USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 522 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 -157:sc= 0 (180deg=-0.1) USER MOD Single : A 1 MET N :NH3+ 158:sc= 0.689 (180deg=0.379) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.218 USER MOD Single : A 7 GLN : amide:sc=-0.00897 X(o=-0.009,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 88:sc= -0.0858 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -37:sc= 0.57 USER MOD Single : A 22 THR OG1 : rot 180:sc=1.92e-05 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0253 USER MOD Single : A 33 ASN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.514 X(o=-0.51,f=-0.23) USER MOD Single : A 47 THR OG1 : rot -146:sc= -0.716 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.105 K(o=-0.1,f=-1.3!) USER MOD Single : A 70 HIS : no HD1:sc= -0.0249 X(o=-0.025,f=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.269 -1.041 -12.818 1.00 42.41 N ATOM 2 CA MET A 1 13.781 -0.378 -11.624 1.00 43.44 C ATOM 3 C MET A 1 14.186 -1.399 -10.567 1.00 24.35 C ATOM 4 O MET A 1 13.675 -1.385 -9.447 1.00 34.32 O ATOM 5 CB MET A 1 12.729 0.575 -11.053 1.00 44.34 C ATOM 6 CG MET A 1 12.674 1.917 -11.766 1.00 5.14 C ATOM 7 SD MET A 1 11.804 1.831 -13.342 1.00 54.41 S ATOM 8 CE MET A 1 10.111 2.067 -12.807 1.00 34.21 C ATOM 0 H1 MET A 1 12.671 -0.379 -13.353 1.00 42.41 H new ATOM 0 H2 MET A 1 14.065 -1.347 -13.413 1.00 42.41 H new ATOM 0 H3 MET A 1 12.706 -1.870 -12.540 1.00 42.41 H new ATOM 0 HA MET A 1 14.664 0.195 -11.907 1.00 43.44 H new ATOM 0 HB2 MET A 1 11.750 0.100 -11.113 1.00 44.34 H new ATOM 0 HB3 MET A 1 12.938 0.742 -9.996 1.00 44.34 H new ATOM 0 HG2 MET A 1 12.181 2.646 -11.123 1.00 5.14 H new ATOM 0 HG3 MET A 1 13.689 2.276 -11.935 1.00 5.14 H new ATOM 0 HE1 MET A 1 9.433 1.648 -13.550 1.00 34.21 H new ATOM 0 HE2 MET A 1 9.958 1.564 -11.852 1.00 34.21 H new ATOM 0 HE3 MET A 1 9.911 3.132 -12.693 1.00 34.21 H new ATOM 18 N LYS A 2 15.108 -2.285 -10.928 1.00 61.24 N ATOM 19 CA LYS A 2 15.583 -3.314 -10.011 1.00 2.11 C ATOM 20 C LYS A 2 17.098 -3.241 -9.849 1.00 2.11 C ATOM 21 O LYS A 2 17.811 -2.816 -10.759 1.00 0.12 O ATOM 22 CB LYS A 2 15.180 -4.702 -10.515 1.00 12.53 C ATOM 23 CG LYS A 2 15.821 -5.078 -11.839 1.00 41.11 C ATOM 24 CD LYS A 2 14.963 -6.064 -12.614 1.00 21.12 C ATOM 25 CE LYS A 2 15.046 -7.462 -12.020 1.00 2.23 C ATOM 26 NZ LYS A 2 13.978 -8.354 -12.550 1.00 25.21 N ATOM 0 H LYS A 2 15.542 -2.311 -11.851 1.00 61.24 H new ATOM 0 HA LYS A 2 15.122 -3.139 -9.039 1.00 2.11 H new ATOM 0 HB2 LYS A 2 15.452 -5.445 -9.765 1.00 12.53 H new ATOM 0 HB3 LYS A 2 14.096 -4.740 -10.622 1.00 12.53 H new ATOM 0 HG2 LYS A 2 15.976 -4.180 -12.437 1.00 41.11 H new ATOM 0 HG3 LYS A 2 16.804 -5.513 -11.658 1.00 41.11 H new ATOM 0 HD2 LYS A 2 13.926 -5.727 -12.611 1.00 21.12 H new ATOM 0 HD3 LYS A 2 15.286 -6.090 -13.655 1.00 21.12 H new ATOM 0 HE2 LYS A 2 16.022 -7.893 -12.241 1.00 2.23 H new ATOM 0 HE3 LYS A 2 14.963 -7.401 -10.935 1.00 2.23 H new ATOM 0 HZ1 LYS A 2 14.069 -9.297 -12.121 1.00 25.21 H new ATOM 0 HZ2 LYS A 2 13.046 -7.956 -12.317 1.00 25.21 H new ATOM 0 HZ3 LYS A 2 14.072 -8.433 -13.583 1.00 25.21 H new ATOM 40 N THR A 3 17.585 -3.659 -8.685 1.00 24.52 N ATOM 41 CA THR A 3 19.015 -3.642 -8.404 1.00 3.20 C ATOM 42 C THR A 3 19.444 -4.899 -7.655 1.00 42.53 C ATOM 43 O THR A 3 18.616 -5.600 -7.075 1.00 31.44 O ATOM 44 CB THR A 3 19.410 -2.405 -7.575 1.00 51.45 C ATOM 45 OG1 THR A 3 20.800 -2.465 -7.236 1.00 33.30 O ATOM 46 CG2 THR A 3 18.576 -2.315 -6.306 1.00 40.23 C ATOM 0 H THR A 3 17.010 -4.014 -7.921 1.00 24.52 H new ATOM 0 HA THR A 3 19.525 -3.604 -9.366 1.00 3.20 H new ATOM 0 HB THR A 3 19.222 -1.516 -8.178 1.00 51.45 H new ATOM 0 HG1 THR A 3 21.043 -1.674 -6.711 1.00 33.30 H new ATOM 0 HG21 THR A 3 18.873 -1.434 -5.737 1.00 40.23 H new ATOM 0 HG22 THR A 3 17.521 -2.239 -6.569 1.00 40.23 H new ATOM 0 HG23 THR A 3 18.736 -3.208 -5.702 1.00 40.23 H new ATOM 54 N PHE A 4 20.743 -5.177 -7.672 1.00 25.03 N ATOM 55 CA PHE A 4 21.282 -6.350 -6.994 1.00 64.40 C ATOM 56 C PHE A 4 21.344 -6.127 -5.486 1.00 1.22 C ATOM 57 O PHE A 4 21.705 -5.045 -5.022 1.00 74.42 O ATOM 58 CB PHE A 4 22.678 -6.679 -7.530 1.00 35.13 C ATOM 59 CG PHE A 4 22.765 -6.653 -9.029 1.00 5.11 C ATOM 60 CD1 PHE A 4 21.847 -7.344 -9.802 1.00 70.22 C ATOM 61 CD2 PHE A 4 23.767 -5.937 -9.665 1.00 22.22 C ATOM 62 CE1 PHE A 4 21.925 -7.322 -11.182 1.00 52.10 C ATOM 63 CE2 PHE A 4 23.850 -5.911 -11.044 1.00 52.11 C ATOM 64 CZ PHE A 4 22.928 -6.605 -11.804 1.00 23.13 C ATOM 0 H PHE A 4 21.442 -4.606 -8.148 1.00 25.03 H new ATOM 0 HA PHE A 4 20.617 -7.190 -7.192 1.00 64.40 H new ATOM 0 HB2 PHE A 4 23.393 -5.966 -7.120 1.00 35.13 H new ATOM 0 HB3 PHE A 4 22.972 -7.666 -7.174 1.00 35.13 H new ATOM 0 HD1 PHE A 4 21.061 -7.907 -9.321 1.00 70.22 H new ATOM 0 HD2 PHE A 4 24.491 -5.393 -9.076 1.00 22.22 H new ATOM 0 HE1 PHE A 4 21.202 -7.865 -11.773 1.00 52.10 H new ATOM 0 HE2 PHE A 4 24.635 -5.349 -11.528 1.00 52.11 H new ATOM 0 HZ PHE A 4 22.992 -6.587 -12.882 1.00 23.13 H new ATOM 74 N ALA A 5 20.989 -7.158 -4.726 1.00 11.31 N ATOM 75 CA ALA A 5 21.005 -7.075 -3.271 1.00 31.33 C ATOM 76 C ALA A 5 22.289 -7.668 -2.701 1.00 64.14 C ATOM 77 O ALA A 5 22.476 -8.886 -2.699 1.00 53.31 O ATOM 78 CB ALA A 5 19.791 -7.784 -2.689 1.00 31.14 C ATOM 0 H ALA A 5 20.687 -8.060 -5.094 1.00 11.31 H new ATOM 0 HA ALA A 5 20.967 -6.022 -2.992 1.00 31.33 H new ATOM 0 HB1 ALA A 5 19.816 -7.714 -1.602 1.00 31.14 H new ATOM 0 HB2 ALA A 5 18.881 -7.314 -3.062 1.00 31.14 H new ATOM 0 HB3 ALA A 5 19.805 -8.833 -2.986 1.00 31.14 H new ATOM 84 N LEU A 6 23.173 -6.801 -2.220 1.00 40.22 N ATOM 85 CA LEU A 6 24.442 -7.239 -1.648 1.00 54.22 C ATOM 86 C LEU A 6 24.413 -7.148 -0.126 1.00 12.01 C ATOM 87 O LEU A 6 23.385 -6.820 0.466 1.00 51.11 O ATOM 88 CB LEU A 6 25.591 -6.393 -2.199 1.00 60.23 C ATOM 89 CG LEU A 6 25.494 -6.009 -3.676 1.00 72.53 C ATOM 90 CD1 LEU A 6 26.576 -5.004 -4.039 1.00 21.50 C ATOM 91 CD2 LEU A 6 25.596 -7.247 -4.557 1.00 14.44 C ATOM 0 H LEU A 6 23.035 -5.790 -2.215 1.00 40.22 H new ATOM 0 HA LEU A 6 24.599 -8.281 -1.928 1.00 54.22 H new ATOM 0 HB2 LEU A 6 25.657 -5.478 -1.610 1.00 60.23 H new ATOM 0 HB3 LEU A 6 26.523 -6.938 -2.046 1.00 60.23 H new ATOM 0 HG LEU A 6 24.523 -5.544 -3.847 1.00 72.53 H new ATOM 0 HD11 LEU A 6 26.491 -4.743 -5.094 1.00 21.50 H new ATOM 0 HD12 LEU A 6 26.457 -4.106 -3.432 1.00 21.50 H new ATOM 0 HD13 LEU A 6 27.557 -5.441 -3.852 1.00 21.50 H new ATOM 0 HD21 LEU A 6 25.525 -6.955 -5.605 1.00 14.44 H new ATOM 0 HD22 LEU A 6 26.552 -7.740 -4.382 1.00 14.44 H new ATOM 0 HD23 LEU A 6 24.784 -7.933 -4.316 1.00 14.44 H new ATOM 103 N GLN A 7 25.548 -7.439 0.501 1.00 43.23 N ATOM 104 CA GLN A 7 25.653 -7.388 1.954 1.00 33.32 C ATOM 105 C GLN A 7 25.167 -6.045 2.488 1.00 4.34 C ATOM 106 O GLN A 7 25.674 -4.992 2.102 1.00 31.23 O ATOM 107 CB GLN A 7 27.098 -7.632 2.392 1.00 61.45 C ATOM 108 CG GLN A 7 27.265 -8.846 3.292 1.00 15.42 C ATOM 109 CD GLN A 7 28.557 -8.812 4.083 1.00 22.33 C ATOM 110 OE1 GLN A 7 28.562 -9.025 5.296 1.00 21.41 O ATOM 111 NE2 GLN A 7 29.663 -8.544 3.399 1.00 4.14 N ATOM 0 H GLN A 7 26.408 -7.713 0.025 1.00 43.23 H new ATOM 0 HA GLN A 7 25.019 -8.173 2.366 1.00 33.32 H new ATOM 0 HB2 GLN A 7 27.721 -7.758 1.506 1.00 61.45 H new ATOM 0 HB3 GLN A 7 27.464 -6.749 2.916 1.00 61.45 H new ATOM 0 HG2 GLN A 7 26.423 -8.901 3.982 1.00 15.42 H new ATOM 0 HG3 GLN A 7 27.239 -9.750 2.684 1.00 15.42 H new ATOM 0 HE21 GLN A 7 29.613 -8.374 2.395 1.00 4.14 H new ATOM 0 HE22 GLN A 7 30.563 -8.508 3.878 1.00 4.14 H new ATOM 120 N GLY A 8 24.181 -6.089 3.379 1.00 4.25 N ATOM 121 CA GLY A 8 23.644 -4.868 3.952 1.00 73.42 C ATOM 122 C GLY A 8 22.869 -4.046 2.941 1.00 61.20 C ATOM 123 O GLY A 8 22.632 -2.856 3.149 1.00 25.13 O ATOM 0 H GLY A 8 23.745 -6.948 3.714 1.00 4.25 H new ATOM 0 HA2 GLY A 8 22.992 -5.119 4.788 1.00 73.42 H new ATOM 0 HA3 GLY A 8 24.461 -4.269 4.354 1.00 73.42 H new ATOM 127 N ASP A 9 22.475 -4.681 1.843 1.00 53.45 N ATOM 128 CA ASP A 9 21.723 -4.000 0.795 1.00 52.03 C ATOM 129 C ASP A 9 20.404 -4.715 0.520 1.00 34.34 C ATOM 130 O ASP A 9 19.847 -4.618 -0.574 1.00 1.41 O ATOM 131 CB ASP A 9 22.551 -3.922 -0.489 1.00 4.25 C ATOM 132 CG ASP A 9 23.540 -2.772 -0.470 1.00 73.34 C ATOM 133 OD1 ASP A 9 23.950 -2.360 0.635 1.00 44.23 O ATOM 134 OD2 ASP A 9 23.903 -2.286 -1.561 1.00 41.23 O ATOM 0 H ASP A 9 22.664 -5.666 1.655 1.00 53.45 H new ATOM 0 HA ASP A 9 21.504 -2.989 1.139 1.00 52.03 H new ATOM 0 HB2 ASP A 9 23.090 -4.859 -0.628 1.00 4.25 H new ATOM 0 HB3 ASP A 9 21.883 -3.809 -1.343 1.00 4.25 H new ATOM 139 N THR A 10 19.908 -5.436 1.521 1.00 32.33 N ATOM 140 CA THR A 10 18.656 -6.170 1.388 1.00 73.13 C ATOM 141 C THR A 10 17.463 -5.222 1.362 1.00 14.45 C ATOM 142 O THR A 10 17.625 -4.002 1.421 1.00 54.02 O ATOM 143 CB THR A 10 18.471 -7.179 2.537 1.00 74.34 C ATOM 144 OG1 THR A 10 18.039 -6.500 3.721 1.00 44.41 O ATOM 145 CG2 THR A 10 19.767 -7.924 2.817 1.00 42.01 C ATOM 0 H THR A 10 20.355 -5.527 2.433 1.00 32.33 H new ATOM 0 HA THR A 10 18.706 -6.712 0.444 1.00 73.13 H new ATOM 0 HB THR A 10 17.713 -7.902 2.237 1.00 74.34 H new ATOM 0 HG1 THR A 10 17.922 -7.149 4.446 1.00 44.41 H new ATOM 0 HG21 THR A 10 19.612 -8.631 3.632 1.00 42.01 H new ATOM 0 HG22 THR A 10 20.077 -8.464 1.922 1.00 42.01 H new ATOM 0 HG23 THR A 10 20.543 -7.212 3.097 1.00 42.01 H new ATOM 153 N LEU A 11 16.264 -5.788 1.276 1.00 62.30 N ATOM 154 CA LEU A 11 15.042 -4.992 1.244 1.00 61.41 C ATOM 155 C LEU A 11 15.026 -3.974 2.379 1.00 52.40 C ATOM 156 O LEU A 11 14.695 -2.806 2.174 1.00 53.34 O ATOM 157 CB LEU A 11 13.815 -5.901 1.341 1.00 25.24 C ATOM 158 CG LEU A 11 13.782 -7.089 0.379 1.00 0.01 C ATOM 159 CD1 LEU A 11 12.499 -7.885 0.558 1.00 32.23 C ATOM 160 CD2 LEU A 11 13.920 -6.614 -1.060 1.00 3.31 C ATOM 0 H LEU A 11 16.112 -6.795 1.227 1.00 62.30 H new ATOM 0 HA LEU A 11 15.013 -4.453 0.297 1.00 61.41 H new ATOM 0 HB2 LEU A 11 13.750 -6.282 2.360 1.00 25.24 H new ATOM 0 HB3 LEU A 11 12.925 -5.296 1.170 1.00 25.24 H new ATOM 0 HG LEU A 11 14.625 -7.741 0.608 1.00 0.01 H new ATOM 0 HD11 LEU A 11 12.493 -8.726 -0.135 1.00 32.23 H new ATOM 0 HD12 LEU A 11 12.441 -8.257 1.581 1.00 32.23 H new ATOM 0 HD13 LEU A 11 11.641 -7.243 0.356 1.00 32.23 H new ATOM 0 HD21 LEU A 11 13.894 -7.473 -1.731 1.00 3.31 H new ATOM 0 HD22 LEU A 11 13.098 -5.941 -1.301 1.00 3.31 H new ATOM 0 HD23 LEU A 11 14.867 -6.088 -1.180 1.00 3.31 H new ATOM 172 N ASP A 12 15.387 -4.423 3.576 1.00 63.24 N ATOM 173 CA ASP A 12 15.418 -3.550 4.743 1.00 34.13 C ATOM 174 C ASP A 12 16.270 -2.314 4.475 1.00 13.52 C ATOM 175 O ASP A 12 15.986 -1.230 4.985 1.00 4.02 O ATOM 176 CB ASP A 12 15.960 -4.305 5.957 1.00 24.44 C ATOM 177 CG ASP A 12 16.339 -3.377 7.095 1.00 62.32 C ATOM 178 OD1 ASP A 12 15.423 -2.852 7.761 1.00 4.40 O ATOM 179 OD2 ASP A 12 17.552 -3.176 7.318 1.00 15.01 O ATOM 0 H ASP A 12 15.662 -5.387 3.763 1.00 63.24 H new ATOM 0 HA ASP A 12 14.398 -3.227 4.951 1.00 34.13 H new ATOM 0 HB2 ASP A 12 15.209 -5.014 6.305 1.00 24.44 H new ATOM 0 HB3 ASP A 12 16.833 -4.886 5.660 1.00 24.44 H new ATOM 184 N ALA A 13 17.315 -2.484 3.673 1.00 61.24 N ATOM 185 CA ALA A 13 18.208 -1.382 3.336 1.00 31.22 C ATOM 186 C ALA A 13 17.697 -0.613 2.123 1.00 41.50 C ATOM 187 O ALA A 13 17.454 0.592 2.198 1.00 14.21 O ATOM 188 CB ALA A 13 19.615 -1.902 3.080 1.00 73.11 C ATOM 0 H ALA A 13 17.565 -3.375 3.244 1.00 61.24 H new ATOM 0 HA ALA A 13 18.235 -0.696 4.183 1.00 31.22 H new ATOM 0 HB1 ALA A 13 20.271 -1.068 2.829 1.00 73.11 H new ATOM 0 HB2 ALA A 13 19.987 -2.400 3.975 1.00 73.11 H new ATOM 0 HB3 ALA A 13 19.596 -2.610 2.252 1.00 73.11 H new ATOM 194 N ILE A 14 17.538 -1.315 1.007 1.00 73.24 N ATOM 195 CA ILE A 14 17.055 -0.697 -0.222 1.00 64.02 C ATOM 196 C ILE A 14 15.801 0.131 0.035 1.00 71.14 C ATOM 197 O ILE A 14 15.717 1.291 -0.369 1.00 42.42 O ATOM 198 CB ILE A 14 16.748 -1.753 -1.301 1.00 3.24 C ATOM 199 CG1 ILE A 14 18.009 -2.552 -1.637 1.00 1.14 C ATOM 200 CG2 ILE A 14 16.188 -1.088 -2.549 1.00 10.52 C ATOM 201 CD1 ILE A 14 17.729 -3.837 -2.384 1.00 52.21 C ATOM 0 H ILE A 14 17.736 -2.312 0.928 1.00 73.24 H new ATOM 0 HA ILE A 14 17.851 -0.044 -0.581 1.00 64.02 H new ATOM 0 HB ILE A 14 15.997 -2.441 -0.912 1.00 3.24 H new ATOM 0 HG12 ILE A 14 18.674 -1.930 -2.236 1.00 1.14 H new ATOM 0 HG13 ILE A 14 18.538 -2.786 -0.713 1.00 1.14 H new ATOM 0 HG21 ILE A 14 15.976 -1.847 -3.302 1.00 10.52 H new ATOM 0 HG22 ILE A 14 15.268 -0.559 -2.298 1.00 10.52 H new ATOM 0 HG23 ILE A 14 16.918 -0.380 -2.943 1.00 10.52 H new ATOM 0 HD11 ILE A 14 18.668 -4.351 -2.589 1.00 52.21 H new ATOM 0 HD12 ILE A 14 17.089 -4.478 -1.778 1.00 52.21 H new ATOM 0 HD13 ILE A 14 17.228 -3.609 -3.325 1.00 52.21 H new ATOM 213 N CYS A 15 14.829 -0.472 0.710 1.00 72.35 N ATOM 214 CA CYS A 15 13.578 0.210 1.022 1.00 73.42 C ATOM 215 C CYS A 15 13.843 1.539 1.720 1.00 11.40 C ATOM 216 O CYS A 15 13.103 2.507 1.538 1.00 23.40 O ATOM 217 CB CYS A 15 12.696 -0.676 1.903 1.00 22.33 C ATOM 218 SG CYS A 15 11.929 -2.059 1.027 1.00 72.20 S ATOM 0 H CYS A 15 14.883 -1.432 1.052 1.00 72.35 H new ATOM 0 HA CYS A 15 13.058 0.410 0.085 1.00 73.42 H new ATOM 0 HB2 CYS A 15 13.298 -1.068 2.723 1.00 22.33 H new ATOM 0 HB3 CYS A 15 11.913 -0.062 2.348 1.00 22.33 H new ATOM 0 HG CYS A 15 12.729 -3.083 1.048 1.00 72.20 H new ATOM 224 N VAL A 16 14.903 1.580 2.521 1.00 13.15 N ATOM 225 CA VAL A 16 15.266 2.791 3.248 1.00 34.11 C ATOM 226 C VAL A 16 16.126 3.711 2.389 1.00 74.34 C ATOM 227 O VAL A 16 16.207 4.913 2.638 1.00 2.43 O ATOM 228 CB VAL A 16 16.026 2.460 4.546 1.00 61.01 C ATOM 229 CG1 VAL A 16 16.400 3.735 5.286 1.00 12.20 C ATOM 230 CG2 VAL A 16 15.195 1.544 5.431 1.00 14.13 C ATOM 0 H VAL A 16 15.526 0.788 2.683 1.00 13.15 H new ATOM 0 HA VAL A 16 14.335 3.299 3.500 1.00 34.11 H new ATOM 0 HB VAL A 16 16.946 1.937 4.284 1.00 61.01 H new ATOM 0 HG11 VAL A 16 16.936 3.481 6.200 1.00 12.20 H new ATOM 0 HG12 VAL A 16 17.037 4.351 4.651 1.00 12.20 H new ATOM 0 HG13 VAL A 16 15.495 4.288 5.538 1.00 12.20 H new ATOM 0 HG21 VAL A 16 15.747 1.320 6.344 1.00 14.13 H new ATOM 0 HG22 VAL A 16 14.257 2.037 5.686 1.00 14.13 H new ATOM 0 HG23 VAL A 16 14.984 0.617 4.898 1.00 14.13 H new ATOM 240 N ARG A 17 16.765 3.137 1.375 1.00 62.13 N ATOM 241 CA ARG A 17 17.620 3.905 0.478 1.00 41.12 C ATOM 242 C ARG A 17 16.804 4.524 -0.653 1.00 43.33 C ATOM 243 O ARG A 17 17.248 5.468 -1.308 1.00 63.43 O ATOM 244 CB ARG A 17 18.720 3.013 -0.101 1.00 51.23 C ATOM 245 CG ARG A 17 19.614 2.386 0.955 1.00 23.52 C ATOM 246 CD ARG A 17 21.078 2.430 0.544 1.00 73.51 C ATOM 247 NE ARG A 17 21.972 2.354 1.696 1.00 65.24 N ATOM 248 CZ ARG A 17 22.232 3.384 2.493 1.00 21.45 C ATOM 249 NH1 ARG A 17 21.668 4.562 2.266 1.00 33.50 N ATOM 250 NH2 ARG A 17 23.058 3.236 3.522 1.00 54.01 N ATOM 0 H ARG A 17 16.707 2.143 1.154 1.00 62.13 H new ATOM 0 HA ARG A 17 18.079 4.709 1.054 1.00 41.12 H new ATOM 0 HB2 ARG A 17 18.260 2.221 -0.692 1.00 51.23 H new ATOM 0 