USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 610 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0251 X(o=-0.025,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.343 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.0907 X(o=-0.091,f=-0.5) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0.854 K(o=0.85,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 34 MET CE :methyl 174:sc= -0.16 (180deg=-0.251) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.91) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 87:sc= 0.801 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 122:sc= 0.259 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.953 9.893 -0.020 1.00 0.00 N ATOM 2 CA MET A 1 10.747 9.494 0.716 1.00 0.00 C ATOM 3 C MET A 1 11.104 8.570 1.871 1.00 0.00 C ATOM 4 O MET A 1 10.741 8.863 3.007 1.00 0.00 O ATOM 5 CB MET A 1 9.684 8.867 -0.193 1.00 0.00 C ATOM 6 CG MET A 1 8.314 8.992 0.477 1.00 0.00 C ATOM 7 SD MET A 1 7.863 10.707 0.866 1.00 0.00 S ATOM 8 CE MET A 1 6.746 10.419 2.260 1.00 0.00 C ATOM 0 H1 MET A 1 11.689 10.523 -0.804 1.00 0.00 H new ATOM 0 H2 MET A 1 12.602 10.392 0.621 1.00 0.00 H new ATOM 0 H3 MET A 1 12.424 9.047 -0.400 1.00 0.00 H new ATOM 0 HA MET A 1 10.305 10.402 1.125 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.676 9.367 -1.162 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.918 7.818 -0.377 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.556 8.563 -0.178 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.311 8.405 1.395 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.371 11.374 2.629 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.909 9.801 1.934 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.285 9.908 3.058 1.00 0.00 H new ATOM 18 N LYS A 2 11.817 7.468 1.601 1.00 0.00 N ATOM 19 CA LYS A 2 12.238 6.460 2.573 1.00 0.00 C ATOM 20 C LYS A 2 11.018 5.836 3.270 1.00 0.00 C ATOM 21 O LYS A 2 9.866 6.086 2.899 1.00 0.00 O ATOM 22 CB LYS A 2 13.329 7.039 3.516 1.00 0.00 C ATOM 23 CG LYS A 2 14.531 7.594 2.718 1.00 0.00 C ATOM 24 CD LYS A 2 15.596 8.308 3.559 1.00 0.00 C ATOM 25 CE LYS A 2 16.584 7.377 4.271 1.00 0.00 C ATOM 26 NZ LYS A 2 17.825 8.107 4.630 1.00 0.00 N ATOM 0 H LYS A 2 12.128 7.249 0.655 1.00 0.00 H new ATOM 0 HA LYS A 2 12.722 5.623 2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.899 7.833 4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 2 13.672 6.261 4.198 1.00 0.00 H new ATOM 0 HG2 LYS A 2 15.004 6.770 2.184 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.158 8.289 1.966 1.00 0.00 H new ATOM 0 HD2 LYS A 2 16.156 8.983 2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 2 15.096 8.924 4.306 1.00 0.00 H new ATOM 0 HE2 LYS A 2 16.123 6.968 5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 2 16.826 6.533 3.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 18.482 7.460 5.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 18.273 8.476 3.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.592 8.898 5.264 1.00 0.00 H new ATOM 40 N ALA A 3 11.267 4.929 4.209 1.00 0.00 N ATOM 41 CA ALA A 3 10.272 4.345 5.077 1.00 0.00 C ATOM 42 C ALA A 3 10.689 4.664 6.500 1.00 0.00 C ATOM 43 O ALA A 3 10.136 5.554 7.124 1.00 0.00 O ATOM 44 CB ALA A 3 10.152 2.843 4.798 1.00 0.00 C ATOM 0 H ALA A 3 12.206 4.572 4.386 1.00 0.00 H new ATOM 0 HA ALA A 3 9.277 4.755 4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.399 2.410 5.457 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.858 2.688 3.760 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.113 2.361 4.979 1.00 0.00 H new ATOM 50 N SER A 4 11.655 3.909 7.006 1.00 0.00 N ATOM 51 CA SER A 4 11.966 3.655 8.401 1.00 0.00 C ATOM 52 C SER A 4 10.820 2.866 9.012 1.00 0.00 C ATOM 53 O SER A 4 10.979 1.701 9.344 1.00 0.00 O ATOM 54 CB SER A 4 12.291 4.944 9.173 1.00 0.00 C ATOM 55 OG SER A 4 12.886 5.915 8.326 1.00 0.00 O ATOM 0 H SER A 4 12.299 3.414 6.390 1.00 0.00 H new ATOM 0 HA SER A 4 12.877 3.060 8.469 1.00 0.00 H new ATOM 0 HB2 SER A 4 11.378 5.349 9.610 1.00 0.00 H new ATOM 0 HB3 SER A 4 12.965 4.716 9.999 1.00 0.00 H new ATOM 0 HG SER A 4 13.080 6.725 8.843 1.00 0.00 H new ATOM 61 N GLU A 5 9.636 3.451 9.006 1.00 0.00 N ATOM 62 CA GLU A 5 8.461 2.903 9.672 1.00 0.00 C ATOM 63 C GLU A 5 7.951 1.677 8.923 1.00 0.00 C ATOM 64 O GLU A 5 7.716 0.619 9.490 1.00 0.00 O ATOM 65 CB GLU A 5 7.384 3.982 9.856 1.00 0.00 C ATOM 66 CG GLU A 5 6.988 4.765 8.600 1.00 0.00 C ATOM 67 CD GLU A 5 5.937 5.825 8.918 1.00 0.00 C ATOM 68 OE1 GLU A 5 6.218 6.765 9.707 1.00 0.00 O ATOM 69 OE2 GLU A 5 4.815 5.702 8.388 1.00 0.00 O ATOM 0 H GLU A 5 9.457 4.336 8.531 1.00 0.00 H new ATOM 0 HA GLU A 5 8.739 2.572 10.673 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.490 3.508 10.260 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.735 4.692 10.605 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.870 5.241 8.172 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.600 4.078 7.848 1.00 0.00 H new ATOM 76 N LEU A 6 7.837 1.783 7.605 1.00 0.00 N ATOM 77 CA LEU A 6 7.299 0.712 6.775 1.00 0.00 C ATOM 78 C LEU A 6 8.281 -0.436 6.567 1.00 0.00 C ATOM 79 O LEU A 6 7.885 -1.471 6.048 1.00 0.00 O ATOM 80 CB LEU A 6 6.902 1.315 5.430 1.00 0.00 C ATOM 81 CG LEU A 6 5.537 2.023 5.487 1.00 0.00 C ATOM 82 CD1 LEU A 6 5.491 3.078 4.373 1.00 0.00 C ATOM 83 CD2 LEU A 6 4.397 1.005 5.407 1.00 0.00 C ATOM 0 H LEU A 6 8.115 2.613 7.081 1.00 0.00 H new ATOM 0 HA LEU A 6 6.439 0.281 7.287 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.665 2.027 5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.869 0.528 4.677 1.00 0.00 H new ATOM 0 HG LEU A 6 5.406 2.535 6.440 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.530 3.591 4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.292 3.801 4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.618 2.592 3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.440 1.526 5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.468 0.452 4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.469 0.311 6.245 1.00 0.00 H new ATOM 95 N ARG A 7 9.552 -0.263 6.929 1.00 0.00 N ATOM 96 CA ARG A 7 10.525 -1.327 7.054 1.00 0.00 C ATOM 97 C ARG A 7 10.802 -1.741 8.505 1.00 0.00 C ATOM 98 O ARG A 7 11.562 -2.677 8.723 1.00 0.00 O ATOM 99 CB ARG A 7 11.779 -0.898 6.299 1.00 0.00 C ATOM 100 CG ARG A 7 12.664 0.229 6.849 1.00 0.00 C ATOM 101 CD ARG A 7 13.500 -0.157 8.080 1.00 0.00 C ATOM 102 NE ARG A 7 14.770 0.586 8.102 1.00 0.00 N ATOM 103 CZ ARG A 7 15.942 0.114 8.539 1.00 0.00 C ATOM 104 NH1 ARG A 7 16.009 -1.012 9.240 1.00 0.00 N ATOM 105 NH2 ARG A 7 17.050 0.785 8.245 1.00 0.00 N ATOM 0 H ARG A 7 9.937 0.656 7.149 1.00 0.00 H new ATOM 0 HA ARG A 7 10.122 -2.237 6.610 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.409 -1.781 6.192 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.468 -0.605 5.296 1.00 0.00 H new ATOM 0 HG2 ARG A 7 13.337 0.563 6.059 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.030 1.077 7.108 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.935 0.052 8.989 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.700 -1.228 8.068 1.00 0.00 H new ATOM 0 HE ARG A 7 14.755 1.545 7.754 1.00 0.00 H new ATOM 0 HH11 ARG A 7 15.157 -1.532 9.453 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.912 -1.357 9.565 1.00 0.00 H new ATOM 0 HH21 ARG A 7 16.996 1.643 7.696 1.00 0.00 H new ATOM 0 HH22 ARG A 7 17.955 0.442 8.569 1.00 0.00 H new ATOM 119 N ASN A 8 10.224 -1.033 9.475 1.00 0.00 N ATOM 120 CA ASN A 8 10.372 -1.316 10.911 1.00 0.00 C ATOM 121 C ASN A 8 9.737 -2.652 11.256 1.00 0.00 C ATOM 122 O ASN A 8 10.294 -3.398 12.064 1.00 0.00 O ATOM 123 CB ASN A 8 9.696 -0.250 11.801 1.00 0.00 C ATOM 124 CG ASN A 8 9.710 -0.645 13.277 1.00 0.00 C ATOM 125 OD1 ASN A 8 10.710 -0.436 13.955 1.00 0.00 O ATOM 126 ND2 ASN A 8 8.636 -1.210 13.806 1.00 0.00 N ATOM 0 H ASN A 8 9.626 -0.229 9.285 1.00 0.00 H new ATOM 0 HA ASN A 8 11.445 -1.319 11.105 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.208 0.704 11.676 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.666 -0.105 11.474 1.00 0.00 H new ATOM 0 HD21 ASN A 8 8.633 -1.478 14.790 1.00 0.00 H new ATOM 0 HD22 ASN A 8 7.811 -1.378 13.229 1.00 0.00 H new ATOM 133 N TYR A 9 8.548 -2.882 10.691 1.00 0.00 N ATOM 134 CA TYR A 9 7.590 -3.859 11.139 1.00 0.00 C ATOM 135 C TYR A 9 8.169 -5.279 11.169 1.00 0.00 C ATOM 136 O TYR A 9 9.156 -5.551 10.482 1.00 0.00 O ATOM 137 CB TYR A 9 6.299 -3.672 10.330 1.00 0.00 C ATOM 138 CG TYR A 9 5.536 -2.400 10.620 1.00 0.00 C ATOM 139 CD1 TYR A 9 5.006 -2.173 11.899 1.00 0.00 C ATOM 140 CD2 TYR A 9 5.336 -1.458 9.595 1.00 0.00 C ATOM 141 CE1 TYR A 9 4.279 -1.000 12.161 1.00 0.00 C ATOM 142 CE2 TYR A 9 4.610 -0.279 9.848 1.00 0.00 C ATOM 143 CZ TYR A 9 4.075 -0.047 11.136 1.00 0.00 C ATOM 144 OH