USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 562 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 51 MET CE :methyl 141:sc= -0.961 (180deg=0) USER MOD Set 1.2: A 71 MET CE :methyl -151:sc= -1.3 (180deg=-2.89) USER MOD Set 1.3: A 75 LYS NZ :NH3+ -148:sc= -1.29 (180deg=-0.32) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.0424 X(o=-0.042,f=-0.43) USER MOD Single : A 5 THR OG1 : rot 111:sc= -0.179 USER MOD Single : A 8 GLN : amide:sc= 0.0854 K(o=0.085,f=-2.5) USER MOD Single : A 13 LYS NZ :NH3+ 170:sc= -3.22! (180deg=-3.47!) USER MOD Single : A 17 SER OG : rot -25:sc= 0.759 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0254 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 170:sc= 0 (180deg=-0.0859) USER MOD Single : A 38 SER OG : rot -33:sc= 1.21 USER MOD Single : A 41 GLN : amide:sc= -0.115 K(o=-0.12,f=-1) USER MOD Single : A 42 ASN : amide:sc= -0.171 K(o=-0.17,f=-2.7!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.624 USER MOD Single : A 49 GLN : amide:sc= -0.202 K(o=-0.2,f=-0.96) USER MOD Single : A 53 ASN : amide:sc= -0.0931 K(o=-0.093,f=-1.7!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 166:sc= -2.39 (180deg=-2.46) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.502 15.716 -8.679 1.00 1.43 N ATOM 2 CA ALA A 1 11.872 14.647 -9.504 1.00 1.35 C ATOM 3 C ALA A 1 11.643 13.405 -8.642 1.00 1.11 C ATOM 4 O ALA A 1 12.562 12.673 -8.334 1.00 1.30 O ATOM 5 CB ALA A 1 12.797 14.290 -10.670 1.00 2.33 C ATOM 0 H1 ALA A 1 12.658 16.561 -9.265 1.00 1.43 H new ATOM 0 H2 ALA A 1 11.875 15.957 -7.885 1.00 1.43 H new ATOM 0 H3 ALA A 1 13.414 15.378 -8.310 1.00 1.43 H new ATOM 0 HA ALA A 1 10.918 15.004 -9.891 1.00 1.35 H new ATOM 0 HB1 ALA A 1 12.336 13.508 -11.274 1.00 2.33 H new ATOM 0 HB2 ALA A 1 12.963 15.174 -11.286 1.00 2.33 H new ATOM 0 HB3 ALA A 1 13.751 13.934 -10.282 1.00 2.33 H new ATOM 13 N ASP A 2 10.422 13.158 -8.251 1.00 1.13 N ATOM 14 CA ASP A 2 10.139 11.960 -7.413 1.00 1.00 C ATOM 15 C ASP A 2 10.057 10.725 -8.305 1.00 0.80 C ATOM 16 O ASP A 2 8.981 10.235 -8.585 1.00 0.77 O ATOM 17 CB ASP A 2 8.810 12.135 -6.694 1.00 1.04 C ATOM 18 CG ASP A 2 8.865 13.377 -5.802 1.00 1.66 C ATOM 19 OD1 ASP A 2 9.811 13.495 -5.041 1.00 2.26 O ATOM 20 OD2 ASP A 2 7.959 14.189 -5.895 1.00 2.21 O ATOM 0 H ASP A 2 9.610 13.733 -8.476 1.00 1.13 H new ATOM 0 HA ASP A 2 10.938 11.841 -6.682 1.00 1.00 H new ATOM 0 HB2 ASP A 2 8.003 12.233 -7.420 1.00 1.04 H new ATOM 0 HB3 ASP A 2 8.592 11.253 -6.092 1.00 1.04 H new ATOM 25 N GLN A 3 11.165 10.138 -8.649 1.00 0.74 N ATOM 26 CA GLN A 3 11.148 8.844 -9.398 1.00 0.58 C ATOM 27 C GLN A 3 11.450 7.778 -8.340 1.00 0.38 C ATOM 28 O GLN A 3 12.474 7.846 -7.689 1.00 0.32 O ATOM 29 CB GLN A 3 12.220 8.853 -10.497 1.00 0.57 C ATOM 30 CG GLN A 3 13.612 8.815 -9.867 1.00 0.81 C ATOM 31 CD GLN A 3 14.653 9.309 -10.874 1.00 0.78 C ATOM 32 OE1 GLN A 3 14.484 10.348 -11.481 1.00 0.99 O ATOM 33 NE2 GLN A 3 15.730 8.602 -11.080 1.00 1.84 N ATOM 0 H GLN A 3 12.096 10.500 -8.443 1.00 0.74 H new ATOM 0 HA GLN A 3 10.197 8.660 -9.897 1.00 0.58 H new ATOM 0 HB2 GLN A 3 12.086 7.994 -11.155 1.00 0.57 H new ATOM 0 HB3 GLN A 3 12.114 9.746 -11.113 1.00 0.57 H new ATOM 0 HG2 GLN A 3 13.633 9.439 -8.973 1.00 0.81 H new ATOM 0 HG3 GLN A 3 13.851 7.799 -9.553 1.00 0.81 H new ATOM 0 HE21 GLN A 3 15.873 7.730 -10.571 1.00 1.84 H new ATOM 0 HE22 GLN A 3 16.429 8.922 -11.750 1.00 1.84 H new ATOM 42 N LEU A 4 10.608 6.801 -8.126 1.00 0.32 N ATOM 43 CA LEU A 4 10.962 5.800 -7.078 1.00 0.20 C ATOM 44 C LEU A 4 12.258 5.114 -7.507 1.00 0.26 C ATOM 45 O LEU A 4 12.414 4.718 -8.645 1.00 0.35 O ATOM 46 CB LEU A 4 9.844 4.768 -6.903 1.00 0.29 C ATOM 47 CG LEU A 4 8.541 5.464 -6.489 1.00 0.17 C ATOM 48 CD1 LEU A 4 7.398 4.444 -6.504 1.00 0.21 C ATOM 49 CD2 LEU A 4 8.683 6.061 -5.077 1.00 0.02 C ATOM 0 H LEU A 4 9.723 6.655 -8.611 1.00 0.32 H new ATOM 0 HA LEU A 4 11.093 6.299 -6.118 1.00 0.20 H new ATOM 0 HB2 LEU A 4 9.693 4.223 -7.835 1.00 0.29 H new ATOM 0 HB3 LEU A 4 10.130 4.036 -6.148 1.00 0.29 H new ATOM 0 HG LEU A 4 8.326 6.270 -7.191 1.00 0.17 H new ATOM 0 HD11 LEU A 4 6.469 4.934 -6.210 1.00 0.21 H new ATOM 0 HD12 LEU A 4 7.290 4.033 -7.508 1.00 0.21 H new ATOM 0 HD13 LEU A 4 7.620 3.638 -5.804 1.00 0.21 H new ATOM 0 HD21 LEU A 4 7.752 6.552 -4.794 1.00 0.02 H new ATOM 0 HD22 LEU A 4 8.904 5.265 -4.366 1.00 0.02 H new ATOM 0 HD23 LEU A 4 9.494 6.789 -5.070 1.00 0.02 H new ATOM 61 N THR A 5 13.193 4.973 -6.608 1.00 0.23 N ATOM 62 CA THR A 5 14.484 4.320 -6.959 1.00 0.31 C ATOM 63 C THR A 5 14.353 2.801 -6.842 1.00 0.37 C ATOM 64 O THR A 5 13.433 2.289 -6.236 1.00 0.39 O ATOM 65 CB THR A 5 15.571 4.804 -5.998 1.00 0.29 C ATOM 66 OG1 THR A 5 15.301 4.312 -4.693 1.00 0.29 O ATOM 67 CG2 THR A 5 15.589 6.333 -5.976 1.00 0.22 C ATOM 0 H THR A 5 13.117 5.284 -5.640 1.00 0.23 H new ATOM 0 HA THR A 5 14.748 4.580 -7.984 1.00 0.31 H new ATOM 0 HB THR A 5 16.542 4.436 -6.331 1.00 0.29 H new ATOM 0 HG1 THR A 5 15.974 3.643 -4.450 1.00 0.29 H new ATOM 0 HG21 THR A 5 16.364 6.678 -5.291 1.00 0.22 H new ATOM 0 HG22 THR A 5 15.797 6.709 -6.978 1.00 0.22 H new ATOM 0 HG23 THR A 5 14.619 6.704 -5.643 1.00 0.22 H new ATOM 75 N GLU A 6 15.266 2.079 -7.428 1.00 0.42 N ATOM 76 CA GLU A 6 15.199 0.593 -7.366 1.00 0.49 C ATOM 77 C GLU A 6 15.203 0.110 -5.912 1.00 0.49 C ATOM 78 O GLU A 6 14.505 -0.819 -5.558 1.00 0.53 O ATOM 79 CB GLU A 6 16.408 0.005 -8.093 1.00 0.55 C ATOM 80 CG GLU A 6 16.267 0.254 -9.595 1.00 1.15 C ATOM 81 CD GLU A 6 17.474 -0.331 -10.328 1.00 1.06 C ATOM 82 OE1 GLU A 6 18.421 -0.713 -9.660 1.00 2.08 O ATOM 83 OE2 GLU A 6 17.432 -0.387 -11.546 1.00 0.89 O ATOM 0 H GLU A 6 16.058 2.455 -7.949 1.00 0.42 H new ATOM 0 HA GLU A 6 14.275 0.264 -7.842 1.00 0.49 H new ATOM 0 HB2 GLU A 6 17.326 0.460 -7.722 1.00 0.55 H new ATOM 0 HB3 GLU A 6 16.480 -1.065 -7.896 1.00 0.55 H new ATOM 0 HG2 GLU A 6 15.348 -0.202 -9.965 1.00 1.15 H new ATOM 0 HG3 GLU A 6 16.193 1.324 -9.791 1.00 1.15 H new ATOM 90 N GLU A 7 15.982 0.724 -5.066 1.00 0.47 N ATOM 91 CA GLU A 7 16.025 0.289 -3.638 1.00 0.49 C ATOM 92 C GLU A 7 14.687 0.592 -2.960 1.00 0.46 C ATOM 93 O GLU A 7 14.174 -0.208 -2.204 1.00 0.56 O ATOM 94 CB GLU A 7 17.138 1.051 -2.916 1.00 0.46 C ATOM 95 CG GLU A 7 18.482 0.745 -3.580 1.00 0.60 C ATOM 96 CD GLU A 7 19.596 1.506 -2.859 1.00 1.95 C ATOM 97 OE1 GLU A 7 19.284 2.467 -2.176 1.00 3.20 O ATOM 98 OE2 GLU A 7 20.743 1.115 -3.002 1.00 2.18 O ATOM 0 H GLU A 7 16.591 1.508 -5.299 1.00 0.47 H new ATOM 0 HA GLU A 7 16.216 -0.783 -3.593 1.00 0.49 H new ATOM 0 HB2 GLU A 7 16.940 2.122 -2.949 1.00 0.46 H new ATOM 0 HB3 GLU A 7 17.166 0.764 -1.865 1.00 0.46 H new ATOM 0 HG2 GLU A 7 18.680 -0.326 -3.547 1.00 0.60 H new ATOM 0 HG3 GLU A 7 18.453 1.032 -4.631 1.00 0.60 H new ATOM 105 N GLN A 8 14.108 1.736 -3.224 1.00 0.33 N ATOM 106 CA GLN A 8 12.801 2.061 -2.587 1.00 0.30 C ATOM 107 C GLN A 8 11.765 1.053 -3.084 1.00 0.29 C ATOM 108 O GLN A 8 10.907 0.614 -2.344 1.00 0.28 O ATOM 109 CB GLN A 8 12.371 3.484 -2.953 1.00 0.30 C ATOM 110 CG GLN A 8 13.286 4.493 -2.255 1.00 0.29 C ATOM 111 CD GLN A 8 12.892 5.912 -2.670 1.00 0.34 C ATOM 112 OE1 GLN A 8 12.310 6.110 -3.718 1.00 0.59 O ATOM 113 NE2 GLN A 8 13.185 6.916 -1.889 1.00 0.97 N ATOM 0 H GLN A 8 14.481 2.452 -3.848 1.00 0.33 H new ATOM 0 HA GLN A 8 12.890 2.004 -1.502 1.00 0.30 H new ATOM 0 HB2 GLN A 8 12.418 3.622 -4.033 1.00 0.30 H new ATOM 0 HB3 GLN A 8 11.336 3.650 -2.655 1.00 0.30 H new ATOM 0 HG2 GLN A 8 13.207 4.384 -1.173 1.00 0.29 H new ATOM 0 HG3 GLN A 8 14.326 4.301 -2.520 1.00 0.29 H new ATOM 0 HE21 GLN A 8 13.674 6.752 -1.009 1.00 0.97 H new ATOM 0 HE22 GLN A 8 12.925 7.865 -2.159 1.00 0.97 H new ATOM 122 N ILE A 9 11.839 0.682 -4.336 1.00 0.30 N ATOM 123 CA ILE A 9 10.856 -0.297 -4.867 1.00 0.29 C ATOM 124 C ILE A 9 11.077 -1.646 -4.184 1.00 0.26 C ATOM 125 O ILE A 9 10.139 -2.323 -3.810 1.00 0.25 O ATOM 126 CB ILE A 9 11.012 -0.448 -6.387 1.00 0.29 C ATOM 127 CG1 ILE A 9 10.658 0.877 -7.074 1.00 0.36 C ATOM 128 