USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 599 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 55 THR OG1 : rot 122:sc= 0.168 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.158 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= -1.9 USER MOD Set 2.2: A 25 ASN : amide:sc= -2.48 K(o=-4.4,f=-2.9!) USER MOD Set 3.1: A 7 THR OG1 : rot 128:sc= 0.201 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0311 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 1 MET CE :methyl -162:sc= 0 (180deg=-0.276) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.863 (180deg=-0.15) USER MOD Single : A 2 GLN : amide:sc= -0.0311 K(o=-0.031,f=-1.9!) USER MOD Single : A 11 LYS NZ :NH3+ -153:sc= 1.18 (180deg=0.954) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.00397 USER MOD Single : A 14 THR OG1 : rot -61:sc= 0.927 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0142 USER MOD Single : A 27 LYS NZ :NH3+ -124:sc= -0.435 (180deg=-1.96!) USER MOD Single : A 29 LYS NZ :NH3+ 159:sc= -0.174 (180deg=-0.955) USER MOD Single : A 31 GLN : amide:sc= -0.522 K(o=-0.52,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -3.12! K(o=-3.1!,f=-2) USER MOD Single : A 41 GLN : amide:sc= -1.69! C(o=-1.7!,f=-9.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00339 X(o=-0.0034,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.21) 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 65:sc= 1.06 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 53.488 -87.741 9.771 1.00 9.67 N ATOM 2 CA MET A 1 52.191 -87.034 9.969 1.00 10.38 C ATOM 3 C MET A 1 51.362 -87.117 8.693 1.00 9.62 C ATOM 4 O MET A 1 51.902 -87.262 7.596 1.00 9.62 O ATOM 5 CB MET A 1 52.458 -85.568 10.323 1.00 13.77 C ATOM 6 CG MET A 1 53.289 -84.909 9.222 1.00 16.29 C ATOM 7 SD MET A 1 53.806 -83.262 9.773 1.00 17.17 S ATOM 8 CE MET A 1 53.714 -82.432 8.167 1.00 16.11 C ATOM 0 H1 MET A 1 54.234 -87.255 10.308 1.00 9.67 H new ATOM 0 H2 MET A 1 53.403 -88.722 10.106 1.00 9.67 H new ATOM 0 H3 MET A 1 53.733 -87.740 8.760 1.00 9.67 H new ATOM 0 HA MET A 1 51.640 -87.506 10.783 1.00 10.38 H new ATOM 0 HB2 MET A 1 51.514 -85.037 10.445 1.00 13.77 H new ATOM 0 HB3 MET A 1 52.985 -85.505 11.275 1.00 13.77 H new ATOM 0 HG2 MET A 1 54.162 -85.520 8.993 1.00 16.29 H new ATOM 0 HG3 MET A 1 52.705 -84.832 8.305 1.00 16.29 H new ATOM 0 HE1 MET A 1 54.286 -81.505 8.203 1.00 16.11 H new ATOM 0 HE2 MET A 1 54.126 -83.083 7.397 1.00 16.11 H new ATOM 0 HE3 MET A 1 52.674 -82.207 7.933 1.00 16.11 H new ATOM 20 N GLN A 2 50.043 -87.023 8.847 1.00 9.27 N ATOM 21 CA GLN A 2 49.129 -87.088 7.708 1.00 9.07 C ATOM 22 C GLN A 2 48.742 -85.683 7.268 1.00 8.72 C ATOM 23 O GLN A 2 48.499 -84.796 8.090 1.00 8.22 O ATOM 24 CB GLN A 2 47.864 -87.853 8.104 1.00 14.46 C ATOM 25 CG GLN A 2 48.193 -89.334 8.295 1.00 17.01 C ATOM 26 CD GLN A 2 47.002 -90.051 8.924 1.00 20.10 C ATOM 27 OE1 GLN A 2 46.068 -89.405 9.398 1.00 21.89 O ATOM 28 NE2 GLN A 2 46.977 -91.355 8.951 1.00 19.49 N ATOM 0 H GLN A 2 49.583 -86.902 9.749 1.00 9.27 H new ATOM 0 HA GLN A 2 49.629 -87.601 6.886 1.00 9.07 H new ATOM 0 HB2 GLN A 2 47.452 -87.441 9.025 1.00 14.46 H new ATOM 0 HB3 GLN A 2 47.102 -87.737 7.334 1.00 14.46 H new ATOM 0 HG2 GLN A 2 48.437 -89.788 7.335 1.00 17.01 H new ATOM 0 HG3 GLN A 2 49.071 -89.442 8.931 1.00 17.01 H new ATOM 0 HE21 GLN A 2 47.752 -91.888 8.557 1.00 19.49 H new ATOM 0 HE22 GLN A 2 46.182 -91.841 9.366 1.00 19.49 H new ATOM 37 N ILE A 3 48.660 -85.507 5.946 1.00 5.87 N ATOM 38 CA ILE A 3 48.272 -84.233 5.348 1.00 5.07 C ATOM 39 C ILE A 3 47.170 -84.486 4.316 1.00 4.01 C ATOM 40 O ILE A 3 46.929 -85.631 3.924 1.00 4.61 O ATOM 41 CB ILE A 3 49.484 -83.539 4.712 1.00 6.55 C ATOM 42 CG1 ILE A 3 50.082 -84.404 3.596 1.00 4.72 C ATOM 43 CG2 ILE A 3 50.548 -83.302 5.788 1.00 5.58 C ATOM 44 CD1 ILE A 3 51.106 -83.593 2.794 1.00 10.83 C ATOM 0 H ILE A 3 48.860 -86.241 5.266 1.00 5.87 H new ATOM 0 HA ILE A 3 47.890 -83.566 6.121 1.00 5.07 H new ATOM 0 HB ILE A 3 49.159 -82.591 4.284 1.00 6.55 H new ATOM 0 HG12 ILE A 3 50.559 -85.285 4.024 1.00 4.72 H new ATOM 0 HG13 ILE A 3 49.290 -84.759 2.936 1.00 4.72 H new ATOM 0 HG21 ILE A 3 51.412 -82.809 5.343 1.00 5.58 H new ATOM 0 HG22 ILE A 3 50.135 -82.670 6.575 1.00 5.58 H new ATOM 0 HG23 ILE A 3 50.855 -84.258 6.213 1.00 5.58 H new ATOM 0 HD11 ILE A 3 51.525 -84.216 2.004 1.00 10.83 H new ATOM 0 HD12 ILE A 3 50.617 -82.725 2.351 1.00 10.83 H new ATOM 0 HD13 ILE A 3 51.905 -83.260 3.456 1.00 10.83 H new ATOM 56 N PHE A 4 46.508 -83.410 3.875 1.00 4.55 N ATOM 57 CA PHE A 4 45.430 -83.532 2.879 1.00 4.68 C ATOM 58 C PHE A 4 45.699 -82.649 1.664 1.00 5.30 C ATOM 59 O PHE A 4 46.133 -81.513 1.800 1.00 5.58 O ATOM 60 CB PHE A 4 44.101 -83.117 3.512 1.00 4.83 C ATOM 61 CG PHE A 4 43.761 -84.055 4.646 1.00 7.97 C ATOM 62 CD1 PHE A 4 43.106 -85.263 4.377 1.00 6.69 C ATOM 63 CD2 PHE A 4 44.095 -83.719 5.963 1.00 8.34 C ATOM 64 CE1 PHE A 4 42.785 -86.135 5.424 1.00 9.10 C ATOM 65 CE2 PHE A 4 43.774 -84.591 7.010 1.00 10.61 C ATOM 66 CZ PHE A 4 43.119 -85.799 6.740 1.00 8.90 C ATOM 0 H PHE A 4 46.694 -82.456 4.185 1.00 4.55 H new ATOM 0 HA PHE A 4 45.386 -84.571 2.552 1.00 4.68 H new ATOM 0 HB2 PHE A 4 44.167 -82.094 3.881 1.00 4.83 H new ATOM 0 HB3 PHE A 4 43.309 -83.135 2.763 1.00 4.83 H new ATOM 0 HD1 PHE A 4 42.848 -85.522 3.361 1.00 6.69 H new ATOM 0 HD2 PHE A 4 44.600 -82.787 6.171 1.00 8.34 H new ATOM 0 HE1 PHE A 4 42.280 -87.067 5.216 1.00 9.10 H new ATOM 0 HE2 PHE A 4 44.032 -84.332 8.026 1.00 10.61 H new ATOM 0 HZ PHE A 4 42.872 -86.471 7.548 1.00 8.90 H new ATOM 76 N VAL A 5 45.398 -83.174 0.472 1.00 4.44 N ATOM 77 CA VAL A 5 45.567 -82.408 -0.771 1.00 3.87 C ATOM 78 C VAL A 5 44.225 -82.327 -1.486 1.00 4.93 C ATOM 79 O VAL A 5 43.614 -83.349 -1.790 1.00 6.84 O ATOM 80 CB VAL A 5 46.585 -83.076 -1.699 1.00 2.99 C ATOM 81 CG1 VAL A 5 46.811 -82.182 -2.926 1.00 5.28 C ATOM 82 CG2 VAL A 5 47.917 -83.257 -0.968 1.00 9.13 C ATOM 0 H VAL A 5 45.038 -84.119 0.340 1.00 4.44 H new ATOM 0 HA VAL A 5 45.932 -81.413 -0.518 1.00 3.87 H new ATOM 0 HB VAL A 5 46.204 -84.050 -2.007 1.00 2.99 H new ATOM 0 HG11 VAL A 5 47.535 -82.653 -3.591 1.00 5.28 H new ATOM 0 HG12 VAL A 5 45.868 -82.045 -3.455 1.00 5.28 H new ATOM 0 HG13 VAL A 5 47.190 -81.212 -2.605 1.00 5.28 H new ATOM 0 HG21 VAL A 5 48.636 -83.733 -1.635 1.00 9.13 H new ATOM 0 HG22 VAL A 5 48.298 -82.284 -0.659 1.00 9.13 H new ATOM 0 HG23 VAL A 5 47.767 -83.884 -0.089 1.00 9.13 H new ATOM 92 N LYS A 6 43.777 -81.107 -1.780 1.00 6.04 N ATOM 93 CA LYS A 6 42.510 -80.920 -2.492 1.00 6.12 C ATOM 94 C LYS A 6 42.778 -80.658 -3.975 1.00 6.57 C ATOM 95 O LYS A 6 43.712 -79.937 -4.329 1.00 5.76 O ATOM 96 CB LYS A 6 41.716 -79.735 -1.898 1.00 7.45 C ATOM 97 CG LYS A 6 40.822 -80.207 -0.737 1.00 11.12 C ATOM 98 CD LYS A 6 39.815 -79.113 -0.371 1.00 14.54 C ATOM 99 CE LYS A 6 40.524 -77.765 -0.221 1.00 18.84 C ATOM 100 NZ LYS A 6 39.629 -76.813 0.497 1.00 20.55 N ATOM 0 H LYS A 6 44.264 -80.243 -1.541 1.00 6.04 H new ATOM 0 HA LYS A 6 41.920 -81.830 -2.381 1.00 6.12 H new ATOM 0 HB2 LYS A 6 42.406 -78.969 -1.544 1.00 7.45 H new ATOM 0 HB3 LYS A 6 41.102 -79.277 -2.673 1.00 7.45 H new ATOM 0 HG2 LYS A 6 40.295 -81.118 -1.021 1.00 11.12 H new ATOM 0 HG3 LYS A 6 41.436 -80.451 0.129 1.00 11.12 H new ATOM 0 HD2 LYS A 6 39.047 -79.044 -1.142 1.00 14.54 H new ATOM 0 HD3 LYS A 6 39.310 -79.371 0.560 1.00 14.54 H new ATOM 0 HE2 LYS A 6 41.456 -77.891 0.330 1.00 18.84 H new ATOM 0 HE3 LYS A 6 40.785 -77.367 -1.202 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 40.109 -75.896 0.600 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 38.751 -76.685 -0.046 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 39.402 -77.193 1.438 1.00 20.55 H new ATOM 114 N THR A 7 41.942 -81.248 -4.841 1.00 7.41 N ATOM 115 CA THR A 7 42.082 -81.073 -6.286 1.00 7.48 C ATOM 116 C THR A 7 41.094 -80.032 -6.799 1.00 8.75 C ATOM 117 O THR A 7 40.191 -79.580 -6.094 1.00 8.58 O ATOM 118 CB THR A 7 41.843 -82.391 -7.024 1.00 9.61 C ATOM 119 OG1 THR A 7 40.472 -82.747 -6.943 1.00 11.78 O ATOM 120 CG2 THR A 7 42.706 -83.507 -6.429 1.00 9.17 C ATOM 0 H THR A 7 41.165 -81.848 -4.563 1.00 7.41 H new ATOM 0 HA THR A 7 43.101 -80.735 -6.477 1.00 7.48 H new ATOM 0 HB THR A 7 42.121 -82.258 -8.070 1.00 9.61 H new ATOM 0 HG1 THR A 7 40.128 -82.930 -7.842 1.00 11.78 H new ATOM 0 HG21 THR A 7 42.521 -84.436 -6.968 1.00 9.17 H new ATOM 0 HG22 THR A 7 43.759 -83.239 -6.518 1.00 9.17 H new ATOM 0 HG23 THR A 7 42.453 -83.641 -5.377 1.00 9.17 H new ATOM 128 N LEU A 8 41.311 -79.681 -8.043 1.00 9.84 