HB3 ARG A 17 19.334 3.603 -0.781 1.00 51.23 H new ATOM 0 HG2 ARG A 17 19.485 2.911 1.901 1.00 23.52 H new ATOM 0 HG3 ARG A 17 19.313 1.352 1.121 1.00 23.52 H new ATOM 0 HD2 ARG A 17 21.289 1.603 -0.134 1.00 73.51 H new ATOM 0 HD3 ARG A 17 21.273 3.351 -0.006 1.00 73.51 H new ATOM 0 HE ARG A 17 22.421 1.461 1.900 1.00 65.24 H new ATOM 0 HH11 ARG A 17 21.032 4.679 1.477 1.00 33.50 H new ATOM 0 HH12 ARG A 17 21.870 5.351 2.880 1.00 33.50 H new ATOM 0 HH21 ARG A 17 23.493 2.331 3.701 1.00 54.01 H new ATOM 0 HH22 ARG A 17 23.257 4.027 4.134 1.00 54.01 H new ATOM 264 N TYR A 18 15.610 3.987 -0.877 1.00 43.10 N ATOM 265 CA TYR A 18 14.734 4.485 -1.931 1.00 34.54 C ATOM 266 C TYR A 18 13.552 5.249 -1.341 1.00 5.02 C ATOM 267 O TYR A 18 13.390 6.445 -1.582 1.00 11.52 O ATOM 268 CB TYR A 18 14.227 3.326 -2.791 1.00 20.30 C ATOM 269 CG TYR A 18 15.233 2.845 -3.812 1.00 70.13 C ATOM 270 CD1 TYR A 18 16.403 2.208 -3.417 1.00 41.11 C ATOM 271 CD2 TYR A 18 15.014 3.028 -5.172 1.00 1.11 C ATOM 272 CE1 TYR A 18 17.326 1.768 -4.346 1.00 74.35 C ATOM 273 CE2 TYR A 18 15.930 2.590 -6.108 1.00 62.43 C ATOM 274 CZ TYR A 18 17.084 1.960 -5.691 1.00 3.32 C ATOM 275 OH TYR A 18 18.000 1.523 -6.620 1.00 40.44 O ATOM 0 H TYR A 18 15.227 3.207 -0.343 1.00 43.10 H new ATOM 0 HA TYR A 18 15.310 5.168 -2.555 1.00 34.54 H new ATOM 0 HB2 TYR A 18 13.955 2.494 -2.141 1.00 20.30 H new ATOM 0 HB3 TYR A 18 13.319 3.637 -3.307 1.00 20.30 H new ATOM 0 HD1 TYR A 18 16.594 2.054 -2.365 1.00 41.11 H new ATOM 0 HD2 TYR A 18 14.112 3.521 -5.503 1.00 1.11 H new ATOM 0 HE1 TYR A 18 18.231 1.277 -4.022 1.00 74.35 H new ATOM 0 HE2 TYR A 18 15.744 2.740 -7.161 1.00 62.43 H new ATOM 0 HH TYR A 18 17.678 1.734 -7.521 1.00 40.44 H new ATOM 285 N TYR A 19 12.731 4.549 -0.566 1.00 50.33 N ATOM 286 CA TYR A 19 11.563 5.160 0.058 1.00 61.04 C ATOM 287 C TYR A 19 11.928 5.789 1.399 1.00 44.45 C ATOM 288 O TYR A 19 11.398 6.835 1.772 1.00 72.42 O ATOM 289 CB TYR A 19 10.460 4.118 0.254 1.00 5.20 C ATOM 290 CG TYR A 19 10.262 3.214 -0.941 1.00 71.13 C ATOM 291 CD1 TYR A 19 9.525 3.636 -2.041 1.00 64.15 C ATOM 292 CD2 TYR A 19 10.810 1.937 -0.970 1.00 53.54 C ATOM 293 CE1 TYR A 19 9.341 2.813 -3.136 1.00 34.03 C ATOM 294 CE2 TYR A 19 10.631 1.108 -2.061 1.00 3.41 C ATOM 295 CZ TYR A 19 9.896 1.550 -3.141 1.00 10.52 C ATOM 296 OH TYR A 19 9.715 0.727 -4.228 1.00 72.03 O ATOM 0 H TYR A 19 12.853 3.559 -0.355 1.00 50.33 H new ATOM 0 HA TYR A 19 11.198 5.946 -0.604 1.00 61.04 H new ATOM 0 HB2 TYR A 19 10.699 3.508 1.125 1.00 5.20 H new ATOM 0 HB3 TYR A 19 9.523 4.630 0.471 1.00 5.20 H new ATOM 0 HD1 TYR A 19 9.089 4.624 -2.040 1.00 64.15 H new ATOM 0 HD2 TYR A 19 11.385 1.587 -0.126 1.00 53.54 H new ATOM 0 HE1 TYR A 19 8.766 3.157 -3.983 1.00 34.03 H new ATOM 0 HE2 TYR A 19 11.065 0.119 -2.068 1.00 3.41 H new ATOM 0 HH TYR A 19 8.811 0.852 -4.586 1.00 72.03 H new ATOM 306 N GLY A 20 12.841 5.144 2.119 1.00 34.21 N ATOM 307 CA GLY A 20 13.263 5.654 3.410 1.00 31.04 C ATOM 308 C GLY A 20 12.435 5.099 4.552 1.00 33.22 C ATOM 309 O GLY A 20 12.369 5.695 5.627 1.00 13.21 O ATOM 0 H GLY A 20 13.296 4.278 1.831 1.00 34.21 H new ATOM 0 HA2 GLY A 20 14.312 5.404 3.571 1.00 31.04 H new ATOM 0 HA3 GLY A 20 13.191 6.742 3.409 1.00 31.04 H new ATOM 313 N ARG A 21 11.800 3.955 4.319 1.00 72.21 N ATOM 314 CA ARG A 21 10.969 3.321 5.336 1.00 62.13 C ATOM 315 C ARG A 21 10.652 1.878 4.956 1.00 74.40 C ATOM 316 O ARG A 21 10.732 1.499 3.787 1.00 63.02 O ATOM 317 CB ARG A 21 9.671 4.107 5.527 1.00 73.24 C ATOM 318 CG ARG A 21 8.807 4.169 4.277 1.00 3.33 C ATOM 319 CD ARG A 21 9.214 5.325 3.376 1.00 21.22 C ATOM 320 NE ARG A 21 8.071 5.897 2.670 1.00 60.44 N ATOM 321 CZ ARG A 21 7.169 6.682 3.246 1.00 14.44 C ATOM 322 NH1 ARG A 21 7.276 6.989 4.532 1.00 62.50 N ATOM 323 NH2 ARG A 21 6.156 7.164 2.537 1.00 42.22 N ATOM 0 H ARG A 21 11.845 3.448 3.435 1.00 72.21 H new ATOM 0 HA ARG A 21 11.525 3.318 6.274 1.00 62.13 H new ATOM 0 HB2 ARG A 21 9.096 3.652 6.334 1.00 73.24 H new ATOM 0 HB3 ARG A 21 9.914 5.122 5.841 1.00 73.24 H new ATOM 0 HG2 ARG A 21 8.891 3.231 3.728 1.00 3.33 H new ATOM 0 HG3 ARG A 21 7.761 4.279 4.562 1.00 3.33 H new ATOM 0 HD2 ARG A 21 9.695 6.099 3.974 1.00 21.22 H new ATOM 0 HD3 ARG A 21 9.951 4.978 2.652 1.00 21.22 H new ATOM 0 HE ARG A 21 7.960 5.681 1.679 1.00 60.44 H new ATOM 0 HH11 ARG A 21 8.053 6.622 5.081 1.00 62.50 H new ATOM 0 HH12 ARG A 21 6.581 7.593 4.972 1.00 62.50 H new ATOM 0 HH21 ARG A 21 6.070 6.931 1.548 1.00 42.22 H new ATOM 0 HH22 ARG A 21 5.464 7.767 2.981 1.00 42.22 H new ATOM 337 N THR A 22 10.290 1.075 5.952 1.00 24.41 N ATOM 338 CA THR A 22 9.962 -0.327 5.724 1.00 45.14 C ATOM 339 C THR A 22 8.499 -0.608 6.044 1.00 72.35 C ATOM 340 O THR A 22 7.913 -1.559 5.527 1.00 63.14 O ATOM 341 CB THR A 22 10.850 -1.257 6.572 1.00 33.13 C ATOM 342 OG1 THR A 22 11.264 -0.584 7.766 1.00 3.30 O ATOM 343 CG2 THR A 22 12.072 -1.705 5.786 1.00 44.43 C ATOM 0 H THR A 22 10.217 1.372 6.925 1.00 24.41 H new ATOM 0 HA THR A 22 10.145 -0.527 4.668 1.00 45.14 H new ATOM 0 HB THR A 22 10.266 -2.138 6.836 1.00 33.13 H new ATOM 0 HG1 THR A 22 11.827 -1.182 8.300 1.00 3.30 H new ATOM 0 HG21 THR A 22 12.683 -2.361 6.406 1.00 44.43 H new ATOM 0 HG22 THR A 22 11.753 -2.243 4.893 1.00 44.43 H new ATOM 0 HG23 THR A 22 12.657 -0.833 5.494 1.00 44.43 H new ATOM 351 N GLU A 23 7.914 0.225 6.898 1.00 13.12 N ATOM 352 CA GLU A 23 6.517 0.064 7.286 1.00 4.22 C ATOM 353 C GLU A 23 5.587 0.413 6.128 1.00 42.20 C ATOM 354 O GLU A 23 5.487 1.571 5.725 1.00 0.21 O ATOM 355 CB GLU A 23 6.196 0.945 8.496 1.00 64.23 C ATOM 356 CG GLU A 23 4.928 0.537 9.226 1.00 21.33 C ATOM 357 CD GLU A 23 5.049 -0.821 9.890 1.00 74.40 C ATOM 358 OE1 GLU A 23 4.912 -1.841 9.182 1.00 71.21 O ATOM 359 OE2 GLU A 23 5.279 -0.865 11.116 1.00 0.34 O ATOM 0 H GLU A 23 8.385 1.018 7.334 1.00 13.12 H new ATOM 0 HA GLU A 23 6.359 -0.981 7.554 1.00 4.22 H new ATOM 0 HB2 GLU A 23 7.034 0.910 9.193 1.00 64.23 H new ATOM 0 HB3 GLU A 23 6.099 1.979 8.166 1.00 64.23 H new ATOM 0 HG2 GLU A 23 4.691 1.287 9.981 1.00 21.33 H new ATOM 0 HG3 GLU A 23 4.097 0.520 8.521 1.00 21.33 H new ATOM 366 N GLY A 24 4.908 -0.599 5.596 1.00 2.12 N ATOM 367 CA GLY A 24 3.996 -0.380 4.489 1.00 13.32 C ATOM 368 C GLY A 24 4.655 -0.599 3.142 1.00 2.31 C ATOM 369 O GLY A 24 3.976 -0.788 2.133 1.00 35.13 O ATOM 0 H GLY A 24 4.973 -1.567 5.912 1.00 2.12 H new ATOM 0 HA2 GLY A 24 3.144 -1.052 4.586 1.00 13.32 H new ATOM 0 HA3 GLY A 24 3.607 0.637 4.539 1.00 13.32 H new ATOM 373 N VAL A 25 5.984 -0.571 3.124 1.00 21.20 N ATOM 374 CA VAL A 25 6.736 -0.768 1.890 1.00 1.35 C ATOM 375 C VAL A 25 7.204 -2.213 1.756 1.00 13.51 C ATOM 376 O VAL A 25 7.166 -2.790 0.670 1.00 72.34 O ATOM 377 CB VAL A 25 7.960 0.165 1.825 1.00 63.31 C ATOM 378 CG1 VAL A 25 8.615 0.090 0.454 1.00 5.41 C ATOM 379 CG2 VAL A 25 7.559 1.594 2.156 1.00 1.24 C ATOM 0 H VAL A 25 6.562 -0.414 3.950 1.00 21.20 H new ATOM 0 HA VAL A 25 6.062 -0.530 1.067 1.00 1.35 H new ATOM 0 HB VAL A 25 8.687 -0.165 2.567 1.00 63.31 H new ATOM 0 HG11 VAL A 25 9.478 0.755 0.426 1.00 5.41 H new ATOM 0 HG12 VAL A 25 8.939 -0.933 0.261 1.00 5.41 H new ATOM 0 HG13 VAL A 25 7.898 0.393 -0.309 1.00 5.41 H new ATOM 0 HG21 VAL A 25 8.436 2.239 2.105 1.00 1.24 H new ATOM 0 HG22 VAL A 25 6.814 1.938 1.439 1.00 1.24 H new ATOM 0 HG23 VAL A 25 7.139 1.631 3.161 1.00 1.24 H new ATOM 389 N VAL A 26 7.645 -2.792 2.868 1.00 13.12 N ATOM 390 CA VAL A 26 8.119 -4.171 2.876 1.00 54.23 C ATOM 391 C VAL A 26 7.063 -5.118 