USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 408 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 6 HIS : no HD1:sc= 0.818 K(o=1.6,f=-1.9!) USER MOD Set 1.2: A 40 THR OG1 : rot 63:sc= 0.781 USER MOD Set 2.1: A 12 CYS SG : rot 180:sc= -0.512 USER MOD Set 2.2: A 14 HIS : no HD1:sc= 0 X(o=-0.19,f=-0.19) USER MOD Set 2.3: A 15 CYS SG : rot 83:sc= 0.285 USER MOD Set 2.4: A 61 TYR OH : rot -40:sc= 0.0407 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -142:sc= 0 (180deg=-0.793) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -75:sc= -0.665 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 103:sc= 0.0701 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.4) USER MOD Single : A 57 THR OG1 : rot -6:sc= 0.715 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 3 3.463 -9.623 -1.895 1.00 0.00 N ATOM 19 CA LEU A 3 2.819 -9.381 -0.608 1.00 0.00 C ATOM 20 C LEU A 3 1.392 -8.876 -0.801 1.00 0.00 C ATOM 21 O LEU A 3 1.106 -8.136 -1.741 1.00 0.00 O ATOM 22 CB LEU A 3 3.636 -8.378 0.217 1.00 0.00 C ATOM 23 CG LEU A 3 5.078 -8.805 0.520 1.00 0.00 C ATOM 24 CD1 LEU A 3 5.817 -7.677 1.228 1.00 0.00 C ATOM 25 CD2 LEU A 3 5.067 -10.063 1.375 1.00 0.00 C ATOM 0 HA LEU A 3 2.774 -10.325 -0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.660 -7.427 -0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.120 -8.202 1.161 1.00 0.00 H new ATOM 0 HG LEU A 3 5.598 -9.021 -0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.840 -7.989 1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.831 -6.794 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.309 -7.440 2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.092 -10.366 1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.544 -9.863 2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.557 -10.863 0.838 1.00 0.00 H new ATOM 37 N SER A 4 0.500 -9.280 0.099 1.00 0.00 N ATOM 38 CA SER A 4 -0.881 -8.814 0.068 1.00 0.00 C ATOM 39 C SER A 4 -1.281 -8.214 1.413 1.00 0.00 C ATOM 40 O SER A 4 -1.092 -8.830 2.462 1.00 0.00 O ATOM 41 CB SER A 4 -1.810 -9.953 -0.302 1.00 0.00 C ATOM 42 OG SER A 4 -3.154 -9.554 -0.314 1.00 0.00 O ATOM 0 H SER A 4 0.710 -9.929 0.858 1.00 0.00 H new ATOM 0 HA SER A 4 -0.964 -8.034 -0.689 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.538 -10.338 -1.285 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.681 -10.770 0.407 1.00 0.00 H new ATOM 0 HG SER A 4 -3.719 -10.316 -0.559 1.00 0.00 H new ATOM 48 N PHE A 5 -1.836 -7.007 1.374 1.00 0.00 N ATOM 49 CA PHE A 5 -2.223 -6.305 2.591 1.00 0.00 C ATOM 50 C PHE A 5 -3.590 -5.645 2.427 1.00 0.00 C ATOM 51 O PHE A 5 -3.806 -4.862 1.502 1.00 0.00 O ATOM 52 CB PHE A 5 -1.172 -5.258 2.964 1.00 0.00 C ATOM 53 CG PHE A 5 -1.400 -4.620 4.305 1.00 0.00 C ATOM 54 CD1 PHE A 5 -1.219 -5.344 5.474 1.00 0.00 C ATOM 55 CD2 PHE A 5 -1.796 -3.295 4.401 1.00 0.00 C ATOM 56 CE1 PHE A 5 -1.430 -4.759 6.707 1.00 0.00 C ATOM 57 CE2 PHE A 5 -2.006 -2.706 5.632 1.00 0.00 C ATOM 58 CZ PHE A 5 -1.822 -3.440 6.787 1.00 0.00 C ATOM 0 H PHE A 5 -2.028 -6.495 0.513 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.289 -7.037 3.396 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.188 -5.727 2.958 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.160 -4.481 2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.909 -6.377 5.419 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.942 -2.716 3.501 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.288 -5.335 7.609 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.314 -1.672 5.691 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.985 -2.981 7.751 1.00 0.00 H new ATOM 68 N HIS A 6 -4.509 -5.968 3.331 1.00 0.00 N ATOM 69 CA HIS A 6 -5.876 -5.464 3.246 1.00 0.00 C ATOM 70 C HIS A 6 -6.055 -4.230 4.125 1.00 0.00 C ATOM 71 O HIS A 6 -5.691 -4.235 5.301 1.00 0.00 O ATOM 72 CB HIS A 6 -6.880 -6.549 3.649 1.00 0.00 C ATOM 73 CG HIS A 6 -8.299 -6.074 3.679 1.00 0.00 C ATOM 74 ND1 HIS A 6 -9.057 -5.923 2.537 1.00 0.00 N ATOM 75 CD2 HIS A 6 -9.098 -5.714 4.711 1.00 0.00 C ATOM 76 CE1 HIS A 6 -10.262 -5.492 2.866 1.00 0.00 C ATOM 77 NE2 HIS A 6 -10.312 -5.357 4.178 1.00 0.00 N ATOM 0 H HIS A 6 -4.333 -6.576 4.131 1.00 0.00 H new ATOM 0 HA HIS A 6 -6.065 -5.182 2.210 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.800 -7.383 2.952 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.613 -6.931 4.634 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.831 -5.709 5.757 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.069 -5.285 2.178 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.122 -5.039 4.710 1.00 0.00 H new ATOM 84 N VAL A 7 -6.617 -3.174 3.546 1.00 0.00 N ATOM 85 CA VAL A 7 -6.792 -1.914 4.258 1.00 0.00 C ATOM 86 C VAL A 7 -8.256 -1.491 4.276 1.00 0.00 C ATOM 87 O VAL A 7 -8.874 -1.314 3.226 1.00 0.00 O ATOM 88 CB VAL A 7 -5.949 -0.788 3.631 1.00 0.00 C ATOM 89 CG1 VAL A 7 -6.174 0.522 4.371 1.00 0.00 C ATOM 90 CG2 VAL A 7 -4.474 -1.157 3.642 1.00 0.00 C ATOM 0 H VAL A 7 -6.959 -3.166 2.585 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.453 -2.081 5.280 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.265 -0.658 2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.570 1.306 3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.228 0.796 4.314 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.885 0.404 5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.894 -0.350 3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.146 -1.314 4.670 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.324 -2.072 3.069 1.00 0.00 H new ATOM 100 N GLU A 8 -8.806 -1.329 5.476 1.00 0.00 N ATOM 101 CA GLU A 8 -10.217 -0.993 5.630 1.00 0.00 C ATOM 102 C GLU A 8 -10.504 0.409 5.101 1.00 0.00 C ATOM 103 O GLU A 8 -11.573 0.667 4.546 1.00 0.00 O ATOM 104 CB GLU A 8 -10.636 -1.101 7.099 1.00 0.00 C ATOM 105 CG GLU A 8 -10.760 -2.526 7.614 1.00 0.00 C ATOM 106 CD GLU A 8 -11.905 -3.247 6.958 1.00 0.00 C ATOM 107 OE1 GLU A 8 -12.992 -2.723 6.960 1.00 0.00 O ATOM 108 OE2 GLU A 8 -11.670 -4.269 6.356 1.00 0.00 O ATOM 0 H GLU A 8 -8.297 -1.425 6.354 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.800 -1.705 5.046 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.909 -0.568 7.712 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.593 -0.596 7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.832 -3.065 7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.907 -2.513 8.694 1.00 0.00 H new ATOM 115 N ASP A 9 -9.543 1.309 5.276 1.00 0.00 N ATOM 116 CA ASP A 9 -9.781 2.732 5.067 1.00 0.00 C ATOM 117 C ASP A 9 -9.856 3.058 3.578 1.00 0.00 C ATOM 118 O ASP A 9 -10.288 4.142 3.190 1.00 0.00 O ATOM 119 CB ASP A 9 -8.685 3.565 5.737 1.00 0.00 C ATOM 120 CG ASP A 9 -8.775 3.618 7.256 1.00 0.00 C ATOM 121 OD1 ASP A 9 -9.794 3.240 7.785 1.00 0.00 O ATOM 122 OD2 ASP A 9 -7.777 3.884 7.880 1.00 0.00 O ATOM 0 H ASP A 9 -8.592 1.078 5.562 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.739 2.984 5.522 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.714 3.158 5.457 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.729 4.582 5.347 1.00 0.00 H new ATOM 127 N MET A 10 -9.430 2.110 2.749 1.00 0.00 N ATOM 128 CA MET A 10 -9.421 2.307 1.303 1.00 0.00 C ATOM 129 C MET A 10 -10.842 2.459 0.768 1.00 0.00 C ATOM 130 O MET A 10 -11.728 1.672 1.099 1.00 0.00 O ATOM 131 CB MET A 10 -8.714 1.142 0.614 1.00 0.00 C ATOM 132 CG MET A 10 -7.202 1.135 0.781 1.00 0.00 C ATOM 133 SD MET A 10 -6.423 -0.295 0.005 1.00 0.00 S ATOM 134 CE MET A 10 -6.360 0.239 -1.703 1.00 0.00 C ATOM 0 H MET A 10 -9.087 1.199 3.053 1.00 0.00 H new ATOM 0 HA MET A 10 -8.875 3.225 1.086 1.00 0.00 H new ATOM 0 HB2 MET A 10 -9.115 0.207 1.006 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.949 1.168 -0.450 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.789 2.047 0.350 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.958 1.145 1.843 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.566 -0.608 -2.357 1.00 0.00 H new ATOM 0 HE2 MET A 10 -7.106 1.016 -1.869 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.369 0.635 -1.924 1.00 0.00 H new ATOM 144 N THR A 11 -11.051 3.477 -0.063 1.00 0.00 N ATOM 145 CA THR A 11 -12.370 3.754 -0.614 1.00 0.00 C ATOM 146 C THR A 11 -12.332 3.804 -2.137 1.00 0.00 C ATOM 147 O THR A 11 -13.033 3.046 -2.810 1.00 0.00 O ATOM 148 CB THR A 11 -12.937 5.082 -0.081 1.00 0.00 C ATOM 149 OG1 THR A 11 -12.970 5.050 1.352 1.00 0.00 O ATOM 150 CG2 THR A 11 -14.345 5.313 -0.611 1.00 0.00 C ATOM 0 H THR A 11 -10.322 4.122 -0.368 1.00 0.00 H new ATOM 0 HA THR A 11 -13.020 2.939 -0.297 1.00 0.00 H new ATOM 0 HB THR A 11 -12.294 5.895 -0.419 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.330 5.897 1.690 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.729 6.257 -0.224 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.322 5.350 -1.700 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.993 4.498 -0.289 1.00 0.00 H new ATOM 158 N CYS A 12 -11.510 4.697 -2.675 1.00 0.00 N ATOM 159 CA CYS A 12 -11.415 4.877 -4.118 1.00 0.00 C ATOM 160 C CYS A 12 -9.963 5.063 -4.549 1.00 0.00 C ATOM 161 O CYS A 12 -9.051 5.027 -3.724 1.00 0.00 O ATOM 162 CB CYS A 12 -12.217 6.158 -4.353 1.00 0.00 C ATOM 163 SG CYS A 12 -11.537 7.626 -3.543 1.00 0.00 S ATOM 0 H CYS A 12 -10.899 5.308 -2.133 1.00 0.00 H new ATOM 0 HA CYS A 12 -11.785 4.022 -4.684 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -12.275 6.344 -5.425 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -13.237 6.003 -4.001 1.00 0.00 H new ATOM 0 HG CYS A 12 -12.288 8.654 -3.806 1.00 0.00 H new ATOM 169 N GLY A 13 -9.757 5.261 -5.848 1.00 0.00 N ATOM 170 CA GLY A 13 -8.410 5.346 -6.381 1.00 0.00 C ATOM 171 C GLY A 13 -7.632 6.514 -5.806 1.00 0.00 C ATOM 172 O GLY A 13 -6.404 6.541 -5.869 1.00 0.00 O ATOM 0 H GLY A 13 -10.499 5.364 -6.540 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.879 4.419 -6.167 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.457 5.443 -7.466 1.00 0.00 H new ATOM 176 N HIS A 14 -8.350 7.482 -5.245 1.00 0.00 N ATOM 177 CA HIS A 14 -7.718 8.650 -4.640 1.00 0.00 C ATOM 178 C HIS A 14 -7.106 8.295 -3.287 1.00 0.00 C ATOM 179 O HIS A 14 -6.218 8.993 -2.796 1.00 0.00 O ATOM 180 CB HIS A 14 -8.726 9.791 -4.479 1.00 0.00 C ATOM 181 CG HIS A 14 -9.231 10.336 -5.780 1.00 0.00 C ATOM 182 ND1 HIS A 14 -8.449 11.105 -6.616 1.00 0.00 N ATOM 183 CD2 HIS A 14 -10.435 10.223 -6.387 1.00 0.00 C ATOM 184 CE1 HIS A 14 -9.153 11.441 -7.684 1.00 0.00 C ATOM 185 NE2 HIS A 14 -10.360 10.919 -7.568 1.00 0.00 N ATOM 0 H HIS A 14 -9.369 7.481 -5.197 1.00 0.00 H new ATOM 0 HA HIS A 14 -6.921 8.982 -5.305 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.572 9.436 -3.891 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.261 10.598 -3.913 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -11.294 9.686 -6.013 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.800 12.040 -8.510 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -11.115 11.017 -8.247 1.00 0.00 H new ATOM 192 N CYS A 15 -7.587 7.210 -2.692 1.00 0.00 N ATOM 193 CA CYS A 15 -7.011 6.699 -1.453 1.00 0.00 C ATOM 194 C CYS A 15 -5.922 5.671 -1.744 1.00 0.00 C ATOM 195 O CYS A 15 -4.890 5.638 -1.074 1.00 0.00 O ATOM 196 CB CYS A 15 -8.208 6.039 -0.769 1.00 0.00 C ATOM 197 SG CYS A 15 -9.529 7.183 -0.304 1.00 0.00 S ATOM 0 H CYS A 15 -8.374 6.667 -3.047 1.00 0.00 H new ATOM 0 HA CYS A 15 -6.537 7.471 -0.847 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.619 5.281 -1.436 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -7.860 5.522 0.126 1.00 0.00 H new ATOM 0 HG CYS A 15 -10.298 7.398 -1.330 1.00 0.00 H new ATOM 203 N ALA A 16 -6.161 4.832 -2.746 1.00 0.00 N ATOM 204 CA ALA A 16 -5.180 3.835 -3.157 1.00 0.00 C ATOM 205 C ALA A 16 -3.908 4.495 -3.676 1.00 0.00 C ATOM 206 O ALA A 16 -2.803 4.008 -3.443 1.00 0.00 O ATOM 207 CB ALA A 16 -5.772 2.918 -4.218 1.00 0.00 C ATOM 0 H ALA A 16 -7.025 4.823 -3.288 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.917 3.240 -2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.029 2.179 -4.516 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.647 2.410 -3.813 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.065 3.508 -5.086 1.00 0.00 H new ATOM 213 N GLY A 17 -4.072 5.608 -4.383 1.00 0.00 N ATOM 214 CA GLY A 17 -2.928 6.314 -4.932 1.00 0.00 C ATOM 215 C GLY A 17 -1.992 6.825 -3.856 1.00 0.00 C ATOM 216 O GLY A 17 -0.773 6.811 -4.025 1.00 0.00 O ATOM 0 H GLY A 17 -4.976 6.034 -4.586 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.380 5.649 -5.600 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.277 7.153 -5.534 1.00 0.00 H new ATOM 220 N VAL A 18 -2.561 7.281 -2.745 1.00 0.00 N ATOM 221 CA VAL A 18 -1.769 7.796 -1.636 1.00 0.00 C ATOM 222 C VAL A 18 -0.900 6.701 -1.024 1.00 0.00 C ATOM 223 O VAL A 18 0.264 6.930 -0.694 1.00 0.00 O ATOM 224 CB VAL A 18 -2.663 8.402 -0.537 1.00 0.00 C ATOM 225 CG1 VAL A 18 -1.832 8.774 0.682 1.00 0.00 C ATOM 226 CG2 VAL A 18 -3.404 9.622 -1.066 1.00 0.00 C ATOM 0 H VAL A 18 -3.569 7.304 -2.589 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.129 8.579 -2.044 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.397 7.653 -0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.480 9.200 1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.344 7.882 1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.076 9.506 0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.031 10.037 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.684 10.373 -1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.029 9.330 -1.910 1.00 0.00 H new ATOM 236 N ILE A 19 -1.475 5.513 -0.877 1.00 0.00 N ATOM 237 CA ILE A 19 -0.731 4.361 -0.381 1.00 0.00 C ATOM 238 C ILE A 19 0.421 4.009 -1.316 1.00 0.00 C ATOM 239 O ILE A 19 1.541 3.753 -0.871 1.00 0.00 O ATOM 240 CB ILE A 19 -1.640 3.130 -0.214 1.00 0.00 C ATOM 241 CG1 ILE A 19 -2.639 3.356 0.924 1.00 0.00 C ATOM 242 CG2 ILE A 19 -0.806 1.885 0.045 1.00 0.00 C ATOM 243 CD1 ILE A 19 -3.739 2.321 0.984 1.00 0.00 C ATOM 0 H ILE A 19 -2.453 5.322 -1.094 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.332 4.639 0.595 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.198 2.982 -1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.101 3.357 1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.087 4.343 0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.464 1.024 0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.133 1.717 -0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.223 2.021 0.956 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.407 2.548 1.815 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.303 2.335 0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.302 1.333 1.129 1.00 0.00 H new ATOM 255 N LYS A 20 0.140 3.997 -2.614 1.00 0.00 N ATOM 256 CA LYS A 20 1.166 3.733 -3.618 1.00 0.00 C ATOM 257 C LYS A 20 2.279 4.773 -3.543 1.00 0.00 C ATOM 258 O LYS A 20 3.458 4.445 -3.672 1.00 0.00 O ATOM 259 CB LYS A 20 0.553 3.715 -5.019 1.00 0.00 C ATOM 260 CG LYS A 20 1.556 3.487 -6.140 1.00 0.00 C ATOM 261 CD LYS A 20 0.857 3.303 -7.479 1.00 0.00 C ATOM 262 CE LYS A 20 1.859 3.068 -8.601 1.00 0.00 C ATOM 263 NZ LYS A 20 1.191 2.921 -9.922 1.00 0.00 N ATOM 0 H LYS A 20 -0.790 4.167 -2.997 1.00 0.00 H new ATOM 0 HA LYS A 20 1.597 2.753 -3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.205 2.933 -5.061 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.043 4.663 -5.191 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.239 4.334 -6.197 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.159 2.606 -5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.170 2.459 -7.420 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.258 4.186 -7.703 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.561 3.901 -8.640 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.440 2.171 -8.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.908 2.763 -10.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.540 2.111 -9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.657 3.787 -10.139 1.00 0.00 H new ATOM 277 N GLY A 21 1.898 6.030 -3.331 1.00 0.00 N ATOM 278 CA GLY A 21 2.878 7.092 -3.213 1.00 0.00 C ATOM 279 C GLY A 21 3.791 6.908 -2.016 1.00 0.00 C ATOM 280 O GLY A 21 4.995 7.144 -2.104 1.00 0.00 O ATOM 0 H GLY A 21 0.928 6.330 -3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.479 7.131 -4.122 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.364 8.049 -3.130 1.00 0.00 H new ATOM 284 N ALA A 22 3.216 6.488 -0.894 1.00 0.00 N ATOM 285 CA ALA A 22 3.992 6.238 0.314 1.00 0.00 C ATOM 286 C ALA A 22 4.982 5.098 0.104 1.00 0.00 C ATOM 287 O ALA A 22 6.128 5.171 0.549 1.00 0.00 O ATOM 288 CB ALA A 22 3.066 5.928 1.480 1.00 0.00 C ATOM 0 H ALA A 22 2.216 6.314 -0.797 1.00 0.00 H new ATOM 0 HA ALA A 22 4.560 7.139 0.545 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.659 5.743 2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.402 6.775 1.652 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.473 5.043 1.248 1.00 0.00 H new ATOM 294 N ILE A 23 4.534 4.047 -0.573 1.00 0.00 N ATOM 295 CA ILE A 23 5.380 2.890 -0.837 1.00 0.00 C ATOM 296 C ILE A 23 6.555 3.261 -1.734 1.00 0.00 C ATOM 297 O ILE A 23 7.703 2.931 -1.438 1.00 0.00 O ATOM 298 CB ILE A 23 4.585 1.746 -1.493 1.00 0.00 C ATOM 299 CG1 ILE A 23 3.579 1.157 -0.501 1.00 0.00 C ATOM 300 CG2 ILE A 23 5.527 0.668 -2.004 1.00 0.00 C ATOM 301 CD1 ILE A 23 2.572 0.223 -1.133 1.00 0.00 C ATOM 0 H ILE A 23 3.589 3.973 -0.949 1.00 0.00 H new ATOM 0 HA ILE A 23 5.757 2.549 0.127 1.00 0.00 H new ATOM 0 HB ILE A 23 4.034 2.150 -2.342 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.122 0.619 0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.047 1.972 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.948 -0.133 -2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.204 1.097 -2.742 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.105 0.266 -1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.894 -0.153 -0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.001 0.761 -1.890 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.094 -0.613 -1.598 1.00 0.00 H new ATOM 313 N GLU A 24 6.259 3.952 -2.831 1.00 0.00 N ATOM 314 CA GLU A 24 7.289 4.348 -3.784 1.00 0.00 C ATOM 315 C GLU A 24 8.238 5.373 -3.167 1.00 0.00 C ATOM 316 O GLU A 24 9.441 5.352 -3.422 1.00 0.00 O ATOM 317 CB GLU A 24 6.655 4.916 -5.057 1.00 0.00 C ATOM 318 CG GLU A 24 7.653 5.301 -6.139 1.00 0.00 C ATOM 319 CD GLU A 24 8.388 4.097 -6.659 1.00 0.00 C ATOM 320 OE1 GLU