CG2 ILE A 9 10.071 -1.548 -6.889 1.00 0.29 C ATOM 129 CD1 ILE A 9 11.072 0.818 -8.547 1.00 0.36 C ATOM 0 H ILE A 9 12.533 1.014 -5.006 1.00 0.30 H new ATOM 0 HA ILE A 9 9.847 0.061 -4.661 1.00 0.29 H new ATOM 0 HB ILE A 9 12.043 -0.714 -6.621 1.00 0.29 H new ATOM 0 HG12 ILE A 9 9.587 1.065 -6.994 1.00 0.36 H new ATOM 0 HG13 ILE A 9 11.165 1.703 -6.576 1.00 0.36 H new ATOM 0 HG21 ILE A 9 10.181 -1.656 -7.968 1.00 0.29 H new ATOM 0 HG22 ILE A 9 10.321 -2.491 -6.402 1.00 0.29 H new ATOM 0 HG23 ILE A 9 9.041 -1.281 -6.654 1.00 0.29 H new ATOM 0 HD11 ILE A 9 10.820 1.760 -9.034 1.00 0.36 H new ATOM 0 HD12 ILE A 9 12.147 0.650 -8.616 1.00 0.36 H new ATOM 0 HD13 ILE A 9 10.545 0.002 -9.041 1.00 0.36 H new ATOM 141 N ALA A 10 12.306 -2.048 -4.021 1.00 0.25 N ATOM 142 CA ALA A 10 12.575 -3.354 -3.369 1.00 0.22 C ATOM 143 C ALA A 10 12.044 -3.349 -1.923 1.00 0.20 C ATOM 144 O ALA A 10 11.335 -4.246 -1.522 1.00 0.30 O ATOM 145 CB ALA A 10 14.094 -3.629 -3.389 1.00 0.25 C ATOM 0 H ALA A 10 13.134 -1.527 -4.312 1.00 0.25 H new ATOM 0 HA ALA A 10 12.061 -4.145 -3.915 1.00 0.22 H new ATOM 0 HB1 ALA A 10 14.297 -4.587 -2.911 1.00 0.25 H new ATOM 0 HB2 ALA A 10 14.445 -3.656 -4.420 1.00 0.25 H new ATOM 0 HB3 ALA A 10 14.614 -2.837 -2.850 1.00 0.25 H new ATOM 151 N GLU A 11 12.377 -2.359 -1.134 1.00 0.16 N ATOM 152 CA GLU A 11 11.885 -2.343 0.273 1.00 0.16 C ATOM 153 C GLU A 11 10.351 -2.424 0.273 1.00 0.12 C ATOM 154 O GLU A 11 9.763 -3.125 1.073 1.00 0.12 O ATOM 155 CB GLU A 11 12.367 -1.041 0.956 1.00 0.23 C ATOM 156 CG GLU A 11 12.934 -1.352 2.342 1.00 0.85 C ATOM 157 CD GLU A 11 13.404 -0.059 3.011 1.00 1.20 C ATOM 158 OE1 GLU A 11 13.490 0.944 2.322 1.00 1.92 O ATOM 159 OE2 GLU A 11 13.669 -0.095 4.201 1.00 1.54 O ATOM 0 H GLU A 11 12.963 -1.568 -1.402 1.00 0.16 H new ATOM 0 HA GLU A 11 12.277 -3.197 0.825 1.00 0.16 H new ATOM 0 HB2 GLU A 11 13.129 -0.560 0.343 1.00 0.23 H new ATOM 0 HB3 GLU A 11 11.538 -0.339 1.043 1.00 0.23 H new ATOM 0 HG2 GLU A 11 12.174 -1.835 2.956 1.00 0.85 H new ATOM 0 HG3 GLU A 11 13.766 -2.051 2.256 1.00 0.85 H new ATOM 166 N PHE A 12 9.696 -1.726 -0.620 1.00 0.11 N ATOM 167 CA PHE A 12 8.206 -1.795 -0.651 1.00 0.07 C ATOM 168 C PHE A 12 7.773 -3.215 -1.008 1.00 0.04 C ATOM 169 O PHE A 12 6.835 -3.741 -0.442 1.00 0.06 O ATOM 170 CB PHE A 12 7.627 -0.820 -1.682 1.00 0.04 C ATOM 171 CG PHE A 12 8.120 0.607 -1.478 1.00 0.13 C ATOM 172 CD1 PHE A 12 8.413 1.118 -0.198 1.00 2.03 C ATOM 173 CD2 PHE A 12 8.258 1.438 -2.600 1.00 2.23 C ATOM 174 CE1 PHE A 12 8.840 2.443 -0.055 1.00 1.99 C ATOM 175 CE2 PHE A 12 8.688 2.760 -2.451 1.00 2.27 C ATOM 176 CZ PHE A 12 8.978 3.263 -1.179 1.00 0.30 C ATOM 0 H PHE A 12 10.123 -1.119 -1.320 1.00 0.11 H new ATOM 0 HA PHE A 12 7.831 -1.520 0.335 1.00 0.07 H new ATOM 0 HB2 PHE A 12 7.896 -1.154 -2.684 1.00 0.04 H new ATOM 0 HB3 PHE A 12 6.539 -0.837 -1.622 1.00 0.04 H new ATOM 0 HD1 PHE A 12 8.308 0.487 0.672 1.00 2.03 H new ATOM 0 HD2 PHE A 12 8.031 1.055 -3.584 1.00 2.23 H new ATOM 0 HE1 PHE A 12 9.064 2.833 0.927 1.00 1.99 H new ATOM 0 HE2 PHE A 12 8.796 3.393 -3.319 1.00 2.27 H new ATOM 0 HZ PHE A 12 9.309 4.285 -1.065 1.00 0.30 H new ATOM 186 N LYS A 13 8.426 -3.840 -1.940 1.00 0.04 N ATOM 187 CA LYS A 13 8.025 -5.220 -2.324 1.00 0.04 C ATOM 188 C LYS A 13 8.224 -6.196 -1.165 1.00 0.06 C ATOM 189 O LYS A 13 7.384 -7.035 -0.908 1.00 0.10 O ATOM 190 CB LYS A 13 8.869 -5.677 -3.516 1.00 0.06 C ATOM 191 CG LYS A 13 8.482 -7.116 -3.904 1.00 0.14 C ATOM 192 CD LYS A 13 8.924 -7.426 -5.359 1.00 0.04 C ATOM 193 CE LYS A 13 7.724 -7.368 -6.315 1.00 0.14 C ATOM 194 NZ LYS A 13 6.839 -6.235 -5.942 1.00 0.79 N ATOM 0 H LYS A 13 9.220 -3.458 -2.454 1.00 0.04 H new ATOM 0 HA LYS A 13 6.968 -5.209 -2.588 1.00 0.04 H new ATOM 0 HB2 LYS A 13 8.714 -5.008 -4.362 1.00 0.06 H new ATOM 0 HB3 LYS A 13 9.928 -5.631 -3.263 1.00 0.06 H new ATOM 0 HG2 LYS A 13 8.950 -7.822 -3.218 1.00 0.14 H new ATOM 0 HG3 LYS A 13 7.404 -7.247 -3.810 1.00 0.14 H new ATOM 0 HD2 LYS A 13 9.682 -6.709 -5.675 1.00 0.04 H new ATOM 0 HD3 LYS A 13 9.382 -8.414 -5.402 1.00 0.04 H new ATOM 0 HE2 LYS A 13 8.070 -7.248 -7.342 1.00 0.14 H new ATOM 0 HE3 LYS A 13 7.168 -8.305 -6.273 1.00 0.14 H new ATOM 0 HZ1 LYS A 13 6.125 -6.093 -6.684 1.00 0.79 H new ATOM 0 HZ2 LYS A 13 6.365 -6.447 -5.041 1.00 0.79 H new ATOM 0 HZ3 LYS A 13 7.407 -5.370 -5.839 1.00 0.79 H new ATOM 208 N GLU A 14 9.316 -6.106 -0.459 1.00 0.06 N ATOM 209 CA GLU A 14 9.530 -7.049 0.673 1.00 0.09 C ATOM 210 C GLU A 14 8.419 -6.846 1.697 1.00 0.10 C ATOM 211 O GLU A 14 7.824 -7.789 2.188 1.00 0.18 O ATOM 212 CB GLU A 14 10.874 -6.763 1.343 1.00 0.11 C ATOM 213 CG GLU A 14 11.992 -6.938 0.325 1.00 0.26 C ATOM 214 CD GLU A 14 13.340 -6.653 0.989 1.00 0.79 C ATOM 215 OE1 GLU A 14 13.343 -6.006 2.023 1.00 2.01 O ATOM 216 OE2 GLU A 14 14.346 -7.090 0.455 1.00 0.55 O ATOM 0 H GLU A 14 10.062 -5.428 -0.614 1.00 0.06 H new ATOM 0 HA GLU A 14 9.523 -8.072 0.298 1.00 0.09 H new ATOM 0 HB2 GLU A 14 10.886 -5.749 1.742 1.00 0.11 H new ATOM 0 HB3 GLU A 14 11.024 -7.439 2.185 1.00 0.11 H new ATOM 0 HG2 GLU A 14 11.979 -7.952 -0.074 1.00 0.26 H new ATOM 0 HG3 GLU A 14 11.840 -6.263 -0.517 1.00 0.26 H new ATOM 223 N ALA A 15 8.132 -5.617 2.023 1.00 0.03 N ATOM 224 CA ALA A 15 7.060 -5.348 3.019 1.00 0.08 C ATOM 225 C ALA A 15 5.730 -5.840 2.446 1.00 0.11 C ATOM 226 O ALA A 15 4.924 -6.428 3.136 1.00 0.16 O ATOM 227 CB ALA A 15 6.994 -3.847 3.334 1.00 0.10 C ATOM 0 H ALA A 15 8.592 -4.790 1.644 1.00 0.03 H new ATOM 0 HA ALA A 15 7.273 -5.875 3.949 1.00 0.08 H new ATOM 0 HB1 ALA A 15 6.206 -3.663 4.064 1.00 0.10 H new ATOM 0 HB2 ALA A 15 7.950 -3.518 3.742 1.00 0.10 H new ATOM 0 HB3 ALA A 15 6.779 -3.293 2.420 1.00 0.10 H new ATOM 233 N PHE A 16 5.500 -5.602 1.183 1.00 0.07 N ATOM 234 CA PHE A 16 4.236 -6.043 0.535 1.00 0.08 C ATOM 235 C PHE A 16 4.161 -7.564 0.559 1.00 0.09 C ATOM 236 O PHE A 16 3.115 -8.143 0.774 1.00 0.14 O ATOM 237 CB PHE A 16 4.248 -5.539 -0.913 1.00 0.09 C ATOM 238 CG PHE A 16 2.905 -5.734 -1.574 1.00 0.07 C ATOM 239 CD1 PHE A 16 2.625 -6.928 -2.251 1.00 0.11 C ATOM 240 CD2 PHE A 16 1.951 -4.708 -1.537 1.00 0.05 C ATOM 241 CE1 PHE A 16 1.392 -7.097 -2.892 1.00 0.11 C ATOM 242 CE2 PHE A 16 0.715 -4.878 -2.173 1.00 0.04 C ATOM 243 CZ PHE A 16 0.438 -6.072 -2.852 1.00 0.07 C ATOM 0 H PHE A 16 6.147 -5.112 0.565 1.00 0.07 H new ATOM 0 HA PHE A 16 3.370 -5.643 1.063 1.00 0.08 H new ATOM 0 HB2 PHE A 16 4.514 -4.482 -0.930 1.00 0.09 H new ATOM 0 HB3 PHE A 16 5.014 -6.069 -1.478 1.00 0.09 H new ATOM 0 HD1 PHE A 16 3.361 -7.718 -2.278 1.00 0.11 H new ATOM 0 HD2 PHE A 16 2.169 -3.786 -1.018 1.00 0.05 H new ATOM 0 HE1 PHE A 16 1.177 -8.016 -3.417 1.00 0.11 H new ATOM 0 HE2 PHE A 16 -0.023 -4.090 -2.140 1.00 0.04 H new ATOM 0 HZ PHE A 16 -0.514 -6.202 -3.346 1.00 0.07 H new ATOM 253 N SER A 17 5.255 -8.217 0.303 1.00 0.20 N ATOM 254 CA SER A 17 5.249 -9.700 0.267 1.00 0.22 C ATOM 255 C SER A 17 4.882 -10.327 1.618 1.00 0.20 C ATOM 256 O SER A 17 4.304 -11.393 1.692 1.00 0.21 O ATOM 257 CB SER A 17 6.637 -10.193 -0.142 1.00 0.32 C ATOM 258 OG SER A 17 7.594 -9.738 0.805 1.00 1.06 O ATOM 0 H SER A 17 6.159 -7.784 0.116 1.00 0.20 H new ATOM 0 HA SER A 17 4.489 -10.003 -0.453 1.00 0.22 H new ATOM 0 HB2 SER A 17 6.648 -11.282 -0.194 1.00 0.32 H new ATOM 0 HB3 SER A 17 6.888 -9.824 -1.136 1.00 0.32 H new ATOM 0 HG SER A 17 7.263 -8.925 1.240 1.00 1.06 H new ATOM 264 N LEU A 18 5.237 -9.658 2.693 1.00 0.23 N ATOM 265 CA LEU A 18 4.946 -10.173 4.069 1.00 0.23 C ATOM 266 C LEU A 18 3.436 -10.359 4.266 1.00 0.18 C ATOM 267 O LEU A 18 3.014 -11.207 5.029 1.00 0.20 O ATOM 268 CB LEU A 18 5.449 -9.143 5.110 1.00 0.26 C ATOM 269 CG LEU A 18 6.924 -9.376 5.473 1.00 0.18 C ATOM 270 CD1 LEU A 18 7.447 -8.174 6.273 1.00 0.27 C ATOM 271 CD2 LEU A 18 7.061 -10.640 6.342 1.00 0.12 C ATOM 0 H LEU A 18 5.724 -8.762 2.672 1.00 0.23 H new ATOM 0 HA LEU A 18 5.448 -11.132 4.196 1.00 0.23 H new ATOM 0 HB2 LEU A 18 5.327 -8.135 4.713 1.00 0.26 H new ATOM 0 HB3 LEU A 18 4.838 -9.207 6.010 1.00 0.26 H new ATOM 0 HG LEU A 18 7.498 -9.499 4.554 1.00 0.18 H new ATOM 0 HD11 LEU A 18 8.493 -8.337 6.532 1.00 0.27 H new ATOM 0 HD12 LEU A 18 7.359 -7.270 5.671 1.00 0.27 H new ATOM 0 HD13 LEU A 18 6.861 -8.061 7.185 1.00 0.27 H new ATOM 0 HD21 LEU A 18 8.110 -10.796 6.594 1.00 0.12 H new ATOM 0 HD22 LEU A 18 6.482 -10.517 7.258 1.00 0.12 H new ATOM 0 HD23 LEU A 18 6.688 -11.503 5.790 1.00 0.12 H new ATOM 283 N PHE A 19 2.620 -9.564 3.620 1.00 0.15 N ATOM 284 CA PHE A 19 1.138 -9.684 3.814 1.00 0.11 C ATOM 285 C PHE A 19 0.508 -10.423 2.634 1.00 0.07 C ATOM 286 O PHE A 19 -0.698 -10.501 2.504 1.00 0.07 O ATOM 287 CB PHE A 19 0.552 -8.292 4.002 1.00 0.10 C ATOM 288 CG PHE A 19 1.182 -7.717 5.244 1.00 0.06 C ATOM 289 CD1 PHE A 19 2.469 -7.178 5.181 1.00 0.07 C ATOM 290 CD2 PHE A 19 0.499 -7.757 6.463 1.00 0.08 C ATOM 291 CE1 PHE A 19 3.079 -6.677 6.335 1.00 0.04 C ATOM 292 CE2 PHE A 19 1.105 -7.250 7.620 1.00 0.08 C ATOM 293 CZ PHE A 19 2.397 -6.712 7.554 1.00 0.02 C ATOM 0 H PHE A 19 2.913 -8.837 2.967 1.00 0.15 H new ATOM 0 HA PHE A 19 0.919 -10.270 4.706 1.00 0.11 H new ATOM 0 HB2 PHE A 19 0.762 -7.664 3.136 1.00 0.10 H new ATOM 0 HB3 PHE A 19 -0.532 -8.340 4.105 1.00 0.10 H new ATOM 0 HD1 PHE A 19 2.995 -7.148 4.238 1.00 0.07 H new ATOM 0 HD2 PHE A 19 -0.494 -8.178 6.513 1.00 0.08 H new ATOM 0 HE1 PHE A 19 4.076 -6.264 6.284 1.00 0.04 H new ATOM 0 HE2 PHE A 19 0.577 -7.274 8.562 1.00 0.08 H new ATOM 0 HZ PHE A 19 2.866 -6.324 8.446 1.00 0.02 H new ATOM 303 N ASP A 20 1.323 -11.036 1.820 1.00 0.06 N ATOM 304 CA ASP A 20 0.799 -11.861 0.692 1.00 0.05 C ATOM 305 C ASP A 20 0.890 -13.313 1.160 1.00 0.06 C ATOM 306 O ASP A 20 1.879 -13.987 0.951 1.00 0.09 O ATOM 307 CB ASP A 20 1.671 -11.659 -0.550 1.00 0.09 C ATOM 308 CG ASP A 20 1.127 -12.509 -1.699 1.00 0.13 C ATOM 309 OD1 ASP A 20 0.125 -13.175 -1.495 1.00 1.13 O ATOM 310 OD2 ASP A 20 1.720 -12.480 -2.764 1.00 0.91 O ATOM 0 H ASP A 20 2.340 -11.001 1.888 1.00 0.06 H new ATOM 0 HA ASP A 20 -0.222 -11.584 0.431 1.00 0.05 H new ATOM 0 HB2 ASP A 20 1.679 -10.607 -0.834 1.00 0.09 H new ATOM 0 HB3 ASP A 20 2.702 -11.939 -0.333 1.00 0.09 H new ATOM 315 N LYS A 21 -0.105 -13.769 1.867 1.00 0.05 N ATOM 316 CA LYS A 21 -0.059 -15.143 2.443 1.00 0.08 C ATOM 317 C LYS A 21 -0.259 -16.234 1.402 1.00 0.01 C ATOM 318 O LYS A 21 0.130 -17.362 1.631 1.00 0.02 O ATOM 319 CB LYS A 21 -1.141 -15.275 3.519 1.00 0.15 C ATOM 320 CG LYS A 21 -0.978 -14.171 4.573 1.00 0.16 C ATOM 321 CD LYS A 21 0.288 -14.412 5.409 1.00 0.20 C ATOM 322 CE LYS A 21 0.201 -13.616 6.715 1.00 0.35 C ATOM 323 NZ LYS A 21 1.400 -13.903 7.552 1.00 2.14 N ATOM 0 H LYS A 21 -0.956 -13.245 2.073 1.00 0.05 H new ATOM 0 HA LYS A 21 0.937 -15.279 2.865 1.00 0.08 H new ATOM 0 HB2 LYS A 21 -2.128 -15.209 3.062 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -1.074 -16.254 3.994 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -0.919 -13.199 4.084 1.00 0.16 H new ATOM 0 HG3 LYS A 21 -1.852 -14.148 5.224 1.00 0.16 H new ATOM 0 HD2 LYS A 21 0.396 -15.475 5.626 1.00 0.20 H new ATOM 0 HD3 LYS A 21 1.171 -14.110 4.846 1.00 0.20 H new ATOM 0 HE2 LYS A 21 0.141 -12.549 6.500 1.00 0.35 H new ATOM 0 HE3 LYS A 21 -0.706 -13.883 7.257 1.00 0.35 H new ATOM 0 HZ1 LYS A 21 1.342 -13.363 8.439 1.00 2.14 H new ATOM 0 HZ2 LYS A 21 1.438 -14.920 7.768 1.00 2.14 H new ATOM 0 HZ3 LYS A 21 2.259 -13.627 7.034 1.00 2.14 H new ATOM 337 N ASP A 22 -0.894 -15.966 0.297 1.00 0.05 N ATOM 338 CA ASP A 22 -1.144 -17.068 -0.691 1.00 0.12 C ATOM 339 C ASP A 22 -0.104 -17.031 -1.808 1.00 0.17 C ATOM 340 O ASP A 22 -0.089 -17.889 -2.668 1.00 0.24 O ATOM 341 CB ASP A 22 -2.543 -16.872 -1.293 1.00 0.17 C ATOM 342 CG ASP A 22 -3.098 -18.211 -1.792 1.00 0.26 C ATOM 343 OD1 ASP A 22 -2.344 -19.170 -1.819 1.00 0.97 O ATOM 344 OD2 ASP A 22 -4.267 -18.253 -2.138 1.00 0.81 O ATOM 0 H ASP A 22 -1.249 -15.048 0.031 1.00 0.05 H new ATOM 0 HA ASP A 22 -1.075 -18.031 -0.185 1.00 0.12 H new ATOM 0 HB2 ASP A 22 -3.213 -16.449 -0.544 1.00 0.17 H new ATOM 0 HB3 ASP A 22 -2.496 -16.160 -2.117 1.00 0.17 H new ATOM 349 N GLY A 23 0.761 -16.059 -1.828 1.00 0.16 N ATOM 350 CA GLY A 23 1.778 -16.000 -2.915 1.00 0.24 C ATOM 351 C GLY A 23 1.088 -15.597 -4.219 1.00 0.27 C ATOM 352 O GLY A 23 1.462 -16.033 -5.290 1.00 0.34 O ATOM 0 H GLY A 23 0.809 -15.305 -1.143 1.00 0.16 H new ATOM 0 HA2 GLY A 23 2.557 -15.281 -2.663 1.00 0.24 H new ATOM 0 HA3 GLY A 23 2.264 -16.969 -3.030 1.00 0.24 H new ATOM 356 N ASP A 24 0.084 -14.759 -4.135 1.00 0.23 N ATOM 357 CA ASP A 24 -0.641 -14.309 -5.365 1.00 0.28 C ATOM 358 C ASP A 24 -0.176 -12.905 -5.773 1.00 0.25 C ATOM 359 O ASP A 24 -0.563 -12.388 -6.802 1.00 0.30 O ATOM 360 CB ASP A 24 -2.149 -14.307 -5.111 1.00 0.31 C ATOM 361 CG ASP A 24 -2.890 -14.085 -6.431 1.00 0.54 C ATOM 362 OD1 ASP A 24 -2.293 -14.315 -7.470 1.00 0.49 O ATOM 363 OD2 ASP A 24 -4.043 -13.687 -6.381 1.00 1.66 O ATOM 0 H ASP A 24 -0.267 -14.365 -3.262 1.00 0.23 H new ATOM 0 HA ASP A 24 -0.418 -15.001 -6.177 1.00 0.28 H new ATOM 0 HB2 ASP A 24 -2.454 -15.254 -4.665 1.00 0.31 H new ATOM 0 HB3 ASP A 24 -2.408 -13.522 -4.400 1.00 0.31 H new ATOM 368 N GLY A 25 0.669 -12.294 -4.983 1.00 0.17 N ATOM 369 CA GLY A 25 1.179 -10.938 -5.337 1.00 0.13 C ATOM 370 C GLY A 25 0.149 -9.856 -4.991 1.00 0.11 C ATOM 371 O GLY A 25 0.231 -8.746 -5.480 1.00 0.09 O ATOM 0 H GLY A 25 1.027 -12.677 -4.108 1.00 0.17 H new ATOM 0 HA2 GLY A 25 2.109 -10.744 -4.802 1.00 0.13 H new ATOM 0 HA3 GLY A 25 1.409 -10.899 -6.402 1.00 0.13 H new ATOM 375 N THR A 26 -0.827 -10.165 -4.165 1.00 0.12 N ATOM 376 CA THR A 26 -1.869 -9.145 -3.806 1.00 0.10 C ATOM 377 C THR A 26 -2.113 -9.132 -2.297 1.00 0.09 C ATOM 378 O THR A 26 -1.877 -10.099 -1.600 1.00 0.09 O ATOM 379 CB THR A 26 -3.183 -9.472 -4.521 1.00 0.13 C ATOM 380 OG1 THR A 26 -3.637 -10.755 -4.112 1.00 0.16 O ATOM 381 CG2 THR A 26 -2.960 -9.469 -6.035 1.00 0.13 C ATOM 0 H THR A 26 -0.947 -11.077 -3.725 1.00 0.12 H new ATOM 0 HA THR A 26 -1.510 -8.164 -4.118 1.00 0.10 H new ATOM 0 HB THR A 26 -3.931 -8.721 -4.265 1.00 0.13 H new ATOM 0 HG1 THR A 26 -4.479 -10.965 -4.568 1.00 0.16 H new ATOM 0 HG21 THR A 26 -3.897 -9.702 -6.541 1.00 0.13 H new ATOM 0 HG22 THR A 26 -2.613 -8.485 -6.350 1.00 0.13 H new ATOM 0 HG23 THR A 26 -2.212 -10.218 -6.294 1.00 0.13 H new ATOM 389 N ILE A 27 -2.607 -8.028 -1.803 1.00 0.08 N ATOM 390 CA ILE A 27 -2.910 -7.901 -0.347 1.00 0.06 C ATOM 391 C ILE A 27 -4.309 -7.306 -0.218 1.00 0.08 C ATOM 392 O ILE A 27 -4.788 -6.639 -1.113 1.00 0.11 O ATOM 393 CB ILE A 27 -1.883 -6.982 0.338 1.00 0.06 C ATOM 394 CG1 ILE A 27 -1.912 -5.581 -0.294 1.00 0.06 C ATOM 395 CG2 ILE A 27 -0.482 -7.585 0.191 1.00 0.07 C ATOM 396 CD1 ILE A 27 -0.932 -4.660 0.440 1.00 0.07 C ATOM 0 H ILE A 27 -2.817 -7.196 -2.355 1.00 0.08 H new ATOM 0 HA ILE A 27 -2.860 -8.877 0.135 1.00 0.06 H new ATOM 0 HB ILE A 27 -2.136 -6.894 1.395 1.00 0.06 H new ATOM 0 HG12 ILE A 27 -1.646 -5.643 -1.349 1.00 0.06 H new ATOM 0 HG13 ILE A 27 -2.920 -5.170 -0.242 1.00 0.06 H new ATOM 0 HG21 ILE A 27 0.247 -6.935 0.676 1.00 0.07 H new ATOM 0 HG22 ILE A 27 -0.458 -8.569 0.659 1.00 0.07 H new ATOM 0 HG23 ILE A 27 -0.236 -7.680 -0.867 1.00 0.07 H new ATOM 0 HD11 ILE A 27 -0.957 -3.668 -0.012 1.00 0.07 H new ATOM 0 HD12 ILE A 27 -1.217 -4.588 1.490 1.00 0.07 H new ATOM 0 HD13 ILE A 27 0.076 -5.068 0.365 1.00 0.07 H new ATOM 408 N THR A 28 -4.981 -7.541 0.869 1.00 0.08 N ATOM 409 CA THR A 28 -6.354 -6.983 1.014 1.00 0.09 C ATOM 410 C THR A 28 -6.296 -5.532 1.490 1.00 0.06 C ATOM 411 O THR A 28 -5.303 -5.074 2.018 1.00 0.02 O ATOM 412 CB THR A 28 -7.137 -7.792 2.047 1.00 0.11 C ATOM 413 OG1 THR A 28 -6.818 -7.313 3.349 1.00 0.09 O ATOM 414 CG2 THR A 28 -6.775 -9.276 1.942 1.00 0.12 C ATOM 0 H THR A 28 -4.645 -8.091 1.660 1.00 0.08 H new ATOM 0 HA THR A 28 -6.843 -7.033 0.041 1.00 0.09 H new ATOM 0 HB THR A 28 -8.205 -7.679 1.860 1.00 0.11 H new ATOM 0 HG1 THR A 28 -7.318 -7.826 4.018 1.00 0.09 H new ATOM 0 HG21 THR A 28 -7.340 -9.842 2.683 