USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 717 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 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 88 SER OG : rot -73:sc= -0.366 USER MOD Set 2.1: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 41 GLN : amide:sc= -0.493 K(o=-0.49,f=-2.1) USER MOD Set 3.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 13 THR OG1 : rot 62:sc= 1.11 USER MOD Single : A 5 LYS NZ :NH3+ -159:sc= -0.0458 (180deg=-0.583) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 134:sc= 1.23 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 26 HIS : no HE2:sc= 0.434 K(o=0.43,f=-1.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot -82:sc= 1 USER MOD Single : A 32 SER OG : rot 180:sc= 0.567 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -164:sc= -0.0304 (180deg=-0.329) USER MOD Single : A 38 SER OG : rot -170:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -105:sc= -1.1! USER MOD Single : A 54 SER OG : rot 180:sc= -0.66 USER MOD Single : A 55 SER OG : rot -90:sc= 0.645 USER MOD Single : A 59 GLN : amide:sc= -0.012 K(o=-0.012,f=-1.8!) USER MOD Single : A 61 GLN : amide:sc= -0.5 K(o=-0.5,f=-1.5) USER MOD Single : A 63 SER OG : rot 37:sc= 0.097 USER MOD Single : A 70 ASN : amide:sc= -0.199 K(o=-0.2,f=-1.8!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 77 ASN : amide:sc= -1.73 K(o=-1.7,f=-4.8!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -110:sc= -0.0199 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 14 N ASP A 2 -10.435 -2.035 -2.931 1.00 0.00 N ATOM 15 CA ASP A 2 -10.326 -3.465 -2.522 1.00 0.00 C ATOM 16 C ASP A 2 -8.865 -3.834 -2.254 1.00 0.00 C ATOM 17 O ASP A 2 -7.948 -3.216 -2.759 1.00 0.00 O ATOM 18 CB ASP A 2 -10.881 -4.349 -3.639 1.00 0.00 C ATOM 19 CG ASP A 2 -10.901 -5.809 -3.182 1.00 0.00 C ATOM 20 OD1 ASP A 2 -10.719 -6.042 -1.999 1.00 0.00 O ATOM 21 OD2 ASP A 2 -11.100 -6.669 -4.025 1.00 0.00 O ATOM 0 HA ASP A 2 -10.898 -3.619 -1.607 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.888 -4.027 -3.904 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.268 -4.247 -4.535 1.00 0.00 H new ATOM 26 N LEU A 3 -8.648 -4.837 -1.445 1.00 0.00 N ATOM 27 CA LEU A 3 -7.257 -5.252 -1.117 1.00 0.00 C ATOM 28 C LEU A 3 -6.633 -5.984 -2.306 1.00 0.00 C ATOM 29 O LEU A 3 -7.158 -6.964 -2.796 1.00 0.00 O ATOM 30 CB LEU A 3 -7.298 -6.177 0.103 1.00 0.00 C ATOM 31 CG LEU A 3 -5.891 -6.694 0.432 1.00 0.00 C ATOM 32 CD1 LEU A 3 -4.930 -5.513 0.645 1.00 0.00 C ATOM 33 CD2 LEU A 3 -5.958 -7.543 1.706 1.00 0.00 C ATOM 0 H LEU A 3 -9.380 -5.388 -0.996 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.652 -4.373 -0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.705 -5.640 0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.964 -7.017 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.523 -7.299 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.935 -5.891 0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.886 -4.911 -0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.287 -4.898 1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.962 -7.915 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.328 -6.933 2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.631 -8.385 1.547 1.00 0.00 H new ATOM 45 N VAL A 4 -5.502 -5.512 -2.767 1.00 0.00 N ATOM 46 CA VAL A 4 -4.819 -6.167 -3.922 1.00 0.00 C ATOM 47 C VAL A 4 -3.307 -6.180 -3.700 1.00 0.00 C ATOM 48 O VAL A 4 -2.784 -5.524 -2.819 1.00 0.00 O ATOM 49 CB VAL A 4 -5.134 -5.408 -5.207 1.00 0.00 C ATOM 50 CG1 VAL A 4 -6.638 -5.472 -5.478 1.00 0.00 C ATOM 51 CG2 VAL A 4 -4.694 -3.949 -5.060 1.00 0.00 C ATOM 0 H VAL A 4 -5.020 -4.696 -2.390 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.179 -7.192 -4.006 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.598 -5.861 -6.041 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.866 -4.930 -6.396 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.944 -6.513 -5.585 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -7.177 -5.019 -4.646 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.919 -3.407 -5.978 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.228 -3.490 -4.228 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.622 -3.910 -4.869 1.00 0.00 H new ATOM 61 N LYS A 5 -2.608 -6.936 -4.496 1.00 0.00 N ATOM 62 CA LYS A 5 -1.130 -7.029 -4.361 1.00 0.00 C ATOM 63 C LYS A 5 -0.455 -5.799 -4.977 1.00 0.00 C ATOM 64 O LYS A 5 -1.004 -5.128 -5.830 1.00 0.00 O ATOM 65 CB LYS A 5 -0.644 -8.292 -5.081 1.00 0.00 C ATOM 66 CG LYS A 5 -1.151 -9.559 -4.353 1.00 0.00 C ATOM 67 CD LYS A 5 -2.504 -9.997 -4.928 1.00 0.00 C ATOM 68 CE LYS A 5 -2.984 -11.252 -4.201 1.00 0.00 C ATOM 69 NZ LYS A 5 -2.022 -12.362 -4.442 1.00 0.00 N ATOM 0 H LYS A 5 -3.004 -7.502 -5.246 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.870 -7.074 -3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.000 -8.290 -6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.445 -8.299 -5.120 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.424 -10.364 -4.461 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.249 -9.359 -3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.235 -9.197 -4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.410 -10.196 -5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.070 -11.056 -3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.976 -11.533 -4.