TYR A 9 3.364 1.087 11.400 1.00 0.00 O ATOM 0 H TYR A 9 8.227 -2.362 9.874 1.00 0.00 H new ATOM 0 HA TYR A 9 7.332 -3.699 12.186 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.548 -3.694 9.269 1.00 0.00 H new ATOM 0 HB3 TYR A 9 5.643 -4.522 10.521 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.157 -2.901 12.683 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.741 -1.640 8.610 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.875 -0.825 13.147 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.462 0.446 9.061 1.00 0.00 H new ATOM 0 HH TYR A 9 3.315 1.638 10.591 1.00 0.00 H new ATOM 154 N THR A 10 7.606 -6.187 11.964 1.00 0.00 N ATOM 155 CA THR A 10 8.001 -7.588 11.902 1.00 0.00 C ATOM 156 C THR A 10 7.630 -8.169 10.546 1.00 0.00 C ATOM 157 O THR A 10 6.742 -7.642 9.891 1.00 0.00 O ATOM 158 CB THR A 10 7.298 -8.426 12.965 1.00 0.00 C ATOM 159 OG1 THR A 10 5.893 -8.335 12.862 1.00 0.00 O ATOM 160 CG2 THR A 10 7.717 -8.047 14.383 1.00 0.00 C ATOM 0 H THR A 10 6.882 -5.978 12.652 1.00 0.00 H new ATOM 0 HA THR A 10 9.078 -7.621 12.070 1.00 0.00 H new ATOM 0 HB THR A 10 7.608 -9.454 12.775 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.478 -8.886 13.558 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.186 -8.674 15.099 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.791 -8.195 14.497 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.473 -7.001 14.567 1.00 0.00 H new ATOM 168 N ASP A 11 8.227 -9.296 10.149 1.00 0.00 N ATOM 169 CA ASP A 11 7.941 -9.962 8.870 1.00 0.00 C ATOM 170 C ASP A 11 6.442 -10.118 8.596 1.00 0.00 C ATOM 171 O ASP A 11 6.024 -10.083 7.439 1.00 0.00 O ATOM 172 CB ASP A 11 8.610 -11.332 8.847 1.00 0.00 C ATOM 173 CG ASP A 11 9.548 -11.525 7.655 1.00 0.00 C ATOM 174 OD1 ASP A 11 10.555 -10.781 7.537 1.00 0.00 O ATOM 175 OD2 ASP A 11 9.258 -12.374 6.784 1.00 0.00 O ATOM 0 H ASP A 11 8.929 -9.778 10.710 1.00 0.00 H new ATOM 0 HA ASP A 11 8.343 -9.325 8.083 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.173 -11.470 9.770 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.841 -12.104 8.825 1.00 0.00 H new ATOM 180 N GLU A 12 5.650 -10.304 9.653 1.00 0.00 N ATOM 181 CA GLU A 12 4.213 -10.480 9.588 1.00 0.00 C ATOM 182 C GLU A 12 3.495 -9.133 9.652 1.00 0.00 C ATOM 183 O GLU A 12 2.627 -8.896 8.816 1.00 0.00 O ATOM 184 CB GLU A 12 3.798 -11.463 10.686 1.00 0.00 C ATOM 185 CG GLU A 12 4.220 -12.873 10.228 1.00 0.00 C ATOM 186 CD GLU A 12 4.220 -13.931 11.328 1.00 0.00 C ATOM 187 OE1 GLU A 12 4.724 -13.634 12.442 1.00 0.00 O ATOM 188 OE2 GLU A 12 3.858 -15.092 11.038 1.00 0.00 O ATOM 0 H GLU A 12 6.011 -10.336 10.606 1.00 0.00 H new ATOM 0 HA GLU A 12 3.915 -10.910 8.632 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.277 -11.207 11.631 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.722 -11.420 10.853 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.549 -13.197 9.432 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.220 -12.816 9.799 1.00 0.00 H new ATOM 195 N GLU A 13 3.902 -8.205 10.527 1.00 0.00 N ATOM 196 CA GLU A 13 3.303 -6.871 10.536 1.00 0.00 C ATOM 197 C GLU A 13 3.553 -6.124 9.221 1.00 0.00 C ATOM 198 O GLU A 13 2.727 -5.304 8.832 1.00 0.00 O ATOM 199 CB GLU A 13 3.855 -6.008 11.676 1.00 0.00 C ATOM 200 CG GLU A 13 3.206 -6.205 13.043 1.00 0.00 C ATOM 201 CD GLU A 13 3.302 -4.895 13.824 1.00 0.00 C ATOM 202 OE1 GLU A 13 2.377 -4.057 13.701 1.00 0.00 O ATOM 203 OE2 GLU A 13 4.326 -4.646 14.504 1.00 0.00 O ATOM 0 H GLU A 13 4.631 -8.352 11.225 1.00 0.00 H new ATOM 0 HA GLU A 13 2.233 -7.029 10.674 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.922 -6.207 11.771 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.750 -4.960 11.395 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.163 -6.500 12.927 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.706 -7.007 13.587 1.00 0.00 H new ATOM 210 N LEU A 14 4.690 -6.371 8.558 1.00 0.00 N ATOM 211 CA LEU A 14 5.048 -5.798 7.271 1.00 0.00 C ATOM 212 C LEU A 14 4.005 -6.239 6.268 1.00 0.00 C ATOM 213 O LEU A 14 3.227 -5.407 5.813 1.00 0.00 O ATOM 214 CB LEU A 14 6.468 -6.229 6.826 1.00 0.00 C ATOM 215 CG LEU A 14 7.604 -5.695 7.717 1.00 0.00 C ATOM 216 CD1 LEU A 14 8.829 -6.612 7.692 1.00 0.00 C ATOM 217 CD2 LEU A 14 8.042 -4.266 7.408 1.00 0.00 C ATOM 0 H LEU A 14 5.406 -6.999 8.923 1.00 0.00 H new ATOM 0 HA LEU A 14 5.070 -4.711 7.344 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.516 -7.318 6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.634 -5.889 5.804 1.00 0.00 H new ATOM 0 HG LEU A 14 7.167 -5.683 8.715 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.607 -6.198 8.334 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.550 -7.602 8.053 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.204 -6.690 6.672 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.845 -3.977 8.086 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.397 -4.209 6.379 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.197 -3.590 7.538 1.00 0.00 H new ATOM 229 N LYS A 15 3.964 -7.527 5.914 1.00 0.00 N ATOM 230 CA LYS A 15 3.050 -8.035 4.911 1.00 0.00 C ATOM 231 C LYS A 15 1.645 -7.613 5.253 1.00 0.00 C ATOM 232 O LYS A 15 1.010 -7.067 4.370 1.00 0.00 O ATOM 233 CB LYS A 15 3.171 -9.548 4.689 1.00 0.00 C ATOM 234 CG LYS A 15 3.141 -10.446 5.942 1.00 0.00 C ATOM 235 CD LYS A 15 1.741 -10.958 6.334 1.00 0.00 C ATOM 236 CE LYS A 15 1.506 -12.393 5.850 1.00 0.00 C ATOM 237 NZ LYS A 15 2.111 -13.394 6.756 1.00 0.00 N ATOM 0 H LYS A 15 4.569 -8.240 6.321 1.00 0.00 H new ATOM 0 HA LYS A 15 3.326 -7.595 3.953 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.360 -9.859 4.030 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.104 -9.739 4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.793 -11.303 5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.558 -9.889 6.781 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.629 -10.916 7.417 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.981 -10.302 5.909 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.435 -12.577 5.771 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.924 -12.511 4.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.927 -14.350 6.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.137 -13.236 6.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.694 -13.301 7.704 1.00 0.00 H new ATOM 251 N ASN A 16 1.220 -7.712 6.507 1.00 0.00 N ATOM 252 CA ASN A 16 -0.142 -7.399 6.920 1.00 0.00 C ATOM 253 C ASN A 16 -0.476 -5.901 6.828 1.00 0.00 C ATOM 254 O ASN A 16 -1.619 -5.487 7.017 1.00 0.00 O ATOM 255 CB ASN A 16 -0.323 -7.912 8.353 1.00 0.00 C ATOM 256 CG ASN A 16 -1.757 -7.808 8.850 1.00 0.00 C ATOM 257 OD1 ASN A 16 -2.715 -7.957 8.095 1.00 0.00 O ATOM 258 ND2 ASN A 16 -1.974 -7.580 10.132 1.00 0.00 N ATOM 0 H ASN A 16 1.819 -8.016 7.275 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.835 -7.890 6.236 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.003 -8.953 8.403 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.328 -7.346 9.020 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.929 -7.529 10.486 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.187 -7.455 10.768 1.00 0.00 H new ATOM 265 N LEU A 17 0.504 -5.065 6.493 1.00 0.00 N ATOM 266 CA LEU A 17 0.308 -3.655 6.172 1.00 0.00 C ATOM 267 C LEU A 17 0.386 -3.467 4.671 1.00 0.00 C ATOM 268 O LEU A 17 -0.404 -2.722 4.089 1.00 0.00 O ATOM 269 CB LEU A 17 1.381 -2.803 6.880 1.00 0.00 C ATOM 270 CG LEU A 17 0.851 -1.930 8.021 1.00 0.00 C ATOM 271 CD1 LEU A 17 0.087 -0.730 7.446 1.00 0.00 C ATOM 272 CD2 LEU A 17 0.001 -2.716 9.028 1.00 0.00 C ATOM 0 H LEU A 17 1.480 -5.357 6.436 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.674 -3.332 6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.151 -3.466 7.275 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.862 -2.161 6.142 1.00 0.00 H new ATOM 0 HG LEU A 17 1.709 -1.565 8.585 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.288 -0.112 8.262 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.756 -0.138 6.821 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.751 -1.086 6.846 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.346 -2.045 9.813 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.858 -3.152 8.517 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.602 -3.511 9.470 1.00 0.00 H new ATOM 284 N LEU A 18 1.362 -4.113 4.032 1.00 0.00 N ATOM 285 CA LEU A 18 1.667 -3.802 2.641 1.00 0.00 C ATOM 286 C LEU A 18 0.658 -4.478 1.740 1.00 0.00 C ATOM 287 O LEU A 18 0.279 -3.919 0.707 1.00 0.00 O ATOM 288 CB LEU A 18 3.129 -4.115 2.236 1.00 0.00 C ATOM 289 CG LEU A 18 4.244 -3.940 3.300 1.00 0.00 C ATOM 290 CD1 LEU A 18 5.662 -3.892 2.731 1.00 0.00 C ATOM 291 CD2 LEU A 18 4.085 -2.774 4.292 1.00 0.00 C ATOM 0 H LEU A 18 1.943 -4.841 