USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 584 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 66 THR OG1 : rot -116:sc= -0.153 USER MOD Set 1.2: A 68 HIS :FLIP no HD1:sc= -1.97 F(o=-4,f=-2.1) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -168:sc= -0.0032 (180deg=-0.139) USER MOD Single : A 7 THR OG1 : rot -33:sc= 0.758 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -88:sc= 0.475 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.353 K(o=-0.35,f=-2.8!) USER MOD Single : A 27 LYS NZ :NH3+ -128:sc= 0.217 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= 0.0409 (180deg=-0.00557) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.877 F(o=-1.8,f=-0.88) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= -0.0427 (180deg=-0.335) USER MOD Single : A 40 GLN : amide:sc= -0.0979 X(o=-0.098,f=-0.3) USER MOD Single : A 41 GLN : amide:sc= -4.16! C(o=-4.2!,f=-13!) USER MOD Single : A 48 LYS NZ :NH3+ -163:sc= -0.0335 (180deg=-0.355) USER MOD Single : A 49 GLN : amide:sc= 0.574 K(o=0.57,f=-4.1!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00104 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.354 USER MOD Single : A 60 ASN : amide:sc=-0.00377 K(o=-0.0038,f=-0.53) USER MOD Single : A 62 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.22) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 28.855 27.096 2.736 1.00 0.00 N ATOM 21 CA GLN A 2 28.881 28.360 3.455 1.00 0.00 C ATOM 22 C GLN A 2 27.989 28.293 4.695 1.00 0.00 C ATOM 23 O GLN A 2 26.962 27.613 4.703 1.00 0.00 O ATOM 24 CB GLN A 2 28.391 29.477 2.535 1.00 0.00 C ATOM 25 CG GLN A 2 29.448 29.763 1.466 1.00 0.00 C ATOM 26 CD GLN A 2 29.011 30.939 0.598 1.00 0.00 C ATOM 27 OE1 GLN A 2 29.321 32.090 0.907 1.00 0.00 O ATOM 28 NE2 GLN A 2 28.306 30.720 -0.478 1.00 0.00 N ATOM 0 HA GLN A 2 29.904 28.562 3.772 1.00 0.00 H new ATOM 0 HB2 GLN A 2 27.452 29.188 2.064 1.00 0.00 H new ATOM 0 HB3 GLN A 2 28.192 30.378 3.115 1.00 0.00 H new ATOM 0 HG2 GLN A 2 30.404 29.986 1.939 1.00 0.00 H new ATOM 0 HG3 GLN A 2 29.598 28.879 0.846 1.00 0.00 H new ATOM 0 HE21 GLN A 2 28.049 29.767 -0.734 1.00 0.00 H new ATOM 0 HE22 GLN A 2 28.012 31.502 -1.063 1.00 0.00 H new ATOM 37 N ILE A 3 28.401 29.008 5.739 1.00 0.00 N ATOM 38 CA ILE A 3 27.650 29.039 6.991 1.00 0.00 C ATOM 39 C ILE A 3 27.667 30.439 7.602 1.00 0.00 C ATOM 40 O ILE A 3 28.644 31.175 7.479 1.00 0.00 O ATOM 41 CB ILE A 3 28.240 28.042 7.983 1.00 0.00 C ATOM 42 CG1 ILE A 3 29.672 28.451 8.357 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.268 26.645 7.357 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.211 27.498 9.418 1.00 0.00 C ATOM 0 H ILE A 3 29.250 29.573 5.743 1.00 0.00 H new ATOM 0 HA ILE A 3 26.618 28.766 6.773 1.00 0.00 H new ATOM 0 HB ILE A 3 27.620 28.034 8.880 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.311 28.428 7.474 1.00 0.00 H new ATOM 0 HG13 ILE A 3 29.683 29.474 8.732 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.690 25.936 8.069 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.253 26.341 7.100 1.00 0.00 H new ATOM 0 HG23 ILE A 3 28.881 26.662 6.456 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.228 27.787 9.684 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.577 27.543 10.304 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.214 26.481 9.026 1.00 0.00 H new ATOM 56 N PHE A 4 26.570 30.798 8.257 1.00 0.00 N ATOM 57 CA PHE A 4 26.443 32.113 8.888 1.00 0.00 C ATOM 58 C PHE A 4 26.755 32.029 10.375 1.00 0.00 C ATOM 59 O PHE A 4 26.194 31.188 11.078 1.00 0.00 O ATOM 60 CB PHE A 4 25.016 32.637 8.704 1.00 0.00 C ATOM 61 CG PHE A 4 24.764 32.941 7.246 1.00 0.00 C ATOM 62 CD1 PHE A 4 24.291 31.935 6.396 1.00 0.00 C ATOM 63 CD2 PHE A 4 25.001 34.227 6.746 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.049 32.216 5.046 1.00 0.00 C ATOM 65 CE2 PHE A 4 24.760 34.508 5.396 1.00 0.00 C ATOM 66 CZ PHE A 4 24.286 33.502 4.544 1.00 0.00 C ATOM 0 H PHE A 4 25.752 30.198 8.367 1.00 0.00 H new ATOM 0 HA PHE A 4 27.153 32.791 8.415 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.299 31.897 9.059 1.00 0.00 H new ATOM 0 HB3 PHE A 4 24.869 33.536 9.303 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.113 30.942 6.781 1.00 0.00 H new ATOM 0 HD2 PHE A 4 25.370 35.002 7.402 1.00 0.00 H new ATOM 0 HE1 PHE A 4 23.679 31.441 4.391 1.00 0.00 H new ATOM 0 HE2 PHE A 4 24.940 35.501 5.011 1.00 0.00 H new ATOM 0 HZ PHE A 4 24.104 33.718 3.502 1.00 0.00 H new ATOM 76 N VAL A 5 27.636 32.909 10.866 1.00 0.00 N ATOM 77 CA VAL A 5 27.994 32.923 12.287 1.00 0.00 C ATOM 78 C VAL A 5 27.451 34.175 12.955 1.00 0.00 C ATOM 79 O VAL A 5 27.837 35.297 12.625 1.00 0.00 O ATOM 80 CB VAL A 5 29.515 32.857 12.453 1.00 0.00 C ATOM 81 CG1 VAL A 5 29.895 33.153 13.911 1.00 0.00 C ATOM 82 CG2 VAL A 5 29.978 31.445 12.102 1.00 0.00 C ATOM 0 H VAL A 5 28.111 33.616 10.304 1.00 0.00 H new ATOM 0 HA VAL A 5 27.551 32.049 12.765 1.00 0.00 H new ATOM 0 HB VAL A 5 29.987 33.592 11.801 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.978 33.104 14.022 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.547 34.150 14.183 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.430 32.415 14.565 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.060 31.378 12.214 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.499 30.729 12.769 1.00 0.00 H new ATOM 0 HG23 VAL A 5 29.706 31.219 11.071 1.00 0.00 H new ATOM 92 N LYS A 6 26.546 33.961 13.888 1.00 0.00 N ATOM 93 CA LYS A 6 25.920 35.056 14.615 1.00 0.00 C ATOM 94 C LYS A 6 26.692 35.359 15.901 1.00 0.00 C ATOM 95 O LYS A 6 26.642 34.588 16.859 1.00 0.00 O ATOM 96 CB LYS A 6 24.484 34.648 14.943 1.00 0.00 C ATOM 97 CG LYS A 6 23.644 35.873 15.284 1.00 0.00 C ATOM 98 CD LYS A 6 22.191 35.426 15.461 1.00 0.00 C ATOM 99 CE LYS A 6 21.295 36.636 15.723 1.00 0.00 C ATOM 100 NZ LYS A 6 21.600 37.196 17.069 1.00 0.00 N ATOM 0 H LYS A 6 26.223 33.034 14.165 1.00 0.00 H new ATOM 0 HA LYS A 6 25.926 35.959 14.004 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.046 34.125 14.093 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.480 33.952 15.782 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.011 36.342 16.197 1.00 0.00 H new ATOM 0 HG3 LYS A 6 23.718 36.617 14.491 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.853 34.901 14.568 1.00 0.00 H new ATOM 0 HD3 LYS A 6 22.118 34.723 16.291 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.456 37.394 14.957 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.246 36.344 15.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.865 37.882 17.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.623 36.426 17.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 22.525 37.671 17.046 1.00 0.00 H new ATOM 114 N THR A 7 27.409 36.481 15.912 1.00 0.00 N ATOM 115 CA THR A 7 28.193 36.866 17.086 1.00 0.00 C ATOM 116 C THR A 7 27.267 37.326 18.206 1.00 0.00 C ATOM 117 O THR A 7 26.081 37.562 17.977 1.00 0.00 O ATOM 118 CB THR A 7 29.171 37.986 16.723 1.00 0.00 C ATOM 119 OG1 THR A 7 28.444 39.157 16.388 1.00 0.00 O ATOM 120 CG2 THR A 7 30.035 37.555 15.532 1.00 0.00 C ATOM 0 H THR A 7 27.464 37.134 15.131 1.00 0.00 H new ATOM 0 HA THR A 7 28.760 36.000 17.428 1.00 0.00 H new ATOM 0 HB THR A 7 29.818 38.192 17.576 1.00 0.00 H new ATOM 0 HG1 THR A 7 27.597 38.906 15.964 1.00 0.00 H new ATOM 0 HG21 THR A 7 30.729 38.356 15.278 1.00 0.00 H new ATOM 0 HG22 THR A 7 30.596 36.658 15.795 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.395 37.344 14.675 1.00 0.00 H new ATOM 128 N LEU A 8 27.800 37.453 19.421 1.00 0.00 N ATOM 129 CA LEU A 8 26.985 37.882 20.553 1.00 0.00 C ATOM 130 C LEU A 8 26.772 39.392 20.540 1.00 0.00 C ATOM 131 O LEU A 8 25.776 39.888 21.067 1.00 0.00 O ATOM 132 CB LEU A 8 27.658 37.473 21.872 1.00 0.00 C ATOM 133 CG LEU A 8 26.635 37.526 23.026 1.00 0.00 C ATOM 134 CD1 LEU A 8 25.843 36.213 23.096 1.00 0.00 C ATOM 135 CD2 LEU A 8 27.365 37.737 24.358 1.00 0.00 C ATOM 0 H LEU A 8 28.778 37.268 19.643 1.00 0.00 H new ATOM 0 HA LEU A 8 26.014 37.395 20.469 1.00 0.00 H new ATOM 0 HB2 LEU A 8 28.067 36.467 21.784 1.00 0.00 H new ATOM 0 HB3 LEU A 8 28.494 38.139 22.085 1.00 0.00 H new ATOM 0 HG LEU A 8 25.950 38.354 22.843 1.00 0.00 H new ATOM 0 HD11 LEU A 8 25.125 36.264 23.915 1.00 0.00 H new ATOM 0 HD12 LEU A 8 25.312 36.058 22.157 1.00 0.00 H new ATOM 0 HD13 LEU A 8 26.529 35.383 23.266 1.00 0.00 H new ATOM 0 HD21 LEU A 8 26.638 37.774 25.169 1.00 0.00 H new ATOM 0 HD22 LEU A 8 28.057 36.912 24.528 1.00 0.00 H new ATOM 