N ATOM 129 CA LEU A 8 40.470 -78.693 -8.713 1.00 14.15 C ATOM 130 C LEU A 8 39.032 -79.185 -8.833 1.00 17.37 C ATOM 131 O LEU A 8 38.111 -78.382 -8.983 1.00 17.01 O ATOM 132 CB LEU A 8 40.994 -78.415 -10.127 1.00 16.63 C ATOM 133 CG LEU A 8 42.453 -77.956 -10.083 1.00 18.88 C ATOM 134 CD1 LEU A 8 42.936 -77.690 -11.512 1.00 19.31 C ATOM 135 CD2 LEU A 8 42.584 -76.675 -9.241 1.00 18.59 C ATOM 0 H LEU A 8 42.061 -80.060 -8.621 1.00 9.84 H new ATOM 0 HA LEU A 8 40.498 -77.785 -8.111 1.00 14.15 H new ATOM 0 HB2 LEU A 8 40.909 -79.316 -10.735 1.00 16.63 H new ATOM 0 HB3 LEU A 8 40.381 -77.650 -10.603 1.00 16.63 H new ATOM 0 HG LEU A 8 43.063 -78.735 -9.626 1.00 18.88 H new ATOM 0 HD11 LEU A 8 43.975 -77.362 -11.490 1.00 19.31 H new ATOM 0 HD12 LEU A 8 42.857 -78.605 -12.099 1.00 19.31 H new ATOM 0 HD13 LEU A 8 42.320 -76.913 -11.965 1.00 19.31 H new ATOM 0 HD21 LEU A 8 43.627 -76.360 -9.218 1.00 18.59 H new ATOM 0 HD22 LEU A 8 41.976 -75.886 -9.683 1.00 18.59 H new ATOM 0 HD23 LEU A 8 42.242 -76.871 -8.225 1.00 18.59 H new ATOM 147 N THR A 9 38.835 -80.507 -8.805 1.00 18.33 N ATOM 148 CA THR A 9 37.489 -81.068 -8.954 1.00 19.24 C ATOM 149 C THR A 9 36.783 -81.273 -7.616 1.00 19.48 C ATOM 150 O THR A 9 35.630 -81.704 -7.577 1.00 23.14 O ATOM 151 CB THR A 9 37.524 -82.366 -9.762 1.00 18.97 C ATOM 152 OG1 THR A 9 38.191 -83.368 -9.005 1.00 20.24 O ATOM 153 CG2 THR A 9 38.275 -82.136 -11.073 1.00 19.70 C ATOM 0 H THR A 9 39.576 -81.198 -8.683 1.00 18.33 H new ATOM 0 HA THR A 9 36.903 -80.333 -9.505 1.00 19.24 H new ATOM 0 HB THR A 9 36.506 -82.686 -9.982 1.00 18.97 H new ATOM 0 HG1 THR A 9 38.215 -84.203 -9.517 1.00 20.24 H new ATOM 0 HG21 THR A 9 38.298 -83.063 -11.646 1.00 19.70 H new ATOM 0 HG22 THR A 9 37.768 -81.364 -11.652 1.00 19.70 H new ATOM 0 HG23 THR A 9 39.295 -81.817 -10.857 1.00 19.70 H new ATOM 161 N GLY A 10 37.459 -80.926 -6.521 1.00 19.43 N ATOM 162 CA GLY A 10 36.856 -81.042 -5.192 1.00 18.74 C ATOM 163 C GLY A 10 37.168 -82.364 -4.496 1.00 17.62 C ATOM 164 O GLY A 10 36.530 -82.726 -3.507 1.00 19.74 O ATOM 0 H GLY A 10 38.413 -80.566 -6.526 1.00 19.43 H new ATOM 0 HA2 GLY A 10 37.208 -80.220 -4.569 1.00 18.74 H new ATOM 0 HA3 GLY A 10 35.775 -80.934 -5.281 1.00 18.74 H new ATOM 168 N LYS A 11 38.165 -83.073 -5.021 1.00 13.56 N ATOM 169 CA LYS A 11 38.560 -84.353 -4.428 1.00 11.91 C ATOM 170 C LYS A 11 39.624 -84.119 -3.363 1.00 10.18 C ATOM 171 O LYS A 11 40.469 -83.247 -3.533 1.00 9.10 O ATOM 172 CB LYS A 11 39.154 -85.285 -5.489 1.00 13.43 C ATOM 173 CG LYS A 11 39.345 -86.689 -4.913 1.00 16.69 C ATOM 174 CD LYS A 11 39.939 -87.596 -5.993 1.00 17.92 C ATOM 175 CE LYS A 11 40.153 -89.000 -5.427 1.00 20.81 C ATOM 176 NZ LYS A 11 41.042 -89.770 -6.343 1.00 21.93 N ATOM 0 H LYS A 11 38.706 -82.793 -5.839 1.00 13.56 H new ATOM 0 HA LYS A 11 37.670 -84.810 -3.994 1.00 11.91 H new ATOM 0 HB2 LYS A 11 38.495 -85.327 -6.356 1.00 13.43 H new ATOM 0 HB3 LYS A 11 40.111 -84.892 -5.834 1.00 13.43 H new ATOM 0 HG2 LYS A 11 40.005 -86.653 -4.047 1.00 16.69 H new ATOM 0 HG3 LYS A 11 38.390 -87.088 -4.570 1.00 16.69 H new ATOM 0 HD2 LYS A 11 39.271 -87.638 -6.853 1.00 17.92 H new ATOM 0 HD3 LYS A 11 40.886 -87.187 -6.344 1.00 17.92 H new ATOM 0 HE2 LYS A 11 40.599 -88.940 -4.434 1.00 20.81 H new ATOM 0 HE3 LYS A 11 39.196 -89.510 -5.317 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 40.840 -90.786 -6.250 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 40.871 -89.471 -7.325 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 42.036 -89.591 -6.094 1.00 21.93 H new ATOM 190 N THR A 12 39.612 -84.904 -2.280 1.00 9.63 N ATOM 191 CA THR A 12 40.631 -84.751 -1.226 1.00 9.85 C ATOM 192 C THR A 12 41.439 -86.042 -1.102 1.00 11.66 C ATOM 193 O THR A 12 40.867 -87.122 -0.953 1.00 12.33 O ATOM 194 CB THR A 12 39.968 -84.421 0.115 1.00 10.85 C ATOM 195 OG1 THR A 12 39.240 -83.206 -0.006 1.00 10.91 O ATOM 196 CG2 THR A 12 41.059 -84.254 1.176 1.00 9.63 C ATOM 0 H THR A 12 38.925 -85.638 -2.108 1.00 9.63 H new ATOM 0 HA THR A 12 41.297 -83.931 -1.496 1.00 9.85 H new ATOM 0 HB THR A 12 39.289 -85.224 0.402 1.00 10.85 H new ATOM 0 HG1 THR A 12 38.813 -82.994 0.850 1.00 10.91 H new ATOM 0 HG21 THR A 12 40.600 -84.019 2.136 1.00 9.63 H new ATOM 0 HG22 THR A 12 41.627 -85.180 1.263 1.00 9.63 H new ATOM 0 HG23 THR A 12 41.728 -83.444 0.886 1.00 9.63 H new ATOM 204 N ILE A 13 42.772 -85.925 -1.136 1.00 10.42 N ATOM 205 CA ILE A 13 43.648 -87.098 -0.997 1.00 11.84 C ATOM 206 C ILE A 13 44.408 -87.025 0.324 1.00 10.55 C ATOM 207 O ILE A 13 44.889 -85.962 0.715 1.00 11.92 O ATOM 208 CB ILE A 13 44.681 -87.187 -2.148 1.00 14.86 C ATOM 209 CG1 ILE A 13 44.101 -86.508 -3.399 1.00 14.87 C ATOM 210 CG2 ILE A 13 45.010 -88.659 -2.445 1.00 17.08 C ATOM 211 CD1 ILE A 13 44.879 -86.929 -4.653 1.00 16.46 C ATOM 0 H ILE A 13 43.265 -85.040 -1.257 1.00 10.42 H new ATOM 0 HA ILE A 13 43.010 -87.981 -1.029 1.00 11.84 H new ATOM 0 HB ILE A 13 45.600 -86.679 -1.856 1.00 14.86 H new ATOM 0 HG12 ILE A 13 43.050 -86.775 -3.510 1.00 14.87 H new ATOM 0 HG13 ILE A 13 44.144 -85.425 -3.284 1.00 14.87 H new ATOM 0 HG21 ILE A 13 45.737 -88.713 -3.255 1.00 17.08 H new ATOM 0 HG22 ILE A 13 45.426 -89.126 -1.552 1.00 17.08 H new ATOM 0 HG23 ILE A 13 44.100 -89.183 -2.738 1.00 17.08 H new ATOM 0 HD11 ILE A 13 44.453 -86.438 -5.528 1.00 16.46 H new ATOM 0 HD12 ILE A 13 45.924 -86.639 -4.547 1.00 16.46 H new ATOM 0 HD13 ILE A 13 44.813 -88.010 -4.776 1.00 16.46 H new ATOM 223 N THR A 14 44.539 -88.171 0.996 1.00 9.39 N ATOM 224 CA THR A 14 45.273 -88.234 2.257 1.00 9.63 C ATOM 225 C THR A 14 46.660 -88.805 1.987 1.00 11.20 C ATOM 226 O THR A 14 46.796 -89.830 1.320 1.00 11.63 O ATOM 227 CB THR A 14 44.533 -89.125 3.258 1.00 10.38 C ATOM 228 OG1 THR A 14 43.239 -88.589 3.499 1.00 16.30 O ATOM 229 CG2 THR A 14 45.316 -89.183 4.570 1.00 11.66 C ATOM 0 H THR A 14 44.148 -89.062 0.689 1.00 9.39 H new ATOM 0 HA THR A 14 45.356 -87.233 2.681 1.00 9.63 H new ATOM 0 HB THR A 14 44.440 -90.131 2.850 1.00 10.38 H new ATOM 0 HG1 THR A 14 43.323 -87.689 3.878 1.00 16.30 H new ATOM 0 HG21 THR A 14 44.788 -89.818 5.281 1.00 11.66 H new ATOM 0 HG22 THR A 14 46.308 -89.594 4.384 1.00 11.66 H new ATOM 0 HG23 THR A 14 45.411 -88.178 4.982 1.00 11.66 H new ATOM 237 N LEU A 15 47.689 -88.130 2.494 1.00 8.29 N ATOM 238 CA LEU A 15 49.075 -88.569 2.288 1.00 9.03 C ATOM 239 C LEU A 15 49.782 -88.720 3.634 1.00 8.59 C ATOM 240 O LEU A 15 49.545 -87.939 4.556 1.00 7.79 O ATOM 241 CB LEU A 15 49.819 -87.504 1.445 1.00 11.08 C ATOM 242 CG LEU A 15 49.896 -87.878 -0.054 1.00 15.79 C ATOM 243 CD1 LEU A 15 48.609 -87.507 -0.787 1.00 15.88 C ATOM 244 CD2 LEU A 15 51.080 -87.118 -0.669 1.00 15.27 C ATOM 0 H LEU A 15 47.594 -87.280 3.049 1.00 8.29 H new ATOM 0 HA LEU A 15 49.076 -89.529 1.772 1.00 9.03 H new ATOM 0 HB2 LEU A 15 49.313 -86.544 1.551 1.00 11.08 H new ATOM 0 HB3 LEU A 15 50.828 -87.377 1.836 1.00 11.08 H new ATOM 0 HG LEU A 15 50.030 -88.955 -0.151 1.00 15.79 H new ATOM 0 HD11 LEU A 15 48.696 -87.783 -1.838 1.00 15.88 H new ATOM 0 HD12 LEU A 15 47.769 -88.040 -0.340 1.00 15.88 H new ATOM 0 HD13 LEU A 15 48.441 -86.433 -0.707 1.00 15.88 H new ATOM 0 HD21 LEU A 15 51.159 -87.363 -1.728 1.00 15.27 H new ATOM 0 HD22 LEU A 15 50.922 -86.045 -0.555 1.00 15.27 H new ATOM 0 HD23 LEU A 15 52.000 -87.405 -0.161 1.00 15.27 H new ATOM 256 N GLU A 16 50.709 -89.676 3.719 1.00 11.04 N ATOM 257 CA GLU A 16 51.509 -89.852 4.930 1.00 11.50 C ATOM 258 C GLU A 16 52.865 -89.233 4.623 1.00 10.13 C ATOM 259 O GLU A 16 53.523 -89.619 3.657 1.00 9.83 O ATOM 260 CB GLU A 16 51.645 -91.336 5.295 1.00 17.22 C ATOM 261 CG GLU A 16 52.482 -91.492 6.569 1.00 23.33 C ATOM 262 CD GLU A 16 51.704 -90.963 7.769 1.00 26.99 C ATOM 263 OE1 GLU A 16 50.493 -90.862 7.667 1.00 28.86 O ATOM 264 OE2 GLU A 16 52.332 -90.666 8.772 1.00 28.90 O ATOM 0 H GLU A 16 50.922 -90.335 2.970 1.00 11.04 H new ATOM 0 HA GLU A 16 51.040 -89.374 5.790 1.00 11.50 H new ATOM 0 HB2 GLU A 16 50.658 -91.774 5.444 1.00 17.22 H new ATOM 0 HB3 GLU A 16 52.114 -91.879 4.474 1.00 17.22 H new ATOM 0 HG2 GLU A 16 52.735 -92.541 6.722 1.00 23.33 H new ATOM 0 HG3 GLU A 16 53.422 -90.949 6.466 1.00 23.33 H new ATOM 271 N VAL A 17 53.270 -88.247 5.422 1.00 8.99 N ATOM 272 CA VAL A 17 54.540 -87.559 5.192 1.00 8.85 C ATOM 273 C VAL A 17 55.269 -87.269 6.496 1.00 8.04 C ATOM 274 O VAL A 17 54.701 -87.348 7.585 1.00 8.99 O ATOM 275 CB VAL A 17 54.280 -86.230 4.483 1.00 9.78 C ATOM 276 CG1 VAL A 17 53.652 -86.478 3.109 1.00 12.05 C ATOM 277 CG2 VAL A 17 53.332 -85.389 5.343 1.00 10.54 C ATOM 0 H VAL A 