1.00 0.12 H new ATOM 0 HG22 THR A 28 -7.019 -9.640 0.944 1.00 0.12 H new ATOM 0 HG23 THR A 28 -5.708 -9.404 2.124 1.00 0.12 H new ATOM 422 N THR A 29 -7.372 -4.815 1.318 1.00 0.08 N ATOM 423 CA THR A 29 -7.427 -3.398 1.765 1.00 0.06 C ATOM 424 C THR A 29 -7.270 -3.307 3.289 1.00 0.07 C ATOM 425 O THR A 29 -6.692 -2.372 3.807 1.00 0.06 O ATOM 426 CB THR A 29 -8.782 -2.809 1.356 1.00 0.07 C ATOM 427 OG1 THR A 29 -9.808 -3.751 1.637 1.00 0.08 O ATOM 428 CG2 THR A 29 -8.773 -2.495 -0.141 1.00 0.07 C ATOM 0 H THR A 29 -8.227 -5.158 0.880 1.00 0.08 H new ATOM 0 HA THR A 29 -6.613 -2.841 1.300 1.00 0.06 H new ATOM 0 HB THR A 29 -8.965 -1.892 1.916 1.00 0.07 H new ATOM 0 HG1 THR A 29 -10.676 -3.376 1.378 1.00 0.08 H new ATOM 0 HG21 THR A 29 -9.737 -2.076 -0.431 1.00 0.07 H new ATOM 0 HG22 THR A 29 -7.985 -1.774 -0.357 1.00 0.07 H new ATOM 0 HG23 THR A 29 -8.591 -3.411 -0.704 1.00 0.07 H new ATOM 436 N LYS A 30 -7.795 -4.259 4.009 1.00 0.10 N ATOM 437 CA LYS A 30 -7.700 -4.225 5.500 1.00 0.13 C ATOM 438 C LYS A 30 -6.241 -4.347 5.961 1.00 0.11 C ATOM 439 O LYS A 30 -5.913 -3.992 7.076 1.00 0.14 O ATOM 440 CB LYS A 30 -8.507 -5.391 6.074 1.00 0.17 C ATOM 441 CG LYS A 30 -9.997 -5.157 5.818 1.00 0.26 C ATOM 442 CD LYS A 30 -10.802 -6.324 6.393 1.00 0.39 C ATOM 443 CE LYS A 30 -12.293 -6.096 6.139 1.00 1.87 C ATOM 444 NZ LYS A 30 -13.062 -7.287 6.602 1.00 3.55 N ATOM 0 H LYS A 30 -8.290 -5.066 3.628 1.00 0.10 H new ATOM 0 HA LYS A 30 -8.096 -3.273 5.855 1.00 0.13 H new ATOM 0 HB2 LYS A 30 -8.191 -6.327 5.614 1.00 0.17 H new ATOM 0 HB3 LYS A 30 -8.321 -5.483 7.144 1.00 0.17 H new ATOM 0 HG2 LYS A 30 -10.314 -4.221 6.278 1.00 0.26 H new ATOM 0 HG3 LYS A 30 -10.183 -5.065 4.748 1.00 0.26 H new ATOM 0 HD2 LYS A 30 -10.484 -7.260 5.933 1.00 0.39 H new ATOM 0 HD3 LYS A 30 -10.615 -6.415 7.463 1.00 0.39 H new ATOM 0 HE2 LYS A 30 -12.631 -5.204 6.666 1.00 1.87 H new ATOM 0 HE3 LYS A 30 -12.470 -5.925 5.077 1.00 1.87 H new ATOM 0 HZ1 LYS A 30 -14.076 -7.134 6.430 1.00 3.55 H new ATOM 0 HZ2 LYS A 30 -12.746 -8.129 6.080 1.00 3.55 H new ATOM 0 HZ3 LYS A 30 -12.901 -7.430 7.619 1.00 3.55 H new ATOM 458 N GLU A 31 -5.366 -4.879 5.140 1.00 0.07 N ATOM 459 CA GLU A 31 -3.941 -5.055 5.579 1.00 0.08 C ATOM 460 C GLU A 31 -3.085 -3.900 5.048 1.00 0.08 C ATOM 461 O GLU A 31 -1.901 -3.824 5.310 1.00 0.17 O ATOM 462 CB GLU A 31 -3.398 -6.372 5.023 1.00 0.07 C ATOM 463 CG GLU A 31 -4.216 -7.541 5.575 1.00 0.10 C ATOM 464 CD GLU A 31 -3.873 -8.816 4.802 1.00 0.08 C ATOM 465 OE1 GLU A 31 -3.371 -8.699 3.696 1.00 0.25 O ATOM 466 OE2 GLU A 31 -4.119 -9.889 5.328 1.00 0.22 O ATOM 0 H GLU A 31 -5.573 -5.197 4.193 1.00 0.07 H new ATOM 0 HA GLU A 31 -3.902 -5.065 6.668 1.00 0.08 H new ATOM 0 HB2 GLU A 31 -3.445 -6.365 3.934 1.00 0.07 H new ATOM 0 HB3 GLU A 31 -2.349 -6.488 5.296 1.00 0.07 H new ATOM 0 HG2 GLU A 31 -4.004 -7.678 6.635 1.00 0.10 H new ATOM 0 HG3 GLU A 31 -5.281 -7.326 5.488 1.00 0.10 H new ATOM 473 N LEU A 32 -3.669 -3.002 4.304 1.00 0.08 N ATOM 474 CA LEU A 32 -2.876 -1.860 3.763 1.00 0.06 C ATOM 475 C LEU A 32 -2.296 -1.036 4.921 1.00 0.07 C ATOM 476 O LEU A 32 -1.115 -0.755 4.962 1.00 0.06 O ATOM 477 CB LEU A 32 -3.790 -0.992 2.885 1.00 0.05 C ATOM 478 CG LEU A 32 -3.104 0.330 2.524 1.00 0.03 C ATOM 479 CD1 LEU A 32 -1.735 0.051 1.904 1.00 0.03 C ATOM 480 CD2 LEU A 32 -3.974 1.086 1.516 1.00 0.02 C ATOM 0 H LEU A 32 -4.656 -3.008 4.048 1.00 0.08 H new ATOM 0 HA LEU A 32 -2.048 -2.232 3.160 1.00 0.06 H new ATOM 0 HB2 LEU A 32 -4.048 -1.533 1.975 1.00 0.05 H new ATOM 0 HB3 LEU A 32 -4.723 -0.791 3.411 1.00 0.05 H new ATOM 0 HG LEU A 32 -2.973 0.930 3.425 1.00 0.03 H new ATOM 0 HD11 LEU A 32 -1.252 0.994 1.649 1.00 0.03 H new ATOM 0 HD12 LEU A 32 -1.116 -0.492 2.618 1.00 0.03 H new ATOM 0 HD13 LEU A 32 -1.859 -0.548 1.002 1.00 0.03 H new ATOM 0 HD21 LEU A 32 -3.492 2.028 1.254 1.00 0.02 H new ATOM 0 HD22 LEU A 32 -4.100 0.481 0.618 1.00 0.02 H new ATOM 0 HD23 LEU A 32 -4.950 1.288 1.957 1.00 0.02 H new ATOM 492 N GLY A 33 -3.114 -0.647 5.863 1.00 0.07 N ATOM 493 CA GLY A 33 -2.604 0.156 7.011 1.00 0.08 C ATOM 494 C GLY A 33 -1.432 -0.568 7.690 1.00 0.07 C ATOM 495 O GLY A 33 -0.414 0.026 7.980 1.00 0.08 O ATOM 0 H GLY A 33 -4.113 -0.851 5.886 1.00 0.07 H new ATOM 0 HA2 GLY A 33 -2.281 1.137 6.662 1.00 0.08 H new ATOM 0 HA3 GLY A 33 -3.405 0.321 7.732 1.00 0.08 H new ATOM 499 N THR A 34 -1.568 -1.839 7.967 1.00 0.07 N ATOM 500 CA THR A 34 -0.454 -2.571 8.648 1.00 0.07 C ATOM 501 C THR A 34 0.811 -2.525 7.781 1.00 0.06 C ATOM 502 O THR A 34 1.898 -2.302 8.275 1.00 0.06 O ATOM 503 CB THR A 34 -0.856 -4.026 8.899 1.00 0.09 C ATOM 504 OG1 THR A 34 -2.081 -4.059 9.618 1.00 0.14 O ATOM 505 CG2 THR A 34 0.234 -4.722 9.714 1.00 0.07 C ATOM 0 H THR A 34 -2.393 -2.399 7.754 1.00 0.07 H new ATOM 0 HA THR A 34 -0.250 -2.089 9.604 1.00 0.07 H new ATOM 0 HB THR A 34 -0.980 -4.540 7.946 1.00 0.09 H new ATOM 0 HG1 THR A 34 -2.341 -4.990 9.778 1.00 0.14 H new ATOM 0 HG21 THR A 34 -0.052 -5.759 9.893 1.00 0.07 H new ATOM 0 HG22 THR A 34 1.174 -4.695 9.163 1.00 0.07 H new ATOM 0 HG23 THR A 34 0.358 -4.210 10.668 1.00 0.07 H new ATOM 513 N VAL A 35 0.685 -2.710 6.490 1.00 0.06 N ATOM 514 CA VAL A 35 1.895 -2.644 5.617 1.00 0.07 C ATOM 515 C VAL A 35 2.488 -1.237 5.756 1.00 0.05 C ATOM 516 O VAL A 35 3.684 -1.056 5.869 1.00 0.10 O ATOM 517 CB VAL A 35 1.505 -2.896 4.155 1.00 0.11 C ATOM 518 CG1 VAL A 35 2.696 -2.587 3.241 1.00 0.09 C ATOM 519 CG2 VAL A 35 1.091 -4.359 3.971 1.00 0.16 C ATOM 0 H VAL A 35 -0.193 -2.902 6.008 1.00 0.06 H new ATOM 0 HA VAL A 35 2.619 -3.402 5.914 1.00 0.07 H new ATOM 0 HB VAL A 35 0.668 -2.248 3.895 1.00 0.11 H new ATOM 0 HG11 VAL A 35 2.415 -2.767 2.203 1.00 0.09 H new ATOM 0 HG12 VAL A 35 2.986 -1.543 3.362 1.00 0.09 H new ATOM 0 HG13 VAL A 35 3.535 -3.230 3.507 1.00 0.09 H new ATOM 0 HG21 VAL A 35 0.815 -4.531 2.931 1.00 0.16 H new ATOM 0 HG22 VAL A 35 1.924 -5.009 4.238 1.00 0.16 H new ATOM 0 HG23 VAL A 35 0.238 -4.579 4.613 1.00 0.16 H new ATOM 529 N MET A 36 1.638 -0.242 5.761 1.00 0.09 N ATOM 530 CA MET A 36 2.114 1.165 5.905 1.00 0.06 C ATOM 531 C MET A 36 2.849 1.331 7.245 1.00 0.04 C ATOM 532 O MET A 36 3.931 1.880 7.311 1.00 0.08 O ATOM 533 CB MET A 36 0.910 2.114 5.845 1.00 0.05 C ATOM 534 CG MET A 36 0.465 2.308 4.389 1.00 0.14 C ATOM 535 SD MET A 36 1.486 3.583 3.611 1.00 1.20 S ATOM 536 CE MET A 36 0.962 3.276 1.907 1.00 0.40 C ATOM 0 H MET A 36 0.627 -0.346 5.671 1.00 0.09 H new ATOM 0 HA MET A 36 2.803 1.403 5.095 1.00 0.06 H new ATOM 0 HB2 MET A 36 0.087 1.708 6.434 1.00 0.05 H new ATOM 0 HB3 MET A 36 1.173 3.076 6.285 1.00 0.05 H new ATOM 0 HG2 MET A 36 0.556 1.370 3.842 1.00 0.14 H new ATOM 0 HG3 MET A 36 -0.585 2.597 4.354 1.00 0.14 H new ATOM 0 HE1 MET A 36 1.336 4.072 1.263 1.00 0.40 H new ATOM 0 HE2 MET A 36 1.361 2.319 1.570 1.00 0.40 H new ATOM 0 HE3 MET A 36 -0.127 3.252 1.860 1.00 0.40 H new ATOM 546 N ARG A 37 2.265 0.837 8.312 1.00 0.09 N ATOM 547 CA ARG A 37 2.913 0.935 9.658 1.00 0.12 C ATOM 548 C ARG A 37 4.269 0.220 9.620 1.00 0.08 C ATOM 549 O ARG A 37 5.244 0.694 10.168 1.00 0.09 O ATOM 550 CB ARG A 37 2.019 0.247 10.696 1.00 0.23 C ATOM 551 CG ARG A 37 0.748 1.079 10.920 1.00 0.27 C ATOM 552 CD ARG A 37 -0.053 0.525 12.121 1.00 0.86 C ATOM 553 NE ARG A 37 -1.506 0.408 11.765 1.00 0.40 N ATOM 554 CZ ARG A 37 -2.142 1.385 11.171 1.00 0.76 C ATOM 555 NH1 ARG A 37 -1.546 2.522 10.946 1.00 0.69 N ATOM 556 NH2 ARG A 37 -3.390 1.228 10.825 1.00 1.54 N ATOM 0 H ARG A 37 1.360 0.367 8.307 1.00 0.09 H new ATOM 0 HA ARG A 37 3.054 1.983 9.922 1.00 0.12 H new ATOM 0 HB2 ARG A 37 1.754 -0.754 10.355 1.00 0.23 H new ATOM 0 HB3 ARG A 37 2.559 0.131 11.636 1.00 0.23 H new ATOM 0 HG2 ARG A 37 1.014 2.120 11.101 1.00 0.27 H new ATOM 0 HG3 ARG A 37 0.130 1.060 10.022 1.00 0.27 H new ATOM 0 HD2 ARG A 37 0.338 -0.451 12.409 1.00 0.86 H new ATOM 0 HD3 ARG A 37 0.066 1.183 12.982 1.00 0.86 H new ATOM 0 HE ARG A 37 -2.008 -0.451 11.991 1.00 0.40 H new ATOM 0 HH11 ARG A 37 -0.576 2.655 11.234 1.00 0.69 H