0 HD23 LEU A 8 27.919 38.675 24.325 1.00 0.00 H new ATOM 147 N THR A 9 27.708 40.121 19.942 1.00 0.00 N ATOM 148 CA THR A 9 27.594 41.573 19.884 1.00 0.00 C ATOM 149 C THR A 9 26.458 41.980 18.954 1.00 0.00 C ATOM 150 O THR A 9 26.081 43.149 18.893 1.00 0.00 O ATOM 151 CB THR A 9 28.907 42.190 19.392 1.00 0.00 C ATOM 152 OG1 THR A 9 29.975 41.748 20.218 1.00 0.00 O ATOM 153 CG2 THR A 9 28.814 43.716 19.447 1.00 0.00 C ATOM 0 H THR A 9 28.542 39.738 19.497 1.00 0.00 H new ATOM 0 HA THR A 9 27.381 41.940 20.888 1.00 0.00 H new ATOM 0 HB THR A 9 29.089 41.879 18.363 1.00 0.00 H new ATOM 0 HG1 THR A 9 30.816 42.141 19.903 1.00 0.00 H new ATOM 0 HG21 THR A 9 29.750 44.150 19.096 1.00 0.00 H new ATOM 0 HG22 THR A 9 27.996 44.054 18.811 1.00 0.00 H new ATOM 0 HG23 THR A 9 28.629 44.033 20.474 1.00 0.00 H new ATOM 161 N GLY A 10 25.911 41.006 18.230 1.00 0.00 N ATOM 162 CA GLY A 10 24.812 41.274 17.303 1.00 0.00 C ATOM 163 C GLY A 10 25.330 41.436 15.881 1.00 0.00 C ATOM 164 O GLY A 10 24.576 41.786 14.974 1.00 0.00 O ATOM 0 H GLY A 10 26.207 40.031 18.266 1.00 0.00 H new ATOM 0 HA2 GLY A 10 24.091 40.457 17.341 1.00 0.00 H new ATOM 0 HA3 GLY A 10 24.286 42.178 17.608 1.00 0.00 H new ATOM 168 N LYS A 11 26.616 41.149 15.680 1.00 0.00 N ATOM 169 CA LYS A 11 27.211 41.234 14.349 1.00 0.00 C ATOM 170 C LYS A 11 27.088 39.885 13.653 1.00 0.00 C ATOM 171 O LYS A 11 27.147 38.839 14.299 1.00 0.00 O ATOM 172 CB LYS A 11 28.687 41.635 14.451 1.00 0.00 C ATOM 173 CG LYS A 11 28.794 43.045 15.033 1.00 0.00 C ATOM 174 CD LYS A 11 30.268 43.439 15.159 1.00 0.00 C ATOM 175 CE LYS A 11 30.372 44.871 15.688 1.00 0.00 C ATOM 176 NZ LYS A 11 31.805 45.216 15.909 1.00 0.00 N ATOM 0 H LYS A 11 27.260 40.858 16.416 1.00 0.00 H new ATOM 0 HA LYS A 11 26.684 41.992 13.770 1.00 0.00 H new ATOM 0 HB2 LYS A 11 29.224 40.928 15.083 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.153 41.600 13.466 1.00 0.00 H new ATOM 0 HG2 LYS A 11 28.271 43.755 14.392 1.00 0.00 H new ATOM 0 HG3 LYS A 11 28.312 43.083 16.010 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.782 42.753 15.833 1.00 0.00 H new ATOM 0 HD3 LYS A 11 30.760 43.362 14.189 1.00 0.00 H new ATOM 0 HE2 LYS A 11 29.925 45.566 14.977 1.00 0.00 H new ATOM 0 HE3 LYS A 11 29.816 44.967 16.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.876 46.189 16.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 32.217 44.560 16.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 32.323 45.140 15.010 1.00 0.00 H new ATOM 190 N THR A 12 26.917 39.908 12.336 1.00 0.00 N ATOM 191 CA THR A 12 26.785 38.677 11.557 1.00 0.00 C ATOM 192 C THR A 12 27.861 38.614 10.480 1.00 0.00 C ATOM 193 O THR A 12 27.987 39.527 9.664 1.00 0.00 O ATOM 194 CB THR A 12 25.406 38.633 10.898 1.00 0.00 C ATOM 195 OG1 THR A 12 24.406 38.577 11.907 1.00 0.00 O ATOM 196 CG2 THR A 12 25.304 37.393 10.002 1.00 0.00 C ATOM 0 H THR A 12 26.866 40.764 11.783 1.00 0.00 H new ATOM 0 HA THR A 12 26.902 37.824 12.226 1.00 0.00 H new ATOM 0 HB THR A 12 25.262 39.527 10.291 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.520 38.550 11.489 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.321 37.363 9.533 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.073 37.437 9.231 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.446 36.496 10.605 1.00 0.00 H new ATOM 204 N ILE A 13 28.629 37.524 10.470 1.00 0.00 N ATOM 205 CA ILE A 13 29.689 37.346 9.474 1.00 0.00 C ATOM 206 C ILE A 13 29.618 35.944 8.880 1.00 0.00 C ATOM 207 O ILE A 13 29.473 34.956 9.599 1.00 0.00 O ATOM 208 CB ILE A 13 31.060 37.556 10.122 1.00 0.00 C ATOM 209 CG1 ILE A 13 32.145 37.582 9.038 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.335 36.412 11.101 1.00 0.00 C ATOM 211 CD1 ILE A 13 33.531 37.605 9.692 1.00 0.00 C ATOM 0 H ILE A 13 28.539 36.756 11.135 1.00 0.00 H new ATOM 0 HA ILE A 13 29.549 38.081 8.681 1.00 0.00 H new ATOM 0 HB ILE A 13 31.069 38.505 10.658 1.00 0.00 H new ATOM 0 HG12 ILE A 13 32.051 36.707 8.395 1.00 0.00 H new ATOM 0 HG13 ILE A 13 32.017 38.459 8.404 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.310 36.557 11.565 1.00 0.00 H new ATOM 0 HG22 ILE A 13 30.564 36.400 11.872 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.326 35.464 10.564 1.00 0.00 H new ATOM 0 HD11 ILE A 13 34.298 37.623 8.918 1.00 0.00 H new ATOM 0 HD12 ILE A 13 33.624 38.494 10.316 1.00 0.00 H new ATOM 0 HD13 ILE A 13 33.658 36.714 10.307 1.00 0.00 H new ATOM 223 N THR A 14 29.693 35.872 7.560 1.00 0.00 N ATOM 224 CA THR A 14 29.609 34.592 6.865 1.00 0.00 C ATOM 225 C THR A 14 30.963 33.888 6.838 1.00 0.00 C ATOM 226 O THR A 14 32.013 34.524 6.748 1.00 0.00 O ATOM 227 CB THR A 14 29.105 34.811 5.437 1.00 0.00 C ATOM 228 OG1 THR A 14 27.906 35.575 5.479 1.00 0.00 O ATOM 229 CG2 THR A 14 28.819 33.456 4.774 1.00 0.00 C ATOM 0 H THR A 14 29.811 36.680 6.949 1.00 0.00 H new ATOM 0 HA THR A 14 28.908 33.955 7.405 1.00 0.00 H new ATOM 0 HB THR A 14 29.864 35.341 4.861 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.139 34.974 5.581 1.00 0.00 H new ATOM 0 HG21 THR A 14 28.460 33.617 3.757 1.00 0.00 H new ATOM 0 HG22 THR A 14 29.734 32.864 4.747 1.00 0.00 H new ATOM 0 HG23 THR A 14 28.059 32.924 5.347 1.00 0.00 H new ATOM 237 N LEU A 15 30.910 32.562 6.938 1.00 0.00 N ATOM 238 CA LEU A 15 32.107 31.721 6.949 1.00 0.00 C ATOM 239 C LEU A 15 32.064 30.710 5.800 1.00 0.00 C ATOM 240 O LEU A 15 31.071 30.005 5.618 1.00 0.00 O ATOM 241 CB LEU A 15 32.165 30.970 8.304 1.00 0.00 C ATOM 242 CG LEU A 15 33.565 31.062 8.935 1.00 0.00 C ATOM 243 CD1 LEU A 15 33.746 32.434 9.592 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.712 29.965 9.997 1.00 0.00 C ATOM 0 H LEU A 15 30.037 32.039 7.014 1.00 0.00 H new ATOM 0 HA LEU A 15 32.992 32.345 6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.427 31.391 8.987 1.00 0.00 H new ATOM 0 HB3 LEU A 15 31.900 29.924 8.154 1.00 0.00 H new ATOM 0 HG LEU A 15 34.322 30.931 8.162 1.00 0.00 H new ATOM 0 HD11 LEU A 15 34.739 32.496 10.038 1.00 0.00 H new ATOM 0 HD12 LEU A 15 33.637 33.215 8.839 1.00 0.00 H new ATOM 0 HD13 LEU A 15 32.991 32.569 10.367 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.703 30.025 10.448 1.00 0.00 H new ATOM 0 HD22 LEU A 15 32.954 30.101 10.768 1.00 0.00 H new ATOM 0 HD23 LEU A 15 33.584 28.988 9.531 1.00 0.00 H new ATOM 256 N GLU A 16 33.157 30.622 5.055 1.00 0.00 N ATOM 257 CA GLU A 16 33.252 29.663 3.953 1.00 0.00 C ATOM 258 C GLU A 16 34.052 28.454 4.424 1.00 0.00 C ATOM 259 O GLU A 16 35.176 28.604 4.902 1.00 0.00 O ATOM 260 CB GLU A 16 33.942 30.298 2.741 1.00 0.00 C ATOM 261 CG GLU A 16 33.774 29.384 1.524 1.00 0.00 C ATOM 262 CD GLU A 16 34.516 29.968 0.326 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.350 30.833 0.537 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.239 29.543 -0.784 1.00 0.00 O ATOM 0 H GLU A 16 33.988 31.198 5.189 1.00 0.00 H new ATOM 0 HA GLU A 16 32.249 29.358 3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.512 31.278 2.536 1.00 0.00 H new ATOM 0 HB3 GLU A 16 35.000 30.452 2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 16 34.158 28.389 1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 16 32.716 29.271 1.287 1.00 0.00 H new ATOM 271 N VAL A 17 33.479 27.260 4.287 1.00 0.00 N ATOM 272 CA VAL A 17 34.173 26.041 4.712 1.00 0.00 C ATOM 273 C VAL A 17 33.660 24.830 3.946 1.00 0.00 C ATOM 274 O VAL A 17 32.710 24.912 3.170 1.00 0.00 O ATOM 275 CB VAL A 17 33.999 25.832 6.228 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.516 25.668 6.585 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.766 24.591 6.720 1.00 0.00 C ATOM 0 H VAL A 17 32.551 27.108 3.892 1.00 0.00 H new ATOM 0 HA VAL A 17 35.234 26.156 4.492 1.00 0.00 H new ATOM 0 HB VAL A 17 34.404 26.717 6.720 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.415 25.521 7.660 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.969 26.563 6.288 1.00 0.00 H new ATOM 0 HG13 VAL A 17 32.109 24.803 6.061 1.00 0.00 H new ATOM 0 HG21 VAL A 17 34.620 24.475 7.794 1.00 0.00 H new ATOM 0 HG22 VAL A 17 34.393 23.705 6.206 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.828 24.713 6.509 1.00 0.00 H new ATOM 287 N GLU A 18 34.296 23.710 4.208 1.00 0.00 N ATOM 288 CA GLU A 18 33.922 22.433 3.592 1.00 0.00 C ATOM 289 C GLU A 18 32.994 21.665 4.542 1.00 0.00 C ATOM 290 O GLU A 18 33.225 21.664 5.750 1.00 0.00 O ATOM 291 CB GLU A 18 35.170 21.592 3.307 1.00 0.00 C ATOM 292 CG GLU A 18 36.011 22.280 2.230 1.00 0.00 C ATOM 293 CD GLU A 18 36.621 23.562 2.787 