USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 726 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 LEU N :NH3+ 157:sc= 0.0123 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00274 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 147:sc= -1.18 (180deg=-2.19!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -177:sc= -2.33! (180deg=-2.42!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= -0.0334 (180deg=-0.067) USER MOD Single : A 35 SER OG : rot -150:sc= 0 USER MOD Single : A 44 SER OG : rot 160:sc= -0.794 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 52 HIS :FLIP no HD1:sc= -2.41 F(o=-4.3!,f=-2.4) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0714 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -13:sc= 0.553 USER MOD Single : A 60 ASN : amide:sc= -0.693 X(o=-0.69,f=-0.39) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0208 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 166:sc= -0.0585 (180deg=-0.394) USER MOD Single : A 77 ASN : amide:sc= -1.2 K(o=-1.2,f=-3.1!) USER MOD Single : A 78 HIS : no HE2:sc= -1.5 K(o=-1.5,f=-2.2!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.227 USER MOD Single : A 80 THR OG1 : rot -47:sc= 0.811 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.535 K(o=-0.53,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -14.442 19.274 -4.818 1.00 0.00 N ATOM 2 CA LEU A 1 -13.052 19.116 -5.323 1.00 0.00 C ATOM 3 C LEU A 1 -12.847 17.740 -5.950 1.00 0.00 C ATOM 4 O LEU A 1 -13.558 16.787 -5.625 1.00 0.00 O ATOM 5 CB LEU A 1 -12.084 19.318 -4.154 1.00 0.00 C ATOM 6 CG LEU A 1 -11.196 20.560 -4.256 1.00 0.00 C ATOM 7 CD1 LEU A 1 -12.046 21.813 -4.384 1.00 0.00 C ATOM 8 CD2 LEU A 1 -10.278 20.657 -3.048 1.00 0.00 C ATOM 0 H1 LEU A 1 -14.462 20.007 -4.081 1.00 0.00 H new ATOM 0 H2 LEU A 1 -15.066 19.553 -5.601 1.00 0.00 H new ATOM 0 H3 LEU A 1 -14.771 18.372 -4.418 1.00 0.00 H new ATOM 0 HA LEU A 1 -12.864 19.859 -6.098 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -12.660 19.377 -3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -11.445 18.439 -4.075 1.00 0.00 H new ATOM 0 HG LEU A 1 -10.579 20.472 -5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -11.398 22.687 -4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -12.663 21.744 -5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -12.688 21.908 -3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -9.653 21.546 -3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -10.877 20.723 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -9.644 19.771 -3.000 1.00 0.00 H new ATOM 22 N PHE A 2 -11.871 17.642 -6.846 1.00 0.00 N ATOM 23 CA PHE A 2 -11.573 16.381 -7.516 1.00 0.00 C ATOM 24 C PHE A 2 -10.799 15.445 -6.592 1.00 0.00 C ATOM 25 O PHE A 2 -9.870 15.865 -5.903 1.00 0.00 O ATOM 26 CB PHE A 2 -10.769 16.635 -8.793 1.00 0.00 C ATOM 27 CG PHE A 2 -11.396 17.648 -9.707 1.00 0.00 C ATOM 28 CD1 PHE A 2 -12.673 17.452 -10.208 1.00 0.00 C ATOM 29 CD2 PHE A 2 -10.710 18.798 -10.064 1.00 0.00 C ATOM 30 CE1 PHE A 2 -13.253 18.383 -11.050 1.00 0.00 C ATOM 31 CE2 PHE A 2 -11.284 19.732 -10.905 1.00 0.00 C ATOM 32 CZ PHE A 2 -12.557 19.525 -11.398 1.00 0.00 C ATOM 0 H PHE A 2 -11.273 18.420 -7.125 1.00 0.00 H new ATOM 0 HA PHE A 2 -12.518 15.905 -7.779 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -9.769 16.973 -8.521 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -10.652 15.695 -9.332 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -13.222 16.562 -9.938 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -9.715 18.966 -9.680 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -14.248 18.218 -11.435 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -10.737 20.623 -11.176 1.00 0.00 H new ATOM 0 HZ PHE A 2 -13.008 20.254 -12.054 1.00 0.00 H new ATOM 42 N ILE A 3 -11.190 14.175 -6.584 1.00 0.00 N ATOM 43 CA ILE A 3 -10.533 13.179 -5.744 1.00 0.00 C ATOM 44 C ILE A 3 -9.592 12.302 -6.566 1.00 0.00 C ATOM 45 O ILE A 3 -10.027 11.373 -7.248 1.00 0.00 O ATOM 46 CB ILE A 3 -11.562 12.288 -5.018 1.00 0.00 C ATOM 47 CG1 ILE A 3 -10.854 11.300 -4.087 1.00 0.00 C ATOM 48 CG2 ILE A 3 -12.436 11.548 -6.023 1.00 0.00 C ATOM 49 CD1 ILE A 3 -11.557 11.108 -2.761 1.00 0.00 C ATOM 0 H ILE A 3 -11.957 13.811 -7.149 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.953 13.723 -4.999 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.205 12.928 -4.414 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.772 10.336 -4.589 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.838 11.651 -3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -13.155 10.925 -5.491 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -12.969 12.269 -6.642 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.810 10.919 -6.656 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -10.999 10.395 -2.153 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.615 12.063 -2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.564 10.727 -2.935 1.00 0.00 H new ATOM 61 N ALA A 4 -8.301 12.605 -6.497 1.00 0.00 N ATOM 62 CA ALA A 4 -7.298 11.845 -7.234 1.00 0.00 C ATOM 63 C ALA A 4 -6.427 11.026 -6.286 1.00 0.00 C ATOM 64 O ALA A 4 -5.984 11.521 -5.249 1.00 0.00 O ATOM 65 CB ALA A 4 -6.438 12.781 -8.069 1.00 0.00 C ATOM 0 H ALA A 4 -7.924 13.371 -5.939 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.815 11.154 -7.900 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.693 12.201 -8.614 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.068 13.320 -8.777 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.936 13.494 -7.415 1.00 0.00 H new ATOM 71 N THR A 5 -6.187 9.771 -6.650 1.00 0.00 N ATOM 72 CA THR A 5 -5.370 8.881 -5.833 1.00 0.00 C ATOM 73 C THR A 5 -3.963 8.756 -6.408 1.00 0.00 C ATOM 74 O THR A 5 -3.713 9.145 -7.549 1.00 0.00 O ATOM 75 CB THR A 5 -6.020 7.500 -5.740 1.00 0.00 C ATOM 76 OG1 THR A 5 -6.398 7.036 -7.023 1.00 0.00 O ATOM 77 CG2 THR A 5 -7.253 7.478 -4.862 1.00 0.00 C ATOM 0 H THR A 5 -6.546 9.347 -7.505 1.00 0.00 H new ATOM 0 HA THR A 5 -5.298 9.309 -4.833 1.00 0.00 H new ATOM 0 HB THR A 5 -5.264 6.854 -5.294 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.810 6.151 -6.942 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.665 6.469 -4.839 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.985 7.784 -3.851 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.998 8.165 -5.263 1.00 0.00 H new ATOM 85 N LEU A 6 -3.050 8.211 -5.613 1.00 0.00 N ATOM 86 CA LEU A 6 -1.668 8.035 -6.046 1.00 0.00 C ATOM 87 C LEU A 6 -1.451 6.634 -6.610 1.00 0.00 C ATOM 88 O LEU A 6 -1.614 5.639 -5.904 1.00 0.00 O ATOM 89 CB LEU A 6 -0.710 8.290 -4.880 1.00 0.00 C ATOM 90 CG LEU A 6 0.009 9.640 -4.918 1.00 0.00 C ATOM 91 CD1 LEU A 6 -0.929 10.758 -4.493 1.00 0.00 C ATOM 92 CD2 LEU A 6 1.242 9.610 -4.029 1.00 0.00 C ATOM 0 H LEU A 6 -3.241 7.883 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.463 8.758 -6.835 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.270 8.219 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.038 7.497 -4.864 1.00 0.00 H new ATOM 0 HG LEU A 6 0.327 9.832 -5.943 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.399 11.710 -4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.783 10.794 -5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.279 10.573 -3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.742 10.578 -4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.945 9.395 -3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.924 8.835 -4.379 1.00 0.00 H new ATOM 104 N LYS A 7 -1.084 6.565 -7.885 1.00 0.00 N ATOM 105 CA LYS A 7 -0.846 5.286 -8.544 1.00 0.00 C ATOM 106 C LYS A 7 0.624 5.125 -8.915 1.00 0.00 C ATOM 107 O LYS A 7 1.153 5.869 -9.740 1.00 0.00 O ATOM 108 CB LYS A 7 -1.713 5.167 -9.799 1.00 0.00 C ATOM 109 CG LYS A 7 -3.179 4.899 -9.503 1.00 0.00 C ATOM 110 CD LYS A 7 -4.064 5.296 -10.673 1.00 0.00 C ATOM 111 CE LYS A 7 -5.475 4.755 -10.511 1.00 0.00 C ATOM 112 NZ LYS A 7 -5.608 3.374 -11.048 1.00 0.00 N ATOM 0 H LYS A 7 -0.945 7.380 -8.483 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.114 4.494 -7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.630 6.088 -10.376 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.324 4.363 -10.424 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.319 3.841 -9.282 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.479 5.453 -8.614 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.097 6.382 -10.754 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.633 4.920 -11.601 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.747 4.761 -9.455 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.176 5.413 -11.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.585 3.043 -10.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.374 3.372 -12.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.958 2.740 -10.541 1.00 0.00 H new ATOM 126 N GLY A 8 1.278 4.143 -8.302 1.00 0.00 N ATOM 127 CA GLY A 8 2.680 3.895 -8.581 1.00 0.00 C ATOM 128 C GLY A 8 2.901 2.560 -9.265 1.00 0.00 C ATOM 129 O GLY A 8 2.890 1.515 -8.616 1.00 0.00 O ATOM 0 H GLY A 8 0.861 3.514 -7.616 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.070 4.694 -9.212 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.244 3.921 -7.649 1.00 0.00 H new ATOM 133 N ILE A 9 3.098 2.593 -10.579 1.00 0.00 N ATOM 134 CA ILE A 9 3.313 1.373 -11.347 1.00 0.00 C ATOM 135 C ILE A 9 4.770 0.925 -11.286 1.00 0.00 C ATOM 136 O ILE A 9 5.528 1.106 -12.240 1.00 0.00 O ATOM 137 CB ILE A 9 2.905 1.555 -12.822 1.00 0.00 C ATOM 138 CG1 ILE A 9 1.512 2.185 -12.916 1.00 0.00 C ATOM 139 CG2 ILE A 9 2.940 0.218 -13.549 1.00 0.00 C ATOM 140 CD1 ILE A 9 1.532 3.634 -13.352 1.00 0.00 C ATOM 0 H ILE A 9 3.113 3.449 -11.133 1.00 0.00 H new ATOM 0 HA ILE A 9 2.684 0.606 -10.895 1.00 0.00 H new ATOM 0 HB ILE A 9 3.618 2.226 -13.301 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.909 1.611 -13.619 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.023 2.113 -11.944 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.650 0.362 -14.590 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.949 -0.193 -13.507 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.247 -0.474 -13.071 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.512 4.015 -13.397 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.107 4.221 -12.636 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.991 3.711 -14.337 1.00 0.00 H new ATOM 152 N PHE A 10 5.153 0.328 -10.163 1.00 0.00 N ATOM 153 CA PHE A 10 6.516 -0.159 -9.982 1.00 0.00 C ATOM 154 C PHE A 10 6.744 -1.407 -10.829 1.00 0.00 C ATOM 155 O PHE A 10 5.971 -2.362 -10.757 1.00 0.00 O ATOM 156 CB PHE A 10 6.772 -0.476 -8.509 1.00 0.00 C ATOM 157 CG PHE A 10 7.044 0.738 -7.665 1.00 0.00 C ATOM 158 CD1 PHE A 10 7.878 1.747 -8.121 1.00 0.00 C ATOM 159 CD2 PHE A 10 6.463 0.869 -6.415 1.00 0.00 C ATOM 160 CE1 PHE A 10 8.127 2.863 -7.345 1.00 0.00 C ATOM 161 CE2 PHE A 10 6.708 1.983 -5.634 1.00 0.00 