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.493 -13.273 -4.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.689 -12.325 -5.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.211 -12.264 -3.799 1.00 0.00 H new ATOM 83 N ILE A 6 0.738 -5.506 -4.536 1.00 0.00 N ATOM 84 CA ILE A 6 1.483 -4.331 -5.067 1.00 0.00 C ATOM 85 C ILE A 6 1.768 -4.526 -6.562 1.00 0.00 C ATOM 86 O ILE A 6 1.637 -3.614 -7.355 1.00 0.00 O ATOM 87 CB ILE A 6 2.804 -4.195 -4.307 1.00 0.00 C ATOM 88 CG1 ILE A 6 2.519 -3.814 -2.852 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.666 -3.110 -4.961 1.00 0.00 C ATOM 90 CD1 ILE A 6 3.806 -3.916 -2.029 1.00 0.00 C ATOM 0 H ILE A 6 1.234 -6.038 -3.821 1.00 0.00 H new ATOM 0 HA ILE A 6 0.885 -3.429 -4.935 1.00 0.00 H new ATOM 0 HB ILE A 6 3.337 -5.145 -4.337 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.124 -2.799 -2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.757 -4.473 -2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.606 -3.015 -4.418 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.871 -3.383 -5.996 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.135 -2.159 -4.935 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.599 -3.644 -0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.182 -4.938 -2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.555 -3.238 -2.439 1.00 0.00 H new ATOM 102 N ARG A 7 2.171 -5.704 -6.948 1.00 0.00 N ATOM 103 CA ARG A 7 2.477 -5.956 -8.386 1.00 0.00 C ATOM 104 C ARG A 7 1.198 -5.834 -9.219 1.00 0.00 C ATOM 105 O ARG A 7 1.242 -5.651 -10.420 1.00 0.00 O ATOM 106 CB ARG A 7 3.064 -7.362 -8.543 1.00 0.00 C ATOM 107 CG ARG A 7 4.457 -7.415 -7.905 1.00 0.00 C ATOM 108 CD ARG A 7 5.039 -8.826 -8.051 1.00 0.00 C ATOM 109 NE ARG A 7 4.268 -9.775 -7.200 1.00 0.00 N ATOM 110 CZ ARG A 7 4.585 -11.044 -7.168 1.00 0.00 C ATOM 111 NH1 ARG A 7 5.577 -11.493 -7.889 1.00 0.00 N ATOM 112 NH2 ARG A 7 3.907 -11.863 -6.413 1.00 0.00 N ATOM 0 H ARG A 7 2.302 -6.505 -6.330 1.00 0.00 H new ATOM 0 HA ARG A 7 3.200 -5.219 -8.735 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.409 -8.095 -8.071 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.127 -7.624 -9.599 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.114 -6.689 -8.383 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.395 -7.144 -6.851 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.998 -9.141 -9.094 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.089 -8.829 -7.758 1.00 0.00 H new ATOM 0 HE ARG A 7 3.488 -9.433 -6.639 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.108 -10.854 -8.480 1.00 0.00 H new ATOM 0 HH12 ARG A 7 5.821 -12.483 -7.861 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.132 -11.514 -5.849 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.152 -12.853 -6.386 1.00 0.00 H new ATOM 126 N ASP A 8 0.060 -5.934 -8.593 1.00 0.00 N ATOM 127 CA ASP A 8 -1.225 -5.821 -9.343 1.00 0.00 C ATOM 128 C ASP A 8 -1.609 -4.343 -9.465 1.00 0.00 C ATOM 129 O ASP A 8 -2.609 -3.995 -10.064 1.00 0.00 O ATOM 130 CB ASP A 8 -2.319 -6.572 -8.581 1.00 0.00 C ATOM 131 CG ASP A 8 -3.612 -6.570 -9.399 1.00 0.00 C ATOM 132 OD1 ASP A 8 -3.553 -6.212 -10.564 1.00 0.00 O ATOM 133 OD2 ASP A 8 -4.640 -6.924 -8.845 1.00 0.00 O ATOM 0 H ASP A 8 -0.038 -6.090 -7.590 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.112 -6.251 -10.338 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.002 -7.597 -8.386 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.489 -6.102 -7.613 1.00 0.00 H new ATOM 138 N VAL A 9 -0.825 -3.474 -8.887 1.00 0.00 N ATOM 139 CA VAL A 9 -1.143 -2.019 -8.944 1.00 0.00 C ATOM 140 C VAL A 9 -1.021 -1.502 -10.377 1.00 0.00 C ATOM 141 O VAL A 9 -0.056 -1.763 -11.070 1.00 0.00 O ATOM 142 CB VAL A 9 -0.173 -1.261 -8.035 1.00 0.00 C ATOM 143 CG1 VAL A 9 -0.370 0.249 -8.212 1.00 0.00 C ATOM 144 CG2 VAL A 9 -0.443 -1.645 -6.575 1.00 0.00 C ATOM 0 H VAL A 9 0.025 -3.710 -8.376 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.167 -1.861 -8.607 1.00 0.00 H new ATOM 0 HB VAL A 9 0.852 -1.522 -8.300 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.323 0.785 -7.563 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.179 0.522 -9.250 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.394 0.516 -7.949 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.246 -1.107 -5.924 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.468 -1.383 -6.314 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.299 -2.718 -6.448 1.00 0.00 H new ATOM 154 N SER A 10 -2.000 -0.762 -10.820 1.00 0.00 N ATOM 155 CA SER A 10 -1.966 -0.212 -12.201 1.00 0.00 C ATOM 156 C SER A 10 -2.857 1.029 -12.280 1.00 0.00 C ATOM 157 O SER A 10 -3.627 1.318 -11.387 1.00 0.00 O ATOM 158 CB SER A 10 -2.473 -1.261 -13.191 1.00 0.00 C ATOM 159 OG SER A 10 -3.727 -1.761 -12.747 1.00 0.00 O ATOM 0 H SER A 10 -2.828 -0.514 -10.278 1.00 0.00 H new ATOM 0 HA SER A 10 -0.940 0.056 -12.452 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.575 -0.822 -14.183 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.753 -2.075 -13.275 1.00 0.00 H new ATOM 0 HG SER A 10 -4.055 -2.432 -13.381 1.00 0.00 H new ATOM 165 N LEU A 11 -2.752 1.762 -13.352 1.00 0.00 N ATOM 166 CA LEU A 11 -3.584 2.988 -13.521 1.00 0.00 C ATOM 167 C LEU A 11 -5.063 2.596 -13.548 1.00 0.00 C ATOM 168 O LEU A 11 -5.915 3.296 -13.035 1.00 0.00 O ATOM 169 CB LEU A 11 -3.207 3.664 -14.840 1.00 0.00 C ATOM 170 CG LEU A 11 -1.764 4.185 -14.766 1.00 0.00 C ATOM 171 CD1 LEU A 11 -1.334 4.694 -16.147 1.00 0.00 C ATOM 172 CD2 LEU A 11 -1.655 5.327 -13.733 1.00 0.00 C ATOM 0 H LEU A 11 -2.119 1.563 -14.127 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.409 3.675 -12.693 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.306 2.956 -15.663 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.890 4.488 -15.045 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.110 3.371 -14.455 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.310 5.064 -16.096 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.390 3.879 -16.869 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.996 5.501 -16.460 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.626 5.685 -13.693 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.313 6.146 -14.025 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.949 4.958 -12.750 1.00 0.00 H new ATOM 184 N SER A 12 -5.372 1.485 -14.151 1.00 0.00 N ATOM 185 CA SER A 12 -6.792 1.045 -14.220 1.00 0.00 C ATOM 186 C SER A 12 -7.370 0.957 -12.806 1.00 0.00 C ATOM 187 O SER A 12 -8.571 0.987 -12.616 1.00 0.00 O ATOM 188 CB SER A 12 -6.858 -0.329 -14.879 1.00 0.00 C ATOM 189 OG SER A 12 -6.587 -0.200 -16.268 1.00 0.00 O ATOM 0 H SER A 12 -4.702 0.861 -14.600 1.00 0.00 H new ATOM 0 HA SER A 12 -7.369 1.763 -14.803 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.135 -1.001 -14.417 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.844 -0.769 -14.729 1.00 0.00 H new ATOM 0 HG SER A 12 -6.627 -1.082 -16.692 1.00 0.00 H new ATOM 195 N THR A 13 -6.522 0.847 -11.814 1.00 0.00 N ATOM 196 CA THR A 13 -7.002 0.757 -10.401 1.00 0.00 C ATOM 197 C THR A 13 -6.557 2.014 -9.640 1.00 0.00 C ATOM 198 O THR A 13 -5.579 1.991 -8.919 1.00 0.00 O ATOM 199 CB THR A 13 -6.402 -0.487 -9.747 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.026 -0.270 -9.468 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.560 -1.674 -10.699 1.00 0.00 C ATOM 0 H THR A 13 -5.508 0.815 -11.924 1.00 0.00 H new ATOM 0 HA THR A 13 -8.089 0.687 -10.378 1.00 0.00 H new ATOM 0 HB THR A 13 -6.920 -0.696 -8.811 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.934 0.473 -8.835 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.135 -2.567 -10.241 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.618 -1.839 -10.902 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.040 -1.463 -11.633 1.00 0.00 H new ATOM 209 N PRO A 14 -7.264 3.114 -9.811 1.00 0.00 N ATOM 210 CA PRO A 14 -6.922 4.403 -9.137 1.00 0.00 C ATOM 211 C PRO A 14 -7.175 4.347 -7.628 1.00 0.00 C ATOM 212 O PRO A 14 -6.637 5.132 -6.874 1.00 0.00 O ATOM 213 CB PRO A 14 -7.845 5.433 -9.813 1.00 0.00 C ATOM 214 CG PRO A 14 -9.008 4.639 -10.312 1.00 0.00 C ATOM 215 CD PRO A 14 -8.468 3.248 -10.656 1.00 0.00 C ATOM 0 HA PRO A 14 -5.865 4.648 -9.238 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.164 6.200 -9.108 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.336 5.943 -10.630 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.789 4.576 -9.554 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.452 5.111 -11.189 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.199 2.470 -10.436 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.224 3.165 -11.715 1.00 0.00 H new ATOM 223 N TYR A 15 -7.996 3.426 -7.188 1.00 0.00 N ATOM 224 CA TYR A 15 -8.301 3.311 -5.729 1.00 0.00 C ATOM 225 C TYR A 15 -8.075 1.873 -5.272 1.00 0.00 C ATOM 226 O TYR A 15 -8.855 0.982 -5.563 1.00 0.00 O ATOM 227 CB TYR A 15 -9.755 3.714 -5.485 1.00 0.00 C ATOM 228 CG TYR A 15 -9.930 5.173 -5.848 1.00 0.00 C ATOM 229 CD1 TYR A 15 -9.312 6.161 -5.071 1.00 0.00 C