1.00 0.00 C ATOM 294 OE1 GLU A 18 35.974 24.592 2.691 1.00 0.00 O ATOM 295 OE2 GLU A 18 37.725 23.495 3.299 1.00 0.00 O ATOM 0 H GLU A 18 35.086 23.647 4.850 1.00 0.00 H new ATOM 0 HA GLU A 18 33.409 22.630 2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 18 35.755 21.470 4.218 1.00 0.00 H new ATOM 0 HB3 GLU A 18 34.882 20.594 2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 18 36.800 21.610 1.889 1.00 0.00 H new ATOM 0 HG3 GLU A 18 35.391 22.509 1.363 1.00 0.00 H new ATOM 302 N PRO A 19 31.958 21.018 4.050 1.00 0.00 N ATOM 303 CA PRO A 19 31.010 20.269 4.932 1.00 0.00 C ATOM 304 C PRO A 19 31.656 19.035 5.557 1.00 0.00 C ATOM 305 O PRO A 19 31.018 18.310 6.320 1.00 0.00 O ATOM 306 CB PRO A 19 29.858 19.884 3.992 1.00 0.00 C ATOM 307 CG PRO A 19 30.472 19.839 2.630 1.00 0.00 C ATOM 308 CD PRO A 19 31.572 20.909 2.628 1.00 0.00 C ATOM 0 HA PRO A 19 30.681 20.868 5.781 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.431 18.919 4.265 1.00 0.00 H new ATOM 0 HB3 PRO A 19 29.050 20.614 4.037 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.886 18.853 2.421 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.728 20.042 1.860 1.00 0.00 H new ATOM 0 HD2 PRO A 19 32.417 20.614 2.005 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.206 21.859 2.239 1.00 0.00 H new ATOM 316 N SER A 20 32.926 18.803 5.232 1.00 0.00 N ATOM 317 CA SER A 20 33.652 17.653 5.767 1.00 0.00 C ATOM 318 C SER A 20 34.635 18.096 6.848 1.00 0.00 C ATOM 319 O SER A 20 35.019 17.303 7.707 1.00 0.00 O ATOM 320 CB SER A 20 34.408 16.949 4.641 1.00 0.00 C ATOM 321 OG SER A 20 35.404 17.819 4.124 1.00 0.00 O ATOM 0 H SER A 20 33.472 19.393 4.604 1.00 0.00 H new ATOM 0 HA SER A 20 32.933 16.963 6.209 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.867 16.034 5.014 1.00 0.00 H new ATOM 0 HB3 SER A 20 33.717 16.659 3.850 1.00 0.00 H new ATOM 0 HG SER A 20 35.890 17.368 3.403 1.00 0.00 H new ATOM 327 N ASP A 21 35.040 19.364 6.801 1.00 0.00 N ATOM 328 CA ASP A 21 35.973 19.891 7.774 1.00 0.00 C ATOM 329 C ASP A 21 35.481 19.613 9.188 1.00 0.00 C ATOM 330 O ASP A 21 34.274 19.494 9.432 1.00 0.00 O ATOM 331 CB ASP A 21 36.114 21.403 7.561 1.00 0.00 C ATOM 332 CG ASP A 21 37.094 21.702 6.429 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.486 20.768 5.750 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.433 22.861 6.259 1.00 0.00 O ATOM 0 H ASP A 21 34.733 20.037 6.099 1.00 0.00 H new ATOM 0 HA ASP A 21 36.940 19.406 7.644 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.140 21.834 7.329 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.460 21.874 8.481 1.00 0.00 H new ATOM 339 N THR A 22 36.423 19.523 10.120 1.00 0.00 N ATOM 340 CA THR A 22 36.080 19.279 11.508 1.00 0.00 C ATOM 341 C THR A 22 35.695 20.585 12.197 1.00 0.00 C ATOM 342 O THR A 22 35.739 21.670 11.599 1.00 0.00 O ATOM 343 CB THR A 22 37.260 18.635 12.242 1.00 0.00 C ATOM 344 OG1 THR A 22 38.326 19.569 12.331 1.00 0.00 O ATOM 345 CG2 THR A 22 37.723 17.395 11.476 1.00 0.00 C ATOM 0 H THR A 22 37.422 19.615 9.938 1.00 0.00 H new ATOM 0 HA THR A 22 35.229 18.598 11.538 1.00 0.00 H new ATOM 0 HB THR A 22 36.950 18.343 13.245 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.081 19.159 12.802 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.563 16.937 11.999 1.00 0.00 H new ATOM 0 HG22 THR A 22 36.903 16.680 11.411 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.034 17.683 10.472 1.00 0.00 H new ATOM 353 N ILE A 23 35.339 20.484 13.464 1.00 0.00 N ATOM 354 CA ILE A 23 34.977 21.676 14.220 1.00 0.00 C ATOM 355 C ILE A 23 36.229 22.490 14.519 1.00 0.00 C ATOM 356 O ILE A 23 36.243 23.707 14.351 1.00 0.00 O ATOM 357 CB ILE A 23 34.260 21.294 15.519 1.00 0.00 C ATOM 358 CG1 ILE A 23 33.205 20.220 15.227 1.00 0.00 C ATOM 359 CG2 ILE A 23 33.571 22.527 16.113 1.00 0.00 C ATOM 360 CD1 ILE A 23 32.365 20.615 14.007 1.00 0.00 C ATOM 0 H ILE A 23 35.292 19.609 13.986 1.00 0.00 H new ATOM 0 HA ILE A 23 34.293 22.281 13.624 1.00 0.00 H new ATOM 0 HB ILE A 23 34.991 20.908 16.229 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.692 19.262 15.046 1.00 0.00 H new ATOM 0 HG13 ILE A 23 32.559 20.090 16.095 1.00 0.00 H new ATOM 0 HG21 ILE A 23 33.063 22.250 17.037 1.00 0.00 H new ATOM 0 HG22 ILE A 23 34.316 23.294 16.325 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.843 22.916 15.401 1.00 0.00 H new ATOM 0 HD11 ILE A 23 31.621 19.843 13.812 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.863 21.562 14.202 1.00 0.00 H new ATOM 0 HD13 ILE A 23 33.014 20.721 13.137 1.00 0.00 H new ATOM 372 N GLU A 24 37.294 21.808 14.931 1.00 0.00 N ATOM 373 CA GLU A 24 38.556 22.485 15.221 1.00 0.00 C ATOM 374 C GLU A 24 38.885 23.460 14.097 1.00 0.00 C ATOM 375 O GLU A 24 39.526 24.490 14.311 1.00 0.00 O ATOM 376 CB GLU A 24 39.689 21.464 15.353 1.00 0.00 C ATOM 377 CG GLU A 24 39.299 20.388 16.366 1.00 0.00 C ATOM 378 CD GLU A 24 39.258 20.982 17.769 1.00 0.00 C ATOM 379 OE1 GLU A 24 39.822 22.048 17.957 1.00 0.00 O ATOM 380 OE2 GLU A 24 38.661 20.365 18.635 1.00 0.00 O ATOM 0 H GLU A 24 37.310 20.798 15.071 1.00 0.00 H new ATOM 0 HA GLU A 24 38.454 23.027 16.161 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.895 21.008 14.385 1.00 0.00 H new ATOM 0 HB3 GLU A 24 40.605 21.962 15.672 1.00 0.00 H new ATOM 0 HG2 GLU A 24 38.325 19.972 16.110 1.00 0.00 H new ATOM 0 HG3 GLU A 24 40.015 19.567 16.331 1.00 0.00 H new ATOM 387 N ASN A 25 38.411 23.135 12.901 1.00 0.00 N ATOM 388 CA ASN A 25 38.636 23.999 11.747 1.00 0.00 C ATOM 389 C ASN A 25 37.780 25.249 11.882 1.00 0.00 C ATOM 390 O ASN A 25 38.297 26.359 12.000 1.00 0.00 O ATOM 391 CB ASN A 25 38.282 23.274 10.448 1.00 0.00 C ATOM 392 CG ASN A 25 38.777 24.083 9.251 1.00 0.00 C ATOM 393 OD1 ASN A 25 37.984 24.729 8.566 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.049 24.089 8.960 1.00 0.00 N ATOM 0 H ASN A 25 37.874 22.290 12.705 1.00 0.00 H new ATOM 0 HA ASN A 25 39.691 24.271 11.713 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.734 22.282 10.440 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.203 23.133 10.382 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.388 24.630 8.164 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.705 23.553 9.529 1.00 0.00 H new ATOM 401 N VAL A 26 36.464 25.064 11.864 1.00 0.00 N ATOM 402 CA VAL A 26 35.546 26.196 11.991 1.00 0.00 C ATOM 403 C VAL A 26 35.998 27.121 13.109 1.00 0.00 C ATOM 404 O VAL A 26 35.781 28.333 13.061 1.00 0.00 O ATOM 405 CB VAL A 26 34.140 25.688 12.288 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.175 26.869 12.407 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.706 24.784 11.153 1.00 0.00 C ATOM 0 H VAL A 26 36.012 24.155 11.764 1.00 0.00 H new ATOM 0 HA VAL A 26 35.543 26.750 11.053 1.00 0.00 H new ATOM 0 HB VAL A 26 34.134 25.136 13.228 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.172 26.499 12.619 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.499 27.524 13.216 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.165 27.427 11.471 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.701 24.411 11.349 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.709 25.346 10.219 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.396 23.944 11.073 1.00 0.00 H new ATOM 417 N LYS A 27 36.652 26.538 14.099 1.00 0.00 N ATOM 418 CA LYS A 27 37.159 27.308 15.222 1.00 0.00 C ATOM 419 C LYS A 27 38.367 28.112 14.781 1.00 0.00 C ATOM 420 O LYS A 27 38.457 29.313 15.032 1.00 0.00 O ATOM 421 CB LYS A 27 37.557 26.367 16.364 1.00 0.00 C ATOM 422 CG LYS A 27 36.306 25.686 16.936 1.00 0.00 C ATOM 423 CD LYS A 27 36.601 25.150 18.338 1.00 0.00 C ATOM 424 CE LYS A 27 35.363 24.431 18.879 1.00 0.00 C ATOM 425 NZ LYS A 27 35.581 24.075 20.310 1.00 0.00 N ATOM 0 H LYS A 27 36.844 25.537 14.148 1.00 0.00 H new ATOM 0 HA LYS A 27 36.380 27.984 15.573 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.258 25.615 16.001 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.068 26.927 17.147 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.480 26.396 16.975 1.00 0.00 H new ATOM 0 HG3 LYS A 27 35.995 24.870 16.283 1.00 0.00 H new ATOM 0 HD2 LYS A 27 37.448 24.465 18.306 1.00 0.00 H new ATOM 0 HD3 LYS A 27 36.878 25.969 19.001 1.00 0.00 H new ATOM 0 HE2 LYS A 27 34.486 25.071 18.782 1.00 0.00 H new ATOM 0 HE3 LYS A 27 35.167 23.532 18.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 35.383 23.064 20.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 36.568 24.274 20.