C ATOM 162 CZ PHE A 10 7.540 2.981 -6.100 1.00 0.00 C ATOM 0 H PHE A 10 4.539 0.169 -9.364 1.00 0.00 H new ATOM 0 HA PHE A 10 7.210 0.618 -10.302 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.907 -1.002 -8.105 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.621 -1.156 -8.436 1.00 0.00 H new ATOM 0 HD1 PHE A 10 8.339 1.660 -9.094 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.811 0.092 -6.046 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.780 3.642 -7.711 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.249 2.072 -4.660 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.732 3.853 -5.492 1.00 0.00 H new ATOM 172 N THR A 11 7.799 -1.395 -11.636 1.00 0.00 N ATOM 173 CA THR A 11 8.106 -2.532 -12.497 1.00 0.00 C ATOM 174 C THR A 11 9.600 -2.696 -12.697 1.00 0.00 C ATOM 175 O THR A 11 10.388 -1.781 -12.434 1.00 0.00 O ATOM 176 CB THR A 11 7.410 -2.374 -13.850 1.00 0.00 C ATOM 177 OG1 THR A 11 8.034 -1.361 -14.619 1.00 0.00 O ATOM 178 CG2 THR A 11 5.943 -2.022 -13.732 1.00 0.00 C ATOM 0 H THR A 11 8.453 -0.616 -11.712 1.00 0.00 H new ATOM 0 HA THR A 11 7.735 -3.430 -12.003 1.00 0.00 H new ATOM 0 HB THR A 11 7.495 -3.347 -14.334 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.576 -1.276 -15.481 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.511 -1.925 -14.728 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.423 -2.809 -13.186 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.837 -1.078 -13.197 1.00 0.00 H new ATOM 186 N LEU A 12 9.981 -3.883 -13.157 1.00 0.00 N ATOM 187 CA LEU A 12 11.376 -4.202 -13.393 1.00 0.00 C ATOM 188 C LEU A 12 12.205 -3.938 -12.143 1.00 0.00 C ATOM 189 O LEU A 12 11.808 -3.173 -11.265 1.00 0.00 O ATOM 190 CB LEU A 12 11.919 -3.376 -14.563 1.00 0.00 C ATOM 191 CG LEU A 12 11.759 -4.019 -15.942 1.00 0.00 C ATOM 192 CD1 LEU A 12 10.318 -4.450 -16.171 1.00 0.00 C ATOM 193 CD2 LEU A 12 12.209 -3.057 -17.033 1.00 0.00 C ATOM 0 H LEU A 12 9.335 -4.642 -13.374 1.00 0.00 H new ATOM 0 HA LEU A 12 11.448 -5.261 -13.642 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.415 -2.409 -14.570 1.00 0.00 H new ATOM 0 HB3 LEU A 12 12.978 -3.183 -14.390 1.00 0.00 H new ATOM 0 HG LEU A 12 12.390 -4.907 -15.982 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.227 -4.905 -17.157 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.030 -5.174 -15.409 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.664 -3.580 -16.110 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.089 -3.530 -18.008 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.604 -2.151 -16.992 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.257 -2.800 -16.882 1.00 0.00 H new ATOM 205 N LYS A 13 13.363 -4.562 -12.072 1.00 0.00 N ATOM 206 CA LYS A 13 14.249 -4.370 -10.932 1.00 0.00 C ATOM 207 C LYS A 13 14.567 -2.883 -10.761 1.00 0.00 C ATOM 208 O LYS A 13 14.973 -2.444 -9.686 1.00 0.00 O ATOM 209 CB LYS A 13 15.535 -5.180 -11.104 1.00 0.00 C ATOM 210 CG LYS A 13 15.483 -6.542 -10.423 1.00 0.00 C ATOM 211 CD LYS A 13 16.288 -6.556 -9.133 1.00 0.00 C ATOM 212 CE LYS A 13 15.551 -5.850 -8.007 1.00 0.00 C ATOM 213 NZ LYS A 13 15.155 -6.795 -6.927 1.00 0.00 N ATOM 0 H LYS A 13 13.715 -5.203 -12.783 1.00 0.00 H new ATOM 0 HA LYS A 13 13.744 -4.726 -10.034 1.00 0.00 H new ATOM 0 HB2 LYS A 13 15.729 -5.320 -12.167 1.00 0.00 H new ATOM 0 HB3 LYS A 13 16.372 -4.611 -10.700 1.00 0.00 H new ATOM 0 HG2 LYS A 13 14.447 -6.802 -10.208 1.00 0.00 H new ATOM 0 HG3 LYS A 13 15.869 -7.303 -11.101 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.495 -7.586 -8.844 1.00 0.00 H new ATOM 0 HD3 LYS A 13 17.250 -6.072 -9.299 1.00 0.00 H new ATOM 0 HE2 LYS A 13 16.186 -5.068 -7.591 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.662 -5.360 -8.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.185 -6.306 -6.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.190 -7.140 -7.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.813 -7.600 -6.912 1.00 0.00 H new ATOM 227 N ASP A 14 14.355 -2.112 -11.831 1.00 0.00 N ATOM 228 CA ASP A 14 14.592 -0.674 -11.807 1.00 0.00 C ATOM 229 C ASP A 14 13.337 0.079 -11.359 1.00 0.00 C ATOM 230 O ASP A 14 13.267 1.304 -11.464 1.00 0.00 O ATOM 231 CB ASP A 14 15.023 -0.185 -13.189 1.00 0.00 C ATOM 232 CG ASP A 14 14.043 -0.585 -14.275 1.00 0.00 C ATOM 233 OD1 ASP A 14 12.852 -0.229 -14.160 1.00 0.00 O ATOM 234 OD2 ASP A 14 14.467 -1.256 -15.239 1.00 0.00 O ATOM 0 H ASP A 14 14.018 -2.466 -12.726 1.00 0.00 H new ATOM 0 HA ASP A 14 15.390 -0.475 -11.091 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.121 0.901 -13.173 1.00 0.00 H new ATOM 0 HB3 ASP A 14 16.007 -0.590 -13.424 1.00 0.00 H new ATOM 239 N LEU A 15 12.346 -0.663 -10.855 1.00 0.00 N ATOM 240 CA LEU A 15 11.092 -0.077 -10.386 1.00 0.00 C ATOM 241 C LEU A 15 11.301 1.178 -9.524 1.00 0.00 C ATOM 242 O LEU A 15 10.470 2.085 -9.566 1.00 0.00 O ATOM 243 CB LEU A 15 10.268 -1.117 -9.609 1.00 0.00 C ATOM 244 CG LEU A 15 10.786 -1.467 -8.209 1.00 0.00 C ATOM 245 CD1 LEU A 15 9.628 -1.710 -7.254 1.00 0.00 C ATOM 246 CD2 LEU A 15 11.691 -2.689 -8.267 1.00 0.00 C ATOM 0 H LEU A 15 12.392 -1.678 -10.762 1.00 0.00 H new ATOM 0 HA LEU A 15 10.545 0.234 -11.276 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.247 -0.748 -9.516 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.224 -2.032 -10.199 1.00 0.00 H new ATOM 0 HG LEU A 15 11.366 -0.622 -7.837 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.017 -1.957 -6.266 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.016 -0.811 -7.189 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.020 -2.537 -7.622 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.050 -2.924 -7.265 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.131 -3.538 -8.660 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.541 -2.482 -8.918 1.00 0.00 H new ATOM 258 N PRO A 16 12.387 1.269 -8.720 1.00 0.00 N ATOM 259 CA PRO A 16 12.631 2.444 -7.867 1.00 0.00 C ATOM 260 C PRO A 16 12.975 3.695 -8.674 1.00 0.00 C ATOM 261 O PRO A 16 13.998 4.338 -8.431 1.00 0.00 O ATOM 262 CB PRO A 16 13.831 2.025 -7.003 1.00 0.00 C ATOM 263 CG PRO A 16 13.926 0.546 -7.159 1.00 0.00 C ATOM 264 CD PRO A 16 13.453 0.267 -8.550 1.00 0.00 C ATOM 0 HA PRO A 16 11.744 2.710 -7.291 1.00 0.00 H new ATOM 0 HB2 PRO A 16 14.746 2.516 -7.335 1.00 0.00 H new ATOM 0 HB3 PRO A 16 13.681 2.302 -5.960 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.949 0.200 -7.014 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.308 0.032 -6.423 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.249 0.391 -9.284 1.00 0.00 H new ATOM 0 HD3 PRO A 16 13.077 -0.750 -8.656 1.00 0.00 H new ATOM 272 N GLU A 17 12.114 4.033 -9.632 1.00 0.00 N ATOM 273 CA GLU A 17 12.323 5.203 -10.479 1.00 0.00 C ATOM 274 C GLU A 17 12.325 6.485 -9.656 1.00 0.00 C ATOM 275 O GLU A 17 11.360 7.251 -9.667 1.00 0.00 O ATOM 276 CB GLU A 17 11.243 5.272 -11.559 1.00 0.00 C ATOM 277 CG GLU A 17 11.800 5.345 -12.972 1.00 0.00 C ATOM 278 CD GLU A 17 12.326 6.723 -13.321 1.00 0.00 C ATOM 279 OE1 GLU A 17 11.931 7.698 -12.648 1.00 0.00 O ATOM 280 OE2 GLU A 17 13.135 6.828 -14.268 1.00 0.00 O ATOM 0 H GLU A 17 11.263 3.511 -9.841 1.00 0.00 H new ATOM 0 HA GLU A 17 13.299 5.105 -10.955 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.601 4.395 -11.475 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.616 6.145 -11.379 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.603 4.616 -13.080 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.020 5.068 -13.681 1.00 0.00 H new ATOM 287 N GLU A 18 13.422 6.708 -8.943 1.00 0.00 N ATOM 288 CA GLU A 18 13.579 7.891 -8.104 1.00 0.00 C ATOM 289 C GLU A 18 14.745 7.714 -7.145 1.00 0.00 C ATOM 290 O GLU A 18 15.670 8.527 -7.107 1.00 0.00 O ATOM 291 CB GLU A 18 12.295 8.173 -7.313 1.00 0.00 C ATOM 292 CG GLU A 18 11.487 9.340 -7.861 1.00 0.00 C ATOM 293 CD GLU A 18 10.995 10.271 -6.770 1.00 0.00 C ATOM 294 OE1 GLU A 18 11.793 11.109 -6.299 1.00 0.00 O ATOM 295 OE2 GLU A 18 9.812 10.163 -6.387 1.00 0.00 O ATOM 0 H GLU A 18 14.224 6.078 -8.929 1.00 0.00 H new ATOM 0 HA GLU A 18 13.782 8.740 -8.757 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.673 7.278 -7.315 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.555 8.378 -6.275 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.100 9.903 -8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.633 8.956 -8.418 1.00 0.00 H new ATOM 302 N PHE A 19 14.686 6.643 -6.377 1.00 0.00 N ATOM 303 CA PHE A 19 15.732 6.333 -5.407 1.00 0.00 C ATOM 304 C PHE A 19 15.537 4.941 -4.814 1.00 0.00 C ATOM 305 O PHE A 19 16.317 4.026 -5.078 1.00 0.00 O ATOM 306 CB PHE A 19 15.749 7.380 -4.291 1.00 0.00 C ATOM 307 CG PHE A 19 17.115 7.616 -3.712 1.00 0.00 C ATOM 308 CD1 PHE A 19 18.214 7.781 -4.539 1.00 0.00 C ATOM 309 CD2 PHE A 19 17.300 7.671 -2.340 1.00 0.00 C ATOM 310 CE1 PHE A 19 19.472 7.997 -4.009 1.00 0.00 C ATOM 311 CE2 PHE A 19 18.555 7.887 -1.804 1.00 0.00 C ATOM 312 CZ PHE A 19 19.643 8.050 -2.640 1.00 0.00 C ATOM 0 H PHE A 19 13.923 5.967 -6.403 1.00 0.00 H new ATOM 0 HA PHE A 19 16.689 6.351 -5.928 1.00 0.00 H new ATOM 0 HB2 PHE A 19 15.361 8.321 -4.680 1.00 0.00 H new ATOM 0 HB3 PHE A 19 15.076 7.062 -3.495 1.00 0.00 H new ATOM 0 HD1 PHE A 19 18.086 7.740 -5.611 1.00 0.00 H new ATOM 0 HD2 PHE A 19 16.453 7.544 -1.682 1.00 0.00 H new ATOM 0 HE1 PHE A 19 20.320 8.124 -4.665 1.00 0.00 H new ATOM 0 HE2 PHE A 19 18.685 7.928 -0.733 1.00 0.00 H new ATOM 0 HZ PHE A 19 20.625 8.219 -2.223 1.00 0.00 H new ATOM 322 N ARG A 20 14.491 4.791 -4.005 1.00 0.00 N ATOM 323 CA ARG A 20 14.192 3.516 -3.364 1.00 0.00 C ATOM 324 C ARG A 20 12.865 3.587 -2.604 1.00 0.00 C ATOM 325 O ARG A 20 12.801 4.148 -1.510 1.00 0.00 O ATOM 326 CB ARG A 20 15.321 3.133 -2.405 1.00 0.00 C ATOM 327 CG ARG A 20 15.093 1.813 -1.687 1.00 0.00 C ATOM 328 CD ARG A 20 15.954 1.701 -0.439 1.00 0.00 C ATOM 329 NE ARG A 20 17.088 0.799 -0.633 1.00 0.00 N ATOM 330 CZ ARG A 20 18.241 1.164 -1.191 1.00 0.00 C ATOM 331 NH1 ARG A 20 18.419 2.409 -1.614 1.00 0.00 N ATOM 332 NH2 ARG A 20 19.220 0.278 -1.326 1.00 0.00 N ATOM 0 H ARG A 20 13.836 5.539 -3.778 1.00 0.00 H new ATOM 0 HA ARG A 20 14.106 2.755 -4.140 1.00 0.00 H new ATOM 0 HB2 ARG A 20 16.256 3.076 -2.963 1.00 0.00 H new ATOM 0 HB3 ARG A 20 15.440 3.923 -1.664 1.00 0.00 H new ATOM 0 HG2 ARG A 20 14.042 1.723 -1.414 1.00 0.00 H new ATOM 0 HG3 ARG A 20 15.319 0.987 -2.361 1.00 0.00 H new ATOM 0 HD2 ARG A 20 16.321 2.689 -0.162 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.344 1.343 0.391 1.00 0.00 H new ATOM 0 HE ARG A 20 16.990 -0.168 -0.322 1.00 0.00 H new ATOM 0 HH11 ARG A 20 17.670 3.094 -1.513 1.00 0.00 H new ATOM 0 HH12 ARG A 20 19.305 2.681 -2.040 1.00 0.00 H new ATOM 0 HH21 ARG A 20 19.089 -0.680 -1.003 1.00 0.00 H new ATOM 0 HH22 ARG A 20 20.104 0.556 -1.753 1.00 0.00 H new ATOM 346 N PRO A 21 11.786 3.020 -3.173 1.00 0.00 N ATOM 347 CA PRO A 21 10.464 3.030 -2.538 1.00 0.00 C ATOM 348 C PRO A 21 10.391 2.108 -1.326 1.00 0.00 