USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 22 THR OG1 : rot 171:sc= 1.14 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.04 K(o=2.2,f=1.4) USER MOD Set 2.1: A 7 THR OG1 : rot -74:sc= 1.12 USER MOD Set 2.2: A 9 THR OG1 : rot 40:sc= 0.523 USER MOD Single : A 1 MET CE :methyl -156:sc= -0.0539 (180deg=-0.171) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.16 (180deg=0.929) USER MOD Single : A 2 GLN : amide:sc= -0.522 K(o=-0.52,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 152:sc= -0.146 (180deg=-0.595) 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 -51:sc= 0.0401 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0546 USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.22) USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 2.11 (180deg=2.08) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 33 LYS NZ :NH3+ -145:sc= 1.82 (180deg=1.01) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= 0.00228 K(o=0.0023,f=-1.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.317 K(o=-0.32,f=-1.3) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 90:sc= 0.671 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 88:sc= 1.19 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00468 X(o=-0.0047,f=-0.062) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.003 31.161 16.171 1.00 0.00 N ATOM 2 CA MET A 1 13.973 31.288 17.636 1.00 0.00 C ATOM 3 C MET A 1 15.367 31.669 18.128 1.00 0.00 C ATOM 4 O MET A 1 16.361 31.160 17.595 1.00 0.00 O ATOM 5 CB MET A 1 13.364 30.021 18.244 1.00 0.00 C ATOM 6 CG MET A 1 13.886 28.657 17.793 1.00 0.00 C ATOM 7 SD MET A 1 13.275 27.392 18.951 1.00 0.00 S ATOM 8 CE MET A 1 14.853 26.630 19.387 1.00 0.00 C ATOM 0 H1 MET A 1 13.149 30.664 15.848 1.00 0.00 H new ATOM 0 H2 MET A 1 14.036 32.107 15.741 1.00 0.00 H new ATOM 0 H3 MET A 1 14.846 30.622 15.886 1.00 0.00 H new ATOM 0 HA MET A 1 13.322 32.095 17.972 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.491 30.081 19.325 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.292 30.044 18.048 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.548 28.438 16.780 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.976 28.657 17.772 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.682 25.609 19.727 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.505 26.617 18.513 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.326 27.203 20.184 1.00 0.00 H new ATOM 20 N GLN A 2 15.446 32.564 19.100 1.00 0.00 N ATOM 21 CA GLN A 2 16.747 32.995 19.565 1.00 0.00 C ATOM 22 C GLN A 2 17.059 32.166 20.822 1.00 0.00 C ATOM 23 O GLN A 2 16.214 32.081 21.712 1.00 0.00 O ATOM 24 CB GLN A 2 16.616 34.387 20.192 1.00 0.00 C ATOM 25 CG GLN A 2 16.315 35.458 19.145 1.00 0.00 C ATOM 26 CD GLN A 2 16.361 36.898 19.647 1.00 0.00 C ATOM 27 OE1 GLN A 2 16.278 37.854 18.874 1.00 0.00 O ATOM 28 NE2 GLN A 2 16.347 37.107 20.959 1.00 0.00 N ATOM 0 H GLN A 2 14.648 32.993 19.568 1.00 0.00 H new ATOM 0 HA GLN A 2 17.458 32.930 18.741 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.822 34.376 20.938 1.00 0.00 H new ATOM 0 HB3 GLN A 2 17.540 34.639 20.713 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.029 35.353 18.328 1.00 0.00 H new ATOM 0 HG3 GLN A 2 15.325 35.268 18.730 1.00 0.00 H new ATOM 0 HE21 GLN A 2 16.415 36.318 21.602 1.00 0.00 H new ATOM 0 HE22 GLN A 2 16.268 38.056 21.323 1.00 0.00 H new ATOM 37 N ILE A 3 18.193 31.477 20.805 1.00 0.00 N ATOM 38 CA ILE A 3 18.823 30.779 21.908 1.00 0.00 C ATOM 39 C ILE A 3 20.194 31.345 22.260 1.00 0.00 C ATOM 40 O ILE A 3 20.899 31.940 21.449 1.00 0.00 O ATOM 41 CB ILE A 3 18.873 29.259 21.765 1.00 0.00 C ATOM 42 CG1 ILE A 3 19.213 28.842 20.327 1.00 0.00 C ATOM 43 CG2 ILE A 3 17.497 28.641 21.977 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.091 27.590 20.206 1.00 0.00 C ATOM 0 H ILE A 3 18.737 31.388 19.947 1.00 0.00 H new ATOM 0 HA ILE A 3 18.154 30.970 22.747 1.00 0.00 H new ATOM 0 HB ILE A 3 19.613 28.930 22.494 1.00 0.00 H new ATOM 0 HG12 ILE A 3 18.283 28.669 19.785 1.00 0.00 H new ATOM 0 HG13 ILE A 3 19.720 29.672 19.834 1.00 0.00 H new ATOM 0 HG21 ILE A 3 17.564 27.558 21.869 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.139 28.885 22.977 1.00 0.00 H new ATOM 0 HG23 ILE A 3 16.802 29.037 21.236 1.00 0.00 H new ATOM 0 HD11 ILE A 3 20.276 27.376 19.153 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.040 27.761 20.714 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.581 26.743 20.664 1.00 0.00 H new ATOM 56 N PHE A 4 20.812 31.160 23.428 1.00 0.00 N ATOM 57 CA PHE A 4 22.078 31.744 23.834 1.00 0.00 C ATOM 58 C PHE A 4 23.210 30.735 24.013 1.00 0.00 C ATOM 59 O PHE A 4 22.996 29.830 24.810 1.00 0.00 O ATOM 60 CB PHE A 4 21.778 32.488 25.138 1.00 0.00 C ATOM 61 CG PHE A 4 20.742 33.560 24.890 1.00 0.00 C ATOM 62 CD1 PHE A 4 21.122 34.727 24.207 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.493 33.488 25.511 1.00 0.00 C ATOM 64 CE1 PHE A 4 20.162 35.735 23.996 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.568 34.537 25.410 1.00 0.00 C ATOM 66 CZ PHE A 4 18.901 35.613 24.579 1.00 0.00 C ATOM 0 H PHE A 4 20.414 30.563 24.153 1.00 0.00 H new ATOM 0 HA PHE A 4 22.450 32.402 23.048 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.417 31.788 25.892 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.691 32.936 25.530 1.00 0.00 H new ATOM 0 HD1 PHE A 4 22.134 34.849 23.850 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.235 32.607 26.080 1.00 0.00 H new ATOM 0 HE1 PHE A 4 20.400 36.595 23.388 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.634 34.516 25.953 1.00 0.00 H new ATOM 0 HZ PHE A 4 18.158 36.372 24.383 1.00 0.00 H new ATOM 76 N VAL A 5 24.433 30.979 23.552 1.00 0.00 N ATOM 77 CA VAL A 5 25.673 30.299 23.890 1.00 0.00 C ATOM 78 C VAL A 5 26.588 31.226 24.685 1.00 0.00 C ATOM 79 O VAL A 5 26.896 32.366 24.331 1.00 0.00 O ATOM 80 CB VAL A 5 26.287 29.800 22.578 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.728 29.285 22.665 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.437 28.752 21.871 1.00 0.00 C ATOM 0 H VAL A 5 24.592 31.723 22.873 1.00 0.00 H new ATOM 0 HA VAL A 5 25.504 29.441 24.540 1.00 0.00 H new ATOM 0 HB VAL A 5 26.311 30.717 21.989 1.00 0.00 H new ATOM 0 HG11 VAL A 5 28.058 28.959 21.679 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.379 30.084 23.019 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.773 28.446 23.359 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.931 28.444 20.950 1.00 0.00 H new ATOM 0 HG22 VAL A 5 25.310 27.887 22.522 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.460 29.175 21.635 1.00 0.00 H new ATOM 92 N LYS A 6 26.906 30.728 25.875 1.00 0.00 N ATOM 93 CA LYS A 6 27.620 31.375 26.966 1.00 0.00 C ATOM 94 C LYS A 6 29.019 30.786 26.805 1.00 0.00 C ATOM 95 O LYS A 6 29.141 29.573 26.860 1.00 0.00 O ATOM 96 CB LYS A 6 26.944 31.039 28.297 1.00 0.00 C ATOM 97 CG LYS A 6 27.505 32.011 29.335 1.00 0.00 C ATOM 98 CD LYS A 6 27.079 31.548 30.723 1.00 0.00 C ATOM 99 CE LYS A 6 27.151 32.748 31.659 1.00 0.00 C ATOM 100 NZ LYS A 6 26.189 33.823 31.354 1.00 0.00 N ATOM 0 H LYS A 6 26.646 29.773 26.121 1.00 0.00 H new ATOM 0 HA LYS A 6 27.636 32.465 26.951 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.862 31.141 28.217 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.147 30.007 28.584 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.592 32.049 29.267 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.138 33.020 29.145 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.067 31.145 30.697 1.00 0.00 H new ATOM 0 HD3 LYS A 6 27.731 30.749 31.076 1.00 0.00 H new ATOM 0 HE2 LYS A 6 26.982 32.406 32.680 1.00 0.00 H new ATOM 0 HE3 LYS A 6 28.160 33.160 31.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 25.957 34.339 32.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 26.609 34.479 30.