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 34.944 24.638 20.909 1.00 0.00 H new ATOM 439 N ALA A 28 39.295 27.435 14.120 1.00 0.00 N ATOM 440 CA ALA A 28 40.505 28.078 13.640 1.00 0.00 C ATOM 441 C ALA A 28 40.163 29.304 12.796 1.00 0.00 C ATOM 442 O ALA A 28 40.866 30.313 12.843 1.00 0.00 O ATOM 443 CB ALA A 28 41.303 27.075 12.805 1.00 0.00 C ATOM 0 H ALA A 28 39.231 26.440 13.905 1.00 0.00 H new ATOM 0 HA ALA A 28 41.100 28.406 14.492 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.214 27.549 12.440 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.564 26.214 13.421 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.701 26.746 11.958 1.00 0.00 H new ATOM 449 N LYS A 29 39.072 29.214 12.045 1.00 0.00 N ATOM 450 CA LYS A 29 38.645 30.338 11.215 1.00 0.00 C ATOM 451 C LYS A 29 38.203 31.504 12.101 1.00 0.00 C ATOM 452 O LYS A 29 38.812 32.574 12.087 1.00 0.00 O ATOM 453 CB LYS A 29 37.502 29.910 10.289 1.00 0.00 C ATOM 454 CG LYS A 29 38.077 29.149 9.081 1.00 0.00 C ATOM 455 CD LYS A 29 36.993 28.279 8.455 1.00 0.00 C ATOM 456 CE LYS A 29 37.597 27.439 7.328 1.00 0.00 C ATOM 457 NZ LYS A 29 37.972 28.327 6.192 1.00 0.00 N ATOM 0 H LYS A 29 38.474 28.389 11.992 1.00 0.00 H new ATOM 0 HA LYS A 29 39.485 30.662 10.601 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.799 29.277 10.830 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.947 30.785 9.950 1.00 0.00 H new ATOM 0 HG2 LYS A 29 38.460 29.855 8.344 1.00 0.00 H new ATOM 0 HG3 LYS A 29 38.917 28.529 9.396 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.553 27.629 9.211 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.190 28.905 8.066 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.475 26.903 7.690 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.880 26.688 6.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.255 27.747 5.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.158 28.918 5.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.765 28.937 6.475 1.00 0.00 H new ATOM 471 N ILE A 30 37.128 31.295 12.854 1.00 0.00 N ATOM 472 CA ILE A 30 36.600 32.325 13.729 1.00 0.00 C ATOM 473 C ILE A 30 37.702 32.903 14.624 1.00 0.00 C ATOM 474 O ILE A 30 37.750 34.110 14.854 1.00 0.00 O ATOM 475 CB ILE A 30 35.482 31.713 14.582 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.239 31.486 13.709 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.124 32.656 15.729 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.285 30.526 14.423 1.00 0.00 C ATOM 0 H ILE A 30 36.607 30.418 12.873 1.00 0.00 H new ATOM 0 HA ILE A 30 36.204 33.144 13.128 1.00 0.00 H new ATOM 0 HB ILE A 30 35.826 30.763 14.991 1.00 0.00 H new ATOM 0 HG12 ILE A 30 33.739 32.435 13.515 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.530 31.075 12.742 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.329 32.213 16.329 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.002 32.819 16.353 1.00 0.00 H new ATOM 0 HG23 ILE A 30 34.784 33.609 15.324 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.402 30.364 13.805 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.788 29.574 14.595 1.00 0.00 H new ATOM 0 HD13 ILE A 30 32.985 30.955 15.379 1.00 0.00 H new ATOM 490 N GLN A 31 38.577 32.040 15.130 1.00 0.00 N ATOM 491 CA GLN A 31 39.657 32.496 15.999 1.00 0.00 C ATOM 492 C GLN A 31 40.499 33.554 15.289 1.00 0.00 C ATOM 493 O GLN A 31 40.617 34.689 15.751 1.00 0.00 O ATOM 494 CB GLN A 31 40.553 31.315 16.392 1.00 0.00 C ATOM 495 CG GLN A 31 41.746 31.822 17.211 1.00 0.00 C ATOM 496 CD GLN A 31 42.478 30.647 17.853 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.244 29.434 17.432 1.00 0.00 O flip ATOM 498 NE2 GLN A 31 43.285 30.841 18.761 1.00 0.00 N flip ATOM 0 H GLN A 31 38.561 31.035 14.957 1.00 0.00 H new ATOM 0 HA GLN A 31 39.216 32.931 16.896 1.00 0.00 H new ATOM 0 HB2 GLN A 31 39.982 30.591 16.973 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.906 30.800 15.498 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.428 32.378 16.568 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.401 32.511 17.982 1.00 0.00 H new ATOM 0 HE21 GLN A 31 43.466 31.790 19.088 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.773 30.053 19.187 1.00 0.00 H new ATOM 507 N ASP A 32 41.094 33.153 14.178 1.00 0.00 N ATOM 508 CA ASP A 32 41.950 34.051 13.412 1.00 0.00 C ATOM 509 C ASP A 32 41.267 35.397 13.146 1.00 0.00 C ATOM 510 O ASP A 32 41.929 36.433 13.116 1.00 0.00 O ATOM 511 CB ASP A 32 42.336 33.394 12.082 1.00 0.00 C ATOM 512 CG ASP A 32 43.310 34.288 11.323 1.00 0.00 C ATOM 513 OD1 ASP A 32 44.479 34.290 11.673 1.00 0.00 O ATOM 514 OD2 ASP A 32 42.872 34.961 10.404 1.00 0.00 O ATOM 0 H ASP A 32 41.002 32.216 13.785 1.00 0.00 H new ATOM 0 HA ASP A 32 42.845 34.242 14.004 1.00 0.00 H new ATOM 0 HB2 ASP A 32 42.791 32.421 12.266 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.444 33.220 11.480 1.00 0.00 H new ATOM 519 N LYS A 33 39.951 35.381 12.925 1.00 0.00 N ATOM 520 CA LYS A 33 39.220 36.618 12.632 1.00 0.00 C ATOM 521 C LYS A 33 38.862 37.429 13.886 1.00 0.00 C ATOM 522 O LYS A 33 38.895 38.658 13.852 1.00 0.00 O ATOM 523 CB LYS A 33 37.932 36.303 11.878 1.00 0.00 C ATOM 524 CG LYS A 33 38.246 35.520 10.602 1.00 0.00 C ATOM 525 CD LYS A 33 36.939 35.006 9.995 1.00 0.00 C ATOM 526 CE LYS A 33 37.234 34.225 8.711 1.00 0.00 C ATOM 527 NZ LYS A 33 37.754 35.155 7.670 1.00 0.00 N ATOM 0 H LYS A 33 39.375 34.539 12.942 1.00 0.00 H new ATOM 0 HA LYS A 33 39.893 37.224 12.025 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.262 35.724 12.514 1.00 0.00 H new ATOM 0 HB3 LYS A 33 37.413 37.228 11.627 1.00 0.00 H new ATOM 0 HG2 LYS A 33 38.767 36.158 9.888 1.00 0.00 H new ATOM 0 HG3 LYS A 33 38.910 34.685 10.827 1.00 0.00 H new ATOM 0 HD2 LYS A 33 36.422 34.366 10.710 1.00 0.00 H new ATOM 0 HD3 LYS A 33 36.275 35.842 9.778 1.00 0.00 H new ATOM 0 HE2 LYS A 33 37.964 33.441 8.910 1.00 0.00 H new ATOM 0 HE3 LYS A 33 36.328 33.734 8.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 37.683 34.705 6.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 37.193 36.031 7.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 38.749 35.380 7.871 1.00 0.00 H new ATOM 541 N GLU A 34 38.471 36.754 14.975 1.00 0.00 N ATOM 542 CA GLU A 34 38.057 37.461 16.202 1.00 0.00 C ATOM 543 C GLU A 34 39.071 37.334 17.341 1.00 0.00 C ATOM 544 O GLU A 34 38.831 37.834 18.438 1.00 0.00 O ATOM 545 CB GLU A 34 36.709 36.907 16.680 1.00 0.00 C ATOM 546 CG GLU A 34 35.671 37.032 15.564 1.00 0.00 C ATOM 547 CD GLU A 34 34.273 36.802 16.131 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.115 35.876 16.910 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.380 37.557 15.780 1.00 0.00 O ATOM 0 H GLU A 34 38.431 35.737 15.036 1.00 0.00 H new ATOM 0 HA GLU A 34 37.983 38.518 15.945 1.00 0.00 H new ATOM 0 HB2 GLU A 34 36.818 35.863 16.972 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.374 37.452 17.563 1.00 0.00 H new ATOM 0 HG2 GLU A 34 35.731 38.020 15.108 1.00 0.00 H new ATOM 0 HG3 GLU A 34 35.879 36.306 14.778 1.00 0.00 H new ATOM 556 N GLY A 35 40.217 36.720 17.086 1.00 0.00 N ATOM 557 CA GLY A 35 41.243 36.600 18.120 1.00 0.00 C ATOM 558 C GLY A 35 40.727 35.917 19.392 1.00 0.00 C ATOM 559 O GLY A 35 41.328 36.055 20.457 1.00 0.00 O ATOM 0 H GLY A 35 40.461 36.302 16.188 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.086 36.033 17.725 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.616 37.593 18.372 1.00 0.00 H new ATOM 563 N ILE A 36 39.618 35.184 19.286 1.00 0.00 N ATOM 564 CA ILE A 36 39.049 34.496 20.443 1.00 0.00 C ATOM 565 C ILE A 36 39.656 33.089 20.591 1.00 0.00 C ATOM 566 O ILE A 36 39.674 32.329 19.623 1.00 0.00 O ATOM 567 CB ILE A 36 37.543 34.377 20.253 1.00 0.00 C ATOM 568 CG1 ILE A 36 36.978 35.776 20.037 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.918 33.755 21.497 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.473 35.699 19.826 1.00 0.00 C ATOM 0 H ILE A 36 39.100 35.052 18.417 1.00 0.00 H new ATOM 0 HA ILE A 36 39.274 35.068 21.343 1.00 0.00 H new ATOM 0 HB ILE A 36 37.319 33.745 19.394 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.202 36.405 20.899 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.452 36.240 19.172 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.840 33.671 21.359 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.342 32.764 21.660 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.125 34.385 22.362 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.075 36.702 19.672 