C ATOM 349 O PRO A 21 11.415 1.648 -0.821 1.00 0.00 O ATOM 350 CB PRO A 21 9.534 2.532 -3.645 1.00 0.00 C ATOM 351 CG PRO A 21 10.402 1.700 -4.524 1.00 0.00 C ATOM 352 CD PRO A 21 11.766 2.330 -4.477 1.00 0.00 C ATOM 0 HA PRO A 21 10.205 4.018 -2.157 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.709 1.948 -3.236 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.094 3.363 -4.196 1.00 0.00 H new ATOM 0 HG2 PRO A 21 10.437 0.668 -4.174 1.00 0.00 H new ATOM 0 HG3 PRO A 21 10.017 1.678 -5.544 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.556 1.582 -4.547 1.00 0.00 H new ATOM 0 HD3 PRO A 21 11.914 3.027 -5.302 1.00 0.00 H new ATOM 360 N PHE A 22 9.172 1.844 -0.864 1.00 0.00 N ATOM 361 CA PHE A 22 8.961 0.979 0.292 1.00 0.00 C ATOM 362 C PHE A 22 9.013 -0.492 -0.109 1.00 0.00 C ATOM 363 O PHE A 22 9.625 -1.309 0.575 1.00 0.00 O ATOM 364 CB PHE A 22 7.613 1.284 0.956 1.00 0.00 C ATOM 365 CG PHE A 22 7.155 2.707 0.786 1.00 0.00 C ATOM 366 CD1 PHE A 22 7.729 3.729 1.527 1.00 0.00 C ATOM 367 CD2 PHE A 22 6.149 3.021 -0.114 1.00 0.00 C ATOM 368 CE1 PHE A 22 7.307 5.036 1.373 1.00 0.00 C ATOM 369 CE2 PHE A 22 5.724 4.326 -0.272 1.00 0.00 C ATOM 370 CZ PHE A 22 6.303 5.335 0.471 1.00 0.00 C ATOM 0 H PHE A 22 8.315 2.217 -1.273 1.00 0.00 H new ATOM 0 HA PHE A 22 9.763 1.176 1.004 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.856 0.618 0.542 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.685 1.061 2.021 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.515 3.501 2.232 1.00 0.00 H new ATOM 0 HD2 PHE A 22 5.692 2.236 -0.699 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.761 5.823 1.957 1.00 0.00 H new ATOM 0 HE2 PHE A 22 4.939 4.557 -0.977 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.972 6.356 0.348 1.00 0.00 H new ATOM 380 N VAL A 23 8.365 -0.824 -1.220 1.00 0.00 N ATOM 381 CA VAL A 23 8.335 -2.200 -1.708 1.00 0.00 C ATOM 382 C VAL A 23 9.742 -2.761 -1.913 1.00 0.00 C ATOM 383 O VAL A 23 9.925 -3.976 -1.995 1.00 0.00 O ATOM 384 CB VAL A 23 7.550 -2.307 -3.031 1.00 0.00 C ATOM 385 CG1 VAL A 23 8.205 -1.463 -4.116 1.00 0.00 C ATOM 386 CG2 VAL A 23 7.435 -3.760 -3.471 1.00 0.00 C ATOM 0 H VAL A 23 7.853 -0.160 -1.801 1.00 0.00 H new ATOM 0 HA VAL A 23 7.832 -2.789 -0.942 1.00 0.00 H new ATOM 0 HB VAL A 23 6.544 -1.922 -2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.635 -1.553 -5.041 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.225 -0.419 -3.802 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.224 -1.812 -4.283 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.878 -3.814 -4.406 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.432 -4.176 -3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.913 -4.332 -2.704 1.00 0.00 H new ATOM 396 N ASP A 24 10.732 -1.876 -1.999 1.00 0.00 N ATOM 397 CA ASP A 24 12.119 -2.289 -2.200 1.00 0.00 C ATOM 398 C ASP A 24 12.507 -3.439 -1.273 1.00 0.00 C ATOM 399 O ASP A 24 12.998 -4.472 -1.728 1.00 0.00 O ATOM 400 CB ASP A 24 13.061 -1.105 -1.980 1.00 0.00 C ATOM 401 CG ASP A 24 14.341 -1.228 -2.782 1.00 0.00 C ATOM 402 OD1 ASP A 24 15.209 -2.037 -2.393 1.00 0.00 O ATOM 403 OD2 ASP A 24 14.474 -0.516 -3.800 1.00 0.00 O ATOM 0 H ASP A 24 10.599 -0.867 -1.933 1.00 0.00 H new ATOM 0 HA ASP A 24 12.211 -2.641 -3.228 1.00 0.00 H new ATOM 0 HB2 ASP A 24 12.550 -0.182 -2.255 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.305 -1.031 -0.920 1.00 0.00 H new ATOM 408 N TYR A 25 12.293 -3.258 0.028 1.00 0.00 N ATOM 409 CA TYR A 25 12.632 -4.294 0.999 1.00 0.00 C ATOM 410 C TYR A 25 11.963 -5.614 0.641 1.00 0.00 C ATOM 411 O TYR A 25 12.486 -6.686 0.943 1.00 0.00 O ATOM 412 CB TYR A 25 12.245 -3.863 2.419 1.00 0.00 C ATOM 413 CG TYR A 25 10.753 -3.748 2.656 1.00 0.00 C ATOM 414 CD1 TYR A 25 9.935 -4.873 2.656 1.00 0.00 C ATOM 415 CD2 TYR A 25 10.165 -2.512 2.888 1.00 0.00 C ATOM 416 CE1 TYR A 25 8.575 -4.766 2.875 1.00 0.00 C ATOM 417 CE2 TYR A 25 8.805 -2.398 3.110 1.00 0.00 C ATOM 418 CZ TYR A 25 8.016 -3.527 3.103 1.00 0.00 C ATOM 419 OH TYR A 25 6.661 -3.417 3.322 1.00 0.00 O ATOM 0 H TYR A 25 11.890 -2.412 0.431 1.00 0.00 H new ATOM 0 HA TYR A 25 13.712 -4.439 0.969 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.659 -4.580 3.128 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.709 -2.900 2.632 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.370 -5.846 2.482 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.780 -1.624 2.895 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.953 -5.649 2.868 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.364 -1.429 3.288 1.00 0.00 H new ATOM 0 HH TYR A 25 6.428 -2.476 3.467 1.00 0.00 H new ATOM 429 N LYS A 26 10.811 -5.534 -0.014 1.00 0.00 N ATOM 430 CA LYS A 26 10.089 -6.731 -0.421 1.00 0.00 C ATOM 431 C LYS A 26 10.811 -7.425 -1.572 1.00 0.00 C ATOM 432 O LYS A 26 10.636 -8.623 -1.793 1.00 0.00 O ATOM 433 CB LYS A 26 8.658 -6.383 -0.834 1.00 0.00 C ATOM 434 CG LYS A 26 7.778 -7.603 -1.058 1.00 0.00 C ATOM 435 CD LYS A 26 6.328 -7.323 -0.695 1.00 0.00 C ATOM 436 CE LYS A 26 5.726 -6.252 -1.591 1.00 0.00 C ATOM 437 NZ LYS A 26 5.694 -4.922 -0.921 1.00 0.00 N ATOM 0 H LYS A 26 10.359 -4.657 -0.273 1.00 0.00 H new ATOM 0 HA LYS A 26 10.051 -7.411 0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.208 -5.757 -0.064 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.686 -5.792 -1.749 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.839 -7.910 -2.102 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.149 -8.435 -0.459 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.746 -8.241 -0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.267 -7.005 0.346 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.305 -6.181 -2.512 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.714 -6.541 -1.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.231 -4.230 -1.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.163 -4.995 -0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.666 -4.611 -0.721 1.00 0.00 H new ATOM 451 N ALA A 27 11.628 -6.667 -2.300 1.00 0.00 N ATOM 452 CA ALA A 27 12.378 -7.216 -3.419 1.00 0.00 C ATOM 453 C ALA A 27 13.551 -8.057 -2.929 1.00 0.00 C ATOM 454 O ALA A 27 13.995 -8.978 -3.616 1.00 0.00 O ATOM 455 CB ALA A 27 12.872 -6.099 -4.329 1.00 0.00 C ATOM 0 H ALA A 27 11.785 -5.673 -2.133 1.00 0.00 H new ATOM 0 HA ALA A 27 11.710 -7.862 -3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.431 -6.528 -5.161 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.019 -5.540 -4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.520 -5.429 -3.764 1.00 0.00 H new ATOM 461 N GLY A 28 14.054 -7.737 -1.737 1.00 0.00 N ATOM 462 CA GLY A 28 15.173 -8.482 -1.190 1.00 0.00 C ATOM 463 C GLY A 28 15.065 -8.698 0.308 1.00 0.00 C ATOM 464 O GLY A 28 16.078 -8.736 1.007 1.00 0.00 O ATOM 0 H GLY A 28 13.708 -6.981 -1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.236 -9.450 -1.688 1.00 0.00 H new ATOM 0 HA3 GLY A 28 16.099 -7.950 -1.409 1.00 0.00 H new ATOM 468 N LEU A 29 13.839 -8.838 0.806 1.00 0.00 N ATOM 469 CA LEU A 29 13.619 -9.049 2.235 1.00 0.00 C ATOM 470 C LEU A 29 14.395 -10.262 2.744 1.00 0.00 C ATOM 471 O LEU A 29 14.693 -10.363 3.934 1.00 0.00 O ATOM 472 CB LEU A 29 12.119 -9.192 2.551 1.00 0.00 C ATOM 473 CG LEU A 29 11.421 -10.455 2.022 1.00 0.00 C ATOM 474 CD1 LEU A 29 11.621 -10.608 0.523 1.00 0.00 C ATOM 475 CD2 LEU A 29 11.908 -11.695 2.757 1.00 0.00 C ATOM 0 H LEU A 29 12.987 -8.809 0.246 1.00 0.00 H new ATOM 0 HA LEU A 29 13.993 -8.168 2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.995 -9.162 3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.601 -8.322 2.147 1.00 0.00 H new ATOM 0 HG LEU A 29 10.353 -10.344 2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 29 11.116 -11.510 0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.205 -9.741 0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.686 -10.683 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 29 11.399 -12.575 2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 29 12.983 -11.804 2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.692 -11.596 3.821 1.00 0.00 H new ATOM 487 N GLU A 30 14.723 -11.169 1.834 1.00 0.00 N ATOM 488 CA GLU A 30 15.473 -12.376 2.175 1.00 0.00 C ATOM 489 C GLU A 30 15.662 -13.255 0.945 1.00 0.00 C ATOM 490 O GLU A 30 15.511 -14.476 1.009 1.00 0.00 O ATOM 491 CB GLU A 30 14.757 -13.168 3.273 1.00 0.00 C ATOM 492 CG GLU A 30 15.577 -14.326 3.819 1.00 0.00 C ATOM 493 CD GLU A 30 14.855 -15.656 3.711 1.00 0.00 C ATOM 494 OE1 GLU A 30 14.310 -15.948 2.625 1.00 0.00 O ATOM 495 OE2 GLU A 30 14.833 -16.404 4.711 1.00 0.00 O ATOM 0 H GLU A 30 14.481 -11.093 0.846 1.00 0.00 H new ATOM 0 HA GLU A 30 16.452 -12.070 2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 30 14.506 -12.493 4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.817 -13.553 2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 30 16.521 -14.385 3.277 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.820 -14.133 4.864 1.00 0.00 H new ATOM 502 N LYS A 31 15.988 -12.625 -0.177 1.00 0.00 N ATOM 503 CA LYS A 31 16.193 -13.344 -1.428 1.00 0.00 C ATOM 504 C LYS A 31 14.954 -14.154 -1.790 1.00 0.00 C ATOM 505 O LYS A 31 15.048 -15.304 -2.218 1.00 0.00 O ATOM 506 CB LYS A 31 17.412 -14.263 -1.325 1.00 0.00 C ATOM 507 CG LYS A 31 17.876 -14.810 -2.666 1.00 0.00 C ATOM 508 CD LYS A 31 17.547 -16.287 -2.813 1.00 0.00 C ATOM 509 CE LYS A 31 18.655 -17.037 -3.534 1.00 0.00 C ATOM 510 NZ LYS A 31 18.733 -18.460 -3.105 1.00 0.00 N ATOM 0 H LYS A 31 16.116 -11.615 -0.246 1.00 0.00 H new ATOM 0 HA LYS A 31 16.373 -12.613 -2.216 1.00 0.00 H new ATOM 0 HB2 LYS A 31 18.232 -13.714 -0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 31 17.173 -15.097 -0.665 1.00 0.00 H new ATOM 0 HG2 LYS A 31 17.402 -14.249 -3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 31 18.952 -14.665 -2.766 1.00 0.00 H new ATOM 0 HD2 LYS A 31 17.391 -16.726 -1.827 1.00 0.00 H new ATOM 0 HD3 LYS A 31 16.613 -16.399 -3.363 1.00 0.00 H new ATOM 0 HE2 LYS A 31 18.484 -16.991 -4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 31 19.610 -16.547 -3.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 19.501 -18.936 -3.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 18.922 -18.505 -2.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 17.831 -18.935 -3.312 1.00 0.00 H new ATOM 524 N LYS A 32 13.792 -13.539 -1.608 1.00 0.00 N ATOM 525 CA LYS A 32 12.524 -14.193 -1.908 1.00 0.00 C ATOM 526 C LYS A 32 12.273 -14.230 -3.411 1.00 0.00 C ATOM 527 O LYS A 32 12.234 -15.300 -4.018 1.00 0.00 O ATOM 528 CB LYS A 32 11.374 -13.468 -1.206 1.00 0.00 C ATOM 529 CG LYS A 32 10.013 -14.093 -1.461 1.00 0.00 C ATOM 530 CD LYS A 32 8.891 -13.089 -1.250 1.00 0.00 C ATOM 531 CE LYS A 32 7.670 -13.742 -0.622 1.00 0.00 C ATOM 532 NZ LYS A 32 6.576 -13.945 -1.612 1.00 0.00 N ATOM 0 H LYS A 32 13.701 -12.587 -1.254 1.00 0.00 H new ATOM 0 HA LYS A 32 12.577 -15.218 -1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.564 -13.457 -0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.355 -12.430 -1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.973 -14.476 -2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.871 -14.944 -0.795 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.241 -12.279 -0.610 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.615 -12.643 -2.206 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.953 -14.703 -0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.307 -13.121 0.