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 25.322 33.410 30.955 1.00 0.00 H new ATOM 114 N THR A 7 30.053 31.581 26.520 1.00 0.00 N ATOM 115 CA THR A 7 31.455 31.235 26.477 1.00 0.00 C ATOM 116 C THR A 7 32.041 31.032 27.885 1.00 0.00 C ATOM 117 O THR A 7 31.506 31.600 28.826 1.00 0.00 O ATOM 118 CB THR A 7 32.149 32.316 25.651 1.00 0.00 C ATOM 119 OG1 THR A 7 32.022 33.552 26.306 1.00 0.00 O ATOM 120 CG2 THR A 7 31.498 32.347 24.269 1.00 0.00 C ATOM 0 H THR A 7 29.906 32.565 26.296 1.00 0.00 H new ATOM 0 HA THR A 7 31.615 30.269 25.998 1.00 0.00 H new ATOM 0 HB THR A 7 33.212 32.105 25.538 1.00 0.00 H new ATOM 0 HG1 THR A 7 31.103 33.879 26.212 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.977 33.113 23.658 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.615 31.375 23.790 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.437 32.576 24.372 1.00 0.00 H new ATOM 128 N LEU A 8 33.121 30.254 27.979 1.00 0.00 N ATOM 129 CA LEU A 8 33.882 30.137 29.210 1.00 0.00 C ATOM 130 C LEU A 8 34.458 31.446 29.742 1.00 0.00 C ATOM 131 O LEU A 8 34.631 31.705 30.929 1.00 0.00 O ATOM 132 CB LEU A 8 35.009 29.177 28.865 1.00 0.00 C ATOM 133 CG LEU A 8 35.939 28.731 29.989 1.00 0.00 C ATOM 134 CD1 LEU A 8 36.334 27.262 29.788 1.00 0.00 C ATOM 135 CD2 LEU A 8 37.133 29.627 30.327 1.00 0.00 C ATOM 0 H LEU A 8 33.485 29.695 27.208 1.00 0.00 H new ATOM 0 HA LEU A 8 33.226 29.798 30.011 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.564 28.284 28.425 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.620 29.643 28.091 1.00 0.00 H new ATOM 0 HG LEU A 8 35.341 28.842 30.893 1.00 0.00 H new ATOM 0 HD11 LEU A 8 36.998 26.950 30.594 1.00 0.00 H new ATOM 0 HD12 LEU A 8 35.439 26.640 29.794 1.00 0.00 H new ATOM 0 HD13 LEU A 8 36.846 27.150 28.832 1.00 0.00 H new ATOM 0 HD21 LEU A 8 37.702 29.182 31.144 1.00 0.00 H new ATOM 0 HD22 LEU A 8 37.773 29.726 29.450 1.00 0.00 H new ATOM 0 HD23 LEU A 8 36.775 30.612 30.628 1.00 0.00 H new ATOM 147 N THR A 9 34.778 32.361 28.828 1.00 0.00 N ATOM 148 CA THR A 9 35.287 33.698 29.045 1.00 0.00 C ATOM 149 C THR A 9 34.218 34.667 29.522 1.00 0.00 C ATOM 150 O THR A 9 34.526 35.819 29.839 1.00 0.00 O ATOM 151 CB THR A 9 35.808 34.080 27.655 1.00 0.00 C ATOM 152 OG1 THR A 9 34.912 33.658 26.646 1.00 0.00 O ATOM 153 CG2 THR A 9 37.126 33.375 27.346 1.00 0.00 C ATOM 0 H THR A 9 34.676 32.160 27.833 1.00 0.00 H new ATOM 0 HA THR A 9 36.043 33.737 29.830 1.00 0.00 H new ATOM 0 HB THR A 9 35.926 35.164 27.665 1.00 0.00 H new ATOM 0 HG1 THR A 9 33.990 33.814 26.941 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.470 33.666 26.354 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.873 33.659 28.087 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.977 32.296 27.376 1.00 0.00 H new ATOM 161 N GLY A 10 32.953 34.294 29.727 1.00 0.00 N ATOM 162 CA GLY A 10 31.855 34.956 30.409 1.00 0.00 C ATOM 163 C GLY A 10 30.673 35.455 29.582 1.00 0.00 C ATOM 164 O GLY A 10 29.596 35.760 30.082 1.00 0.00 O ATOM 0 H GLY A 10 32.640 33.393 29.364 1.00 0.00 H new ATOM 0 HA2 GLY A 10 31.467 34.266 31.158 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.267 35.810 30.946 1.00 0.00 H new ATOM 168 N LYS A 11 30.890 35.590 28.282 1.00 0.00 N ATOM 169 CA LYS A 11 30.133 36.390 27.328 1.00 0.00 C ATOM 170 C LYS A 11 29.075 35.522 26.644 1.00 0.00 C ATOM 171 O LYS A 11 29.349 34.349 26.433 1.00 0.00 O ATOM 172 CB LYS A 11 31.035 36.822 26.173 1.00 0.00 C ATOM 173 CG LYS A 11 32.022 37.959 26.490 1.00 0.00 C ATOM 174 CD LYS A 11 32.926 38.414 25.344 1.00 0.00 C ATOM 175 CE LYS A 11 33.965 37.346 25.000 1.00 0.00 C ATOM 176 NZ LYS A 11 35.060 37.760 24.104 1.00 0.00 N ATOM 0 H LYS A 11 31.664 35.103 27.829 1.00 0.00 H new ATOM 0 HA LYS A 11 29.712 37.230 27.880 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.603 35.955 25.836 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.405 37.134 25.340 1.00 0.00 H new ATOM 0 HG2 LYS A 11 31.451 38.820 26.837 1.00 0.00 H new ATOM 0 HG3 LYS A 11 32.655 37.641 27.319 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.320 38.632 24.464 1.00 0.00 H new ATOM 0 HD3 LYS A 11 33.430 39.340 25.621 1.00 0.00 H new ATOM 0 HE2 LYS A 11 34.403 36.984 25.930 1.00 0.00 H new ATOM 0 HE3 LYS A 11 33.449 36.503 24.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 35.700 36.956 23.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 34.665 38.075 23.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 35.589 38.541 24.541 1.00 0.00 H new ATOM 190 N THR A 12 28.002 36.138 26.156 1.00 0.00 N ATOM 191 CA THR A 12 26.867 35.472 25.549 1.00 0.00 C ATOM 192 C THR A 12 26.763 35.817 24.065 1.00 0.00 C ATOM 193 O THR A 12 26.851 36.953 23.602 1.00 0.00 O ATOM 194 CB THR A 12 25.612 36.071 26.177 1.00 0.00 C ATOM 195 OG1 THR A 12 25.587 35.961 27.585 1.00 0.00 O ATOM 196 CG2 THR A 12 24.313 35.377 25.745 1.00 0.00 C ATOM 0 H THR A 12 27.901 37.153 26.176 1.00 0.00 H new ATOM 0 HA THR A 12 26.974 34.396 25.690 1.00 0.00 H new ATOM 0 HB THR A 12 25.659 37.105 25.836 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.762 36.363 27.930 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.464 35.858 26.232 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.202 35.454 24.663 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.349 34.326 26.033 1.00 0.00 H new ATOM 204 N ILE A 13 26.576 34.834 23.183 1.00 0.00 N ATOM 205 CA ILE A 13 26.421 34.971 21.747 1.00 0.00 C ATOM 206 C ILE A 13 25.048 34.383 21.396 1.00 0.00 C ATOM 207 O ILE A 13 24.666 33.294 21.814 1.00 0.00 O ATOM 208 CB ILE A 13 27.625 34.248 21.153 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.958 34.917 21.478 1.00 0.00 C ATOM 210 CG2 ILE A 13 27.381 34.028 19.660 1.00 0.00 C ATOM 211 CD1 ILE A 13 30.164 34.030 21.152 1.00 0.00 C ATOM 0 H ILE A 13 26.527 33.859 23.480 1.00 0.00 H new ATOM 0 HA ILE A 13 26.419 35.986 21.351 1.00 0.00 H new ATOM 0 HB ILE A 13 27.721 33.272 21.628 1.00 0.00 H new ATOM 0 HG12 ILE A 13 29.037 35.849 20.919 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.980 35.177 22.536 1.00 0.00 H new ATOM 0 HG21 ILE A 13 28.236 33.511 19.224 1.00 0.00 H new ATOM 0 HG22 ILE A 13 26.484 33.424 19.523 1.00 0.00 H new ATOM 0 HG23 ILE A 13 27.249 34.991 19.167 1.00 0.00 H new ATOM 0 HD11 ILE A 13 31.083 34.559 21.404 1.00 0.00 H new ATOM 0 HD12 ILE A 13 30.105 33.108 21.731 1.00 0.00 H new ATOM 0 HD13 ILE A 13 30.163 33.791 20.089 1.00 0.00 H new ATOM 223 N THR A 14 24.227 35.165 20.701 1.00 0.00 N ATOM 224 CA THR A 14 22.833 34.883 20.425 1.00 0.00 C ATOM 225 C THR A 14 22.802 34.112 19.109 1.00 0.00 C ATOM 226 O THR A 14 23.512 34.530 18.186 1.00 0.00 O ATOM 227 CB THR A 14 22.131 36.226 20.278 1.00 0.00 C ATOM 228 OG1 THR A 14 22.205 37.005 21.456 1.00 0.00 O ATOM 229 CG2 THR A 14 20.640 36.035 19.973 1.00 0.00 C ATOM 0 H THR A 14 24.535 36.051 20.300 1.00 0.00 H new ATOM 0 HA THR A 14 22.344 34.302 21.207 1.00 0.00 H new ATOM 0 HB THR A 14 22.643 36.735 19.462 1.00 0.00 H new ATOM 0 HG1 THR A 14 21.915 36.468 22.222 1.00 0.00 H new ATOM 0 HG21 THR A 14 20.161 37.009 19.873 1.00 0.00 H new ATOM 0 HG22 THR A 14 20.527 35.478 19.043 1.00 0.00 H new ATOM 0 HG23 THR A 14 20.170 35.482 20.786 1.00 0.00 H new ATOM 237 N LEU A 15 22.129 32.972 19.086 1.00 0.00 N ATOM 238 CA LEU A 15 21.997 32.088 17.941 1.00 0.00 C ATOM 239 C LEU A 15 20.534 32.145 17.505 1.00 0.00 C ATOM 240 O LEU A 15 19.707 31.761 18.320 1.00 0.00 O ATOM 241 CB LEU A 15 22.283 30.665 18.425 1.00 0.00 C ATOM 242 CG LEU A 15 23.731 30.161 18.482 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.100 29.725 17.066 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.741 31.163 19.047 1.00 0.00 C ATOM 0 H LEU A 15 21.636 32.622 19.907 1.00 0.00 H new ATOM 0 HA LEU A 15 22.670 32.369 17.131 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.865 30.571 19.427 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.725 29.984 17.782 1.00 0.00 H new ATOM 0 HG LEU A 15 23.781 29.333 19.189 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.126 29.357 17.054 1.00 0.00 H new ATOM 0 HD12 LEU A 15 23.426 28.932 16.742 1.00 0.00 H new ATOM 0 HD13 LEU A 15 24.012 30.575 16.389 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.735 30.716 19.047 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.747 32.061 18.430 1.00 0.00 H new ATOM 0 HD23 LEU A 15 24.461 31.426 20.067 1.00 0.00 H new ATOM 256 N GLU A 16 20.183 32.478 16.261 1.00 0.00 N ATOM 257 CA GLU A 16 18.879 32.550 15.640 1.00 0.00 C ATOM 258 C GLU A 16 18.638 31.341 14.727 1.00 0.00 C ATOM 259 O GLU A 16 19.209 31.227 13.645 1.00 0.00 O ATOM 260 CB GLU A 16 18.803 33.859 14.841 1.00 0.00 C ATOM 261 CG GLU A 16 18.931 35.147 15.654 1.00 0.00 C ATOM 262 CD GLU A 16 20.288 35.833 15.619 1.00 0.00 C ATOM 263 OE1 GLU A 16 21.268 35.336 15.014 1.00 0.00 O ATOM 264 OE2 GLU A 16 20.395 36.870 16.314 1.00 0.00 O ATOM 0 H GLU A 16 20.907 32.734 15.589 1.00 0.00 H new ATOM 0 HA GLU A 16 18.103 32.534 16.406 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.591 33.848 14.088 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.852 33.882 14.308 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.181 35.853 15.297 1.00 0.00 H new ATOM 0 HG3 GLU A 16 18.688 34.922 16.692 1.00 0.00 H new ATOM 271 N VAL A 17 17.862 30.414 15.271 1.00 0.00 N ATOM 272 CA VAL A 17 17.935 29.052 14.790 1.00 0.00 C ATOM 273 C VAL A 17 16.444 28.734 14.672 1.00 0.00 C ATOM 274 O VAL A 17 15.597 29.327 15.338 1.00 0.00 O ATOM 275 CB VAL A 17 18.725 28.135 15.731 