A 24 7.954 3.001 -6.397 1.00 0.00 O ATOM 321 OE2 GLU A 24 9.317 4.273 -7.412 1.00 0.00 O ATOM 0 H GLU A 24 5.316 4.249 -3.081 1.00 0.00 H new ATOM 0 HA GLU A 24 7.864 3.460 -4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.963 4.178 -5.464 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.066 5.795 -4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.131 5.793 -6.960 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.367 6.020 -5.738 1.00 0.00 H new ATOM 328 N LYS A 25 7.685 6.267 -2.354 1.00 0.00 N ATOM 329 CA LYS A 25 8.471 7.327 -1.735 1.00 0.00 C ATOM 330 C LYS A 25 9.555 6.745 -0.834 1.00 0.00 C ATOM 331 O LYS A 25 10.697 7.208 -0.839 1.00 0.00 O ATOM 332 CB LYS A 25 7.570 8.269 -0.937 1.00 0.00 C ATOM 333 CG LYS A 25 8.302 9.425 -0.267 1.00 0.00 C ATOM 334 CD LYS A 25 7.331 10.366 0.432 1.00 0.00 C ATOM 335 CE LYS A 25 8.065 11.501 1.128 1.00 0.00 C ATOM 336 NZ LYS A 25 7.128 12.418 1.834 1.00 0.00 N ATOM 0 H LYS A 25 6.695 6.278 -2.109 1.00 0.00 H new ATOM 0 HA LYS A 25 8.954 7.896 -2.530 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.809 8.675 -1.603 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.050 7.693 -0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.017 9.034 0.457 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.873 9.977 -1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.631 10.776 -0.296 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.743 9.809 1.162 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.777 11.088 1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.641 12.065 0.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.668 13.178 2.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.465 12.832 1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.596 11.886 2.552 1.00 0.00 H new ATOM 350 N THR A 26 9.191 5.729 -0.058 1.00 0.00 N ATOM 351 CA THR A 26 10.117 5.121 0.888 1.00 0.00 C ATOM 352 C THR A 26 10.869 3.958 0.253 1.00 0.00 C ATOM 353 O THR A 26 11.950 3.582 0.706 1.00 0.00 O ATOM 354 CB THR A 26 9.387 4.620 2.149 1.00 0.00 C ATOM 355 OG1 THR A 26 8.421 3.627 1.782 1.00 0.00 O ATOM 356 CG2 THR A 26 8.683 5.772 2.851 1.00 0.00 C ATOM 0 H THR A 26 8.261 5.310 -0.066 1.00 0.00 H new ATOM 0 HA THR A 26 10.828 5.896 1.174 1.00 0.00 H new ATOM 0 HB THR A 26 10.122 4.188 2.829 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.644 4.062 1.374 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.173 5.400 3.739 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.417 6.524 3.142 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.954 6.219 2.175 1.00 0.00 H new ATOM 364 N VAL A 27 10.290 3.390 -0.801 1.00 0.00 N ATOM 365 CA VAL A 27 10.937 2.313 -1.540 1.00 0.00 C ATOM 366 C VAL A 27 10.879 2.565 -3.043 1.00 0.00 C ATOM 367 O VAL A 27 9.889 2.261 -3.710 1.00 0.00 O ATOM 368 CB VAL A 27 10.292 0.948 -1.233 1.00 0.00 C ATOM 369 CG1 VAL A 27 11.019 -0.164 -1.973 1.00 0.00 C ATOM 370 CG2 VAL A 27 10.298 0.682 0.265 1.00 0.00 C ATOM 0 H VAL A 27 9.374 3.658 -1.162 1.00 0.00 H new ATOM 0 HA VAL A 27 11.978 2.292 -1.217 1.00 0.00 H new ATOM 0 HB VAL A 27 9.258 0.971 -1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.550 -1.121 -1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.967 0.018 -3.046 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.063 -0.188 -1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.839 -0.286 0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.325 0.679 0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.734 1.463 0.775 1.00 0.00 H new ATOM 380 N PRO A 28 11.962 3.134 -3.589 1.00 0.00 N ATOM 381 CA PRO A 28 12.041 3.481 -5.012 1.00 0.00 C ATOM 382 C PRO A 28 12.098 2.249 -5.907 1.00 0.00 C ATOM 383 O PRO A 28 12.831 1.300 -5.630 1.00 0.00 O ATOM 384 CB PRO A 28 13.321 4.318 -5.116 1.00 0.00 C ATOM 385 CG PRO A 28 14.146 3.881 -3.955 1.00 0.00 C ATOM 386 CD PRO A 28 13.163 3.592 -2.851 1.00 0.00 C ATOM 0 HA PRO A 28 11.157 4.020 -5.352 1.00 0.00 H new ATOM 0 HB2 PRO A 28 13.837 4.139 -6.059 1.00 0.00 H new ATOM 0 HB3 PRO A 28 13.103 5.385 -5.069 1.00 0.00 H new ATOM 0 HG2 PRO A 28 14.732 2.995 -4.201 1.00 0.00 H new ATOM 0 HG3 PRO A 28 14.851 4.658 -3.660 1.00 0.00 H new ATOM 0 HD2 PRO A 28 13.534 2.827 -2.169 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.956 4.479 -2.252 1.00 0.00 H new ATOM 394 N GLY A 29 11.317 2.268 -6.984 1.00 0.00 N ATOM 395 CA GLY A 29 11.304 1.152 -7.912 1.00 0.00 C ATOM 396 C GLY A 29 10.353 0.052 -7.480 1.00 0.00 C ATOM 397 O GLY A 29 10.329 -1.023 -8.076 1.00 0.00 O ATOM 0 H GLY A 29 10.693 3.037 -7.230 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.017 1.509 -8.901 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.311 0.744 -8.000 1.00 0.00 H new ATOM 401 N ALA A 30 9.572 0.321 -6.440 1.00 0.00 N ATOM 402 CA ALA A 30 8.622 -0.657 -5.924 1.00 0.00 C ATOM 403 C ALA A 30 7.438 -0.823 -6.871 1.00 0.00 C ATOM 404 O ALA A 30 6.939 0.151 -7.432 1.00 0.00 O ATOM 405 CB ALA A 30 8.141 -0.247 -4.541 1.00 0.00 C ATOM 0 H ALA A 30 9.578 1.209 -5.938 1.00 0.00 H new ATOM 0 HA ALA A 30 9.131 -1.618 -5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.432 -0.986 -4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.992 -0.186 -3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.653 0.726 -4.599 1.00 0.00 H new ATOM 411 N ALA A 31 6.992 -2.063 -7.043 1.00 0.00 N ATOM 412 CA ALA A 31 5.798 -2.345 -7.830 1.00 0.00 C ATOM 413 C ALA A 31 4.560 -2.413 -6.943 1.00 0.00 C ATOM 414 O ALA A 31 4.486 -3.230 -6.025 1.00 0.00 O ATOM 415 CB ALA A 31 5.970 -3.644 -8.604 1.00 0.00 C ATOM 0 H ALA A 31 7.440 -2.889 -6.647 1.00 0.00 H new ATOM 0 HA ALA A 31 5.659 -1.529 -8.540 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.071 -3.842 -9.187 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.825 -3.558 -9.274 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.137 -4.464 -7.906 1.00 0.00 H new ATOM 421 N VAL A 32 3.588 -1.549 -7.222 1.00 0.00 N ATOM 422 CA VAL A 32 2.372 -1.483 -6.422 1.00 0.00 C ATOM 423 C VAL A 32 1.134 -1.700 -7.284 1.00 0.00 C ATOM 424 O VAL A 32 0.884 -0.951 -8.230 1.00 0.00 O ATOM 425 CB VAL A 32 2.248 -0.132 -5.692 1.00 0.00 C ATOM 426 CG1 VAL A 32 0.968 -0.086 -4.870 1.00 0.00 C ATOM 427 CG2 VAL A 32 3.459 0.107 -4.803 1.00 0.00 C ATOM 0 H VAL A 32 3.620 -0.886 -7.996 1.00 0.00 H new ATOM 0 HA VAL A 32 2.439 -2.280 -5.681 1.00 0.00 H new ATOM 0 HB VAL A 32 2.207 0.660 -6.440 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.897 0.875 -4.361 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.108 -0.213 -5.528 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.981 -0.887 -4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.354 1.066 -4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.530 -0.690 -4.063 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.362 0.116 -5.413 1.00 0.00 H new ATOM 437 N HIS A 33 0.361 -2.729 -6.953 1.00 0.00 N ATOM 438 CA HIS A 33 -0.945 -2.934 -7.570 1.00 0.00 C ATOM 439 C HIS A 33 -2.056 -2.862 -6.527 1.00 0.00 C ATOM 440 O HIS A 33 -2.244 -3.792 -5.742 1.00 0.00 O ATOM 441 CB HIS A 33 -0.995 -4.281 -8.300 1.00 0.00 C ATOM 442 CG HIS A 33 0.041 -4.422 -9.371 1.00 0.00 C ATOM 443 ND1 HIS A 33 -0.116 -3.889 -10.633 1.00 0.00 N ATOM 444 CD2 HIS A 33 1.248 -5.037 -9.370 1.00 0.00 C ATOM 445 CE1 HIS A 33 0.950 -4.169 -11.362 1.00 0.00 C ATOM 446 NE2 HIS A 33 1.791 -4.865 -10.620 1.00 0.00 N ATOM 0 H HIS A 33 0.616 -3.434 -6.261 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.100 -2.137 -8.297 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.866 -5.083 -7.574 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.983 -4.408 -8.743 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.699 -5.564 -8.542 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.107 -3.878 -12.390 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.698 -5.218 -10.926 1.00 0.00 H new ATOM 453 N ALA A 34 -2.788 -1.754 -6.525 1.00 0.00 N ATOM 454 CA ALA A 34 -3.769 -1.487 -5.480 1.00 0.00 C ATOM 455 C ALA A 34 -5.188 -1.523 -6.038 1.00 0.00 C ATOM 456 O ALA A 34 -5.445 -1.034 -7.137 1.00 0.00 O ATOM 457 CB ALA A 34 -3.491 -0.144 -4.824 1.00 0.00 C ATOM 0 H ALA A 34 -2.721 -1.026 -7.236 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.683 -2.270 -4.727 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.232 0.041 -4.046 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.495 -0.154 -4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.547 0.646 -5.573 1.00 0.00 H new ATOM 463 N ASP A 35 -6.106 -2.104 -5.272 1.00 0.00 N ATOM 464 CA ASP A 35 -7.513 -2.131 -5.653 1.00 0.00 C ATOM 465 C ASP A 35 -8.396 -1.659 -4.504 1.00 0.00 C ATOM 466 O ASP A 35 -8.624 -2.375 -3.528 1.00 0.00 O ATOM 467 CB ASP A 35 -7.924 -3.538 -6.092 1.00 0.00 C ATOM 468 CG ASP A 35 -9.383 -3.666 -6.512 1.00 0.00 C ATOM 469 OD1 ASP A 35 -10.141 -2.768 -6.234 1.00 0.00 O ATOM 470 OD2 ASP A 35 -9.692 -4.579 -7.239 1.00 0.00 O ATOM 0 H ASP A 35 -5.900 -2.562 -4.384 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.648 -1.449 -6.493 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.291 -3.845 -6.924 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.732 -4.231 -5.273 1.00 0.00 H new ATOM 475 N PRO A 36 -8.906 -0.423 -4.617 1.00 0.00 N ATOM 476 CA PRO A 36 -9.700 0.207 -3.557 1.00 0.00 C ATOM 477 C PRO A 36 -11.129 -0.323 -3.512 1.00 0.00 C ATOM 478 O PRO A 36 -11.801 -0.235 -2.486 1.00 0.00 O ATOM 479 CB PRO A 36 -9.691 1.688 -3.940 1.00 0.00 C ATOM 480 CG PRO A 36 -9.506 1.697 -5.419 1.00 0.00 C ATOM 481 CD PRO A 36 -8.616 0.526 -5.730 1.00 0.00 C ATOM 0 HA PRO A 36 -9.291 0.007 -2.567 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.623 2.176 -3.655 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.885 2.222 -3.437 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.463 1.608 -5.933 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.052 2.631 -5.750 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.848 0.090 -6.702 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.565 0.813 -5.752 1.00 0.00 H new ATOM 489 N ALA A 37 -11.587 -0.873 -4.632 1.00 0.00 N ATOM 490 CA ALA A 37 -12.863 -1.578 -4.671 1.00 0.00 C ATOM 491 C ALA A 37 -12.798 -2.876 -3.872 1.00 0.00 C ATOM 492 O ALA A 37 -13.773 -3.275 -3.235 1.00 0.00 O ATOM 493 CB ALA A 37 -13.267 -1.860 -6.110 1.00 0.00 C ATOM 0 H ALA A 37 -11.094 -0.844 -5.524 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.617 -0.938 -4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.221 -2.387 -6.123 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.364 -0.919 -6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.506 -2.477 -6.588 1.00 0.00 H new ATOM 499 N SER A 38 -11.642 -3.532 -3.912 1.00 0.00 N ATOM 500 CA SER A 38 -11.399 -4.705 -3.080 1.00 0.00 C ATOM 501 C SER A 38 -10.678 -4.318 -1.793 1.00 0.00 C ATOM 502 O SER A 38 -10.462 -5.153 -0.914 1.00 0.00 O ATOM 503 CB SER A 38 -10.597 -5.735 -3.850 1.00 0.00 C ATOM 504 OG SER A 38 -11.286 -6.207 -4.976 1.00 0.00 O ATOM 0 H SER A 38 -10.859 -3.271 -4.512 1.00 0.00 H new ATOM 0 HA SER A 38 -12.361 -5.141 -2.810 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.650 -5.296 -4.163 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.359 -6.572 -3.194 1.00 0.00 H new ATOM 0 HG SER A 38 -10.925 -5.782 -5.782 1.00 0.00 H new ATOM 510 N ARG A 39 -10.309 -3.046 -1.688 1.00 0.00 N ATOM 511 CA ARG A 39 -9.687 -2.527 -0.476 1.00 0.00 C ATOM 512 C ARG A 39 -8.415 -3.301 -0.142 1.00 0.00 C ATOM 513 O ARG A 39 -8.066 -3.471 1.025 1.00 0.00 O ATOM 514 CB ARG A 39 -10.653 -2.503 0.699 1.00 0.00 C ATOM 515 CG ARG A 39 -11.809 -1.525 0.556 1.00 0.00 C ATOM 516 CD ARG A 39 -12.533 -1.244 1.823 1.00 0.00 C ATOM 517 NE ARG A 39 -13.246 -2.385 2.376 1.00 0.00 N ATOM 518 CZ ARG A 39 -13.632 -2.495 3.662 1.00 0.00 C ATOM 519 NH1 ARG A 39 -13.344 -1.559 4.538 1.00 0.00 N ATOM 520 NH2 ARG A 39 -14.287 -3.584 4.025 1.00 0.00 N ATOM 0 H ARG A 39 -10.430 -2.355 -2.428 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.408 -1.491 -0.671 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.059 -3.505 0.838 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.097 -2.256 1.603 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.428 -0.587 0.153 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.516 -1.921 -0.173 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.818 -0.885 