4.448 1.00 0.00 H new ATOM 0 HA LEU A 18 1.583 -2.722 2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.163 -5.147 1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.380 -3.482 1.385 1.00 0.00 H new ATOM 0 HG LEU A 18 4.100 -4.862 3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.377 -3.768 3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.873 -4.821 2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.749 -3.053 2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.930 -2.764 4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.052 -1.832 3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.160 -2.899 4.855 1.00 0.00 H new ATOM 303 N GLU A 19 0.191 -5.642 2.183 1.00 0.00 N ATOM 304 CA GLU A 19 -0.995 -6.288 1.663 1.00 0.00 C ATOM 305 C GLU A 19 -2.227 -5.389 1.801 1.00 0.00 C ATOM 306 O GLU A 19 -3.000 -5.297 0.851 1.00 0.00 O ATOM 307 CB GLU A 19 -1.169 -7.661 2.324 1.00 0.00 C ATOM 308 CG GLU A 19 -1.923 -7.696 3.655 1.00 0.00 C ATOM 309 CD GLU A 19 -1.973 -9.157 4.119 1.00 0.00 C ATOM 310 OE1 GLU A 19 -0.900 -9.783 4.285 1.00 0.00 O ATOM 311 OE2 GLU A 19 -3.070 -9.761 4.072 1.00 0.00 O ATOM 0 H GLU A 19 0.642 -6.169 2.931 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.875 -6.456 0.593 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.689 -8.312 1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.179 -8.089 2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.420 -7.075 4.397 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.930 -7.297 3.535 1.00 0.00 H new ATOM 318 N GLU A 20 -2.411 -4.719 2.946 1.00 0.00 N ATOM 319 CA GLU A 20 -3.626 -3.965 3.231 1.00 0.00 C ATOM 320 C GLU A 20 -3.722 -2.765 2.289 1.00 0.00 C ATOM 321 O GLU A 20 -4.706 -2.607 1.580 1.00 0.00 O ATOM 322 CB GLU A 20 -3.733 -3.587 4.717 1.00 0.00 C ATOM 323 CG GLU A 20 -5.099 -2.968 5.070 1.00 0.00 C ATOM 324 CD GLU A 20 -6.292 -3.832 4.625 1.00 0.00 C ATOM 325 OE1 GLU A 20 -6.555 -4.893 5.234 1.00 0.00 O ATOM 326 OE2 GLU A 20 -6.956 -3.483 3.630 1.00 0.00 O ATOM 0 H GLU A 20 -1.720 -4.688 3.696 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.491 -4.599 3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.571 -4.475 5.327 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.942 -2.880 4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.153 -2.814 6.148 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.177 -1.986 4.604 1.00 0.00 H new ATOM 333 N LYS A 21 -2.665 -1.960 2.158 1.00 0.00 N ATOM 334 CA LYS A 21 -2.576 -0.882 1.203 1.00 0.00 C ATOM 335 C LYS A 21 -2.864 -1.456 -0.184 1.00 0.00 C ATOM 336 O LYS A 21 -3.819 -1.026 -0.835 1.00 0.00 O ATOM 337 CB LYS A 21 -1.193 -0.221 1.377 1.00 0.00 C ATOM 338 CG LYS A 21 -0.980 0.403 2.771 1.00 0.00 C ATOM 339 CD LYS A 21 -1.873 1.591 3.159 1.00 0.00 C ATOM 340 CE LYS A 21 -1.117 2.900 2.913 1.00 0.00 C ATOM 341 NZ LYS A 21 -1.693 4.022 3.686 1.00 0.00 N ATOM 0 H LYS A 21 -1.830 -2.053 2.736 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.312 -0.092 1.354 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.418 -0.967 1.199 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.071 0.553 0.619 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.120 -0.381 3.516 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.059 0.726 2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.793 1.574 2.574 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.161 1.516 4.208 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.069 2.771 3.185 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.143 3.140 1.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.154 4.890 3.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.685 4.162 3.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.645 3.804 4.702 1.00 0.00 H new ATOM 355 N LYS A 22 -2.036 -2.377 -0.695 1.00 0.00 N ATOM 356 CA LYS A 22 -2.236 -2.868 -2.065 1.00 0.00 C ATOM 357 C LYS A 22 -3.669 -3.389 -2.315 1.00 0.00 C ATOM 358 O LYS A 22 -4.183 -3.111 -3.402 1.00 0.00 O ATOM 359 CB LYS A 22 -1.111 -3.807 -2.522 1.00 0.00 C ATOM 360 CG LYS A 22 -1.083 -5.236 -1.981 1.00 0.00 C ATOM 361 CD LYS A 22 -1.975 -6.231 -2.742 1.00 0.00 C ATOM 362 CE LYS A 22 -1.308 -7.612 -2.716 1.00 0.00 C ATOM 363 NZ LYS A 22 -1.730 -8.472 -3.836 1.00 0.00 N ATOM 0 H LYS A 22 -1.245 -2.787 -0.199 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.154 -2.007 -2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.151 -3.866 -3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.162 -3.337 -2.263 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.055 -5.599 -2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.391 -5.220 -0.935 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.963 -6.280 -2.283 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.118 -5.900 -3.771 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.226 -7.488 -2.747 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.545 -8.107 -1.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.249 -9.391 -3.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.759 -8.616 -3.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.480 -8.016 -4.737 1.00 0.00 H new ATOM 377 N ARG A 23 -4.341 -4.062 -1.360 1.00 0.00 N ATOM 378 CA ARG A 23 -5.749 -4.449 -1.539 1.00 0.00 C ATOM 379 C ARG A 23 -6.675 -3.248 -1.491 1.00 0.00 C ATOM 380 O ARG A 23 -7.540 -3.164 -2.356 1.00 0.00 O ATOM 381 CB ARG A 23 -6.243 -5.532 -0.560 1.00 0.00 C ATOM 382 CG ARG A 23 -6.367 -5.137 0.917 1.00 0.00 C ATOM 383 CD ARG A 23 -6.821 -6.272 1.834 1.00 0.00 C ATOM 384 NE ARG A 23 -8.261 -6.558 1.729 1.00 0.00 N ATOM 385 CZ ARG A 23 -8.898 -7.486 2.455 1.00 0.00 C ATOM 386 NH1 ARG A 23 -8.227 -8.233 3.330 1.00 0.00 N ATOM 387 NH2 ARG A 23 -10.197 -7.671 2.282 1.00 0.00 N ATOM 0 H ARG A 23 -3.935 -4.345 -0.468 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.782 -4.893 -2.534 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.220 -5.876 -0.901 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.565 -6.383 -0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.402 -4.768 1.265 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.074 -4.311 1.002 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.259 -7.174 1.592 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.582 -6.015 2.866 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.808 -6.015 1.061 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.223 -8.100 3.450 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.717 -8.938 3.880 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.706 -7.109 1.600 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.689 -8.376 2.831 1.00 0.00 H new ATOM 401 N GLN A 24 -6.520 -2.347 -0.520 1.00 0.00 N ATOM 402 CA GLN A 24 -7.348 -1.180 -0.290 1.00 0.00 C ATOM 403 C GLN A 24 -7.491 -0.392 -1.573 1.00 0.00 C ATOM 404 O GLN A 24 -8.601 -0.054 -1.946 1.00 0.00 O ATOM 405 CB GLN A 24 -6.743 -0.281 0.790 1.00 0.00 C ATOM 406 CG GLN A 24 -7.221 -0.634 2.201 1.00 0.00 C ATOM 407 CD GLN A 24 -7.856 0.535 2.949 1.00 0.00 C ATOM 408 OE1 GLN A 24 -7.169 1.378 3.529 1.00 0.00 O ATOM 409 NE2 GLN A 24 -9.175 0.627 2.945 1.00 0.00 N ATOM 0 H GLN A 24 -5.766 -2.424 0.163 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.327 -1.520 0.048 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.656 -0.357 0.751 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.998 0.757 0.575 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.944 -1.447 2.136 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.374 -1.005 2.779 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.734 -0.076 2.462 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.634 1.401 3.425 1.00 0.00 H new ATOM 418 N LEU A 25 -6.401 -0.132 -2.296 1.00 0.00 N ATOM 419 CA LEU A 25 -6.479 0.519 -3.601 1.00 0.00 C ATOM 420 C LEU A 25 -7.546 -0.134 -4.485 1.00 0.00 C ATOM 421 O LEU A 25 -8.413 0.540 -5.046 1.00 0.00 O ATOM 422 CB LEU A 25 -5.103 0.442 -4.271 1.00 0.00 C ATOM 423 CG LEU A 25 -5.131 0.768 -5.774 1.00 0.00 C ATOM 424 CD1 LEU A 25 -5.565 2.223 -5.940 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.757 0.544 -6.407 1.00 0.00 C ATOM 0 H LEU A 25 -5.453 -0.363 -1.998 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.767 1.561 -3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.425 1.133 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.696 -0.560 -4.132 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.835 0.107 -6.280 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.592 2.476 -7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.557 2.358 -5.510 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.856 2.875 -5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.803 0.781 -7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.024 1.189 -5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.464 -0.498 -6.280 1.00 0.00 H new ATOM 437 N MET A 26 -7.425 -1.446 -4.658 1.00 0.00 N ATOM 438 CA MET A 26 -8.344 -2.216 -5.485 1.00 0.00 C ATOM 439 C MET A 26 -9.745 -2.361 -4.863 1.00 0.00 C ATOM 440 O MET A 26 -10.707 -2.609 -5.590 1.00 0.00 O ATOM 441 CB MET A 26 -7.724 -3.583 -5.787 1.00 0.00 C ATOM 442 CG MET A 26 -6.400 -3.420 -6.543 1.00 0.00 C ATOM 443 SD MET A 26 -5.742 -4.943 -7.256 1.00 0.00 S ATOM 444 CE MET A 26 -4.364 -4.250 -8.202 1.00 0.00 C ATOM 0 H MET A 26 -6.687 -2.004 -4.229 1.00 0.00 H new ATOM 0 HA MET A 26 -8.495 -1.666 -6.414 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.553 -4.125 -4.857 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.417 -4.179 -6.381 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.542 -2.693 -7.343 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.658 -3.004 -5.862 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.835 -5.053 -8.716 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.747 -3.540 -8.935 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.679 -3.739 -7.526 1.00 0.00 H new ATOM 454 N GLU A 27 -9.904 -2.216 -3.553 1.00 0.00 N ATOM 455 CA GLU A 27 -11.159 -2.386 -2.825 1.00 0.00 C ATOM 456 C GLU A 27 -11.929 -1.072 -2.886 1.00 0.00 C ATOM 457 O GLU A 27 -13.134 -1.049 -3.089 1.00 0.00 O ATOM 458 CB GLU A 27 -10.822 -2.843 -1.388 1.00 0.00 C ATOM 459 CG GLU A 27 -11.575 -2.127 -0.258 1.00 0.00 C ATOM 460 CD GLU A 27 -11.003 -2.425 1.130 1.00 0.00 C ATOM 461 OE1 GLU A 27 -10.670 -3.600 1.373 1.00 0.00 O ATOM 462 OE2 GLU A 27 -10.906 -1.464 1.943 1.00 0.00 O ATOM 0 H GLU A 27 -9.128 -1.966 -2.940 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.800 -3.151 -3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.024 -3.911 -1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.752 -2.708 -1.227 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.544 -1.052 -0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.623 -2.424 -0.283 1.00 0.00 H new ATOM 469 N LEU A 28 -11.223 0.045 -2.774 1.00 0.00 N ATOM 470 CA LEU A 28 -11.778 1.373 -2.853 1.00 0.00 C ATOM 471 C LEU A 28 -12.373 1.548 -4.244 1.00 0.00 C ATOM 472 O LEU A 28 -13.547 1.886 -4.381 1.00 0.00 O ATOM 473 CB LEU A 28 -10.681 2.390 -2.501 1.00 0.00 C ATOM 474 CG LEU A 28 -10.540 2.770 -1.006 1.00 0.00 C ATOM 475 CD1 LEU A 28 -10.686 1.630 0.003 1.00 0.00 C ATOM 476 CD2 LEU A 28 -9.157 3.378 -0.760 1.00 0.00 C ATOM 0 H LEU A 28 -10.215 0.042 -2.621 1.00 0.00 H new ATOM 0 HA LEU A 28 -12.583 1.537 -2.137 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.726 1.992 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.868 3.302 -3.068 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.370 3.457 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.567 2.021 1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.673 1.179 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.922 0.876 -0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.059 3.645 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.388 2.652 -1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.038 4.271 -1.374 1.00 0.00 H new ATOM 488 N ARG A 29 -11.625 1.240 -5.306 1.00 0.00 N ATOM 489 CA ARG A 29 -12.202 1.305 -6.656 1.00 0.00 C ATOM 490 C ARG A 29 -13.410 0.375 -6.823 1.00 0.00 C ATOM 491 O ARG A 29 -14.300 0.678 -7.613 1.00 0.00 O ATOM 492 CB ARG A 29 -11.178 1.102 -7.777 1.00 0.00 C ATOM 493 CG ARG A 29 -10.593 -0.304 -7.881 1.00 0.00 C ATOM 494 CD ARG A 29 -9.742 -0.466 -9.155 1.00 0.00 C ATOM 495 NE ARG A 29 -9.815 -1.840 -9.685 1.00 0.00 N ATOM 496 CZ ARG A 29 -10.390 -2.283 -10.816 1.00 0.00 C ATOM 497 NH1 ARG A 29 -10.906 -1.465 -11.736 1.00 0.00 N ATOM 498 NH2 ARG A 29 -10.438 -3.594 -11.002 1.00 0.00 N ATOM 0 H ARG A 29 -10.648 0.951 -5.265 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.560 2.330 -6.758 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.650 1.352 -8.727 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.360 1.808 -7.632 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.980 -0.511 -7.004 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.400 -1.036 -7.885 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.085 0.236 -9.914 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.704 -0.215 -8.935 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.366 -2.555 -9.113 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.874 -0.455 -11.596 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.332 -1.850 -12.579 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.047 -4.223 -10.301 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.866 -3.974 -11.847 1.00 0.00 H new ATOM 512 N PHE A 30 -13.465 -0.723 -6.073 1.00 0.00 N ATOM 513 CA PHE A 30 -14.599 -1.629 -6.043 1.00 0.00 C ATOM 514 C PHE A 30 -15.775 -1.035 -5.248 1.00 0.00 C ATOM 515 O PHE A 30 -16.923 -1.335 -5.568 1.00 0.00 O ATOM 516 CB PHE A 30 -14.119 -2.982 -5.487 1.00 0.00 C ATOM 517 CG PHE A 30 -15.187 -4.024 -5.225 1.00 0.00 C ATOM 518 CD1 PHE A 30 -16.103 -4.387 -6.233 1.00 0.00 C ATOM 519 CD2 PHE A 30 -15.259 -4.642 -3.960 1.00 0.00 C ATOM 520 CE1 PHE A 30 -17.073 -5.372 -5.981 1.00 0.00 C ATOM 521 CE2 PHE A 30 -16.234 -5.620 -3.708 1.00 0.00 C ATOM 522 CZ PHE A 30 -17.130 -5.993 -4.724 1.00 0.00 C ATOM 0 H PHE A 30 -12.704 -1.009 -5.458 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.985 -1.783 -7.051 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.398 -3.402 -6.188 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.587 -2.798 -4.554 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -16.059 -3.908 -7.200 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.563 -4.362 -3.183 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -17.774 -5.651 -6.754 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -16.295 -6.085 -2.735 1.00 0.00 H new ATOM 0 HZ PHE A 30 -17.866 -6.761 -4.537 1.00 0.00 H new ATOM 532 N GLN A 31 -15.572 -0.125 -4.285 1.00 0.00 N ATOM 533 CA GLN A 31 -16.654 0.512 -3.567 1.00 0.00 C ATOM 534 C GLN A 31 -17.153 1.643 -4.449 1.00 0.00 C ATOM 535 O GLN A 31 -18.328 1.975 -4.448 1.00 0.00 O ATOM 536 CB GLN A 31 -16.143 1.005 -2.209 1.00 0.00 C ATOM 537 CG GLN A 31 -15.708 -0.157 -1.298 1.00 0.00 C ATOM 538 CD GLN A 31 -16.421 -0.148 0.048 1.00 0.00 C ATOM 539 OE1 GLN A 31 -17.649 -0.189 0.122 1.00 0.00 O ATOM 540 NE2 GLN A 31 -15.695 -0.095 1.149 1.00 0.00 N ATOM 0 H GLN A 31 -14.645 0.182 -3.991 1.00 0.00 H new ATOM 0 HA GLN A 31 -17.477 -0.172 -3.358 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.301 1.680 -2.362 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -16.926 1.580 -1.714 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.906 -1.103 -1.803 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.632 -0.102 -1.135 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.677 -0.061 1.088 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -16.152 -0.088 2.061 1.00 0.00 H new ATOM 549 N LEU A 32 -16.274 2.216 -5.262 1.00 0.00 N ATOM 550 CA LEU A 32 -16.575 3.280 -6.187 1.00 0.00 C ATOM 551 C LEU A 32 -17.454 2.797 -7.320 1.00 0.00 C ATOM 552 O LEU A 32 -18.478 3.404 -7.607 1.00 0.00 O ATOM 553 CB LEU A 32 -15.244 3.768 -6.734 1.00 0.00 C ATOM 554 CG LEU A 32 -15.322 5.049 -7.539 1.00 0.00 C ATOM 555 CD1 LEU A 32 -15.872 4.979 -8.966 1.00 0.00 C ATOM 556 CD2 LEU A 32 -16.004 6.116 -6.680 1.00 0.00 C ATOM 0 H LEU A 32 -15.294 1.934 -5.289 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.120 4.077 -5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.558 3.920 -5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.816 2.986 -7.361 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.288 5.315 -7.759 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.864 5.975 -9.408 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.251 4.311 -9.563 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.894 4.601 -8.944 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.070 7.048 -7.242 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -17.006 5.782 -6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.422 6.280 -5.773 1.00 0.00 H new ATOM 568 N ALA A 33 -17.023 1.709 -7.947 1.00 0.00 N ATOM 569 CA ALA A 33 -17.777 0.947 -8.933 1.00 0.00 C ATOM 570 C ALA A 33 -19.194 0.720 -8.418 1.00 0.00 C ATOM 571 O ALA A 33 -20.172 0.988 -9.122 1.00 0.00 O ATOM 572 CB ALA A 33 -17.079 -0.395 -9.200 1.00 0.00 C ATOM 0 H ALA A 33 -16.097 1.317 -7.774 1.00 0.00 H new ATOM 0 HA ALA A 33 -17.825 1.503 -9.869 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.648 -0.960 -9.938 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.073 -0.213 -9.578 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -17.020 -0.965 -8.273 1.00 0.00 H new ATOM 578 N MET A 34 -19.285 0.268 -7.167 1.00 0.00 N ATOM 579 CA MET A 