17 52.743 -87.909 6.227 1.00 8.99 H new ATOM 0 HA VAL A 17 55.161 -88.214 4.581 1.00 8.85 H new ATOM 0 HB VAL A 17 55.223 -85.701 4.343 1.00 9.78 H new ATOM 0 HG11 VAL A 17 53.472 -85.524 2.614 1.00 12.05 H new ATOM 0 HG12 VAL A 17 54.329 -87.079 2.503 1.00 12.05 H new ATOM 0 HG13 VAL A 17 52.707 -87.008 3.231 1.00 12.05 H new ATOM 0 HG21 VAL A 17 53.139 -84.438 4.847 1.00 10.54 H new ATOM 0 HG22 VAL A 17 52.393 -85.925 5.479 1.00 10.54 H new ATOM 0 HG23 VAL A 17 53.789 -85.205 6.315 1.00 10.54 H new ATOM 287 N GLU A 18 56.531 -86.882 6.346 1.00 7.29 N ATOM 288 CA GLU A 18 57.376 -86.507 7.479 1.00 7.08 C ATOM 289 C GLU A 18 57.786 -85.043 7.281 1.00 6.45 C ATOM 290 O GLU A 18 57.879 -84.600 6.137 1.00 5.28 O ATOM 291 CB GLU A 18 58.612 -87.411 7.531 1.00 10.28 C ATOM 292 CG GLU A 18 58.171 -88.848 7.818 1.00 12.65 C ATOM 293 CD GLU A 18 57.471 -89.416 6.588 1.00 14.15 C ATOM 294 OE1 GLU A 18 57.913 -89.121 5.489 1.00 14.33 O ATOM 295 OE2 GLU A 18 56.503 -90.138 6.762 1.00 18.17 O ATOM 0 H GLU A 18 56.997 -86.819 5.441 1.00 7.29 H new ATOM 0 HA GLU A 18 56.839 -86.624 8.420 1.00 7.08 H new ATOM 0 HB2 GLU A 18 59.151 -87.365 6.585 1.00 10.28 H new ATOM 0 HB3 GLU A 18 59.297 -87.066 8.305 1.00 10.28 H new ATOM 0 HG2 GLU A 18 59.035 -89.461 8.075 1.00 12.65 H new ATOM 0 HG3 GLU A 18 57.499 -88.870 8.676 1.00 12.65 H new ATOM 302 N PRO A 19 58.014 -84.259 8.316 1.00 7.24 N ATOM 303 CA PRO A 19 58.385 -82.835 8.115 1.00 7.07 C ATOM 304 C PRO A 19 59.638 -82.657 7.259 1.00 6.65 C ATOM 305 O PRO A 19 59.832 -81.605 6.646 1.00 6.37 O ATOM 306 CB PRO A 19 58.587 -82.255 9.530 1.00 7.61 C ATOM 307 CG PRO A 19 57.880 -83.224 10.434 1.00 8.16 C ATOM 308 CD PRO A 19 57.955 -84.599 9.749 1.00 7.49 C ATOM 0 HA PRO A 19 57.601 -82.314 7.565 1.00 7.07 H new ATOM 0 HB2 PRO A 19 59.645 -82.177 9.780 1.00 7.61 H new ATOM 0 HB3 PRO A 19 58.165 -81.253 9.613 1.00 7.61 H new ATOM 0 HG2 PRO A 19 58.353 -83.254 11.416 1.00 8.16 H new ATOM 0 HG3 PRO A 19 56.844 -82.924 10.589 1.00 8.16 H new ATOM 0 HD2 PRO A 19 58.834 -85.159 10.066 1.00 7.49 H new ATOM 0 HD3 PRO A 19 57.085 -85.213 9.982 1.00 7.49 H new ATOM 316 N SER A 20 60.492 -83.679 7.238 1.00 6.80 N ATOM 317 CA SER A 20 61.735 -83.617 6.473 1.00 6.28 C ATOM 318 C SER A 20 61.529 -84.014 5.015 1.00 8.45 C ATOM 319 O SER A 20 62.470 -83.959 4.223 1.00 7.26 O ATOM 320 CB SER A 20 62.785 -84.528 7.103 1.00 8.57 C ATOM 321 OG SER A 20 62.226 -85.818 7.314 1.00 11.13 O ATOM 0 H SER A 20 60.347 -84.555 7.739 1.00 6.80 H new ATOM 0 HA SER A 20 62.078 -82.582 6.496 1.00 6.28 H new ATOM 0 HB2 SER A 20 63.657 -84.599 6.453 1.00 8.57 H new ATOM 0 HB3 SER A 20 63.126 -84.108 8.049 1.00 8.57 H new ATOM 0 HG SER A 20 62.900 -86.405 7.717 1.00 11.13 H new ATOM 327 N ASP A 21 60.307 -84.385 4.639 1.00 7.50 N ATOM 328 CA ASP A 21 60.047 -84.745 3.251 1.00 7.70 C ATOM 329 C ASP A 21 60.114 -83.479 2.416 1.00 7.08 C ATOM 330 O ASP A 21 59.661 -82.402 2.829 1.00 8.11 O ATOM 331 CB ASP A 21 58.660 -85.386 3.118 1.00 11.00 C ATOM 332 CG ASP A 21 58.694 -86.836 3.595 1.00 15.32 C ATOM 333 OD1 ASP A 21 59.775 -87.397 3.664 1.00 18.03 O ATOM 334 OD2 ASP A 21 57.634 -87.366 3.885 1.00 14.36 O ATOM 0 H ASP A 21 59.500 -84.443 5.260 1.00 7.50 H new ATOM 0 HA ASP A 21 60.789 -85.466 2.908 1.00 7.70 H new ATOM 0 HB2 ASP A 21 57.934 -84.821 3.703 1.00 11.00 H new ATOM 0 HB3 ASP A 21 58.332 -85.346 2.079 1.00 11.00 H new ATOM 339 N THR A 22 60.658 -83.642 1.209 1.00 5.37 N ATOM 340 CA THR A 22 60.763 -82.544 0.268 1.00 6.01 C ATOM 341 C THR A 22 59.477 -82.425 -0.536 1.00 8.01 C ATOM 342 O THR A 22 58.730 -83.387 -0.682 1.00 8.11 O ATOM 343 CB THR A 22 61.919 -82.755 -0.704 1.00 8.92 C ATOM 344 OG1 THR A 22 61.700 -83.940 -1.455 1.00 10.22 O ATOM 345 CG2 THR A 22 63.254 -82.854 0.038 1.00 9.65 C ATOM 0 H THR A 22 61.031 -84.528 0.867 1.00 5.37 H new ATOM 0 HA THR A 22 60.941 -81.635 0.843 1.00 6.01 H new ATOM 0 HB THR A 22 61.964 -81.896 -1.374 1.00 8.92 H new ATOM 0 HG1 THR A 22 62.443 -84.073 -2.080 1.00 10.22 H new ATOM 0 HG21 THR A 22 64.060 -83.004 -0.681 1.00 9.65 H new ATOM 0 HG22 THR A 22 63.431 -81.933 0.594 1.00 9.65 H new ATOM 0 HG23 THR A 22 63.224 -83.695 0.730 1.00 9.65 H new ATOM 353 N ILE A 23 59.251 -81.243 -1.077 1.00 8.32 N ATOM 354 CA ILE A 23 58.076 -80.996 -1.905 1.00 9.92 C ATOM 355 C ILE A 23 58.115 -81.916 -3.128 1.00 10.01 C ATOM 356 O ILE A 23 57.091 -82.468 -3.524 1.00 8.71 O ATOM 357 CB ILE A 23 58.055 -79.520 -2.304 1.00 10.78 C ATOM 358 CG1 ILE A 23 57.869 -78.635 -1.060 1.00 11.38 C ATOM 359 CG2 ILE A 23 56.948 -79.255 -3.326 1.00 10.90 C ATOM 360 CD1 ILE A 23 56.566 -78.960 -0.326 1.00 12.30 C ATOM 0 H ILE A 23 59.863 -80.436 -0.961 1.00 8.32 H new ATOM 0 HA ILE A 23 57.161 -81.214 -1.354 1.00 9.92 H new ATOM 0 HB ILE A 23 59.010 -79.271 -2.766 1.00 10.78 H new ATOM 0 HG12 ILE A 23 58.713 -78.775 -0.384 1.00 11.38 H new ATOM 0 HG13 ILE A 23 57.868 -77.586 -1.356 1.00 11.38 H new ATOM 0 HG21 ILE A 23 56.949 -78.199 -3.598 1.00 10.90 H new ATOM 0 HG22 ILE A 23 57.123 -79.859 -4.216 1.00 10.90 H new ATOM 0 HG23 ILE A 23 55.983 -79.517 -2.893 1.00 10.90 H new ATOM 0 HD11 ILE A 23 56.470 -78.315 0.547 1.00 12.30 H new ATOM 0 HD12 ILE A 23 55.721 -78.795 -0.994 1.00 12.30 H new ATOM 0 HD13 ILE A 23 56.578 -80.002 -0.007 1.00 12.30 H new ATOM 372 N GLU A 24 59.305 -82.103 -3.706 1.00 9.54 N ATOM 373 CA GLU A 24 59.448 -82.993 -4.862 1.00 11.81 C ATOM 374 C GLU A 24 59.013 -84.400 -4.460 1.00 11.14 C ATOM 375 O GLU A 24 58.381 -85.107 -5.240 1.00 10.62 O ATOM 376 CB GLU A 24 60.901 -83.017 -5.345 1.00 19.24 C ATOM 377 CG GLU A 24 61.021 -83.897 -6.593 1.00 27.76 C ATOM 378 CD GLU A 24 62.467 -83.922 -7.076 1.00 32.92 C ATOM 379 OE1 GLU A 24 63.254 -83.142 -6.565 1.00 34.80 O ATOM 380 OE2 GLU A 24 62.767 -84.719 -7.949 1.00 36.51 O ATOM 0 H GLU A 24 60.170 -81.658 -3.399 1.00 9.54 H new ATOM 0 HA GLU A 24 58.822 -82.628 -5.676 1.00 11.81 H new ATOM 0 HB2 GLU A 24 61.235 -82.004 -5.570 1.00 19.24 H new ATOM 0 HB3 GLU A 24 61.549 -83.399 -4.556 1.00 19.24 H new ATOM 0 HG2 GLU A 24 60.687 -84.910 -6.368 1.00 27.76 H new ATOM 0 HG3 GLU A 24 60.372 -83.515 -7.381 1.00 27.76 H new ATOM 387 N ASN A 25 59.354 -84.797 -3.238 1.00 9.43 N ATOM 388 CA ASN A 25 58.971 -86.127 -2.769 1.00 10.96 C ATOM 389 C ASN A 25 57.453 -86.208 -2.653 1.00 9.68 C ATOM 390 O ASN A 25 56.850 -87.218 -3.006 1.00 9.33 O ATOM 391 CB ASN A 25 59.612 -86.439 -1.423 1.00 16.78 C ATOM 392 CG ASN A 25 61.110 -86.633 -1.605 1.00 22.31 C ATOM 393 OD1 ASN A 25 61.566 -86.998 -2.689 1.00 25.66 O ATOM 394 ND2 ASN A 25 61.902 -86.406 -0.605 1.00 24.70 N ATOM 0 H ASN A 25 59.881 -84.235 -2.569 1.00 9.43 H new ATOM 0 HA ASN A 25 59.324 -86.864 -3.491 1.00 10.96 H new ATOM 0 HB2 ASN A 25 59.423 -85.627 -0.721 1.00 16.78 H new ATOM 0 HB3 ASN A 25 59.168 -87.338 -0.997 1.00 16.78 H new ATOM 0 HD21 ASN A 25 62.909 -86.529 -0.713 1.00 24.70 H new ATOM 0 HD22 ASN A 25 61.519 -86.104 0.291 1.00 24.70 H new ATOM 401 N VAL A 26 56.840 -85.129 -2.169 1.00 6.52 N ATOM 402 CA VAL A 26 55.387 -85.089 -2.031 1.00 5.53 C ATOM 403 C VAL A 26 54.736 -85.211 -3.408 1.00 4.42 C ATOM 404 O VAL A 26 53.775 -85.965 -3.576 1.00 3.40 O ATOM 405 CB VAL A 26 54.938 -83.802 -1.338 1.00 3.86 C ATOM 406 CG1 VAL A 26 53.412 -83.687 -1.388 1.00 7.25 C ATOM 407 CG2 VAL A 26 55.410 -83.807 0.116 1.00 8.12 C ATOM 0 H VAL A 26 57.321 -84.281 -1.869 1.00 6.52 H new ATOM 0 HA VAL A 26 55.072 -85.928 -1.411 1.00 5.53 H new ATOM 0 HB VAL A 26 55.376 -82.948 -1.854 1.00 3.86 H new ATOM 0 HG11 VAL A 26 53.100 -82.768 -0.892 1.00 7.25 H new ATOM 0 HG12 VAL A 26 53.082 -83.669 -2.427 1.00 7.25 H new ATOM 0 HG13 VAL A 26 52.966 -84.542 -0.880 1.00 7.25 H new ATOM 0 HG21 VAL A 26 55.088 -82.888 0.606 1.00 8.12 H new ATOM 0 HG22 VAL A 26 54.981 -84.664 0.635 1.00 8.12 H new ATOM 0 HG23 VAL A 26 56.498 -83.872 0.145 1.00 8.12 H new ATOM 417 N LYS A 27 55.264 -84.487 -4.406 1.00 2.64 N ATOM 418 CA LYS A 27 54.719 -84.556 -5.756 1.00 4.14 C ATOM 419 C LYS A 27 54.817 -85.990 -6.269 1.00 5.58 C ATOM 420 O LYS A 27 53.913 -86.484 -6.939 1.00 4.11 O ATOM 421 CB LYS A 27 55.519 -83.678 -6.720 1.00 3.97 C ATOM 422 CG LYS A 27 55.379 -82.174 -6.401 1.00 7.45 C ATOM 423 CD LYS A 27 55.377 -81.383 -7.727 1.00 9.02 C ATOM 424 CE LYS A 27 55.727 -79.910 -7.463 1.00 12.90 C ATOM 425 NZ LYS A 27 54.705 -79.312 -6.558 1.00 15.47 N ATOM 0 H LYS A 27 56.058 -83.856 -4.299 1.00 2.64 H new ATOM 0 HA LYS A 27 53.685 -84.214 -5.713 1.00 4.14 H new ATOM 0 HB2 LYS A 27 56.571 -83.960 -6.675 1.00 3.97 H new ATOM 0 HB3 LYS A 27 55.182 -83.863 -7.740 1.00 