2.563 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.244 -0.437 1.649 1.00 0.00 H new ATOM 0 HE ARG A 39 -13.469 -3.156 1.746 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.820 -0.733 4.248 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.644 -1.658 5.508 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.487 -4.312 3.339 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.593 -3.697 4.992 1.00 0.00 H new ATOM 534 N THR A 40 -7.727 -3.772 -1.179 1.00 0.00 N ATOM 535 CA THR A 40 -6.563 -4.631 -0.995 1.00 0.00 C ATOM 536 C THR A 40 -5.378 -4.131 -1.814 1.00 0.00 C ATOM 537 O THR A 40 -5.532 -3.733 -2.969 1.00 0.00 O ATOM 538 CB THR A 40 -6.870 -6.087 -1.388 1.00 0.00 C ATOM 539 OG1 THR A 40 -7.970 -6.574 -0.608 1.00 0.00 O ATOM 540 CG2 THR A 40 -5.655 -6.970 -1.149 1.00 0.00 C ATOM 0 H THR A 40 -7.956 -3.573 -2.153 1.00 0.00 H new ATOM 0 HA THR A 40 -6.309 -4.597 0.064 1.00 0.00 H new ATOM 0 HB THR A 40 -7.126 -6.116 -2.447 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.771 -6.045 -0.806 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.890 -7.996 -1.432 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.820 -6.610 -1.749 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.384 -6.938 -0.094 1.00 0.00 H new ATOM 548 N VAL A 41 -4.194 -4.154 -1.210 1.00 0.00 N ATOM 549 CA VAL A 41 -2.984 -3.701 -1.882 1.00 0.00 C ATOM 550 C VAL A 41 -2.011 -4.855 -2.100 1.00 0.00 C ATOM 551 O VAL A 41 -1.697 -5.601 -1.172 1.00 0.00 O ATOM 552 CB VAL A 41 -2.276 -2.589 -1.085 1.00 0.00 C ATOM 553 CG1 VAL A 41 -1.010 -2.143 -1.801 1.00 0.00 C ATOM 554 CG2 VAL A 41 -3.211 -1.407 -0.875 1.00 0.00 C ATOM 0 H VAL A 41 -4.048 -4.482 -0.255 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.292 -3.301 -2.848 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.998 -2.988 -0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.523 -1.357 -1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.332 -2.991 -1.904 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.266 -1.761 -2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.695 -0.631 -0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.517 -1.009 -1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.092 -1.733 -0.322 1.00 0.00 H new ATOM 564 N VAL A 42 -1.535 -4.997 -3.333 1.00 0.00 N ATOM 565 CA VAL A 42 -0.514 -5.988 -3.650 1.00 0.00 C ATOM 566 C VAL A 42 0.844 -5.330 -3.867 1.00 0.00 C ATOM 567 O VAL A 42 0.981 -4.422 -4.688 1.00 0.00 O ATOM 568 CB VAL A 42 -0.887 -6.801 -4.904 1.00 0.00 C ATOM 569 CG1 VAL A 42 0.215 -7.795 -5.241 1.00 0.00 C ATOM 570 CG2 VAL A 42 -2.209 -7.525 -4.698 1.00 0.00 C ATOM 0 H VAL A 42 -1.841 -4.438 -4.129 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.454 -6.663 -2.796 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.999 -6.111 -5.740 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.065 -8.361 -6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.144 -7.258 -5.431 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.356 -8.479 -4.404 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.456 -8.094 -5.594 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.124 -8.204 -3.849 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.996 -6.797 -4.502 1.00 0.00 H new ATOM 580 N VAL A 43 1.845 -5.794 -3.126 1.00 0.00 N ATOM 581 CA VAL A 43 3.138 -5.120 -3.082 1.00 0.00 C ATOM 582 C VAL A 43 4.252 -6.037 -3.574 1.00 0.00 C ATOM 583 O VAL A 43 4.375 -7.178 -3.130 1.00 0.00 O ATOM 584 CB VAL A 43 3.474 -4.638 -1.658 1.00 0.00 C ATOM 585 CG1 VAL A 43 4.830 -3.948 -1.637 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.392 -3.701 -1.143 1.00 0.00 C ATOM 0 H VAL A 43 1.786 -6.633 -2.549 1.00 0.00 H new ATOM 0 HA VAL A 43 3.066 -4.255 -3.741 1.00 0.00 H new ATOM 0 HB VAL A 43 3.518 -5.507 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.052 -3.613 -0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.599 -4.647 -1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.811 -3.088 -2.307 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.646 -3.371 -0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.317 -2.835 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.436 -4.225 -1.123 1.00 0.00 H new ATOM 596 N GLY A 44 5.063 -5.530 -4.498 1.00 0.00 N ATOM 597 CA GLY A 44 6.177 -6.304 -5.012 1.00 0.00 C ATOM 598 C GLY A 44 7.394 -6.238 -4.111 1.00 0.00 C ATOM 599 O GLY A 44 7.272 -6.052 -2.901 1.00 0.00 O ATOM 0 H GLY A 44 4.968 -4.597 -4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.870 -7.344 -5.128 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.443 -5.938 -6.004 1.00 0.00 H new ATOM 603 N GLY A 45 8.576 -6.391 -4.702 1.00 0.00 N ATOM 604 CA GLY A 45 9.798 -6.425 -3.919 1.00 0.00 C ATOM 605 C GLY A 45 9.964 -5.193 -3.052 1.00 0.00 C ATOM 606 O GLY A 45 10.127 -4.084 -3.561 1.00 0.00 O ATOM 0 H GLY A 45 8.709 -6.492 -5.708 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.797 -7.313 -3.287 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.653 -6.512 -4.589 1.00 0.00 H new ATOM 610 N VAL A 46 9.923 -5.386 -1.738 1.00 0.00 N ATOM 611 CA VAL A 46 10.095 -4.287 -0.798 1.00 0.00 C ATOM 612 C VAL A 46 10.852 -4.740 0.447 1.00 0.00 C ATOM 613 O VAL A 46 11.140 -5.926 0.612 1.00 0.00 O ATOM 614 CB VAL A 46 8.741 -3.689 -0.374 1.00 0.00 C ATOM 615 CG1 VAL A 46 8.067 -3.007 -1.556 1.00 0.00 C ATOM 616 CG2 VAL A 46 7.838 -4.768 0.202 1.00 0.00 C ATOM 0 H VAL A 46 9.772 -6.295 -1.300 1.00 0.00 H new ATOM 0 HA VAL A 46 10.674 -3.521 -1.313 1.00 0.00 H new ATOM 0 HB VAL A 46 8.922 -2.942 0.399 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.111 -2.590 -1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.707 -2.207 -1.928 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.900 -3.735 -2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.886 -4.327 0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.664 -5.537 -0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.316 -5.215 1.074 1.00 0.00 H new ATOM 626 N SER A 47 11.169 -3.789 1.319 1.00 0.00 N ATOM 627 CA SER A 47 11.779 -4.106 2.606 1.00 0.00 C ATOM 628 C SER A 47 10.857 -4.986 3.443 1.00 0.00 C ATOM 629 O SER A 47 9.760 -5.344 3.011 1.00 