00 0.00 C ATOM 754 C LYS A 48 -2.003 -1.851 -10.097 1.00 0.00 C ATOM 755 O LYS A 48 -1.454 -2.446 -9.170 1.00 0.00 O ATOM 756 CB LYS A 48 -3.774 -3.152 -11.447 1.00 0.00 C ATOM 757 CG LYS A 48 -4.327 -3.216 -12.888 1.00 0.00 C ATOM 758 CD LYS A 48 -5.542 -4.145 -13.042 1.00 0.00 C ATOM 759 CE LYS A 48 -6.234 -3.890 -14.394 1.00 0.00 C ATOM 760 NZ LYS A 48 -7.149 -4.992 -14.786 1.00 0.00 N ATOM 0 H LYS A 48 -1.666 -4.527 -11.464 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.302 -1.752 -12.155 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.759 -4.153 -11.016 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.437 -2.548 -10.827 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.606 -2.211 -13.206 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.535 -3.553 -13.557 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.225 -5.186 -12.978 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.245 -3.975 -12.227 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.797 -2.958 -14.340 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.476 -3.760 -15.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.588 -4.770 -15.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.611 -5.878 -14.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.890 -5.101 -14.065 1.00 0.00 H new ATOM 774 N GLN A 49 -2.342 -0.565 -10.001 1.00 0.00 N ATOM 775 CA GLN A 49 -2.252 0.227 -8.766 1.00 0.00 C ATOM 776 C GLN A 49 -3.527 0.086 -7.916 1.00 0.00 C ATOM 777 O GLN A 49 -4.603 -0.209 -8.436 1.00 0.00 O ATOM 778 CB GLN A 49 -2.058 1.713 -9.100 1.00 0.00 C ATOM 779 CG GLN A 49 -0.799 2.053 -9.910 1.00 0.00 C ATOM 780 CD GLN A 49 -0.713 3.563 -10.123 1.00 0.00 C ATOM 781 OE1 GLN A 49 -0.755 4.342 -9.180 1.00 0.00 O ATOM 782 NE2 GLN A 49 -0.602 4.043 -11.343 1.00 0.00 N ATOM 0 H GLN A 49 -2.695 -0.030 -10.795 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.399 -0.150 -8.201 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.930 2.059 -9.656 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.031 2.276 -8.167 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.089 1.699 -9.385 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.825 1.542 -10.872 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.566 3.407 -12.140 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.552 5.051 -11.492 1.00 0.00 H new ATOM 791 N LEU A 50 -3.425 0.367 -6.613 1.00 0.00 N ATOM 792 CA LEU A 50 -4.471 0.135 -5.610 1.00 0.00 C ATOM 793 C LEU A 50 -4.801 1.424 -4.836 1.00 0.00 C ATOM 794 O LEU A 50 -3.939 1.962 -4.132 1.00 0.00 O ATOM 795 CB LEU A 50 -4.017 -0.979 -4.641 1.00 0.00 C ATOM 796 CG LEU A 50 -3.564 -2.311 -5.274 1.00 0.00 C ATOM 797 CD1 LEU A 50 -3.133 -3.241 -4.145 1.00 0.00 C ATOM 798 CD2 LEU A 50 -4.677 -2.987 -6.063 1.00 0.00 C ATOM 0 H LEU A 50 -2.581 0.777 -6.213 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.380 -0.180 -6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.194 -0.592 -4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.839 -1.190 -3.957 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.750 -2.102 -5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.807 -4.193 -4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.311 -2.786 -3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.973 -3.409 -3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.307 -3.920 -6.488 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.516 -3.198 -5.400 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.006 -2.328 -6.866 1.00 0.00 H new ATOM 810 N GLU A 51 -6.054 1.874 -4.891 1.00 0.00 N ATOM 811 CA GLU A 51 -6.533 3.156 -4.349 1.00 0.00 C ATOM 812 C GLU A 51 -7.783 3.008 -3.447 1.00 0.00 C ATOM 813 O GLU A 51 -8.356 1.921 -3.363 1.00 0.00 O ATOM 814 CB GLU A 51 -6.708 4.125 -5.541 1.00 0.00 C ATOM 815 CG GLU A 51 -5.431 4.964 -5.780 1.00 0.00 C ATOM 816 CD GLU A 51 -5.598 6.177 -6.721 1.00 0.00 C ATOM 817 OE1 GLU A 51 -6.684 6.394 -7.328 1.00 0.00 O ATOM 818 OE2 GLU A 51 -4.599 6.930 -6.826 1.00 0.00 O ATOM 0 H GLU A 51 -6.799 1.336 -5.333 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.798 3.576 -3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.946 3.558 -6.441 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.551 4.789 -5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.067 5.321 -4.817 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.660 4.312 -6.190 1.00 0.00 H new ATOM 825 N ASP A 52 -8.168 4.070 -2.725 1.00 0.00 N ATOM 826 CA ASP A 52 -9.321 4.067 -1.814 1.00 0.00 C ATOM 827 C ASP A 52 -10.715 3.874 -2.447 1.00 0.00 C ATOM 828 O ASP A 52 -10.885 3.823 -3.662 1.00 0.00 O ATOM 829 CB ASP A 52 -9.263 5.197 -0.761 1.00 0.00 C ATOM 830 CG ASP A 52 -8.797 6.560 -1.283 1.00 0.00 C ATOM 831 OD1 ASP A 52 -7.577 6.715 -1.521 1.00 0.00 O ATOM 832 OD2 ASP A 52 -9.620 7.499 -1.365 1.00 0.00 O ATOM 0 H ASP A 52 -7.681 4.966 -2.758 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.196 3.128 -1.275 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.255 5.314 -0.324 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.595 4.887 0.043 1.00 0.00 H new ATOM 837 N GLY A 53 -11.740 3.682 -1.608 1.00 0.00 N ATOM 838 CA GLY A 53 -13.134 3.432 -2.019 1.00 0.00 C ATOM 839 C GLY A 53 -13.429 1.999 -2.493 1.00 0.00 C ATOM 840 O GLY A 53 -14.589 1.585 -2.485 1.00 0.00 O ATOM 0 H GLY A 53 -11.623 3.696 -0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.790 3.663 -1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.389 4.123 -2.822 1.00 0.00 H new ATOM 844 N ARG A 54 -12.398 1.238 -2.886 1.00 0.00 N ATOM 845 CA ARG A 54 -12.466 -0.182 -3.291 1.00 0.00 C ATOM 846 C ARG A 54 -12.182 -1.159 -2.130 1.00 0.00 C ATOM 847 O ARG A 54 -11.766 -0.734 -1.049 1.00 0.00 O ATOM 848 CB ARG A 54 -11.488 -0.362 -4.471 1.00 0.00 C ATOM 849 CG ARG A 54 -11.859 0.447 -5.742 1.00 0.00 C ATOM 850 CD ARG A 54 -12.398 -0.483 -6.834 1.00 0.00 C ATOM 851 NE ARG A 54 -12.782 0.200 -8.085 1.00 0.00 N ATOM 852 CZ ARG A 54 -13.203 -0.425 -9.173 1.00 0.00 C ATOM 853 NH1 ARG A 54 -13.372 -1.712 -9.239 1.00 0.00 N ATOM 854 NH2 ARG A 54 -13.482 0.226 -10.261 1.00 0.00 N ATOM 0 H ARG A 54 -11.449 1.608 -2.934 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.482 -0.430 -3.598 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.490 -0.068 -4.147 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.441 -1.420 -4.730 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.608 1.199 -5.495 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.982 0.979 -6.110 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.640 -1.232 -7.062 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.266 -1.015 -6.444 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.719 1.218 -8.113 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.177 -2.294 -8.424 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.699 -2.140 -10.105 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.378 1.240 -10.289 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.805 -0.277 -11.088 1.00 0.00 H new ATOM 868 N THR A 55 -12.344 -2.466 -2.367 1.00 0.00 N ATOM 869 CA THR A 55 -11.954 -3.568 -1.457 1.00 0.00 C ATOM 870 C THR A 55 -10.897 -4.513 -2.026 1.00 0.00 C ATOM 871 O THR A 55 -10.655 -4.539 -3.235 1.00 0.00 O ATOM 872 CB THR A 55 -13.141 -4.339 -0.839 1.00 0.00 C ATOM 873 OG1 THR A 55 -13.531 -5.391 -1.692 1.00 0.00 O ATOM 874 CG2 THR A 55 -14.380 -3.495 -0.551 1.00 0.00 C ATOM 0 H THR A 55 -12.767 -2.807 -3.231 1.00 0.00 H new ATOM 0 HA THR A 55 -11.475 -3.042 -0.631 1.00 0.00 H new ATOM 0 HB THR A 55 -12.766 -4.698 0.119 1.00 0.00 H new ATOM 0 HG1 THR A 55 -14.283 -5.875 -1.291 1.00 0.00 H new ATOM 0 HG21 THR A 55 -15.157 -4.125 -0.119 1.00 0.00 H new ATOM 0 HG22 THR A 55 -14.125 -2.701 0.151 1.00 0.00 H new ATOM 0 HG23 THR A 55 -14.744 -3.055 -1.479 1.00 0.00 H new ATOM 882 N LEU A 56 -10.272 -5.325 -1.167 1.00 0.00 N ATOM 883 CA LEU A 56 -9.302 -6.355 -1.577 1.00 0.00 C ATOM 884 C LEU A 56 -9.875 -7.339 -2.607 1.00 0.00 C ATOM 885 O LEU A 56 -9.314 -7.508 -3.692 1.00 0.00 O ATOM 886 CB LEU A 56 -8.855 -7.157 -0.343 1.00 0.00 C ATOM 887 CG LEU A 56 -7.910 -6.412 0.617 1.00 0.00 C ATOM 888 CD1 LEU A 56 -7.631 -7.281 1.844 1.00 0.00 C ATOM 889 CD2 LEU A 56 -6.562 -6.114 -0.051 1.00 0.00 C ATOM 0 H LEU A 56 -10.424 -5.288 -0.159 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.465 -5.832 -2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.742 -7.464 0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.360 -8.067 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.397 -5.478 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.962 -6.750 2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.568 -7.498 2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.164 -8.215 1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.916 -5.587 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.088 -7.050 -0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.722 -5.493 -0.932 1.00 0.00 H new ATOM 901 N SER A 57 -11.031 -7.943 -2.308 1.00 0.00 N ATOM 902 CA SER A 57 -11.632 -8.939 -3.202 1.00 0.00 C ATOM 903 C SER A 57 -12.129 -8.340 -4.522 1.00 0.00 C ATOM 904 O SER A 57 -12.267 -9.078 -5.497 1.00 0.00 O ATOM 905 CB SER A 57 -12.779 -9.683 -2.518 1.00 0.00 C ATOM 906 OG SER A 57 -13.286 -10.675 -3.399 1.00 0.00 O ATOM 0 H SER A 57 -11.566 -7.761 -1.459 1.00 0.00 H new ATOM 0 HA SER A 57 -10.832 -9.641 -3.437 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.429 -10.145 -1.595 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.570 -8.984 -2.245 1.00 0.00 H new ATOM 0 HG SER A 57 -14.021 -11.155 -2.963 1.00 0.00 H new ATOM 912 N ASP A 58 -12.399 -7.032 -4.587 1.00 0.00 N ATOM 913 CA ASP A 58 -12.760 -6.355 -5.852 1.00 0.00 C ATOM 914 C ASP A 58 -11.580 -6.211 -6.837 1.00 0.00 C ATOM 915 O ASP A 58 -11.698 -6.551 -8.014 1.00 0.00 O ATOM 916 CB ASP A 58 -13.493 -5.026 -5.581 1.00 0.00 C ATOM 917 CG ASP A 58 -13.668 -4.191 -6.861 1.00 0.00 C ATOM 918 OD1 ASP A 58 -14.697 -4.368 -7.555 1.00 0.00 O ATOM 919 OD2 ASP A 58 -12.783 -3.333 -7.092 1.00 0.00 O ATOM 0 H ASP A 58 -12.376 -6.412 -3.777 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.461 -7.010 -6.369 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.471 -5.234 -5.148 