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.197 28.533 15.865 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.108 28.039 17.122 1.00 0.00 C ATOM 0 H VAL A 17 17.194 30.577 16.024 1.00 0.00 H new ATOM 0 HA VAL A 17 18.482 28.907 13.858 1.00 0.00 H new ATOM 0 HB VAL A 17 18.674 27.156 15.255 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.700 27.845 16.544 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.676 28.491 14.887 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.265 29.547 16.260 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.711 27.376 17.743 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.075 29.030 17.575 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.096 27.642 17.044 1.00 0.00 H new ATOM 287 N GLU A 18 16.136 27.633 13.981 1.00 0.00 N ATOM 288 CA GLU A 18 14.893 26.897 14.084 1.00 0.00 C ATOM 289 C GLU A 18 15.225 25.593 14.814 1.00 0.00 C ATOM 290 O GLU A 18 16.412 25.301 14.860 1.00 0.00 O ATOM 291 CB GLU A 18 14.586 26.760 12.585 1.00 0.00 C ATOM 292 CG GLU A 18 13.981 27.939 11.829 1.00 0.00 C ATOM 293 CD GLU A 18 12.526 28.269 12.101 1.00 0.00 C ATOM 294 OE1 GLU A 18 11.734 27.297 12.216 1.00 0.00 O ATOM 295 OE2 GLU A 18 12.072 29.408 12.326 1.00 0.00 O ATOM 0 H GLU A 18 16.781 27.220 13.307 1.00 0.00 H new ATOM 0 HA GLU A 18 14.049 27.314 14.634 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.517 26.495 12.084 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.908 25.914 12.467 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.575 28.825 12.055 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.089 27.746 10.762 1.00 0.00 H new ATOM 302 N PRO A 19 14.295 24.765 15.296 1.00 0.00 N ATOM 303 CA PRO A 19 14.646 23.528 15.964 1.00 0.00 C ATOM 304 C PRO A 19 15.094 22.484 14.942 1.00 0.00 C ATOM 305 O PRO A 19 15.542 21.405 15.345 1.00 0.00 O ATOM 306 CB PRO A 19 13.308 23.179 16.625 1.00 0.00 C ATOM 307 CG PRO A 19 12.140 23.942 15.996 1.00 0.00 C ATOM 308 CD PRO A 19 12.867 24.993 15.164 1.00 0.00 C ATOM 0 HA PRO A 19 15.475 23.586 16.669 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.130 22.107 16.538 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.359 23.408 17.689 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.513 23.296 15.382 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.493 24.392 16.749 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.566 24.926 14.119 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.608 25.995 15.506 1.00 0.00 H new ATOM 316 N SER A 20 15.020 22.681 13.637 1.00 0.00 N ATOM 317 CA SER A 20 15.423 21.849 12.522 1.00 0.00 C ATOM 318 C SER A 20 16.814 22.193 11.964 1.00 0.00 C ATOM 319 O SER A 20 17.101 21.726 10.867 1.00 0.00 O ATOM 320 CB SER A 20 14.338 22.049 11.464 1.00 0.00 C ATOM 321 OG SER A 20 14.213 23.402 11.111 1.00 0.00 O ATOM 0 H SER A 20 14.619 23.552 13.291 1.00 0.00 H new ATOM 0 HA SER A 20 15.516 20.811 12.841 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.578 21.461 10.578 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.385 21.680 11.843 1.00 0.00 H new ATOM 0 HG SER A 20 13.513 23.500 10.432 1.00 0.00 H new ATOM 327 N ASP A 21 17.558 22.980 12.719 1.00 0.00 N ATOM 328 CA ASP A 21 18.935 23.445 12.624 1.00 0.00 C ATOM 329 C ASP A 21 19.735 22.222 13.080 1.00 0.00 C ATOM 330 O ASP A 21 19.499 21.725 14.177 1.00 0.00 O ATOM 331 CB ASP A 21 19.206 24.661 13.498 1.00 0.00 C ATOM 332 CG ASP A 21 19.079 25.988 12.756 1.00 0.00 C ATOM 333 OD1 ASP A 21 18.032 26.174 12.090 1.00 0.00 O ATOM 334 OD2 ASP A 21 19.933 26.858 13.010 1.00 0.00 O ATOM 0 H ASP A 21 17.134 23.375 13.558 1.00 0.00 H new ATOM 0 HA ASP A 21 19.197 23.786 11.622 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.511 24.656 14.338 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.210 24.582 13.914 1.00 0.00 H new ATOM 339 N THR A 22 20.812 21.903 12.360 1.00 0.00 N ATOM 340 CA THR A 22 21.826 20.963 12.791 1.00 0.00 C ATOM 341 C THR A 22 22.758 21.602 13.822 1.00 0.00 C ATOM 342 O THR A 22 22.757 22.821 13.982 1.00 0.00 O ATOM 343 CB THR A 22 22.485 20.545 11.477 1.00 0.00 C ATOM 344 OG1 THR A 22 23.002 21.608 10.725 1.00 0.00 O ATOM 345 CG2 THR A 22 21.478 19.842 10.566 1.00 0.00 C ATOM 0 H THR A 22 21.000 22.305 11.441 1.00 0.00 H new ATOM 0 HA THR A 22 21.451 20.089 13.324 1.00 0.00 H new ATOM 0 HB THR A 22 23.303 19.895 11.787 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.530 21.255 9.979 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.968 19.553 9.636 1.00 0.00 H new ATOM 0 HG22 THR A 22 21.094 18.952 11.066 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.652 20.519 10.346 1.00 0.00 H new ATOM 353 N ILE A 23 23.655 20.822 14.430 1.00 0.00 N ATOM 354 CA ILE A 23 24.811 21.280 15.168 1.00 0.00 C ATOM 355 C ILE A 23 25.700 22.106 14.234 1.00 0.00 C ATOM 356 O ILE A 23 26.201 23.135 14.675 1.00 0.00 O ATOM 357 CB ILE A 23 25.489 20.186 16.003 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.928 20.166 17.423 1.00 0.00 C ATOM 359 CG2 ILE A 23 27.003 20.386 16.138 1.00 0.00 C ATOM 360 CD1 ILE A 23 23.495 19.649 17.527 1.00 0.00 C ATOM 0 H ILE A 23 23.582 19.805 14.414 1.00 0.00 H new ATOM 0 HA ILE A 23 24.503 21.958 15.964 1.00 0.00 H new ATOM 0 HB ILE A 23 25.289 19.255 15.472 1.00 0.00 H new ATOM 0 HG12 ILE A 23 25.572 19.545 18.046 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.968 21.176 17.831 1.00 0.00 H new ATOM 0 HG21 ILE A 23 27.424 19.580 16.739 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.461 20.378 15.149 1.00 0.00 H new ATOM 0 HG23 ILE A 23 27.202 21.342 16.622 1.00 0.00 H new ATOM 0 HD11 ILE A 23 23.176 19.669 18.569 1.00 0.00 H new ATOM 0 HD12 ILE A 23 22.836 20.282 16.934 1.00 0.00 H new ATOM 0 HD13 ILE A 23 23.449 18.626 17.153 1.00 0.00 H new ATOM 372 N GLU A 24 25.866 21.628 13.002 1.00 0.00 N ATOM 373 CA GLU A 24 26.777 22.170 12.012 1.00 0.00 C ATOM 374 C GLU A 24 26.313 23.576 11.622 1.00 0.00 C ATOM 375 O GLU A 24 27.132 24.499 11.581 1.00 0.00 O ATOM 376 CB GLU A 24 26.703 21.190 10.844 1.00 0.00 C ATOM 377 CG GLU A 24 27.771 21.400 9.767 1.00 0.00 C ATOM 378 CD GLU A 24 27.650 20.403 8.619 1.00 0.00 C ATOM 379 OE1 GLU A 24 26.536 19.885 8.356 1.00 0.00 O ATOM 380 OE2 GLU A 24 28.664 20.046 7.999 1.00 0.00 O ATOM 0 H GLU A 24 25.346 20.820 12.659 1.00 0.00 H new ATOM 0 HA GLU A 24 27.803 22.272 12.365 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.792 20.175 11.232 1.00 0.00 H new ATOM 0 HB3 GLU A 24 25.719 21.270 10.382 1.00 0.00 H new ATOM 0 HG2 GLU A 24 27.691 22.413 9.373 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.759 21.311 10.218 1.00 0.00 H new ATOM 387 N ASN A 25 25.004 23.742 11.497 1.00 0.00 N ATOM 388 CA ASN A 25 24.349 24.996 11.187 1.00 0.00 C ATOM 389 C ASN A 25 24.614 25.952 12.354 1.00 0.00 C ATOM 390 O ASN A 25 24.764 27.161 12.160 1.00 0.00 O ATOM 391 CB ASN A 25 22.830 24.839 11.079 1.00 0.00 C ATOM 392 CG ASN A 25 22.349 24.705 9.642 1.00 0.00 C ATOM 393 OD1 ASN A 25 22.054 25.732 9.038 1.00 0.00 O ATOM 394 ND2 ASN A 25 22.377 23.531 9.020 1.00 0.00 N ATOM 0 H ASN A 25 24.346 22.972 11.615 1.00 0.00 H new ATOM 0 HA ASN A 25 24.735 25.358 10.234 1.00 0.00 H new ATOM 0 HB2 ASN A 25 22.520 23.960 11.644 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.347 25.701 11.540 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.151 23.475 8.027 1.00 0.00 H new ATOM 0 HD22 ASN A 25 22.624 22.686 9.536 1.00 0.00 H new ATOM 401 N VAL A 26 24.572 25.527 13.615 1.00 0.00 N ATOM 402 CA VAL A 26 24.891 26.250 14.836 1.00 0.00 C ATOM 403 C VAL A 26 26.352 26.608 15.092 1.00 0.00 C ATOM 404 O VAL A 26 26.672 27.762 15.369 1.00 0.00 O ATOM 405 CB VAL A 26 24.461 25.408 16.032 1.00 0.00 C ATOM 406 CG1 VAL A 26 25.051 25.739 17.404 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.942 25.497 16.082 1.00 0.00 C ATOM 0 H VAL A 26 24.284 24.571 13.823 1.00 0.00 H new ATOM 0 HA VAL A 26 24.362 27.194 14.705 1.00 0.00 H new ATOM 0 HB VAL A 26 24.860 24.409 15.857 1.00 0.00 H new ATOM 0 HG11 VAL A 26 24.648 25.053 18.149 1.00 0.00 H new ATOM 0 HG12 VAL A 26 26.136 25.638 17.367 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.790 26.762 17.675 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.571 24.911 16.923 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.642 26.538 16.205 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.524 25.106 15.154 1.00 0.00 H new ATOM 417 N LYS A 27 27.309 25.727 14.795 1.00 0.00 N ATOM 418 CA LYS A 27 28.735 26.000 14.763 1.00 0.00 C ATOM 419 C LYS A 27 29.173 26.957 13.652 1.00 0.00 C ATOM 420 O LYS A 27 30.134 27.684 13.888 1.00 0.00 O ATOM 421 CB LYS A 27 29.528 24.693 14.611 1.00 0.00 C ATOM 422 CG LYS A 27 29.553 23.721 15.792 1.00 0.00 C ATOM 423 CD LYS A 27 30.178 22.397 15.363 1.00 0.00 C ATOM 424 CE LYS A 27 30.506 21.552 16.602 1.00 0.00 C ATOM 425 NZ LYS A 27 31.040 20.239 16.208 1.00 0.00 N ATOM 0 H LYS A 27 27.093 24.758 14.560 1.00 0.00 H new ATOM 0 HA LYS A 27 28.948 26.489 15.713 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.128 24.159 13.749 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.559 24.955 14.373 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.122 24.151 16.616 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.540 23.553 16.157 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.492 21.854 14.712 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.085 22.582 14.787 1.00 0.00 H new ATOM 0 HE2 LYS A 27 31.233 22.075 17.223 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.608 21.419 17.