34 -20.532 -0.055 -6.520 1.00 0.00 C ATOM 580 C MET A 34 -21.357 1.195 -6.202 1.00 0.00 C ATOM 581 O MET A 34 -22.586 1.146 -6.145 1.00 0.00 O ATOM 582 CB MET A 34 -20.224 -0.852 -5.252 1.00 0.00 C ATOM 583 CG MET A 34 -19.974 -2.341 -5.528 1.00 0.00 C ATOM 584 SD MET A 34 -21.374 -3.419 -5.137 1.00 0.00 S ATOM 585 CE MET A 34 -22.571 -2.845 -6.362 1.00 0.00 C ATOM 0 H MET A 34 -18.470 0.117 -6.573 1.00 0.00 H new ATOM 0 HA MET A 34 -21.140 -0.654 -7.198 1.00 0.00 H new ATOM 0 HB2 MET A 34 -19.347 -0.426 -4.765 1.00 0.00 H new ATOM 0 HB3 MET A 34 -21.056 -0.752 -4.555 1.00 0.00 H new ATOM 0 HG2 MET A 34 -19.718 -2.465 -6.580 1.00 0.00 H new ATOM 0 HG3 MET A 34 -19.109 -2.665 -4.949 1.00 0.00 H new ATOM 0 HE1 MET A 34 -23.457 -3.479 -6.330 1.00 0.00 H new ATOM 0 HE2 MET A 34 -22.853 -1.816 -6.141 1.00 0.00 H new ATOM 0 HE3 MET A 34 -22.126 -2.893 -7.356 1.00 0.00 H new ATOM 595 N GLY A 35 -20.694 2.330 -6.024 1.00 0.00 N ATOM 596 CA GLY A 35 -21.278 3.640 -5.827 1.00 0.00 C ATOM 597 C GLY A 35 -21.306 4.081 -4.371 1.00 0.00 C ATOM 598 O GLY A 35 -22.143 4.903 -3.998 1.00 0.00 O ATOM 0 H GLY A 35 -19.674 2.357 -6.014 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -20.716 4.371 -6.409 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -22.296 3.637 -6.217 1.00 0.00 H new ATOM 602 N GLN A 36 -20.412 3.519 -3.556 1.00 0.00 N ATOM 603 CA GLN A 36 -20.454 3.593 -2.099 1.00 0.00 C ATOM 604 C GLN A 36 -19.340 4.509 -1.591 1.00 0.00 C ATOM 605 O GLN A 36 -19.467 5.170 -0.559 1.00 0.00 O ATOM 606 CB GLN A 36 -20.273 2.177 -1.520 1.00 0.00 C ATOM 607 CG GLN A 36 -21.090 1.105 -2.256 1.00 0.00 C ATOM 608 CD GLN A 36 -20.857 -0.282 -1.658 1.00 0.00 C ATOM 609 OE1 GLN A 36 -20.069 -1.079 -2.167 1.00 0.00 O ATOM 610 NE2 GLN A 36 -21.538 -0.612 -0.579 1.00 0.00 N ATOM 0 H GLN A 36 -19.616 2.984 -3.904 1.00 0.00 H new ATOM 0 HA GLN A 36 -21.414 4.000 -1.781 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -19.217 1.909 -1.560 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -20.561 2.183 -0.469 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -22.150 1.353 -2.202 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -20.817 1.098 -3.311 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -22.189 0.054 -0.163 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -21.414 -1.534 -0.160 1.00 0.00 H new ATOM 619 N LEU A 37 -18.226 4.536 -2.325 1.00 0.00 N ATOM 620 CA LEU A 37 -17.047 5.333 -2.044 1.00 0.00 C ATOM 621 C LEU A 37 -17.216 6.725 -2.649 1.00 0.00 C ATOM 622 O LEU A 37 -17.240 6.862 -3.872 1.00 0.00 O ATOM 623 CB LEU A 37 -15.803 4.552 -2.495 1.00 0.00 C ATOM 624 CG LEU A 37 -14.543 5.394 -2.680 1.00 0.00 C ATOM 625 CD1 LEU A 37 -14.199 6.271 -1.478 1.00 0.00 C ATOM 626 CD2 LEU A 37 -13.312 4.553 -2.966 1.00 0.00 C ATOM 0 H LEU A 37 -18.124 3.974 -3.170 1.00 0.00 H new ATOM 0 HA LEU A 37 -16.910 5.510 -0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.596 3.773 -1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -16.029 4.052 -3.437 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.793 6.024 -3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.292 6.837 -1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -15.020 6.961 -1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.039 5.642 -0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.447 5.204 -3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.137 3.870 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -13.467 3.980 -3.880 1.00 0.00 H new ATOM 638 N LYS A 38 -17.301 7.758 -1.805 1.00 0.00 N ATOM 639 CA LYS A 38 -17.467 9.163 -2.176 1.00 0.00 C ATOM 640 C LYS A 38 -16.224 9.947 -1.730 1.00 0.00 C ATOM 641 O LYS A 38 -16.337 10.873 -0.922 1.00 0.00 O ATOM 642 CB LYS A 38 -18.756 9.711 -1.514 1.00 0.00 C ATOM 643 CG LYS A 38 -20.069 8.977 -1.846 1.00 0.00 C ATOM 644 CD LYS A 38 -20.808 9.462 -3.102 1.00 0.00 C ATOM 645 CE LYS A 38 -20.002 9.323 -4.399 1.00 0.00 C ATOM 646 NZ LYS A 38 -20.879 9.088 -5.566 1.00 0.00 N ATOM 0 H LYS A 38 -17.253 7.628 -0.794 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.568 9.270 -3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -18.619 9.691 -0.433 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.868 10.756 -1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -19.850 7.916 -1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -20.741 9.071 -0.993 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -21.737 8.901 -3.203 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -21.081 10.509 -2.968 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -19.415 10.227 -4.561 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -19.296 8.498 -4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -20.298 8.999 -6.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -21.421 8.212 -5.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -21.536 9.887 -5.673 1.00 0.00 H new ATOM 660 N ASN A 39 -15.023 9.571 -2.183 1.00 0.00 N ATOM 661 CA ASN A 39 -13.770 10.236 -1.820 1.00 0.00 C ATOM 662 C ASN A 39 -12.685 9.903 -2.860 1.00 0.00 C ATOM 663 O ASN A 39 -11.840 9.029 -2.632 1.00 0.00 O ATOM 664 CB ASN A 39 -13.361 9.820 -0.384 1.00 0.00 C ATOM 665 CG ASN A 39 -12.708 10.957 0.387 1.00 0.00 C ATOM 666 OD1 ASN A 39 -12.188 11.922 -0.171 1.00 0.00 O ATOM 667 ND2 ASN A 39 -12.754 10.884 1.701 1.00 0.00 N ATOM 0 H ASN A 39 -14.894 8.785 -2.821 1.00 0.00 H new ATOM 0 HA ASN A 39 -13.900 11.318 -1.823 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.243 9.478 0.157 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.672 8.977 -0.436 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.356 11.633 2.268 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.188 10.079 2.152 1.00 0.00 H new ATOM 674 N THR A 40 -12.712 10.527 -4.043 1.00 0.00 N ATOM 675 CA THR A 40 -11.783 10.180 -5.120 1.00 0.00 C ATOM 676 C THR A 40 -10.376 10.728 -4.881 1.00 0.00 C ATOM 677 O THR A 40 -9.403 10.091 -5.299 1.00 0.00 O ATOM 678 CB THR A 40 -12.299 10.620 -6.498 1.00 0.00 C ATOM 679 OG1 THR A 40 -12.706 11.968 -6.550 1.00 0.00 O ATOM 680 CG2 THR A 40 -13.501 9.792 -6.951 1.00 0.00 C ATOM 0 H THR A 40 -13.367 11.273 -4.277 1.00 0.00 H new ATOM 0 HA THR A 40 -11.721 9.092 -5.114 1.00 0.00 H new ATOM 0 HB THR A 40 -11.440 10.471 -7.153 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.020 12.180 -7.454 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.833 10.138 -7.930 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.216 8.742 -7.014 1.00 0.00 H new ATOM 0 HG23 THR A 40 -14.313 9.905 -6.232 1.00 0.00 H new ATOM 688 N SER A 41 -10.227 11.881 -4.219 1.00 0.00 N ATOM 689 CA SER A 41 -8.896 12.400 -3.910 1.00 0.00 C ATOM 690 C SER A 41 -8.180 11.472 -2.927 1.00 0.00 C ATOM 691 O SER A 41 -6.967 11.287 -3.018 1.00 0.00 O ATOM 692 CB SER A 41 -9.005 13.805 -3.327 1.00 0.00 C ATOM 693 OG SER A 41 -9.560 14.697 -4.279 1.00 0.00 O ATOM 0 H SER A 41 -10.999 12.462 -3.893 1.00 0.00 H new ATOM 0 HA SER A 41 -8.314 12.446 -4.831 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.627 13.786 -2.432 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.019 14.156 -3.023 1.00 0.00 H new ATOM 0 HG SER A 41 -9.625 15.593 -3.888 1.00 0.00 H new ATOM 699 N LEU A 42 -8.947 10.831 -2.042 1.00 0.00 N ATOM 700 CA LEU A 42 -8.411 9.864 -1.098 1.00 0.00 C ATOM 701 C LEU A 42 -7.908 8.645 -1.881 1.00 0.00 C ATOM 702 O LEU A 42 -6.780 8.219 -1.650 1.00 0.00 O ATOM 703 CB LEU A 42 -9.468 9.552 -0.029 1.00 0.00 C ATOM 704 CG LEU A 42 -8.920 8.996 1.299 1.00 0.00 C ATOM 705 CD1 LEU A 42 -10.079 8.883 2.288 1.00 0.00 C ATOM 706 CD2 LEU A 42 -8.239 7.632 1.186 1.00 0.00 C ATOM 0 H LEU A 42 -9.954 10.971 -1.964 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.553 10.256 -0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.027 10.463 0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.175 8.832 -0.441 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.150 9.693 1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.711 8.491 3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.518 9.868 2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.836 8.210 1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.885 7.320 2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.952 6.900 0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.394 7.703 0.501 1.00 0.00 H new ATOM 718 N ILE A 43 -8.645 8.153 -2.891 1.00 0.00 N ATOM 719 CA ILE A 43 -8.183 7.067 -3.765 1.00 0.00 C ATOM 720 C ILE A 43 -6.817 7.443 -4.340 1.00 0.00 C ATOM 721 O ILE A 43 -5.887 6.647 -4.248 1.00 0.00 O ATOM 722 CB ILE A 43 -9.243 6.684 -4.842 1.00 0.00 C ATOM 723 CG1 ILE A 43 -9.797 5.247 -4.653 1.00 0.00 C ATOM 724 CG2 ILE A 43 -8.822 6.875 -6.310 1.00 0.00 C ATOM 725 CD1 ILE A 43 -8.840 4.053 -4.857 1.00 0.00 C ATOM 0 H ILE A 43 -9.577 8.498 -3.123 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.058 6.154 -3.183 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.028 7.417 -4.656 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.201 5.178 -3.643 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.634 5.122 -5.340 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.640 6.576 -6.965 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.581 7.923 -6.486 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.946 6.261 -6.520 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.380 3.121 -4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.451 4.068 -5.875 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.012 4.126 -4.152 1.00 0.00 H new ATOM 737 N LYS A 44 -6.650 8.654 -4.885 1.00 0.00 N ATOM 738 CA LYS A 44 -5.410 9.153 -5.451 1.00 0.00 C ATOM 739 C LYS A 44 -4.262 9.073 -4.435 1.00 0.00 C ATOM 740 O LYS A 44 -3.167 8.633 -4.784 1.00 0.00 O ATOM 741 CB LYS A 44 -5.690 10.569 -6.022 1.00 0.00 C ATOM 742 CG LYS A 44 -4.566 11.603 -5.870 1.00 0.00 C ATOM 743 CD LYS A 44 -3.323 11.186 -6.663 1.00 0.00 C ATOM 744 CE LYS A 44 -2.038 11.555 -5.905 1.00 0.00 C ATOM 745 NZ LYS A 44 -1.777 13.012 -5.920 1.00 0.00 N ATOM 0 H LYS A 44 -7.410 9.332 -4.942 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.064 8.530 -6.276 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.921 10.470 -7.083 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.583 10.962 -5.537 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.913 12.576 -6.217 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.309 11.713 -4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.347 10.112 -6.845 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.328 11.674 -7.637 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.116 11.213 -4.873 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.192 11.032 -6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.901 13.213 -5.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.676 13.336 -6.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.571 13.512 -5.471 1.00 0.00 H new ATOM 759 N LEU A 45 -4.476 9.469 -3.184 1.00 0.00 N ATOM 760 CA LEU A 45 -3.475 9.421 -2.150 1.00 0.00 C ATOM 761 C LEU A 45 -3.225 7.960 -1.766 1.00 0.00 C ATOM 762 O LEU A 45 -2.137 7.621 -1.302 1.00 0.00 O ATOM 763 CB LEU A 45 -4.000 10.222 -0.968 1.00 0.00 C ATOM 764 CG LEU A 45 -3.765 11.744 -1.063 1.00 0.00 C ATOM 765 CD1 LEU A 45 -4.026 12.311 0.322 1.00 0.00 C ATOM 766 CD2 LEU A 45 -2.349 12.177 -1.472 1.00 0.00 C ATOM 0 H LEU A 45 -5.372 9.838 -2.865 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.529 9.846 -2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.070 10.039 -0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.528 9.852 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.428 12.111 -1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.873 13.390 0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.053 12.094 0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.340 11.856 1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.297 13.265 -1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.629 11.803 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.114 11.771 -2.456 1.00 0.00 H new ATOM 778 N THR A 46 -4.198 7.081 -2.005 1.00 0.00 N ATOM 779 CA THR A 46 -4.105 5.674 -1.720 1.00 0.00 C ATOM 780 C THR A 46 -3.210 5.051 -2.794 1.00 0.00 C ATOM 781 O THR A 46 -2.147 4.592 -2.419 1.00 0.00 O ATOM 782 CB THR A 46 -5.518 5.100 -1.490 1.00 0.00 C ATOM 783 OG1 THR A 46 -6.128 5.893 -0.496 1.00 0.00 O ATOM 784 CG2 THR A 46 -5.544 3.687 -0.922 1.00 0.00 C ATOM 0 H THR A 46 -5.093 7.349 -2.414 1.00 0.00 H new ATOM 0 HA THR A 46 -3.610 5.425 -0.781 1.00 0.00 H new ATOM 0 HB THR A 46 -6.007 5.093 -2.464 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.565 6.664 -0.915 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.578 3.366 -0.793 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.036 3.010 -1.608 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.037 3.673 0.043 1.00 0.00 H new ATOM 792 N LYS A 47 -3.484 5.106 -4.111 1.00 0.00 N ATOM 793 CA LYS A 47 -2.524 4.597 -5.140 1.00 0.00 C ATOM 794 C LYS A 47 -1.109 5.117 -4.964 1.00 0.00 C ATOM 795 O LYS A 47 -0.169 4.342 -5.094 1.00 0.00 O ATOM 796 CB LYS A 47 -2.917 4.669 -6.623 1.00 0.00 C ATOM 797 CG LYS A 47 -3.742 5.891 -6.881 1.00 0.00 C ATOM 798 CD LYS A 47 -5.225 5.539 -6.874 1.00 0.00 C ATOM 799 CE LYS A 47 -5.664 5.022 -8.255 1.00 0.00 C ATOM 800 NZ LYS A 47 -6.136 6.106 -9.152 1.00 0.00 N ATOM 0 H LYS A 47 -4.347 5.490 -4.496 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.575 3.534 -4.904 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.021 4.689 -7.243 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.478 3.777 -6.902 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.536 6.644 -6.120 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.469 6.326 -7.842 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.421 4.780 -6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.812 6.417 -6.605 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.828 4.505 -8.726 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.461 4.290 -8.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.419 5.701 -10.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.951 6.585 -8.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.369 6.793 -9.300 1.00 0.00 H new ATOM 814 N ARG A 48 -0.961 6.395 -4.645 1.00 0.00 N ATOM 815 CA ARG A 48 0.309 7.011 -4.316 1.00 0.00 C ATOM 816 C ARG A 48 1.053 6.230 -3.250 1.00 0.00 C ATOM 817 O ARG A 48 2.175 5.771 -3.494 1.00 0.00 O ATOM 818 CB ARG A 48 -0.048 8.444 -3.926 1.00 0.00 C ATOM 819 CG ARG A 48 1.077 9.278 -3.337 1.00 0.00 C ATOM 820 CD ARG A 48 0.478 10.667 -3.102 1.00 0.00 C ATOM 821 NE ARG A 48 1.519 11.651 -2.813 1.00 0.00 N ATOM 822 CZ ARG A 48 2.345 12.202 -3.706 1.00 0.00 C ATOM 823 NH1 ARG A 48 2.299 11.853 -4.989 1.00 0.00 N ATOM 824 NH2 ARG A 48 3.217 13.115 -3.314 1.00 0.00 N ATOM 0 H ARG A 48 -1.745 7.047 -4.608 1.00 0.00 H new ATOM 0 HA ARG A 48 1.013 7.013 -5.148 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.427 8.956 -4.811 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.864 8.410 -3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.440 8.845 -2.405 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.927 9.327 -4.018 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.084 10.977 -3.983 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -0.227 10.626 -2.272 1.00 0.00 H new ATOM 0 HE ARG A 48 1.624 11.943 -1.841 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.625 11.155 -5.304 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.937 12.284 -5.658 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.256 13.395 -2.334 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.850 13.539 -3.992 1.00 0.00 H new ATOM 838 N ASP A 49 0.452 6.077 -2.077 1.00 0.00 N ATOM 839 CA ASP A 49 1.127 5.397 -0.984 1.00 0.00 C ATOM 840 C ASP A 49 1.153 3.900 -1.208 1.00 0.00 C ATOM 841 O ASP A 49 2.149 3.289 -0.873 1.00 0.00 O ATOM 842 CB ASP A 49 0.476 5.729 0.347 1.00 0.00 C ATOM 843 CG ASP A 49 1.465 5.832 1.511 1.00 0.00 C ATOM 844 OD1 ASP A 49 2.679 6.100 1.312 1.00 0.00 O ATOM 845 OD2 ASP A 49 0.971 5.703 2.654 1.00 0.00 O ATOM 0 H ASP A 49 -0.488 6.410 -1.861 1.00 0.00 H new ATOM 0 HA ASP A 49 2.157 5.753 -0.957 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.060 6.674 0.253 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.265 4.964 0.579 1.00 0.00 H new ATOM 850 N ILE A 50 0.154 3.296 -1.857 1.00 0.00 N ATOM 851 CA ILE A 50 0.217 1.919 -2.324 1.00 0.00 C ATOM 852 C ILE A 50 1.494 1.773 -3.101 1.00 0.00 C ATOM 853 O ILE A 50 2.249 0.867 -2.815 1.00 0.00 O ATOM 854 CB ILE A 50 -1.013 1.471 -3.159 1.00 0.00 C ATOM 855 CG1 ILE A 50 -2.059 0.872 -2.223 1.00 0.00 C ATOM 856 CG2 ILE A 50 -0.725 0.361 -4.196 1.00 0.00 C ATOM 857 CD1 ILE A 50 -2.917 1.896 -1.503 1.00 0.00 C ATOM 0 H ILE A 50 -0.729 3.759 -2.073 1.00 0.00 H new ATOM 0 HA ILE A 50 0.200 1.258 -1.458 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.334 2.370 -3.685 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.708 0.212 -2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.553 0.254 -1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.643 0.115 -4.730 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.024 0.712 -4.906 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.353 -0.527 -3.685 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.632 1.384 -0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.281 2.542 -0.897 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.454 2.499 -2.235 1.00 0.00 H new ATOM 869 N ALA A 51 1.776 2.658 -4.042 1.00 0.00 N ATOM 870 CA ALA A 51 