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.934 -4.448 -4.845 1.00 0.00 H new ATOM 924 N TYR A 59 -10.394 -5.889 -6.304 1.00 0.00 N ATOM 925 CA TYR A 59 -9.122 -6.022 -7.010 1.00 0.00 C ATOM 926 C TYR A 59 -8.671 -7.450 -7.371 1.00 0.00 C ATOM 927 O TYR A 59 -7.581 -7.638 -7.904 1.00 0.00 O ATOM 928 CB TYR A 59 -8.043 -5.169 -6.328 1.00 0.00 C ATOM 929 CG TYR A 59 -8.068 -3.685 -6.641 1.00 0.00 C ATOM 930 CD1 TYR A 59 -7.546 -3.226 -7.865 1.00 0.00 C ATOM 931 CD2 TYR A 59 -8.483 -2.759 -5.663 1.00 0.00 C ATOM 932 CE1 TYR A 59 -7.409 -1.846 -8.105 1.00 0.00 C ATOM 933 CE2 TYR A 59 -8.331 -1.377 -5.893 1.00 0.00 C ATOM 934 CZ TYR A 59 -7.780 -0.921 -7.106 1.00 0.00 C ATOM 935 OH TYR A 59 -7.549 0.406 -7.288 1.00 0.00 O ATOM 0 H TYR A 59 -10.295 -5.524 -5.357 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.302 -5.619 -8.007 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.138 -5.294 -5.249 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.066 -5.562 -6.609 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.249 -3.936 -8.623 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.917 -3.108 -4.738 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.021 -1.496 -9.050 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.637 -0.667 -5.139 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.681 0.530 -7.727 1.00 0.00 H new ATOM 945 N ASN A 60 -9.500 -8.458 -7.073 1.00 0.00 N ATOM 946 CA ASN A 60 -9.208 -9.894 -7.160 1.00 0.00 C ATOM 947 C ASN A 60 -8.056 -10.355 -6.240 1.00 0.00 C ATOM 948 O ASN A 60 -7.432 -11.385 -6.492 1.00 0.00 O ATOM 949 CB ASN A 60 -9.078 -10.361 -8.628 1.00 0.00 C ATOM 950 CG ASN A 60 -10.335 -10.152 -9.452 1.00 0.00 C ATOM 951 OD1 ASN A 60 -11.134 -11.055 -9.658 1.00 0.00 O ATOM 952 ND2 ASN A 60 -10.526 -8.977 -10.000 1.00 0.00 N ATOM 0 H ASN A 60 -10.450 -8.282 -6.745 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.076 -10.414 -6.755 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.254 -9.825 -9.098 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.818 -11.420 -8.641 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.339 -8.818 -10.596 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.862 -8.221 -9.831 1.00 0.00 H new ATOM 959 N ILE A 61 -7.765 -9.614 -5.162 1.00 0.00 N ATOM 960 CA ILE A 61 -6.694 -9.934 -4.207 1.00 0.00 C ATOM 961 C ILE A 61 -7.156 -11.076 -3.286 1.00 0.00 C ATOM 962 O ILE A 61 -7.808 -10.856 -2.264 1.00 0.00 O ATOM 963 CB ILE A 61 -6.224 -8.675 -3.432 1.00 0.00 C ATOM 964 CG1 ILE A 61 -5.945 -7.503 -4.402 1.00 0.00 C ATOM 965 CG2 ILE A 61 -4.974 -9.021 -2.601 1.00 0.00 C ATOM 966 CD1 ILE A 61 -5.437 -6.210 -3.758 1.00 0.00 C ATOM 0 H ILE A 61 -8.274 -8.763 -4.925 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.815 -10.281 -4.750 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.017 -8.355 -2.756 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.212 -7.832 -5.138 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.863 -7.279 -4.945 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.643 -8.137 -2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.216 -9.814 -1.893 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.177 -9.357 -3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.275 -5.458 -4.530 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.175 -5.844 -3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.498 -6.406 -3.240 1.00 0.00 H new