ATOM 230 CD2 TYR A 15 -10.701 5.538 -6.960 1.00 0.00 C ATOM 231 CE1 TYR A 15 -9.466 7.513 -5.405 1.00 0.00 C ATOM 232 CE2 TYR A 15 -10.855 6.890 -7.292 1.00 0.00 C ATOM 233 CZ TYR A 15 -10.238 7.877 -6.515 1.00 0.00 C ATOM 234 OH TYR A 15 -10.393 9.209 -6.841 1.00 0.00 O ATOM 0 H TYR A 15 -8.471 2.745 -7.781 1.00 0.00 H new ATOM 0 HA TYR A 15 -7.644 3.971 -5.162 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -10.423 3.094 -6.084 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -10.020 3.552 -4.440 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -8.717 5.881 -4.214 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -11.176 4.777 -7.561 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.989 8.275 -4.806 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.450 7.171 -8.148 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.957 9.287 -7.639 1.00 0.00 H new ATOM 244 N VAL A 16 -7.008 1.642 -4.550 1.00 0.00 N ATOM 245 CA VAL A 16 -6.706 0.261 -4.060 1.00 0.00 C ATOM 246 C VAL A 16 -6.193 0.314 -2.623 1.00 0.00 C ATOM 247 O VAL A 16 -5.776 1.346 -2.135 1.00 0.00 O ATOM 248 CB VAL A 16 -5.636 -0.380 -4.946 1.00 0.00 C ATOM 249 CG1 VAL A 16 -6.195 -0.590 -6.350 1.00 0.00 C ATOM 250 CG2 VAL A 16 -4.409 0.533 -5.015 1.00 0.00 C ATOM 0 H VAL A 16 -6.330 2.353 -4.277 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.621 -0.330 -4.098 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.346 -1.342 -4.523 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.432 -1.047 -6.981 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.065 -1.245 -6.301 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.488 0.371 -6.773 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.649 0.074 -5.647 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.696 1.497 -5.435 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.008 0.679 -4.012 1.00 0.00 H new ATOM 260 N SER A 17 -6.214 -0.808 -1.946 1.00 0.00 N ATOM 261 CA SER A 17 -5.722 -0.868 -0.535 1.00 0.00 C ATOM 262 C SER A 17 -4.539 -1.831 -0.461 1.00 0.00 C ATOM 263 O SER A 17 -4.569 -2.908 -1.033 1.00 0.00 O ATOM 264 CB SER A 17 -6.841 -1.369 0.372 1.00 0.00 C ATOM 265 OG SER A 17 -6.326 -1.573 1.680 1.00 0.00 O ATOM 0 H SER A 17 -6.555 -1.695 -2.316 1.00 0.00 H new ATOM 0 HA SER A 17 -5.411 0.125 -0.211 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.656 -0.646 0.398 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.253 -2.299 -0.019 1.00 0.00 H new ATOM 0 HG SER A 17 -6.939 -1.182 2.337 1.00 0.00 H new ATOM 271 N VAL A 18 -3.493 -1.455 0.239 1.00 0.00 N ATOM 272 CA VAL A 18 -2.293 -2.343 0.357 1.00 0.00 C ATOM 273 C VAL A 18 -1.840 -2.420 1.811 1.00 0.00 C ATOM 274 O VAL A 18 -2.199 -1.603 2.638 1.00 0.00 O ATOM 275 CB VAL A 18 -1.152 -1.792 -0.497 1.00 0.00 C ATOM 276 CG1 VAL A 18 -1.567 -1.809 -1.966 1.00 0.00 C ATOM 277 CG2 VAL A 18 -0.828 -0.358 -0.072 1.00 0.00 C ATOM 0 H VAL A 18 -3.420 -0.567 0.735 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.561 -3.340 0.008 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.266 -2.412 -0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.755 -1.416 -2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.788 -2.832 -2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.454 -1.191 -2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.014 0.028 -0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.710 0.269 -0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.529 -0.348 0.976 1.00 0.00 H new ATOM 287 N ILE A 19 -1.049 -3.413 2.128 1.00 0.00 N ATOM 288 CA ILE A 19 -0.556 -3.577 3.525 1.00 0.00 C ATOM 289 C ILE A 19 0.929 -3.929 3.504 1.00 0.00 C ATOM 290 O ILE A 19 1.392 -4.666 2.654 1.00 0.00 O ATOM 291 CB ILE A 19 -1.336 -4.703 4.206 1.00 0.00 C ATOM 292 CG1 ILE A 19 -0.960 -4.758 5.693 1.00 0.00 C ATOM 293 CG2 ILE A 19 -1.009 -6.044 3.541 1.00 0.00 C ATOM 294 CD1 ILE A 19 -1.576 -6.001 6.346 1.00 0.00 C ATOM 0 H ILE A 19 -0.722 -4.122 1.472 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.700 -2.647 4.074 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.404 -4.510 4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.124 -4.780 5.801 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.313 -3.859 6.199 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.569 -6.840 4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.284 -6.004 2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.059 -6.243 3.630 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.303 -6.031 7.401 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.661 -5.961 6.253 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.202 -6.896 5.849 1.00 0.00 H new ATOM 306 N GLY A 20 1.685 -3.416 4.437 1.00 0.00 N ATOM 307 CA GLY A 20 3.135 -3.741 4.462 1.00 0.00 C ATOM 308 C GLY A 20 3.863 -2.811 5.425 1.00 0.00 C ATOM 