3.97 H new ATOM 0 HG2 LYS A 27 54.457 -81.989 -5.850 1.00 7.45 H new ATOM 0 HG3 LYS A 27 56.201 -81.845 -5.766 1.00 7.45 H new ATOM 0 HD2 LYS A 27 56.097 -81.818 -8.420 1.00 9.02 H new ATOM 0 HD3 LYS A 27 54.397 -81.453 -8.200 1.00 9.02 H new ATOM 0 HE2 LYS A 27 56.716 -79.835 -7.012 1.00 12.90 H new ATOM 0 HE3 LYS A 27 55.763 -79.359 -8.403 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 54.290 -78.472 -7.010 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 53.957 -80.010 -6.370 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 55.154 -79.036 -5.662 1.00 15.47 H new ATOM 439 N ALA A 28 55.936 -86.641 -5.959 1.00 6.61 N ATOM 440 CA ALA A 28 56.158 -88.011 -6.407 1.00 7.74 C ATOM 441 C ALA A 28 55.110 -88.942 -5.810 1.00 9.17 C ATOM 442 O ALA A 28 54.627 -89.854 -6.480 1.00 11.45 O ATOM 443 CB ALA A 28 57.567 -88.480 -6.038 1.00 7.68 C ATOM 0 H ALA A 28 56.696 -86.246 -5.405 1.00 6.61 H new ATOM 0 HA ALA A 28 56.065 -88.036 -7.493 1.00 7.74 H new ATOM 0 HB1 ALA A 28 57.711 -89.504 -6.382 1.00 7.68 H new ATOM 0 HB2 ALA A 28 58.303 -87.831 -6.513 1.00 7.68 H new ATOM 0 HB3 ALA A 28 57.692 -88.439 -4.956 1.00 7.68 H new ATOM 449 N LYS A 29 54.748 -88.699 -4.558 1.00 8.96 N ATOM 450 CA LYS A 29 53.737 -89.520 -3.905 1.00 7.90 C ATOM 451 C LYS A 29 52.393 -89.341 -4.611 1.00 6.92 C ATOM 452 O LYS A 29 51.667 -90.305 -4.829 1.00 6.87 O ATOM 453 CB LYS A 29 53.574 -89.120 -2.437 1.00 10.28 C ATOM 454 CG LYS A 29 54.806 -89.520 -1.622 1.00 14.94 C ATOM 455 CD LYS A 29 54.577 -89.093 -0.171 1.00 19.69 C ATOM 456 CE LYS A 29 55.790 -89.441 0.693 1.00 22.63 C ATOM 457 NZ LYS A 29 57.033 -89.018 -0.013 1.00 24.98 N ATOM 0 H LYS A 29 55.133 -87.951 -3.981 1.00 8.96 H new ATOM 0 HA LYS A 29 54.059 -90.560 -3.959 1.00 7.90 H new ATOM 0 HB2 LYS A 29 53.419 -88.044 -2.364 1.00 10.28 H new ATOM 0 HB3 LYS A 29 52.687 -89.599 -2.022 1.00 10.28 H new ATOM 0 HG2 LYS A 29 54.968 -90.596 -1.681 1.00 14.94 H new ATOM 0 HG3 LYS A 29 55.699 -89.041 -2.023 1.00 14.94 H new ATOM 0 HD2 LYS A 29 54.389 -88.020 -0.128 1.00 19.69 H new ATOM 0 HD3 LYS A 29 53.689 -89.588 0.223 1.00 19.69 H new ATOM 0 HE2 LYS A 29 55.718 -88.942 1.659 1.00 22.63 H new ATOM 0 HE3 LYS A 29 55.816 -90.513 0.889 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 57.806 -88.916 0.676 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 57.292 -89.736 -0.720 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 56.870 -88.107 -0.488 1.00 24.98 H new ATOM 471 N ILE A 30 52.092 -88.096 -5.009 1.00 4.57 N ATOM 472 CA ILE A 30 50.855 -87.794 -5.734 1.00 5.58 C ATOM 473 C ILE A 30 50.864 -88.499 -7.095 1.00 7.26 C ATOM 474 O ILE A 30 49.841 -89.021 -7.529 1.00 9.46 O ATOM 475 CB ILE A 30 50.697 -86.281 -5.905 1.00 5.36 C ATOM 476 CG1 ILE A 30 50.396 -85.675 -4.526 1.00 2.94 C ATOM 477 CG2 ILE A 30 49.541 -85.987 -6.874 1.00 2.78 C ATOM 478 CD1 ILE A 30 50.293 -84.151 -4.620 1.00 2.00 C ATOM 0 H ILE A 30 52.688 -87.286 -4.840 1.00 4.57 H new ATOM 0 HA ILE A 30 50.005 -88.161 -5.159 1.00 5.58 H new ATOM 0 HB ILE A 30 51.609 -85.846 -6.314 1.00 5.36 H new ATOM 0 HG12 ILE A 30 49.464 -86.085 -4.138 1.00 2.94 H new ATOM 0 HG13 ILE A 30 51.182 -85.949 -3.822 1.00 2.94 H new ATOM 0 HG21 ILE A 30 49.431 -84.909 -6.993 1.00 2.78 H new ATOM 0 HG22 ILE A 30 49.754 -86.439 -7.842 1.00 2.78 H new ATOM 0 HG23 ILE A 30 48.616 -86.404 -6.474 1.00 2.78 H new ATOM 0 HD11 ILE A 30 50.079 -83.739 -3.634 1.00 2.00 H new ATOM 0 HD12 ILE A 30 51.236 -83.745 -4.987 1.00 2.00 H new ATOM 0 HD13 ILE A 30 49.490 -83.882 -5.307 1.00 2.00 H new ATOM 490 N GLN A 31 52.015 -88.518 -7.763 1.00 7.06 N ATOM 491 CA GLN A 31 52.122 -89.175 -9.067 1.00 8.67 C ATOM 492 C GLN A 31 51.773 -90.651 -8.922 1.00 10.90 C ATOM 493 O GLN A 31 51.059 -91.225 -9.745 1.00 9.63 O ATOM 494 CB GLN A 31 53.560 -89.044 -9.582 1.00 9.12 C ATOM 495 CG GLN A 31 53.710 -89.782 -10.917 1.00 10.76 C ATOM 496 CD GLN A 31 55.105 -89.545 -11.488 1.00 13.78 C ATOM 497 OE1 GLN A 31 56.060 -89.355 -10.735 1.00 14.48 O ATOM 498 NE2 GLN A 31 55.280 -89.548 -12.781 1.00 14.76 N ATOM 0 H GLN A 31 52.879 -88.091 -7.429 1.00 7.06 H new ATOM 0 HA GLN A 31 51.434 -88.705 -9.770 1.00 8.67 H new ATOM 0 HB2 GLN A 31 53.815 -87.992 -9.708 1.00 9.12 H new ATOM 0 HB3 GLN A 31 54.256 -89.455 -8.850 1.00 9.12 H new ATOM 0 HG2 GLN A 31 53.543 -90.849 -10.773 1.00 10.76 H new ATOM 0 HG3 GLN A 31 52.955 -89.434 -11.622 1.00 10.76 H new ATOM 0 HE21 GLN A 31 54.487 -89.706 -13.403 1.00 14.76 H new ATOM 0 HE22 GLN A 31 56.210 -89.393 -13.170 1.00 14.76 H new ATOM 507 N ASP A 32 52.309 -91.252 -7.880 1.00 10.93 N ATOM 508 CA ASP A 32 52.080 -92.669 -7.640 1.00 14.01 C ATOM 509 C ASP A 32 50.596 -92.960 -7.413 1.00 14.04 C ATOM 510 O ASP A 32 50.083 -93.987 -7.859 1.00 13.39 O ATOM 511 CB ASP A 32 52.880 -93.125 -6.418 1.00 18.01 C ATOM 512 CG ASP A 32 52.655 -94.613 -6.172 1.00 24.33 C ATOM 513 OD1 ASP A 32 53.135 -95.405 -6.966 1.00 26.29 O ATOM 514 OD2 ASP A 32 52.005 -94.939 -5.192 1.00 25.17 O ATOM 0 H ASP A 32 52.901 -90.790 -7.190 1.00 10.93 H new ATOM 0 HA ASP A 32 52.408 -93.217 -8.523 1.00 14.01 H new ATOM 0 HB2 ASP A 32 53.941 -92.930 -6.575 1.00 18.01 H new ATOM 0 HB3 ASP A 32 52.577 -92.553 -5.541 1.00 18.01 H new ATOM 519 N LYS A 33 49.922 -92.077 -6.678 1.00 14.22 N ATOM 520 CA LYS A 33 48.509 -92.276 -6.350 1.00 14.00 C ATOM 521 C LYS A 33 47.544 -91.869 -7.475 1.00 12.37 C ATOM 522 O LYS A 33 46.531 -92.538 -7.679 1.00 12.17 O ATOM 523 CB LYS A 33 48.139 -91.475 -5.093 1.00 18.62 C ATOM 524 CG LYS A 33 49.096 -91.804 -3.916 1.00 24.00 C ATOM 525 CD LYS A 33 48.292 -92.074 -2.637 1.00 27.61 C ATOM 526 CE LYS A 33 49.223 -92.025 -1.423 1.00 27.64 C ATOM 527 NZ LYS A 33 48.480 -92.462 -0.207 1.00 30.06 N ATOM 0 H LYS A 33 50.328 -91.221 -6.300 1.00 14.22 H new ATOM 0 HA LYS A 33 48.397 -93.348 -6.190 1.00 14.00 H new ATOM 0 HB2 LYS A 33 48.182 -90.408 -5.313 1.00 18.62 H new ATOM 0 HB3 LYS A 33 47.112 -91.700 -4.804 1.00 18.62 H new ATOM 0 HG2 LYS A 33 49.702 -92.675 -4.164 1.00 24.00 H new ATOM 0 HG3 LYS A 33 49.783 -90.973 -3.754 1.00 24.00 H new ATOM 0 HD2 LYS A 33 47.500 -91.333 -2.530 1.00 27.61 H new ATOM 0 HD3 LYS A 33 47.809 -93.049 -2.698 1.00 27.61 H new ATOM 0 HE2 LYS A 33 50.085 -92.671 -1.587 1.00 27.64 H new ATOM 0 HE3 LYS A 33 49.604 -91.013 -1.285 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 49.113 -92.428 0.617 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 47.671 -91.828 -0.048 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 48.137 -93.435 -0.341 1.00 30.06 H new ATOM 541 N GLU A 34 47.791 -90.734 -8.136 1.00 10.11 N ATOM 542 CA GLU A 34 46.846 -90.223 -9.152 1.00 10.07 C ATOM 543 C GLU A 34 47.330 -90.285 -10.608 1.00 9.32 C ATOM 544 O GLU A 34 46.537 -90.114 -11.534 1.00 11.61 O ATOM 545 CB GLU A 34 46.499 -88.777 -8.766 1.00 14.77 C ATOM 546 CG GLU A 34 45.692 -88.795 -7.459 1.00 18.75 C ATOM 547 CD GLU A 34 44.298 -89.370 -7.701 1.00 22.28 C ATOM 548 OE1 GLU A 34 43.872 -89.379 -8.844 1.00 21.95 O ATOM 549 OE2 GLU A 34 43.679 -89.797 -6.739 1.00 25.19 O ATOM 0 H GLU A 34 48.619 -90.156 -7.995 1.00 10.11 H new ATOM 0 HA GLU A 34 45.979 -90.884 -9.140 1.00 10.07 H new ATOM 0 HB2 GLU A 34 47.409 -88.191 -8.640 1.00 14.77 H new ATOM 0 HB3 GLU A 34 45.922 -88.302 -9.560 1.00 14.77 H new ATOM 0 HG2 GLU A 34 46.213 -89.392 -6.711 1.00 18.75 H new ATOM 0 HG3 GLU A 34 45.611 -87.784 -7.060 1.00 18.75 H new ATOM 556 N GLY A 35 48.611 -90.566 -10.809 1.00 7.22 N ATOM 557 CA GLY A 35 49.149 -90.687 -12.168 1.00 6.29 C ATOM 558 C GLY A 35 49.462 -89.334 -12.814 1.00 6.93 C ATOM 559 O GLY A 35 49.736 -89.253 -14.011 1.00 7.41 O ATOM 0 H GLY A 35 49.292 -90.713 -10.064 1.00 7.22 H new ATOM 0 HA2 GLY A 35 50.058 -91.288 -12.140 1.00 6.29 H new ATOM 0 HA3 GLY A 35 48.431 -91.222 -12.790 1.00 6.29 H new ATOM 563 N ILE A 36 49.416 -88.282 -12.010 1.00 5.86 N ATOM 564 CA ILE A 36 49.696 -86.931 -12.506 1.00 6.07 C ATOM 565 C ILE A 36 51.215 -86.697 -12.512 1.00 6.36 C ATOM 566 O ILE A 36 51.875 -86.973 -11.510 1.00 6.18 O ATOM 567 CB ILE A 36 49.027 -85.902 -11.583 1.00 7.47 C ATOM 568 CG1 ILE A 36 47.532 -86.243 -11.386 1.00 8.52 C ATOM 569 CG2 ILE A 36 49.145 -84.507 -12.207 1.00 7.36 C ATOM 570 CD1 ILE A 36 47.032 -85.624 -10.076 1.00 9.49 C ATOM 0 H ILE A 36 49.190 -88.331 -11.017 1.00 5.86 H new ATOM 0 HA ILE A 36 49.305 -86.824 -13.518 1.00 6.07 H new ATOM 0 HB ILE A 36 49.527 -85.923 -10.615 1.00 7.47 H new ATOM 0 HG12 ILE A 36 46.949 -85.864 -12.225 1.00 8.52 H new ATOM 0 HG13 ILE A 36 47.395 -87.324 -11.365 1.00 8.52 H new ATOM 0 HG21 ILE A 36 48.671 -83.775 -11.554 1.00 7.36 H new ATOM 0 HG22 ILE A 36 50.197 -84.253 -12.333 1.00 7.36 H new ATOM 0 HG23 ILE A 36 48.651 -84.500 -13.179 1.00 7.36 H new ATOM 0 HD11 ILE A 36 45.978 -85.865 -9.939 1.00 9.49 H new ATOM 0 HD12 ILE A 36 47.608 -86.024 -9.241 1.00 9.49 H new ATOM 0 HD13 ILE A 36 47.154 -84.542 -10.115 1.00 9.49 H new ATOM 582 N PRO A 37 51.799 -86.216 -13.595 1.00 8.65 N ATOM 583 CA PRO A 37 53.278 -85.989 -13.648 1.00 9.18 C ATOM 584 C PRO A 37 53.709 -84.739 -12.835 1.00 9.85 C ATOM 585 O PRO A 37 53.087 -83.684 -12.954 1.00 8.51 O ATOM 586 CB PRO A 37 53.553 -85.820 -15.144 1.00 11.42 C ATOM 587 CG PRO A 37 52.303 -85.199 -15.656 1.00 9.27 C ATOM 588 CD PRO A 37 51.157 -85.840 -14.871 1.00 8.33 C ATOM 0 HA PRO A 37 53.845 -86.806 -13.201 1.00 9.18 H new ATOM 0 HB2 PRO A 37 54.420 -85.185 -15.324 1.00 11.42 H new ATOM 0 HB3 PRO A 37 53.753 -86.777 -15.626 1.00 11.42 H new ATOM 0 HG2 PRO A 37 52.317 -84.119 -15.512 1.00 9.27 H new ATOM 0 HG3 PRO A 37 52.190 -85.376 -16.725 1.00 9.27 H new ATOM 0 HD2 PRO A 37 50.333 -85.143 -14.718 1.00 8.33 H new ATOM 0 HD3 PRO A 37 50.749 -86.708 -15.389 1.00 8.33 H new ATOM 596 N PRO A 38 54.749 -84.837 -12.003 1.00 8.71 N ATOM 597 CA PRO A 38 55.233 -83.685 -11.161 1.00 9.08 C ATOM 598 C PRO A 38 55.453 -82.368 -11.923 1.00 9.28 C ATOM 599 O PRO A 38 55.322 -81.295 -11.334 1.00 6.50 O ATOM 600 CB PRO A 38 56.572 -84.176 -10.593 1.00 10.31 C ATOM 601 CG PRO A 38 56.465 -85.660 -10.565 1.00 10.81 C ATOM 602 CD PRO A 38 55.573 -86.049 -11.747 1.00 12.00 C ATOM 0 HA PRO A 38 54.477 -83.437 -10.416 1.00 9.08 H new ATOM 0 HB2 PRO A 38 57.406 -83.853 -11.216 1.00 10.31 H new ATOM 0 HB3 PRO A 38 56.747 -83.775 -9.595 1.00 10.31 H new ATOM 0 HG2 PRO A 38 57.448 -86.122 -10.651 1.00 10.81 H new ATOM 0 HG3 PRO A 38 56.034 -86.001 -9.624 1.00 10.81 H new ATOM 0 HD2 PRO A 38 56.166 -86.318 -12.621 1.00 12.00 H new ATOM 0 HD3 PRO A 38 54.949 -86.910 -11.508 1.00 12.00 H new ATOM 610 N ASP A 39 55.817 -82.429 -13.193 1.00 11.20 N ATOM 611 CA ASP A 39 56.081 -81.203 -13.949 1.00 14.96 C ATOM 612 C ASP A 39 54.792 -80.444 -14.255 1.00 13.99 C ATOM 613 O ASP A 39 54.825 -79.259 -14.583 1.00 13.75 O ATOM 614 CB ASP A 39 56.822 -81.548 -15.243 1.00 24.16 C ATOM 615 CG ASP A 39 57.288 -80.274 -15.940 1.00 31.06 C ATOM 616 OD1 ASP A 39 57.031 -79.205 -15.413 1.00 35.55 O ATOM 617 OD2 ASP A 39 57.894 -80.387 -16.993 1.00 34.22 O ATOM 0 H ASP A 39 55.937 -83.294 -13.720 1.00 11.20 H new ATOM 0 HA ASP A 39 56.705 -80.550 -13.338 1.00 14.96 H new ATOM 0 HB2 ASP A 39 57.679 -82.184 -15.021 1.00 24.16 H new ATOM 0 HB3 ASP A 39 56.167 -82.115 -15.905 1.00 24.16 H new ATOM 622 N GLN A 40 53.655 -81.131 -14.150 1.00 11.60 N ATOM 623 CA GLN A 40 52.358 -80.506 -14.424 1.00 10.76 C ATOM 624 C GLN A 40 51.639 -80.101 -13.142 1.00 8.01 C ATOM 625 O GLN A 40 50.514 -79.602 -13.183 1.00 8.96 O ATOM 626 CB GLN A 40 51.463 -81.459 -15.210 1.00 11.14 C ATOM 627 CG GLN A 40 52.082 -81.736 -16.579 1.00 14.85 C ATOM 628 CD GLN A 40 52.027 -80.483 -17.447 1.00 16.11 C ATOM 629 OE1 GLN A 40 52.980 -79.704 -17.476 1.00 20.52 O ATOM 630 NE2 GLN A 40 50.968 -80.249 -18.171 1.00 18.16 N ATOM 0 H GLN A 40 53.603 -82.113 -13.879 1.00 11.60 H new ATOM 0 HA GLN A 40 52.556 -79.608 -15.010 1.00 10.76 H new ATOM 0 HB2 GLN A 40 51.339 -82.392 -14.661 1.00 11.14 H new ATOM 0 HB3 GLN A 40 50.470 -81.025 -15.330 1.00 11.14 H new ATOM 0 HG2 GLN A 40 53.116 -82.059 -16.460 1.00 14.85 H new ATOM 0 HG3 GLN A 40 51.548 -82.550 -17.069 1.00 14.85 H new ATOM 0 HE21 GLN A 40 50.180 -80.896 -18.145 1.00 18.16 H new ATOM 0 HE22 GLN A 40 50.928 -79.419 -18.763 1.00 18.16 H new ATOM 639 N GLN A 41 52.271 -80.365 -12.005 1.00 6.52 N ATOM 640 CA GLN A 41 51.654 -80.070 -10.708 1.00 3.87 C ATOM 641 C GLN A 41 52.252 -78.859 -9.999 1.00 4.79 C ATOM 642 O GLN A 41 53.469 -78.678 -9.946 1.00 6.34 O ATOM 643 CB GLN A 41 51.819 -81.285 -9.792 1.00 4.20 C ATOM 644 CG GLN A 41 50.903 -82.414 -10.246 1.00 3.20 C ATOM 645 CD GLN A 41 51.044 -83.595 -9.291 1.00 4.89 C ATOM 646 OE1 GLN A 41 50.609 -83.521 -8.143 1.00 5.21 O ATOM 647 NE2 GLN A 41 51.631 -84.686 -9.700 1.00 7.13 N ATOM 0 H GLN A 41 53.202 -80.779 -11.949 1.00 6.52 H new ATOM 0 HA GLN A 41 50.608 -79.841 -10.911 1.00 3.87 H new ATOM 0 HB2 GLN A 41 52.856 -81.621 -9.804 1.00 4.20 H new ATOM 0 HB3 GLN A 41 51.586 -81.009 -8.764 1.00 4.20 H new ATOM 0 HG2 GLN A 41 49.868 -82.071 -10.268 1.00 3.20 H new ATOM 0 HG3 GLN A 41 51.159 -82.720 -11.260 1.00 3.20 H new ATOM 0 HE21 GLN A 41 51.991 -84.745 -10.653 1.00 7.13 H new ATOM 0 HE22 GLN A 41 51.730 -85.480 -9.067 1.00 7.13 H new ATOM 656 N ARG A 42 51.358 -78.076 -9.394 1.00 5.73 N ATOM 657 CA ARG A 42 51.734 -76.909 -8.600 1.00 6.97 C ATOM 658 C ARG A 42 51.089 -77.043 -7.225 1.00 7.15 C ATOM 659 O ARG A 42 49.871 -77.170 -7.117 1.00 7.33 O ATOM 660 CB ARG A 42 51.268 -75.611 -9.264 1.00 13.23 C ATOM 661 CG ARG A 42 52.090 -75.345 -10.520 1.00 21.27 C ATOM 662 CD ARG A 42 51.613 -74.047 -11.172 1.00 26.14 C ATOM 663 NE ARG A 42 52.385 -73.777 -12.380 1.00 32.26 N ATOM 664 CZ ARG A 42 52.462 -72.552 -12.888 1.00 34.32 C ATOM 665 NH1 ARG A 42 51.582 -71.649 -12.551 1.00 35.30 N ATOM 666 NH2 ARG A 42 53.418 -72.252 -13.723 1.00 36.39 N ATOM 0 H ARG A 42 50.352 -78.235 -9.442 1.00 5.73 H new ATOM 0 HA ARG A 42 52.820 -76.866 -8.517 1.00 6.97 H new ATOM 0 HB2 ARG A 42 50.211 -75.682 -9.519 1.00 13.23 H new ATOM 0 HB3 ARG A 42 51.372 -74.779 -8.568 1.00 13.23 H new ATOM 0 HG2 ARG A 42 53.148 -75.271 -10.267 1.00 21.27 H new ATOM 0 HG3 ARG A 42 51.987 -76.175 -11.218 1.00 21.27 H new ATOM 0 HD2 ARG A 42 50.554 -74.123 -11.418 1.00 26.14 H new ATOM 0 HD3 ARG A 42 51.719 -73.219 -10.471 1.00 26.14 H new ATOM 0 HE ARG A 42 52.875 -74.543 -12.843 1.00 32.26 H new ATOM 0 HH11 ARG A 42 50.835 -71.884 -11.897 1.00 35.30 H new ATOM 0 HH12 ARG A 42 51.641 -70.708 -12.941 1.00 35.30 H new ATOM 0 HH21 ARG A 42 54.106 -72.958 -13.986 1.00 36.39 H new ATOM 0 HH22 ARG A 42 53.478 -71.312 -14.113 1.00 36.39 H new ATOM 680 N LEU A 43 51.904 -77.025 -6.173 1.00 4.65 N ATOM 681 CA LEU A 43 51.395 -77.157 -4.804 1.00 3.51 C ATOM 682 C LEU A 43 51.385 -75.803 -4.119 1.00 5.56 C ATOM 683 O LEU A 43 52.368 -75.063 -4.153 1.00 4.19 O ATOM 684 CB LEU A 43 52.264 -78.158 -4.031 1.00 3.74 C ATOM 685 CG LEU A 43 52.065 -79.592 -4.544 1.00 6.32 C ATOM 686 CD1 LEU A 43 53.100 -80.496 -3.870 1.00 9.55 C ATOM 687 CD2 LEU A 43 50.652 -80.097 -4.192 1.00 6.41 C ATOM 0 H LEU A 43 52.917 -76.921 -6.238 1.00 4.65 H new ATOM 0 HA LEU A 43 50.371 -77.530 -4.828 1.00 3.51 H new ATOM 0 HB2 LEU A 43 53.313 -77.879 -4.126 1.00 3.74 H new ATOM 0 HB3 LEU A 43 52.017 -78.113 -2.970 1.00 3.74 H new ATOM 0 HG LEU A 43 52.185 -79.609 -5.627 1.00 6.32 H new ATOM 0 HD11 LEU A 43 52.974 -81.520 -4.223 1.00 9.55 H new ATOM 0 HD12 LEU A 43 54.103 -80.148 -4.117 1.00 9.55 H new ATOM 0 HD13 LEU A 43 52.961 -80.465 -2.789 1.00 9.55 H new ATOM 0 HD21 LEU A 43 50.527 -81.114 -4.562 1.00 6.41 H new ATOM 0 HD22 LEU A 43 50.521 -80.086 -3.110 1.00 6.41 H new ATOM 0 HD23 LEU A 43 49.908 -79.448 -4.654 1.00 6.41 H new ATOM 699 N ILE A 44 50.239 -75.475 -3.526 1.00 4.58 N ATOM 700 CA ILE A 44 50.061 -74.190 -2.858 1.00 5.55 C ATOM 701 C ILE A 44 49.581 -74.366 -1.423 1.00 5.46 C ATOM 702 O ILE A 44 48.678 -75.158 -1.143 1.00 6.04 O ATOM 703 CB ILE A 44 49.055 -73.356 -3.665 1.00 6.80 C ATOM 704 CG1 ILE A 44 49.519 -73.336 -5.152 1.00 10.31 C ATOM 705 CG2 ILE A 44 48.980 -71.935 -3.082 1.00 7.39 C ATOM 706 CD1 ILE A 44 49.168 -72.016 -5.848 1.00 13.90 C ATOM 0 H ILE A 44 49.420 -76.082 -3.495 1.00 4.58 H new ATOM 0 HA ILE A 44 51.021 -73.677 -2.811 1.00 5.55 H new ATOM 0 HB ILE A 44 48.057 -73.791 -3.610 1.00 6.80 H new ATOM 0 HG12 ILE A 44 50.597 -73.494 -5.197 1.00 10.31 H new ATOM 0 HG13 ILE A 44 49.053 -74.163 -5.688 1.00 10.31 H new ATOM 0 HG21 ILE A 44 48.266 -71.344 -3.655 1.00 7.39 H new ATOM 0 HG22 ILE A 44 48.658 -71.985 -2.042 1.00 7.39 H new ATOM 0 HG23 ILE A 44 49.963 -71.468 -3.135 1.00 7.39 H new ATOM 0 HD11 ILE A 44 49.511 -72.048 -6.882 1.00 13.90 H new ATOM 0 HD12 ILE A 44 48.088 -71.870 -5.828 1.00 13.90 H new ATOM 0 HD13 ILE A 44 49.656 -71.190 -5.330 1.00 13.90 H new ATOM 718 N PHE A 45 50.191 -73.594 -0.524 1.00 6.75 N ATOM 719 CA PHE A 45 49.831 -73.624 0.892 1.00 4.70 C ATOM 720 C PHE A 45 49.795 -72.203 1.441 1.00 6.34 C ATOM 721 O PHE A 45 50.745 -71.437 1.277 1.00 5.45 O ATOM 722 CB PHE A 45 50.836 -74.466 1.682 1.00 5.51 C ATOM 723 CG PHE A 45 50.514 -74.388 3.156 1.00 5.98 C ATOM 724 CD1 PHE A 45 49.627 -75.308 3.729 1.00 5.87 C