new ATOM 0 HH12 ARG A 37 -2.049 3.279 10.482 1.00 0.69 H new ATOM 0 HH21 ARG A 37 -3.866 0.347 11.018 1.00 1.54 H new ATOM 0 HH22 ARG A 37 -3.890 1.987 10.362 1.00 1.54 H new ATOM 570 N SER A 38 4.345 -0.906 8.957 1.00 0.08 N ATOM 571 CA SER A 38 5.648 -1.629 8.866 1.00 0.10 C ATOM 572 C SER A 38 6.602 -0.810 7.988 1.00 0.10 C ATOM 573 O SER A 38 7.806 -0.937 8.090 1.00 0.13 O ATOM 574 CB SER A 38 5.445 -3.019 8.262 1.00 0.16 C ATOM 575 OG SER A 38 5.114 -2.887 6.885 1.00 0.13 O ATOM 0 H SER A 38 3.564 -1.354 8.477 1.00 0.08 H new ATOM 0 HA SER A 38 6.070 -1.749 9.864 1.00 0.10 H new ATOM 0 HB2 SER A 38 6.352 -3.614 8.375 1.00 0.16 H new ATOM 0 HB3 SER A 38 4.650 -3.546 8.790 1.00 0.16 H new ATOM 0 HG SER A 38 4.590 -2.070 6.751 1.00 0.13 H new ATOM 581 N LEU A 39 6.086 0.021 7.119 1.00 0.10 N ATOM 582 CA LEU A 39 6.983 0.826 6.238 1.00 0.16 C ATOM 583 C LEU A 39 7.443 2.100 6.963 1.00 0.14 C ATOM 584 O LEU A 39 8.291 2.822 6.477 1.00 0.18 O ATOM 585 CB LEU A 39 6.239 1.203 4.953 1.00 0.22 C ATOM 586 CG LEU A 39 6.098 -0.033 4.050 1.00 0.26 C ATOM 587 CD1 LEU A 39 5.159 0.300 2.887 1.00 0.27 C ATOM 588 CD2 LEU A 39 7.476 -0.467 3.500 1.00 0.25 C ATOM 0 H LEU A 39 5.087 0.176 6.982 1.00 0.10 H new ATOM 0 HA LEU A 39 7.860 0.229 5.989 1.00 0.16 H new ATOM 0 HB2 LEU A 39 5.254 1.601 5.196 1.00 0.22 H new ATOM 0 HB3 LEU A 39 6.780 1.989 4.426 1.00 0.22 H new ATOM 0 HG LEU A 39 5.687 -0.855 4.636 1.00 0.26 H new ATOM 0 HD11 LEU A 39 5.055 -0.573 2.242 1.00 0.27 H new ATOM 0 HD12 LEU A 39 4.181 0.581 3.278 1.00 0.27 H new ATOM 0 HD13 LEU A 39 5.572 1.129 2.312 1.00 0.27 H new ATOM 0 HD21 LEU A 39 7.354 -1.343 2.863 1.00 0.25 H new ATOM 0 HD22 LEU A 39 7.908 0.347 2.918 1.00 0.25 H new ATOM 0 HD23 LEU A 39 8.139 -0.711 4.330 1.00 0.25 H new ATOM 600 N GLY A 40 6.915 2.372 8.134 1.00 0.09 N ATOM 601 CA GLY A 40 7.347 3.588 8.903 1.00 0.12 C ATOM 602 C GLY A 40 6.375 4.756 8.693 1.00 0.20 C ATOM 603 O GLY A 40 6.787 5.898 8.657 1.00 0.23 O ATOM 0 H GLY A 40 6.202 1.804 8.592 1.00 0.09 H new ATOM 0 HA2 GLY A 40 7.406 3.347 9.965 1.00 0.12 H new ATOM 0 HA3 GLY A 40 8.348 3.884 8.587 1.00 0.12 H new ATOM 607 N GLN A 41 5.097 4.492 8.568 1.00 0.21 N ATOM 608 CA GLN A 41 4.104 5.603 8.378 1.00 0.28 C ATOM 609 C GLN A 41 3.002 5.461 9.431 1.00 0.28 C ATOM 610 O GLN A 41 2.726 4.375 9.901 1.00 0.24 O ATOM 611 CB GLN A 41 3.482 5.492 6.984 1.00 0.29 C ATOM 612 CG GLN A 41 4.575 5.625 5.923 1.00 0.36 C ATOM 613 CD GLN A 41 5.098 7.062 5.906 1.00 0.90 C ATOM 614 OE1 GLN A 41 4.339 7.999 6.053 1.00 1.65 O ATOM 615 NE2 GLN A 41 6.373 7.277 5.732 1.00 1.77 N ATOM 0 H GLN A 41 4.695 3.555 8.589 1.00 0.21 H new ATOM 0 HA GLN A 41 4.600 6.568 8.481 1.00 0.28 H new ATOM 0 HB2 GLN A 41 2.972 4.535 6.877 1.00 0.29 H new ATOM 0 HB3 GLN A 41 2.731 6.270 6.847 1.00 0.29 H new ATOM 0 HG2 GLN A 41 5.390 4.933 6.136 1.00 0.36 H new ATOM 0 HG3 GLN A 41 4.179 5.359 4.943 1.00 0.36 H new ATOM 0 HE21 GLN A 41 7.011 6.490 5.609 1.00 1.77 H new ATOM 0 HE22 GLN A 41 6.732 8.232 5.719 1.00 1.77 H new ATOM 624 N ASN A 42 2.377 6.547 9.821 1.00 0.33 N ATOM 625 CA ASN A 42 1.299 6.502 10.859 1.00 0.33 C ATOM 626 C ASN A 42 0.071 7.254 10.328 1.00 0.35 C ATOM 627 O ASN A 42 -0.127 8.415 10.630 1.00 0.40 O ATOM 628 CB ASN A 42 1.802 7.193 12.129 1.00 0.39 C ATOM 629 CG ASN A 42 0.814 6.953 13.272 1.00 0.41 C ATOM 630 OD1 ASN A 42 -0.237 6.376 13.072 1.00 1.24 O ATOM 631 ND2 ASN A 42 1.109 7.375 14.471 1.00 1.44 N ATOM 0 H ASN A 42 2.573 7.479 9.456 1.00 0.33 H new ATOM 0 HA ASN A 42 1.035 5.468 11.082 1.00 0.33 H new ATOM 0 HB2 ASN A 42 2.786 6.808 12.399 1.00 0.39 H new ATOM 0 HB3 ASN A 42 1.916 8.263 11.952 1.00 0.39 H new ATOM 0 HD21 ASN A 42 0.458 7.221 15.241 1.00 1.44 H new ATOM 0 HD22 ASN A 42 1.991 7.859 14.639 1.00 1.44 H new ATOM 638 N PRO A 43 -0.733 6.608 9.522 1.00 0.32 N ATOM 639 CA PRO A 43 -1.943 7.233 8.914 1.00 0.34 C ATOM 640 C PRO A 43 -3.166 7.230 9.844 1.00 0.33 C ATOM 641 O PRO A 43 -3.327 6.344 10.659 1.00 0.34 O ATOM 642 CB PRO A 43 -2.193 6.342 7.689 1.00 0.33 C ATOM 643 CG PRO A 43 -1.743 4.983 8.113 1.00 0.28 C ATOM 644 CD PRO A 43 -0.582 5.201 9.095 1.00 0.27 C ATOM 0 HA PRO A 43 -1.788 8.288 8.687 1.00 0.34 H new ATOM 0 HB2 PRO A 43 -3.246 6.341 7.408 1.00 0.33 H new ATOM 0 HB3 PRO A 43 -1.632 6.693 6.823 1.00 0.33 H new ATOM 0 HG2 PRO A 43 -2.556 4.435 8.588 1.00 0.28 H new ATOM 0 HG3 PRO A 43 -1.421 4.394 7.254 1.00 0.28 H new ATOM 0 HD2 PRO A 43 -0.643 4.518 9.942 1.00 0.27 H new ATOM 0 HD3 PRO A 43 0.382 5.031 8.617 1.00 0.27 H new ATOM 652 N THR A 44 -4.042 8.198 9.721 1.00 0.33 N ATOM 653 CA THR A 44 -5.249 8.205 10.596 1.00 0.32 C ATOM 654 C THR A 44 -6.302 7.281 9.993 1.00 0.32 C ATOM 655 O THR A 44 -6.164 6.812 8.881 1.00 0.33 O ATOM 656 CB THR A 44 -5.827 9.614 10.705 1.00 0.31 C ATOM 657 OG1 THR A 44 -6.030 10.138 9.405 1.00 0.31 O ATOM 658 CG2 THR A 44 -4.859 10.510 11.475 1.00 0.38 C ATOM 0 H THR A 44 -3.973 8.973 9.061 1.00 0.33 H new ATOM 0 HA THR A 44 -4.966 7.864 11.592 1.00 0.32 H new ATOM 0 HB THR A 44 -6.778 9.577 11.236 1.00 0.31 H new ATOM 0 HG1 THR A 44 -6.403 11.042 9.471 1.00 0.31 H new ATOM 0 HG21 THR A 44 -5.275 11.515 11.551 1.00 0.38 H new ATOM 0 HG22 THR A 44 -4.705 10.105 12.475 1.00 0.38 H new ATOM 0 HG23 THR A 44 -3.905 10.551 10.950 1.00 0.38 H new ATOM 666 N GLU A 45 -7.345 6.998 10.720 1.00 0.32 N ATOM 667 CA GLU A 45 -8.391 6.087 10.188 1.00 0.32 C ATOM 668 C GLU A 45 -9.072 6.716 8.967 1.00 0.25 C ATOM 669 O GLU A 45 -9.291 6.061 7.967 1.00 0.23 O ATOM 670 CB GLU A 45 -9.426 5.818 11.280 1.00 0.35 C ATOM 671 CG GLU A 45 -8.849 4.839 12.305 1.00 0.51 C ATOM 672 CD GLU A 45 -9.883 4.573 13.401 1.00 0.44 C ATOM 673 OE1 GLU A 45 -10.887 5.265 13.423 1.00 1.20 O ATOM 674 OE2 GLU A 45 -9.652 3.680 14.201 1.00 1.56 O ATOM 0 H GLU A 45 -7.517 7.358 11.659 1.00 0.32 H new ATOM 0 HA GLU A 45 -7.929 5.148 9.882 1.00 0.32 H new ATOM 0 HB2 GLU A 45 -9.703 6.751 11.770 1.00 0.35 H new ATOM 0 HB3 GLU A 45 -10.335 5.406 10.840 1.00 0.35 H new ATOM 0 HG2 GLU A 45 -8.575 3.904 11.816 1.00 0.51 H new ATOM 0 HG3 GLU A 45 -7.939 5.249 12.742 1.00 0.51 H new ATOM 681 N ALA A 46 -9.412 7.974 9.033 1.00 0.22 N ATOM 682 CA ALA A 46 -10.081 8.621 7.865 1.00 0.16 C ATOM 683 C ALA A 46 -9.143 8.598 6.656 1.00 0.18 C ATOM 684 O ALA A 46 -9.569 8.378 5.540 1.00 0.17 O ATOM 685 CB ALA A 46 -10.442 10.070 8.212 1.00 0.12 C ATOM 0 H ALA A 46 -9.258 8.580 9.839 1.00 0.22 H new ATOM 0 HA ALA A 46 -10.992 8.073 7.624 1.00 0.16 H new ATOM 0 HB1 ALA A 46 -10.930 10.538 7.357 1.00 0.12 H new ATOM 0 HB2 ALA A 46 -11.118 10.082 9.067 1.00 0.12 H new ATOM 0 HB3 ALA A 46 -9.535 10.622 8.459 1.00 0.12 H new ATOM 691 N GLU A 47 -7.869 8.801 6.859 1.00 0.22 N ATOM 692 CA GLU A 47 -6.932 8.761 5.702 1.00 0.27 C ATOM 693 C GLU A 47 -6.884 7.334 5.172 1.00 0.29 C ATOM 694 O GLU A 47 -6.802 7.109 3.984 1.00 0.32 O ATOM 695 CB GLU A 47 -5.529 9.173 6.133 1.00 0.32 C ATOM 696 CG GLU A 47 -5.499 10.668 6.446 1.00 0.32 C ATOM 697 CD GLU A 47 -4.088 11.068 6.877 1.00 0.59 C ATOM 698 OE1 GLU A 47 -3.283 10.178 7.094 1.00 0.97 O ATOM 699 OE2 GLU A 47 -3.836 12.257 6.983 1.00 0.46 O ATOM 0 H GLU A 47 -7.441 8.991 7.765 1.00 0.22 H new ATOM 0 HA GLU A 47 -7.280 9.452 4.934 1.00 0.27 H new ATOM 0 HB2 GLU A 47 -5.227 8.603 7.011 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -4.814 8.944 5.343 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -5.799 11.241 5.568 1.00 0.32 H new ATOM 0 HG3 GLU A 47 -6.212 10.900 7.237 1.00 0.32 H new ATOM 706 N LEU A 48 -6.949 6.358 6.043 1.00 0.30 N ATOM 707 CA LEU A 48 -6.918 4.946 5.575 1.00 0.33 C ATOM 708 C LEU A 48 -8.194 4.648 4.794 1.00 0.29 C ATOM 709 O LEU A 48 -8.156 4.034 3.755 1.00 0.31 O ATOM 710 CB LEU A 48 -6.825 3.982 6.768 1.00 0.36 C ATOM 711 CG LEU A 48 -5.423 4.019 7.395 1.00 0.35 C ATOM 712 CD1 LEU A 48 -5.451 3.250 8.721 1.00 0.49 C ATOM 713 CD2 LEU A 48 -4.387 3.371 6.452 1.00 0.65 C ATOM 0 H LEU A 48 -7.022 6.481 7.053 1.00 0.30 H new ATOM 0 HA LEU A 48 -6.043 4.807 4.939 