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.259 35.086 18.951 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.005 35.254 20.704 1.00 0.00 H new ATOM 582 N PRO A 37 40.146 32.712 21.761 1.00 0.00 N ATOM 583 CA PRO A 37 40.742 31.358 21.960 1.00 0.00 C ATOM 584 C PRO A 37 39.661 30.262 22.077 1.00 0.00 C ATOM 585 O PRO A 37 38.700 30.420 22.832 1.00 0.00 O ATOM 586 CB PRO A 37 41.522 31.499 23.272 1.00 0.00 C ATOM 587 CG PRO A 37 40.785 32.542 24.043 1.00 0.00 C ATOM 588 CD PRO A 37 40.199 33.509 23.002 1.00 0.00 C ATOM 0 HA PRO A 37 41.364 31.053 21.119 1.00 0.00 H new ATOM 0 HB2 PRO A 37 41.555 30.555 23.816 1.00 0.00 H new ATOM 0 HB3 PRO A 37 42.554 31.798 23.089 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.996 32.095 24.647 1.00 0.00 H new ATOM 0 HG3 PRO A 37 41.453 33.065 24.728 1.00 0.00 H new ATOM 0 HD2 PRO A 37 39.209 33.858 23.295 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.825 34.393 22.882 1.00 0.00 H new ATOM 596 N PRO A 38 39.790 29.162 21.362 1.00 0.00 N ATOM 597 CA PRO A 38 38.798 28.045 21.418 1.00 0.00 C ATOM 598 C PRO A 38 38.320 27.741 22.840 1.00 0.00 C ATOM 599 O PRO A 38 37.245 27.172 23.033 1.00 0.00 O ATOM 600 CB PRO A 38 39.568 26.862 20.834 1.00 0.00 C ATOM 601 CG PRO A 38 40.514 27.473 19.860 1.00 0.00 C ATOM 602 CD PRO A 38 40.880 28.855 20.418 1.00 0.00 C ATOM 0 HA PRO A 38 37.885 28.286 20.874 1.00 0.00 H new ATOM 0 HB2 PRO A 38 40.099 26.312 21.611 1.00 0.00 H new ATOM 0 HB3 PRO A 38 38.898 26.155 20.345 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.403 26.854 19.742 1.00 0.00 H new ATOM 0 HG3 PRO A 38 40.054 27.561 18.876 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.848 28.839 20.919 1.00 0.00 H new ATOM 0 HD3 PRO A 38 40.943 29.601 19.626 1.00 0.00 H new ATOM 610 N ASP A 39 39.125 28.112 23.833 1.00 0.00 N ATOM 611 CA ASP A 39 38.764 27.859 25.226 1.00 0.00 C ATOM 612 C ASP A 39 37.641 28.781 25.680 1.00 0.00 C ATOM 613 O ASP A 39 36.739 28.366 26.407 1.00 0.00 O ATOM 614 CB ASP A 39 39.982 28.063 26.129 1.00 0.00 C ATOM 615 CG ASP A 39 41.026 26.988 25.851 1.00 0.00 C ATOM 616 OD1 ASP A 39 40.669 25.822 25.875 1.00 0.00 O ATOM 617 OD2 ASP A 39 42.169 27.347 25.616 1.00 0.00 O ATOM 0 H ASP A 39 40.020 28.583 23.702 1.00 0.00 H new ATOM 0 HA ASP A 39 38.419 26.828 25.299 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.411 29.050 25.957 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.679 28.025 27.175 1.00 0.00 H new ATOM 622 N GLN A 40 37.708 30.037 25.259 1.00 0.00 N ATOM 623 CA GLN A 40 36.697 31.018 25.647 1.00 0.00 C ATOM 624 C GLN A 40 35.480 30.961 24.732 1.00 0.00 C ATOM 625 O GLN A 40 34.409 31.444 25.100 1.00 0.00 O ATOM 626 CB GLN A 40 37.284 32.429 25.605 1.00 0.00 C ATOM 627 CG GLN A 40 38.331 32.576 26.712 1.00 0.00 C ATOM 628 CD GLN A 40 37.641 32.715 28.066 1.00 0.00 C ATOM 629 OE1 GLN A 40 36.764 33.562 28.233 1.00 0.00 O ATOM 630 NE2 GLN A 40 37.988 31.929 29.048 1.00 0.00 N ATOM 0 H GLN A 40 38.444 30.401 24.654 1.00 0.00 H new ATOM 0 HA GLN A 40 36.382 30.775 26.662 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.738 32.617 24.632 1.00 0.00 H new ATOM 0 HB3 GLN A 40 36.494 33.168 25.736 1.00 0.00 H new ATOM 0 HG2 GLN A 40 38.991 31.708 26.718 1.00 0.00 H new ATOM 0 HG3 GLN A 40 38.955 33.449 26.521 1.00 0.00 H new ATOM 0 HE21 GLN A 40 38.715 31.228 28.907 1.00 0.00 H new ATOM 0 HE22 GLN A 40 37.532 32.016 29.956 1.00 0.00 H new ATOM 639 N GLN A 41 35.632 30.383 23.533 1.00 0.00 N ATOM 640 CA GLN A 41 34.528 30.297 22.589 1.00 0.00 C ATOM 641 C GLN A 41 33.788 28.969 22.712 1.00 0.00 C ATOM 642 O GLN A 41 34.400 27.904 22.817 1.00 0.00 O ATOM 643 CB GLN A 41 35.078 30.445 21.162 1.00 0.00 C ATOM 644 CG GLN A 41 33.982 30.127 20.148 1.00 0.00 C ATOM 645 CD GLN A 41 34.395 30.615 18.766 1.00 0.00 C ATOM 646 OE1 GLN A 41 34.195 31.782 18.435 1.00 0.00 O ATOM 647 NE2 GLN A 41 34.965 29.789 17.933 1.00 0.00 N ATOM 0 H GLN A 41 36.505 29.973 23.202 1.00 0.00 H new ATOM 0 HA GLN A 41 33.822 31.097 22.812 1.00 0.00 H new ATOM 0 HB2 GLN A 41 35.445 31.460 21.008 1.00 0.00 H new ATOM 0 HB3 GLN A 41 35.925 29.774 21.018 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.798 29.053 20.124 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.049 30.604 20.447 1.00 0.00 H new ATOM 0 HE21 GLN A 41 35.131 28.821 18.208 1.00 0.00 H new ATOM 0 HE22 GLN A 41 35.245 30.111 17.007 1.00 0.00 H new ATOM 656 N ARG A 42 32.460 29.053 22.668 1.00 0.00 N ATOM 657 CA ARG A 42 31.596 27.883 22.743 1.00 0.00 C ATOM 658 C ARG A 42 30.618 27.953 21.578 1.00 0.00 C ATOM 659 O ARG A 42 29.942 28.967 21.394 1.00 0.00 O ATOM 660 CB ARG A 42 30.821 27.887 24.065 1.00 0.00 C ATOM 661 CG ARG A 42 31.789 27.731 25.253 1.00 0.00 C ATOM 662 CD ARG A 42 32.059 26.246 25.524 1.00 0.00 C ATOM 663 NE ARG A 42 32.979 26.096 26.647 1.00 0.00 N ATOM 664 CZ ARG A 42 33.067 24.947 27.312 1.00 0.00 C ATOM 665 NH1 ARG A 42 33.903 24.833 28.308 1.00 0.00 N ATOM 666 NH2 ARG A 42 32.315 23.936 26.973 1.00 0.00 N ATOM 0 H ARG A 42 31.955 29.935 22.579 1.00 0.00 H new ATOM 0 HA ARG A 42 32.190 26.971 22.694 1.00 0.00 H new ATOM 0 HB2 ARG A 42 30.261 28.817 24.163 1.00 0.00 H new ATOM 0 HB3 ARG A 42 30.094 27.075 24.071 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.726 28.245 25.038 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.365 28.199 26.141 1.00 0.00 H new ATOM 0 HD2 ARG A 42 31.122 25.733 25.741 1.00 0.00 H new ATOM 0 HD3 ARG A 42 32.480 25.778 24.635 1.00 0.00 H new ATOM 0 HE ARG A 42 33.563 26.884 26.926 1.00 0.00 H new ATOM 0 HH11 ARG A 42 34.488 25.624 28.576 1.00 0.00 H new ATOM 0 HH12 ARG A 42 33.971 23.953 28.818 1.00 0.00 H new ATOM 0 HH21 ARG A 42 31.659 24.026 26.197 1.00 0.00 H new ATOM 0 HH22 ARG A 42 32.383 23.056 27.484 1.00 0.00 H new ATOM 680 N LEU A 43 30.553 26.895 20.773 1.00 0.00 N ATOM 681 CA LEU A 43 29.654 26.883 19.616 1.00 0.00 C ATOM 682 C LEU A 43 28.366 26.130 19.924 1.00 0.00 C ATOM 683 O LEU A 43 28.382 24.930 20.224 1.00 0.00 O ATOM 684 CB LEU A 43 30.342 26.231 18.424 1.00 0.00 C ATOM 685 CG LEU A 43 31.719 26.852 18.191 1.00 0.00 C ATOM 686 CD1 LEU A 43 32.286 26.280 16.897 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.599 28.375 18.060 1.00 0.00 C ATOM 0 H LEU A 43 31.103 26.045 20.895 1.00 0.00 H new ATOM 0 HA LEU A 43 29.405 27.918 19.379 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.445 25.160 18.598 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.727 26.351 17.532 1.00 0.00 H new ATOM 0 HG LEU A 43 32.373 26.624 19.033 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.270 26.710 16.710 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.374 25.197 16.985 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.620 26.524 16.069 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.587 28.805 17.894 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.952 28.618 17.217 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.173 28.786 18.975 1.00 0.00 H new ATOM 699 N ILE A 44 27.248 26.847 19.833 1.00 0.00 N ATOM 700 CA ILE A 44 25.925 26.263 20.100 1.00 0.00 C ATOM 701 C ILE A 44 25.047 26.266 18.846 1.00 0.00 C ATOM 702 O ILE A 44 24.878 27.299 18.189 1.00 0.00 O ATOM 703 CB ILE A 44 25.215 27.063 21.196 1.00 0.00 C ATOM 704 CG1 ILE A 44 26.114 27.187 22.434 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.907 26.366 21.582 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.603 25.808 22.892 1.00 0.00 C ATOM 0 H ILE A 44 27.226 27.834 19.577 1.00 0.00 H new ATOM 0 HA ILE A 44 26.079 25.232 20.419 1.00 0.00 H new ATOM 0 HB ILE A 44 24.998 28.061 20.815 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.969 27.824 22.206 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.564 27.669 23.242 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.406 26.939 22.362 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.259 26.299 20.708 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.124 25.364 21.951 1.00 0.00 H new ATOM 0 HD11 ILE A 44 27.238 25.921 23.771 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.746 25.182 23.142 1.00 0.00 H new ATOM 0 HD13 ILE A 44 27.173 25.339 22.090 1.00 0.00 H new ATOM 718 N PHE A 45 24.479 25.100 18.538 1.00 0.00 N ATOM 719 CA PHE A 45 23.596 24.946 17.380 1.00 0.00 C ATOM 720 C PHE A 45 22.434 24.025 17.734 1.00 0.00 C ATOM 721 O PHE A 45 22.638 22.889 18.158 1.00 0.00 O ATOM 722 CB PHE A 45 24.373 24.347 16.208 1.00 0.00 C ATOM 723 CG PHE A 45 23.462 24.190 15.014 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.429 