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.762 -14.392 -1.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.287 -13.026 -2.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.913 -14.559 -2.381 1.00 0.00 H new ATOM 546 N LYS A 33 12.098 -13.054 -4.004 1.00 0.00 N ATOM 547 CA LYS A 33 11.846 -12.955 -5.435 1.00 0.00 C ATOM 548 C LYS A 33 12.442 -11.673 -6.010 1.00 0.00 C ATOM 549 O LYS A 33 12.402 -10.619 -5.377 1.00 0.00 O ATOM 550 CB LYS A 33 10.343 -13.000 -5.714 1.00 0.00 C ATOM 551 CG LYS A 33 9.525 -12.098 -4.802 1.00 0.00 C ATOM 552 CD LYS A 33 9.680 -10.634 -5.182 1.00 0.00 C ATOM 553 CE LYS A 33 8.362 -9.884 -5.070 1.00 0.00 C ATOM 554 NZ LYS A 33 8.552 -8.411 -5.172 1.00 0.00 N ATOM 0 H LYS A 33 12.126 -12.159 -3.516 1.00 0.00 H new ATOM 0 HA LYS A 33 12.326 -13.805 -5.920 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.166 -12.711 -6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.993 -14.026 -5.605 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.474 -12.380 -4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.840 -12.242 -3.768 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.422 -10.166 -4.535 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.056 -10.560 -6.203 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.686 -10.218 -5.857 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.887 -10.124 -4.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.648 -7.931 -4.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.255 -8.102 -4.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.886 -8.169 -6.127 1.00 0.00 H new ATOM 568 N LEU A 34 12.989 -11.772 -7.217 1.00 0.00 N ATOM 569 CA LEU A 34 13.584 -10.620 -7.883 1.00 0.00 C ATOM 570 C LEU A 34 12.628 -10.063 -8.929 1.00 0.00 C ATOM 571 O LEU A 34 11.683 -10.739 -9.336 1.00 0.00 O ATOM 572 CB LEU A 34 14.910 -11.013 -8.538 1.00 0.00 C ATOM 573 CG LEU A 34 16.041 -11.340 -7.563 1.00 0.00 C ATOM 574 CD1 LEU A 34 16.349 -10.141 -6.681 1.00 0.00 C ATOM 575 CD2 LEU A 34 15.677 -12.550 -6.715 1.00 0.00 C ATOM 0 H LEU A 34 13.032 -12.638 -7.754 1.00 0.00 H new ATOM 0 HA LEU A 34 13.776 -9.848 -7.138 1.00 0.00 H new ATOM 0 HB2 LEU A 34 14.739 -11.880 -9.177 1.00 0.00 H new ATOM 0 HB3 LEU A 34 15.233 -10.198 -9.186 1.00 0.00 H new ATOM 0 HG LEU A 34 16.935 -11.579 -8.139 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.157 -10.393 -5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 34 16.652 -9.299 -7.304 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.460 -9.870 -6.112 1.00 0.00 H new ATOM 0 HD21 LEU A 34 16.492 -12.770 -6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 34 14.770 -12.338 -6.148 1.00 0.00 H new ATOM 0 HD23 LEU A 34 15.507 -13.410 -7.362 1.00 0.00 H new ATOM 587 N SER A 35 12.868 -8.831 -9.362 1.00 0.00 N ATOM 588 CA SER A 35 12.015 -8.208 -10.358 1.00 0.00 C ATOM 589 C SER A 35 12.484 -8.562 -11.769 1.00 0.00 C ATOM 590 O SER A 35 12.105 -9.605 -12.297 1.00 0.00 O ATOM 591 CB SER A 35 11.962 -6.689 -10.155 1.00 0.00 C ATOM 592 OG SER A 35 10.744 -6.301 -9.542 1.00 0.00 O ATOM 0 H SER A 35 13.642 -8.250 -9.040 1.00 0.00 H new ATOM 0 HA SER A 35 11.004 -8.596 -10.235 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.802 -6.372 -9.537 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.066 -6.186 -11.116 1.00 0.00 H new ATOM 0 HG SER A 35 10.504 -5.397 -9.835 1.00 0.00 H new ATOM 598 N ASP A 36 13.304 -7.703 -12.377 1.00 0.00 N ATOM 599 CA ASP A 36 13.799 -7.951 -13.728 1.00 0.00 C ATOM 600 C ASP A 36 12.637 -7.996 -14.712 1.00 0.00 C ATOM 601 O ASP A 36 12.445 -7.079 -15.509 1.00 0.00 O ATOM 602 CB ASP A 36 14.586 -9.264 -13.776 1.00 0.00 C ATOM 603 CG ASP A 36 15.873 -9.138 -14.568 1.00 0.00 C ATOM 604 OD1 ASP A 36 16.409 -8.014 -14.654 1.00 0.00 O ATOM 605 OD2 ASP A 36 16.344 -10.164 -15.102 1.00 0.00 O ATOM 0 H ASP A 36 13.637 -6.835 -11.957 1.00 0.00 H new ATOM 0 HA ASP A 36 14.467 -7.137 -14.010 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.818 -9.583 -12.760 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.964 -10.041 -14.220 1.00 0.00 H new ATOM 610 N ASP A 37 11.852 -9.063 -14.631 1.00 0.00 N ATOM 611 CA ASP A 37 10.688 -9.232 -15.488 1.00 0.00 C ATOM 612 C ASP A 37 9.404 -9.208 -14.657 1.00 0.00 C ATOM 613 O ASP A 37 8.308 -9.392 -15.186 1.00 0.00 O ATOM 614 CB ASP A 37 10.784 -10.548 -16.263 1.00 0.00 C ATOM 615 CG ASP A 37 9.628 -10.738 -17.225 1.00 0.00 C ATOM 616 OD1 ASP A 37 9.645 -10.113 -18.306 1.00 0.00 O ATOM 617 OD2 ASP A 37 8.705 -11.513 -16.899 1.00 0.00 O ATOM 0 H ASP A 37 12.003 -9.829 -13.975 1.00 0.00 H new ATOM 0 HA ASP A 37 10.662 -8.406 -16.198 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.722 -10.572 -16.817 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.808 -11.380 -15.559 1.00 0.00 H new ATOM 622 N ASP A 38 9.550 -8.981 -13.348 1.00 0.00 N ATOM 623 CA ASP A 38 8.408 -8.935 -12.443 1.00 0.00 C ATOM 624 C ASP A 38 7.731 -7.568 -12.489 1.00 0.00 C ATOM 625 O ASP A 38 8.081 -6.719 -13.309 1.00 0.00 O ATOM 626 CB ASP A 38 8.865 -9.247 -11.018 1.00 0.00 C ATOM 627 CG ASP A 38 7.827 -10.021 -10.229 1.00 0.00 C ATOM 628 OD1 ASP A 38 6.754 -9.449 -9.940 1.00 0.00 O ATOM 629 OD2 ASP A 38 8.085 -11.197 -9.903 1.00 0.00 O ATOM 0 H ASP A 38 10.451 -8.827 -12.895 1.00 0.00 H new ATOM 0 HA ASP A 38 7.683 -9.684 -12.762 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.791 -9.821 -11.055 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.089 -8.315 -10.500 1.00 0.00 H new ATOM 634 N GLU A 39 6.762 -7.360 -11.602 1.00 0.00 N ATOM 635 CA GLU A 39 6.039 -6.095 -11.544 1.00 0.00 C ATOM 636 C GLU A 39 5.358 -5.913 -10.190 1.00 0.00 C ATOM 637 O GLU A 39 5.019 -6.886 -9.518 1.00 0.00 O ATOM 638 CB GLU A 39 4.998 -6.027 -12.663 1.00 0.00 C ATOM 639 CG GLU A 39 5.535 -5.441 -13.958 1.00 0.00 C ATOM 640 CD GLU A 39 4.435 -5.097 -14.942 1.00 0.00 C ATOM 641 OE1 GLU A 39 3.599 -4.227 -14.618 1.00 0.00 O ATOM 642 OE2 GLU A 39 4.410 -5.695 -16.038 1.00 0.00 O ATOM 0 H GLU A 39 6.460 -8.051 -10.915 1.00 0.00 H new ATOM 0 HA GLU A 39 6.761 -5.289 -11.677 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.620 -7.031 -12.857 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.153 -5.427 -12.326 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.112 -4.543 -13.735 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.220 -6.153 -14.418 1.00 0.00 H new ATOM 649 N ILE A 40 5.160 -4.658 -9.801 1.00 0.00 N ATOM 650 CA ILE A 40 4.516 -4.341 -8.531 1.00 0.00 C ATOM 651 C ILE A 40 3.496 -3.221 -8.703 1.00 0.00 C ATOM 652 O ILE A 40 3.785 -2.194 -9.318 1.00 0.00 O ATOM 653 CB ILE A 40 5.549 -3.922 -7.467 1.00 0.00 C ATOM 654 CG1 ILE A 40 6.684 -4.945 -7.392 1.00 0.00 C ATOM 655 CG2 ILE A 40 4.878 -3.766 -6.110 1.00 0.00 C ATOM 656 CD1 ILE A 40 6.240 -6.307 -6.904 1.00 0.00 C ATOM 0 H ILE A 40 5.437 -3.843 -10.348 1.00 0.00 H new ATOM 0 HA ILE A 40 4.009 -5.245 -8.195 1.00 0.00 H new ATOM 0 HB ILE A 40 5.973 -2.960 -7.754 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.133 -5.051 -8.380 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.461 -4.566 -6.728 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.620 -3.470 -5.369 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.103 -3.002 -6.173 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.429 -4.714 -5.815 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.097 -6.981 -6.876 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.818 -6.215 -5.903 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.485 -6.708 -7.581 1.00 0.00 H new ATOM 668 N ALA A 41 2.299 -3.426 -8.160 1.00 0.00 N ATOM 669 CA ALA A 41 1.237 -2.432 -8.260 1.00 0.00 C ATOM 670 C ALA A 41 0.815 -1.926 -6.884 1.00 0.00 C ATOM 671 O ALA A 41 0.290 -2.683 -6.067 1.00 0.00 O ATOM 672 CB ALA A 41 0.041 -3.011 -9.000 1.00 0.00 C ATOM 0 H ALA A 41 2.042 -4.270 -7.648 1.00 0.00 H new ATOM 0 HA ALA A 41 1.626 -1.583 -8.822 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.744 -2.258 -9.067 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.344 -3.310 -10.003 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.335 -3.880 -8.460 1.00 0.00 H new ATOM 678 N ILE A 42 1.043 -0.640 -6.642 1.00 0.00 N ATOM 679 CA ILE A 42 0.682 -0.021 -5.371 1.00 0.00 C ATOM 680 C ILE A 42 -0.057 1.292 -5.606 1.00 0.00 C ATOM 681 O ILE A 42 0.321 2.081 -6.472 1.00 0.00 O ATOM 682 CB ILE A 42 1.928 0.243 -4.498 1.00 0.00 C ATOM 683 CG1 ILE A 42 2.686 -1.064 -4.241 1.00 0.00 C ATOM 684 CG2 ILE A 42 1.529 0.895 -3.180 1.00 0.00 C ATOM 685 CD1 ILE A 42 4.170 -0.968 -4.523 1.00 0.00 C ATOM 0 H ILE A 42 1.477 -0.004 -7.311 1.00 0.00 H new ATOM 0 HA ILE A 42 0.029 -0.717 -4.844 1.00 0.00 H new ATOM 0 HB ILE A 42 2.587 0.926 -5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.540 -1.361 -3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.257 -1.851 -4.861 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.420 1.074 -2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.030 1.843 -3.380 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.851 0.235 -2.638 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.642 -1.929 -4.319 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.325 -0.702 -5.569 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.613 -0.204 -3.884 1.00 0.00 H new ATOM 697 N ILE A 43 -1.120 1.520 -4.839 1.00 0.00 N ATOM 698 CA ILE A 43 -1.910 2.737 -4.979 1.00 0.00 C ATOM 699 C ILE A 43 -2.334 3.290 -3.623 1.00 0.00 C ATOM 700 O ILE A 43 -2.703 2.537 -2.722 1.00 0.00 O ATOM 701 CB ILE A 43 -3.168 2.494 -5.835 1.00 0.00 C ATOM 702 CG1 ILE A 43 -2.803 1.741 -7.117 1.00 0.00 C ATOM 703 CG2 ILE A 43 -3.852 3.813 -6.163 1.00 0.00 C ATOM 704 CD1 ILE A 43 -3.043 0.250 -7.032 1.00 0.00 C ATOM 0 H ILE A 43 -1.452 0.880 -4.117 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.270 3.466 -5.477 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.864 1.881 -5.263 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.384 2.147 -7.945 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.752 1.919 -7.347 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.738 3.623 -6.768 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.144 4.311 -5.239 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.164 4.451 -6.718 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.762 -0.218 -7.976 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.442 -0.170 -6.226 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.098 