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.272 19.689 17.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.327 19.728 15.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.899 20.371 15.637 1.00 0.00 H new ATOM 439 N ALA A 28 28.486 27.011 12.508 1.00 0.00 N ATOM 440 CA ALA A 28 28.713 28.013 11.486 1.00 0.00 C ATOM 441 C ALA A 28 28.241 29.421 11.837 1.00 0.00 C ATOM 442 O ALA A 28 28.943 30.409 11.668 1.00 0.00 O ATOM 443 CB ALA A 28 27.993 27.680 10.179 1.00 0.00 C ATOM 0 H ALA A 28 27.749 26.347 12.271 1.00 0.00 H new ATOM 0 HA ALA A 28 29.799 27.997 11.393 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.193 28.460 9.444 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.352 26.723 9.800 1.00 0.00 H new ATOM 0 HB3 ALA A 28 26.920 27.619 10.360 1.00 0.00 H new ATOM 449 N LYS A 29 27.017 29.458 12.364 1.00 0.00 N ATOM 450 CA LYS A 29 26.450 30.682 12.890 1.00 0.00 C ATOM 451 C LYS A 29 27.303 31.267 14.021 1.00 0.00 C ATOM 452 O LYS A 29 27.323 32.490 14.131 1.00 0.00 O ATOM 453 CB LYS A 29 25.066 30.295 13.401 1.00 0.00 C ATOM 454 CG LYS A 29 24.025 30.123 12.293 1.00 0.00 C ATOM 455 CD LYS A 29 22.652 29.732 12.844 1.00 0.00 C ATOM 456 CE LYS A 29 21.664 29.566 11.678 1.00 0.00 C ATOM 457 NZ LYS A 29 20.286 29.227 12.066 1.00 0.00 N ATOM 0 H LYS A 29 26.403 28.646 12.434 1.00 0.00 H new ATOM 0 HA LYS A 29 26.406 31.456 12.124 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.143 29.364 13.962 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.719 31.059 14.097 1.00 0.00 H new ATOM 0 HG2 LYS A 29 23.938 31.053 11.732 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.365 29.359 11.593 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.725 28.802 13.408 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.293 30.496 13.534 1.00 0.00 H new ATOM 0 HE2 LYS A 29 21.645 30.493 11.105 1.00 0.00 H new ATOM 0 HE3 LYS A 29 22.039 28.788 11.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.673 29.253 11.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.267 28.273 12.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 19.943 29.915 12.766 1.00 0.00 H new ATOM 471 N ILE A 30 28.001 30.491 14.850 1.00 0.00 N ATOM 472 CA ILE A 30 28.983 31.003 15.779 1.00 0.00 C ATOM 473 C ILE A 30 30.152 31.613 14.998 1.00 0.00 C ATOM 474 O ILE A 30 30.470 32.767 15.295 1.00 0.00 O ATOM 475 CB ILE A 30 29.399 29.965 16.830 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.262 29.800 17.842 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.665 30.359 17.587 1.00 0.00 C ATOM 478 CD1 ILE A 30 28.199 28.515 18.674 1.00 0.00 C ATOM 0 H ILE A 30 27.892 29.478 14.888 1.00 0.00 H new ATOM 0 HA ILE A 30 28.535 31.802 16.370 1.00 0.00 H new ATOM 0 HB ILE A 30 29.606 29.036 16.299 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.311 30.640 18.535 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.321 29.889 17.299 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.909 29.586 18.316 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.491 30.468 16.884 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.501 31.305 18.103 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.337 28.555 19.341 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.104 27.656 18.010 1.00 0.00 H new ATOM 0 HD13 ILE A 30 29.110 28.419 19.264 1.00 0.00 H new ATOM 490 N GLN A 31 30.671 30.918 14.002 1.00 0.00 N ATOM 491 CA GLN A 31 31.908 31.227 13.308 1.00 0.00 C ATOM 492 C GLN A 31 31.645 32.416 12.386 1.00 0.00 C ATOM 493 O GLN A 31 32.543 33.247 12.274 1.00 0.00 O ATOM 494 CB GLN A 31 32.255 30.076 12.358 1.00 0.00 C ATOM 495 CG GLN A 31 33.279 30.181 11.234 1.00 0.00 C ATOM 496 CD GLN A 31 33.433 29.069 10.203 1.00 0.00 C ATOM 497 OE1 GLN A 31 32.498 28.336 9.879 1.00 0.00 O ATOM 498 NE2 GLN A 31 34.661 28.845 9.736 1.00 0.00 N ATOM 0 H GLN A 31 30.218 30.080 13.637 1.00 0.00 H new ATOM 0 HA GLN A 31 32.693 31.410 14.042 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.578 29.247 12.988 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.318 29.774 11.890 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.057 31.096 10.685 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.254 30.319 11.702 1.00 0.00 H new ATOM 0 HE21 GLN A 31 35.430 29.457 10.009 1.00 0.00 H new ATOM 0 HE22 GLN A 31 34.832 28.062 9.105 1.00 0.00 H new ATOM 507 N ASP A 32 30.518 32.560 11.700 1.00 0.00 N ATOM 508 CA ASP A 32 30.154 33.673 10.847 1.00 0.00 C ATOM 509 C ASP A 32 30.021 34.941 11.701 1.00 0.00 C ATOM 510 O ASP A 32 30.421 36.013 11.254 1.00 0.00 O ATOM 511 CB ASP A 32 28.813 33.302 10.207 1.00 0.00 C ATOM 512 CG ASP A 32 28.336 34.329 9.174 1.00 0.00 C ATOM 513 OD1 ASP A 32 28.915 34.366 8.064 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.421 35.129 9.446 1.00 0.00 O ATOM 0 H ASP A 32 29.787 31.850 11.731 1.00 0.00 H new ATOM 0 HA ASP A 32 30.904 33.867 10.080 1.00 0.00 H new ATOM 0 HB2 ASP A 32 28.903 32.328 9.727 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.059 33.204 10.988 1.00 0.00 H new ATOM 519 N LYS A 33 29.612 34.753 12.956 1.00 0.00 N ATOM 520 CA LYS A 33 29.508 35.885 13.847 1.00 0.00 C ATOM 521 C LYS A 33 30.870 36.084 14.517 1.00 0.00 C ATOM 522 O LYS A 33 31.458 37.129 14.220 1.00 0.00 O ATOM 523 CB LYS A 33 28.412 35.607 14.876 1.00 0.00 C ATOM 524 CG LYS A 33 27.005 35.892 14.341 1.00 0.00 C ATOM 525 CD LYS A 33 25.939 35.617 15.401 1.00 0.00 C ATOM 526 CE LYS A 33 24.512 35.865 14.906 1.00 0.00 C ATOM 527 NZ LYS A 33 23.582 35.850 16.050 1.00 0.00 N ATOM 0 H LYS A 33 29.356 33.852 13.360 1.00 0.00 H new ATOM 0 HA LYS A 33 29.241 36.795 13.309 1.00 0.00 H new ATOM 0 HB2 LYS A 33 28.472 34.565 15.190 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.589 36.217 15.762 1.00 0.00 H new ATOM 0 HG2 LYS A 33 26.940 36.931 14.019 1.00 0.00 H new ATOM 0 HG3 LYS A 33 26.816 35.274 13.463 1.00 0.00 H new ATOM 0 HD2 LYS A 33 26.026 34.583 15.733 1.00 0.00 H new ATOM 0 HD3 LYS A 33 26.129 36.248 16.269 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.456 36.824 14.392 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.229 35.099 14.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.676 35.434 15.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.989 35.283 16.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.424 36.823 16.382 1.00 0.00 H new ATOM 541 N GLU A 34 31.338 35.180 15.364 1.00 0.00 N ATOM 542 CA GLU A 34 32.321 35.454 16.394 1.00 0.00 C ATOM 543 C GLU A 34 33.723 35.079 15.912 1.00 0.00 C ATOM 544 O GLU A 34 34.725 35.501 16.485 1.00 0.00 O ATOM 545 CB GLU A 34 31.983 34.594 17.605 1.00 0.00 C ATOM 546 CG GLU A 34 32.854 34.553 18.867 1.00 0.00 C ATOM 547 CD GLU A 34 33.169 35.861 19.577 1.00 0.00 C ATOM 548 OE1 GLU A 34 32.737 36.956 19.164 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.901 35.697 20.579 1.00 0.00 O ATOM 0 H GLU A 34 31.033 34.207 15.351 1.00 0.00 H new ATOM 0 HA GLU A 34 32.303 36.516 16.639 1.00 0.00 H new ATOM 0 HB2 GLU A 34 30.985 34.891 17.927 1.00 0.00 H new ATOM 0 HB3 GLU A 34 31.910 33.568 17.245 1.00 0.00 H new ATOM 0 HG2 GLU A 34 32.365 33.896 19.586 1.00 0.00 H new ATOM 0 HG3 GLU A 34 33.801 34.085 18.600 1.00 0.00 H new ATOM 556 N GLY A 35 33.825 34.217 14.896 1.00 0.00 N ATOM 557 CA GLY A 35 35.090 33.992 14.220 1.00 0.00 C ATOM 558 C GLY A 35 35.758 32.626 14.366 1.00 0.00 C ATOM 559 O GLY A 35 36.697 32.277 13.652 1.00 0.00 O ATOM 0 H GLY A 35 33.046 33.669 14.530 1.00 0.00 H new ATOM 0 HA2 GLY A 35 34.935 34.174 13.157 1.00 0.00 H new ATOM 0 HA3 GLY A 35 35.794 34.745 14.573 1.00 0.00 H new ATOM 563 N ILE A 36 35.361 31.881 15.388 1.00 0.00 N ATOM 564 CA ILE A 36 35.951 30.646 15.865 1.00 0.00 C ATOM 565 C ILE A 36 35.761 29.476 14.903 1.00 0.00 C ATOM 566 O ILE A 36 34.670 29.374 14.340 1.00 0.00 O ATOM 567 CB ILE A 36 35.324 30.320 17.228 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.402 