2.315 1.00 3.43 C ATOM 392 O VAL A 26 7.390 -6.140 1.714 1.00 21.54 O ATOM 393 CB VAL A 26 8.498 -4.626 4.297 1.00 21.13 C ATOM 394 CG1 VAL A 26 9.664 -3.806 4.827 1.00 3.05 C ATOM 395 CG2 VAL A 26 7.298 -4.525 5.227 1.00 41.31 C ATOM 0 H VAL A 26 7.684 -2.328 3.775 1.00 13.12 H new ATOM 0 HA VAL A 26 9.006 -4.205 2.244 1.00 54.23 H new ATOM 0 HB VAL A 26 8.809 -5.670 4.255 1.00 21.13 H new ATOM 0 HG11 VAL A 26 9.918 -4.142 5.832 1.00 3.05 H new ATOM 0 HG12 VAL A 26 10.526 -3.935 4.173 1.00 3.05 H new ATOM 0 HG13 VAL A 26 9.385 -2.753 4.856 1.00 3.05 H new ATOM 0 HG21 VAL A 26 7.584 -4.851 6.227 1.00 41.31 H new ATOM 0 HG22 VAL A 26 6.954 -3.491 5.266 1.00 41.31 H new ATOM 0 HG23 VAL A 26 6.495 -5.161 4.855 1.00 41.31 H new ATOM 405 N GLU A 27 5.796 -4.769 2.516 1.00 4.32 N ATOM 406 CA GLU A 27 4.693 -5.589 2.031 1.00 53.34 C ATOM 407 C GLU A 27 4.576 -5.500 0.512 1.00 41.33 C ATOM 408 O GLU A 27 4.070 -6.415 -0.139 1.00 14.51 O ATOM 409 CB GLU A 27 3.378 -5.151 2.681 1.00 65.04 C ATOM 410 CG GLU A 27 3.078 -5.866 3.987 1.00 2.55 C ATOM 411 CD GLU A 27 2.462 -7.235 3.776 1.00 50.34 C ATOM 412 OE1 GLU A 27 3.225 -8.216 3.654 1.00 4.23 O ATOM 413 OE2 GLU A 27 1.217 -7.325 3.731 1.00 65.43 O ATOM 0 H GLU A 27 5.509 -3.925 3.011 1.00 4.32 H new ATOM 0 HA GLU A 27 4.897 -6.625 2.303 1.00 53.34 H new ATOM 0 HB2 GLU A 27 3.413 -4.077 2.864 1.00 65.04 H new ATOM 0 HB3 GLU A 27 2.560 -5.329 1.983 1.00 65.04 H new ATOM 0 HG2 GLU A 27 4.000 -5.971 4.559 1.00 2.55 H new ATOM 0 HG3 GLU A 27 2.400 -5.255 4.584 1.00 2.55 H new ATOM 420 N THR A 28 5.048 -4.390 -0.048 1.00 61.13 N ATOM 421 CA THR A 28 4.996 -4.179 -1.489 1.00 73.34 C ATOM 422 C THR A 28 6.059 -5.005 -2.205 1.00 12.02 C ATOM 423 O THR A 28 5.741 -5.889 -3.000 1.00 64.24 O ATOM 424 CB THR A 28 5.189 -2.694 -1.847 1.00 51.43 C ATOM 425 OG1 THR A 28 4.801 -1.869 -0.743 1.00 23.25 O ATOM 426 CG2 THR A 28 4.372 -2.322 -3.075 1.00 75.02 C ATOM 0 H THR A 28 5.471 -3.623 0.475 1.00 61.13 H new ATOM 0 HA THR A 28 4.008 -4.499 -1.819 1.00 73.34 H new ATOM 0 HB THR A 28 6.244 -2.532 -2.069 1.00 51.43 H new ATOM 0 HG1 THR A 28 4.928 -0.926 -0.978 1.00 23.25 H new ATOM 0 HG21 THR A 28 4.525 -1.268 -3.308 1.00 75.02 H new ATOM 0 HG22 THR A 28 4.690 -2.931 -3.922 1.00 75.02 H new ATOM 0 HG23 THR A 28 3.315 -2.500 -2.877 1.00 75.02 H new ATOM 434 N VAL A 29 7.323 -4.712 -1.916 1.00 51.54 N ATOM 435 CA VAL A 29 8.434 -5.429 -2.531 1.00 54.41 C ATOM 436 C VAL A 29 8.302 -6.932 -2.319 1.00 32.45 C ATOM 437 O VAL A 29 8.439 -7.718 -3.258 1.00 13.24 O ATOM 438 CB VAL A 29 9.787 -4.958 -1.966 1.00 51.11 C ATOM 439 CG1 VAL A 29 10.931 -5.730 -2.606 1.00 54.23 C ATOM 440 CG2 VAL A 29 9.960 -3.461 -2.176 1.00 33.14 C ATOM 0 H VAL A 29 7.603 -3.983 -1.260 1.00 51.54 H new ATOM 0 HA VAL A 29 8.399 -5.212 -3.599 1.00 54.41 H new ATOM 0 HB VAL A 29 9.802 -5.156 -0.894 1.00 51.11 H new ATOM 0 HG11 VAL A 29 11.879 -5.383 -2.194 1.00 54.23 H new ATOM 0 HG12 VAL A 29 10.813 -6.794 -2.399 1.00 54.23 H new ATOM 0 HG13 VAL A 29 10.922 -5.567 -3.684 1.00 54.23 H new ATOM 0 HG21 VAL A 29 10.921 -3.145 -1.771 1.00 33.14 H new ATOM 0 HG22 VAL A 29 9.924 -3.237 -3.242 1.00 33.14 H new ATOM 0 HG23 VAL A 29 9.158 -2.927 -1.666 1.00 33.14 H new ATOM 450 N LEU A 30 8.035 -7.328 -1.079 1.00 11.23 N ATOM 451 CA LEU A 30 7.884 -8.739 -0.742 1.00 35.05 C ATOM 452 C LEU A 30 6.877 -9.415 -1.667 1.00 32.02 C ATOM 453 O LEU A 30 7.148 -10.477 -2.226 1.00 24.23 O ATOM 454 CB LEU A 30 7.438 -8.891 0.714 1.00 52.11 C ATOM 455 CG LEU A 30 6.896 -10.265 1.110 1.00 51.21 C ATOM 456 CD1 LEU A 30 7.947 -11.340 0.880 1.00 53.23 C ATOM 457 CD2 LEU A 30 6.443 -10.261 2.563 1.00 65.11 C ATOM 0 H LEU A 30 7.919 -6.692 -0.290 1.00 11.23 H new ATOM 0 HA LEU A 30 8.852 -9.224 -0.872 1.00 35.05 H new ATOM 0 HB2 LEU A 30 8.285 -8.657 1.359 1.00 52.11 H new ATOM 0 HB3 LEU A 30 6.668 -8.147 0.917 1.00 52.11 H new ATOM 0 HG LEU A 30 6.034 -10.489 0.482 1.00 51.21 H new ATOM 0 HD11 LEU A 30 7.543 -12.311 1.167 1.00 53.23 H new ATOM 0 HD12 LEU A 30 8.223 -11.359 -0.174 1.00 53.23 H new ATOM 0 HD13 LEU A 30 8.829 -11.121 1.482 1.00 53.23 H new ATOM 0 HD21 LEU A 30 6.060 -11.247 2.828 1.00 65.11 H new ATOM 0 HD22 LEU A 30 7.287 -10.015 3.207 1.00 65.11 H new ATOM 0 HD23 LEU A 30 5.656 -9.518 2.697 1.00 65.11 H new ATOM 469 N ALA A 31 5.714 -8.791 -1.825 1.00 44.43 N ATOM 470 CA ALA A 31 4.669 -9.330 -2.686 1.00 51.41 C ATOM 471 C ALA A 31 5.186 -9.553 -4.103 1.00 73.23 C ATOM 472 O ALA A 31 4.843 -10.542 -4.750 1.00 72.22 O ATOM 473 CB ALA A 31 3.466 -8.398 -2.702 1.00 31.22 C ATOM 0 H ALA A 31 5.472 -7.912 -1.368 1.00 44.43 H new ATOM 0 HA ALA A 31 4.362 -10.295 -2.283 1.00 51.41 H new ATOM 0 HB1 ALA A 31 2.693 -8.813 -3.349 1.00 31.22 H new ATOM 0 HB2 ALA A 31 3.074 -8.292 -1.690 1.00 31.22 H new ATOM 0 HB3 ALA A 31 3.768 -7.421 -3.078 1.00 31.22 H new ATOM 479 N ALA A 32 6.012 -8.627 -4.580 1.00 34.51 N ATOM 480 CA ALA A 32 6.576 -8.725 -5.920 1.00 44.31 C ATOM 481 C ALA A 32 7.637 -9.818 -5.991 1.00 34.50 C ATOM 482 O ALA A 32 7.835 -10.437 -7.036 1.00 1.41 O ATOM 483 CB ALA A 32 7.166 -7.387 -6.343 1.00 20.33 C ATOM 0 H ALA A 32 6.305 -7.801 -4.058 1.00 34.51 H new ATOM 0 HA ALA A 32 5.772 -8.990 -6.607 1.00 44.31 H new ATOM 0 HB1 ALA A 32 7.584 -7.474 -7.346 1.00 20.33 H new ATOM 0 HB2 ALA A 32 6.384 -6.628 -6.341 1.00 20.33 H new ATOM 0 HB3 ALA A 32 7.953 -7.100 -5.646 1.00 20.33 H new ATOM 489 N ASN A 33 8.316 -10.051 -4.872 1.00 74.54 N ATOM 490 CA ASN A 33 9.357 -11.070 -4.809 1.00 20.44 C ATOM 491 C ASN A 33 9.123 -12.015 -3.633 1.00 51.24 C ATOM 492 O ASN A 33 9.811 -11.960 -2.614 1.00 42.11 O ATOM 493 CB ASN A 33 10.734 -10.415 -4.684 1.00 51.11 C ATOM 494 CG ASN A 33 11.325 -10.050 -6.032 1.00 74.13 C ATOM 495 OD1 ASN A 33 12.133 -10.792 -6.590 1.00 24.45 O ATOM 496 ND2 ASN A 33 10.922 -8.901 -6.563 1.00 61.31 N ATOM 0 H ASN A 33 8.164 -9.548 -3.998 1.00 74.54 H new ATOM 0 HA ASN A 33 9.320 -11.649 -5.731 1.00 20.44 H new ATOM 0 HB2 ASN A 33 10.652 -9.517 -4.071 1.00 51.11 H new ATOM 0 HB3 ASN A 33 11.411 -11.094 -4.166 1.00 51.11 H new ATOM 0 HD21 ASN A 33 11.284 -8.603 -7.469 1.00 61.31 H new ATOM 0 HD22 ASN A 33 10.250 -8.317 -6.065 1.00 61.31 H new ATOM 503 N PRO A 34 8.128 -12.903 -3.777 1.00 64.24 N ATOM 504 CA PRO A 34 7.781 -13.878 -2.739 1.00 11.42 C ATOM 505 C PRO A 34 8.849 -14.953 -2.572 1.00 41.01 C ATOM 506 O PRO A 34 9.428 -15.423 -3.550 1.00 64.13 O ATOM 507 CB PRO A 34 6.477 -14.494 -3.252 1.00 43.15 C ATOM 508 CG PRO A 34 6.530 -14.315 -4.731 1.00 24.05 C ATOM 509 CD PRO A 34 7.267 -13.025 -4.965 1.00 71.34 C ATOM 0 HA PRO A 34 7.691 -13.413 -1.757 1.00 11.42 H new ATOM 0 HB2 PRO A 34 6.404 -15.548 -2.983 1.00 43.15 H new ATOM 0 HB3 PRO A 34 5.608 -13.995 -2.824 1.00 43.15 H new ATOM 0 HG2 PRO A 34 7.044 -15.150 -5.207 1.00 24.05 H new ATOM 0 HG3 PRO A 34 5.527 -14.274 -5.156 1.00 24.05 H new ATOM 0 HD2 PRO A 34 7.853 -13.058 -5.884 1.00 71.34 H new ATOM 0 HD3 PRO A 34 6.582 -12.181 -5.053 1.00 71.34 H new ATOM 517 N GLY A 35 9.105 -15.339 -1.326 1.00 12.24 N ATOM 518 CA GLY A 35 10.103 -16.357 -1.054 1.00 40.51 C ATOM 519 C GLY A 35 11.483 -15.770 -0.830 1.00 32.20 C ATOM 520 O GLY A 35 12.374 -16.442 -0.308 1.00 14.33 O ATOM 0 H GLY A 35 8.639 -14.965 -0.500 1.00 12.24 H new ATOM 0 HA2 GLY A 35 9.806 -16.926 -0.173 1.00 40.51 H new ATOM 0 HA3 GLY A 35 10.140 -17.057 -1.889 1.00 40.51 H new ATOM 524 N LEU A 36 11.662 -14.515 -1.227 1.00 31.14 N ATOM 525 CA LEU A 36 12.944 -13.838 -1.068 1.00 