309 O GLY A 20 3.255 -2.112 6.215 1.00 0.00 O ATOM 0 H GLY A 20 1.362 -2.791 5.176 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.278 -4.778 4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.555 -3.642 3.461 1.00 0.00 H new ATOM 313 N LYS A 21 5.172 -2.798 5.361 1.00 0.00 N ATOM 314 CA LYS A 21 5.970 -1.921 6.269 1.00 0.00 C ATOM 315 C LYS A 21 6.613 -0.806 5.458 1.00 0.00 C ATOM 316 O LYS A 21 7.166 -1.033 4.400 1.00 0.00 O ATOM 317 CB LYS A 21 7.050 -2.758 6.958 1.00 0.00 C ATOM 318 CG LYS A 21 8.018 -3.318 5.913 1.00 0.00 C ATOM 319 CD LYS A 21 8.946 -4.347 6.568 1.00 0.00 C ATOM 320 CE LYS A 21 9.907 -3.648 7.536 1.00 0.00 C ATOM 321 NZ LYS A 21 11.016 -4.577 7.891 1.00 0.00 N ATOM 0 H LYS A 21 5.724 -3.361 4.714 1.00 0.00 H new ATOM 0 HA LYS A 21 5.320 -1.482 7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.593 -2.146 7.679 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.590 -3.574 7.515 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.461 -3.782 5.099 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.605 -2.510 5.477 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.356 -5.092 7.103 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.511 -4.878 5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.308 -2.744 7.078 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.374 -3.340 8.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.669 -4.104 8.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.625 -5.427 8.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.530 -4.850 7.029 1.00 0.00 H new ATOM 335 N ILE A 22 6.522 0.405 5.947 1.00 0.00 N ATOM 336 CA ILE A 22 7.102 1.570 5.221 1.00 0.00 C ATOM 337 C ILE A 22 8.418 1.982 5.873 1.00 0.00 C ATOM 338 O ILE A 22 8.509 2.123 7.083 1.00 0.00 O ATOM 339 CB ILE A 22 6.126 2.743 5.276 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.809 2.332 4.612 1.00 0.00 C ATOM 341 CG2 ILE A 22 6.726 3.936 4.527 1.00 0.00 C ATOM 342 CD1 ILE A 22 3.759 3.426 4.818 1.00 0.00 C ATOM 0 H ILE A 22 6.065 0.636 6.829 1.00 0.00 H new ATOM 0 HA ILE A 22 7.283 1.290 4.183 1.00 0.00 H new ATOM 0 HB ILE A 22 5.941 3.022 6.313 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.966 2.162 3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.456 1.392 5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.032 4.775 4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.668 4.223 4.995 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.906 3.660 3.488 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.824 3.127 4.343 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.593 3.574 5.885 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.111 4.357 4.373 1.00 0.00 H new ATOM 354 N THR A 23 9.436 2.182 5.073 1.00 0.00 N ATOM 355 CA THR A 23 10.764 2.594 5.615 1.00 0.00 C ATOM 356 C THR A 23 11.418 3.609 4.677 1.00 0.00 C ATOM 357 O THR A 23 11.099 3.696 3.505 1.00 0.00 O ATOM 358 CB THR A 23 11.671 1.373 5.751 1.00 0.00 C ATOM 359 OG1 THR A 23 12.987 1.806 6.065 1.00 0.00 O ATOM 360 CG2 THR A 23 11.688 0.587 4.439 1.00 0.00 C ATOM 0 H THR A 23 9.402 2.076 4.059 1.00 0.00 H new ATOM 0 HA THR A 23 10.618 3.049 6.595 1.00 0.00 H new ATOM 0 HB THR A 23 11.295 0.727 6.545 1.00 0.00 H new ATOM 0 HG1 THR A 23 13.575 1.027 6.156 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.337 -0.282 4.544 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.677 0.258 4.199 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.062 1.224 3.638 1.00 0.00 H new ATOM 368 N GLY A 24 12.336 4.378 5.196 1.00 0.00 N ATOM 369 CA GLY A 24 13.031 5.400 4.362 1.00 0.00 C ATOM 370 C GLY A 24 12.172 6.667 4.286 1.00 0.00 C ATOM 371 O GLY A 24 11.862 7.156 3.217 1.00 0.00 O ATOM 0 H GLY A 24 12.637 4.342 6.170 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.005 5.634 4.791 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.209 5.008 3.361 1.00 0.00 H new ATOM 375 N ILE A 25 11.780 7.194 5.413 1.00 0.00 N ATOM 376 CA ILE A 25 10.934 8.421 5.408 1.00 0.00 C ATOM 377 C ILE A 25 11.807 9.646 5.140 1.00 0.00 C ATOM 378 O ILE A 25 12.775 9.900 5.831 1.00 0.00 O ATOM 379 CB ILE A 25 10.230 8.556 6.773 1.00 0.00 C ATOM 380 CG1 ILE A 25 9.012 7.626 6.814 1.00 0.00 C ATOM 381 CG2 ILE A 25 9.760 10.001 7.006 1.00 0.00 C ATOM 382 CD1 ILE A 25 9.429 6.209 6.425 1.00 0.00 C ATOM 0 H ILE A 25 12.009 6.828 6.337 1.00 0.00 H new ATOM 0 HA ILE A 25 10.182 8.348 4.622 1.00 0.00 H new ATOM 0 HB ILE A 25 10.941 8.285 7.554 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.577 7.625 7.813 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.243 7.989 6.132 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.266 10.071 7.975 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.620 10.671 6.987 1.00 0.00 H new ATOM 0 HG23 ILE A 25 9.060 10.287 6.221 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.559 