0.00 O ATOM 630 CB SER A 47 12.116 -2.831 3.354 1.00 0.00 C ATOM 631 OG SER A 47 10.968 -2.137 3.757 1.00 0.00 O ATOM 0 H SER A 47 11.014 -2.794 1.159 1.00 0.00 H new ATOM 0 HA SER A 47 12.700 -4.659 2.422 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.718 -3.073 4.229 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.723 -2.188 2.717 1.00 0.00 H new ATOM 0 HG SER A 47 11.229 -1.323 4.237 1.00 0.00 H new ATOM 637 N ASP A 48 11.310 -5.335 4.643 1.00 0.00 N ATOM 638 CA ASP A 48 10.583 -6.269 5.493 1.00 0.00 C ATOM 639 C ASP A 48 9.079 -6.043 5.387 1.00 0.00 C ATOM 640 O ASP A 48 8.600 -4.914 5.499 1.00 0.00 O ATOM 641 CB ASP A 48 11.036 -6.138 6.948 1.00 0.00 C ATOM 642 CG ASP A 48 10.355 -7.103 7.910 1.00 0.00 C ATOM 643 OD1 ASP A 48 9.477 -7.815 7.483 1.00 0.00 O ATOM 644 OD2 ASP A 48 10.819 -7.233 9.017 1.00 0.00 O ATOM 0 H ASP A 48 12.178 -4.984 5.048 1.00 0.00 H new ATOM 0 HA ASP A 48 10.804 -7.279 5.148 1.00 0.00 H new ATOM 0 HB2 ASP A 48 12.113 -6.297 6.996 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.849 -5.118 7.283 1.00 0.00 H new ATOM 649 N ALA A 49 8.336 -7.124 5.169 1.00 0.00 N ATOM 650 CA ALA A 49 6.890 -7.037 4.997 1.00 0.00 C ATOM 651 C ALA A 49 6.241 -6.314 6.172 1.00 0.00 C ATOM 652 O ALA A 49 5.221 -5.645 6.013 1.00 0.00 O ATOM 653 CB ALA A 49 6.294 -8.427 4.834 1.00 0.00 C ATOM 0 H ALA A 49 8.712 -8.070 5.107 1.00 0.00 H new ATOM 0 HA ALA A 49 6.689 -6.460 4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.214 -8.347 4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.728 -8.909 3.958 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.512 -9.022 5.721 1.00 0.00 H new ATOM 659 N ALA A 50 6.837 -6.456 7.351 1.00 0.00 N ATOM 660 CA ALA A 50 6.388 -5.724 8.527 1.00 0.00 C ATOM 661 C ALA A 50 6.546 -4.220 8.330 1.00 0.00 C ATOM 662 O ALA A 50 5.671 -3.438 8.707 1.00 0.00 O ATOM 663 CB ALA A 50 7.155 -6.180 9.760 1.00 0.00 C ATOM 0 H ALA A 50 7.633 -7.072 7.516 1.00 0.00 H new ATOM 0 HA ALA A 50 5.329 -5.937 8.673 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.808 -5.624 10.631 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.987 -7.245 9.920 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.220 -5.998 9.614 1.00 0.00 H new ATOM 669 N HIS A 51 7.667 -3.819 7.739 1.00 0.00 N ATOM 670 CA HIS A 51 7.978 -2.404 7.567 1.00 0.00 C ATOM 671 C HIS A 51 7.052 -1.766 6.537 1.00 0.00 C ATOM 672 O HIS A 51 6.565 -0.651 6.732 1.00 0.00 O ATOM 673 CB HIS A 51 9.440 -2.217 7.149 1.00 0.00 C ATOM 674 CG HIS A 51 10.422 -2.563 8.224 1.00 0.00 C ATOM 675 ND1 HIS A 51 11.774 -2.688 7.983 1.00 0.00 N ATOM 676 CD2 HIS A 51 10.250 -2.811 9.543 1.00 0.00 C ATOM 677 CE1 HIS A 51 12.391 -2.997 9.111 1.00 0.00 C ATOM 678 NE2 HIS A 51 11.489 -3.079 10.071 1.00 0.00 N ATOM 0 H HIS A 51 8.375 -4.454 7.371 1.00 0.00 H new ATOM 0 HA HIS A 51 7.823 -1.908 8.525 1.00 0.00 H new ATOM 0 HB2 HIS A 51 9.640 -2.835 6.274 1.00 0.00 H new ATOM 0 HB3 HIS A 51 9.593 -1.180 6.849 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.313 -2.800 10.080 1.00 0.00 H new ATOM 0 HE1 HIS A 51 13.453 -3.155 9.227 1.00 0.00 H new ATOM 0 HE2 HIS A 51 11.681 -3.305 11.047 1.00 0.00 H new ATOM 685 N ILE A 52 6.815 -2.477 5.440 1.00 0.00 N ATOM 686 CA ILE A 52 6.007 -1.949 4.347 1.00 0.00 C ATOM 687 C ILE A 52 4.538 -1.857 4.746 1.00 0.00 C ATOM 688 O ILE A 52 3.801 -1.007 4.247 1.00 0.00 O ATOM 689 CB ILE A 52 6.135 -2.816 3.081 1.00 0.00 C ATOM 690 CG1 ILE A 52 5.640 -2.046 1.854 1.00 0.00 C ATOM 691 CG2 ILE A 52 5.360 -4.114 3.246 1.00 0.00 C ATOM 692 CD1 ILE A 52 6.436 -0.795 1.557 1.00 0.00 C ATOM 0 H ILE A 52 7.171 -3.420 5.284 1.00 0.00 H new ATOM 0 HA ILE A 52 6.384 -0.950 4.129 1.00 0.00 H new ATOM 0 HB ILE A 52 7.187 -3.060 2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.676 -2.703 0.985 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.595 -1.774 2.005 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.461 -4.715 2.342 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.756 -4.668 4.097 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.307 -3.890 3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.026 -0.304 0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.380 -0.117 2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.477 -1.061 1.373 1.00 0.00 H new ATOM 704 N ALA A 53 4.119 -2.738 5.648 1.00 0.00 N ATOM 705 CA ALA A 53 2.786 -2.657 6.233 1.00 0.00 C ATOM 706 C ALA A 53 2.628 -1.389 7.064 1.00 0.00 C ATOM 707 O ALA A 53 1.584 -0.738 7.025 1.00 0.00 O ATOM 708 CB ALA A 53 2.508 -3.888 7.084 1.00 0.00 C ATOM 0 H ALA A 53 4.683 -3.516 5.990 1.00 0.00 H new ATOM 0 HA ALA A 53 2.060 -2.620 5.421 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.509 -3.815 7.515 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.570 -4.781 6.463 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.245 -3.951 7.885 1.00 0.00 H new ATOM 714 N GLU A 54 3.669 -1.046 7.816 1.00 0.00 N ATOM 715 CA GLU A 54 3.689 0.206 8.565 1.00 0.00 C ATOM 716 C GLU A 54 3.732 1.404 7.622 1.00 0.00 C ATOM 717 O GLU A 54 3.129 2.443 7.893 1.00 0.00 O ATOM 718 CB GLU A 54 4.884 0.241 9.521 1.00 0.00 C ATOM 719 CG GLU A 54 4.781 -0.724 10.693 1.00 0.00 C ATOM 720 CD GLU A 54 6.050 -0.744 11.498 1.00 0.00 C ATOM 721 OE1 GLU A 54 6.987 -0.089 11.109 1.00 0.00 O ATOM 722 OE2 GLU A 54 6.048 -1.322 12.559 1.00 0.00 O ATOM 0 H GLU A 54 4.508 -1.616 7.923 1.00 0.00 H new ATOM 0 HA GLU A 54 2.771 0.263 9.150 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.790 0.015 8.959 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.994 1.254 9.909 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.947 -0.435 11.332 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.567 -1.727 10.323 1.00 0.00 H new ATOM 729 N ILE A 55 4.451 1.253 6.515 1.00 0.00 N ATOM 730 CA ILE A 55 4.533 2.304 5.509 1.00 0.00 C ATOM 731 C ILE A 55 3.177 2.551 4.858 1.00 0.00 C ATOM 732 O ILE A 55 2.800 3.695 4.598 1.00 0.00 O ATOM 733 CB ILE A 55 5.562 1.960 4.416 1.00 0.00 C ATOM 734 CG1 ILE A 55 6.983 2.019 4.984 1.00 0.00 C ATOM 735 CG2 ILE A 55 5.418 2.905 3.233 1.00 0.00 C ATOM 736 CD1 ILE A 55 8.024 1.387 4.088 1.00 0.00 C ATOM 0 H ILE A 55 4.985 0.413 6.292 