0.062 -6.834 1.00 0.00 H new ATOM 716 N SER A 44 -2.282 4.611 -3.490 1.00 0.00 N ATOM 717 CA SER A 44 -2.666 5.271 -2.248 1.00 0.00 C ATOM 718 C SER A 44 -4.131 5.694 -2.293 1.00 0.00 C ATOM 719 O SER A 44 -4.580 6.306 -3.263 1.00 0.00 O ATOM 720 CB SER A 44 -1.778 6.492 -1.998 1.00 0.00 C ATOM 721 OG SER A 44 -1.486 6.636 -0.619 1.00 0.00 O ATOM 0 H SER A 44 -1.977 5.246 -4.228 1.00 0.00 H new ATOM 0 HA SER A 44 -2.533 4.562 -1.431 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.850 6.392 -2.561 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.277 7.390 -2.363 1.00 0.00 H new ATOM 0 HG SER A 44 -0.689 7.196 -0.510 1.00 0.00 H new ATOM 727 N ILE A 45 -4.872 5.362 -1.242 1.00 0.00 N ATOM 728 CA ILE A 45 -6.288 5.705 -1.167 1.00 0.00 C ATOM 729 C ILE A 45 -6.487 7.099 -0.583 1.00 0.00 C ATOM 730 O ILE A 45 -6.949 8.011 -1.269 1.00 0.00 O ATOM 731 CB ILE A 45 -7.075 4.687 -0.314 1.00 0.00 C ATOM 732 CG1 ILE A 45 -6.495 3.279 -0.474 1.00 0.00 C ATOM 733 CG2 ILE A 45 -8.547 4.703 -0.699 1.00 0.00 C ATOM 734 CD1 ILE A 45 -6.299 2.863 -1.916 1.00 0.00 C ATOM 0 H ILE A 45 -4.517 4.856 -0.431 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.669 5.682 -2.188 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.984 4.974 0.734 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.537 3.229 0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.158 2.565 0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.090 3.981 -0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.956 5.699 -0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.651 4.441 -1.752 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.885 1.855 -1.951 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.258 2.879 -2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.612 3.554 -2.404 1.00 0.00 H new ATOM 746 N LYS A 46 -6.138 7.256 0.689 1.00 0.00 N ATOM 747 CA LYS A 46 -6.280 8.538 1.367 1.00 0.00 C ATOM 748 C LYS A 46 -4.953 9.291 1.408 1.00 0.00 C ATOM 749 O LYS A 46 -4.929 10.516 1.518 1.00 0.00 O ATOM 750 CB LYS A 46 -6.804 8.327 2.788 1.00 0.00 C ATOM 751 CG LYS A 46 -8.321 8.263 2.872 1.00 0.00 C ATOM 752 CD LYS A 46 -8.917 9.598 3.293 1.00 0.00 C ATOM 753 CE LYS A 46 -9.565 10.316 2.119 1.00 0.00 C ATOM 754 NZ LYS A 46 -10.870 10.928 2.495 1.00 0.00 N ATOM 0 H LYS A 46 -5.755 6.511 1.271 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.995 9.139 0.805 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.387 7.403 3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.447 9.138 3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.727 7.972 1.903 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.614 7.492 3.585 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.658 9.436 4.075 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.136 10.228 3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.893 11.091 1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.716 9.612 1.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.280 11.408 1.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.520 10.185 2.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.722 11.619 3.258 1.00 0.00 H new ATOM 768 N GLY A 47 -3.851 8.552 1.319 1.00 0.00 N ATOM 769 CA GLY A 47 -2.539 9.173 1.350 1.00 0.00 C ATOM 770 C GLY A 47 -2.128 9.583 2.750 1.00 0.00 C ATOM 771 O GLY A 47 -1.137 9.087 3.284 1.00 0.00 O ATOM 0 H GLY A 47 -3.843 7.536 1.226 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.802 8.479 0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.539 10.050 0.703 1.00 0.00 H new ATOM 775 N THR A 48 -2.896 10.489 3.347 1.00 0.00 N ATOM 776 CA THR A 48 -2.609 10.965 4.695 1.00 0.00 C ATOM 777 C THR A 48 -2.989 9.914 5.733 1.00 0.00 C ATOM 778 O THR A 48 -2.404 9.856 6.815 1.00 0.00 O ATOM 779 CB THR A 48 -3.364 12.266 4.972 1.00 0.00 C ATOM 780 OG1 THR A 48 -3.291 12.606 6.345 1.00 0.00 O ATOM 781 CG2 THR A 48 -4.828 12.204 4.591 1.00 0.00 C ATOM 0 H THR A 48 -3.721 10.908 2.919 1.00 0.00 H new ATOM 0 HA THR A 48 -1.538 11.153 4.767 1.00 0.00 H new ATOM 0 HB THR A 48 -2.877 13.019 4.352 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.779 13.442 6.501 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.303 13.159 4.814 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.918 11.994 3.525 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.319 11.414 5.159 1.00 0.00 H new ATOM 789 N GLN A 49 -3.972 9.082 5.396 1.00 0.00 N ATOM 790 CA GLN A 49 -4.428 8.034 6.300 1.00 0.00 C ATOM 791 C GLN A 49 -3.628 6.752 6.094 1.00 0.00 C ATOM 792 O GLN A 49 -2.952 6.279 7.008 1.00 0.00 O ATOM 793 CB GLN A 49 -5.918 7.760 6.091 1.00 0.00 C ATOM 794 CG GLN A 49 -6.791 8.995 6.241 1.00 0.00 C ATOM 795 CD GLN A 49 -7.068 9.339 7.691 1.00 0.00 C ATOM 796 OE1 GLN A 49 -6.242 9.956 8.364 1.00 0.00 O ATOM 797 NE2 GLN A 49 -8.236 8.941 8.181 1.00 0.00 N ATOM 0 H GLN A 49 -4.466 9.115 4.504 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.271 8.378 7.322 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.065 7.340 5.096 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.244 7.006 6.807 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.303 9.841 5.757 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.736 8.833 5.723 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.891 8.432 7.588 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.478 9.144 9.151 1.00 0.00 H new ATOM 806 N SER A 50 -3.707 6.190 4.890 1.00 0.00 N ATOM 807 CA SER A 50 -2.986 4.960 4.576 1.00 0.00 C ATOM 808 C SER A 50 -3.182 4.560 3.116 1.00 0.00 C ATOM 809 O SER A 50 -3.964 5.174 2.392 1.00 0.00 O ATOM 810 CB SER A 50 -3.448 3.825 5.491 1.00 0.00 C ATOM 811 OG SER A 50 -4.660 3.257 5.027 1.00 0.00 O ATOM 0 H SER A 50 -4.260 6.565 4.120 1.00 0.00 H new ATOM 0 HA SER A 50 -1.925 5.146 4.740 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.677 3.056 5.539 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.584 4.203 6.504 1.00 0.00 H new ATOM 0 HG SER A 50 -4.933 2.533 5.628 1.00 0.00 H new ATOM 817 N ASN A 51 -2.463 3.524 2.695 1.00 0.00 N ATOM 818 CA ASN A 51 -2.552 3.030 1.325 1.00 0.00 C ATOM 819 C ASN A 51 -2.599 1.504 1.304 1.00 0.00 C ATOM 820 O ASN A 51 -2.693 0.864 2.351 1.00 0.00 O ATOM 821 CB ASN A 51 -1.362 3.529 0.504 1.00 0.00 C ATOM 822 CG ASN A 51 -0.034 3.043 1.054 1.00 0.00 C ATOM 823 OD1 ASN A 51 0.422 1.947 0.728 1.00 0.00 O ATOM 824 ND2 ASN A 51 0.593 3.859 1.894 1.00 0.00 N ATOM 0 H ASN A 51 -1.810 3.009 3.285 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.472 3.411 0.883 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.470 3.193 -0.527 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.368 4.619 0.487 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.490 3.586 2.297 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.178 4.759 2.136 1.00 0.00 H new ATOM 831 N HIS A 52 -2.532 0.925 0.109 1.00 0.00 N ATOM 832 CA HIS A 52 -2.567 -0.527 -0.035 1.00 0.00 C ATOM 833 C HIS A 52 -1.473 -1.013 -0.986 1.00 0.00 C ATOM 834 O HIS A 52 -1.160 -0.354 -1.978 1.00 0.00 O ATOM 835 CB HIS A 52 -3.947 -0.979 -0.531 1.00 0.00 C ATOM 836 CG HIS A 52 -4.086 -1.005 -2.025 1.00 0.00 C ATOM 837 ND1 HIS A 52 -4.627 -0.107 -2.883 1.00 0.00 N flip ATOM 838 CD2 HIS A 52 -3.634 -2.050 -2.803 1.00 0.00 C flip ATOM 839 CE1 HIS A 52 -4.493 -0.622 -4.149 1.00 0.00 C flip ATOM 840 NE2 HIS A 52 -3.890 -1.794 -4.073 1.00 0.00 N flip ATOM 0 H HIS A 52 -2.454 1.436 -0.770 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.382 -0.969 0.944 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -4.152 -1.976 -0.141 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -4.705 -0.313 -0.118 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -3.147 -2.939 -2.432 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.827 -0.146 -5.059 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -3.661 -2.399 -4.861 1.00 0.00 H new ATOM 849 N VAL A 53 -0.903 -2.174 -0.675 1.00 0.00 N ATOM 850 CA VAL A 53 0.149 -2.755 -1.500 1.00 0.00 C ATOM 851 C VAL A 53 -0.369 -3.970 -2.263 1.00 0.00 C ATOM 852 O VAL A 53 -1.041 -4.831 -1.696 1.00 0.00 O ATOM 853 CB VAL A 53 1.363 -3.175 -0.647 1.00 0.00 C ATOM 854 CG1 VAL A 53 2.497 -3.669 -1.533 1.00 0.00 C ATOM 855 CG2 VAL A 53 1.825 -2.019 0.227 1.00 0.00 C ATOM 0 H VAL A 53 -1.153 -2.730 0.143 1.00 0.00 H new ATOM 0 HA VAL A 53 0.463 -1.988 -2.208 1.00 0.00 H new ATOM 0 HB VAL A 53 1.060 -3.995 0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.344 -3.960 -0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.159 -4.529 -2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.802 -2.872 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.682 -2.333 0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.110 -1.177 -0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.014 -1.717 0.890 1.00 0.00 H new ATOM 865 N LEU A 54 -0.057 -4.031 -3.553 1.00 0.00 N ATOM 866 CA LEU A 54 -0.497 -5.140 -4.391 1.00 0.00 C ATOM 867 C LEU A 54 0.672 -5.736 -5.172 1.00 0.00 C ATOM 868 O LEU A 54 1.458 -5.012 -5.784 1.00 0.00 O ATOM 869 CB LEU A 54 -1.589 -4.673 -5.358 1.00 0.00 C ATOM 870 CG LEU A 54 -2.825 -5.571 -5.423 1.00 0.00 C ATOM 871 CD1 LEU A 54 -2.426 -7.008 -5.722 1.00 0.00 C ATOM 872 CD2 LEU A 54 -3.608 -5.495 -4.120 1.00 0.00 C ATOM 0 H LEU A 54 0.498 -3.327 -4.040 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.903 -5.914 -3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.903 -3.670 -5.070 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.160 -4.598 -6.357 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.465 -5.217 -6.231 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.319 -7.632 -5.764 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.908 -7.050 -6.680 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.765 -7.373 -4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.484 -6.140 -4.184 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.975 -5.823 -3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.926 -4.467 -3.946 1.00 0.00 H new ATOM 884 N PHE A 55 0.775 -7.061 -5.150 1.00 0.00 N ATOM 885 CA PHE A 55 1.844 -7.757 -5.857 1.00 0.00 C ATOM 886 C PHE A 55 1.380 -8.183 -7.246 1.00 0.00 C ATOM 887 O PHE A 55 0.292 -8.737 -7.405 1.00 0.00 O ATOM 888 CB PHE A 55 2.300 -8.981 -5.056 1.00 0.00 C ATOM 889 CG PHE A 55 3.356 -9.798 -5.746 1.00 0.00 C ATOM 890 CD1 PHE A 55 4.419 -9.183 -6.390 1.00 0.00 C ATOM 891 CD2 PHE A 55 3.285 -11.182 -5.751 1.00 0.00 C ATOM 892 CE1 PHE A 55 5.391 -9.934 -7.024 1.00 0.00 C ATOM 893 CE2 PHE A 55 4.254 -11.938 -6.383 1.00 0.00 C ATOM 894 CZ PHE A 55 5.308 -11.313 -7.021 1.00 0.00 C ATOM 0 H PHE A 55 0.131 -7.674 -4.650 1.00 0.00 H new ATOM 0 HA PHE A 55 2.686 -7.073 -5.967 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.683 -8.650 -4.091 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.436 -9.615 -4.856 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.488 -8.105 -6.396 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.462 -11.676 -5.255 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.215 -9.443 -7.521 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.187 -13.016 -6.378 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.066 -11.902 -7.517 1.00 0.00 H new ATOM 904 N LEU A 56 2.209 -7.917 -8.250 1.00 0.00 N ATOM 905 CA LEU A 56 1.880 -8.270 -9.625 1.00 0.00 C ATOM 906 C LEU A 56 2.790 -9.382 -10.137 1.00 0.00 C ATOM 907 O LEU A 56 3.744 -9.126 -10.872 1.00 0.00 O ATOM 908 CB LEU A 56 1.994 -7.044 -10.532 1.00 0.00 C ATOM 909 CG LEU A 56 1.067 -5.881 -10.172 1.00 0.00 C ATOM 910 CD1 LEU A 56 1.191 -4.764 -11.197 1.00 0.00 C ATOM 911 CD2 LEU A 56 -0.375 -6.359 -10.075 1.00 0.00 C ATOM 0 H LEU A 56 3.113 -7.458 -8.137 1.00 0.00 H new ATOM 0 HA LEU A 56 0.852 -8.631 -9.642 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.024 -6.688 -10.508 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.786 -7.350 -11.557 1.00 0.00 H new ATOM 0 HG LEU A 56 1.366 -5.490 -9.199 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.525 -3.945 -10.925 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.219 -4.403 -11.219 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.918 -5.142 -12.182 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.020 -5.519 -9.818 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.686 -6.775 -11.033 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.453 -7.125 -9.304 1.00 0.00 H new ATOM 923 N SER A 57 2.487 -10.616 -9.749 1.00 0.00 N ATOM 924 CA SER A 57 3.276 -11.765 -10.176 1.00 0.00 C ATOM 925 C SER A 57 3.259 -11.894 -11.695 1.00 0.00 C ATOM 926 O SER A 57 4.194 -12.427 -12.295 1.00 0.00 O ATOM 927 CB SER A 57 2.741 -13.047 -9.536 1.00 0.00 C ATOM 928 OG SER A 57 1.358 -12.935 -9.247 1.00 0.00 O ATOM 0 H SER A 57 1.702 -10.846 -9.140 1.00 0.00 H new ATOM 0 HA SER A 57 4.305 -11.611 -9.851 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.908 -13.889 -10.207 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.291 -13.256 -8.619 1.00 0.00 H new ATOM 0 HG SER A 57 1.040 -13.768 -8.840 1.00 0.00 H new ATOM 934 N SER A 58 2.190 -11.402 -12.313 1.00 0.00 N ATOM 935 CA SER A 58 2.047 -11.457 -13.762 1.00 0.00 C ATOM 936 C SER A 58 1.176 -10.309 -14.261 1.00 0.00 C ATOM 937 O SER A 58 1.637 -9.443 -15.005 1.00 0.00 O ATOM 938 CB SER A 58 1.442 -12.796 -14.185 1.00 0.00 C ATOM 939 OG SER A 58 1.430 -12.929 -15.596 1.00 0.00 O ATOM 0 H SER A 58 1.408 -10.959 -11.830 1.00 0.00 H new ATOM 0 HA SER A 58 3.037 -11.360 -14.207 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.015 -13.612 -13.745 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.425 -12.876 -13.801 1.00 0.00 H new ATOM 0 HG SER A 58 1.040 -13.794 -15.840 1.00 0.00 H new ATOM 945 N TYR A 59 -0.087 -10.307 -13.844 1.00 0.00 N ATOM 946 CA TYR A 59 -1.028 -9.264 -14.244 1.00 0.00 C ATOM 947 C TYR A 59 -1.046 -9.088 -15.759 1.00 0.00 C ATOM 948 O TYR A 59 -0.336 -8.244 -16.305 1.00 0.00 O ATOM 949 CB TYR A 59 -0.667 -7.939 -13.569 1.00 0.00 C ATOM 950 CG TYR A 59 -1.787 -6.922 -13.591 1.00 0.00 C ATOM 951 CD1 TYR A 59 -2.760 -6.909 -12.600 1.00 0.00 C ATOM 952 CD2 TYR A 59 -1.868 -5.972 -14.603 1.00 0.00 C ATOM 953 CE1 TYR A 59 -3.783 -5.979 -12.615 1.00 0.00 C ATOM 954 CE2 TYR A 59 -2.889 -5.040 -14.625 1.00 0.00 C ATOM 955 CZ TYR A 59 -3.843 -5.048 -13.630 1.00 0.00 C ATOM 956 OH TYR A 59 -4.858 -4.120 -13.649 1.00 0.00 O ATOM 0 H TYR A 59 -0.483 -11.017 -13.228 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.024 -9.570 -13.925 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.384 -8.133 -12.534 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.207 -7.515 -14.064 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.717 -7.638 -11.804 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.122 -5.962 -15.384 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.531 -5.982 -11.836 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.939 -4.309 -15.418 1.00 0.00 H new ATOM 0 HH TYR A 59 -5.553 -4.382 -13.009 1.00 0.00 H new ATOM 966 N ASN A 60 -1.863 -9.891 -16.433 1.00 0.00 N ATOM 967 CA ASN A 60 -1.974 -9.826 -17.885 1.00 0.00 C ATOM 968 C ASN A 60 -3.216 -9.044 -18.300 1.00 0.00 C ATOM 969 O ASN A 60 -4.331 -9.370 -17.895 1.00 0.00 O ATOM 970 CB ASN A 60 -2.022 -11.236 -18.479 1.00 0.00 C ATOM 971 CG ASN A 60 -3.012 -12.132 -17.759 1.00 0.00 C ATOM 972 OD1 ASN A 60 -4.224 -11.944 -17.859 1.00 0.00 O ATOM 973 ND2 ASN A 60 -2.497 -13.114 -17.028 1.00 0.00 N ATOM 0 H ASN A 60 -2.458 -10.595 -15.996 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.095 -9.308 -18.269 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.292 -11.174 -19.533 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.029 -11.682 -18.429 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.113 -13.749 -16.521 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.485 -13.233 -16.974 1.00 0.00 H new ATOM 980 N SER A 61 -3.016 -8.010 -19.113 1.00 0.00 N ATOM 981 CA SER A 61 -4.120 -7.178 -19.584 1.00 0.00 C ATOM 982 C SER A 61 -5.265 -8.035 -20.115 1.00 0.00 C ATOM 983 O SER A 61 -5.085 -8.829 -21.039 1.00 0.00 O ATOM 984 CB SER A 61 -3.637 -6.219 -20.673 1.00 0.00 C ATOM 985 OG SER A 61 -2.360 -5.690 -20.358 1.00 0.00 O ATOM 0 H SER A 61 -2.099 -7.728 -19.460 1.00 0.00 H new ATOM 0 HA SER A 61 -4.489 -6.599 -18.737 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.592 -6.742 -21.628 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.353 -5.405 -20.789 1.00 0.00 H new ATOM 0 HG SER A 61 -2.073 -5.081 -21.071 1.00 0.00 H new ATOM 991 N VAL A 62 -6.443 -7.870 -19.524 1.00 0.00 N ATOM 992 CA VAL A 62 -7.617 -8.630 -19.934 1.00 0.00 C ATOM 993 C VAL A 62 -8.894 -8.036 -19.347 1.00 0.00 C ATOM 994 O VAL A 62 -9.867 -8.749 -19.104 1.00 0.00 O ATOM 995 CB VAL A 62 -7.501 -10.110 -19.515 1.00 0.00 C ATOM 996 CG1 VAL A 62 -7.479 -10.242 -17.998 1.00 0.00 C ATOM 997 CG2 VAL A 62 -8.634 -10.931 -20.118 1.00 0.00 C ATOM 0 H VAL A 62 -6.610 -7.216 -18.759 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.668 -8.574 -21.021 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.559 -10.501 -19.900 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.397 -11.294 -17.725 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.625 -9.696 -17.598 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.399 -9.831 -17.584 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.533 -11.972 -19.810 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.591 -10.541 -19.771 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.590 -10.869 -21.205 1.00 0.00 H new ATOM 1007 N ASP A 63 -8.888 -6.724 -19.124 1.00 0.00 N ATOM 1008 CA ASP A 63 -10.048 -6.032 -18.566 1.00 0.00 C ATOM 1009 C ASP A 63 -10.254 -6.391 -17.097 1.00 0.00 C ATOM 1010 O ASP A 63 -10.270 -5.515 -16.232 1.00 0.00 O ATOM 1011 CB ASP A 63 -11.308 -6.369 -19.367 1.00 0.00 C ATOM 1012 CG ASP A 63 -12.442 -5.399 -19.097 1.00 0.00 C ATOM 1013 OD1 ASP A 63 -12.254 -4.186 -19.328 1.00 0.00 O ATOM 1014 OD2 ASP A 63 -13.519 -5.852 -18.654 1.00 0.00 O ATOM 0 H ASP A 63 -8.092 -6.118 -19.321 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.858 -4.961 -18.632 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.072 -6.360 -20.431 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.632 -7.380 -19.121 1.00 0.00 H new ATOM 1019 N GLU A 64 -10.413 -7.683 -16.819 1.00 0.00 N ATOM 1020 CA GLU A 64 -10.621 -8.155 -15.455 1.00 0.00 C ATOM 1021 C GLU A 64 -9.492 -7.689 -14.543 1.00 0.00 C ATOM 1022 O GLU A 64 -9.721 -7.352 -13.381 1.00 0.00 O ATOM 1023 CB GLU A 64 -10.717 -9.681 -15.429 1.00 0.00 C ATOM 1024 CG GLU A 64 -11.113 -10.243 -14.073 1.00 0.00 C ATOM 1025 CD GLU A 64 -12.616 -10.324 -13.892 1.00 0.00 C ATOM 1026 OE1 GLU A 64 -13.237 -11.234 -14.481 1.00 0.00 O ATOM 1027 OE2 GLU A 64 -13.172 -9.478 -13.162 1.00 0.00 O ATOM 0 H GLU A 64 -10.401 -8.422 -17.522 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.558 -7.734 -15.090 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.445 -10.004 -16.173 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.755 -10.102 -15.721 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.683 -11.238 -13.956 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.689 -9.618 -13.287 1.00 0.00 H new ATOM 1034 N ILE A 65 -8.275 -7.671 -15.075 1.00 0.00 N ATOM 1035 CA ILE A 65 -7.118 -7.241 -14.299 1.00 0.00 C ATOM 1036 C ILE A 65 -7.236 -5.768 -13.919 1.00 0.00 C ATOM 1037 O ILE A 65 -6.841 -5.366 -12.824 1.00 0.00 O ATOM 1038 CB ILE A 65 -5.803 -7.468 -15.069 1.00 0.00 C ATOM 1039 CG1 ILE A 65 -5.877 -6.836 -16.461 1.00 0.00 C ATOM 1040 CG2 ILE A 65 -5.501 -8.956 -15.168 1.00 0.00 C ATOM 1041 CD1 ILE A 65 -5.102 -5.543 -16.581 1.00 0.00 C ATOM 0 H ILE A 65 -8.065 -7.947 -16.034 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.098 -7.846 -13.393 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.992 -6.987 -14.522 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.497 -7.547 -17.194 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.921 -6.648 -16.711 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.569 -9.103 -15.714 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.404 -9.375 -14.166 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.313 -9.458 -15.694 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.200 -5.153 -17.594 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.497 -4.815 -15.872 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.050 -5.728 -16.363 1.00 0.00 H new ATOM 1053 N ARG A 66 -7.793 -4.971 -14.826 1.00 0.00 N ATOM 1054 CA ARG A 66 -7.973 -3.544 -14.581 1.00 0.00 C ATOM 1055 C ARG A 66 -9.041 -3.313 -13.519 1.00 0.00 C ATOM 1056 O ARG A 66 -8.812 -2.607 -12.536 1.00 0.00 O ATOM 1057 CB ARG A 66 -8.362 -2.825 -15.874 1.00 0.00 C ATOM 1058 CG ARG A 66 -7.226 -2.712 -16.877 1.00 0.00 C ATOM 1059 CD ARG A 66 -7.626 -1.877 -18.084 1.00 0.00 C ATOM 1060 NE ARG A 66 -8.012 -0.518 -17.709 1.00 0.00 N ATOM 1061 CZ ARG A 66 -9.253 -0.158 -17.385 1.00 0.00 C ATOM 1062 NH1 ARG A 66 -10.235 -1.052 -17.377 1.00 0.00 N ATOM 1063 NH2 ARG A 66 -9.513 1.101 -17.061 1.00 0.00 N ATOM 0 H ARG A 66 -8.127 -5.289 -15.736 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.027 -3.139 -14.221 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.193 -3.356 -16.338 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.720 -1.825 -15.629 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.358 -2.263 -16.395 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.929 -3.708 -17.205 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.794 -1.836 -18.788 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.456 -2.360 -18.599 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.287 0.199 -17.694 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.042 -2.024 -17.620 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.182 -0.767 -17.128 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.763 1.793 -17.060 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.463 1.378 -16.813 1.00 0.00 H new ATOM 1077 N LYS A 67 -10.209 -3.915 -13.724 1.00 0.00 N ATOM 1078 CA LYS A 67 -11.317 -3.780 -12.787 1.00 0.00 C ATOM 1079 C LYS A 67 -10.903 -4.203 -11.382 1.00 0.00 C ATOM 1080 O LYS A 67 -11.433 -3.703 -10.389 1.00 0.00 O ATOM 1081 CB LYS A 67 -12.508 -4.619 -13.252 1.00 0.00 C ATOM 1082 CG LYS A 67 -13.090 -4.165 -14.580 1.00 0.00 C ATOM 1083 CD LYS A 67 -13.871 -5.281 -15.255 1.00 0.00 C ATOM 1084 CE LYS A 67 -15.362 -5.156 -14.988 1.00 0.00 C ATOM 1085 NZ LYS A 67 -16.021 -6.487 -14.878 1.00 0.00 N ATOM 0 H LYS A 67 -10.412 -4.502 -14.533 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.606 -2.730 -12.758 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.197 -5.660 -13.338 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.288 -4.581 -12.491 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.744 -3.308 -14.418 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.286 -3.833 -15.237 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.689 -5.256 -16.329 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.515 -6.246 -14.894 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.520 -4.596 -14.066 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.828 -4.586 -15.