31.443 18.258 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.764 29.093 18.029 1.00 0.00 C ATOM 570 CD1 ILE A 36 34.426 31.434 19.439 1.00 0.00 C ATOM 0 H ILE A 36 34.552 32.150 15.948 1.00 0.00 H new ATOM 0 HA ILE A 36 37.028 30.791 15.947 1.00 0.00 H new ATOM 0 HB ILE A 36 34.334 30.126 16.816 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.413 31.446 18.666 1.00 0.00 H new ATOM 0 HG13 ILE A 36 35.269 32.386 17.728 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.199 29.045 18.960 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.578 28.192 17.445 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.828 29.167 18.253 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.616 32.299 20.074 1.00 0.00 H new ATOM 0 HD12 ILE A 36 33.403 31.475 19.066 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.564 30.521 20.018 1.00 0.00 H new ATOM 582 N PRO A 37 36.753 28.612 14.677 1.00 0.00 N ATOM 583 CA PRO A 37 36.581 27.504 13.763 1.00 0.00 C ATOM 584 C PRO A 37 35.732 26.345 14.295 1.00 0.00 C ATOM 585 O PRO A 37 35.748 26.250 15.523 1.00 0.00 O ATOM 586 CB PRO A 37 37.998 26.954 13.620 1.00 0.00 C ATOM 587 CG PRO A 37 38.761 27.374 14.875 1.00 0.00 C ATOM 588 CD PRO A 37 38.029 28.640 15.352 1.00 0.00 C ATOM 0 HA PRO A 37 36.080 27.861 12.863 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.984 25.869 13.521 1.00 0.00 H new ATOM 0 HB3 PRO A 37 38.478 27.349 12.725 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.741 26.592 15.634 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.809 27.578 14.655 1.00 0.00 H new ATOM 0 HD2 PRO A 37 37.903 28.638 16.435 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.590 29.539 15.098 1.00 0.00 H new ATOM 596 N PRO A 38 34.951 25.567 13.558 1.00 0.00 N ATOM 597 CA PRO A 38 33.837 24.801 14.079 1.00 0.00 C ATOM 598 C PRO A 38 34.223 23.576 14.898 1.00 0.00 C ATOM 599 O PRO A 38 33.635 23.308 15.948 1.00 0.00 O ATOM 600 CB PRO A 38 32.972 24.568 12.841 1.00 0.00 C ATOM 601 CG PRO A 38 33.983 24.453 11.697 1.00 0.00 C ATOM 602 CD PRO A 38 35.099 25.411 12.119 1.00 0.00 C ATOM 0 HA PRO A 38 33.278 25.326 14.854 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.374 23.662 12.937 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.278 25.393 12.678 1.00 0.00 H new ATOM 0 HG2 PRO A 38 34.349 23.433 11.585 1.00 0.00 H new ATOM 0 HG3 PRO A 38 33.545 24.741 10.742 1.00 0.00 H new ATOM 0 HD2 PRO A 38 36.080 25.007 11.866 1.00 0.00 H new ATOM 0 HD3 PRO A 38 35.008 26.370 11.608 1.00 0.00 H new ATOM 610 N ASP A 39 35.167 22.735 14.479 1.00 0.00 N ATOM 611 CA ASP A 39 35.752 21.537 15.054 1.00 0.00 C ATOM 612 C ASP A 39 36.612 21.726 16.304 1.00 0.00 C ATOM 613 O ASP A 39 36.968 20.734 16.939 1.00 0.00 O ATOM 614 CB ASP A 39 36.491 20.657 14.057 1.00 0.00 C ATOM 615 CG ASP A 39 37.808 21.302 13.640 1.00 0.00 C ATOM 616 OD1 ASP A 39 37.770 22.308 12.888 1.00 0.00 O ATOM 617 OD2 ASP A 39 38.916 20.780 13.884 1.00 0.00 O ATOM 0 H ASP A 39 35.606 22.918 13.577 1.00 0.00 H new ATOM 0 HA ASP A 39 34.850 21.019 15.381 1.00 0.00 H new ATOM 0 HB2 ASP A 39 36.683 19.680 14.500 1.00 0.00 H new ATOM 0 HB3 ASP A 39 35.867 20.492 13.178 1.00 0.00 H new ATOM 622 N GLN A 40 36.778 22.998 16.669 1.00 0.00 N ATOM 623 CA GLN A 40 37.431 23.428 17.889 1.00 0.00 C ATOM 624 C GLN A 40 36.370 23.479 18.993 1.00 0.00 C ATOM 625 O GLN A 40 36.608 23.336 20.193 1.00 0.00 O ATOM 626 CB GLN A 40 38.153 24.740 17.634 1.00 0.00 C ATOM 627 CG GLN A 40 39.226 25.027 18.688 1.00 0.00 C ATOM 628 CD GLN A 40 39.931 26.354 18.443 1.00 0.00 C ATOM 629 OE1 GLN A 40 39.634 27.394 19.030 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.835 26.286 17.473 1.00 0.00 N ATOM 0 H GLN A 40 36.448 23.777 16.099 1.00 0.00 H new ATOM 0 HA GLN A 40 38.203 22.735 18.223 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.615 24.712 16.647 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.429 25.555 17.625 1.00 0.00 H new ATOM 0 HG2 GLN A 40 38.768 25.038 19.677 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.960 24.221 18.686 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.036 25.392 17.025 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.328 27.128 17.176 1.00 0.00 H new ATOM 639 N GLN A 41 35.097 23.623 18.641 1.00 0.00 N ATOM 640 CA GLN A 41 33.986 23.907 19.521 1.00 0.00 C ATOM 641 C GLN A 41 33.348 22.612 20.029 1.00 0.00 C ATOM 642 O GLN A 41 32.875 21.786 19.257 1.00 0.00 O ATOM 643 CB GLN A 41 32.879 24.711 18.832 1.00 0.00 C ATOM 644 CG GLN A 41 33.539 25.824 18.024 1.00 0.00 C ATOM 645 CD GLN A 41 32.468 26.699 17.404 1.00 0.00 C ATOM 646 OE1 GLN A 41 31.374 26.818 17.942 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.840 27.511 16.408 1.00 0.00 N ATOM 0 H GLN A 41 34.802 23.537 17.668 1.00 0.00 H new ATOM 0 HA GLN A 41 34.404 24.491 20.341 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.288 24.066 18.181 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.196 25.130 19.571 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.185 26.422 18.667 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.171 25.397 17.245 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.755 27.397 15.972 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.209 28.244 16.085 1.00 0.00 H new ATOM 656 N ARG A 42 33.414 22.380 21.336 1.00 0.00 N ATOM 657 CA ARG A 42 32.539 21.422 21.987 1.00 0.00 C ATOM 658 C ARG A 42 31.397 22.204 22.641 1.00 0.00 C ATOM 659 O ARG A 42 31.574 23.164 23.393 1.00 0.00 O ATOM 660 CB ARG A 42 33.359 20.730 23.078 1.00 0.00 C ATOM 661 CG ARG A 42 34.092 19.493 22.549 1.00 0.00 C ATOM 662 CD ARG A 42 34.698 18.849 23.790 1.00 0.00 C ATOM 663 NE ARG A 42 35.273 17.535 23.478 1.00 0.00 N ATOM 664 CZ ARG A 42 35.555 16.553 24.341 1.00 0.00 C ATOM 665 NH1 ARG A 42 35.663 16.807 25.646 1.00 0.00 N ATOM 666 NH2 ARG A 42 35.871 15.344 23.843 1.00 0.00 N ATOM 0 H ARG A 42 34.068 22.846 21.964 1.00 0.00 H new ATOM 0 HA ARG A 42 32.140 20.691 21.284 1.00 0.00 H new ATOM 0 HB2 ARG A 42 34.084 21.433 23.487 1.00 0.00 H new ATOM 0 HB3 ARG A 42 32.701 20.439 23.896 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.408 18.812 22.043 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.862 19.766 21.827 1.00 0.00 H new ATOM 0 HD2 ARG A 42 35.471 19.499 24.200 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.932 18.741 24.558 1.00 0.00 H new ATOM 0 HE ARG A 42 35.480 17.351 22.496 1.00 0.00 H new ATOM 0 HH11 ARG A 42 35.530 17.757 25.993 1.00 0.00 H new ATOM 0 HH12 ARG A 42 35.878 16.051 26.297 1.00 0.00 H new ATOM 0 HH21 ARG A 42 35.890 15.197 22.834 1.00 0.00 H new ATOM 0 HH22 ARG A 42 36.091 14.574 24.475 1.00 0.00 H new ATOM 680 N LEU A 43 30.170 21.822 22.316 1.00 0.00 N ATOM 681 CA LEU A 43 28.918 22.428 22.714 1.00 0.00 C ATOM 682 C LEU A 43 28.276 21.644 23.857 1.00 0.00 C ATOM 683 O LEU A 43 27.988 20.456 23.703 1.00 0.00 O ATOM 684 CB LEU A 43 27.996 22.346 21.486 1.00 0.00 C ATOM 685 CG LEU A 43 28.465 23.059 20.218 1.00 0.00 C ATOM 686 CD1 LEU A 43 27.456 22.833 19.093 1.00 0.00 C ATOM 687 CD2 LEU A 43 28.720 24.564 20.365 1.00 0.00 C ATOM 0 H LEU A 43 30.018 21.011 21.716 1.00 0.00 H new ATOM 0 HA LEU A 43 29.078 23.452 23.052 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.844 21.294 21.246 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.024 22.754 21.764 1.00 0.00 H new ATOM 0 HG LEU A 43 29.434 22.615 19.989 1.00 0.00 H new ATOM 0 HD11 LEU A 43 27.796 23.344 18.192 1.00 0.00 H new ATOM 0 HD12 LEU A 43 27.367 21.765 18.893 1.00 0.00 H new ATOM 0 HD13 LEU A 43 26.485 23.229 19.390 1.00 0.00 H new ATOM 0 HD21 LEU A 43 29.048 24.972 19.409 1.00 0.00 H new ATOM 0 HD22 LEU A 43 27.800 25.060 20.675 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.493 24.730 21.115 1.00 0.00 H new ATOM 699 N ILE A 44 28.225 22.185 25.071 1.00 0.00 N ATOM 700 CA ILE A 44 27.654 21.524 26.231 1.00 0.00 C ATOM 701 C ILE A 44 26.294 22.109 26.585 1.00 0.00 C ATOM 702 O ILE A 44 26.120 23.321 26.488 1.00 0.00 O ATOM 703 CB ILE A 44 28.654 21.746 27.366 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.890 20.923 27.018 1.00 0.00 C ATOM 705 CG2 ILE A 44 28.158 21.299 28.750 1.00 0.00 C ATOM 706 CD1 ILE A 44 31.171 21.453 27.659 1.00 0.00 C ATOM 0 H ILE A 44 28.589 23.116 25.276 1.00 0.00 H new ATOM 0 HA ILE A 44 27.488 20.463 26.041 1.00 0.00 H new ATOM 0 HB ILE A 44 28.837 22.818 27.443 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.733 19.892 27.336 1.00 0.00 H new ATOM 0 HG13 ILE A 44 30.014 20.907 25.935 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.931 21.494 29.494 1.00 0.00 H new ATOM 0 HG22 ILE A 44 27.256 21.854 29.010 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.935 20.232 28.729 