1.00 0.00 H new ATOM 0 HA ILE A 55 4.854 3.209 6.025 1.00 0.00 H new ATOM 0 HB ILE A 55 5.372 0.945 4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.252 3.061 5.159 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.998 1.519 5.952 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.153 2.648 2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.415 2.815 2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.583 3.930 3.564 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.005 1.467 4.557 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.781 0.336 3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.038 1.902 3.127 1.00 0.00 H new ATOM 748 N ILE A 56 2.445 1.472 4.599 1.00 0.00 N ATOM 749 CA ILE A 56 1.095 1.577 4.062 1.00 0.00 C ATOM 750 C ILE A 56 0.170 2.301 5.035 1.00 0.00 C ATOM 751 O ILE A 56 -0.604 3.173 4.641 1.00 0.00 O ATOM 752 CB ILE A 56 0.505 0.191 3.743 1.00 0.00 C ATOM 753 CG1 ILE A 56 1.223 -0.430 2.542 1.00 0.00 C ATOM 754 CG2 ILE A 56 -0.989 0.297 3.478 1.00 0.00 C ATOM 755 CD1 ILE A 56 0.920 -1.898 2.342 1.00 0.00 C ATOM 0 H ILE A 56 2.765 0.516 4.753 1.00 0.00 H new ATOM 0 HA ILE A 56 1.168 2.152 3.139 1.00 0.00 H new ATOM 0 HB ILE A 56 0.654 -0.457 4.606 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.942 0.115 1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.298 -0.304 2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.390 -0.692 3.254 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.487 0.700 4.360 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.162 0.959 2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.465 -2.267 1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.227 -2.457 3.226 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.150 -2.030 2.183 1.00 0.00 H new ATOM 767 N THR A 57 0.258 1.934 6.311 1.00 0.00 N ATOM 768 CA THR A 57 -0.545 2.573 7.347 1.00 0.00 C ATOM 769 C THR A 57 -0.065 3.996 7.614 1.00 0.00 C ATOM 770 O THR A 57 -0.830 4.841 8.076 1.00 0.00 O ATOM 771 CB THR A 57 -0.508 1.773 8.662 1.00 0.00 C ATOM 772 OG1 THR A 57 0.845 1.665 9.121 1.00 0.00 O ATOM 773 CG2 THR A 57 -1.083 0.380 8.455 1.00 0.00 C ATOM 0 H THR A 57 0.877 1.198 6.651 1.00 0.00 H new ATOM 0 HA THR A 57 -1.571 2.602 6.979 1.00 0.00 H new ATOM 0 HB THR A 57 -1.110 2.296 9.405 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.450 2.037 8.446 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.049 -0.171 9.395 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.117 0.459 8.118 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.496 -0.148 7.703 1.00 0.00 H new ATOM 781 N ALA A 58 1.205 4.253 7.319 1.00 0.00 N ATOM 782 CA ALA A 58 1.775 5.583 7.488 1.00 0.00 C ATOM 783 C ALA A 58 1.123 6.583 6.536 1.00 0.00 C ATOM 784 O ALA A 58 1.215 7.793 6.736 1.00 0.00 O ATOM 785 CB ALA A 58 3.279 5.545 7.269 1.00 0.00 C ATOM 0 H ALA A 58 1.859 3.557 6.961 1.00 0.00 H new ATOM 0 HA ALA A 58 1.577 5.910 8.509 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.691 6.546 7.399 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.735 4.869 7.992 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.491 5.193 6.259 1.00 0.00 H new ATOM 791 N ALA A 59 0.470 6.068 5.502 1.00 0.00 N ATOM 792 CA ALA A 59 -0.218 6.913 4.533 1.00 0.00 C ATOM 793 C ALA A 59 -1.557 7.398 5.080 1.00 0.00 C ATOM 794 O ALA A 59 -2.255 8.180 4.437 1.00 0.00 O ATOM 795 CB ALA A 59 -0.420 6.162 3.226 1.00 0.00 C ATOM 0 H ALA A 59 0.402 5.068 5.312 1.00 0.00 H new ATOM 0 HA ALA A 59 0.405 7.787 4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.935 6.805 2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.549 5.872 2.820 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.019 5.270 3.408 1.00 0.00 H new ATOM 801 N GLY A 60 -1.907 6.927 6.273 1.00 0.00 N ATOM 802 CA GLY A 60 -3.158 7.330 6.891 1.00 0.00 C ATOM 803 C GLY A 60 -4.290 6.368 6.590 1.00 0.00 C ATOM 804 O GLY A 60 -5.436 6.607 6.971 1.00 0.00 O ATOM 0 H GLY A 60 -1.348 6.274 6.822 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.021 7.399 7.970 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.429 8.326 6.540 1.00 0.00 H new ATOM 808 N TYR A 61 -3.970 5.277 5.903 1.00 0.00 N ATOM 809 CA TYR A 61 -4.957 4.249 5.597 1.00 0.00 C ATOM 810 C TYR A 61 -4.568 2.916 6.230 1.00 0.00 C ATOM 811 O TYR A 61 -3.561 2.310 5.862 1.00 0.00 O ATOM 812 CB TYR A 61 -5.115 4.087 4.084 1.00 0.00 C ATOM 813 CG TYR A 61 -5.562 5.348 3.377 1.00 0.00 C ATOM 814 CD1 TYR A 61 -6.910 5.635 3.221 1.00 0.00 C ATOM 815 CD2 TYR A 61 -4.636 6.246 2.866 1.00 0.00 C ATOM 816 CE1 TYR A 61 -7.325 6.784 2.576 1.00 0.00 C ATOM 817 CE2 TYR A 61 -5.039 7.398 2.220 1.00 0.00 C ATOM 818 CZ TYR A 61 -6.386 7.664 2.077 1.00 0.00 C ATOM 819 OH TYR A 61 -6.793 8.809 1.432 1.00 0.00 O ATOM 0 H TYR A 61 -3.034 5.082 5.547 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.912 4.565 6.017 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.164 3.763 3.662 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.838 3.295 3.886 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.648 4.949 3.610 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.581 6.040 2.975 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.379 6.993 2.463 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.305 8.087 1.829 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.568 8.608 0.867 1.00 0.00 H new ATOM 829 N THR A 62 -5.374 2.463 7.185 1.00 0.00 N ATOM 830 CA THR A 62 -5.046 1.277 7.964 1.00 0.00 C ATOM 831 C THR A 62 -6.300 0.476 8.300 1.00 0.00 C ATOM 832 O THR A 62 -7.362 1.030 8.586 1.00 0.00 O ATOM 833 CB THR A 62 -4.316 1.642 9.270 1.00 0.00 C ATOM 834 OG1 THR A 62 -4.019 0.446 10.005 1.00 0.00 O ATOM 835 CG2 THR A 62 -5.178 2.557 10.125 1.00 0.00 C ATOM 0 H THR A 62 -6.260 2.901 7.437 1.00 0.00 H new ATOM 0 HA THR A 62 -4.384 0.669 7.348 1.00 0.00 H new ATOM 0 HB THR A 62 -3.391 2.162 9.019 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.553 0.679 10.835 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.646 2.804 11.044 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.395 3.472 9.574 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.112 2.052 10.371 1.00 0.00 H new