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.037 -6.357 -14.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.893 -7.012 -15.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.594 -7.022 -14.095 1.00 0.00 H new ATOM 1099 N GLU A 68 -9.950 -5.127 -11.303 1.00 0.00 N ATOM 1100 CA GLU A 68 -9.465 -5.615 -10.018 1.00 0.00 C ATOM 1101 C GLU A 68 -8.746 -4.508 -9.254 1.00 0.00 C ATOM 1102 O GLU A 68 -8.984 -4.308 -8.063 1.00 0.00 O ATOM 1103 CB GLU A 68 -8.524 -6.804 -10.222 1.00 0.00 C ATOM 1104 CG GLU A 68 -8.531 -7.790 -9.064 1.00 0.00 C ATOM 1105 CD GLU A 68 -9.753 -8.685 -9.071 1.00 0.00 C ATOM 1106 OE1 GLU A 68 -10.262 -8.987 -10.170 1.00 0.00 O ATOM 1107 OE2 GLU A 68 -10.203 -9.084 -7.975 1.00 0.00 O ATOM 0 H GLU A 68 -9.499 -5.552 -12.113 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.325 -5.938 -9.432 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.806 -7.327 -11.136 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.509 -6.433 -10.367 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.633 -8.406 -9.110 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.492 -7.241 -8.123 1.00 0.00 H new ATOM 1114 N LEU A 69 -7.867 -3.794 -9.947 1.00 0.00 N ATOM 1115 CA LEU A 69 -7.112 -2.707 -9.334 1.00 0.00 C ATOM 1116 C LEU A 69 -8.044 -1.634 -8.784 1.00 0.00 C ATOM 1117 O LEU A 69 -8.102 -1.413 -7.575 1.00 0.00 O ATOM 1118 CB LEU A 69 -6.145 -2.093 -10.352 1.00 0.00 C ATOM 1119 CG LEU A 69 -4.729 -1.837 -9.833 1.00 0.00 C ATOM 1120 CD1 LEU A 69 -3.976 -3.148 -9.668 1.00 0.00 C ATOM 1121 CD2 LEU A 69 -3.980 -0.906 -10.775 1.00 0.00 C ATOM 0 H LEU A 69 -7.659 -3.948 -10.934 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.540 -3.120 -8.503 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.084 -2.755 -11.216 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.563 -1.149 -10.702 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.800 -1.357 -8.857 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.971 -2.946 -9.298 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.504 -3.784 -8.957 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.913 -3.655 -10.631 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.974 -0.733 -10.392 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.919 -1.361 -11.764 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.510 0.044 -10.845 1.00 0.00 H new ATOM 1133 N GLU A 70 -8.776 -0.972 -9.676 1.00 0.00 N ATOM 1134 CA GLU A 70 -9.710 0.077 -9.272 1.00 0.00 C ATOM 1135 C GLU A 70 -10.579 -0.391 -8.109 1.00 0.00 C ATOM 1136 O GLU A 70 -10.951 0.398 -7.238 1.00 0.00 O ATOM 1137 CB GLU A 70 -10.592 0.498 -10.452 1.00 0.00 C ATOM 1138 CG GLU A 70 -11.022 -0.659 -11.341 1.00 0.00 C ATOM 1139 CD GLU A 70 -10.552 -0.500 -12.775 1.00 0.00 C ATOM 1140 OE1 GLU A 70 -9.360 -0.189 -12.978 1.00 0.00 O ATOM 1141 OE2 GLU A 70 -11.377 -0.688 -13.694 1.00 0.00 O ATOM 0 H GLU A 70 -8.741 -1.142 -10.681 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.128 0.939 -8.945 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -11.481 0.999 -10.068 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.051 1.226 -11.056 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.628 -1.590 -10.935 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.109 -0.739 -11.326 1.00 0.00 H new ATOM 1148 N GLU A 71 -10.887 -1.685 -8.094 1.00 0.00 N ATOM 1149 CA GLU A 71 -11.697 -2.264 -7.031 1.00 0.00 C ATOM 1150 C GLU A 71 -10.973 -2.151 -5.695 1.00 0.00 C ATOM 1151 O GLU A 71 -11.576 -1.817 -4.674 1.00 0.00 O ATOM 1152 CB GLU A 71 -12.010 -3.731 -7.335 1.00 0.00 C ATOM 1153 CG GLU A 71 -13.333 -3.937 -8.052 1.00 0.00 C ATOM 1154 CD GLU A 71 -13.698 -5.403 -8.189 1.00 0.00 C ATOM 1155 OE1 GLU A 71 -12.890 -6.165 -8.761 1.00 0.00 O ATOM 1156 OE2 GLU A 71 -14.792 -5.788 -7.724 1.00 0.00 O ATOM 0 H GLU A 71 -10.587 -2.351 -8.806 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.635 -1.712 -6.972 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.208 -4.146 -7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.022 -4.292 -6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.122 -3.419 -7.507 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.280 -3.485 -9.042 1.00 0.00 H new ATOM 1163 N ALA A 72 -9.672 -2.423 -5.712 1.00 0.00 N ATOM 1164 CA ALA A 72 -8.863 -2.342 -4.502 1.00 0.00 C ATOM 1165 C ALA A 72 -8.333 -0.927 -4.283 1.00 0.00 C ATOM 1166 O ALA A 72 -7.530 -0.689 -3.381 1.00 0.00 O ATOM 1167 CB ALA A 72 -7.711 -3.334 -4.572 1.00 0.00 C ATOM 0 H ALA A 72 -9.157 -2.701 -6.548 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.499 -2.596 -3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.114 -3.264 -3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.107 -4.345 -4.669 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.086 -3.105 -5.435 1.00 0.00 H new ATOM 1173 N GLY A 73 -8.786 0.012 -5.112 1.00 0.00 N ATOM 1174 CA GLY A 73 -8.345 1.388 -4.989 1.00 0.00 C ATOM 1175 C GLY A 73 -9.225 2.198 -4.058 1.00 0.00 C ATOM 1176 O GLY A 73 -8.727 2.893 -3.172 1.00 0.00 O ATOM 0 H GLY A 73 -9.451 -0.158 -5.866 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.319 1.406 -4.621 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.339 1.854 -5.975 1.00 0.00 H new ATOM 1180 N ALA A 74 -10.537 2.113 -4.255 1.00 0.00 N ATOM 1181 CA ALA A 74 -11.477 2.850 -3.419 1.00 0.00 C ATOM 1182 C ALA A 74 -12.912 2.380 -3.636 1.00 0.00 C ATOM 1183 O ALA A 74 -13.850 3.171 -3.556 1.00 0.00 O ATOM 1184 CB ALA A 74 -11.365 4.342 -3.692 1.00 0.00 C ATOM 0 H ALA A 74 -10.971 1.544 -4.982 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.219 2.655 -2.378 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.072 4.881 -3.062 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.352 4.677 -3.470 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.591 4.538 -4.740 1.00 0.00 H new ATOM 1190 N LYS A 75 -13.079 1.091 -3.909 1.00 0.00 N ATOM 1191 CA LYS A 75 -14.405 0.528 -4.130 1.00 0.00 C ATOM 1192 C LYS A 75 -14.910 -0.182 -2.878 1.00 0.00 C ATOM 1193 O LYS A 75 -14.124 -0.573 -2.016 1.00 0.00 O ATOM 1194 CB LYS A 75 -14.382 -0.445 -5.310 1.00 0.00 C ATOM 1195 CG LYS A 75 -14.693 0.211 -6.644 1.00 0.00 C ATOM 1196 CD LYS A 75 -16.181 0.175 -6.950 1.00 0.00 C ATOM 1197 CE LYS A 75 -16.500 0.894 -8.249 1.00 0.00 C ATOM 1198 NZ LYS A 75 -15.565 0.509 -9.342 1.00 0.00 N ATOM 0 H LYS A 75 -12.316 0.419 -3.982 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.085 1.348 -4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.399 -0.913 -5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -15.105 -1.241 -5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -14.348 1.245 -6.631 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.145 -0.298 -7.437 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.515 -0.860 -7.015 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.733 0.638 -6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.523 0.665 -8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.448 1.971 -8.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.948 0.827 -10.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.640 0.955 -9.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.453 -0.525 -9.355 1.00 0.00 H new ATOM 1212 N ILE A 76 -16.226 -0.342 -2.785 1.00 0.00 N ATOM 1213 CA ILE A 76 -16.838 -1.005 -1.639 1.00 0.00 C ATOM 1214 C ILE A 76 -16.493 -2.492 -1.617 1.00 0.00 C ATOM 1215 O ILE A 76 -17.349 -3.343 -1.860 1.00 0.00 O ATOM 1216 CB ILE A 76 -18.370 -0.845 -1.648 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -18.935 -1.208 -3.022 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -18.758 0.576 -1.267 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -20.425 -1.467 -3.015 1.00 0.00 C ATOM 0 H ILE A 76 -16.890 -0.021 -3.490 1.00 0.00 H new ATOM 0 HA ILE A 76 -16.437 -0.527 -0.745 1.00 0.00 H new ATOM 0 HB ILE A 76 -18.795 -1.526 -0.910 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -18.719 -0.399 -3.720 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -18.422 -2.095 -3.394 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -19.844 0.672 -1.278 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -18.384 0.800 -0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -18.324 1.276 -1.982 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -20.755 -1.719 -4.023 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -20.647 -2.296 -2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -20.948 -0.573 -2.674 1.00 0.00 H new ATOM 1231 N ASN A 77 -15.233 -2.796 -1.327 1.00 0.00 N ATOM 1232 CA ASN A 77 -14.768 -4.178 -1.275 1.00 0.00 C ATOM 1233 C ASN A 77 -13.290 -4.233 -0.902 1.00 0.00 C ATOM 1234 O ASN A 77 -12.702 -3.222 -0.516 1.00 0.00 O ATOM 1235 CB ASN A 77 -14.995 -4.864 -2.625 1.00 0.00 C ATOM 1236 CG ASN A 77 -14.278 -4.157 -3.759 1.00 0.00 C ATOM 1237 OD1 ASN A 77 -13.050 -4.076 -3.778 1.00 0.00 O ATOM 1238 ND2 ASN A 77 -15.045 -3.640 -4.711 1.00 0.00 N ATOM 0 H ASN A 77 -14.513 -2.102 -1.124 1.00 0.00 H new ATOM 0 HA ASN A 77 -15.339 -4.705 -0.510 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -14.650 -5.896 -2.568 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -16.063 -4.896 -2.838 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -14.620 -3.152 -5.499 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -16.059 -3.731 -4.654 1.00 0.00 H new ATOM 1245 N HIS A 78 -12.691 -5.415 -1.018 1.00 0.00 N ATOM 1246 CA HIS A 78 -11.282 -5.589 -0.691 1.00 0.00 C ATOM 1247 C HIS A 78 -11.025 -5.256 0.777 1.00 0.00 C ATOM 1248 O HIS A 78 -10.761 -4.105 1.126 1.00 0.00 O ATOM 1249 CB HIS A 78 -10.417 -4.705 -1.600 1.00 0.00 C ATOM 1250 CG HIS A 78 -9.001 -4.549 -1.132 1.00 0.00 C ATOM 