25.175 14.019 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.658 23.052 14.900 1.00 0.00 C ATOM 726 CE1 PHE A 45 22.593 25.017 12.906 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.819 22.895 13.790 1.00 0.00 C ATOM 728 CZ PHE A 45 21.786 23.877 12.792 1.00 0.00 C ATOM 0 H PHE A 45 24.615 24.244 19.076 1.00 0.00 H new ATOM 0 HA PHE A 45 23.212 25.926 17.098 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.215 24.990 15.952 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.786 23.379 16.491 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.048 26.056 14.110 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.684 22.294 15.668 1.00 0.00 H new ATOM 0 HE1 PHE A 45 22.570 25.774 12.136 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.197 22.016 13.703 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.139 23.756 11.936 1.00 0.00 H new ATOM 738 N ALA A 46 21.214 24.522 17.564 1.00 0.00 N ATOM 739 CA ALA A 46 20.029 23.730 17.872 1.00 0.00 C ATOM 740 C ALA A 46 20.089 23.189 19.302 1.00 0.00 C ATOM 741 O ALA A 46 19.655 22.069 19.570 1.00 0.00 O ATOM 742 CB ALA A 46 19.914 22.567 16.888 1.00 0.00 C ATOM 0 H ALA A 46 21.020 25.462 17.218 1.00 0.00 H new ATOM 0 HA ALA A 46 19.154 24.374 17.783 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.027 21.978 17.122 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.834 22.956 15.873 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.799 21.936 16.966 1.00 0.00 H new ATOM 748 N GLY A 47 20.615 23.997 20.217 1.00 0.00 N ATOM 749 CA GLY A 47 20.710 23.599 21.620 1.00 0.00 C ATOM 750 C GLY A 47 21.692 22.445 21.829 1.00 0.00 C ATOM 751 O GLY A 47 21.649 21.771 22.858 1.00 0.00 O ATOM 0 H GLY A 47 20.981 24.927 20.015 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.025 24.454 22.218 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.724 23.304 21.980 1.00 0.00 H new ATOM 755 N LYS A 48 22.584 22.223 20.861 1.00 0.00 N ATOM 756 CA LYS A 48 23.581 21.148 20.962 1.00 0.00 C ATOM 757 C LYS A 48 24.991 21.707 20.809 1.00 0.00 C ATOM 758 O LYS A 48 25.289 22.382 19.824 1.00 0.00 O ATOM 759 CB LYS A 48 23.346 20.108 19.874 1.00 0.00 C ATOM 760 CG LYS A 48 21.946 19.511 20.012 1.00 0.00 C ATOM 761 CD LYS A 48 21.685 18.551 18.849 1.00 0.00 C ATOM 762 CE LYS A 48 20.241 18.050 18.914 1.00 0.00 C ATOM 763 NZ LYS A 48 20.044 17.271 20.169 1.00 0.00 N ATOM 0 H LYS A 48 22.639 22.769 20.001 1.00 0.00 H new ATOM 0 HA LYS A 48 23.478 20.686 21.944 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.459 20.566 18.891 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.095 19.319 19.946 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.856 18.983 20.961 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.199 20.305 20.017 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.863 19.056 17.900 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.376 17.709 18.897 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.550 18.893 18.884 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.021 17.426 18.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.181 16.697 20.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.862 16.647 20.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.952 17.925 20.973 1.00 0.00 H new ATOM 777 N GLN A 49 25.869 21.410 21.767 1.00 0.00 N ATOM 778 CA GLN A 49 27.242 21.879 21.689 1.00 0.00 C ATOM 779 C GLN A 49 28.023 21.044 20.686 1.00 0.00 C ATOM 780 O GLN A 49 27.964 19.813 20.709 1.00 0.00 O ATOM 781 CB GLN A 49 27.915 21.792 23.057 1.00 0.00 C ATOM 782 CG GLN A 49 29.236 22.561 23.018 1.00 0.00 C ATOM 783 CD GLN A 49 30.014 22.326 24.308 1.00 0.00 C ATOM 784 OE1 GLN A 49 30.254 23.264 25.068 1.00 0.00 O ATOM 785 NE2 GLN A 49 30.423 21.123 24.601 1.00 0.00 N ATOM 0 H GLN A 49 25.653 20.854 22.594 1.00 0.00 H new ATOM 0 HA GLN A 49 27.232 22.919 21.364 1.00 0.00 H new ATOM 0 HB2 GLN A 49 27.261 22.207 23.824 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.095 20.750 23.321 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.829 22.239 22.162 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.043 23.626 22.889 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.222 20.348 23.969 1.00 0.00 H new ATOM 0 HE22 GLN A 49 30.944 20.957 25.462 1.00 0.00 H new ATOM 794 N LEU A 50 28.732 21.713 19.790 1.00 0.00 N ATOM 795 CA LEU A 50 29.492 21.005 18.768 1.00 0.00 C ATOM 796 C LEU A 50 30.662 20.250 19.395 1.00 0.00 C ATOM 797 O LEU A 50 31.394 20.789 20.224 1.00 0.00 O ATOM 798 CB LEU A 50 29.999 22.002 17.722 1.00 0.00 C ATOM 799 CG LEU A 50 28.859 22.372 16.763 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.668 22.925 17.553 1.00 0.00 C ATOM 801 CD2 LEU A 50 29.345 23.433 15.777 1.00 0.00 C ATOM 0 H LEU A 50 28.798 22.730 19.748 1.00 0.00 H new ATOM 0 HA LEU A 50 28.841 20.278 18.283 1.00 0.00 H new ATOM 0 HB2 LEU A 50 30.378 22.898 18.214 1.00 0.00 H new ATOM 0 HB3 LEU A 50 30.829 21.568 17.165 1.00 0.00 H new ATOM 0 HG LEU A 50 28.548 21.479 16.220 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.864 23.185 16.865 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.315 22.170 18.255 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.977 23.814 18.102 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.535 23.695 15.096 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.661 24.321 16.324 1.00 0.00 H new ATOM 0 HD23 LEU A 50 30.186 23.041 15.206 1.00 0.00 H new ATOM 813 N GLU A 51 30.817 18.988 18.993 1.00 0.00 N ATOM 814 CA GLU A 51 31.877 18.135 19.508 1.00 0.00 C ATOM 815 C GLU A 51 33.241 18.554 18.959 1.00 0.00 C ATOM 816 O GLU A 51 33.398 18.765 17.757 1.00 0.00 O ATOM 817 CB GLU A 51 31.582 16.684 19.127 1.00 0.00 C ATOM 818 CG GLU A 51 32.370 15.748 20.037 1.00 0.00 C ATOM 819 CD GLU A 51 32.400 14.344 19.443 1.00 0.00 C ATOM 820 OE1 GLU A 51 33.234 14.104 18.586 1.00 0.00 O ATOM 821 OE2 GLU A 51 31.592 13.529 19.855 1.00 0.00 O ATOM 0 H GLU A 51 30.214 18.535 18.306 1.00 0.00 H new ATOM 0 HA GLU A 51 31.910 18.235 20.593 1.00 0.00 H new ATOM 0 HB2 GLU A 51 30.515 16.483 19.218 1.00 0.00 H new ATOM 0 HB3 GLU A 51 31.852 16.508 18.086 1.00 0.00 H new ATOM 0 HG2 GLU A 51 33.387 16.120 20.162 1.00 0.00 H new ATOM 0 HG3 GLU A 51 31.916 15.723 21.027 1.00 0.00 H new ATOM 828 N ASP A 52 34.215 18.678 19.852 1.00 0.00 N ATOM 829 CA ASP A 52 35.558 19.087 19.471 1.00 0.00 C ATOM 830 C ASP A 52 36.235 18.090 18.524 1.00 0.00 C ATOM 831 O ASP A 52 37.464 18.024 18.490 1.00 0.00 O ATOM 832 CB ASP A 52 36.413 19.231 20.731 1.00 0.00 C ATOM 833 CG ASP A 52 35.706 20.115 21.752 1.00 0.00 C ATOM 834 OD1 ASP A 52 35.160 21.129 21.349 1.00 0.00 O ATOM 835 OD2 ASP A 52 35.724 19.768 22.922 1.00 0.00 O ATOM 0 H ASP A 52 34.097 18.500 20.849 1.00 0.00 H new ATOM 0 HA ASP A 52 35.470 20.036 18.941 1.00 0.00 H new ATOM 0 HB2 ASP A 52 36.606 18.249 21.162 1.00 0.00 H new ATOM 0 HB3 ASP A 52 37.381 19.662 20.475 1.00 0.00 H new ATOM 840 N GLY A 53 35.466 17.311 17.754 1.00 0.00 N ATOM 841 CA GLY A 53 36.096 16.348 16.845 1.00 0.00 C ATOM 842 C GLY A 53 35.145 15.792 15.778 1.00 0.00 C ATOM 843 O GLY A 53 35.452 14.776 15.156 1.00 0.00 O ATOM 0 H GLY A 53 34.446 17.325 17.740 1.00 0.00 H new ATOM 0 HA2 GLY A 53 36.941 16.828 16.351 1.00 0.00 H new ATOM 0 HA3 GLY A 53 36.497 15.519 17.429 1.00 0.00 H new ATOM 847 N ARG A 54 34.003 16.447 15.552 1.00 0.00 N ATOM 848 CA ARG A 54 33.049 15.972 14.533 1.00 0.00 C ATOM 849 C ARG A 54 33.154 16.806 13.256 1.00 0.00 C ATOM 850 O ARG A 54 33.818 17.847 13.225 1.00 0.00 O ATOM 851 CB ARG A 54 31.604 16.032 15.079 1.00 0.00 C ATOM 852 CG ARG A 54 31.251 14.724 15.806 1.00 0.00 C ATOM 853 CD ARG A 54 29.763 14.708 16.180 1.00 0.00 C ATOM 854 NE ARG A 54 29.556 13.875 17.360 1.00 0.00 N ATOM 855 CZ ARG A 54 28.355 13.749 17.916 1.00 0.00 C ATOM 856 NH1 ARG A 54 28.199 12.992 18.969 1.00 0.00 N ATOM 857 NH2 ARG A 54 27.334 14.383 17.411 1.00 0.00 N ATOM 0 H ARG A 54 33.716 17.291 16.047 1.00 0.00 H new ATOM 0 HA ARG A 54 33.299 14.938 14.295 1.00 0.00 H new ATOM 0 HB2 ARG A 54 31.502 16.875 15.763 1.00 0.00 H new ATOM 0 HB3 ARG A 54 30.905 16.200 14.259 1.00 0.00 H new ATOM 0 HG2 ARG A 54 31.482 13.871 15.167 1.00 0.00 H new ATOM 0 HG3 ARG A 54 31.860 14.623 16.704 1.00 0.00 H new ATOM 0 HD2 ARG A 54 29.417 15.723 16.376 1.00 0.00 H new ATOM 0 HD3 ARG A 54 29.174 14.326 15.346 1.00 0.00 H new ATOM 0 HE ARG A 54 30.349 13.379 17.767 1.00 0.00 H new ATOM 0 HH11 ARG A 54 28.999 12.498 19.365 1.00 0.00 H new ATOM 0 HH12 ARG A 54 27.278 12.895 