1.00 0.33 H new ATOM 0 HB2 LEU A 48 -7.570 4.251 7.517 1.00 0.36 H new ATOM 0 HB3 LEU A 48 -7.054 2.968 6.440 1.00 0.36 H new ATOM 0 HG LEU A 48 -5.138 5.057 7.564 1.00 0.35 H new ATOM 0 HD11 LEU A 48 -4.460 3.270 9.174 1.00 0.49 H new ATOM 0 HD12 LEU A 48 -6.169 3.716 9.397 1.00 0.49 H new ATOM 0 HD13 LEU A 48 -5.744 2.217 8.536 1.00 0.49 H new ATOM 0 HD21 LEU A 48 -3.401 3.408 6.915 1.00 0.65 H new ATOM 0 HD22 LEU A 48 -4.663 2.333 6.267 1.00 0.65 H new ATOM 0 HD23 LEU A 48 -4.365 3.914 5.507 1.00 0.65 H new ATOM 725 N GLN A 49 -9.329 5.059 5.283 1.00 0.24 N ATOM 726 CA GLN A 49 -10.587 4.750 4.552 1.00 0.18 C ATOM 727 C GLN A 49 -10.576 5.402 3.168 1.00 0.18 C ATOM 728 O GLN A 49 -11.014 4.819 2.196 1.00 0.16 O ATOM 729 CB GLN A 49 -11.791 5.257 5.359 1.00 0.15 C ATOM 730 CG GLN A 49 -12.070 4.308 6.530 1.00 0.17 C ATOM 731 CD GLN A 49 -12.632 2.987 5.999 1.00 1.05 C ATOM 732 OE1 GLN A 49 -13.454 2.979 5.104 1.00 1.40 O ATOM 733 NE2 GLN A 49 -12.220 1.863 6.517 1.00 2.25 N ATOM 0 H GLN A 49 -9.440 5.589 6.147 1.00 0.24 H new ATOM 0 HA GLN A 49 -10.664 3.670 4.426 1.00 0.18 H new ATOM 0 HB2 GLN A 49 -11.593 6.262 5.733 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -12.669 5.324 4.716 1.00 0.15 H new ATOM 0 HG2 GLN A 49 -11.153 4.126 7.090 1.00 0.17 H new ATOM 0 HG3 GLN A 49 -12.779 4.765 7.220 1.00 0.17 H new ATOM 0 HE21 GLN A 49 -11.530 1.870 7.268 1.00 2.25 H new ATOM 0 HE22 GLN A 49 -12.588 0.977 6.171 1.00 2.25 H new ATOM 742 N ASP A 50 -10.091 6.609 3.068 1.00 0.21 N ATOM 743 CA ASP A 50 -10.069 7.288 1.745 1.00 0.23 C ATOM 744 C ASP A 50 -9.133 6.509 0.823 1.00 0.26 C ATOM 745 O ASP A 50 -9.428 6.285 -0.334 1.00 0.27 O ATOM 746 CB ASP A 50 -9.578 8.729 1.896 1.00 0.25 C ATOM 747 CG ASP A 50 -9.581 9.418 0.530 1.00 0.95 C ATOM 748 OD1 ASP A 50 -9.952 8.773 -0.437 1.00 1.54 O ATOM 749 OD2 ASP A 50 -9.212 10.580 0.474 1.00 1.73 O ATOM 0 H ASP A 50 -9.710 7.152 3.843 1.00 0.21 H new ATOM 0 HA ASP A 50 -11.074 7.315 1.324 1.00 0.23 H new ATOM 0 HB2 ASP A 50 -10.220 9.272 2.590 1.00 0.25 H new ATOM 0 HB3 ASP A 50 -8.573 8.739 2.317 1.00 0.25 H new ATOM 754 N MET A 51 -8.012 6.082 1.329 1.00 0.31 N ATOM 755 CA MET A 51 -7.067 5.304 0.487 1.00 0.34 C ATOM 756 C MET A 51 -7.761 4.012 0.061 1.00 0.30 C ATOM 757 O MET A 51 -7.581 3.531 -1.040 1.00 0.33 O ATOM 758 CB MET A 51 -5.810 4.982 1.299 1.00 0.40 C ATOM 759 CG MET A 51 -5.073 6.283 1.637 1.00 0.42 C ATOM 760 SD MET A 51 -4.101 6.816 0.207 1.00 0.53 S ATOM 761 CE MET A 51 -2.578 5.936 0.630 1.00 0.48 C ATOM 0 H MET A 51 -7.710 6.239 2.290 1.00 0.31 H new ATOM 0 HA MET A 51 -6.777 5.877 -0.394 1.00 0.34 H new ATOM 0 HB2 MET A 51 -6.080 4.456 2.215 1.00 0.40 H new ATOM 0 HB3 MET A 51 -5.157 4.319 0.731 1.00 0.40 H new ATOM 0 HG2 MET A 51 -5.789 7.058 1.913 1.00 0.42 H new ATOM 0 HG3 MET A 51 -4.421 6.131 2.497 1.00 0.42 H new ATOM 0 HE1 MET A 51 -2.129 5.529 -0.276 1.00 0.48 H new ATOM 0 HE2 MET A 51 -1.879 6.625 1.103 1.00 0.48 H new ATOM 0 HE3 MET A 51 -2.807 5.122 1.318 1.00 0.48 H new ATOM 771 N ILE A 52 -8.548 3.436 0.934 1.00 0.24 N ATOM 772 CA ILE A 52 -9.240 2.166 0.589 1.00 0.20 C ATOM 773 C ILE A 52 -10.302 2.420 -0.484 1.00 0.14 C ATOM 774 O ILE A 52 -10.444 1.664 -1.424 1.00 0.14 O ATOM 775 CB ILE A 52 -9.901 1.572 1.839 1.00 0.20 C ATOM 776 CG1 ILE A 52 -8.817 1.114 2.821 1.00 0.28 C ATOM 777 CG2 ILE A 52 -10.770 0.372 1.442 1.00 0.19 C ATOM 778 CD1 ILE A 52 -9.442 0.704 4.158 1.00 0.34 C ATOM 0 H ILE A 52 -8.739 3.794 1.870 1.00 0.24 H new ATOM 0 HA ILE A 52 -8.505 1.460 0.203 1.00 0.20 H new ATOM 0 HB ILE A 52 -10.525 2.330 2.312 1.00 0.20 H new ATOM 0 HG12 ILE A 52 -8.266 0.274 2.398 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -8.099 1.918 2.980 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -11.238 -0.048 2.332 1.00 0.19 H new ATOM 0 HG22 ILE A 52 -11.542 0.697 0.744 1.00 0.19 H new ATOM 0 HG23 ILE A 52 -10.148 -0.387 0.967 1.00 0.19 H new ATOM 0 HD11 ILE A 52 -8.658 0.382 4.843 1.00 0.34 H new ATOM 0 HD12 ILE A 52 -9.972 1.554 4.588 1.00 0.34 H new ATOM 0 HD13 ILE A 52 -10.142 -0.116 3.996 1.00 0.34 H new ATOM 790 N ASN A 53 -11.053 3.465 -0.340 1.00 0.12 N ATOM 791 CA ASN A 53 -12.118 3.766 -1.335 1.00 0.18 C ATOM 792 C ASN A 53 -11.514 4.117 -2.695 1.00 0.24 C ATOM 793 O ASN A 53 -12.157 3.971 -3.715 1.00 0.28 O ATOM 794 CB ASN A 53 -12.932 4.970 -0.821 1.00 0.27 C ATOM 795 CG ASN A 53 -14.319 4.983 -1.476 1.00 0.69 C ATOM 796 OD1 ASN A 53 -14.867 3.944 -1.785 1.00 1.12 O ATOM 797 ND2 ASN A 53 -14.914 6.124 -1.700 1.00 1.92 N ATOM 0 H ASN A 53 -10.978 4.132 0.428 1.00 0.12 H new ATOM 0 HA ASN A 53 -12.751 2.887 -1.457 1.00 0.18 H new ATOM 0 HB2 ASN A 53 -13.033 4.915 0.263 1.00 0.27 H new ATOM 0 HB3 ASN A 53 -12.406 5.898 -1.046 1.00 0.27 H new ATOM 0 HD21 ASN A 53 -15.837 6.141 -2.134 1.00 1.92 H new ATOM 0 HD22 ASN A 53 -14.456 6.998 -1.441 1.00 1.92 H new ATOM 804 N GLU A 54 -10.303 4.606 -2.733 1.00 0.26 N ATOM 805 CA GLU A 54 -9.704 4.988 -4.045 1.00 0.34 C ATOM 806 C GLU A 54 -9.199 3.739 -4.782 1.00 0.36 C ATOM 807 O GLU A 54 -9.557 3.491 -5.917 1.00 0.37 O ATOM 808 CB GLU A 54 -8.534 5.960 -3.808 1.00 0.39 C ATOM 809 CG GLU A 54 -9.064 7.389 -3.621 1.00 0.62 C ATOM 810 CD GLU A 54 -7.891 8.341 -3.383 1.00 0.57 C ATOM 811 OE1 GLU A 54 -6.786 7.855 -3.203 1.00 1.81 O ATOM 812 OE2 GLU A 54 -8.117 9.540 -3.384 1.00 0.90 O ATOM 0 H GLU A 54 -9.707 4.757 -1.919 1.00 0.26 H new ATOM 0 HA GLU A 54 -10.465 5.473 -4.657 1.00 0.34 H new ATOM 0 HB2 GLU A 54 -7.970 5.655 -2.926 1.00 0.39 H new ATOM 0 HB3 GLU A 54 -7.846 5.927 -4.653 1.00 0.39 H new ATOM 0 HG2 GLU A 54 -9.624 7.699 -4.503 1.00 0.62 H new ATOM 0 HG3 GLU A 54 -9.753 7.425 -2.777 1.00 0.62 H new ATOM 819 N VAL A 55 -8.338 2.979 -4.166 1.00 0.37 N ATOM 820 CA VAL A 55 -7.763 1.775 -4.837 1.00 0.40 C ATOM 821 C VAL A 55 -8.831 0.749 -5.169 1.00 0.32 C ATOM 822 O VAL A 55 -8.637 -0.082 -6.035 1.00 0.32 O ATOM 823 CB VAL A 55 -6.718 1.150 -3.920 1.00 0.40 C ATOM 824 CG1 VAL A 55 -6.001 0.016 -4.650 1.00 0.45 C ATOM 825 CG2 VAL A 55 -5.707 2.222 -3.511 1.00 0.54 C ATOM 0 H VAL A 55 -8.003 3.140 -3.216 1.00 0.37 H new ATOM 0 HA VAL A 55 -7.308 2.091 -5.776 1.00 0.40 H new ATOM 0 HB VAL A 55 -7.205 0.747 -3.032 1.00 0.40 H new ATOM 0 HG11 VAL A 55 -5.255 -0.427 -3.990 1.00 0.45 H new ATOM 0 HG12 VAL A 55 -6.725 -0.744 -4.941 1.00 0.45 H new ATOM 0 HG13 VAL A 55 -5.510 0.409 -5.540 1.00 0.45 H new ATOM 0 HG21 VAL A 55 -4.956 1.782 -2.855 1.00 0.54 H new ATOM 0 HG22 VAL A 55 -5.221 2.623 -4.401 1.00 0.54 H new ATOM 0 HG23 VAL A 55 -6.222 3.026 -2.986 1.00 0.54 H new ATOM 835 N ASP A 56 -9.944 0.785 -4.506 1.00 0.25 N ATOM 836 CA ASP A 56 -11.033 -0.210 -4.793 1.00 0.22 C ATOM 837 C ASP A 56 -12.222 0.505 -5.420 1.00 0.36 C ATOM 838 O ASP A 56 -13.353 0.361 -5.002 1.00 0.45 O ATOM 839 CB ASP A 56 -11.462 -0.898 -3.499 1.00 0.16 C ATOM 840 CG ASP A 56 -12.607 -1.850 -3.811 1.00 0.25 C ATOM 841 OD1 ASP A 56 -12.900 -2.011 -4.981 1.00 0.95 O ATOM 842 OD2 ASP A 56 -13.171 -2.401 -2.879 1.00 0.96 O ATOM 0 H ASP A 56 -10.159 1.459 -3.772 1.00 0.25 H new ATOM 0 HA ASP A 56 -10.660 -0.964 -5.486 1.00 0.22 H new ATOM 0 HB2 ASP A 56 -10.624 -1.444 -3.065 1.00 0.16 H new ATOM 0 HB3 ASP A 56 -11.776 -0.158 -2.763 1.00 0.16 H new ATOM 847 N ALA A 57 -11.955 1.294 -6.411 1.00 0.43 N ATOM 848 CA ALA A 57 -13.030 2.061 -7.084 1.00 0.56 C ATOM 849 C ALA A 57 -14.123 1.156 -7.652 1.00 0.50 C ATOM 850 O ALA A 57 -15.296 1.471 -7.627 1.00 0.63 O ATOM 851 CB ALA A 57 -12.416 2.865 -8.231 1.00 0.67 C ATOM 0 H ALA A 57 -11.021 1.444 -6.792 1.00 0.43 H new ATOM 0 HA ALA A 57 -13.489 2.712 -6.340 1.00 0.56 H new ATOM 0 HB1 ALA A 57 -13.197 3.434 -8.735 1.00 0.67 H new ATOM 0 HB2 ALA A 57 -11.666 3.550 -7.835 1.00 0.67 H new ATOM 0 HB3 ALA A 57 -11.947 2.185 -8.942 1.00 0.67 H new ATOM 857 N ASP A 58 -13.720 0.027 -8.173 1.00 0.31 N ATOM 858 CA ASP A 58 -14.705 -0.921 -8.764 1.00 0.25 C ATOM 859 C ASP A 58 -15.397 -1.723 -7.653 1.00 0.34 C ATOM 860 O ASP A 58 -16.494 -2.220 -7.812 