1.00 0.00 H new ATOM 0 HD11 ILE A 44 32.011 20.821 27.370 1.00 0.00 H new ATOM 0 HD12 ILE A 44 31.352 22.474 27.321 1.00 0.00 H new ATOM 0 HD13 ILE A 44 31.066 21.443 28.744 1.00 0.00 H new ATOM 718 N PHE A 45 25.346 21.328 27.084 1.00 0.00 N ATOM 719 CA PHE A 45 24.128 21.771 27.731 1.00 0.00 C ATOM 720 C PHE A 45 23.486 20.690 28.599 1.00 0.00 C ATOM 721 O PHE A 45 23.379 19.552 28.150 1.00 0.00 O ATOM 722 CB PHE A 45 23.157 22.403 26.737 1.00 0.00 C ATOM 723 CG PHE A 45 21.702 22.557 27.098 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.768 21.566 26.756 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.230 23.753 27.640 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.408 21.784 27.047 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.879 24.005 27.920 1.00 0.00 C ATOM 728 CZ PHE A 45 18.974 22.994 27.590 1.00 0.00 C ATOM 0 H PHE A 45 25.414 20.311 27.044 1.00 0.00 H new ATOM 0 HA PHE A 45 24.412 22.560 28.428 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.538 23.396 26.498 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.203 21.815 25.820 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.088 20.652 26.278 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.947 24.531 27.857 1.00 0.00 H new ATOM 0 HE1 PHE A 45 18.690 21.003 26.847 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.555 24.933 28.368 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.919 23.151 27.758 1.00 0.00 H new ATOM 738 N ALA A 46 22.966 21.033 29.772 1.00 0.00 N ATOM 739 CA ALA A 46 22.111 20.292 30.684 1.00 0.00 C ATOM 740 C ALA A 46 22.743 18.974 31.127 1.00 0.00 C ATOM 741 O ALA A 46 22.012 18.052 31.492 1.00 0.00 O ATOM 742 CB ALA A 46 20.712 20.043 30.105 1.00 0.00 C ATOM 0 H ALA A 46 23.162 21.959 30.152 1.00 0.00 H new ATOM 0 HA ALA A 46 22.000 20.926 31.564 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.114 19.486 30.826 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.230 20.998 29.894 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.797 19.468 29.183 1.00 0.00 H new ATOM 748 N GLY A 47 24.065 18.893 31.168 1.00 0.00 N ATOM 749 CA GLY A 47 24.848 17.771 31.628 1.00 0.00 C ATOM 750 C GLY A 47 25.340 16.875 30.490 1.00 0.00 C ATOM 751 O GLY A 47 26.028 15.902 30.808 1.00 0.00 O ATOM 0 H GLY A 47 24.653 19.667 30.858 1.00 0.00 H new ATOM 0 HA2 GLY A 47 25.707 18.140 32.189 1.00 0.00 H new ATOM 0 HA3 GLY A 47 24.249 17.176 32.318 1.00 0.00 H new ATOM 755 N LYS A 48 25.067 17.172 29.221 1.00 0.00 N ATOM 756 CA LYS A 48 25.465 16.533 27.977 1.00 0.00 C ATOM 757 C LYS A 48 26.241 17.433 27.014 1.00 0.00 C ATOM 758 O LYS A 48 25.971 18.637 27.013 1.00 0.00 O ATOM 759 CB LYS A 48 24.300 15.840 27.290 1.00 0.00 C ATOM 760 CG LYS A 48 23.970 14.534 28.012 1.00 0.00 C ATOM 761 CD LYS A 48 22.536 14.137 27.669 1.00 0.00 C ATOM 762 CE LYS A 48 22.158 12.721 28.114 1.00 0.00 C ATOM 763 NZ LYS A 48 20.742 12.503 27.793 1.00 0.00 N ATOM 0 H LYS A 48 24.479 17.981 29.020 1.00 0.00 H new ATOM 0 HA LYS A 48 26.179 15.767 28.280 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.428 16.494 27.287 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.550 15.637 26.249 1.00 0.00 H new ATOM 0 HG2 LYS A 48 24.663 13.749 27.709 1.00 0.00 H new ATOM 0 HG3 LYS A 48 24.081 14.659 29.089 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.852 14.847 28.134 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.396 14.218 26.591 1.00 0.00 H new ATOM 0 HE2 LYS A 48 22.781 11.984 27.607 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.328 12.600 29.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.463 11.545 28.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.160 13.203 28.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.599 12.606 26.768 1.00 0.00 H new ATOM 777 N GLN A 49 27.074 16.773 26.221 1.00 0.00 N ATOM 778 CA GLN A 49 27.740 17.352 25.068 1.00 0.00 C ATOM 779 C GLN A 49 26.887 17.028 23.835 1.00 0.00 C ATOM 780 O GLN A 49 26.633 15.910 23.388 1.00 0.00 O ATOM 781 CB GLN A 49 29.117 16.776 24.745 1.00 0.00 C ATOM 782 CG GLN A 49 30.154 17.220 25.790 1.00 0.00 C ATOM 783 CD GLN A 49 31.580 16.890 25.366 1.00 0.00 C ATOM 784 OE1 GLN A 49 32.527 17.225 26.072 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.848 16.099 24.334 1.00 0.00 N ATOM 0 H GLN A 49 27.310 15.792 26.369 1.00 0.00 H new ATOM 0 HA GLN A 49 27.861 18.409 25.305 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.064 15.688 24.719 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.430 17.104 23.754 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.065 18.294 25.953 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.939 16.734 26.742 1.00 0.00 H new ATOM 0 HE21 GLN A 49 31.096 15.793 23.717 1.00 0.00 H new ATOM 0 HE22 GLN A 49 32.806 15.798 24.158 1.00 0.00 H new ATOM 794 N LEU A 50 26.376 18.091 23.209 1.00 0.00 N ATOM 795 CA LEU A 50 25.522 18.080 22.041 1.00 0.00 C ATOM 796 C LEU A 50 26.227 17.504 20.807 1.00 0.00 C ATOM 797 O LEU A 50 27.159 18.153 20.354 1.00 0.00 O ATOM 798 CB LEU A 50 25.089 19.513 21.731 1.00 0.00 C ATOM 799 CG LEU A 50 24.381 20.274 22.856 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.273 21.777 22.576 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.026 19.676 23.228 1.00 0.00 C ATOM 0 H LEU A 50 26.566 19.039 23.534 1.00 0.00 H new ATOM 0 HA LEU A 50 24.666 17.444 22.265 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.973 20.080 21.440 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.426 19.489 20.866 1.00 0.00 H new ATOM 0 HG LEU A 50 25.023 20.155 23.729 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.763 22.266 23.406 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.272 22.199 22.465 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.707 21.936 21.658 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.578 20.262 24.030 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.370 19.691 22.358 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.162 18.647 23.562 1.00 0.00 H new ATOM 813 N GLU A 51 25.796 16.348 20.314 1.00 0.00 N ATOM 814 CA GLU A 51 26.574 15.561 19.374 1.00 0.00 C ATOM 815 C GLU A 51 26.202 16.047 17.971 1.00 0.00 C ATOM 816 O GLU A 51 25.015 16.289 17.808 1.00 0.00 O ATOM 817 CB GLU A 51 26.043 14.144 19.542 1.00 0.00 C ATOM 818 CG GLU A 51 26.655 13.023 18.691 1.00 0.00 C ATOM 819 CD GLU A 51 26.131 11.657 19.107 1.00 0.00 C ATOM 820 OE1 GLU A 51 25.059 11.653 19.763 1.00 0.00 O ATOM 821 OE2 GLU A 51 26.761 10.622 18.814 1.00 0.00 O ATOM 0 H GLU A 51 24.897 15.933 20.557 1.00 0.00 H new ATOM 0 HA GLU A 51 27.651 15.629 19.526 1.00 0.00 H new ATOM 0 HB2 GLU A 51 26.164 13.868 20.589 1.00 0.00 H new ATOM 0 HB3 GLU A 51 24.972 14.166 19.340 1.00 0.00 H new ATOM 0 HG2 GLU A 51 26.426 13.197 17.640 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.740 13.042 18.788 1.00 0.00 H new ATOM 828 N ASP A 52 27.196 15.987 17.095 1.00 0.00 N ATOM 829 CA ASP A 52 27.244 16.264 15.670 1.00 0.00 C ATOM 830 C ASP A 52 26.403 15.317 14.809 1.00 0.00 C ATOM 831 O ASP A 52 26.528 14.114 15.004 1.00 0.00 O ATOM 832 CB ASP A 52 28.675 16.101 15.159 1.00 0.00 C ATOM 833 CG ASP A 52 29.529 17.343 15.365 1.00 0.00 C ATOM 834 OD1 ASP A 52 29.241 18.505 14.994 1.00 0.00 O ATOM 835 OD2 ASP A 52 30.559 17.086 16.033 1.00 0.00 O ATOM 0 H ASP A 52 28.120 15.701 17.420 1.00 0.00 H new ATOM 0 HA ASP A 52 26.852 17.277 15.577 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.142 15.258 15.668 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.649 15.857 14.097 1.00 0.00 H new ATOM 840 N GLY A 53 25.600 15.811 13.869 1.00 0.00 N ATOM 841 CA GLY A 53 24.683 15.092 13.003 1.00 0.00 C ATOM 842 C GLY A 53 23.197 15.159 13.357 1.00 0.00 C ATOM 843 O GLY A 53 22.342 14.871 12.522 1.00 0.00 O ATOM 0 H GLY A 53 25.577 16.813 13.682 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.807 15.471 11.989 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.981 14.044 12.990 1.00 0.00 H new ATOM 847 N ARG A 54 22.919 15.710 14.530 1.00 0.00 N ATOM 848 CA ARG A 54 21.634 15.819 15.191 1.00 0.00 C ATOM 849 C ARG A 54 21.114 17.248 14.998 1.00 0.00 C ATOM 850 O ARG A 54 21.885 18.191 14.884 1.00 0.00 O ATOM 851 CB ARG A 54 21.791 15.558 16.684 1.00 0.00 C ATOM 852 CG ARG A 54 22.244 14.176 17.172 1.00 0.00 C ATOM 853 CD ARG A 54 22.043 13.790 18.636 1.00 0.00 C ATOM 854 NE ARG A 54 22.577 12.483 18.984 1.00 0.00 N ATOM 855 CZ ARG A 54 22.015 11.311 19.298 1.00 0.00 C ATOM 856 NH1 ARG A 54 20.684 11.212 19.346 1.00 0.00 N ATOM 857 NH2 ARG A 54 22.859 10.277 19.446 1.00 0.00 N ATOM 0 H ARG A 54 23.659 16.130 15.092 1.00 0.00 H new ATOM 0 HA ARG A 54 20.943 15.090 14.768 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.503 