19.396 1.00 0.00 H new ATOM 0 HH21 ARG A 54 27.457 14.975 16.590 1.00 0.00 H new ATOM 0 HH22 ARG A 54 26.412 14.287 17.837 1.00 0.00 H new ATOM 871 N THR A 55 32.481 16.326 12.208 1.00 0.00 N ATOM 872 CA THR A 55 32.465 17.004 10.907 1.00 0.00 C ATOM 873 C THR A 55 31.132 17.713 10.699 1.00 0.00 C ATOM 874 O THR A 55 30.087 17.262 11.189 1.00 0.00 O ATOM 875 CB THR A 55 32.688 15.991 9.780 1.00 0.00 C ATOM 876 OG1 THR A 55 31.792 14.901 9.943 1.00 0.00 O ATOM 877 CG2 THR A 55 34.132 15.479 9.822 1.00 0.00 C ATOM 0 H THR A 55 31.936 15.464 12.235 1.00 0.00 H new ATOM 0 HA THR A 55 33.268 17.740 10.891 1.00 0.00 H new ATOM 0 HB THR A 55 32.507 16.473 8.819 1.00 0.00 H new ATOM 0 HG1 THR A 55 31.932 14.252 9.222 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.286 14.759 9.019 1.00 0.00 H new ATOM 0 HG22 THR A 55 34.819 16.316 9.696 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.320 14.998 10.782 1.00 0.00 H new ATOM 885 N LEU A 56 31.152 18.813 9.952 1.00 0.00 N ATOM 886 CA LEU A 56 29.926 19.531 9.693 1.00 0.00 C ATOM 887 C LEU A 56 28.921 18.596 9.039 1.00 0.00 C ATOM 888 O LEU A 56 27.730 18.663 9.333 1.00 0.00 O ATOM 889 CB LEU A 56 30.202 20.741 8.795 1.00 0.00 C ATOM 890 CG LEU A 56 30.852 21.869 9.616 1.00 0.00 C ATOM 891 CD1 LEU A 56 32.321 21.529 9.914 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.789 23.162 8.807 1.00 0.00 C ATOM 0 H LEU A 56 31.988 19.213 9.527 1.00 0.00 H new ATOM 0 HA LEU A 56 29.512 19.893 10.634 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.859 20.453 7.974 1.00 0.00 H new ATOM 0 HB3 LEU A 56 29.272 21.094 8.350 1.00 0.00 H new ATOM 0 HG LEU A 56 30.318 21.985 10.559 1.00 0.00 H new ATOM 0 HD11 LEU A 56 32.770 22.334 10.495 1.00 0.00 H new ATOM 0 HD12 LEU A 56 32.371 20.600 10.482 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.865 21.411 8.977 1.00 0.00 H new ATOM 0 HD21 LEU A 56 31.246 23.971 9.377 1.00 0.00 H new ATOM 0 HD22 LEU A 56 31.327 23.030 7.868 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.748 23.410 8.597 1.00 0.00 H new ATOM 904 N SER A 57 29.394 17.731 8.137 1.00 0.00 N ATOM 905 CA SER A 57 28.509 16.799 7.440 1.00 0.00 C ATOM 906 C SER A 57 27.541 16.127 8.410 1.00 0.00 C ATOM 907 O SER A 57 26.362 15.931 8.091 1.00 0.00 O ATOM 908 CB SER A 57 29.341 15.730 6.726 1.00 0.00 C ATOM 909 OG SER A 57 28.473 14.758 6.162 1.00 0.00 O ATOM 0 H SER A 57 30.377 17.658 7.875 1.00 0.00 H new ATOM 0 HA SER A 57 27.928 17.364 6.711 1.00 0.00 H new ATOM 0 HB2 SER A 57 29.949 16.187 5.946 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.027 15.257 7.429 1.00 0.00 H new ATOM 0 HG SER A 57 29.003 14.073 5.703 1.00 0.00 H new ATOM 915 N ASP A 58 28.030 15.804 9.601 1.00 0.00 N ATOM 916 CA ASP A 58 27.178 15.187 10.601 1.00 0.00 C ATOM 917 C ASP A 58 26.076 16.170 10.955 1.00 0.00 C ATOM 918 O ASP A 58 24.920 15.796 11.169 1.00 0.00 O ATOM 919 CB ASP A 58 27.984 14.840 11.858 1.00 0.00 C ATOM 920 CG ASP A 58 29.086 13.839 11.519 1.00 0.00 C ATOM 921 OD1 ASP A 58 28.942 13.143 10.528 1.00 0.00 O ATOM 922 OD2 ASP A 58 30.056 13.785 12.257 1.00 0.00 O ATOM 0 H ASP A 58 28.996 15.957 9.892 1.00 0.00 H new ATOM 0 HA ASP A 58 26.756 14.264 10.204 1.00 0.00 H new ATOM 0 HB2 ASP A 58 28.422 15.745 12.279 1.00 0.00 H new ATOM 0 HB3 ASP A 58 27.324 14.422 12.618 1.00 0.00 H new ATOM 927 N TYR A 59 26.458 17.442 11.002 1.00 0.00 N ATOM 928 CA TYR A 59 25.523 18.515 11.321 1.00 0.00 C ATOM 929 C TYR A 59 24.769 18.994 10.071 1.00 0.00 C ATOM 930 O TYR A 59 23.875 19.833 10.170 1.00 0.00 O ATOM 931 CB TYR A 59 26.294 19.684 11.932 1.00 0.00 C ATOM 932 CG TYR A 59 26.735 19.331 13.338 1.00 0.00 C ATOM 933 CD1 TYR A 59 28.069 18.986 13.588 1.00 0.00 C ATOM 934 CD2 TYR A 59 25.809 19.347 14.390 1.00 0.00 C ATOM 935 CE1 TYR A 59 28.477 18.658 14.887 1.00 0.00 C ATOM 936 CE2 TYR A 59 26.218 19.019 15.690 1.00 0.00 C ATOM 937 CZ TYR A 59 27.552 18.674 15.937 1.00 0.00 C ATOM 938 OH TYR A 59 27.955 18.351 17.217 1.00 0.00 O ATOM 0 H TYR A 59 27.412 17.756 10.823 1.00 0.00 H new ATOM 0 HA TYR A 59 24.789 18.132 12.030 1.00 0.00 H new ATOM 0 HB2 TYR A 59 27.163 19.919 11.317 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.666 20.575 11.951 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.784 18.973 12.778 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.780 19.612 14.199 1.00 0.00 H new ATOM 0 HE1 TYR A 59 29.506 18.393 15.079 1.00 0.00 H new ATOM 0 HE2 TYR A 59 25.504 19.032 16.501 1.00 0.00 H new ATOM 0 HH TYR A 59 27.190 18.413 17.826 1.00 0.00 H new ATOM 948 N ASN A 60 25.130 18.464 8.899 1.00 0.00 N ATOM 949 CA ASN A 60 24.466 18.863 7.655 1.00 0.00 C ATOM 950 C ASN A 60 23.162 18.101 7.481 1.00 0.00 C ATOM 951 O ASN A 60 22.164 18.657 7.035 1.00 0.00 O ATOM 952 CB ASN A 60 25.368 18.605 6.448 1.00 0.00 C ATOM 953 CG ASN A 60 24.720 19.173 5.185 1.00 0.00 C ATOM 954 OD1 ASN A 60 24.201 20.289 5.201 1.00 0.00 O ATOM 955 ND2 ASN A 60 24.720 18.467 4.086 1.00 0.00 N ATOM 0 H ASN A 60 25.867 17.768 8.785 1.00 0.00 H new ATOM 0 HA ASN A 60 24.256 19.931 7.717 1.00 0.00 H new ATOM 0 HB2 ASN A 60 26.343 19.066 6.606 1.00 0.00 H new ATOM 0 HB3 ASN A 60 25.537 17.535 6.331 1.00 0.00 H new ATOM 0 HD21 ASN A 60 24.290 18.840 3.240 1.00 0.00 H new ATOM 0 HD22 ASN A 60 25.150 17.542 4.074 1.00 0.00 H new ATOM 962 N ILE A 61 23.169 16.825 7.843 1.00 0.00 N ATOM 963 CA ILE A 61 21.955 16.017 7.725 1.00 0.00 C ATOM 964 C ILE A 61 20.869 16.593 8.634 1.00 0.00 C ATOM 965 O ILE A 61 19.751 16.869 8.195 1.00 0.00 O ATOM 966 CB ILE A 61 22.247 14.564 8.117 1.00 0.00 C ATOM 967 CG1 ILE A 61 23.224 13.960 7.110 1.00 0.00 C ATOM 968 CG2 ILE A 61 20.946 13.759 8.119 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.736 12.618 7.635 1.00 0.00 C ATOM 0 H ILE A 61 23.981 16.332 8.214 1.00 0.00 H new ATOM 0 HA ILE A 61 21.611 16.038 6.691 1.00 0.00 H new ATOM 0 HB ILE A 61 22.685 14.535 9.115 1.00 0.00 H new ATOM 0 HG12 ILE A 61 22.731 13.822 6.148 1.00 0.00 H new ATOM 0 HG13 ILE A 61 24.059 14.640 6.945 1.00 0.00 H new ATOM 0 HG21 ILE A 61 21.157 12.727 8.398 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.250 14.194 8.837 1.00 0.00 H new ATOM 0 HG23 ILE A 61 20.502 13.782 7.124 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.433 12.188 6.916 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.245 12.770 8.587 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.896 11.938 7.777 1.00 0.00 H new ATOM 981 N GLN A 62 21.225 16.766 9.899 1.00 0.00 N ATOM 982 CA GLN A 62 20.302 17.314 10.885 1.00 0.00 C ATOM 983 C GLN A 62 20.026 18.790 10.590 1.00 0.00 C ATOM 984 O GLN A 62 20.082 19.628 11.490 1.00 0.00 O ATOM 985 CB GLN A 62 20.912 17.175 12.285 1.00 0.00 C ATOM 986 CG GLN A 62 21.049 15.694 12.647 1.00 0.00 C ATOM 987 CD GLN A 62 19.671 15.077 12.852 1.00 0.00 C ATOM 988 OE1 GLN A 62 18.926 15.503 13.735 1.00 0.00 O ATOM 989 NE2 GLN A 62 19.284 14.095 12.085 1.00 0.00 N ATOM 0 H GLN A 62 22.147 16.535 10.268 1.00 0.00 H new ATOM 0 HA GLN A 62 19.362 16.764 10.837 1.00 0.00 H new ATOM 0 HB2 GLN A 62 21.889 17.658 12.316 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.283 17.681 13.017 1.00 0.00 H new ATOM 0 HG2 GLN A 62 21.579 15.165 11.855 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.643 15.587 13.555 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.903 13.744 11.354 1.00 0.00 H new ATOM 0 HE22 GLN A 62 18.362 13.678 12.216 1.00 0.00 H new ATOM 998 N LYS A 63 19.724 19.106 9.324 1.00 0.00 N ATOM 999 CA LYS A 63 19.435 20.486 8.930 1.00 0.00 C ATOM 1000 C LYS A 63 18.042 20.919 9.400 1.00 0.00 C ATOM 1001 O LYS A 63 17.184 21.262 8.585 1.00 0.00 O ATOM 1002 CB LYS A 63 19.543 20.641 7.401 1.00 0.00 C ATOM 1003 CG LYS A 63 19.541 22.128 7.025 1.00 0.00 C ATOM 1004 CD LYS A 63 19.913 22.298 5.548 1.00 0.00 C ATOM 1005 CE LYS A 63 19.637 23.741 5.118 1.00 0.00 C ATOM 1006 NZ LYS A 63 19.989 23.911 3.680 1.00 0.00 N ATOM 0 H LYS A 63 19.674 18.429 8.563 1.00 0.00 H new ATOM 0 HA LYS A 63 20.173 21.130 9.409 1.00 0.00 H new ATOM 0 HB2 LYS A 63 20.457 20.168 7.043 1.00 0.00 H new ATOM 0 HB3 LYS A 63 18.710 20.133 6.916 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.557 22.557 7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 63 20.249 22.670 7.651 1.00 0.00 H new ATOM 0 HD2 LYS A 63 20.965 22.056 5.396 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.335 21.607 4.934 1.00 0.00 H new ATOM 0 HE2 LYS A 63 18.586 23.984 5.277 1.00 0.00 H new ATOM 0 HE3 LYS A 63 20.219 24.431 5.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 19.801 24.892 3.