ATOM 725 CD2 PHE A 45 51.101 -73.394 3.948 1.00 6.86 C ATOM 726 CE1 PHE A 45 49.328 -75.233 5.095 1.00 6.64 C ATOM 727 CE2 PHE A 45 50.802 -73.319 5.314 1.00 6.68 C ATOM 728 CZ PHE A 45 49.916 -74.239 5.887 1.00 6.84 C ATOM 0 H PHE A 45 50.939 -72.939 -0.753 1.00 6.75 H new ATOM 0 HA PHE A 45 48.845 -74.076 0.996 1.00 4.70 H new ATOM 0 HB2 PHE A 45 50.801 -75.502 1.346 1.00 5.51 H new ATOM 0 HB3 PHE A 45 51.849 -74.106 1.501 1.00 5.51 H new ATOM 0 HD1 PHE A 45 49.174 -76.075 3.118 1.00 5.87 H new ATOM 0 HD2 PHE A 45 51.785 -72.685 3.505 1.00 6.86 H new ATOM 0 HE1 PHE A 45 48.644 -75.942 5.538 1.00 6.64 H new ATOM 0 HE2 PHE A 45 51.255 -72.552 5.925 1.00 6.68 H new ATOM 0 HZ PHE A 45 49.686 -74.182 6.941 1.00 6.84 H new ATOM 738 N ALA A 46 48.697 -71.863 2.098 1.00 6.53 N ATOM 739 CA ALA A 46 48.531 -70.540 2.685 1.00 7.15 C ATOM 740 C ALA A 46 48.844 -69.427 1.686 1.00 9.00 C ATOM 741 O ALA A 46 49.410 -68.395 2.045 1.00 11.15 O ATOM 742 CB ALA A 46 49.403 -70.422 3.937 1.00 8.99 C ATOM 0 H ALA A 46 47.903 -72.488 2.239 1.00 6.53 H new ATOM 0 HA ALA A 46 47.485 -70.419 2.966 1.00 7.15 H new ATOM 0 HB1 ALA A 46 49.278 -69.432 4.375 1.00 8.99 H new ATOM 0 HB2 ALA A 46 49.104 -71.180 4.661 1.00 8.99 H new ATOM 0 HB3 ALA A 46 50.449 -70.570 3.667 1.00 8.99 H new ATOM 748 N GLY A 47 48.410 -69.627 0.440 1.00 9.35 N ATOM 749 CA GLY A 47 48.588 -68.610 -0.595 1.00 11.68 C ATOM 750 C GLY A 47 49.985 -68.579 -1.212 1.00 11.14 C ATOM 751 O GLY A 47 50.250 -67.739 -2.072 1.00 13.93 O ATOM 0 H GLY A 47 47.938 -70.475 0.126 1.00 9.35 H new ATOM 0 HA2 GLY A 47 47.858 -68.782 -1.386 1.00 11.68 H new ATOM 0 HA3 GLY A 47 48.371 -67.631 -0.167 1.00 11.68 H new ATOM 755 N LYS A 48 50.895 -69.461 -0.776 1.00 10.47 N ATOM 756 CA LYS A 48 52.266 -69.463 -1.313 1.00 8.82 C ATOM 757 C LYS A 48 52.554 -70.728 -2.123 1.00 7.68 C ATOM 758 O LYS A 48 52.196 -71.832 -1.714 1.00 6.47 O ATOM 759 CB LYS A 48 53.287 -69.390 -0.166 1.00 9.74 C ATOM 760 CG LYS A 48 52.921 -68.267 0.816 1.00 14.14 C ATOM 761 CD LYS A 48 53.649 -68.489 2.146 1.00 16.32 C ATOM 762 CE LYS A 48 55.159 -68.389 1.932 1.00 20.04 C ATOM 763 NZ LYS A 48 55.834 -68.216 3.250 1.00 23.92 N ATOM 0 H LYS A 48 50.714 -70.171 -0.066 1.00 10.47 H new ATOM 0 HA LYS A 48 52.354 -68.593 -1.963 1.00 8.82 H new ATOM 0 HB2 LYS A 48 53.319 -70.344 0.360 1.00 9.74 H new ATOM 0 HB3 LYS A 48 54.284 -69.216 -0.571 1.00 9.74 H new ATOM 0 HG2 LYS A 48 53.196 -67.299 0.396 1.00 14.14 H new ATOM 0 HG3 LYS A 48 51.843 -68.249 0.978 1.00 14.14 H new ATOM 0 HD2 LYS A 48 53.326 -67.747 2.876 1.00 16.32 H new ATOM 0 HD3 LYS A 48 53.394 -69.468 2.552 1.00 16.32 H new ATOM 0 HE2 LYS A 48 55.528 -69.287 1.437 1.00 20.04 H new ATOM 0 HE3 LYS A 48 55.390 -67.547 1.279 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 56.862 -68.148 3.107 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 55.489 -67.347 3.705 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 55.623 -69.033 3.858 1.00 23.92 H new ATOM 777 N GLN A 49 53.241 -70.561 -3.256 1.00 8.89 N ATOM 778 CA GLN A 49 53.610 -71.709 -4.082 1.00 7.18 C ATOM 779 C GLN A 49 54.818 -72.393 -3.443 1.00 8.23 C ATOM 780 O GLN A 49 55.808 -71.736 -3.121 1.00 9.70 O ATOM 781 CB GLN A 49 53.950 -71.260 -5.507 1.00 11.67 C ATOM 782 CG GLN A 49 52.674 -70.825 -6.230 1.00 15.82 C ATOM 783 CD GLN A 49 53.016 -70.306 -7.623 1.00 20.21 C ATOM 784 OE1 GLN A 49 52.548 -70.853 -8.621 1.00 23.23 O ATOM 785 NE2 GLN A 49 53.806 -69.275 -7.750 1.00 20.67 N ATOM 0 H GLN A 49 53.548 -69.657 -3.616 1.00 8.89 H new ATOM 0 HA GLN A 49 52.773 -72.404 -4.141 1.00 7.18 H new ATOM 0 HB2 GLN A 49 54.662 -70.435 -5.478 1.00 11.67 H new ATOM 0 HB3 GLN A 49 54.428 -72.075 -6.051 1.00 11.67 H new ATOM 0 HG2 GLN A 49 51.984 -71.665 -6.305 1.00 15.82 H new ATOM 0 HG3 GLN A 49 52.168 -70.048 -5.657 1.00 15.82 H new ATOM 0 HE21 GLN A 49 54.193 -68.823 -6.921 1.00 20.67 H new ATOM 0 HE22 GLN A 49 54.037 -68.921 -8.678 1.00 20.67 H new ATOM 794 N LEU A 50 54.735 -73.708 -3.254 1.00 6.51 N ATOM 795 CA LEU A 50 55.835 -74.456 -2.642 1.00 7.41 C ATOM 796 C LEU A 50 56.860 -74.894 -3.694 1.00 8.27 C ATOM 797 O LEU A 50 56.496 -75.347 -4.779 1.00 8.34 O ATOM 798 CB LEU A 50 55.284 -75.688 -1.920 1.00 7.13 C ATOM 799 CG LEU A 50 54.158 -75.275 -0.967 1.00 7.53 C ATOM 800 CD1 LEU A 50 53.564 -76.526 -0.312 1.00 8.14 C ATOM 801 CD2 LEU A 50 54.706 -74.332 0.115 1.00 9.11 C ATOM 0 H LEU A 50 53.927 -74.275 -3.512 1.00 6.51 H new ATOM 0 HA LEU A 50 56.335 -73.801 -1.928 1.00 7.41 H new ATOM 0 HB2 LEU A 50 54.910 -76.409 -2.647 1.00 7.13 H new ATOM 0 HB3 LEU A 50 56.081 -76.180 -1.363 1.00 7.13 H new ATOM 0 HG LEU A 50 53.382 -74.754 -1.529 1.00 7.53 H new ATOM 0 HD11 LEU A 50 52.762 -76.235 0.367 1.00 8.14 H new ATOM 0 HD12 LEU A 50 53.166 -77.186 -1.083 1.00 8.14 H new ATOM 0 HD13 LEU A 50 54.341 -77.048 0.246 1.00 8.14 H new ATOM 0 HD21 LEU A 50 53.899 -74.043 0.788 1.00 9.11 H new ATOM 0 HD22 LEU A 50 55.486 -74.842 0.681 1.00 9.11 H new ATOM 0 HD23 LEU A 50 55.122 -73.441 -0.356 1.00 9.11 H new ATOM 813 N GLU A 51 58.149 -74.736 -3.364 1.00 9.43 N ATOM 814 CA GLU A 51 59.226 -75.100 -4.300 1.00 11.90 C ATOM 815 C GLU A 51 59.707 -76.540 -4.099 1.00 11.49 C ATOM 816 O GLU A 51 59.639 -77.083 -2.999 1.00 9.88 O ATOM 817 CB GLU A 51 60.403 -74.133 -4.156 1.00 16.56 C ATOM 818 CG GLU A 51 60.001 -72.760 -4.701 1.00 26.06 C ATOM 819 CD GLU A 51 61.163 -71.781 -4.565 1.00 29.86 C ATOM 820 OE1 GLU A 51 62.121 -72.119 -3.889 1.00 32.13 O ATOM 821 OE2 GLU A 51 61.079 -70.709 -5.141 1.00 33.44 O ATOM 0 H GLU A 51 58.470 -74.364 -2.470 1.00 9.43 H new ATOM 0 HA GLU A 51 58.814 -75.029 -5.307 1.00 11.90 H new ATOM 0 HB2 GLU A 51 60.694 -74.050 -3.109 1.00 16.56 H new ATOM 0 HB3 GLU A 51 61.269 -74.513 -4.698 1.00 16.56 H new ATOM 0 HG2 GLU A 51 59.709 -72.847 -5.748 1.00 26.06 H new ATOM 0 HG3 GLU A 51 59.134 -72.384 -4.158 1.00 26.06 H new ATOM 828 N ASP A 52 60.168 -77.149 -5.202 1.00 12.71 N ATOM 829 CA ASP A 52 60.633 -78.542 -5.186 1.00 16.56 C ATOM 830 C ASP A 52 61.917 -78.750 -4.367 1.00 15.83 C ATOM 831 O ASP A 52 62.219 -79.878 -3.978 1.00 17.21 O ATOM 832 CB ASP A 52 60.853 -79.025 -6.623 1.00 21.05 C ATOM 833 CG ASP A 52 59.516 -79.179 -7.336 1.00 25.12 C ATOM 834 OD1 ASP A 52 59.069 -78.215 -7.936 1.00 25.82 O ATOM 835 OD2 ASP A 52 58.960 -80.261 -7.269 1.00 28.37 O ATOM 0 H ASP A 52 60.228 -76.698 -6.115 1.00 12.71 H new ATOM 0 HA ASP A 52 59.854 -79.127 -4.697 1.00 16.56 H new ATOM 0 HB2 ASP A 52 61.481 -78.315 -7.161 1.00 21.05 H new ATOM 0 HB3 ASP A 52 61.382 -79.978 -6.617 1.00 21.05 H new ATOM 840 N GLY A 53 62.682 -77.690 -4.119 1.00 15.00 N ATOM 841 CA GLY A 53 63.937 -77.820 -3.357 1.00 11.77 C ATOM 842 C GLY A 53 63.766 -77.537 -1.855 1.00 11.10 C ATOM 843 O GLY A 53 64.747 -77.559 -1.112 1.00 11.25 O ATOM 0 H GLY A 53 62.466 -76.742 -4.426 1.00 15.00 H new ATOM 0 HA2 GLY A 53 64.331 -78.828 -3.488 1.00 11.77 H new ATOM 0 HA3 GLY A 53 64.677 -77.133 -3.768 1.00 11.77 H new ATOM 847 N ARG A 54 62.541 -77.280 -1.409 1.00 8.53 N ATOM 848 CA ARG A 54 62.294 -77.004 0.024 1.00 9.05 C ATOM 849 C ARG A 54 61.506 -78.148 0.688 1.00 8.96 C ATOM 850 O ARG A 54 60.956 -79.010 0.001 1.00 11.60 O ATOM 851 CB ARG A 54 61.499 -75.709 0.151 1.00 7.97 C ATOM 852 CG ARG A 54 62.263 -74.499 -0.418 1.00 9.62 C ATOM 853 CD ARG A 54 63.647 -74.346 0.227 1.00 12.20 C ATOM 854 NE ARG A 54 64.190 -73.024 -0.072 1.00 18.23 N ATOM 855 CZ ARG A 54 64.862 -72.791 -1.196 1.00 22.08 C ATOM 856 NH1 ARG A 54 65.586 -73.735 -1.732 1.00 25.50 N ATOM 857 NH2 ARG A 54 64.797 -71.618 -1.765 1.00 23.38 N ATOM 0 H ARG A 54 61.709 -77.254 -1.998 1.00 8.53 H new ATOM 0 HA ARG A 54 63.256 -76.915 0.528 1.00 9.05 H new ATOM 0 HB2 ARG A 54 60.549 -75.815 -0.372 1.00 7.97 H new ATOM 0 HB3 ARG A 54 61.267 -75.529 1.201 1.00 7.97 H new ATOM 0 HG2 ARG A 54 62.375 -74.614 -1.496 1.00 9.62 H new ATOM 0 HG3 ARG A 54 61.682 -73.592 -0.253 1.00 9.62 H new ATOM 0 HD2 ARG A 54 63.572 -74.483 1.306 1.00 12.20 H new ATOM 0 HD3 ARG A 54 64.320 -75.118 -0.147 1.00 12.20 H new ATOM 0 HE ARG A 54 64.051 -72.264 0.594 1.00 18.23 H new ATOM 0 HH11 ARG A 54 65.637 -74.652 -1.289 1.00 25.50 H new ATOM 0 HH12 ARG A 54 66.101 -73.556 -2.594 1.00 25.50 H new ATOM 0 HH21 ARG A 54 64.231 -70.879 -1.348 1.00 23.38 H new ATOM 0 HH22 ARG A 54 65.313 -71.440 -2.627 1.00 23.38 H new ATOM 871 N THR A 55 61.466 -78.156 2.040 1.00 9.05 N ATOM 872 CA THR A 55 60.742 -79.201 2.795 1.00 9.03 C ATOM 873 C THR A 55 59.452 -78.671 3.430 1.00 8.15 C ATOM 874 O THR A 55 59.226 -77.466 3.518 1.00 5.91 O ATOM 875 CB THR