1.00 0.43 O ATOM 861 CB ASP A 58 -13.987 -1.881 -9.716 1.00 0.13 C ATOM 862 CG ASP A 58 -15.023 -2.690 -10.498 1.00 0.28 C ATOM 863 OD1 ASP A 58 -16.159 -2.250 -10.569 1.00 1.04 O ATOM 864 OD2 ASP A 58 -14.665 -3.738 -11.009 1.00 1.11 O ATOM 0 H ASP A 58 -12.748 -0.279 -8.214 1.00 0.31 H new ATOM 0 HA ASP A 58 -15.456 -0.354 -9.315 1.00 0.25 H new ATOM 0 HB2 ASP A 58 -13.352 -1.322 -10.403 1.00 0.13 H new ATOM 0 HB3 ASP A 58 -13.336 -2.550 -9.153 1.00 0.13 H new ATOM 869 N GLY A 59 -14.775 -1.762 -6.497 1.00 0.39 N ATOM 870 CA GLY A 59 -15.423 -2.438 -5.316 1.00 0.59 C ATOM 871 C GLY A 59 -14.891 -3.855 -5.009 1.00 0.63 C ATOM 872 O GLY A 59 -15.641 -4.656 -4.487 1.00 0.80 O ATOM 0 H GLY A 59 -13.855 -1.360 -6.317 1.00 0.39 H new ATOM 0 HA2 GLY A 59 -15.281 -1.813 -4.434 1.00 0.59 H new ATOM 0 HA3 GLY A 59 -16.497 -2.499 -5.494 1.00 0.59 H new ATOM 876 N ASN A 60 -13.660 -4.221 -5.332 1.00 0.57 N ATOM 877 CA ASN A 60 -13.216 -5.644 -5.042 1.00 0.74 C ATOM 878 C ASN A 60 -12.385 -5.738 -3.749 1.00 0.74 C ATOM 879 O ASN A 60 -11.919 -6.799 -3.392 1.00 1.36 O ATOM 880 CB ASN A 60 -12.410 -6.196 -6.222 1.00 0.76 C ATOM 881 CG ASN A 60 -13.259 -6.129 -7.493 1.00 2.30 C ATOM 882 OD1 ASN A 60 -14.393 -6.563 -7.504 1.00 3.32 O ATOM 883 ND2 ASN A 60 -12.754 -5.598 -8.574 1.00 3.48 N ATOM 0 H ASN A 60 -12.962 -3.620 -5.770 1.00 0.57 H new ATOM 0 HA ASN A 60 -14.115 -6.244 -4.901 1.00 0.74 H new ATOM 0 HB2 ASN A 60 -11.494 -5.620 -6.352 1.00 0.76 H new ATOM 0 HB3 ASN A 60 -12.113 -7.226 -6.024 1.00 0.76 H new ATOM 0 HD21 ASN A 60 -13.312 -5.548 -9.426 1.00 3.48 H new ATOM 0 HD22 ASN A 60 -11.802 -5.233 -8.566 1.00 3.48 H new ATOM 890 N GLY A 61 -12.241 -4.668 -3.016 1.00 0.12 N ATOM 891 CA GLY A 61 -11.495 -4.718 -1.716 1.00 0.13 C ATOM 892 C GLY A 61 -10.134 -5.435 -1.813 1.00 0.17 C ATOM 893 O GLY A 61 -9.741 -6.116 -0.886 1.00 0.28 O ATOM 0 H GLY A 61 -12.611 -3.749 -3.261 1.00 0.12 H new ATOM 0 HA2 GLY A 61 -11.336 -3.701 -1.359 1.00 0.13 H new ATOM 0 HA3 GLY A 61 -12.111 -5.224 -0.973 1.00 0.13 H new ATOM 897 N THR A 62 -9.391 -5.287 -2.885 1.00 0.13 N ATOM 898 CA THR A 62 -8.046 -5.962 -2.965 1.00 0.15 C ATOM 899 C THR A 62 -7.033 -5.019 -3.628 1.00 0.13 C ATOM 900 O THR A 62 -7.380 -4.211 -4.467 1.00 0.13 O ATOM 901 CB THR A 62 -8.140 -7.259 -3.771 1.00 0.21 C ATOM 902 OG1 THR A 62 -8.718 -6.995 -5.041 1.00 0.26 O ATOM 903 CG2 THR A 62 -8.991 -8.283 -3.016 1.00 0.42 C ATOM 0 H THR A 62 -9.650 -4.735 -3.702 1.00 0.13 H new ATOM 0 HA THR A 62 -7.718 -6.202 -1.954 1.00 0.15 H new ATOM 0 HB THR A 62 -7.138 -7.664 -3.911 1.00 0.21 H new ATOM 0 HG1 THR A 62 -8.775 -7.828 -5.554 1.00 0.26 H new ATOM 0 HG21 THR A 62 -9.053 -9.203 -3.597 1.00 0.42 H new ATOM 0 HG22 THR A 62 -8.534 -8.494 -2.049 1.00 0.42 H new ATOM 0 HG23 THR A 62 -9.993 -7.882 -2.864 1.00 0.42 H new ATOM 911 N ILE A 63 -5.777 -5.111 -3.241 1.00 0.11 N ATOM 912 CA ILE A 63 -4.718 -4.216 -3.822 1.00 0.10 C ATOM 913 C ILE A 63 -3.570 -5.061 -4.370 1.00 0.10 C ATOM 914 O ILE A 63 -3.051 -5.933 -3.702 1.00 0.10 O ATOM 915 CB ILE A 63 -4.156 -3.309 -2.722 1.00 0.10 C ATOM 916 CG1 ILE A 63 -5.309 -2.601 -1.999 1.00 0.10 C ATOM 917 CG2 ILE A 63 -3.187 -2.275 -3.322 1.00 0.11 C ATOM 918 CD1 ILE A 63 -4.777 -1.881 -0.758 1.00 0.12 C ATOM 0 H ILE A 63 -5.439 -5.773 -2.542 1.00 0.11 H new ATOM 0 HA ILE A 63 -5.161 -3.620 -4.620 1.00 0.10 H new ATOM 0 HB ILE A 63 -3.606 -3.919 -2.005 1.00 0.10 H new ATOM 0 HG12 ILE A 63 -5.786 -1.886 -2.669 1.00 0.10 H new ATOM 0 HG13 ILE A 63 -6.070 -3.326 -1.712 1.00 0.10 H new ATOM 0 HG21 ILE A 63 -2.797 -1.639 -2.528 1.00 0.11 H new ATOM 0 HG22 ILE A 63 -2.362 -2.791 -3.812 1.00 0.11 H new ATOM 0 HG23 ILE A 63 -3.716 -1.662 -4.052 1.00 0.11 H new ATOM 0 HD11 ILE A 63 -5.599 -1.380 -0.248 1.00 0.12 H new ATOM 0 HD12 ILE A 63 -4.320 -2.606 -0.084 1.00 0.12 H new ATOM 0 HD13 ILE A 63 -4.032 -1.144 -1.057 1.00 0.12 H new ATOM 930 N ASP A 64 -3.148 -4.776 -5.577 1.00 0.09 N ATOM 931 CA ASP A 64 -2.004 -5.520 -6.183 1.00 0.09 C ATOM 932 C ASP A 64 -0.745 -4.655 -6.031 1.00 0.09 C ATOM 933 O ASP A 64 -0.824 -3.497 -5.673 1.00 0.11 O ATOM 934 CB ASP A 64 -2.292 -5.813 -7.662 1.00 0.11 C ATOM 935 CG ASP A 64 -2.467 -4.498 -8.426 1.00 0.16 C ATOM 936 OD1 ASP A 64 -2.175 -3.460 -7.857 1.00 0.11 O ATOM 937 OD2 ASP A 64 -2.890 -4.552 -9.568 1.00 0.37 O ATOM 0 H ASP A 64 -3.552 -4.053 -6.173 1.00 0.09 H new ATOM 0 HA ASP A 64 -1.857 -6.476 -5.680 1.00 0.09 H new ATOM 0 HB2 ASP A 64 -1.474 -6.389 -8.094 1.00 0.11 H new ATOM 0 HB3 ASP A 64 -3.193 -6.420 -7.753 1.00 0.11 H new ATOM 942 N PHE A 65 0.415 -5.215 -6.243 1.00 0.07 N ATOM 943 CA PHE A 65 1.670 -4.429 -6.045 1.00 0.07 C ATOM 944 C PHE A 65 1.717 -3.117 -6.867 1.00 0.10 C ATOM 945 O PHE A 65 2.013 -2.080 -6.308 1.00 0.12 O ATOM 946 CB PHE A 65 2.904 -5.301 -6.340 1.00 0.06 C ATOM 947 CG PHE A 65 4.168 -4.593 -5.877 1.00 0.05 C ATOM 948 CD1 PHE A 65 4.345 -4.257 -4.521 1.00 1.89 C ATOM 949 CD2 PHE A 65 5.171 -4.277 -6.804 1.00 1.80 C ATOM 950 CE1 PHE A 65 5.516 -3.611 -4.107 1.00 1.87 C ATOM 951 CE2 PHE A 65 6.340 -3.634 -6.384 1.00 1.81 C ATOM 952 CZ PHE A 65 6.513 -3.302 -5.038 1.00 0.04 C ATOM 0 H PHE A 65 0.550 -6.180 -6.544 1.00 0.07 H new ATOM 0 HA PHE A 65 1.680 -4.128 -4.997 1.00 0.07 H new ATOM 0 HB2 PHE A 65 2.810 -6.261 -5.833 1.00 0.06 H new ATOM 0 HB3 PHE A 65 2.965 -5.509 -7.408 1.00 0.06 H new ATOM 0 HD1 PHE A 65 3.577 -4.498 -3.800 1.00 1.89 H new ATOM 0 HD2 PHE A 65 5.041 -4.531 -7.846 1.00 1.80 H new ATOM 0 HE1 PHE A 65 5.650 -3.351 -3.067 1.00 1.87 H new ATOM 0 HE2 PHE A 65 7.110 -3.394 -7.102 1.00 1.81 H new ATOM 0 HZ PHE A 65 7.417 -2.806 -4.716 1.00 0.04 H new ATOM 962 N PRO A 66 1.460 -3.114 -8.162 1.00 0.13 N ATOM 963 CA PRO A 66 1.528 -1.842 -8.961 1.00 0.16 C ATOM 964 C PRO A 66 0.559 -0.773 -8.437 1.00 0.17 C ATOM 965 O PRO A 66 0.905 0.389 -8.354 1.00 0.22 O ATOM 966 CB PRO A 66 1.163 -2.279 -10.395 1.00 0.18 C ATOM 967 CG PRO A 66 0.455 -3.589 -10.236 1.00 0.16 C ATOM 968 CD PRO A 66 1.079 -4.260 -9.013 1.00 0.14 C ATOM 0 HA PRO A 66 2.511 -1.376 -8.900 1.00 0.16 H new ATOM 0 HB2 PRO A 66 0.524 -1.542 -10.881 1.00 0.18 H new ATOM 0 HB3 PRO A 66 2.054 -2.385 -11.014 1.00 0.18 H new ATOM 0 HG2 PRO A 66 -0.615 -3.439 -10.095 1.00 0.16 H new ATOM 0 HG3 PRO A 66 0.576 -4.208 -11.125 1.00 0.16 H new ATOM 0 HD2 PRO A 66 0.372 -4.919 -8.509 1.00 0.14 H new ATOM 0 HD3 PRO A 66 1.943 -4.867 -9.283 1.00 0.14 H new ATOM 976 N GLU A 67 -0.634 -1.144 -8.040 1.00 0.15 N ATOM 977 CA GLU A 67 -1.557 -0.114 -7.487 1.00 0.16 C ATOM 978 C GLU A 67 -0.941 0.384 -6.177 1.00 0.15 C ATOM 979 O GLU A 67 -1.013 1.554 -5.855 1.00 0.17 O ATOM 980 CB GLU A 67 -2.954 -0.696 -7.241 1.00 0.18 C ATOM 981 CG GLU A 67 -3.604 -1.041 -8.582 1.00 0.26 C ATOM 982 CD GLU A 67 -4.889 -1.834 -8.339 1.00 0.34 C ATOM 983 OE1 GLU A 67 -5.016 -2.405 -7.269 1.00 0.17 O ATOM 984 OE2 GLU A 67 -5.724 -1.858 -9.228 1.00 0.60 O ATOM 0 H GLU A 67 -1.000 -2.095 -8.075 1.00 0.15 H new ATOM 0 HA GLU A 67 -1.679 0.705 -8.195 1.00 0.16 H new ATOM 0 HB2 GLU A 67 -2.884 -1.588 -6.618 1.00 0.18 H new ATOM 0 HB3 GLU A 67 -3.569 0.023 -6.700 1.00 0.18 H new ATOM 0 HG2 GLU A 67 -3.827 -0.129 -9.135 1.00 0.26 H new ATOM 0 HG3 GLU A 67 -2.915 -1.624 -9.193 1.00 0.26 H new ATOM 991 N PHE A 68 -0.314 -0.484 -5.427 1.00 0.12 N ATOM 992 CA PHE A 68 0.327 -0.045 -4.158 1.00 0.13 C ATOM 993 C PHE A 68 1.493 0.894 -4.477 1.00 0.13 C ATOM 994 O PHE A 68 1.747 1.857 -3.782 1.00 0.16 O ATOM 995 CB PHE A 68 0.823 -1.277 -3.381 1.00 0.11 C ATOM 996 CG PHE A 68 1.473 -0.838 -2.097 1.00 0.10 C ATOM 997 CD1 PHE A 68 0.704 -0.694 -0.938 1.00 0.09 C ATOM 998 CD2 PHE A 68 2.846 -0.573 -2.067 1.00 0.11 C ATOM 999 CE1 PHE A 68 1.313 -0.280 0.255 1.00 0.09 C ATOM 1000 CE2 PHE A 68 3.453 -0.163 -0.876 1.00 0.11 C ATOM 1001 CZ PHE A 68 2.686 -0.016 0.284 1.00 0.10 C ATOM 0 H PHE A 68 -0.220 -1.477 -5.640 1.00 0.12 H new ATOM 0 HA PHE A 68 -0.396 0.489 -3.542 1.00 0.13 H new ATOM 0 HB2 PHE A 68 -0.012 -1.945 -3.168 1.00 0.11 H new ATOM 