24.22 C ATOM 526 C LEU A 36 13.098 -13.288 0.346 1.00 22.05 C ATOM 527 O LEU A 36 14.191 -13.300 0.912 1.00 31.34 O ATOM 528 CB LEU A 36 13.074 -12.704 -2.086 1.00 11.44 C ATOM 529 CG LEU A 36 14.498 -12.334 -2.501 1.00 63.11 C ATOM 530 CD1 LEU A 36 15.280 -11.799 -1.311 1.00 54.43 C ATOM 531 CD2 LEU A 36 15.206 -13.537 -3.108 1.00 53.13 C ATOM 0 H LEU A 36 10.936 -13.946 -1.661 1.00 31.14 H new ATOM 0 HA LEU A 36 13.736 -14.567 -1.242 1.00 24.22 H new ATOM 0 HB2 LEU A 36 12.517 -12.981 -2.981 1.00 11.44 H new ATOM 0 HB3 LEU A 36 12.595 -11.816 -1.674 1.00 11.44 H new ATOM 0 HG LEU A 36 14.443 -11.550 -3.256 1.00 63.11 H new ATOM 0 HD11 LEU A 36 16.291 -11.541 -1.626 1.00 54.43 H new ATOM 0 HD12 LEU A 36 14.784 -10.911 -0.920 1.00 54.43 H new ATOM 0 HD13 LEU A 36 15.326 -12.561 -0.533 1.00 54.43 H new ATOM 0 HD21 LEU A 36 16.218 -13.255 -3.398 1.00 53.13 H new ATOM 0 HD22 LEU A 36 15.249 -14.342 -2.374 1.00 53.13 H new ATOM 0 HD23 LEU A 36 14.658 -13.876 -3.987 1.00 53.13 H new ATOM 543 N ALA A 37 11.996 -12.808 0.912 1.00 13.23 N ATOM 544 CA ALA A 37 12.007 -12.257 2.262 1.00 62.41 C ATOM 545 C ALA A 37 12.314 -13.338 3.293 1.00 65.01 C ATOM 546 O ALA A 37 12.711 -13.039 4.419 1.00 72.02 O ATOM 547 CB ALA A 37 10.674 -11.593 2.572 1.00 1.12 C ATOM 0 H ALA A 37 11.084 -12.789 0.457 1.00 13.23 H new ATOM 0 HA ALA A 37 12.795 -11.506 2.315 1.00 62.41 H new ATOM 0 HB1 ALA A 37 10.697 -11.186 3.583 1.00 1.12 H new ATOM 0 HB2 ALA A 37 10.495 -10.787 1.860 1.00 1.12 H new ATOM 0 HB3 ALA A 37 9.874 -12.329 2.495 1.00 1.12 H new ATOM 553 N GLU A 38 12.128 -14.594 2.900 1.00 22.42 N ATOM 554 CA GLU A 38 12.385 -15.719 3.792 1.00 14.14 C ATOM 555 C GLU A 38 13.833 -16.186 3.677 1.00 53.10 C ATOM 556 O GLU A 38 14.202 -17.238 4.201 1.00 14.32 O ATOM 557 CB GLU A 38 11.437 -16.877 3.474 1.00 32.35 C ATOM 558 CG GLU A 38 10.033 -16.683 4.023 1.00 70.15 C ATOM 559 CD GLU A 38 9.309 -17.996 4.252 1.00 43.25 C ATOM 560 OE1 GLU A 38 9.974 -18.978 4.643 1.00 34.14 O ATOM 561 OE2 GLU A 38 8.080 -18.041 4.039 1.00 72.12 O ATOM 0 H GLU A 38 11.801 -14.858 1.971 1.00 22.42 H new ATOM 0 HA GLU A 38 12.210 -15.386 4.815 1.00 14.14 H new ATOM 0 HB2 GLU A 38 11.381 -17.003 2.393 1.00 32.35 H new ATOM 0 HB3 GLU A 38 11.853 -17.798 3.881 1.00 32.35 H new ATOM 0 HG2 GLU A 38 10.087 -16.134 4.963 1.00 70.15 H new ATOM 0 HG3 GLU A 38 9.457 -16.071 3.329 1.00 70.15 H new ATOM 568 N LEU A 39 14.649 -15.397 2.987 1.00 61.21 N ATOM 569 CA LEU A 39 16.058 -15.729 2.801 1.00 15.21 C ATOM 570 C LEU A 39 16.823 -15.607 4.115 1.00 45.45 C ATOM 571 O LEU A 39 17.506 -16.539 4.536 1.00 32.51 O ATOM 572 CB LEU A 39 16.682 -14.814 1.746 1.00 23.12 C ATOM 573 CG LEU A 39 18.026 -15.268 1.175 1.00 71.42 C ATOM 574 CD1 LEU A 39 19.126 -15.117 2.214 1.00 63.05 C ATOM 575 CD2 LEU A 39 17.940 -16.709 0.692 1.00 44.01 C ATOM 0 H LEU A 39 14.360 -14.523 2.547 1.00 61.21 H new ATOM 0 HA LEU A 39 16.122 -16.762 2.460 1.00 15.21 H new ATOM 0 HB2 LEU A 39 15.976 -14.709 0.922 1.00 23.12 H new ATOM 0 HB3 LEU A 39 16.811 -13.824 2.183 1.00 23.12 H new ATOM 0 HG LEU A 39 18.270 -14.634 0.323 1.00 71.42 H new ATOM 0 HD11 LEU A 39 20.075 -15.445 1.790 1.00 63.05 H new ATOM 0 HD12 LEU A 39 19.204 -14.071 2.512 1.00 63.05 H new ATOM 0 HD13 LEU A 39 18.889 -15.726 3.086 1.00 63.05 H new ATOM 0 HD21 LEU A 39 18.905 -17.016 0.289 1.00 44.01 H new ATOM 0 HD22 LEU A 39 17.673 -17.357 1.527 1.00 44.01 H new ATOM 0 HD23 LEU A 39 17.180 -16.787 -0.086 1.00 44.01 H new ATOM 587 N GLY A 40 16.704 -14.449 4.758 1.00 34.43 N ATOM 588 CA GLY A 40 17.388 -14.227 6.018 1.00 24.24 C ATOM 589 C GLY A 40 17.762 -12.773 6.227 1.00 43.05 C ATOM 590 O GLY A 40 17.206 -11.884 5.583 1.00 42.05 O ATOM 0 H GLY A 40 16.146 -13.661 4.429 1.00 34.43 H new ATOM 0 HA2 GLY A 40 16.749 -14.556 6.838 1.00 24.24 H new ATOM 0 HA3 GLY A 40 18.289 -14.839 6.051 1.00 24.24 H new ATOM 594 N ALA A 41 18.706 -12.530 7.130 1.00 42.21 N ATOM 595 CA ALA A 41 19.154 -11.173 7.421 1.00 73.41 C ATOM 596 C ALA A 41 19.781 -10.527 6.191 1.00 40.52 C ATOM 597 O ALA A 41 19.382 -9.438 5.778 1.00 51.42 O ATOM 598 CB ALA A 41 20.142 -11.181 8.578 1.00 51.52 C ATOM 0 H ALA A 41 19.176 -13.255 7.673 1.00 42.21 H new ATOM 0 HA ALA A 41 18.284 -10.582 7.705 1.00 73.41 H new ATOM 0 HB1 ALA A 41 20.468 -10.162 8.785 1.00 51.52 H new ATOM 0 HB2 ALA A 41 19.661 -11.595 9.464 1.00 51.52 H new ATOM 0 HB3 ALA A 41 21.005 -11.792 8.315 1.00 51.52 H new ATOM 604 N VAL A 42 20.766 -11.203 5.609 1.00 22.52 N ATOM 605 CA VAL A 42 21.449 -10.695 4.426 1.00 52.44 C ATOM 606 C VAL A 42 20.965 -11.402 3.165 1.00 33.51 C ATOM 607 O VAL A 42 20.563 -12.566 3.209 1.00 63.25 O ATOM 608 CB VAL A 42 22.975 -10.864 4.542 1.00 43.51 C ATOM 609 CG1 VAL A 42 23.680 -10.152 3.397 1.00 22.02 C ATOM 610 CG2 VAL A 42 23.467 -10.347 5.885 1.00 3.34 C ATOM 0 H VAL A 42 21.109 -12.105 5.938 1.00 22.52 H new ATOM 0 HA VAL A 42 21.213 -9.633 4.357 1.00 52.44 H new ATOM 0 HB VAL A 42 23.211 -11.926 4.478 1.00 43.51 H new ATOM 0 HG11 VAL A 42 24.758 -10.282 3.496 1.00 22.02 H new ATOM 0 HG12 VAL A 42 23.349 -10.573 2.448 1.00 22.02 H new ATOM 0 HG13 VAL A 42 23.439 -9.089 3.426 1.00 22.02 H new ATOM 0 HG21 VAL A 42 24.548 -10.474 5.950 1.00 3.34 H new ATOM 0 HG22 VAL A 42 23.220 -9.290 5.981 1.00 3.34 H new ATOM 0 HG23 VAL A 42 22.987 -10.906 6.688 1.00 3.34 H new ATOM 620 N LEU A 43 21.005 -10.693 2.043 1.00 64.34 N ATOM 621 CA LEU A 43 20.571 -11.254 0.768 1.00 43.45 C ATOM 622 C LEU A 43 21.768 -11.692 -0.070 1.00 61.13 C ATOM 623 O LEU A 43 22.902 -11.266 0.151 1.00 13.31 O ATOM 624 CB LEU A 43 19.741 -10.228 -0.006 1.00 72.23 C ATOM 625 CG LEU A 43 18.224 -10.413 0.050 1.00 70.35 C ATOM 626 CD1 LEU A 43 17.753 -10.531 1.491 1.00 43.51 C ATOM 627 CD2 LEU A 43 17.520 -9.260 -0.651 1.00 71.53 C ATOM 0 H LEU A 43 21.333 -9.729 1.990 1.00 64.34 H new ATOM 0 HA LEU A 43 19.956 -12.130 0.975 1.00 43.45 H new ATOM 0 HB2 LEU A 43 19.980 -9.235 0.375 1.00 72.23 H new ATOM 0 HB3 LEU A 43 20.052 -10.252 -1.050 1.00 72.23 H new ATOM 0 HG LEU A 43 17.971 -11.337 -0.470 1.00 70.35 H new ATOM 0 HD11 LEU A 43 16.671 -10.662 1.511 1.00 43.51 H new ATOM 0 HD12 LEU A 43 18.231 -11.390 1.961 1.00 43.51 H new ATOM 0 HD13 LEU A 43 18.019 -9.625 2.036 1.00 43.51 H new ATOM 0 HD21 LEU A 43 16.441 -9.408 -0.601 1.00 71.53 H new ATOM 0 HD22 LEU A 43 17.780 -8.322 -0.160 1.00 71.53 H new ATOM 0 HD23 LEU A 43 17.833 -9.223 -1.694 1.00 71.53 H new ATOM 639 N PRO A 44 21.512 -12.563 -1.058 1.00 23.02 N ATOM 640 CA PRO A 44 22.555 -13.076 -1.951 1.00 24.12 C ATOM 641 C PRO A 44 23.085 -12.006 -2.899 1.00 55.23 C ATOM 642 O PRO A 44 22.353 -11.501 -3.752 1.00 63.42 O ATOM 643 CB PRO A 44 21.840 -14.179 -2.735 1.00 22.21 C ATOM 644 CG PRO A 44 20.401 -13.795 -2.702 1.00 21.33 C ATOM 645 CD PRO A 44 20.185 -13.114 -1.379 1.00 12.50 C ATOM 0 HA PRO A 44 23.428 -13.424 -1.399 1.00 24.12 H new ATOM 0 HB2 PRO A 44 22.210 -14.241 -3.758 1.00 22.21 H new ATOM 0 HB3 PRO A 44 22.000 -15.156 -2.279 1.00 22.21 H new ATOM 0 HG2 PRO A 44 20.156 -13.128 -3.529 1.00 21.33 H new ATOM 0 HG3 PRO A 44 19.761 -14.672 -2.799 1.00 21.33 H new ATOM 0 HD2 PRO A 44 19.431 -12.330 -1.449 1.00 12.50 H new ATOM 0 HD3 PRO A 44 19.846 -13.815 -0.617 1.00 12.50 H new ATOM 653 N HIS A 45 24.360 -11.663 -2.746 1.00 32.34 N ATOM 654 CA HIS A 45 24.987 -10.653 -3.590 1.00 1.10 C ATOM 655 C HIS A 45 24.894 -11.041 -5.063 1.00 34.15 C ATOM 656 O HIS A 45 25.272 -12.146 -5.449 1.00 5.03 O ATOM 657 CB HIS A 45 26.451 -10.463 -3.192 1.00 62.25 C ATOM 658 CG HIS A 45 27.299 -11.675 -3.432 1.00 53.41 C ATOM 659 ND1 HIS A 45 27.486 -12.661 -2.487 1.00 0.00 N ATOM 660 CD2 HIS A 45 28.010 -12.057 -4.519 1.00 14.23 C ATOM 661 CE1 HIS A 45 28.277 -13.597 -2.981 1.00 51.31 C ATOM 662 NE2 HIS A 45 28.608 -13.254 -4.213 1.00 24.20 N ATOM 0 H HIS A 45 24.979 -12.070 -2.045 1.00 32.34 H new ATOM 0 HA HIS A 45 24.454 -9.713 -3.446 1.00 1.10 H new ATOM 0 HB2 HIS A 45 26.865 -9.624 -3.751 1.00 62.25 H new ATOM 0 HB3 HIS A 45 26.500 -10.198 -2.136 1.00 62.25 H new ATOM 0 HD2 HIS A 45 28.091 -11.520 -5.453 1.00 14.23 H new ATOM 0 HE1 HIS A 45 28.598 -14.490 -2.466 1.00 51.31 H new ATOM 0 HE2 HIS A 45 29.211 -13.792 -4.836 1.00 24.20 H new ATOM 670 N GLY A 46 24.385 -10.124 -5.880 1.00 64.14 N ATOM 671 CA GLY A 46 24.250 -10.390 -7.301 1.00 24.13 C ATOM 672 C GLY A 46 22.818 -10.681 -7.702 1.00 61.25 C ATOM 673 O GLY A 46 22.505 -10.779 -8.890 1.00 23.24 O ATOM 0 H GLY A 46 24.064 -9.202 -5.584 1.00 64.14 H new ATOM 0 HA2 GLY A 46 24.615 -9.531 -7.865 1.00 24.13 H new ATOM 0 HA3 GLY A 46 24.879 -11.238 -7.570 1.00 24.13 H new ATOM 677 N THR A 47 21.944 -10.822 -6.711 1.00 13.01 N ATOM 678 CA THR A 47 20.537 -11.107 -6.967 1.00 5.34 C ATOM 679 C THR A 47 19.734 -9.820 -7.116 1.00 2.34 C ATOM 680 O THR A 47 19.611 -9.041 -6.171 1.00 34.24 O ATOM 681 CB THR A 47 19.922 -11.955 -5.838 1.00 12.01 C ATOM 682 OG1 THR A 47 20.584 -13.222 -5.761 1.00 33.42 O ATOM 683 CG2 THR A 47 18.434 -12.168 -6.071 1.00 54.40 C ATOM 0 H THR A 47 22.185 -10.744 -5.723 1.00 13.01 H new ATOM 0 HA THR A 47 20.492 -11.670 -7.900 1.00 5.34 H new ATOM 0 HB THR A 47 20.054 -11.419 -4.898 1.00 12.01 H new ATOM 0 HG1 THR A 47 19.941 -13.911 -5.494 1.00 33.42 H new ATOM 0 HG21 THR A 47 18.021 -12.770 -5.261 1.00 54.40 H new ATOM 0 HG22 THR A 47 17.928 -11.203 -6.100 1.00 54.40 H new ATOM 0 HG23 THR A 47 18.284 -12.685 -7.019 1.00 54.40 H new ATOM 691 N ALA A 48 19.189 -9.603 -8.308 1.00 43.51 N ATOM 692 CA ALA A 48 18.395 -8.411 -8.579 1.00 42.35 C ATOM 693 C ALA A 48 17.064 -8.458 -7.838 1.00 14.41 C ATOM 694 O ALA A 48 16.558 -9.533 -7.516 1.00 23.10 O ATOM 695 CB ALA A 48 18.163 -8.260 -10.076 1.00 22.53 C ATOM 0 H ALA A 48 19.283 -10.237 -9.102 1.00 43.51 H new ATOM 0 HA ALA A 48 18.951 -7.545 -8.219 1.00 42.35 H new ATOM 0 HB1 ALA A 48 17.569 -7.366 -10.264 1.00 22.53 H new ATOM 0 HB2 ALA A 48 19.122 -8.172 -10.586 1.00 22.53 H new ATOM 0 HB3 ALA A 48 17.632 -9.134 -10.452 1.00 22.53 H new ATOM 701 N VAL A 49 16.500 -7.284 -7.569 1.00 33.44 N ATOM 702 CA VAL A 49 15.226 -7.192 -6.865 1.00 1.21 C ATOM 703 C VAL A 49 14.363 -6.072 -7.435 1.00 61.04 C ATOM 704 O VAL A 49 14.786 -4.918 -7.493 1.00 51.11 O ATOM 705 CB VAL A 49 15.434 -6.948 -5.358 1.00 72.22 C ATOM 706 CG1 VAL A 49 14.109 -7.031 -4.616 1.00 73.41 C ATOM 707 CG2 VAL A 49 16.435 -7.943 -4.791 1.00 43.12 C ATOM 0 H VAL A 49 16.905 -6.384 -7.828 1.00 33.44 H new ATOM 0 HA VAL A 49 14.717 -8.146 -7.005 1.00 1.21 H new ATOM 0 HB VAL A 49 15.837 -5.944 -5.222 1.00 72.22 H new ATOM 0 HG11 VAL A 49 14.276 -6.856 -3.553 1.00 73.41 H new ATOM 0 HG12 VAL A 49 13.426 -6.276 -5.005 1.00 73.41 H new ATOM 0 HG13 VAL A 49 13.674 -8.021 -4.757 1.00 73.41 H new ATOM 0 HG21 VAL A 49 16.570 -7.756 -3.726 1.00 43.12 H new ATOM 0 HG22 VAL A 49 16.063 -8.957 -4.937 1.00 43.12 H new ATOM 0 HG23 VAL A 49 17.391 -7.830 -5.303 1.00 43.12 H new ATOM 717 N GLU A 50 13.151 -6.422 -7.855 1.00 42.44 N ATOM 718 CA GLU A 50 12.229 -5.445 -8.422 1.00 14.10 C ATOM 719 C GLU A 50 11.710 -4.497 -7.344 1.00 61.22 C ATOM 720 O GLU A 50 11.431 -4.912 -6.218 1.00 45.03 O ATOM 721 CB GLU A 50 11.055 -6.153 -9.101 1.00 72.33 C ATOM 722 CG GLU A 50 9.937 -5.213 -9.522 1.00 23.44 C ATOM 723 CD GLU A 50 9.015 -5.829 -10.556 1.00 63.10 C ATOM 724 OE1 GLU A 50 9.115 -7.052 -10.788 1.00 1.13 O ATOM 725 OE2 GLU A 50 8.193 -5.087 -11.134 1.00 4.02 O ATOM 0 H GLU A 50 12.785 -7.373 -7.813 1.00 42.44 H new ATOM 0 HA GLU A 50 12.771 -4.861 -9.165 1.00 14.10 H new ATOM 0 HB2 GLU A 50 11.421 -6.684 -9.979 1.00 72.33 H new ATOM 0 HB3 GLU A 50 10.651 -6.902 -8.420 1.00 72.33 H new ATOM 0 HG2 GLU A 50 9.355 -4.930 -8.645 1.00 23.44 H new ATOM 0 HG3 GLU A 50 10.370 -4.298 -9.926 1.00 23.44 H new ATOM 732 N LEU A 51 11.584 -3.223 -7.697 1.00 12.44 N ATOM 733 CA LEU A 51 11.099 -2.214 -6.760 1.00 63.33 C ATOM 734 C LEU A 51 9.809 -1.576 -7.266 1.00 65.42 C ATOM 735 O LEU A 51 9.823 -0.604 -8.022 1.00 24.34 O ATOM 736 CB LEU A 51 12.164 -1.137 -6.544 1.00 72.23 C ATOM 737 CG LEU A 51 13.428 -1.581 -5.808 1.00 64.33 C ATOM 738 CD1 LEU A 51 14.586 -0.647 -6.124 1.00 13.53 C ATOM 739 CD2 LEU A 51 13.180 -1.638 -4.308 1.00 61.30 C ATOM 0 H LEU A 51 11.810 -2.863 -8.624 1.00 12.44 H new ATOM 0 HA LEU A 51 10.890 -2.706 -5.810 1.00 63.33 H new ATOM 0 HB2 LEU A 51 12.454 -0.741 -7.517 1.00 72.23 H new ATOM 0 HB3 LEU A 51 11.713 -0.315 -5.987 1.00 72.23 H new ATOM 0 HG LEU A 51 13.692 -2.582 -6.150 1.00 64.33 H new ATOM 0 HD11 LEU A 51 15.477 -0.979 -5.591 1.00 13.53 H new ATOM 0 HD12 LEU A 51 14.780 -0.658 -7.197 1.00 13.53 H new ATOM 0 HD13 LEU A 51 14.332 0.366 -5.811 1.00 13.53 H new ATOM 0 HD21 LEU A 51 14.091 -1.956 -3.800 1.00 61.30 H new ATOM 0 HD22 LEU A 51 12.891 -0.650 -3.949 1.00 61.30 H new ATOM 0 HD23 LEU A 51 12.381 -2.349 -4.098 1.00 61.30 H new ATOM 751 N PRO A 52 8.666 -2.134 -6.839 1.00 45.43 N ATOM 752 CA PRO A 52 7.346 -1.634 -7.234 1.00 43.43 C ATOM 753 C PRO A 52 7.031 -0.277 -6.614 1.00 50.42 C ATOM 754 O PRO A 52 7.587 0.087 -5.578 1.00 3.20 O ATOM 755 CB PRO A 52 6.388 -2.701 -6.700 1.00 62.22 C ATOM 756 CG PRO A 52 7.119 -3.332 -5.565 1.00 55.21 C ATOM 757 CD PRO A 52 8.575 -3.294 -5.938 1.00 32.23 C ATOM 0 HA PRO A 52 7.275 -1.478 -8.310 1.00 43.43 H new ATOM 0 HB2 PRO A 52 5.448 -2.259 -6.369 1.00 62.22 H new ATOM 0 HB3 PRO A 52 6.143 -3.433 -7.469 1.00 62.22 H new ATOM 0 HG2 PRO A 52 6.940 -2.790 -4.636 1.00 55.21 H new ATOM 0 HG3 PRO A 52 6.783 -4.357 -5.406 1.00 55.21 H new ATOM 0 HD2 PRO A 52 9.211 -3.173 -5.061 1.00 32.23 H new ATOM 0 HD3 PRO A 52 8.887 -4.213 -6.434 1.00 32.23 H new ATOM 765 N ASP A 53 6.136 0.467 -7.254 1.00 54.32 N ATOM 766 CA ASP A 53 5.745 1.784 -6.764 1.00 40.11 C ATOM 767 C ASP A 53 6.936 2.737 -6.759 1.00 40.31 C ATOM 768 O ASP A 53 7.147 3.479 -5.799 1.00 61.14 O ATOM 769 CB ASP A 53 5.158 1.674 -5.356 1.00 51.31 C ATOM 770 CG ASP A 53 4.099 2.725 -5.087 1.00 2.53 C ATOM 771 OD1 ASP A 53 3.344 3.061 -6.023 1.00 51.13 O ATOM 772 OD2 ASP A 53 4.025 3.212 -3.939 1.00 63.02 O ATOM 0 H ASP A 53 5.667 0.181 -8.114 1.00 54.32 H new ATOM 0 HA ASP A 53 4.985 2.184 -7.436 1.00 40.11 H new ATOM 0 HB2 ASP A 53 4.724 0.683 -5.223 1.00 51.31 H new ATOM 0 HB3 ASP A 53 5.959 1.773 -4.623 1.00 51.31 H new ATOM 777 N VAL A 54 7.713 2.711 -7.837 1.00 51.45 N ATOM 778 CA VAL A 54 8.883 3.573 -7.958 1.00 31.03 C ATOM 779 C VAL A 54 8.783 4.467 -9.189 1.00 21.23 C ATOM 780 O VAL A 54 8.287 4.047 -10.234 1.00 23.44 O ATOM 781 CB VAL A 54 10.181 2.748 -8.040 1.00 2.25 C ATOM 782 CG1 VAL A 54 11.366 3.647 -8.358 1.00 0.43 C ATOM 783 CG2 VAL A 54 10.412 1.988 -6.742 1.00 74.02 C ATOM 0 H VAL A 54 7.553 2.102 -8.640 1.00 51.45 H new ATOM 0 HA VAL A 54 8.912 4.195 -7.063 1.00 31.03 H new ATOM 0 HB VAL A 54 10.079 2.022 -8.847 1.00 2.25 H new ATOM 0 HG11 VAL A 54 12.274 3.047 -8.412 1.00 0.43 H new ATOM 0 HG12 VAL A 54 11.201 4.142 -9.315 1.00 0.43 H new ATOM 0 HG13 VAL A 54 11.473 4.398 -7.575 1.00 0.43 H new ATOM 0 HG21 VAL A 54 11.333 1.410 -6.818 1.00 74.02 H new ATOM 0 HG22 VAL A 54 10.493 2.695 -5.916 1.00 74.02 H new ATOM 0 HG23 VAL A 54 9.575 1.314 -6.561 1.00 74.02 H new ATOM 793 N GLN A 55 9.258 5.701 -9.057 1.00 2.10 N ATOM 794 CA GLN A 55 9.222 6.655 -10.160 1.00 20.45 C ATOM 795 C GLN A 55 7.790 6.889 -10.630 1.00 3.24 C ATOM 796 O GLN A 55 7.552 7.206 -11.796 1.00 13.25 O ATOM 797 CB GLN A 55 10.078 6.153 -11.324 1.00 31.12 C ATOM 798 CG GLN A 55 11.557 6.472 -11.174 1.00 15.42 C ATOM 799 CD GLN A 55 12.313 6.361 -12.483 1.00 24.04 C ATOM 800 OE1 GLN A 55 12.952 5.345 -12.759 1.00 43.31 O ATOM 801 NE2 GLN A 55 12.245 7.408 -13.297 1.00 63.51 N ATOM 0 H GLN A 55 9.672 6.064 -8.198 1.00 2.10 H new ATOM 0 HA GLN A 55 9.627 7.602 -9.802 1.00 20.45 H new ATOM 0 HB2 GLN A 55 9.955 5.074 -11.415 1.00 31.12 H new ATOM 0 HB3 GLN A 55 9.712 6.595 -12.251 1.00 31.12 H new ATOM 0 HG2 GLN A 55 11.669 7.482 -10.779 1.00 15.42 H new ATOM 0 HG3 GLN A 55 11.999 5.793 -10.445 1.00 15.42 H new ATOM 0 HE21 GLN A 55 11.703 8.229 -13.027 1.00 63.51 H new ATOM 0 HE22 GLN A 55 12.734 7.391 -14.192 1.00 63.51 H new ATOM 810 N THR A 56 6.839 6.731 -9.715 1.00 13.23 N ATOM 811 CA THR A 56 5.430 6.924 -10.036 1.00 2.14 C ATOM 812 C THR A 56 5.177 8.326 -10.578 1.00 11.01 C ATOM 813 O THR A 56 5.809 9.291 -10.150 1.00 24.01 O ATOM 814 CB THR A 56 4.536 6.694 -8.802 1.00 64.35 C ATOM 815 OG1 THR A 56 4.895 5.465 -8.160 1.00 51.21 O ATOM 816 CG2 THR A 56 3.068 6.655 -9.198 1.00 50.31 C ATOM 0 H THR A 56 7.019 6.470 -8.746 1.00 13.23 H new ATOM 0 HA THR A 56 5.177 6.190 -10.801 1.00 2.14 H new ATOM 0 HB THR A 56 4.688 7.523 -8.110 1.00 64.35 H new ATOM 0 HG1 THR A 56 4.324 5.327 -7.376 1.00 51.21 H new ATOM 0 HG21 THR A 56 2.456 6.492 -8.311 1.00 50.31 H new ATOM 0 HG22 THR A 56 2.791 7.602 -9.661 1.00 50.31 H new ATOM 0 HG23 THR A 56 2.904 5.843 -9.907 1.00 50.31 H new ATOM 824 N ALA A 57 4.247 8.431 -11.522 1.00 3.31 N ATOM 825 CA ALA A 57 3.909 9.716 -12.121 1.00 13.44 C ATOM 826 C ALA A 57 2.424 9.789 -12.461 1.00 41.14 C ATOM 827 O ALA A 57 1.738 8.773 -12.574 1.00 50.03 O ATOM 828 CB ALA A 57 4.750 9.957 -13.365 1.00 43.01 C ATOM 0 H ALA A 57 3.715 7.642 -11.888 1.00 3.31 H new ATOM 0 HA ALA A 57 4.127 10.497 -11.393 1.00 13.44 H new ATOM 0 HB1 ALA A 57 4.486 10.920 -13.801 1.00 43.01 H new ATOM 0 HB2 ALA A 57 5.806 9.957 -13.096 1.00 43.01 H new ATOM 0 HB3 ALA A 57 4.561 9.166 -14.091 1.00 43.01 H new ATOM 834 N PRO A 58 1.914 11.018 -12.629 1.00 1.31 N ATOM 835 CA PRO A 58 0.505 11.252 -12.959 1.00 42.50 C ATOM 836 C PRO A 58 0.161 10.810 -14.377 1.00 73.10 C ATOM 837 O PRO A 58 0.069 11.631 -15.290 1.00 5.14 O ATOM 838 CB PRO A 58 0.356 12.770 -12.821 1.00 60.34 C ATOM 839 CG PRO A 58 1.726 13.307 -13.053 1.00 10.54 C ATOM 840 CD PRO A 58 2.674 12.274 -12.509 1.00 53.13 C ATOM 0 HA PRO A 58 -0.165 10.684 -12.314 1.00 42.50 H new ATOM 0 HB2 PRO A 58 -0.353 13.166 -13.548 1.00 60.34 H new ATOM 0 HB3 PRO A 58 -0.014 13.043 -11.833 1.00 60.34 H new ATOM 0 HG2 PRO A 58 1.903 13.478 -14.115 1.00 10.54 H new ATOM 0 HG3 PRO A 58 1.861 14.264 -12.549 1.00 10.54 H new ATOM 0 HD2 PRO A 58 3.601 12.239 -13.081 1.00 53.13 H new ATOM 0 HD3 PRO A 58 2.945 12.483 -11.474 1.00 53.13 H new ATOM 848 N VAL A 59 -0.030 9.506 -14.555 1.00 51.54 N ATOM 849 CA VAL A 59 -0.366 8.955 -15.862 1.00 73.15 C ATOM 850 C VAL A 59 -1.569 8.022 -15.773 1.00 2.15 C ATOM 851 O VAL A 59 -1.742 7.310 -14.784 1.00 14.21 O ATOM 852 CB VAL A 59 0.822 8.186 -16.469 1.00 60.45 C ATOM 853 CG1 VAL A 59 0.508 7.755 -17.894 1.00 51.12 C ATOM 854 CG2 VAL A 59 2.084 9.034 -16.426 1.00 53.42 C ATOM 0 H VAL A 59 0.042 8.812 -13.811 1.00 51.54 H new ATOM 0 HA VAL A 59 -0.611 9.799 -16.507 1.00 73.15 H new ATOM 0 HB VAL A 59 0.994 7.290 -15.873 1.00 60.45 H new ATOM 0 HG11 VAL A 59 1.359 7.213 -18.306 1.00 51.12 H new ATOM 0 HG12 VAL A 59 -0.369 7.107 -17.893 1.00 51.12 H new ATOM 0 HG13 VAL A 59 0.308 8.635 -18.505 1.00 51.12 H new ATOM 0 HG21 VAL A 59 2.913 8.475 -16.859 1.00 53.42 H new ATOM 0 HG22 VAL A 59 1.927 9.949 -16.996 1.00 53.42 H new ATOM 0 HG23 VAL A 59 2.318 9.287 -15.392 1.00 53.42 H new ATOM 864 N ALA A 60 -2.397 8.031 -16.812 1.00 43.02 N ATOM 865 CA ALA A 60 -3.582 7.184 -16.852 1.00 31.20 C ATOM 866 C ALA A 60 -3.203 5.717 -17.029 1.00 11.34 C ATOM 867 O ALA A 60 -2.486 5.361 -17.963 1.00 73.10 O ATOM 868 CB ALA A 60 -4.512 7.629 -17.971 1.00 42.21 C ATOM 0 H ALA A 60 -2.269 8.616 -17.638 1.00 43.02 H new ATOM 0 HA ALA A 60 -4.103 7.286 -15.900 1.00 31.20 H new ATOM 0 HB1 ALA A 60 -5.393 6.987 -17.989 1.00 42.21 H new ATOM 0 HB2 ALA A 60 -4.818 8.661 -17.801 1.00 42.21 H new ATOM 0 HB3 ALA A 60 -3.992 7.558 -18.926 1.00 42.21 H new ATOM 874 N GLU A 61 -3.689 4.872 -16.125 1.00 2.24 N ATOM 875 CA GLU A 61 -3.399 3.444 -16.181 1.00 44.42 C ATOM 876 C GLU A 61 -4.265 2.673 -15.190 1.00 13.32 C ATOM 877 O GLU A 61 -4.633 3.191 -14.134 1.00 62.34 O ATOM 878 CB GLU A 61 -1.919 3.190 -15.887 1.00 3.10 C ATOM 879 CG GLU A 61 -1.403 1.877 -16.452 1.00 3.32 C ATOM 880 CD GLU A 61 -0.964 1.997 -17.899 1.00 34.25 C ATOM 881 OE1 GLU A 61 -1.290 3.020 -18.535 1.00 50.41 O ATOM 882 OE2 GLU A 61 -0.295 1.066 -18.394 1.00 32.22 O ATOM 0 H GLU A 61 -4.285 5.151 -15.346 1.00 2.24 H new ATOM 0 HA GLU A 61 -3.628 3.092 -17.187 1.00 44.42 H new ATOM 0 HB2 GLU A 61 -1.330 4.009 -16.298 1.00 3.10 H new ATOM 0 HB3 GLU A 61 -1.765 3.197 -14.808 1.00 3.10 H new ATOM 0 HG2 GLU A 61 -0.563 1.531 -15.849 1.00 3.32 H new ATOM 0 HG3 GLU A 61 -2.184 1.121 -16.375 1.00 3.32 H new ATOM 889 N THR A 62 -4.590 1.432 -15.537 1.00 62.41 N ATOM 890 CA THR A 62 -5.414 0.589 -14.680 1.00 53.03 C ATOM 891 C THR A 62 -4.556 -0.363 -13.855 1.00 1.41 C ATOM 892 O THR A 62 -3.487 -0.789 -14.293 1.00 34.31 O ATOM 893 CB THR A 62 -6.424 -0.232 -15.504 1.00 71.10 C ATOM 894 OG1 THR A 62 -7.223 -1.042 -14.634 1.00 3.11 O ATOM 895 CG2 THR A 62 -5.707 -1.117 -16.513 1.00 32.15 C ATOM 0 H THR A 62 -4.295 0.988 -16.407 1.00 62.41 H new ATOM 0 HA THR A 62 -5.958 1.255 -14.011 1.00 53.03 H new ATOM 0 HB THR A 62 -7.067 0.462 -16.045 1.00 71.10 H new ATOM 0 HG1 THR A 62 -7.864 -1.559 -15.165 1.00 3.11 H new ATOM 0 HG21 THR A 62 -6.441 -1.687 -17.083 1.00 32.15 H new ATOM 0 HG22 THR A 62 -5.123 -0.495 -17.192 1.00 32.15 H new ATOM 0 HG23 THR A 62 -5.043 -1.803 -15.988 1.00 32.15 H new ATOM 903 N VAL A 63 -5.030 -0.693 -12.658 1.00 11.43 N ATOM 904 CA VAL A 63 -4.306 -1.596 -11.771 1.00 74.02 C ATOM 905 C VAL A 63 -5.176 -2.026 -10.596 1.00 34.34 C ATOM 906 O VAL A 63 -6.002 -1.257 -10.107 1.00 55.53 O ATOM 907 CB VAL A 63 -3.020 -0.942 -11.232 1.00 34.23 C ATOM 908 CG1 VAL A 63 -3.358 0.233 -10.326 1.00 63.43 C ATOM 909 CG2 VAL A 63 -2.171 -1.967 -10.495 1.00 42.12 C ATOM 0 H VAL A 63 -5.912 -0.348 -12.280 1.00 11.43 H new ATOM 0 HA VAL A 63 -4.039 -2.473 -12.361 1.00 74.02 H new ATOM 0 HB VAL A 63 -2.443 -0.565 -12.076 1.00 34.23 H new ATOM 0 HG11 VAL A 63 -2.437 0.683 -9.955 1.00 63.43 H new ATOM 0 HG12 VAL A 63 -3.923 0.976 -10.889 1.00 63.43 H new ATOM 0 HG13 VAL A 63 -3.956 -0.117 -9.485 1.00 63.43 H new ATOM 0 HG21 VAL A 63 -1.266 -1.488 -10.121 1.00 42.12 H new ATOM 0 HG22 VAL A 63 -2.738 -2.375 -9.659 1.00 42.12 H new ATOM 0 HG23 VAL A 63 -1.900 -2.773 -11.177 1.00 42.12 H new ATOM 919 N ASN A 64 -4.984 -3.262 -10.145 1.00 53.04 N ATOM 920 CA ASN A 64 -5.752 -3.796 -9.026 1.00 41.40 C ATOM 921 C ASN A 64 -5.540 -2.954 -7.771 1.00 31.40 C ATOM 922 O ASN A 64 -4.472 -2.373 -7.573 1.00 34.13 O ATOM 923 CB ASN A 64 -5.354 -5.248 -8.754 