A 55 61.593 -79.759 3.940 1.00 11.15 C ATOM 876 OG1 THR A 55 61.838 -78.735 4.895 1.00 11.95 O ATOM 877 CG2 THR A 55 62.923 -80.280 3.394 1.00 11.71 C ATOM 0 H THR A 55 61.923 -77.456 2.625 1.00 9.05 H new ATOM 0 HA THR A 55 60.513 -79.975 2.063 1.00 9.03 H new ATOM 0 HB THR A 55 61.057 -80.579 4.417 1.00 11.15 H new ATOM 0 HG1 THR A 55 61.496 -79.015 5.770 1.00 11.95 H new ATOM 0 HG21 THR A 55 63.523 -80.675 4.214 1.00 11.71 H new ATOM 0 HG22 THR A 55 62.734 -81.071 2.669 1.00 11.71 H new ATOM 0 HG23 THR A 55 63.462 -79.465 2.910 1.00 11.71 H new ATOM 885 N LEU A 56 58.625 -79.616 3.897 1.00 6.91 N ATOM 886 CA LEU A 56 57.360 -79.276 4.565 1.00 8.29 C ATOM 887 C LEU A 56 57.606 -78.428 5.813 1.00 8.05 C ATOM 888 O LEU A 56 56.864 -77.480 6.071 1.00 10.17 O ATOM 889 CB LEU A 56 56.608 -80.545 4.997 1.00 6.60 C ATOM 890 CG LEU A 56 56.219 -81.398 3.785 1.00 7.73 C ATOM 891 CD1 LEU A 56 55.620 -82.716 4.284 1.00 9.85 C ATOM 892 CD2 LEU A 56 55.176 -80.665 2.928 1.00 8.64 C ATOM 0 H LEU A 56 58.807 -80.617 3.826 1.00 6.91 H new ATOM 0 HA LEU A 56 56.765 -78.714 3.845 1.00 8.29 H new ATOM 0 HB2 LEU A 56 57.234 -81.130 5.671 1.00 6.60 H new ATOM 0 HB3 LEU A 56 55.712 -80.269 5.553 1.00 6.60 H new ATOM 0 HG LEU A 56 57.105 -81.586 3.178 1.00 7.73 H new ATOM 0 HD11 LEU A 56 55.338 -83.334 3.431 1.00 9.85 H new ATOM 0 HD12 LEU A 56 56.357 -83.245 4.888 1.00 9.85 H new ATOM 0 HD13 LEU A 56 54.737 -82.509 4.889 1.00 9.85 H new ATOM 0 HD21 LEU A 56 54.910 -81.284 2.071 1.00 8.64 H new ATOM 0 HD22 LEU A 56 54.286 -80.471 3.526 1.00 8.64 H new ATOM 0 HD23 LEU A 56 55.592 -79.720 2.578 1.00 8.64 H new ATOM 904 N SER A 57 58.623 -78.778 6.609 1.00 8.92 N ATOM 905 CA SER A 57 58.877 -78.019 7.833 1.00 9.00 C ATOM 906 C SER A 57 59.217 -76.561 7.535 1.00 9.44 C ATOM 907 O SER A 57 58.938 -75.676 8.345 1.00 10.91 O ATOM 908 CB SER A 57 59.991 -78.650 8.669 1.00 10.32 C ATOM 909 OG SER A 57 61.188 -78.681 7.900 1.00 13.59 O ATOM 0 H SER A 57 59.262 -79.554 6.435 1.00 8.92 H new ATOM 0 HA SER A 57 57.953 -78.047 8.410 1.00 9.00 H new ATOM 0 HB2 SER A 57 60.146 -78.077 9.583 1.00 10.32 H new ATOM 0 HB3 SER A 57 59.710 -79.660 8.969 1.00 10.32 H new ATOM 0 HG SER A 57 61.907 -79.083 8.430 1.00 13.59 H new ATOM 915 N ASP A 58 59.821 -76.313 6.390 1.00 9.11 N ATOM 916 CA ASP A 58 60.192 -74.949 6.028 1.00 7.91 C ATOM 917 C ASP A 58 58.953 -74.064 5.905 1.00 9.12 C ATOM 918 O ASP A 58 59.023 -72.854 6.122 1.00 8.61 O ATOM 919 CB ASP A 58 60.962 -74.950 4.706 1.00 8.41 C ATOM 920 CG ASP A 58 62.339 -75.575 4.906 1.00 11.50 C ATOM 921 OD1 ASP A 58 62.788 -75.621 6.039 1.00 10.05 O ATOM 922 OD2 ASP A 58 62.921 -76.003 3.923 1.00 11.70 O ATOM 0 H ASP A 58 60.065 -77.023 5.699 1.00 9.11 H new ATOM 0 HA ASP A 58 60.828 -74.546 6.816 1.00 7.91 H new ATOM 0 HB2 ASP A 58 60.406 -75.508 3.952 1.00 8.41 H new ATOM 0 HB3 ASP A 58 61.067 -73.930 4.336 1.00 8.41 H new ATOM 927 N TYR A 59 57.814 -74.670 5.555 1.00 7.97 N ATOM 928 CA TYR A 59 56.559 -73.920 5.405 1.00 8.45 C ATOM 929 C TYR A 59 55.669 -74.061 6.638 1.00 10.98 C ATOM 930 O TYR A 59 54.485 -73.728 6.596 1.00 12.95 O ATOM 931 CB TYR A 59 55.779 -74.407 4.185 1.00 7.94 C ATOM 932 CG TYR A 59 56.502 -73.991 2.936 1.00 6.91 C ATOM 933 CD1 TYR A 59 56.228 -72.752 2.345 1.00 6.98 C ATOM 934 CD2 TYR A 59 57.451 -74.842 2.371 1.00 4.59 C ATOM 935 CE1 TYR A 59 56.907 -72.367 1.183 1.00 6.52 C ATOM 936 CE2 TYR A 59 58.128 -74.459 1.215 1.00 5.39 C ATOM 937 CZ TYR A 59 57.859 -73.222 0.618 1.00 6.76 C ATOM 938 OH TYR A 59 58.532 -72.846 -0.527 1.00 7.63 O ATOM 0 H TYR A 59 57.733 -75.670 5.371 1.00 7.97 H new ATOM 0 HA TYR A 59 56.831 -72.872 5.279 1.00 8.45 H new ATOM 0 HB2 TYR A 59 55.675 -75.492 4.215 1.00 7.94 H new ATOM 0 HB3 TYR A 59 54.772 -73.990 4.192 1.00 7.94 H new ATOM 0 HD1 TYR A 59 55.493 -72.094 2.785 1.00 6.98 H new ATOM 0 HD2 TYR A 59 57.661 -75.797 2.829 1.00 4.59 H new ATOM 0 HE1 TYR A 59 56.696 -71.412 0.724 1.00 6.52 H new ATOM 0 HE2 TYR A 59 58.863 -75.119 0.778 1.00 5.39 H new ATOM 0 HH TYR A 59 59.158 -73.554 -0.786 1.00 7.63 H new ATOM 948 N ASN A 60 56.242 -74.557 7.735 1.00 12.38 N ATOM 949 CA ASN A 60 55.514 -74.749 8.985 1.00 13.94 C ATOM 950 C ASN A 60 54.203 -75.502 8.774 1.00 14.16 C ATOM 951 O ASN A 60 53.195 -75.195 9.411 1.00 14.26 O ATOM 952 CB ASN A 60 55.238 -73.407 9.667 1.00 19.23 C ATOM 953 CG ASN A 60 56.551 -72.702 9.985 1.00 22.65 C ATOM 954 OD1 ASN A 60 57.453 -73.302 10.570 1.00 25.45 O ATOM 955 ND2 ASN A 60 56.713 -71.453 9.640 1.00 24.09 N ATOM 0 H ASN A 60 57.222 -74.836 7.780 1.00 12.38 H new ATOM 0 HA ASN A 60 56.149 -75.355 9.631 1.00 13.94 H new ATOM 0 HB2 ASN A 60 54.627 -72.779 9.018 1.00 19.23 H new ATOM 0 HB3 ASN A 60 54.670 -73.566 10.584 1.00 19.23 H new ATOM 0 HD21 ASN A 60 57.587 -70.974 9.855 1.00 24.09 H new ATOM 0 HD22 ASN A 60 55.965 -70.957 9.155 1.00 24.09 H new ATOM 962 N ILE A 61 54.227 -76.510 7.905 1.00 11.08 N ATOM 963 CA ILE A 61 53.032 -77.317 7.662 1.00 11.78 C ATOM 964 C ILE A 61 52.935 -78.346 8.786 1.00 13.74 C ATOM 965 O ILE A 61 53.870 -79.112 9.021 1.00 14.60 O ATOM 966 CB ILE A 61 53.119 -77.959 6.269 1.00 11.80 C ATOM 967 CG1 ILE A 61 53.090 -76.842 5.222 1.00 11.56 C ATOM 968 CG2 ILE A 61 51.929 -78.893 6.034 1.00 13.29 C ATOM 969 CD1 ILE A 61 53.369 -77.407 3.825 1.00 11.42 C ATOM 0 H ILE A 61 55.047 -76.785 7.364 1.00 11.08 H new ATOM 0 HA ILE A 61 52.125 -76.713 7.667 1.00 11.78 H new ATOM 0 HB ILE A 61 54.039 -78.539 6.194 1.00 11.80 H new ATOM 0 HG12 ILE A 61 52.118 -76.350 5.234 1.00 11.56 H new ATOM 0 HG13 ILE A 61 53.834 -76.084 5.469 1.00 11.56 H new ATOM 0 HG21 ILE A 61 52.007 -79.339 5.042 1.00 13.29 H new ATOM 0 HG22 ILE A 61 51.930 -79.681 6.787 1.00 13.29 H new ATOM 0 HG23 ILE A 61 51.001 -78.325 6.105 1.00 13.29 H new ATOM 0 HD11 ILE A 61 53.344 -76.599 3.094 1.00 11.42 H new ATOM 0 HD12 ILE A 61 54.352 -77.878 3.813 1.00 11.42 H new ATOM 0 HD13 ILE A 61 52.609 -78.147 3.573 1.00 11.42 H new ATOM 981 N GLN A 62 51.812 -78.319 9.517 1.00 13.97 N ATOM 982 CA GLN A 62 51.602 -79.206 10.670 1.00 15.52 C ATOM 983 C GLN A 62 50.600 -80.319 10.364 1.00 13.94 C ATOM 984 O GLN A 62 49.931 -80.311 9.330 1.00 12.15 O ATOM 985 CB GLN A 62 51.092 -78.363 11.839 1.00 19.53 C ATOM 986 CG GLN A 62 52.217 -77.460 12.347 1.00 26.38 C ATOM 987 CD GLN A 62 51.705 -76.572 13.476 1.00 30.61 C ATOM 988 OE1 GLN A 62 50.498 -76.370 13.609 1.00 33.23 O ATOM 989 NE2 GLN A 62 52.555 -76.026 14.301 1.00 32.71 N ATOM 0 H GLN A 62 51.032 -77.689 9.329 1.00 13.97 H new ATOM 0 HA GLN A 62 52.550 -79.684 10.916 1.00 15.52 H new ATOM 0 HB2 GLN A 62 50.242 -77.759 11.522 1.00 19.53 H new ATOM 0 HB3 GLN A 62 50.741 -79.011 12.642 1.00 19.53 H new ATOM 0 HG2 GLN A 62 53.050 -78.067 12.701 1.00 26.38 H new ATOM 0 HG3 GLN A 62 52.596 -76.843 11.532 1.00 26.38 H new ATOM 0 HE21 GLN A 62 53.555 -76.195 14.189 1.00 32.71 H new ATOM 0 HE22 GLN A 62 52.220 -75.430 15.058 1.00 32.71 H new ATOM 998 N LYS A 63 50.534 -81.288 11.277 1.00 11.73 N ATOM 999 CA LYS A 63 49.631 -82.417 11.077 1.00 11.97 C ATOM 1000 C LYS A 63 48.214 -81.949 10.752 1.00 10.41 C ATOM 1001 O LYS A 63 47.729 -80.955 11.294 1.00 9.59 O ATOM 1002 CB LYS A 63 49.578 -83.343 12.294 1.00 13.73 C ATOM 1003 CG LYS A 63 49.142 -82.526 13.516 1.00 16.98 C ATOM 1004 CD LYS A 63 49.315 -83.343 14.805 1.00 20.19 C ATOM 1005 CE LYS A 63 48.172 -84.350 14.953 1.00 23.42 C ATOM 1006 NZ LYS A 63 48.342 -85.104 16.227 1.00 25.97 N ATOM 0 H LYS A 63 51.079 -81.315 12.139 1.00 11.73 H new ATOM 0 HA LYS A 63 50.035 -82.975 10.232 1.00 11.97 H new ATOM 0 HB2 LYS A 63 48.879 -84.160 12.117 1.00 13.73 H new ATOM 0 HB3 LYS A 63 50.555 -83.793 12.469 1.00 13.73 H new ATOM 0 HG2 LYS A 63 49.732 -81.611 13.577 1.00 16.98 H new ATOM 0 HG3 LYS A 63 48.100 -82.227 13.406 1.00 16.98 H new ATOM 0 HD2 LYS A 63 50.270 -83.867 14.786 1.00 20.19 H new ATOM 0 HD3 LYS A 63 49.335 -82.676 15.667 1.00 20.19 H new ATOM 0 HE2 LYS A 63 47.213 -83.832 14.949 1.00 23.42 H new ATOM 0 HE3 LYS A 63 48.166 -85.038 14.108 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 47.567 -85.789 16.331 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 49.251 -85.609 16.213 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 48.327 -84.441 17.028 1.00 25.97 H new ATOM 1020 N GLU A 64 47.576 -82.675 9.838 1.00 10.04 N ATOM 1021 CA GLU A 64 46.221 -82.366 9.379 1.00 10.94 C ATOM 1022 C GLU A 64 46.149 -81.060 8.600 1.00 9.74 C ATOM 1023 O GLU A 64 45.071 -80.486 8.453 1.00 9.42 O ATOM 1024 CB GLU A 64 45.173 -82.320 10.495 1.00 18.31 C ATOM 1025 CG GLU A 64 45.024 -83.709 