16.288 17.069 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.831 15.770 17.154 1.00 0.00 H new ATOM 0 HG2 ARG A 54 21.730 13.431 16.565 1.00 0.00 H new ATOM 0 HG3 ARG A 54 23.308 14.086 16.954 1.00 0.00 H new ATOM 0 HD2 ARG A 54 22.515 14.543 19.267 1.00 0.00 H new ATOM 0 HD3 ARG A 54 20.977 13.807 18.862 1.00 0.00 H new ATOM 0 HE ARG A 54 23.597 12.454 18.990 1.00 0.00 H new ATOM 0 HH11 ARG A 54 20.104 12.027 19.144 1.00 0.00 H new ATOM 0 HH12 ARG A 54 20.247 10.322 19.585 1.00 0.00 H new ATOM 0 HH21 ARG A 54 23.862 10.415 19.319 1.00 0.00 H new ATOM 0 HH22 ARG A 54 22.497 9.354 19.686 1.00 0.00 H new ATOM 871 N THR A 55 19.787 17.360 15.126 1.00 0.00 N ATOM 872 CA THR A 55 19.178 18.672 15.115 1.00 0.00 C ATOM 873 C THR A 55 18.893 18.908 16.595 1.00 0.00 C ATOM 874 O THR A 55 18.695 17.988 17.383 1.00 0.00 O ATOM 875 CB THR A 55 17.935 18.739 14.227 1.00 0.00 C ATOM 876 OG1 THR A 55 16.894 17.873 14.616 1.00 0.00 O ATOM 877 CG2 THR A 55 18.103 18.532 12.721 1.00 0.00 C ATOM 0 H THR A 55 19.141 16.578 15.235 1.00 0.00 H new ATOM 0 HA THR A 55 19.811 19.446 14.681 1.00 0.00 H new ATOM 0 HB THR A 55 17.692 19.788 14.396 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.137 17.975 14.002 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.132 18.609 12.233 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.772 19.294 12.321 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.525 17.545 12.534 1.00 0.00 H new ATOM 885 N LEU A 56 18.804 20.174 16.999 1.00 0.00 N ATOM 886 CA LEU A 56 18.218 20.719 18.210 1.00 0.00 C ATOM 887 C LEU A 56 16.968 20.055 18.780 1.00 0.00 C ATOM 888 O LEU A 56 16.752 19.924 19.980 1.00 0.00 O ATOM 889 CB LEU A 56 18.133 22.238 18.041 1.00 0.00 C ATOM 890 CG LEU A 56 19.394 22.979 17.598 1.00 0.00 C ATOM 891 CD1 LEU A 56 19.294 24.507 17.508 1.00 0.00 C ATOM 892 CD2 LEU A 56 20.609 22.589 18.441 1.00 0.00 C ATOM 0 H LEU A 56 19.185 20.920 16.417 1.00 0.00 H new ATOM 0 HA LEU A 56 18.892 20.459 19.027 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.348 22.450 17.315 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.812 22.663 18.992 1.00 0.00 H new ATOM 0 HG LEU A 56 19.520 22.642 16.569 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.251 24.916 17.184 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.521 24.779 16.789 1.00 0.00 H new ATOM 0 HD13 LEU A 56 19.039 24.913 18.487 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.484 23.138 18.094 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.420 22.832 19.487 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.790 21.519 18.345 1.00 0.00 H new ATOM 904 N SER A 57 16.159 19.626 17.815 1.00 0.00 N ATOM 905 CA SER A 57 14.919 18.951 18.166 1.00 0.00 C ATOM 906 C SER A 57 15.072 17.611 18.890 1.00 0.00 C ATOM 907 O SER A 57 14.201 17.231 19.673 1.00 0.00 O ATOM 908 CB SER A 57 13.987 18.835 16.969 1.00 0.00 C ATOM 909 OG SER A 57 12.665 18.627 17.413 1.00 0.00 O ATOM 0 H SER A 57 16.333 19.730 16.815 1.00 0.00 H new ATOM 0 HA SER A 57 14.464 19.605 18.910 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.040 19.741 16.366 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.301 18.009 16.331 1.00 0.00 H new ATOM 0 HG SER A 57 12.068 18.554 16.639 1.00 0.00 H new ATOM 915 N ASP A 58 16.213 16.939 18.771 1.00 0.00 N ATOM 916 CA ASP A 58 16.448 15.644 19.387 1.00 0.00 C ATOM 917 C ASP A 58 16.768 15.776 20.877 1.00 0.00 C ATOM 918 O ASP A 58 16.507 14.828 21.614 1.00 0.00 O ATOM 919 CB ASP A 58 17.599 14.957 18.658 1.00 0.00 C ATOM 920 CG ASP A 58 17.707 13.479 18.986 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.860 12.626 18.631 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.668 13.202 19.743 1.00 0.00 O ATOM 0 H ASP A 58 17.009 17.286 18.236 1.00 0.00 H new ATOM 0 HA ASP A 58 15.540 15.047 19.305 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.465 15.077 17.583 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.535 15.451 18.919 1.00 0.00 H new ATOM 927 N TYR A 59 17.240 16.941 21.281 1.00 0.00 N ATOM 928 CA TYR A 59 17.686 17.290 22.615 1.00 0.00 C ATOM 929 C TYR A 59 16.614 18.202 23.206 1.00 0.00 C ATOM 930 O TYR A 59 16.744 18.666 24.341 1.00 0.00 O ATOM 931 CB TYR A 59 18.963 18.135 22.528 1.00 0.00 C ATOM 932 CG TYR A 59 20.164 17.254 22.313 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.727 16.483 23.327 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.843 17.374 21.093 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.863 15.686 23.144 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.051 16.700 20.898 1.00 0.00 C ATOM 937 CZ TYR A 59 22.525 15.853 21.922 1.00 0.00 C ATOM 938 OH TYR A 59 23.605 15.065 21.687 1.00 0.00 O ATOM 0 H TYR A 59 17.328 17.726 20.636 1.00 0.00 H new ATOM 0 HA TYR A 59 17.862 16.388 23.201 1.00 0.00 H new ATOM 0 HB2 TYR A 59 18.878 18.850 21.710 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.087 18.712 23.444 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.264 16.501 24.303 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.433 17.987 20.304 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.206 14.989 23.895 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.610 16.825 19.983 1.00 0.00 H new ATOM 0 HH TYR A 59 23.317 14.238 21.247 1.00 0.00 H new ATOM 948 N ASN A 60 15.557 18.507 22.454 1.00 0.00 N ATOM 949 CA ASN A 60 14.374 19.245 22.838 1.00 0.00 C ATOM 950 C ASN A 60 14.695 20.631 23.394 1.00 0.00 C ATOM 951 O ASN A 60 14.255 21.112 24.434 1.00 0.00 O ATOM 952 CB ASN A 60 13.495 18.613 23.904 1.00 0.00 C ATOM 953 CG ASN A 60 12.886 17.306 23.421 1.00 0.00 C ATOM 954 OD1 ASN A 60 13.367 16.250 23.824 1.00 0.00 O ATOM 955 ND2 ASN A 60 11.848 17.335 22.583 1.00 0.00 N ATOM 0 H ASN A 60 15.512 18.215 21.478 1.00 0.00 H new ATOM 0 HA ASN A 60 13.840 19.267 21.888 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.085 18.431 24.802 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.700 19.306 24.180 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.430 16.463 22.258 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.472 18.229 22.267 1.00 0.00 H new ATOM 962 N ILE A 61 15.503 21.319 22.603 1.00 0.00 N ATOM 963 CA ILE A 61 15.955 22.656 22.968 1.00 0.00 C ATOM 964 C ILE A 61 14.833 23.648 22.630 1.00 0.00 C ATOM 965 O ILE A 61 14.426 23.839 21.491 1.00 0.00 O ATOM 966 CB ILE A 61 17.335 22.973 22.400 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.356 21.879 22.738 1.00 0.00 C ATOM 968 CG2 ILE A 61 17.764 24.362 22.871 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.512 21.680 21.766 1.00 0.00 C ATOM 0 H ILE A 61 15.858 20.978 21.710 1.00 0.00 H new ATOM 0 HA ILE A 61 16.129 22.737 24.041 1.00 0.00 H new ATOM 0 HB ILE A 61 17.285 22.987 21.311 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.775 22.100 23.720 1.00 0.00 H new ATOM 0 HG13 ILE A 61 17.821 20.933 22.825 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.750 24.594 22.468 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.045 25.103 22.521 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.803 24.381 23.960 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.156 20.878 22.126 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.120 21.418 20.783 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.088 22.602 21.692 1.00 0.00 H new ATOM 981 N GLN A 62 14.276 24.299 23.656 1.00 0.00 N ATOM 982 CA GLN A 62 13.445 25.449 23.424 1.00 0.00 C ATOM 983 C GLN A 62 14.158 26.762 23.079 1.00 0.00 C ATOM 984 O GLN A 62 15.283 26.891 23.542 1.00 0.00 O ATOM 985 CB GLN A 62 12.578 25.656 24.669 1.00 0.00 C ATOM 986 CG GLN A 62 11.255 24.909 24.719 1.00 0.00 C ATOM 987 CD GLN A 62 10.120 25.456 23.862 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.332 26.394 23.093 1.00 0.00 O ATOM 989 NE2 GLN A 62 8.914 24.911 23.867 1.00 0.00 N ATOM 0 H GLN A 62 14.392 24.042 24.636 1.00 0.00 H new ATOM 0 HA GLN A 62 12.873 25.219 22.525 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.164 25.367 25.542 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.369 26.722 24.764 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.437 23.876 24.421 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.917 24.887 25.755 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.709 24.132 24.493 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.190 25.269 23.245 1.00 0.00 H new ATOM 998 N LYS A 63 13.393 27.750 22.606 1.00 0.00 N ATOM 999 CA LYS A 63 13.812 29.139 22.646 1.00 0.00 C ATOM 1000 C LYS A 63 14.238 29.738 23.988 1.00 0.00 C ATOM 1001 O LYS A 63 13.743 29.421 25.074 1.00 0.00 O ATOM 1002 CB LYS A 63 12.716 29.993 22.016 1.00 0.00 C ATOM 1003 CG LYS A 63 11.438 30.159 22.845 1.00 0.00 C ATOM 1004 CD LYS A 63 10.265 30.527 21.924 1.00 0.00 C ATOM 1005 CE LYS A 63 8.946 30.747 22.678 1.00 0.00 C ATOM 1006 NZ LYS A 63 7.866 30.814 21.687 1.00 0.00 N ATOM 0 H LYS A 63 12.474 27.603 22.189 1.00 0.00 H new ATOM 0 HA LYS A 63 14.747 29.146 22.086 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.125 30.983 21.812 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.448 29.555 21.055 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.217 29.235 23.379 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.579 30.935 23.597 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.516 31.433 21.373 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.127 29.734 21.189 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.768 29.934 23.381 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.988 31.668 23.