0 HB3 PHE A 68 1.534 -1.839 -3.986 1.00 0.11 H new ATOM 0 HD1 PHE A 68 -0.356 -0.901 -0.962 1.00 0.09 H new ATOM 0 HD2 PHE A 68 3.437 -0.685 -2.964 1.00 0.11 H new ATOM 0 HE1 PHE A 68 0.722 -0.165 1.152 1.00 0.09 H new ATOM 0 HE2 PHE A 68 4.513 0.040 -0.852 1.00 0.11 H new ATOM 0 HZ PHE A 68 3.155 0.302 1.204 1.00 0.10 H new ATOM 1011 N LEU A 69 2.213 0.599 -5.539 1.00 0.11 N ATOM 1012 CA LEU A 69 3.371 1.454 -5.917 1.00 0.12 C ATOM 1013 C LEU A 69 2.870 2.843 -6.348 1.00 0.15 C ATOM 1014 O LEU A 69 3.473 3.851 -6.037 1.00 0.17 O ATOM 1015 CB LEU A 69 4.174 0.807 -7.067 1.00 0.07 C ATOM 1016 CG LEU A 69 5.166 -0.249 -6.537 1.00 0.15 C ATOM 1017 CD1 LEU A 69 5.915 -0.883 -7.732 1.00 0.17 C ATOM 1018 CD2 LEU A 69 6.179 0.393 -5.559 1.00 0.24 C ATOM 0 H LEU A 69 2.043 -0.197 -6.154 1.00 0.11 H new ATOM 0 HA LEU A 69 4.026 1.555 -5.052 1.00 0.12 H new ATOM 0 HB2 LEU A 69 3.488 0.341 -7.774 1.00 0.07 H new ATOM 0 HB3 LEU A 69 4.718 1.579 -7.612 1.00 0.07 H new ATOM 0 HG LEU A 69 4.613 -1.018 -5.997 1.00 0.15 H new ATOM 0 HD11 LEU A 69 6.618 -1.631 -7.365 1.00 0.17 H new ATOM 0 HD12 LEU A 69 5.197 -1.357 -8.401 1.00 0.17 H new ATOM 0 HD13 LEU A 69 6.458 -0.108 -8.273 1.00 0.17 H new ATOM 0 HD21 LEU A 69 6.869 -0.369 -5.197 1.00 0.24 H new ATOM 0 HD22 LEU A 69 6.738 1.173 -6.075 1.00 0.24 H new ATOM 0 HD23 LEU A 69 5.644 0.828 -4.715 1.00 0.24 H new ATOM 1030 N THR A 70 1.775 2.904 -7.071 1.00 0.18 N ATOM 1031 CA THR A 70 1.255 4.227 -7.522 1.00 0.23 C ATOM 1032 C THR A 70 0.782 5.023 -6.301 1.00 0.26 C ATOM 1033 O THR A 70 0.990 6.217 -6.219 1.00 0.26 O ATOM 1034 CB THR A 70 0.099 4.035 -8.517 1.00 0.22 C ATOM 1035 OG1 THR A 70 0.603 3.453 -9.711 1.00 0.23 O ATOM 1036 CG2 THR A 70 -0.528 5.393 -8.837 1.00 0.22 C ATOM 0 H THR A 70 1.225 2.097 -7.365 1.00 0.18 H new ATOM 0 HA THR A 70 2.050 4.777 -8.026 1.00 0.23 H new ATOM 0 HB THR A 70 -0.656 3.381 -8.081 1.00 0.22 H new ATOM 0 HG1 THR A 70 -0.131 3.327 -10.348 1.00 0.23 H new ATOM 0 HG21 THR A 70 -1.348 5.258 -9.543 1.00 0.22 H new ATOM 0 HG22 THR A 70 -0.909 5.843 -7.920 1.00 0.22 H new ATOM 0 HG23 THR A 70 0.225 6.047 -9.277 1.00 0.22 H new ATOM 1044 N MET A 71 0.167 4.381 -5.337 1.00 0.37 N ATOM 1045 CA MET A 71 -0.285 5.122 -4.121 1.00 0.42 C ATOM 1046 C MET A 71 0.958 5.634 -3.391 1.00 0.36 C ATOM 1047 O MET A 71 0.982 6.736 -2.879 1.00 0.30 O ATOM 1048 CB MET A 71 -1.091 4.200 -3.184 1.00 0.58 C ATOM 1049 CG MET A 71 -2.491 3.889 -3.779 1.00 0.43 C ATOM 1050 SD MET A 71 -3.778 4.241 -2.548 1.00 0.51 S ATOM 1051 CE MET A 71 -3.294 2.987 -1.335 1.00 0.41 C ATOM 0 H MET A 71 -0.040 3.382 -5.340 1.00 0.37 H new ATOM 0 HA MET A 71 -0.930 5.949 -4.416 1.00 0.42 H new ATOM 0 HB2 MET A 71 -0.545 3.270 -3.025 1.00 0.58 H new ATOM 0 HB3 MET A 71 -1.203 4.675 -2.209 1.00 0.58 H new ATOM 0 HG2 MET A 71 -2.657 4.489 -4.673 1.00 0.43 H new ATOM 0 HG3 MET A 71 -2.542 2.843 -4.083 1.00 0.43 H new ATOM 0 HE1 MET A 71 -4.172 2.663 -0.777 1.00 0.41 H new ATOM 0 HE2 MET A 71 -2.856 2.132 -1.850 1.00 0.41 H new ATOM 0 HE3 MET A 71 -2.562 3.410 -0.647 1.00 0.41 H new ATOM 1061 N MET A 72 1.993 4.835 -3.342 1.00 0.39 N ATOM 1062 CA MET A 72 3.243 5.260 -2.650 1.00 0.37 C ATOM 1063 C MET A 72 3.839 6.479 -3.357 1.00 0.30 C ATOM 1064 O MET A 72 4.237 7.448 -2.740 1.00 0.29 O ATOM 1065 CB MET A 72 4.254 4.115 -2.679 1.00 0.44 C ATOM 1066 CG MET A 72 3.807 3.019 -1.712 1.00 0.52 C ATOM 1067 SD MET A 72 4.053 3.580 -0.008 1.00 2.02 S ATOM 1068 CE MET A 72 5.780 3.066 0.157 1.00 0.71 C ATOM 0 H MET A 72 2.024 3.902 -3.754 1.00 0.39 H new ATOM 0 HA MET A 72 3.011 5.520 -1.617 1.00 0.37 H new ATOM 0 HB2 MET A 72 4.336 3.713 -3.689 1.00 0.44 H new ATOM 0 HB3 MET A 72 5.242 4.481 -2.400 1.00 0.44 H new ATOM 0 HG2 MET A 72 2.757 2.778 -1.879 1.00 0.52 H new ATOM 0 HG3 MET A 72 4.376 2.107 -1.891 1.00 0.52 H new ATOM 0 HE1 MET A 72 6.216 3.532 1.041 1.00 0.71 H new ATOM 0 HE2 MET A 72 5.829 1.982 0.258 1.00 0.71 H new ATOM 0 HE3 MET A 72 6.337 3.374 -0.728 1.00 0.71 H new ATOM 1078 N ALA A 73 3.920 6.409 -4.656 1.00 0.27 N ATOM 1079 CA ALA A 73 4.509 7.528 -5.443 1.00 0.24 C ATOM 1080 C ALA A 73 3.702 8.820 -5.240 1.00 0.26 C ATOM 1081 O ALA A 73 4.255 9.899 -5.162 1.00 0.24 O ATOM 1082 CB ALA A 73 4.536 7.151 -6.933 1.00 0.24 C ATOM 0 H ALA A 73 3.600 5.616 -5.212 1.00 0.27 H new ATOM 0 HA ALA A 73 5.527 7.704 -5.095 1.00 0.24 H new ATOM 0 HB1 ALA A 73 4.967 7.971 -7.508 1.00 0.24 H new ATOM 0 HB2 ALA A 73 5.140 6.254 -7.070 1.00 0.24 H new ATOM 0 HB3 ALA A 73 3.520 6.961 -7.279 1.00 0.24 H new ATOM 1088 N ARG A 74 2.399 8.723 -5.159 1.00 0.33 N ATOM 1089 CA ARG A 74 1.566 9.948 -4.968 1.00 0.37 C ATOM 1090 C ARG A 74 1.800 10.515 -3.560 1.00 0.34 C ATOM 1091 O ARG A 74 1.775 11.710 -3.341 1.00 0.32 O ATOM 1092 CB ARG A 74 0.076 9.597 -5.156 1.00 0.47 C ATOM 1093 CG ARG A 74 -0.319 9.698 -6.646 1.00 0.18 C ATOM 1094 CD ARG A 74 -0.701 11.142 -7.001 1.00 0.14 C ATOM 1095 NE ARG A 74 -1.772 11.644 -6.074 1.00 1.36 N ATOM 1096 CZ ARG A 74 -2.924 11.037 -5.953 1.00 1.63 C ATOM 1097 NH1 ARG A 74 -3.258 10.069 -6.761 1.00 2.86 N ATOM 1098 NH2 ARG A 74 -3.772 11.438 -5.045 1.00 1.33 N ATOM 0 H ARG A 74 1.877 7.849 -5.217 1.00 0.33 H new ATOM 0 HA ARG A 74 1.849 10.699 -5.706 1.00 0.37 H new ATOM 0 HB2 ARG A 74 -0.115 8.588 -4.790 1.00 0.47 H new ATOM 0 HB3 ARG A 74 -0.541 10.273 -4.563 1.00 0.47 H new ATOM 0 HG2 ARG A 74 0.511 9.370 -7.272 1.00 0.18 H new ATOM 0 HG3 ARG A 74 -1.157 9.032 -6.853 1.00 0.18 H new ATOM 0 HD2 ARG A 74 0.177 11.784 -6.934 1.00 0.14 H new ATOM 0 HD3 ARG A 74 -1.052 11.189 -8.032 1.00 0.14 H new ATOM 0 HE ARG A 74 -1.595 12.484 -5.522 1.00 1.36 H new ATOM 0 HH11 ARG A 74 -2.617 9.777 -7.499 1.00 2.86 H new ATOM 0 HH12 ARG A 74 -4.160 9.604 -6.655 1.00 2.86 H new ATOM 0 HH21 ARG A 74 -3.534 12.220 -4.435 1.00 1.33 H new ATOM 0 HH22 ARG A 74 -4.672 10.969 -4.945 1.00 1.33 H new ATOM 1112 N LYS A 75 2.001 9.646 -2.605 1.00 0.35 N ATOM 1113 CA LYS A 75 2.210 10.099 -1.200 1.00 0.35 C ATOM 1114 C LYS A 75 3.619 10.686 -1.034 1.00 0.28 C ATOM 1115 O LYS A 75 3.842 11.547 -0.206 1.00 0.27 O ATOM 1116 CB LYS A 75 2.024 8.896 -0.253 1.00 0.39 C ATOM 1117 CG LYS A 75 0.580 8.848 0.284 1.00 0.47 C ATOM 1118 CD LYS A 75 0.444 9.771 1.501 1.00 1.35 C ATOM 1119 CE LYS A 75 -0.968 9.653 2.077 1.00 1.96 C ATOM 1120 NZ LYS A 75 -1.132 8.318 2.718 1.00 2.75 N ATOM 0 H LYS A 75 2.029 8.635 -2.740 1.00 0.35 H new ATOM 0 HA LYS A 75 1.484 10.875 -0.957 1.00 0.35 H new ATOM 0 HB2 LYS A 75 2.252 7.971 -0.782 1.00 0.39 H new ATOM 0 HB3 LYS A 75 2.725 8.969 0.579 1.00 0.39 H new ATOM 0 HG2 LYS A 75 -0.117 9.155 -0.496 1.00 0.47 H new ATOM 0 HG3 LYS A 75 0.320 7.826 0.561 1.00 0.47 H new ATOM 0 HD2 LYS A 75 1.181 9.502 2.258 1.00 1.35 H new ATOM 0 HD3 LYS A 75 0.645 10.803 1.212 1.00 1.35 H new ATOM 0 HE2 LYS A 75 -1.142 10.443 2.808 1.00 1.96 H new ATOM 0 HE3 LYS A 75 -1.707 9.782 1.286 1.00 1.96 H new ATOM 0 HZ1 LYS A 75 -2.119 8.006 2.622 1.00 2.75 H new ATOM 0 HZ2 LYS A 75 -0.505 7.631 2.254 1.00 2.75 H new ATOM 0 HZ3 LYS A 75 -0.886 8.385 3.726 1.00 2.75 H new ATOM 1134 N MET A 76 4.565 10.247 -1.806 1.00 0.29 N ATOM 1135 CA MET A 76 5.942 10.808 -1.676 1.00 0.29 C ATOM 1136 C MET A 76 5.961 12.250 -2.186 1.00 0.70 C ATOM 1137 O MET A 76 4.926 12.892 -2.129 1.00 1.39 O ATOM 1138 CB MET A 76 6.915 9.963 -2.502 1.00 0.91 C ATOM 1139 CG MET A 76 7.068 8.578 -1.866 1.00 1.10 C ATOM 1140 SD MET A 76 8.218 8.678 -0.473 1.00 1.88 S ATOM 1141 CE MET A 76 9.733 8.354 -1.408 1.00 1.00 C ATOM 0 H MET A 76 4.451 9.528 -2.520 1.00 0.29 H new ATOM 0 HA MET A 76 6.242 10.792 -0.628 1.00 0.29 H new ATOM 0 HB2 MET A 76 6.549 9.866 -3.524 1.00 0.91 H new ATOM 0 HB3 MET A 76 7.885 10.458 -2.556 1.00 0.91 H new ATOM 0 HG2 MET A 76 6.099 8.213 -1.526 1.00 1.10 H new ATOM 0 HG3 MET A 76 7.436 7.865 -2.604 1.00 1.10 H new ATOM 0 HE1 MET A 76 10.588 8.369 -0.732 1.00 1.00 H new ATOM 0 HE2 MET A 76 9.664 7.376 -1.884 1.00 1.00 H new ATOM 0 HE3 MET A 76 9.860 9.121 -2.172 1.00 1.00 H new TER 1151 MET A 76