11.116 1.00 24.16 C ATOM 1026 CD GLU A 64 43.816 -83.724 12.048 1.00 29.00 C ATOM 1027 OE1 GLU A 64 43.290 -82.657 12.319 1.00 31.72 O ATOM 1028 OE2 GLU A 64 43.433 -84.801 12.474 1.00 32.61 O ATOM 0 H GLU A 64 47.984 -83.497 9.392 1.00 10.04 H new ATOM 0 HA GLU A 64 45.981 -83.203 8.723 1.00 10.94 H new ATOM 0 HB2 GLU A 64 45.470 -81.600 11.257 1.00 18.31 H new ATOM 0 HB3 GLU A 64 44.216 -81.985 10.095 1.00 18.31 H new ATOM 0 HG2 GLU A 64 44.902 -84.458 10.333 1.00 24.16 H new ATOM 0 HG3 GLU A 64 45.926 -83.970 11.669 1.00 24.16 H new ATOM 1035 N SER A 65 47.265 -80.627 8.036 1.00 6.85 N ATOM 1036 CA SER A 65 47.276 -79.438 7.200 1.00 6.90 C ATOM 1037 C SER A 65 46.709 -79.816 5.840 1.00 4.72 C ATOM 1038 O SER A 65 46.880 -80.946 5.383 1.00 3.91 O ATOM 1039 CB SER A 65 48.698 -78.907 7.049 1.00 7.28 C ATOM 1040 OG SER A 65 49.120 -78.322 8.274 1.00 10.56 O ATOM 0 H SER A 65 48.173 -81.080 8.142 1.00 6.85 H new ATOM 0 HA SER A 65 46.673 -78.653 7.657 1.00 6.90 H new ATOM 0 HB2 SER A 65 49.372 -79.717 6.770 1.00 7.28 H new ATOM 0 HB3 SER A 65 48.738 -78.168 6.248 1.00 7.28 H new ATOM 0 HG SER A 65 49.174 -79.014 8.965 1.00 10.56 H new ATOM 1046 N THR A 66 46.041 -78.864 5.183 1.00 4.48 N ATOM 1047 CA THR A 66 45.459 -79.101 3.863 1.00 3.80 C ATOM 1048 C THR A 66 46.211 -78.278 2.821 1.00 4.60 C ATOM 1049 O THR A 66 46.289 -77.053 2.917 1.00 5.33 O ATOM 1050 CB THR A 66 43.981 -78.695 3.852 1.00 2.85 C ATOM 1051 OG1 THR A 66 43.274 -79.464 4.816 1.00 2.15 O ATOM 1052 CG2 THR A 66 43.386 -78.949 2.464 1.00 3.40 C ATOM 0 H THR A 66 45.891 -77.922 5.545 1.00 4.48 H new ATOM 0 HA THR A 66 45.540 -80.163 3.629 1.00 3.80 H new ATOM 0 HB THR A 66 43.896 -77.635 4.093 1.00 2.85 H new ATOM 0 HG1 THR A 66 42.329 -79.205 4.812 1.00 2.15 H new ATOM 0 HG21 THR A 66 42.335 -78.659 2.460 1.00 3.40 H new ATOM 0 HG22 THR A 66 43.927 -78.361 1.723 1.00 3.40 H new ATOM 0 HG23 THR A 66 43.471 -80.008 2.220 1.00 3.40 H new ATOM 1060 N LEU A 67 46.718 -78.962 1.799 1.00 4.17 N ATOM 1061 CA LEU A 67 47.418 -78.304 0.700 1.00 3.85 C ATOM 1062 C LEU A 67 46.482 -78.284 -0.489 1.00 3.80 C ATOM 1063 O LEU A 67 45.543 -79.078 -0.575 1.00 5.54 O ATOM 1064 CB LEU A 67 48.682 -79.067 0.302 1.00 7.18 C ATOM 1065 CG LEU A 67 49.594 -79.293 1.524 1.00 9.67 C ATOM 1066 CD1 LEU A 67 49.219 -80.585 2.262 1.00 8.12 C ATOM 1067 CD2 LEU A 67 51.055 -79.381 1.065 1.00 11.66 C ATOM 0 H LEU A 67 46.657 -79.976 1.709 1.00 4.17 H new ATOM 0 HA LEU A 67 47.709 -77.301 1.014 1.00 3.85 H new ATOM 0 HB2 LEU A 67 48.410 -80.027 -0.136 1.00 7.18 H new ATOM 0 HB3 LEU A 67 49.223 -78.509 -0.463 1.00 7.18 H new ATOM 0 HG LEU A 67 49.464 -78.453 2.206 1.00 9.67 H new ATOM 0 HD11 LEU A 67 49.879 -80.719 3.119 1.00 8.12 H new ATOM 0 HD12 LEU A 67 48.186 -80.521 2.605 1.00 8.12 H new ATOM 0 HD13 LEU A 67 49.325 -81.434 1.586 1.00 8.12 H new ATOM 0 HD21 LEU A 67 51.699 -79.541 1.930 1.00 11.66 H new ATOM 0 HD22 LEU A 67 51.168 -80.213 0.369 1.00 11.66 H new ATOM 0 HD23 LEU A 67 51.337 -78.452 0.569 1.00 11.66 H new ATOM 1079 N HIS A 68 46.756 -77.373 -1.420 1.00 2.94 N ATOM 1080 CA HIS A 68 45.956 -77.242 -2.628 1.00 4.17 C ATOM 1081 C HIS A 68 46.796 -77.630 -3.836 1.00 5.32 C ATOM 1082 O HIS A 68 47.934 -77.181 -3.980 1.00 7.70 O ATOM 1083 CB HIS A 68 45.496 -75.791 -2.785 1.00 5.57 C ATOM 1084 CG HIS A 68 44.552 -75.428 -1.676 1.00 9.95 C ATOM 1085 ND1 HIS A 68 44.997 -74.858 -0.495 1.00 13.74 N ATOM 1086 CD2 HIS A 68 43.190 -75.539 -1.550 1.00 12.79 C ATOM 1087 CE1 HIS A 68 43.924 -74.646 0.283 1.00 14.75 C ATOM 1088 NE2 HIS A 68 42.794 -75.044 -0.311 1.00 16.30 N ATOM 0 H HIS A 68 47.531 -76.713 -1.357 1.00 2.94 H new ATOM 0 HA HIS A 68 45.087 -77.896 -2.556 1.00 4.17 H new ATOM 0 HB2 HIS A 68 46.358 -75.124 -2.772 1.00 5.57 H new ATOM 0 HB3 HIS A 68 45.005 -75.659 -3.749 1.00 5.57 H new ATOM 0 HD2 HIS A 68 42.527 -75.948 -2.298 1.00 12.79 H new ATOM 0 HE1 HIS A 68 43.968 -74.207 1.269 1.00 14.75 H new ATOM 0 HE2 HIS A 68 41.846 -74.995 0.063 1.00 16.30 H new ATOM 1096 N LEU A 69 46.236 -78.465 -4.706 1.00 5.29 N ATOM 1097 CA LEU A 69 46.939 -78.913 -5.907 1.00 3.97 C ATOM 1098 C LEU A 69 46.346 -78.203 -7.112 1.00 5.07 C ATOM 1099 O LEU A 69 45.128 -78.162 -7.283 1.00 4.34 O ATOM 1100 CB LEU A 69 46.776 -80.436 -6.088 1.00 6.08 C ATOM 1101 CG LEU A 69 47.467 -80.949 -7.364 1.00 7.37 C ATOM 1102 CD1 LEU A 69 48.985 -80.961 -7.188 1.00 6.87 C ATOM 1103 CD2 LEU A 69 46.992 -82.376 -7.648 1.00 9.96 C ATOM 0 H LEU A 69 45.296 -78.847 -4.603 1.00 5.29 H new ATOM 0 HA LEU A 69 48.000 -78.681 -5.810 1.00 3.97 H new ATOM 0 HB2 LEU A 69 47.191 -80.949 -5.221 1.00 6.08 H new ATOM 0 HB3 LEU A 69 45.715 -80.684 -6.127 1.00 6.08 H new ATOM 0 HG LEU A 69 47.212 -80.287 -8.192 1.00 7.37 H new ATOM 0 HD11 LEU A 69 49.454 -81.327 -8.101 1.00 6.87 H new ATOM 0 HD12 LEU A 69 49.335 -79.950 -6.980 1.00 6.87 H new ATOM 0 HD13 LEU A 69 49.250 -81.615 -6.357 1.00 6.87 H new ATOM 0 HD21 LEU A 69 47.477 -82.748 -8.551 1.00 9.96 H new ATOM 0 HD22 LEU A 69 47.249 -83.019 -6.807 1.00 9.96 H new ATOM 0 HD23 LEU A 69 45.911 -82.378 -7.789 1.00 9.96 H new ATOM 1115 N VAL A 70 47.220 -77.661 -7.968 1.00 4.29 N ATOM 1116 CA VAL A 70 46.835 -76.968 -9.188 1.00 6.26 C ATOM 1117 C VAL A 70 47.471 -77.720 -10.347 1.00 9.22 C ATOM 1118 O VAL A 70 48.622 -78.145 -10.278 1.00 9.36 O ATOM 1119 CB VAL A 70 47.340 -75.521 -9.115 1.00 8.69 C ATOM 1120 CG1 VAL A 70 47.569 -74.925 -10.512 1.00 9.76 C ATOM 1121 CG2 VAL A 70 46.338 -74.654 -8.368 1.00 8.54 C ATOM 0 H VAL A 70 48.229 -77.696 -7.824 1.00 4.29 H new ATOM 0 HA VAL A 70 45.753 -76.938 -9.321 1.00 6.26 H new ATOM 0 HB VAL A 70 48.293 -75.538 -8.586 1.00 8.69 H new ATOM 0 HG11 VAL A 70 47.926 -73.900 -10.416 1.00 9.76 H new ATOM 0 HG12 VAL A 70 48.312 -75.520 -11.044 1.00 9.76 H new ATOM 0 HG13 VAL A 70 46.632 -74.932 -11.069 1.00 9.76 H new ATOM 0 HG21 VAL A 70 46.707 -73.629 -8.322 1.00 8.54 H new ATOM 0 HG22 VAL A 70 45.381 -74.672 -8.889 1.00 8.54 H new ATOM 0 HG23 VAL A 70 46.207 -75.038 -7.356 1.00 8.54 H new ATOM 1131 N LEU A 71 46.698 -77.887 -11.400 1.00 12.71 N ATOM 1132 CA LEU A 71 47.155 -78.601 -12.591 1.00 16.06 C ATOM 1133 C LEU A 71 47.487 -77.611 -13.697 1.00 18.09 C ATOM 1134 O LEU A 71 46.757 -76.644 -13.916 1.00 19.26 O ATOM 1135 CB LEU A 71 46.059 -79.556 -13.074 1.00 17.10 C ATOM 1136 CG LEU A 71 45.639 -80.491 -11.932 1.00 19.37 C ATOM 1137 CD1 LEU A 71 44.541 -81.436 -12.431 1.00 17.51 C ATOM 1138 CD2 LEU A 71 46.848 -81.314 -11.453 1.00 19.57 C ATOM 0 H LEU A 71 45.742 -77.538 -11.462 1.00 12.71 H new ATOM 0 HA LEU A 71 48.050 -79.171 -12.339 1.00 16.06 H new ATOM 0 HB2 LEU A 71 45.198 -78.987 -13.425 1.00 17.10 H new ATOM 0 HB3 LEU A 71 46.421 -80.141 -13.920 1.00 17.10 H new ATOM 0 HG LEU A 71 45.263 -79.896 -11.100 1.00 19.37 H new ATOM 0 HD11 LEU A 71 44.239 -82.102 -11.623 1.00 17.51 H new ATOM 0 HD12 LEU A 71 43.681 -80.853 -12.760 1.00 17.51 H new ATOM 0 HD13 LEU A 71 44.920 -82.026 -13.265 1.00 17.51 H new ATOM 0 HD21 LEU A 71 46.540 -81.975 -10.642 1.00 19.57 H new ATOM 0 HD22 LEU A 71 47.233 -81.910 -12.280 1.00 19.57 H new ATOM 0 HD23 LEU A 71 47.628 -80.641 -11.096 1.00 19.57 H new ATOM 1150 N ARG A 72 48.596 -77.856 -14.391 1.00 21.47 N ATOM 1151 CA ARG A 72 49.031 -76.981 -15.479 1.00 25.83 C ATOM 1152 C ARG A 72 49.097 -77.769 -16.781 1.00 27.74 C ATOM 1153 O ARG A 72 49.516 -78.924 -16.793 1.00 30.65 O ATOM 1154 CB ARG A 72 50.412 -76.405 -15.159 1.00 28.49 C ATOM 1155 CG ARG A 72 50.860 -75.491 -16.300 1.00 31.79 C ATOM 1156 CD ARG A 72 52.116 -74.729 -15.875 1.00 34.05 C ATOM 1157 NE ARG A 72 52.656 -73.976 -17.001 1.00 35.08 N ATOM 1158 CZ ARG A 72 53.722 -73.197 -16.856 1.00 34.67 C ATOM 1159 NH1 ARG A 72 54.818 -73.681 -16.339 1.00 34.97 N ATOM 1160 NH2 ARG A 72 53.672 -71.947 -17.229 1.00 35.02 N ATOM 0 H ARG A 72 49.210 -78.652 -14.220 1.00 21.47 H new ATOM 0 HA ARG A 72 48.316 -76.166 -15.588 1.00 25.83 H new ATOM 0 HB2 ARG A 72 50.377 -75.846 -14.224 1.00 28.49 H new ATOM 0 HB3 ARG A 72 51.132 -77.212 -15.021 1.00 28.49 H new ATOM 0 HG2 ARG A 72 51.063 -76.080 -17.194 1.00 31.79 H new ATOM 0 HG3 ARG A 72 50.064 -74.791 -16.554 1.00 31.79 H new ATOM 0 HD2 ARG A 72 51.878 -74.051 -15.056 1.00 34.05 H new ATOM 0 HD3 ARG A 72 52.865 -75.428 -15.503 1.00 34.05 H new ATOM 0 HE ARG A 72 52.208 -74.049 -17.914 1.00 35.08 H new ATOM 0 HH11 ARG A 72 54.856 -74.657 -16.046 1.00 34.97 H new ATOM 0 HH12 ARG A 72 55.637 -73.083 -16.228 1.00 34.97 H new ATOM 0 HH21 ARG A 72 52.815 -71.569 -17.632 1.00 35.02 H new ATOM 0 HH22 ARG A 72 54.490 -71.348 -17.118 1.00 35.02 H new