ATOM 978 N GLN A 62 -6.846 -12.308 -3.693 1.00 0.00 N ATOM 979 CA GLN A 62 -7.153 -13.542 -2.961 1.00 0.00 C ATOM 980 C GLN A 62 -6.326 -13.685 -1.668 1.00 0.00 C ATOM 981 O GLN A 62 -5.354 -12.956 -1.443 1.00 0.00 O ATOM 982 CB GLN A 62 -6.911 -14.756 -3.880 1.00 0.00 C ATOM 983 CG GLN A 62 -7.757 -14.734 -5.167 1.00 0.00 C ATOM 984 CD GLN A 62 -7.605 -15.996 -6.017 1.00 0.00 C ATOM 985 OE1 GLN A 62 -7.236 -17.065 -5.559 1.00 0.00 O ATOM 986 NE2 GLN A 62 -7.898 -15.926 -7.298 1.00 0.00 N ATOM 0 H GLN A 62 -6.357 -12.482 -4.571 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.201 -13.497 -2.664 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.856 -14.792 -4.150 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.130 -15.669 -3.327 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.807 -14.609 -4.901 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.474 -13.867 -5.764 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.209 -15.043 -7.703 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.815 -16.755 -7.886 1.00 0.00 H new ATOM 995 N LYS A 63 -6.665 -14.677 -0.841 1.00 0.00 N ATOM 996 CA LYS A 63 -5.830 -15.101 0.289 1.00 0.00 C ATOM 997 C LYS A 63 -4.436 -15.561 -0.176 1.00 0.00 C ATOM 998 O LYS A 63 -4.251 -15.948 -1.330 1.00 0.00 O ATOM 999 CB LYS A 63 -6.576 -16.154 1.126 1.00 0.00 C ATOM 1000 CG LYS A 63 -6.931 -17.412 0.318 1.00 0.00 C ATOM 1001 CD LYS A 63 -7.240 -18.601 1.236 1.00 0.00 C ATOM 1002 CE LYS A 63 -7.390 -19.865 0.379 1.00 0.00 C ATOM 1003 NZ LYS A 63 -7.440 -21.077 1.231 1.00 0.00 N ATOM 0 H LYS A 63 -7.529 -15.211 -0.935 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.647 -14.246 0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.959 -16.437 1.979 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.490 -15.714 1.525 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.793 -17.207 -0.316 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.103 -17.667 -0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.440 -18.732 1.965 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.156 -18.416 1.798 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.299 -19.798 -0.219 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.555 -19.939 -0.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.542 -21.920 0.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.562 -21.149 1.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.252 -21.013 1.878 1.00 0.00 H new ATOM 1017 N GLU A 64 -3.440 -15.383 0.693 1.00 0.00 N ATOM 1018 CA GLU A 64 -2.008 -15.574 0.407 1.00 0.00 C ATOM 1019 C GLU A 64 -1.424 -14.697 -0.736 1.00 0.00 C ATOM 1020 O GLU A 64 -0.268 -14.885 -1.122 1.00 0.00 O ATOM 1021 CB GLU A 64 -1.653 -17.078 0.284 1.00 0.00 C ATOM 1022 CG GLU A 64 -1.833 -17.891 1.589 1.00 0.00 C ATOM 1023 CD GLU A 64 -3.174 -18.641 1.755 1.00 0.00 C ATOM 1024 OE1 GLU A 64 -4.079 -18.515 0.900 1.00 0.00 O ATOM 1025 OE2 GLU A 64 -3.282 -19.368 2.774 1.00 0.00 O ATOM 0 H GLU A 64 -3.610 -15.090 1.655 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.489 -15.184 1.283 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.274 -17.522 -0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.618 -17.168 -0.045 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.025 -18.620 1.651 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.715 -17.212 2.433 1.00 0.00 H new ATOM 1032 N SER A 65 -2.168 -13.703 -1.249 1.00 