5.552 6.456 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.843 6.215 5.417 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.182 5.846 7.124 1.00 0.00 H new ATOM 394 N HIS A 26 11.450 10.414 4.143 1.00 0.00 N ATOM 395 CA HIS A 26 12.221 11.645 3.801 1.00 0.00 C ATOM 396 C HIS A 26 11.265 12.834 3.749 1.00 0.00 C ATOM 397 O HIS A 26 10.277 12.827 3.039 1.00 0.00 O ATOM 398 CB HIS A 26 12.900 11.451 2.449 1.00 0.00 C ATOM 399 CG HIS A 26 14.005 10.444 2.607 1.00 0.00 C ATOM 400 ND1 HIS A 26 13.787 9.079 2.494 1.00 0.00 N ATOM 401 CD2 HIS A 26 15.339 10.588 2.889 1.00 0.00 C ATOM 402 CE1 HIS A 26 14.964 8.463 2.706 1.00 0.00 C ATOM 403 NE2 HIS A 26 15.943 9.337 2.952 1.00 0.00 N ATOM 0 H HIS A 26 10.644 10.237 3.543 1.00 0.00 H new ATOM 0 HA HIS A 26 12.984 11.834 4.556 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.178 11.107 1.709 1.00 0.00 H new ATOM 0 HB3 HIS A 26 13.300 12.398 2.087 1.00 0.00 H new ATOM 0 HD1 HIS A 26 12.897 8.625 2.288 1.00 0.00 H new ATOM 0 HD2 HIS A 26 15.844 11.531 3.039 1.00 0.00 H new ATOM 0 HE1 HIS A 26 15.100 7.392 2.680 1.00 0.00 H new ATOM 411 N LYS A 27 11.552 13.851 4.516 1.00 0.00 N ATOM 412 CA LYS A 27 10.668 15.046 4.548 1.00 0.00 C ATOM 413 C LYS A 27 11.008 15.979 3.390 1.00 0.00 C ATOM 414 O LYS A 27 12.147 16.352 3.184 1.00 0.00 O ATOM 415 CB LYS A 27 10.879 15.779 5.872 1.00 0.00 C ATOM 416 CG LYS A 27 9.929 16.974 5.960 1.00 0.00 C ATOM 417 CD LYS A 27 10.093 17.655 7.319 1.00 0.00 C ATOM 418 CE LYS A 27 9.129 18.838 7.416 1.00 0.00 C ATOM 419 NZ LYS A 27 9.273 19.489 8.748 1.00 0.00 N ATOM 0 H LYS A 27 12.368 13.903 5.126 1.00 0.00 H new ATOM 0 HA LYS A 27 9.628 14.733 4.455 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.702 15.100 6.706 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.912 16.118 5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.142 17.681 5.159 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.899 16.644 5.828 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.894 16.944 8.121 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.120 17.998 7.444 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.338 19.557 6.624 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.103 18.497 7.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.617 20.294 8.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.053 18.801 9.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.249 19.828 8.865 1.00 0.00 H new ATOM 433 N LYS A 28 10.017 16.365 2.632 1.00 0.00 N ATOM 434 CA LYS A 28 10.248 17.281 1.481 1.00 0.00 C ATOM 435 C LYS A 28 9.089 18.267 1.387 1.00 0.00 C ATOM 436 O LYS A 28 8.017 18.029 1.908 1.00 0.00 O ATOM 437 CB LYS A 28 10.331 16.472 0.191 1.00 0.00 C ATOM 438 CG LYS A 28 11.640 15.681 0.176 1.00 0.00 C ATOM 439 CD LYS A 28 11.695 14.789 -1.070 1.00 0.00 C ATOM 440 CE LYS A 28 12.034 15.627 -2.310 1.00 0.00 C ATOM 441 NZ LYS A 28 12.396 14.720 -3.434 1.00 0.00 N ATOM 0 H LYS A 28 9.046 16.080 2.764 1.00 0.00 H new ATOM 0 HA LYS A 28 11.183 17.823 1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.481 15.793 0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.284 17.136 -0.672 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.489 16.365 0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.716 15.070 1.075 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.444 14.009 -0.934 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.736 14.290 -1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.182 16.247 -2.588 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.861 16.302 -2.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.626 15.285 -4.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.221 14.147 -3.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.594 14.093 -3.647 1.00 0.00 H new ATOM 455 N GLU A 29 9.302 19.378 0.728 1.00 0.00 N ATOM 456 CA GLU A 29 8.225 20.405 0.584 1.00 0.00 C ATOM 457 C GLU A 29 7.865 20.569 -0.889 1.00 0.00 C ATOM 458 O GLU A 29 8.719 20.551 -1.755 1.00 0.00 O ATOM 459 CB GLU A 29 8.724 21.738 1.147 1.00 0.00 C ATOM 460 CG GLU A 29 8.785 21.651 2.674 1.00 0.00 C ATOM 461 CD GLU A 29 7.365 21.569 3.241 1.00 0.00 C ATOM 462 OE1 GLU A 29 6.431 21.760 2.478 1.00 0.00 O ATOM 463 OE2 GLU A 29 7.236 21.312 4.425 1.00 0.00 O ATOM 0 H GLU A 29 10.185 19.620 0.279 1.00 0.00 H new ATOM 0 HA GLU A 29 7.339 20.086 1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.710 21.969 0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.058 22.546 0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.359 20.775 2.976 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.299 22.523 3.078 1.00 0.00 H new ATOM 470 N TYR A 30 6.595 20.727 -1.181 1.00 0.00 N ATOM 471 CA TYR A 30 6.161 20.887 -2.598 1.00 0.00 C ATOM 472 C TYR A 30 5.107 21.993 -2.688 1.00 0.00 C