1.00 4.44 C ATOM 924 CG ASN A 64 -6.460 -6.033 -8.076 1.00 63.10 C ATOM 925 OD1 ASN A 64 -7.643 -5.784 -8.305 1.00 14.40 O ATOM 926 ND2 ASN A 64 -6.078 -6.988 -7.236 1.00 61.43 N ATOM 0 H ASN A 64 -4.303 -3.912 -10.537 1.00 53.04 H new ATOM 0 HA ASN A 64 -6.808 -3.760 -9.292 1.00 41.40 H new ATOM 0 HB2 ASN A 64 -5.092 -5.732 -9.695 1.00 4.44 H new ATOM 0 HB3 ASN A 64 -4.462 -5.266 -8.127 1.00 4.44 H new ATOM 0 HD21 ASN A 64 -6.777 -7.550 -6.750 1.00 61.43 H new ATOM 0 HD22 ASN A 64 -5.085 -7.160 -7.076 1.00 61.43 H new ATOM 933 N LEU A 65 -6.563 -2.894 -6.926 1.00 75.42 N ATOM 934 CA LEU A 65 -6.490 -2.125 -5.689 1.00 12.10 C ATOM 935 C LEU A 65 -6.429 -3.048 -4.476 1.00 75.13 C ATOM 936 O LEU A 65 -7.402 -3.730 -4.154 1.00 14.23 O ATOM 937 CB LEU A 65 -7.696 -1.191 -5.574 1.00 34.34 C ATOM 938 CG LEU A 65 -7.479 0.091 -4.769 1.00 64.41 C ATOM 939 CD1 LEU A 65 -8.676 1.018 -4.908 1.00 20.23 C ATOM 940 CD2 LEU A 65 -7.221 -0.236 -3.305 1.00 40.33 C ATOM 0 H LEU A 65 -7.453 -3.369 -7.075 1.00 75.42 H new ATOM 0 HA LEU A 65 -5.578 -1.529 -5.714 1.00 12.10 H new ATOM 0 HB2 LEU A 65 -8.014 -0.915 -6.580 1.00 34.34 H new ATOM 0 HB3 LEU A 65 -8.518 -1.746 -5.121 1.00 34.34 H new ATOM 0 HG LEU A 65 -6.602 0.603 -5.166 1.00 64.41 H new ATOM 0 HD11 LEU A 65 -8.503 1.925 -4.328 1.00 20.23 H new ATOM 0 HD12 LEU A 65 -8.814 1.279 -5.957 1.00 20.23 H new ATOM 0 HD13 LEU A 65 -9.570 0.516 -4.538 1.00 20.23 H new ATOM 0 HD21 LEU A 65 -7.069 0.688 -2.747 1.00 40.33 H new ATOM 0 HD22 LEU A 65 -8.078 -0.770 -2.895 1.00 40.33 H new ATOM 0 HD23 LEU A 65 -6.331 -0.860 -3.223 1.00 40.33 H new ATOM 952 N TRP A 66 -5.282 -3.063 -3.808 1.00 11.12 N ATOM 953 CA TRP A 66 -5.096 -3.901 -2.629 1.00 25.03 C ATOM 954 C TRP A 66 -5.903 -3.369 -1.450 1.00 25.15 C ATOM 955 O TRP A 66 -5.687 -2.246 -0.995 1.00 65.12 O ATOM 956 CB TRP A 66 -3.613 -3.972 -2.258 1.00 34.24 C ATOM 957 CG TRP A 66 -3.372 -4.488 -0.871 1.00 53.40 C ATOM 958 CD1 TRP A 66 -4.029 -5.513 -0.252 1.00 10.51 C ATOM 959 CD2 TRP A 66 -2.408 -4.001 0.069 1.00 41.25 C ATOM 960 NE1 TRP A 66 -3.531 -5.692 1.016 1.00 21.20 N ATOM 961 CE2 TRP A 66 -2.535 -4.778 1.237 1.00 50.15 C ATOM 962 CE3 TRP A 66 -1.448 -2.986 0.036 1.00 0.32 C ATOM 963 CZ2 TRP A 66 -1.739 -4.569 2.360 1.00 60.05 C ATOM 964 CZ3 TRP A 66 -0.659 -2.779 1.152 1.00 61.42 C ATOM 965 CH2 TRP A 66 -0.807 -3.568 2.300 1.00 35.33 C ATOM 0 H TRP A 66 -4.467 -2.505 -4.062 1.00 11.12 H new ATOM 0 HA TRP A 66 -5.453 -4.903 -2.866 1.00 25.03 H new ATOM 0 HB2 TRP A 66 -3.098 -4.615 -2.972 1.00 34.24 H new ATOM 0 HB3 TRP A 66 -3.175 -2.978 -2.350 1.00 34.24 H new ATOM 0 HD1 TRP A 66 -4.823 -6.097 -0.694 1.00 10.51 H new ATOM 0 HE1 TRP A 66 -3.851 -6.392 1.685 1.00 21.20 H new ATOM 0 HE3 TRP A 66 -1.325 -2.374 -0.846 1.00 0.32 H new ATOM 0 HZ2 TRP A 66 -1.853 -5.175 3.247 1.00 60.05 H new ATOM 0 HZ3 TRP A 66 0.084 -1.996 1.139 1.00 61.42 H new ATOM 0 HH2 TRP A 66 -0.173 -3.383 3.155 1.00 35.33 H new ATOM 976 N GLU A 67 -6.832 -4.183 -0.959 1.00 12.22 N ATOM 977 CA GLU A 67 -7.671 -3.792 0.168 1.00 53.42 C ATOM 978 C GLU A 67 -8.545 -4.956 0.626 1.00 61.03 C ATOM 979 O GLU A 67 -9.368 -5.466 -0.135 1.00 2.12 O ATOM 980 CB GLU A 67 -8.551 -2.599 -0.213 1.00 3.33 C ATOM 981 CG GLU A 67 -9.389 -2.833 -1.458 1.00 63.13 C ATOM 982 CD GLU A 67 -10.866 -2.975 -1.149 1.00 54.22 C ATOM 983 OE1 GLU A 67 -11.361 -2.238 -0.270 1.00 73.24 O ATOM 984 OE2 GLU A 67 -11.528 -3.822 -1.785 1.00 44.22 O ATOM 0 H GLU A 67 -7.023 -5.116 -1.323 1.00 12.22 H new ATOM 0 HA GLU A 67 -7.018 -3.505 0.992 1.00 53.42 H new ATOM 0 HB2 GLU A 67 -9.213 -2.365 0.621 1.00 3.33 H new ATOM 0 HB3 GLU A 67 -7.917 -1.727 -0.371 1.00 3.33 H new ATOM 0 HG2 GLU A 67 -9.245 -2.003 -2.150 1.00 63.13 H new ATOM 0 HG3 GLU A 67 -9.039 -3.733 -1.963 1.00 63.13 H new ATOM 991 N VAL A 68 -8.359 -5.372 1.874 1.00 31.34 N ATOM 992 CA VAL A 68 -9.130 -6.476 2.435 1.00 44.20 C ATOM 993 C VAL A 68 -9.971 -6.013 3.619 1.00 52.21 C ATOM 994 O VAL A 68 -11.047 -6.551 3.876 1.00 74.34 O ATOM 995 CB VAL A 68 -8.213 -7.627 2.890 1.00 45.40 C ATOM 996 CG1 VAL A 68 -7.361 -7.195 4.074 1.00 44.52 C ATOM 997 CG2 VAL A 68 -9.036 -8.858 3.236 1.00 24.21 C ATOM 0 H VAL A 68 -7.681 -4.962 2.516 1.00 31.34 H new ATOM 0 HA VAL A 68 -9.788 -6.836 1.644 1.00 44.20 H new ATOM 0 HB VAL A 68 -7.545 -7.884 2.067 1.00 45.40 H new ATOM 0 HG11 VAL A 68 -6.720 -8.021 4.381 1.00 44.52 H new ATOM 0 HG12 VAL A 68 -6.744 -6.344 3.787 1.00 44.52 H new ATOM 0 HG13 VAL A 68 -8.008 -6.910 4.903 1.00 44.52 H new ATOM 0 HG21 VAL A 68 -8.372 -9.661 3.555 1.00 24.21 H new ATOM 0 HG22 VAL A 68 -9.729 -8.618 4.042 1.00 24.21 H new ATOM 0 HG23 VAL A 68 -9.598 -9.179 2.359 1.00 24.21 H new ATOM 1007 N GLU A 69 -9.473 -5.011 4.336 1.00 1.33 N ATOM 1008 CA GLU A 69 -10.180 -4.475 5.494 1.00 61.51 C ATOM 1009 C GLU A 69 -10.522 -5.586 6.483 1.00 11.45 C ATOM 1010 O GLU A 69 -11.686 -5.786 6.831 1.00 14.52 O ATOM 1011 CB GLU A 69 -11.458 -3.759 5.052 1.00 2.15 C ATOM 1012 CG GLU A 69 -11.856 -2.609 5.963 1.00 73.44 C ATOM 1013 CD GLU A 69 -10.948 -1.404 5.812 1.00 32.42 C ATOM 1014 OE1 GLU A 69 -10.138 -1.386 4.862 1.00 20.23 O ATOM 1015 OE2 GLU A 69 -11.048 -0.479 6.645 1.00 35.12 O ATOM 0 H GLU A 69 -8.583 -4.554 4.136 1.00 1.33 H new ATOM 0 HA GLU A 69 -9.524 -3.759 5.990 1.00 61.51 H new ATOM 0 HB2 GLU A 69 -11.320 -3.379 4.040 1.00 2.15 H new ATOM 0 HB3 GLU A 69 -12.274 -4.480 5.013 1.00 2.15 H new ATOM 0 HG2 GLU A 69 -12.883 -2.315 5.744 1.00 73.44 H new ATOM 0 HG3 GLU A 69 -11.835 -2.947 6.999 1.00 73.44 H new ATOM 1022 N HIS A 70 -9.499 -6.306 6.933 1.00 11.52 N ATOM 1023 CA HIS A 70 -9.691 -7.396 7.883 1.00 44.11 C ATOM 1024 C HIS A 70 -8.388 -7.719 8.609 1.00 72.01 C ATOM 1025 O HIS A 70 -7.403 -8.121 7.989 1.00 41.42 O ATOM 1026 CB HIS A 70 -10.210 -8.641 7.164 1.00 62.42 C ATOM 1027 CG HIS A 70 -10.532 -9.775 8.087 1.00 32.54 C ATOM 1028 ND1 HIS A 70 -11.790 -9.984 8.612 1.00 31.33 N ATOM 1029 CD2 HIS A 70 -9.752 -10.767 8.578 1.00 10.11 C ATOM 1030 CE1 HIS A 70 -11.769 -11.054 9.387 1.00 33.03 C ATOM 1031 NE2 HIS A 70 -10.544 -11.548 9.383 1.00 13.22 N ATOM 0 H HIS A 70 -8.529 -6.154 6.655 1.00 11.52 H new ATOM 0 HA HIS A 70 -10.428 -7.078 8.620 1.00 44.11 H new ATOM 0 HB2 HIS A 70 -11.104 -8.378 6.599 1.00 62.42 H new ATOM 0 HB3 HIS A 70 -9.463 -8.972 6.442 1.00 62.42 H new ATOM 0 HD2 HIS A 70 -8.702 -10.916 8.374 1.00 10.11 H new ATOM 0 HE1 HIS A 70 -12.611 -11.456 9.931 1.00 33.03 H new ATOM 0 HE2 HIS A 70 -10.236 -12.375 9.895 1.00 13.22 H new ATOM 1039 N HIS A 71 -8.390 -7.540 9.926 1.00 34.41 N ATOM 1040 CA HIS A 71 -7.209 -7.813 10.737 1.00 43.24 C ATOM 1041 C HIS A 71 -7.392 -9.089 11.552 1.00 21.13 C ATOM 1042 O HIS A 71 -6.534 -9.449 12.360 1.00 75.44 O ATOM 1043 CB HIS A 71 -6.921 -6.635 11.668 1.00 23.22 C ATOM 1044 CG HIS A 71 -5.492 -6.557 12.111 1.00 41.15 C ATOM 1045 ND1 HIS A 71 -5.088 -5.862 13.231 1.00 41.43 N ATOM 1046 CD2 HIS A 71 -4.369 -7.093 11.577 1.00 34.33 C ATOM 1047 CE1 HIS A 71 -3.778 -5.972 13.366 1.00 35.23 C ATOM 1048 NE2 HIS A 71 -3.318 -6.715 12.376 1.00 73.21 N ATOM 0 H HIS A 71 -9.196 -7.207 10.454 1.00 34.41 H new ATOM 0 HA HIS A 71 -6.361 -7.951 10.066 1.00 43.24 H new ATOM 0 HB2 HIS A 71 -7.186 -5.708 11.160 1.00 23.22 H new ATOM 0 HB3 HIS A 71 -7.562 -6.712 12.547 1.00 23.22 H new ATOM 0 HD2 HIS A 71 -4.311 -7.704 10.688 1.00 34.33 H new ATOM 0 HE1 HIS A 71 -3.185 -5.529 14.152 1.00 35.23 H new ATOM 0 HE2 HIS A 71 -2.341 -6.967 12.229 1.00 73.21 H new TER 1056 HIS A 71