0.00 N ATOM 1033 CA SER A 65 -1.680 -12.809 -2.310 1.00 0.00 C ATOM 1034 C SER A 65 -0.395 -12.076 -1.936 1.00 0.00 C ATOM 1035 O SER A 65 -0.346 -11.403 -0.908 1.00 0.00 O ATOM 1036 CB SER A 65 -2.713 -11.749 -2.691 1.00 0.00 C ATOM 1037 OG SER A 65 -3.755 -12.319 -3.446 1.00 0.00 O ATOM 0 H SER A 65 -3.119 -13.498 -0.942 1.00 0.00 H new ATOM 0 HA SER A 65 -1.486 -13.473 -3.152 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.119 -11.290 -1.790 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.233 -10.956 -3.265 1.00 0.00 H new ATOM 0 HG SER A 65 -4.412 -12.725 -2.843 1.00 0.00 H new ATOM 1043 N THR A 66 0.591 -12.109 -2.835 1.00 0.00 N ATOM 1044 CA THR A 66 1.775 -11.245 -2.789 1.00 0.00 C ATOM 1045 C THR A 66 1.619 -10.019 -3.679 1.00 0.00 C ATOM 1046 O THR A 66 1.597 -10.108 -4.905 1.00 0.00 O ATOM 1047 CB THR A 66 3.071 -12.008 -3.090 1.00 0.00 C ATOM 1048 OG1 THR A 66 3.138 -13.174 -2.303 1.00 0.00 O ATOM 1049 CG2 THR A 66 4.325 -11.187 -2.800 1.00 0.00 C ATOM 0 H THR A 66 0.590 -12.748 -3.630 1.00 0.00 H new ATOM 0 HA THR A 66 1.857 -10.889 -1.762 1.00 0.00 H new ATOM 0 HB THR A 66 3.044 -12.242 -4.154 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.968 -13.656 -2.503 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.210 -11.780 -3.032 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.320 -10.286 -3.414 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.342 -10.908 -1.746 1.00 0.00 H new ATOM 1057 N LEU A 67 1.522 -8.851 -3.049 1.00 0.00 N ATOM 1058 CA LEU A 67 1.578 -7.529 -3.673 1.00 0.00 C ATOM 1059 C LEU A 67 3.042 -7.105 -3.873 1.00 0.00 C ATOM 1060 O LEU A 67 3.847 -7.330 -2.975 1.00 0.00 O ATOM 1061 CB LEU A 67 0.868 -6.514 -2.751 1.00 0.00 C ATOM 1062 CG LEU A 67 -0.645 -6.751 -2.551 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -1.006 -7.727 -1.426 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -1.306 -5.420 -2.192 1.00 0.00 C ATOM 0 H LEU A 67 1.396 -8.797 -2.038 1.00 0.00 H new ATOM 0 HA LEU A 67 1.084 -7.561 -4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.354 -6.532 -1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.012 -5.514 -3.160 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.993 -7.184 -3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.090 -7.827 -1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.563 -8.701 -1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.622 -7.348 -0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.376 -5.572 -2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.867 -5.032 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.147 -4.705 -2.999 1.00 0.00 H new ATOM 1076 N HIS A 68 3.397 -6.455 -4.984 1.00 0.00 N ATOM 1077 CA HIS A 68 4.641 -5.702 -5.077 1.00 0.00 C ATOM 1078 C HIS A 68 4.519 -4.391 -4.377 1.00 0.00 C ATOM 1079 O HIS A 68 3.455 -3.852 -4.073 1.00 0.00 O ATOM 1080 CB HIS A 68 5.114 -5.492 -6.523 1.00 0.00 C ATOM 1081 CG HIS A 68 5.975 -6.615 -7.064 1.00 0.00 C ATOM 1082 ND1 HIS A 68 5.558 -7.828 -7.589 1.00 0.00 N ATOM 1083 CD2 HIS A 68 7.336 -6.613 -7.109 1.00 0.00 C ATOM 1084 CE1 HIS A 68 6.666 -8.520 -7.933 1.00 0.00 C ATOM 1085 NE2 HIS A 68 7.784 -7.833 -7.648 1.00 0.00 N ATOM 0 H HIS A 68 2.834 -6.438 -5.834 1.00 0.00 H new ATOM 0 HA HIS A 68 5.401 -6.307 -4.582 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.241 -5.376 -7.166 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.676 -4.560 -6.578 