ATOM 473 O TYR A 30 4.469 22.342 -1.713 1.00 0.00 O ATOM 474 CB TYR A 30 5.572 19.563 -3.101 1.00 0.00 C ATOM 475 CG TYR A 30 4.254 19.273 -2.410 1.00 0.00 C ATOM 476 CD1 TYR A 30 4.231 18.858 -1.072 1.00 0.00 C ATOM 477 CD2 TYR A 30 3.052 19.413 -3.118 1.00 0.00 C ATOM 478 CE1 TYR A 30 3.006 18.585 -0.445 1.00 0.00 C ATOM 479 CE2 TYR A 30 1.831 19.139 -2.492 1.00 0.00 C ATOM 480 CZ TYR A 30 1.807 18.725 -1.156 1.00 0.00 C ATOM 481 OH TYR A 30 0.601 18.454 -0.540 1.00 0.00 O ATOM 0 H TYR A 30 5.842 20.752 -0.494 1.00 0.00 H new ATOM 0 HA TYR A 30 7.017 21.158 -3.216 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.421 19.611 -4.179 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.274 18.751 -2.913 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.155 18.748 -0.524 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.069 19.733 -4.149 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.987 18.267 0.587 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.907 19.247 -3.040 1.00 0.00 H new ATOM 0 HH TYR A 30 0.434 17.489 -0.558 1.00 0.00 H new ATOM 491 N GLU A 31 4.932 22.554 -3.856 1.00 0.00 N ATOM 492 CA GLU A 31 3.934 23.651 -4.036 1.00 0.00 C ATOM 493 C GLU A 31 2.569 23.072 -4.415 1.00 0.00 C ATOM 494 O GLU A 31 2.319 22.718 -5.551 1.00 0.00 O ATOM 495 CB GLU A 31 4.430 24.589 -5.139 1.00 0.00 C ATOM 496 CG GLU A 31 5.606 25.408 -4.607 1.00 0.00 C ATOM 497 CD GLU A 31 6.200 26.258 -5.731 1.00 0.00 C ATOM 498 OE1 GLU A 31 5.680 26.196 -6.833 1.00 0.00 O ATOM 499 OE2 GLU A 31 7.166 26.957 -5.471 1.00 0.00 O ATOM 0 H GLU A 31 5.442 22.297 -4.701 1.00 0.00 H new ATOM 0 HA GLU A 31 3.824 24.202 -3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.737 24.013 -6.012 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.625 25.251 -5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.274 26.050 -3.791 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.368 24.744 -4.200 1.00 0.00 H new ATOM 506 N SER A 32 1.681 22.979 -3.459 1.00 0.00 N ATOM 507 CA SER A 32 0.324 22.427 -3.731 1.00 0.00 C ATOM 508 C SER A 32 -0.580 23.516 -4.308 1.00 0.00 C ATOM 509 O SER A 32 -0.124 24.431 -4.962 1.00 0.00 O ATOM 510 CB SER A 32 -0.285 21.921 -2.428 1.00 0.00 C ATOM 511 OG SER A 32 -1.446 21.155 -2.718 1.00 0.00 O ATOM 0 H SER A 32 1.842 23.265 -2.493 1.00 0.00 H new ATOM 0 HA SER A 32 0.411 21.611 -4.448 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.440 21.313 -1.887 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.542 22.761 -1.783 1.00 0.00 H new ATOM 0 HG SER A 32 -1.839 20.827 -1.882 1.00 0.00 H new ATOM 517 N ASP A 33 -1.864 23.411 -4.070 1.00 0.00 N ATOM 518 CA ASP A 33 -2.822 24.423 -4.609 1.00 0.00 C ATOM 519 C ASP A 33 -2.416 25.830 -4.157 1.00 0.00 C ATOM 520 O ASP A 33 -2.998 26.407 -3.255 1.00 0.00 O ATOM 521 CB ASP A 33 -4.229 24.094 -4.104 1.00 0.00 C ATOM 522 CG ASP A 33 -5.243 25.035 -4.757 1.00 0.00 C ATOM 523 OD1 ASP A 33 -4.865 25.728 -5.687 1.00 0.00 O ATOM 524 OD2 ASP A 33 -6.380 25.046 -4.316 1.00 0.00 O ATOM 0 H ASP A 33 -2.291 22.664 -3.523 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.807 24.394 -5.699 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.477 23.058 -4.337 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.270 24.195 -3.019 1.00 0.00 H new ATOM 529 N GLY A 34 -1.417 26.383 -4.790 1.00 0.00 N ATOM 530 CA GLY A 34 -0.947 27.747 -4.430 1.00 0.00 C ATOM 531 C GLY A 34 -0.539 27.765 -2.961 1.00 0.00 C ATOM 532 O GLY A 34 -0.528 28.799 -2.322 1.00 0.00 O ATOM 0 H GLY A 34 -0.902 25.940 -5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.103 28.031 -5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.737 28.476 -4.609 1.00 0.00 H new ATOM 536 N THR A 35 -0.205 26.626 -2.414 1.00 0.00 N ATOM 537 CA THR A 35 0.200 26.582 -0.977 1.00 0.00 C ATOM 538 C THR A 35 1.273 25.514 -0.777 1.00 0.00 C ATOM 539 O THR A 35 1.156 24.403 -1.256 1.00 0.00 O ATOM 540 CB THR A 35 -1.019 26.261 -0.112 1.00 0.00 C ATOM 541 OG1 THR A 35 -1.962 27.319 -0.220 1.00 0.00 O ATOM 542 CG2 THR A 35 -0.585 26.112 1.346 1.00 0.00 C ATOM 0 H THR A 35 -0.195 25.728 -2.897 1.00 0.00 H new ATOM 0 HA THR A 35 0.603 27.552 -0.685 1.00 0.00 H new ATOM 0 HB THR A 35 -1.473 25.330 -0.451 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.746 27.116 0.332 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.454 25.883 1.963 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.142 25.304 1.429 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.132 27.043 1.688 1.00 0.00 H new ATOM 550 N THR A 36 2.322 25.842 -0.074 1.00 0.00 N ATOM 551 CA THR A 36 3.407 24.849 0.156 1.00 0.00 C ATOM 552 C THR A 36 3.004 23.892 1.278 1.00 0.00 C ATOM 553 O THR A 36 2.577 24.309 2.338 1.00 0.00 O ATOM 554 CB THR A 36 4.692 25.581 0.539 1.00 0.00 C ATOM 555 OG1 THR A 36 4.974 26.571 -0.440 1.00 0.00 O ATOM 556 