2.901 2.447 -4.929 1.00 0.00 C ATOM 871 C ALA A 51 4.238 2.769 -4.247 1.00 0.00 C ATOM 872 O ALA A 51 5.285 2.532 -4.844 1.00 0.00 O ATOM 873 CB ALA A 51 2.660 3.266 -6.193 1.00 0.00 C ATOM 0 H ALA A 51 1.249 3.516 -4.208 1.00 0.00 H new ATOM 0 HA ALA A 51 2.976 1.393 -5.198 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.493 3.126 -6.881 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.737 2.937 -6.669 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.577 4.321 -5.933 1.00 0.00 H new ATOM 879 N ARG A 52 4.201 3.286 -3.011 1.00 0.00 N ATOM 880 CA ARG A 52 5.312 3.328 -2.055 1.00 0.00 C ATOM 881 C ARG A 52 5.358 2.053 -1.196 1.00 0.00 C ATOM 882 O ARG A 52 6.344 1.322 -1.247 1.00 0.00 O ATOM 883 CB ARG A 52 5.177 4.636 -1.244 1.00 0.00 C ATOM 884 CG ARG A 52 6.384 5.057 -0.395 1.00 0.00 C ATOM 885 CD ARG A 52 6.367 4.446 1.014 1.00 0.00 C ATOM 886 NE ARG A 52 7.040 5.328 1.985 1.00 0.00 N ATOM 887 CZ ARG A 52 6.447 6.228 2.787 1.00 0.00 C ATOM 888 NH1 ARG A 52 5.130 6.419 2.794 1.00 0.00 N ATOM 889 NH2 ARG A 52 7.209 6.961 3.587 1.00 0.00 N ATOM 0 H ARG A 52 3.352 3.707 -2.634 1.00 0.00 H new ATOM 0 HA ARG A 52 6.275 3.341 -2.565 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.954 5.445 -1.940 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.316 4.537 -0.583 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.301 4.759 -0.904 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.403 6.144 -0.314 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.337 4.275 1.327 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.861 3.474 0.998 1.00 0.00 H new ATOM 0 HE ARG A 52 8.054 5.247 2.055 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.532 5.872 2.175 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.719 7.113 3.418 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.221 6.835 3.584 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.783 7.651 4.205 1.00 0.00 H new ATOM 903 N ILE A 53 4.323 1.760 -0.406 1.00 0.00 N ATOM 904 CA ILE A 53 4.189 0.573 0.432 1.00 0.00 C ATOM 905 C ILE A 53 4.351 -0.721 -0.335 1.00 0.00 C ATOM 906 O ILE A 53 5.191 -1.537 0.033 1.00 0.00 O ATOM 907 CB ILE A 53 2.849 0.634 1.194 1.00 0.00 C ATOM 908 CG1 ILE A 53 2.950 1.595 2.385 1.00 0.00 C ATOM 909 CG2 ILE A 53 2.490 -0.730 1.764 1.00 0.00 C ATOM 910 CD1 ILE A 53 2.464 2.990 2.076 1.00 0.00 C ATOM 0 H ILE A 53 3.515 2.378 -0.332 1.00 0.00 H new ATOM 0 HA ILE A 53 5.008 0.576 1.151 1.00 0.00 H new ATOM 0 HB ILE A 53 2.094 0.969 0.483 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.371 1.193 3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.988 1.645 2.714 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.542 -0.663 2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.400 -1.451 0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.271 -1.054 2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.565 3.615 2.963 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.059 3.411 1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.417 2.952 1.776 1.00 0.00 H new ATOM 922 N LYS A 54 3.545 -0.945 -1.364 1.00 0.00 N ATOM 923 CA LYS A 54 3.577 -2.184 -2.112 1.00 0.00 C ATOM 924 C LYS A 54 4.989 -2.383 -2.675 1.00 0.00 C ATOM 925 O LYS A 54 5.470 -3.517 -2.732 1.00 0.00 O ATOM 926 CB LYS A 54 2.432 -2.203 -3.165 1.00 0.00 C ATOM 927 CG LYS A 54 2.792 -1.541 -4.514 1.00 0.00 C ATOM 928 CD LYS A 54 3.639 -2.435 -5.442 1.00 0.00 C ATOM 929 CE LYS A 54 3.103 -2.449 -6.874 1.00 0.00 C ATOM 930 NZ LYS A 54 4.059 -3.066 -7.814 1.00 0.00 N ATOM 0 H LYS A 54 2.855 -0.273 -1.699 1.00 0.00 H new ATOM 0 HA LYS A 54 3.380 -3.046 -1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.141 -3.237 -3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.562 -1.697 -2.747 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.872 -1.267 -5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.336 -0.617 -4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.670 -2.080 -5.445 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.653 -3.452 -5.051 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.161 -2.996 -6.903 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.889 -1.428 -7.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.658 -3.056 -8.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.950 -2.529 -7.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.244 -4.048 -7.526 1.00 0.00 H new ATOM 944 N THR A 55 5.656 -1.281 -3.040 1.00 0.00 N ATOM 945 CA THR A 55 7.038 -1.309 -3.441 1.00 0.00 C ATOM 946 C THR A 55 7.931 -1.738 -2.289 1.00 0.00 C ATOM 947 O THR A 55 8.782 -2.549 -2.586 1.00 0.00 O ATOM 948 CB THR A 55 7.436 0.021 -4.077 1.00 0.00 C ATOM 949 OG1 THR A 55 6.897 0.016 -5.381 1.00 0.00 O ATOM 950 CG2 THR A 55 8.942 0.262 -4.185 1.00 0.00 C ATOM 0 H THR A 55 5.238 -0.351 -3.060 1.00 0.00 H new ATOM 0 HA THR A 55 7.177 -2.066 -4.213 1.00 0.00 H new ATOM 0 HB THR A 55 7.056 0.816 -3.436 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.305 0.789 -5.493 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.123 1.231 -4.649 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.385 0.248 -3.189 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.393 -0.522 -4.794 1.00 0.00 H new ATOM 958 N ILE A 56 7.774 -1.310 -1.026 1.00 0.00 N ATOM 959 CA ILE A 56 8.651 -1.783 0.069 1.00 0.00 C ATOM 960 C ILE A 56 8.760 -3.303 0.035 1.00 0.00 C ATOM 961 O ILE A 56 9.865 -3.820 0.115 1.00 0.00 O ATOM 962 CB ILE A 56 8.224 -1.312 1.477 1.00 0.00 C ATOM 963 CG1 ILE A 56 8.457 0.203 1.621 1.00 0.00 C ATOM 964 CG2 ILE A 56 8.943 -2.106 2.599 1.00 0.00 C ATOM 965 CD1 ILE A 56 9.848 0.605 2.131 1.00 0.00 C ATOM 0 H ILE A 56 7.058 -0.645 -0.735 1.00 0.00 H new ATOM 0 HA ILE A 56 9.624 -1.328 -0.114 1.00 0.00 H new ATOM 0 HB ILE A 56 7.158 -1.512 1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.293 0.673 0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.707 0.607 2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.613 -1.742 3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.702 -3.165 2.507 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.021 -1.970 2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.911 1.691 2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.013 0.171 3.117 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.608 0.239 1.441 1.00 0.00 H new ATOM 977 N LEU A 57 7.643 -4.015 -0.113 1.00 0.00 N ATOM 978 CA LEU A 57 7.703 -5.477 -0.155 1.00 0.00 C ATOM 979 C LEU A 57 8.478 -5.929 -1.379 1.00 0.00 C ATOM 980 O LEU A 57 9.358 -6.768 -1.264 1.00 0.00 O ATOM 981 CB LEU A 57 6.284 -6.073 -0.109 1.00 0.00 C ATOM 982 CG LEU A 57 6.256 -7.443 0.600 1.00 0.00 C ATOM 983 CD1 LEU A 57 4.876 -7.726 1.199 1.00 0.00 C ATOM 984 CD2 LEU A 57 6.626 -8.541 -0.376 1.00 0.00 C ATOM 0 H LEU A 57 6.708 -3.617 -0.204 1.00 0.00 H new ATOM 0 HA LEU A 57 8.233 -5.845 0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.617 -5.383 0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.903 -6.182 -1.125 1.00 0.00 H new ATOM 0 HG LEU A 57 6.984 -7.418 1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.886 -8.698 1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.629 -6.952 1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.129 -7.729 0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.603 -9.504 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.913 -8.550 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.628 -8.360 -0.765 1.00 0.00 H new ATOM 996 N ARG A 58 8.230 -5.322 -2.536 1.00 0.00 N ATOM 997 CA ARG A 58 9.033 -5.531 -3.724 1.00 0.00 C ATOM 998 C ARG A 58 10.499 -5.386 -3.385 1.00 0.00 C ATOM 999 O ARG A 58 11.254 -6.313 -3.590 1.00 0.00 O ATOM 1000 CB ARG A 58 8.528 -4.563 -4.830 1.00 0.00 C ATOM 1001 CG ARG A 58 8.336 -5.115 -6.246 1.00 0.00 C ATOM 1002 CD ARG A 58 7.905 -6.576 -6.187 1.00 0.00 C ATOM 1003 NE ARG A 58 7.005 -6.988 -7.277 1.00 0.00 N ATOM 1004 CZ ARG A 58 6.298 -8.131 -7.280 1.00 0.00 C ATOM 1005 NH1 ARG A 58 6.414 -9.018 -6.300 1.00 0.00 N ATOM 1006 NH2 ARG A 58 5.420 -8.370 -8.241 1.00 0.00 N ATOM 0 H ARG A 58 7.459 -4.668 -2.670 1.00 0.00 H new ATOM 0 HA ARG A 58 8.927 -6.543 -4.114 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.574 -4.152 -4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.230 -3.731 -4.890 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.585 -4.528 -6.774 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.265 -5.025 -6.809 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.794 -7.206 -6.209 1.00 0.00 H new ATOM 0 HD3 ARG A 58 7.409 -6.758 -5.234 1.00 0.00 H new ATOM 0 HE ARG A 58 6.912 -6.367 -8.081 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.050 -8.839 -5.523 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.867 -9.879 -6.324 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.278 -7.685 -8.984 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.886 -9.239 -8.239 1.00 0.00 H new ATOM 1020 N GLU A 59 10.887 -4.298 -2.758 1.00 0.00 N ATOM 1021 CA GLU A 59 12.268 -3.944 -2.484 1.00 0.00 C ATOM 1022 C GLU A 59 13.085 -5.050 -1.845 1.00 0.00 C ATOM 1023 O GLU A 59 14.289 -5.124 -2.103 1.00 0.00 O ATOM 1024 CB GLU A 59 12.392 -2.648 -1.664 1.00 0.00 C ATOM 1025 CG GLU A 59 11.902 -1.463 -2.477 1.00 0.00 C ATOM 1026 CD GLU A 59 12.272 -0.073 -1.937 1.00 0.00 C ATOM 1027 OE1 GLU A 59 11.893 0.267 -0.789 1.00 0.00 O ATOM 1028 OE2 GLU A 59 12.860 0.729 -2.697 1.00 0.00 O ATOM 0 H GLU A 59 10.224 -3.605 -2.410 1.00 0.00 H new ATOM 0 HA GLU A 59 12.696 -3.775 -3.472 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.811 -2.733 -0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.430 -2.493 -1.371 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.297 -1.554 -3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.816 -1.524 -2.552 1.00 0.00 H new ATOM 1035 N ARG A 60 12.413 -5.903 -1.074 1.00 0.00 N ATOM 1036 CA ARG A 60 12.976 -6.996 -0.318 1.00 0.00 C ATOM 1037 C ARG A 60 12.592 -8.388 -0.849 1.00 0.00 C ATOM 1038 O ARG A 60 13.151 -9.364 -0.358 1.00 0.00 O ATOM 1039 CB ARG A 60 12.659 -6.742 1.168 1.00 0.00 C ATOM 1040 CG ARG A 60 11.272 -6.175 1.483 1.00 0.00 C ATOM 1041 CD ARG A 60 10.703 -6.594 2.846 1.00 0.00 C ATOM 1042 NE ARG A 60 9.898 -7.830 2.777 1.00 0.00 N ATOM 1043 CZ ARG A 60 10.289 -9.113 2.741 1.00 0.00 C ATOM 1044 NH1 ARG A 60 11.560 -9.471 2.878 1.00 0.00 N ATOM 1045 NH2 ARG A 60 9.371 -10.064 2.594 1.00 0.00 N ATOM 0 H ARG A 60 11.401 -5.837 -0.961 1.00 0.00 H new ATOM 0 HA ARG A 60 14.059 -7.018 -0.441 1.00 0.00 H new ATOM 0 HB2 ARG A 60 12.774 -7.682 1.707 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.407 -6.055 1.564 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.322 -5.087 1.444 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.579 -6.491 0.703 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.524 -6.740 3.548 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.086 -5.786 3.241 1.00 0.00 H new ATOM 0 HE ARG A 60 8.888 -7.686 2.753 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.278 -8.760 3.016 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.818 -10.457 2.845 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.386 -9.813 2.510 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.652 -11.044 2.565 1.00 0.00 H new ATOM 1059 N GLU A 61 11.794 -8.536 -1.914 1.00 0.00 N ATOM 1060 CA GLU A 61 11.714 -9.759 -2.709 1.00 0.00 C ATOM 1061 C GLU A 61 12.878 -9.809 -3.703 1.00 0.00 C ATOM 1062 O GLU A 61 13.053 -10.798 -4.421 1.00 0.00 O ATOM 1063 CB GLU A 61 10.387 -9.750 -3.487 1.00 0.00 C ATOM 1064 CG GLU A 61 9.213 -9.836 -2.504 1.00 0.00 C ATOM 1065 CD GLU A 61 7.841 -9.778 -3.175 1.00 0.00 C ATOM 1066 OE1 GLU A 61 7.520 -8.771 -3.853 1.00 0.00 O ATOM 1067 OE2 GLU A 61 7.043 -10.720 -2.963 1.00 0.00 O ATOM 0 H GLU A 61 11.178 -7.795 -2.249 1.00 0.00 H new ATOM 0 HA GLU A 61 11.765 -10.629 -2.054 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.309 -8.841 -4.083 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.355 -10.590 -4.181 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.292 -10.765 -1.939 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.291 -9.019 -1.787 1.00 0.00 H new ATOM 1074 N LEU A 62 13.615 -8.702 -3.795 1.00 0.00 N ATOM 1075 CA LEU A 62 14.541 -8.304 -4.826 1.00 0.00 C ATOM 1076 C LEU A 62 15.810 -7.860 -4.095 1.00 0.00 C ATOM 1077 O LEU A 62 16.023 -8.262 -2.949 1.00 0.00 O ATOM 1078 CB LEU A 62 13.889 -7.127 -5.561 1.00 0.00 C ATOM 1079 CG LEU A 62 12.453 -7.327 -6.080 1.00 0.00 C ATOM 1080 CD1 LEU A 62 11.868 -6.031 -6.633 1.00 0.00 C ATOM 1081 CD2 LEU A 62 12.288 -8.531 -6.967 1.00 0.00 C ATOM 0 H LEU A 62 13.563 -7.993 -3.063 1.00 0.00 H new ATOM 0 HA LEU A 62 14.780 -9.090 -5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.888 -6.268 -4.889 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.521 -6.867 -6.410 1.00 0.00 H new ATOM 0 HG LEU A 62 11.836 -7.578 -5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.854 -6.212 -6.990 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.847 -5.277 -5.846 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.485 -5.677 -7.459 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.250 -8.604 -7.292 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.935 -8.432 -7.839 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.559 -9.430 -6.414 1.00 0.00 H new ATOM 1093 N GLY A 63 16.644 -7.021 -4.706 1.00 0.00 N ATOM 1094 CA GLY A 63 17.729 -6.332 -4.017 1.00 0.00 C ATOM 1095 C GLY A 63 17.689 -4.834 -4.268 1.00 0.00 C ATOM 1096 O GLY A 63 18.740 -4.240 -4.505 1.00 0.00 O ATOM 0 H GLY A 63 16.584 -6.800 -5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.661 -6.524 -2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.686 -6.732 -4.352 1.00 0.00 H new ATOM 1100 N ILE A 64 16.497 -4.235 -4.295 1.00 0.00 N ATOM 1101 CA ILE A 64 16.293 -2.823 -4.462 1.00 0.00 C ATOM 1102 C ILE A 64 16.951 -2.084 -3.300 1.00 0.00 C ATOM 1103 O ILE A 64 18.024 -1.500 -3.432 1.00 0.00 O ATOM 1104 CB ILE A 64 14.809 -2.512 -4.692 1.00 0.00 C ATOM 1105 CG1 ILE A 64 14.112 -3.360 -5.771 1.00 0.00 C ATOM 1106 CG2 ILE A 64 14.629 -1.045 -5.046 1.00 0.00 C ATOM 1107 CD1 ILE A 64 14.740 -3.327 -7.163 1.00 0.00 C ATOM 0 H ILE A 64 15.624 -4.753 -4.196 1.00 0.00 H new ATOM 0 HA ILE A 64 16.782 -2.456 -5.364 1.00 0.00 H new ATOM 0 HB ILE A 64 14.331 -2.767 -3.746 1.00 0.00 H new ATOM 0 HG12 ILE A 64 14.087 -4.395 -5.431 1.00 0.00 H new ATOM 0 HG13 ILE A 64 13.077 -3.027 -5.854 1.00 0.00 H new ATOM 0 HG21 ILE A 64 13.571 -0.837 -5.207 1.00 0.00 H new ATOM 0 HG22 ILE A 64 15.001 -0.425 -4.230 1.00 0.00 H new ATOM 0 HG23 ILE A 64 15.186 -0.819 -5.956 1.00 0.00 H new ATOM 0 HD11 ILE A 64 14.164 -3.961 -7.837 1.00 0.00 H new ATOM 0 HD12 ILE A 64 14.740 -2.304 -7.538 1.00 0.00 H new ATOM 0 HD13 ILE A 64 15.765 -3.693 -7.108 1.00 0.00 H new ATOM 1119 N ARG A 65 16.226 -2.031 -2.189 1.00 0.00 N ATOM 1120 CA ARG A 65 16.645 -1.505 -0.903 1.00 0.00 C ATOM 1121 C ARG A 65 16.399 -2.635 0.080 1.00 0.00 C ATOM 1122 O ARG A 65 15.435 -2.613 0.847 1.00 0.00 O ATOM 1123 CB ARG A 65 15.877 -0.239 -0.512 1.00 0.00 C ATOM 1124 CG ARG A 65 15.996 0.909 -1.518 1.00 0.00 C ATOM 1125 CD ARG A 65 15.435 2.202 -0.920 1.00 0.00 C ATOM 1126 NE ARG A 65 15.532 3.335 -1.861 1.00 0.00 N ATOM 1127 CZ ARG A 65 16.312 4.421 -1.771 1.00 0.00 C ATOM 1128 NH1 ARG A 65 17.055 4.638 -0.692 1.00 0.00 N ATOM 1129 NH2 ARG A 65 16.352 5.316 -2.752 1.00 0.00 N ATOM 0 H ARG A 65 15.267 -2.378 -2.165 1.00 0.00 H new ATOM 0 HA ARG A 65 17.690 -1.197 -0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 65 14.824 -0.491 -0.390 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.237 0.105 0.458 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.041 1.052 -1.795 1.00 0.00 H new ATOM 0 HG3 ARG A 65 15.456 0.659 -2.431 1.00 0.00 H new ATOM 0 HD2 ARG A 65 14.392 2.050 -0.642 1.00 0.00 H new ATOM 0 HD3 ARG A 65 15.977 2.443 -0.005 1.00 0.00 H new ATOM 0 HE ARG A 65 14.930 3.285 -2.683 1.00 0.00 H new ATOM 0 HH11 ARG A 65 17.037 3.974 0.082 1.00 0.00 H new ATOM 0 HH12 ARG A 65 17.644 5.469 -0.637 1.00 0.00 H new ATOM 0 HH21 ARG A 65 15.784 5.182 -3.588 1.00 0.00 H new ATOM 0 HH22 ARG A 65 16.951 6.138 -2.669 1.00 0.00 H new ATOM 1143 N ARG A 66 17.234 -3.659 0.001 1.00 0.00 N ATOM 1144 CA ARG A 66 17.313 -4.659 1.048 1.00 0.00 C ATOM 1145 C ARG A 66 18.071 -3.991 2.177 1.00 0.00 C ATOM 1146 O ARG A 66 17.453 -3.584 3.182 1.00 0.00 O ATOM 1147 CB ARG A 66 17.993 -5.949 0.552 1.00 0.00 C ATOM 1148 CG ARG A 66 16.962 -6.967 0.051 1.00 0.00 C ATOM 1149 CD ARG A 66 17.581 -8.335 -0.285 1.00 0.00 C ATOM 1150 NE ARG A 66 16.524 -9.357 -0.362 1.00 0.00 N ATOM 1151 CZ ARG A 66 16.398 -10.459 0.386 1.00 0.00 C ATOM 1152 NH1 ARG A 66 17.437 -10.978 1.026 1.00 0.00 N ATOM 1153 NH2 ARG A 66 15.216 -11.050 0.508 1.00 0.00 N ATOM 0 H ARG A 66 17.868 -3.818 -0.782 1.00 0.00 H new ATOM 0 HA ARG A 66 16.327 -4.985 1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 66 18.690 -5.709 -0.251 1.00 0.00 H new ATOM 0 HB3 ARG A 66 18.577 -6.388 1.361 1.00 0.00 H new ATOM 0 HG2 ARG A 66 16.192 -7.100 0.811 1.00 0.00 H new ATOM 0 HG3 ARG A 66 16.469 -6.570 -0.836 1.00 0.00 H new ATOM 0 HD2 ARG A 66 18.115 -8.279 -1.234 1.00 0.00 H new ATOM 0 HD3 ARG A 66 18.311 -8.611 0.476 1.00 0.00 H new ATOM 0 HE ARG A 66 15.803 -9.207 -1.068 1.00 0.00 H new ATOM 0 HH11 ARG A 66 18.353 -10.536 0.953 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.320 -11.819 1.591 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.401 -10.664 0.031 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.122 -11.890 1.079 1.00 0.00 H new TER 1167 ARG A 66