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.958 30.963 22.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.043 31.603 21.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.830 29.923 21.152 1.00 0.00 H new ATOM 1020 N GLU A 64 15.238 30.609 23.907 1.00 0.00 N ATOM 1021 CA GLU A 64 15.730 31.420 25.001 1.00 0.00 C ATOM 1022 C GLU A 64 16.547 30.626 26.027 1.00 0.00 C ATOM 1023 O GLU A 64 16.755 31.201 27.090 1.00 0.00 O ATOM 1024 CB GLU A 64 14.610 32.291 25.571 1.00 0.00 C ATOM 1025 CG GLU A 64 14.092 33.418 24.682 1.00 0.00 C ATOM 1026 CD GLU A 64 12.738 34.015 25.015 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.181 33.805 26.124 1.00 0.00 O ATOM 1028 OE2 GLU A 64 12.268 34.811 24.174 1.00 0.00 O ATOM 0 H GLU A 64 15.746 30.772 23.037 1.00 0.00 H new ATOM 0 HA GLU A 64 16.470 32.117 24.608 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.770 31.643 25.821 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.963 32.730 26.504 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.827 34.223 24.699 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.051 33.046 23.658 1.00 0.00 H new ATOM 1035 N SER A 65 16.889 29.353 25.864 1.00 0.00 N ATOM 1036 CA SER A 65 17.767 28.501 26.635 1.00 0.00 C ATOM 1037 C SER A 65 19.216 28.972 26.544 1.00 0.00 C ATOM 1038 O SER A 65 19.626 29.596 25.569 1.00 0.00 O ATOM 1039 CB SER A 65 17.601 27.032 26.210 1.00 0.00 C ATOM 1040 OG SER A 65 16.244 26.765 25.944 1.00 0.00 O ATOM 0 H SER A 65 16.499 28.831 25.079 1.00 0.00 H new ATOM 0 HA SER A 65 17.484 28.570 27.685 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.202 26.830 25.323 1.00 0.00 H new ATOM 0 HB3 SER A 65 17.964 26.372 26.998 1.00 0.00 H new ATOM 0 HG SER A 65 16.047 26.973 25.007 1.00 0.00 H new ATOM 1046 N THR A 66 20.004 28.627 27.567 1.00 0.00 N ATOM 1047 CA THR A 66 21.387 29.033 27.676 1.00 0.00 C ATOM 1048 C THR A 66 22.212 27.751 27.575 1.00 0.00 C ATOM 1049 O THR A 66 22.135 26.847 28.418 1.00 0.00 O ATOM 1050 CB THR A 66 21.597 29.815 28.970 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.763 30.953 29.048 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.040 30.251 29.200 1.00 0.00 C ATOM 0 H THR A 66 19.685 28.051 28.346 1.00 0.00 H new ATOM 0 HA THR A 66 21.700 29.714 26.885 1.00 0.00 H new ATOM 0 HB THR A 66 21.330 29.107 29.755 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.929 31.423 29.892 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.109 30.801 30.139 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.683 29.372 29.246 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.361 30.893 28.380 1.00 0.00 H new ATOM 1060 N LEU A 67 22.956 27.604 26.481 1.00 0.00 N ATOM 1061 CA LEU A 67 23.818 26.493 26.152 1.00 0.00 C ATOM 1062 C LEU A 67 25.223 27.068 26.284 1.00 0.00 C ATOM 1063 O LEU A 67 25.321 28.280 26.439 1.00 0.00 O ATOM 1064 CB LEU A 67 23.413 25.953 24.779 1.00 0.00 C ATOM 1065 CG LEU A 67 21.942 25.621 24.511 1.00 0.00 C ATOM 1066 CD1 LEU A 67 21.161 26.800 23.939 1.00 0.00 C ATOM 1067 CD2 LEU A 67 21.715 24.244 23.878 1.00 0.00 C ATOM 0 H LEU A 67 22.966 28.318 25.752 1.00 0.00 H new ATOM 0 HA LEU A 67 23.751 25.616 26.796 1.00 0.00 H new ATOM 0 HB2 LEU A 67 23.725 26.684 24.034 1.00 0.00 H new ATOM 0 HB3 LEU A 67 23.992 25.047 24.599 1.00 0.00 H new ATOM 0 HG LEU A 67 21.467 25.477 25.481 1.00 0.00 H new ATOM 0 HD11 LEU A 67 20.126 26.503 23.770 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.190 27.632 24.643 1.00 0.00 H new ATOM 0 HD13 LEU A 67 21.608 27.109 22.994 1.00 0.00 H new ATOM 0 HD21 LEU A 67 20.648 24.087 23.721 1.00 0.00 H new ATOM 0 HD22 LEU A 67 22.234 24.194 22.921 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.102 23.470 24.541 1.00 0.00 H new ATOM 1079 N HIS A 68 26.278 26.251 26.250 1.00 0.00 N ATOM 1080 CA HIS A 68 27.604 26.615 26.700 1.00 0.00 C ATOM 1081 C HIS A 68 28.625 26.241 25.619 1.00 0.00 C ATOM 1082 O HIS A 68 28.502 25.153 25.057 1.00 0.00 O ATOM 1083 CB HIS A 68 27.757 25.948 28.062 1.00 0.00 C ATOM 1084 CG HIS A 68 26.873 26.439 29.162 1.00 0.00 C ATOM 1085 ND1 HIS A 68 25.608 25.896 29.385 1.00 0.00 N ATOM 1086 CD2 HIS A 68 27.214 27.347 30.134 1.00 0.00 C ATOM 1087 CE1 HIS A 68 25.175 26.584 30.435 1.00 0.00 C ATOM 1088 NE2 HIS A 68 26.067 27.481 30.890 1.00 0.00 N ATOM 0 H HIS A 68 26.222 25.295 25.898 1.00 0.00 H new ATOM 0 HA HIS A 68 27.776 27.682 26.840 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.581 24.880 27.937 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.792 26.065 28.382 1.00 0.00 H new ATOM 0 HD2 HIS A 68 28.163 27.843 30.275 1.00 0.00 H new ATOM 0 HE1 HIS A 68 24.202 26.437 30.880 1.00 0.00 H new ATOM 0 HE2 HIS A 68 25.922 28.140 31.655 1.00 0.00 H new ATOM 1096 N LEU A 69 29.620 27.104 25.449 1.00 0.00 N ATOM 1097 CA LEU A 69 30.807 26.780 24.674 1.00 0.00 C ATOM 1098 C LEU A 69 32.123 26.723 25.465 1.00 0.00 C ATOM 1099 O LEU A 69 32.464 27.617 26.237 1.00 0.00 O ATOM 1100 CB LEU A 69 30.960 27.812 23.568 1.00 0.00 C ATOM 1101 CG LEU A 69 32.106 27.671 22.562 1.00 0.00 C ATOM 1102 CD1 LEU A 69 32.237 26.279 21.944 1.00 0.00 C ATOM 1103 CD2 LEU A 69 32.069 28.752 21.474 1.00 0.00 C ATOM 0 H LEU A 69 29.625 28.044 25.844 1.00 0.00 H new ATOM 0 HA LEU A 69 30.642 25.770 24.300 1.00 0.00 H new ATOM 0 HB2 LEU A 69 30.028 27.826 23.003 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.060 28.788 24.043 1.00 0.00 H new ATOM 0 HG LEU A 69 33.005 27.820 23.160 1.00 0.00 H new ATOM 0 HD11 LEU A 69 33.073 26.269 21.244 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.414 25.546 22.731 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.318 26.028 21.415 1.00 0.00 H new ATOM 0 HD21 LEU A 69 32.903 28.606 20.787 1.00 0.00 H new ATOM 0 HD22 LEU A 69 31.130 28.683 20.925 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.148 29.736 21.936 1.00 0.00 H new ATOM 1115 N VAL A 70 32.858 25.628 25.290 1.00 0.00 N ATOM 1116 CA VAL A 70 34.209 25.469 25.787 1.00 0.00 C ATOM 1117 C VAL A 70 34.966 24.924 24.574 1.00 0.00 C ATOM 1118 O VAL A 70 34.461 24.189 23.736 1.00 0.00 O ATOM 1119 CB VAL A 70 34.154 24.511 26.974 1.00 0.00 C ATOM 1120 CG1 VAL A 70 35.574 24.171 27.423 1.00 0.00 C ATOM 1121 CG2 VAL A 70 33.251 24.965 28.116 1.00 0.00 C ATOM 0 H VAL A 70 32.516 24.810 24.785 1.00 0.00 H new ATOM 0 HA VAL A 70 34.698 26.370 26.156 1.00 0.00 H new ATOM 0 HB VAL A 70 33.669 23.598 26.630 1.00 0.00 H new ATOM 0 HG11 VAL A 70 35.534 23.487 28.271 1.00 0.00 H new ATOM 0 HG12 VAL A 70 36.112 23.699 26.601 1.00 0.00 H new ATOM 0 HG13 VAL A 70 36.091 25.084 27.718 1.00 0.00 H new ATOM 0 HG21 VAL A 70 33.274 24.224 28.915 1.00 0.00 H new ATOM 0 HG22 VAL A 70 33.603 25.923 28.500 1.00 0.00 H new ATOM 0 HG23 VAL A 70 32.230 25.074 27.751 1.00 0.00 H new ATOM 1131 N LEU A 71 36.157 25.494 24.376 1.00 0.00 N ATOM 1132 CA LEU A 71 36.919 25.219 23.170 1.00 0.00 C ATOM 1133 C LEU A 71 37.956 24.141 23.498 1.00 0.00 C ATOM 1134 O LEU A 71 38.357 24.078 24.661 1.00 0.00 O ATOM 1135 CB LEU A 71 37.697 26.427 22.652 1.00 0.00 C ATOM 1136 CG LEU A 71 36.894 27.704 22.395 1.00 0.00 C ATOM 1137 CD1 LEU A 71 37.798 28.831 21.887 1.00 0.00 C ATOM 1138 CD2 LEU A 71 35.615 27.579 21.574 1.00 0.00 C ATOM 0 H LEU A 71 36.604 26.138 25.028 1.00 0.00 H new ATOM 0 HA LEU A 71 36.202 24.920 22.406 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.483 26.659 23.370 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.189 26.142 21.722 1.00 0.00 H new ATOM 0 HG LEU A 71 36.506 27.958 23.381 1.00 0.00 H new ATOM 0 HD11 LEU A 71 37.201 29.726 21.713 1.00 0.00 H new ATOM 0 HD12 LEU A 71 38.565 29.046 22.631 1.00 0.00 H new ATOM 0 HD13 LEU A 71 38.273 28.525 20.955 1.00 0.00 H new ATOM 0 HD21 LEU A 71 35.151 28.560 21.472 1.00 0.00 H new ATOM 0 HD22 LEU A 71 35.854 27.186 20.586 1.00 0.00 H new ATOM 0 HD23 LEU A 71 34.925 26.902 22.077 1.00 0.00 H new