1251 ND1 HIS A 78 -8.595 -3.536 -0.287 1.00 0.00 N ATOM 1252 CD2 HIS A 78 -7.893 -5.283 -1.393 1.00 0.00 C ATOM 1253 CE1 HIS A 78 -7.301 -3.653 -0.051 1.00 0.00 C ATOM 1254 NE2 HIS A 78 -6.852 -4.705 -0.710 1.00 0.00 N ATOM 0 H HIS A 78 -13.159 -6.264 -1.335 1.00 0.00 H new ATOM 0 HA HIS A 78 -11.013 -6.632 -0.856 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -10.412 -5.129 -2.604 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -10.875 -3.719 -1.673 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -9.200 -2.810 0.096 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -7.839 -6.160 -2.021 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -6.711 -3.000 0.574 1.00 0.00 H new ATOM 1263 N THR A 79 -11.103 -6.270 1.632 1.00 0.00 N ATOM 1264 CA THR A 79 -10.878 -6.086 3.061 1.00 0.00 C ATOM 1265 C THR A 79 -10.969 -7.416 3.802 1.00 0.00 C ATOM 1266 O THR A 79 -11.043 -8.477 3.184 1.00 0.00 O ATOM 1267 CB THR A 79 -11.894 -5.098 3.637 1.00 0.00 C ATOM 1268 OG1 THR A 79 -11.625 -4.843 5.005 1.00 0.00 O ATOM 1269 CG2 THR A 79 -13.325 -5.579 3.533 1.00 0.00 C ATOM 0 H THR A 79 -11.321 -7.229 1.360 1.00 0.00 H new ATOM 0 HA THR A 79 -9.874 -5.683 3.195 1.00 0.00 H new ATOM 0 HB THR A 79 -11.788 -4.194 3.037 1.00 0.00 H new ATOM 0 HG1 THR A 79 -12.284 -4.208 5.355 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.992 -4.830 3.960 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.580 -5.737 2.485 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.434 -6.516 4.079 1.00 0.00 H new ATOM 1277 N THR A 80 -10.958 -7.347 5.132 1.00 0.00 N ATOM 1278 CA THR A 80 -11.038 -8.541 5.974 1.00 0.00 C ATOM 1279 C THR A 80 -10.099 -9.642 5.482 1.00 0.00 C ATOM 1280 O THR A 80 -10.351 -10.827 5.698 1.00 0.00 O ATOM 1281 CB THR A 80 -12.477 -9.061 6.026 1.00 0.00 C ATOM 1282 OG1 THR A 80 -12.594 -10.113 6.968 1.00 0.00 O ATOM 1283 CG2 THR A 80 -12.980 -9.580 4.697 1.00 0.00 C ATOM 0 H THR A 80 -10.894 -6.472 5.653 1.00 0.00 H new ATOM 0 HA THR A 80 -10.723 -8.257 6.978 1.00 0.00 H new ATOM 0 HB THR A 80 -13.082 -8.201 6.312 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.865 -10.755 6.834 1.00 0.00 H new ATOM 0 HG21 THR A 80 -14.006 -9.932 4.808 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.950 -8.779 3.958 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.348 -10.404 4.365 1.00 0.00 H new ATOM 1291 N LEU A 81 -9.012 -9.243 4.826 1.00 0.00 N ATOM 1292 CA LEU A 81 -8.029 -10.194 4.311 1.00 0.00 C ATOM 1293 C LEU A 81 -8.698 -11.330 3.534 1.00 0.00 C ATOM 1294 O LEU A 81 -8.154 -12.431 3.440 1.00 0.00 O ATOM 1295 CB LEU A 81 -7.200 -10.770 5.461 1.00 0.00 C ATOM 1296 CG LEU A 81 -5.873 -11.413 5.045 1.00 0.00 C ATOM 1297 CD1 LEU A 81 -4.697 -10.641 5.626 1.00 0.00 C ATOM 1298 CD2 LEU A 81 -5.822 -12.869 5.484 1.00 0.00 C ATOM 0 H LEU A 81 -8.789 -8.266 4.638 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.375 -9.655 3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.992 -9.972 6.174 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.800 -11.516 5.983 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.804 -11.378 3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.764 -11.114 5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.720 -9.614 5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.763 -10.642 6.714 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.872 -13.308 5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.917 -12.926 6.568 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.641 -13.418 5.019 1.00 0.00 H new ATOM 1310 N LYS A 82 -9.874 -11.058 2.978 1.00 0.00 N ATOM 1311 CA LYS A 82 -10.604 -12.065 2.213 1.00 0.00 C ATOM 1312 C LYS A 82 -10.049 -12.178 0.798 1.00 0.00 C ATOM 1313 O LYS A 82 -9.604 -13.246 0.382 1.00 0.00 O ATOM 1314 CB LYS A 82 -12.097 -11.727 2.169 1.00 0.00 C ATOM 1315 CG LYS A 82 -12.917 -12.692 1.325 1.00 0.00 C ATOM 1316 CD LYS A 82 -13.871 -13.513 2.180 1.00 0.00 C ATOM 1317 CE LYS A 82 -15.111 -13.922 1.401 1.00 0.00 C ATOM 1318 NZ LYS A 82 -15.441 -15.361 1.595 1.00 0.00 N ATOM 0 H LYS A 82 -10.341 -10.153 3.042 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.477 -13.026 2.711 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -12.490 -11.723 3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.221 -10.718 1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.484 -12.133 0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.248 -13.360 0.782 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.359 -14.404 2.544 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -14.165 -12.934 3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.956 -13.310 1.717 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.954 -13.726 0.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -16.292 -15.599 1.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.645 -15.947 1.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.616 -15.544 2.604 1.00 0.00 H new ATOM 1332 N ILE A 83 -10.074 -11.071 0.063 1.00 0.00 N ATOM 1333 CA ILE A 83 -9.566 -11.058 -1.303 1.00 0.00 C ATOM 1334 C ILE A 83 -8.131 -11.570 -1.352 1.00 0.00 C ATOM 1335 O ILE A 83 -7.677 -12.079 -2.378 1.00 0.00 O ATOM 1336 CB ILE A 83 -9.620 -9.645 -1.914 1.00 0.00 C ATOM 1337 CG1 ILE A 83 -8.802 -8.666 -1.071 1.00 0.00 C ATOM 1338 CG2 ILE A 83 -11.062 -9.174 -2.034 1.00 0.00 C ATOM 1339 CD1 ILE A 83 -7.364 -8.534 -1.523 1.00 0.00 C ATOM 0 H ILE A 83 -10.439 -10.176 0.389 1.00 0.00 H new ATOM 0 HA ILE A 83 -10.208 -11.717 -1.888 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.186 -9.682 -2.913 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.277 -7.685 -1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -8.819 -8.992 -0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.083 -8.174 -2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -11.616 -9.859 -2.675 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -11.521 -9.151 -1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.844 -7.824 -0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.873 -9.505 -1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.338 -8.178 -2.553 1.00 0.00 H new ATOM 1351 N LEU A 84 -7.425 -11.444 -0.232 1.00 0.00 N ATOM 1352 CA LEU A 84 -6.047 -11.905 -0.148 1.00 0.00 C ATOM 1353 C LEU A 84 -6.002 -13.426 -0.102 1.00 0.00 C ATOM 1354 O LEU A 84 -5.211 -14.054 -0.806 1.00 0.00 O ATOM 1355 CB LEU A 84 -5.360 -11.318 1.087 1.00 0.00 C ATOM 1356 CG LEU A 84 -5.008 -9.832 0.988 1.00 0.00 C ATOM 1357 CD1 LEU A 84 -6.115 -8.979 1.589 1.00 0.00 C ATOM 1358 CD2 LEU A 84 -3.681 -9.551 1.680 1.00 0.00 C ATOM 0 H LEU A 84 -7.785 -11.027 0.627 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.514 -11.565 -1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.010 -11.465 1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.446 -11.880 1.277 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.909 -9.572 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.847 -7.926 1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.045 -9.158 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.247 -9.241 2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.446 -8.490 1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.753 -9.828 2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.892 -10.134 1.205 1.00 0.00 H new ATOM 1370 N GLU A 85 -6.866 -14.017 0.717 1.00 0.00 N ATOM 1371 CA GLU A 85 -6.924 -15.467 0.828 1.00 0.00 C ATOM 1372 C GLU A 85 -7.561 -16.072 -0.422 1.00 0.00 C ATOM 1373 O GLU A 85 -7.489 -17.281 -0.642 1.00 0.00 O ATOM 1374 CB GLU A 85 -7.712 -15.883 2.072 1.00 0.00 C ATOM 1375 CG GLU A 85 -9.096 -15.260 2.154 1.00 0.00 C ATOM 1376 CD GLU A 85 -9.949 -15.876 3.244 1.00 0.00 C ATOM 1377 OE1 GLU A 85 -9.833 -15.438 4.409 1.00 0.00 O ATOM 1378 OE2 GLU A 85 -10.732 -16.798 2.936 1.00 0.00 O ATOM 0 H GLU A 85 -7.530 -13.518 1.309 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.905 -15.842 0.921 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.810 -16.968 2.083 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.145 -15.605 2.960 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.998 -14.190 2.336 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.600 -15.376 1.194 1.00 0.00 H new ATOM 1385 N GLY A 86 -8.184 -15.222 -1.238 1.00 0.00 N ATOM 1386 CA GLY A 86 -8.819 -15.693 -2.452 1.00 0.00 C ATOM 1387 C GLY A 86 -7.911 -15.594 -3.663 1.00 0.00 C ATOM 1388 O GLY A 86 -8.066 -16.351 -4.621 1.00 0.00 O ATOM 0 H GLY A 86 -8.258 -14.218 -1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.127 -16.730 -2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.724 -15.113 -2.633 1.00 0.00 H new ATOM 1392 N HIS A 87 -6.961 -14.660 -3.628 1.00 0.00 N ATOM 1393 CA HIS A 87 -6.037 -14.482 -4.744 1.00 0.00 C ATOM 1394 C HIS A 87 -4.838 -13.625 -4.343 1.00 0.00 C ATOM 1395 O HIS A 87 -4.603 -12.561 -4.916 1.00 0.00 O ATOM 1396 CB HIS A 87 -6.760 -13.845 -5.933 1.00 0.00 C ATOM 1397 CG HIS A 87 -7.619 -12.678 -5.557 1.00 0.00 C ATOM 1398 ND1 HIS A 87 -7.188 -11.371 -5.630 1.00 0.00 N ATOM 1399 CD2 HIS A 87 -8.894 -12.626 -5.103 1.00 0.00 C ATOM 1400 CE1 HIS A 87 -8.159 -10.566 -5.238 1.00 0.00 C ATOM 1401 NE2 HIS A 87 -9.205 -11.303 -4.913 1.00 0.00 N ATOM 0 H HIS A 87 -6.813 -14.021 -2.847 1.00 0.00 H new ATOM 0 HA HIS A 87 -5.668 -15.466 -5.032 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -6.021 -13.520 -6.665 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -7.379 -14.600 -6.418 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -9.545 -13.469 -4.924 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -8.106 -9.488 -5.191 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -10.099 -10.947 -4.575 1.00 0.00 H new ATOM 1410 N LEU A 88 -4.079 -14.098 -3.360 1.00 0.00 N ATOM 1411 CA LEU A 88 -2.901 -13.377 -2.892 1.00 0.00 C ATOM 1412 C LEU A 88 -2.078 -14.236 -1.936 1.00 0.00 C ATOM 1413 O LEU A 88 -2.683 -15.008 -1.165 1.00 0.00 O ATOM 1414 CB LEU A 88 -3.313 -12.072 -2.205 1.00 0.00 C ATOM 1415 CG LEU A 88 -2.432 -10.864 -2.525 1.00 0.00 C ATOM 1416 CD1 LEU A 88 -0.965 -11.191 -2.293 1.00 0.00 C ATOM 1417 CD2 LEU A 88 -2.657 -10.408 -3.960 1.00 0.00 C ATOM 1418 OXT LEU A 88 -0.834 -14.130 -1.971 1.00 0.00 O ATOM 0 H LEU A 88 -4.258 -14.976 -2.873 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.283 -13.141 -3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.339 -11.839 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.308 -12.230 -1.127 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.710 -10.050 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.356 -10.318 -2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.815 -11.469 -1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.671 -12.021 -2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.023 -9.547 -4.172 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.407 -11.220 -4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.702 -10.130 -4.094 1.00 0.00 H new TER 1430 LEU A 88