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.997 23.697 3.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 19.415 23.263 3.103 1.00 0.00 H new ATOM 1020 N GLU A 64 17.825 20.915 10.711 1.00 0.00 N ATOM 1021 CA GLU A 64 16.533 21.322 11.258 1.00 0.00 C ATOM 1022 C GLU A 64 16.184 22.728 10.773 1.00 0.00 C ATOM 1023 O GLU A 64 15.044 23.005 10.400 1.00 0.00 O ATOM 1024 CB GLU A 64 16.596 21.320 12.791 1.00 0.00 C ATOM 1025 CG GLU A 64 16.751 19.886 13.304 1.00 0.00 C ATOM 1026 CD GLU A 64 16.728 19.873 14.831 1.00 0.00 C ATOM 1027 OE1 GLU A 64 16.621 20.940 15.413 1.00 0.00 O ATOM 1028 OE2 GLU A 64 16.822 18.796 15.396 1.00 0.00 O ATOM 0 H GLU A 64 18.516 20.638 11.408 1.00 0.00 H new ATOM 0 HA GLU A 64 15.770 20.621 10.921 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.434 21.929 13.130 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.690 21.767 13.202 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.946 19.263 12.915 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.687 19.461 12.942 1.00 0.00 H new ATOM 1049 N THR A 66 18.519 26.585 9.265 1.00 0.00 N ATOM 1050 CA THR A 66 19.561 27.003 8.323 1.00 0.00 C ATOM 1051 C THR A 66 20.924 26.812 8.981 1.00 0.00 C ATOM 1052 O THR A 66 20.994 26.382 10.131 1.00 0.00 O ATOM 1053 CB THR A 66 19.360 28.478 7.940 1.00 0.00 C ATOM 1054 OG1 THR A 66 20.473 28.916 7.176 1.00 0.00 O ATOM 1055 CG2 THR A 66 19.258 29.318 9.210 1.00 0.00 C ATOM 0 HA THR A 66 19.504 26.400 7.417 1.00 0.00 H new ATOM 0 HB THR A 66 18.447 28.586 7.355 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.949 29.620 7.665 1.00 0.00 H new ATOM 0 HG21 THR A 66 19.115 30.365 8.943 1.00 0.00 H new ATOM 0 HG22 THR A 66 18.411 28.977 9.805 1.00 0.00 H new ATOM 0 HG23 THR A 66 20.175 29.213 9.790 1.00 0.00 H new ATOM 1063 N LEU A 67 22.007 27.106 8.257 1.00 0.00 N ATOM 1064 CA LEU A 67 23.350 26.921 8.798 1.00 0.00 C ATOM 1065 C LEU A 67 23.763 28.107 9.662 1.00 0.00 C ATOM 1066 O LEU A 67 24.927 28.524 9.660 1.00 0.00 O ATOM 1067 CB LEU A 67 24.332 26.751 7.629 1.00 0.00 C ATOM 1068 CG LEU A 67 23.778 25.734 6.617 1.00 0.00 C ATOM 1069 CD1 LEU A 67 24.693 25.661 5.391 1.00 0.00 C ATOM 1070 CD2 LEU A 67 23.696 24.348 7.268 1.00 0.00 C ATOM 0 H LEU A 67 21.979 27.469 7.304 1.00 0.00 H new ATOM 0 HA LEU A 67 23.361 26.033 9.430 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.496 27.711 7.139 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.299 26.414 8.002 1.00 0.00 H new ATOM 0 HG LEU A 67 22.783 26.053 6.307 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.292 24.938 4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.748 26.642 4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.691 25.351 5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 67 23.303 23.630 6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.691 24.036 7.586 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.036 24.391 8.134 1.00 0.00 H new ATOM 1082 N HIS A 68 22.806 28.631 10.409 1.00 0.00 N ATOM 1083 CA HIS A 68 23.068 29.750 11.300 1.00 0.00 C ATOM 1084 C HIS A 68 23.661 29.220 12.596 1.00 0.00 C ATOM 1085 O HIS A 68 23.096 28.335 13.235 1.00 0.00 O ATOM 1086 CB HIS A 68 21.773 30.501 11.605 1.00 0.00 C ATOM 1087 CG HIS A 68 21.367 31.307 10.403 1.00 0.00 C ATOM 1088 ND1 HIS A 68 21.691 31.199 9.072 1.00 0.00 N flip ATOM 1089 CD2 HIS A 68 20.509 32.390 10.498 1.00 0.00 C flip ATOM 1090 CE1 HIS A 68 21.044 32.198 8.352 1.00 0.00 C flip ATOM 1091 NE2 HIS A 68 20.346 32.888 9.258 1.00 0.00 N flip ATOM 0 H HIS A 68 21.841 28.300 10.417 1.00 0.00 H new ATOM 0 HA HIS A 68 23.766 30.436 10.819 1.00 0.00 H new ATOM 0 HB2 HIS A 68 20.984 29.796 11.867 1.00 0.00 H new ATOM 0 HB3 HIS A 68 21.914 31.156 12.465 1.00 0.00 H new ATOM 0 HD2 HIS A 68 20.054 32.766 11.402 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.095 32.377 7.288 1.00 0.00 H new ATOM 0 HE2 HIS A 68 19.761 33.694 9.037 1.00 0.00 H new ATOM 1100 N LEU A 69 24.816 29.755 12.967 1.00 0.00 N ATOM 1101 CA LEU A 69 25.509 29.327 14.181 1.00 0.00 C ATOM 1102 C LEU A 69 25.489 30.434 15.221 1.00 0.00 C ATOM 1103 O LEU A 69 25.660 31.604 14.886 1.00 0.00 O ATOM 1104 CB LEU A 69 26.958 28.971 13.813 1.00 0.00 C ATOM 1105 CG LEU A 69 27.771 28.615 15.066 1.00 0.00 C ATOM 1106 CD1 LEU A 69 27.085 27.477 15.828 1.00 0.00 C ATOM 1107 CD2 LEU A 69 29.179 28.177 14.644 1.00 0.00 C ATOM 0 H LEU A 69 25.296 30.488 12.445 1.00 0.00 H new ATOM 0 HA LEU A 69 25.007 28.457 14.605 1.00 0.00 H new ATOM 0 HB2 LEU A 69 26.965 28.130 13.119 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.424 29.812 13.299 1.00 0.00 H new ATOM 0 HG LEU A 69 27.836 29.487 15.716 1.00 0.00 H new ATOM 0 HD11 LEU A 69 27.668 27.230 16.715 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.084 27.790 16.126 1.00 0.00 H new ATOM 0 HD13 LEU A 69 27.014 26.600 15.185 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.762 27.923 15.529 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.109 27.306 13.993 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.668 28.991 14.109 1.00 0.00 H new ATOM 1119 N VAL A 70 25.296 30.059 16.487 1.00 0.00 N ATOM 1120 CA VAL A 70 25.280 31.031 17.570 1.00 0.00 C ATOM 1121 C VAL A 70 26.600 30.982 18.323 1.00 0.00 C ATOM 1122 O VAL A 70 27.031 29.921 18.779 1.00 0.00 O ATOM 1123 CB VAL A 70 24.120 30.738 18.523 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.245 31.600 19.783 1.00 0.00 C ATOM 1125 CG2 VAL A 70 22.806 31.064 17.818 1.00 0.00 C ATOM 0 H VAL A 70 25.150 29.093 16.782 1.00 0.00 H new ATOM 0 HA VAL A 70 25.145 32.028 17.152 1.00 0.00 H new ATOM 0 HB VAL A 70 24.143 29.686 18.808 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.415 31.384 20.455 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.186 31.376 20.285 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.223 32.654 19.506 1.00 0.00 H new ATOM 0 HG21 VAL A 70 21.972 30.858 18.489 1.00 0.00 H new ATOM 0 HG22 VAL A 70 22.795 32.117 17.538 1.00 0.00 H new ATOM 0 HG23 VAL A 70 22.711 30.449 16.923 1.00 0.00 H new ATOM 1135 N LEU A 71 27.242 32.140 18.447 1.00 0.00 N ATOM 1136 CA LEU A 71 28.522 32.224 19.146 1.00 0.00 C ATOM 1137 C LEU A 71 28.322 32.613 20.607 1.00 0.00 C ATOM 1138 O LEU A 71 27.862 33.714 20.911 1.00 0.00 O ATOM 1139 CB LEU A 71 29.443 33.249 18.450 1.00 0.00 C ATOM 1140 CG LEU A 71 30.914 32.793 18.552 1.00 0.00 C ATOM 1141 CD1 LEU A 71 31.232 31.784 17.432 1.00 0.00 C ATOM 1142 CD2 LEU A 71 31.837 34.011 18.430 1.00 0.00 C ATOM 0 H LEU A 71 26.901 33.027 18.076 1.00 0.00 H new ATOM 0 HA LEU A 71 28.991 31.241 19.113 1.00 0.00 H new ATOM 0 HB2 LEU A 71 29.158 33.354 17.403 1.00 0.00 H new ATOM 0 HB3 LEU A 71 29.325 34.229 18.912 1.00 0.00 H new ATOM 0 HG LEU A 71 31.074 32.312 19.517 1.00 0.00 H new ATOM 0 HD11 LEU A 71 32.272 31.468 17.512 1.00 0.00 H new ATOM 0 HD12 LEU A 71 30.580 30.916 17.529 1.00 0.00 H new ATOM 0 HD13 LEU A 71 31.069 32.254 16.462 1.00 0.00 H new ATOM 0 HD21 LEU A 71 32.876 33.689 18.502 1.00 0.00 H new ATOM 0 HD22 LEU A 71 31.673 34.496 17.468 1.00 0.00 H new ATOM 0 HD23 LEU A 71 31.619 34.715 19.233 1.00 0.00 H new ATOM 1154 N ARG A 72 28.695 31.707 21.504 1.00 0.00 N ATOM 1155 CA ARG A 72 28.590 31.949 22.940 1.00 0.00 C ATOM 1156 C ARG A 72 29.973 32.272 23.510 1.00 0.00 C ATOM 1157 O ARG A 72 30.968 31.660 23.121 1.00 0.00 O ATOM 1158 CB ARG A 72 28.019 30.691 23.627 1.00 0.00 C ATOM 1159 CG ARG A 72 26.494 30.807 23.790 1.00 0.00 C ATOM 1160 CD ARG A 72 26.159 31.596 25.060 1.00 0.00 C ATOM 1161 NE ARG A 72 24.715 31.667 25.241 1.00 0.00 N ATOM 1162 CZ ARG A 72 23.964 32.441 24.463 1.00 0.00 C ATOM 1163 NH1 ARG A 72 22.673 32.488 24.643 1.00 0.00 N ATOM 1164 NH2 ARG A 72 24.519 33.153 23.521 1.00 0.00 N ATOM 0 H ARG A 72 29.075 30.792 21.261 1.00 0.00 H new ATOM 0 HA ARG A 72 27.926 32.794 23.122 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.261 29.807 23.037 1.00 0.00 H new ATOM 0 HB3 ARG A 72 28.485 30.560 24.603 1.00 0.00 H new ATOM 0 HG2 ARG A 72 26.064 31.303 22.920 1.00 0.00 H new ATOM 0 HG3 ARG A 72 26.049 29.813 23.842 1.00 0.00 H new ATOM 0 HD2 ARG A 72 26.618 31.119 25.925 1.00 0.00 H new ATOM 0 HD3 ARG A 72 26.574 32.601 24.993 1.00 0.00 H new ATOM 0 HE ARG A 72 24.273 31.114 25.976 1.00 0.00 H new ATOM 0 HH11 ARG A 72 22.240 31.931 25.380 1.00 0.00 H new ATOM 0 HH12 ARG A 72 22.096 33.081 24.047 1.00 0.00 H new ATOM 0 HH21 ARG A 72 25.529 33.116 23.381 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.943 33.747 22.924 1.00 0.00 H new