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.971 -5.803 -6.783 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.654 -9.503 -8.381 1.00 0.00 H new ATOM 0 HE2 HIS A 68 8.749 -8.131 -7.791 1.00 0.00 H new ATOM 1093 N LEU A 69 5.695 -3.861 -4.182 1.00 0.00 N ATOM 1094 CA LEU A 69 5.837 -2.494 -3.922 1.00 0.00 C ATOM 1095 C LEU A 69 6.697 -1.739 -4.928 1.00 0.00 C ATOM 1096 O LEU A 69 7.601 -2.318 -5.521 1.00 0.00 O ATOM 1097 CB LEU A 69 6.473 -2.354 -2.559 1.00 0.00 C ATOM 1098 CG LEU A 69 6.628 -0.988 -1.882 1.00 0.00 C ATOM 1099 CD1 LEU A 69 5.264 -0.329 -1.732 1.00 0.00 C ATOM 1100 CD2 LEU A 69 7.257 -1.142 -0.487 1.00 0.00 C ATOM 0 H LEU A 69 6.571 -4.384 -4.203 1.00 0.00 H new ATOM 0 HA LEU A 69 4.841 -2.056 -3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.900 -2.982 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.471 -2.787 -2.629 1.00 0.00 H new ATOM 0 HG LEU A 69 7.277 -0.372 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.380 0.642 -1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.815 -0.194 -2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.619 -0.962 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.358 -0.161 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.619 -1.772 0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.240 -1.603 -0.580 1.00 0.00 H new ATOM 1112 N VAL A 70 6.489 -0.425 -5.013 1.00 0.00 N ATOM 1113 CA VAL A 70 7.570 0.487 -5.394 1.00 0.00 C ATOM 1114 C VAL A 70 7.832 1.577 -4.396 1.00 0.00 C ATOM 1115 O VAL A 70 7.017 1.887 -3.539 1.00 0.00 O ATOM 1116 CB VAL A 70 7.300 1.304 -6.689 1.00 0.00 C ATOM 1117 CG1 VAL A 70 8.047 0.622 -7.807 1.00 0.00 C ATOM 1118 CG2 VAL A 70 5.832 1.530 -7.046 1.00 0.00 C ATOM 0 H VAL A 70 5.595 0.028 -4.826 1.00 0.00 H new ATOM 0 HA VAL A 70 8.395 -0.217 -5.497 1.00 0.00 H new ATOM 0 HB VAL A 70 7.657 2.319 -6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.884 1.165 -8.738 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.112 0.608 -7.577 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.685 -0.401 -7.916 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.767 2.111 -7.966 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.340 0.568 -7.188 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.341 2.073 -6.239 1.00 0.00 H new ATOM 1128 N LEU A 71 8.940 2.265 -4.650 1.00 0.00 N ATOM 1129 CA LEU A 71 9.075 3.648 -4.271 1.00 0.00 C ATOM 1130 C LEU A 71 8.118 4.702 -4.846 1.00 0.00 C ATOM 1131 O LEU A 71 7.449 4.540 -5.866 1.00 0.00 O ATOM 1132 CB LEU A 71 10.497 4.159 -4.535 1.00 0.00 C ATOM 1133 CG LEU A 71 11.607 3.396 -3.778 1.00 0.00 C ATOM 1134 CD1 LEU A 71 12.972 3.793 -4.323 1.00 0.00 C ATOM 1135 CD2 LEU A 71 11.571 3.718 -2.287 1.00 0.00 C ATOM 0 H LEU A 71 9.757 1.875 -5.120 1.00 0.00 H new ATOM 0 HA LEU A 71 8.802 3.571 -3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.698 4.098 -5.605 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.547 5.213 -4.260 1.00 0.00 H new ATOM 0 HG LEU A 71 11.436 2.329 -3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.750 3.252 -3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.026 3.547 -5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.119 4.865 -4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.362 3.168 -1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.721 4.788 -2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.604 3.428 -1.875 1.00 0.00 H new