CG2 THR A 36 5.848 24.583 0.608 1.00 0.00 C ATOM 0 H THR A 36 2.474 26.757 0.351 1.00 0.00 H new ATOM 0 HA THR A 36 3.573 24.277 -0.757 1.00 0.00 H new ATOM 0 HB THR A 36 4.568 26.055 1.513 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.797 27.045 -0.198 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.764 25.106 0.881 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.628 23.822 1.357 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.977 24.108 -0.365 1.00 0.00 H new ATOM 564 N LYS A 37 3.136 22.605 1.051 1.00 0.00 N ATOM 565 CA LYS A 37 2.759 21.602 2.096 1.00 0.00 C ATOM 566 C LYS A 37 3.860 20.548 2.236 1.00 0.00 C ATOM 567 O LYS A 37 4.554 20.216 1.293 1.00 0.00 O ATOM 568 CB LYS A 37 1.447 20.930 1.696 1.00 0.00 C ATOM 569 CG LYS A 37 0.312 21.953 1.780 1.00 0.00 C ATOM 570 CD LYS A 37 -1.006 21.290 1.380 1.00 0.00 C ATOM 571 CE LYS A 37 -2.128 22.331 1.392 1.00 0.00 C ATOM 572 NZ LYS A 37 -2.356 22.801 2.788 1.00 0.00 N ATOM 0 H LYS A 37 3.491 22.206 0.182 1.00 0.00 H new ATOM 0 HA LYS A 37 2.635 22.107 3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.521 20.534 0.683 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.241 20.086 2.354 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.239 22.348 2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.520 22.797 1.123 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.916 20.849 0.387 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.241 20.479 2.069 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.864 23.173 0.752 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.044 21.899 0.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.273 23.289 2.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.357 21.985 3.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.597 23.458 3.062 1.00 0.00 H new ATOM 586 N SER A 38 4.029 20.032 3.425 1.00 0.00 N ATOM 587 CA SER A 38 5.083 19.008 3.669 1.00 0.00 C ATOM 588 C SER A 38 4.633 17.642 3.149 1.00 0.00 C ATOM 589 O SER A 38 3.471 17.286 3.218 1.00 0.00 O ATOM 590 CB SER A 38 5.344 18.912 5.170 1.00 0.00 C ATOM 591 OG SER A 38 6.253 17.851 5.424 1.00 0.00 O ATOM 0 H SER A 38 3.475 20.280 4.245 1.00 0.00 H new ATOM 0 HA SER A 38 5.992 19.302 3.144 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.753 19.852 5.540 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.409 18.740 5.703 1.00 0.00 H new ATOM 0 HG SER A 38 6.300 17.685 6.389 1.00 0.00 H new ATOM 597 N VAL A 39 5.555 16.865 2.638 1.00 0.00 N ATOM 598 CA VAL A 39 5.208 15.510 2.120 1.00 0.00 C ATOM 599 C VAL A 39 6.312 14.519 2.496 1.00 0.00 C ATOM 600 O VAL A 39 7.487 14.821 2.412 1.00 0.00 O ATOM 601 CB VAL A 39 5.050 15.578 0.597 1.00 0.00 C ATOM 602 CG1 VAL A 39 6.417 15.753 -0.071 1.00 0.00 C ATOM 603 CG2 VAL A 39 4.407 14.282 0.102 1.00 0.00 C ATOM 0 H VAL A 39 6.541 17.115 2.558 1.00 0.00 H new ATOM 0 HA VAL A 39 4.270 15.173 2.562 1.00 0.00 H new ATOM 0 HB VAL A 39 4.420 16.430 0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.290 15.800 -1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.878 16.676 0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.057 14.908 0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.292 14.324 -0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.042 13.437 0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.429 14.161 0.567 1.00 0.00 H new ATOM 613 N TYR A 40 5.938 13.334 2.920 1.00 0.00 N ATOM 614 CA TYR A 40 6.952 12.308 3.312 1.00 0.00 C ATOM 615 C TYR A 40 7.020 11.229 2.234 1.00 0.00 C ATOM 616 O TYR A 40 6.009 10.718 1.792 1.00 0.00 O ATOM 617 CB TYR A 40 6.538 11.669 4.638 1.00 0.00 C ATOM 618 CG TYR A 40 6.441 12.745 5.691 1.00 0.00 C ATOM 619 CD1 TYR A 40 7.575 13.100 6.431 1.00 0.00 C ATOM 620 CD2 TYR A 40 5.221 13.393 5.924 1.00 0.00 C ATOM 621 CE1 TYR A 40 7.489 14.101 7.405 1.00 0.00 C ATOM 622 CE2 TYR A 40 5.136 14.394 6.899 1.00 0.00 C ATOM 623 CZ TYR A 40 6.270 14.748 7.638 1.00 0.00 C ATOM 624 OH TYR A 40 6.186 15.733 8.601 1.00 0.00 O ATOM 0 H TYR A 40 4.967 13.034 3.011 1.00 0.00 H new ATOM 0 HA TYR A 40 7.928 12.781 3.421 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.580 11.161 4.529 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.266 10.915 4.936 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.516 12.602 6.250 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.347 13.120 5.352 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.363 14.374 7.977 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.195 14.893 7.081 1.00 0.00 H new ATOM 0 HH TYR A 40 5.270 16.080 8.635 1.00 0.00 H new ATOM 634 N GLN A 41 8.209 10.879 1.808 1.00 0.00 N ATOM 635 CA GLN A 41 8.369 9.831 0.751 1.00 0.00 C ATOM 636 C GLN A 41 9.156 8.653 1.311 1.00 0.00 C ATOM 637 O GLN A 41 9.940 8.796 2.227 1.00 0.00 O ATOM 638 CB GLN A 41 9.124 10.422 -0.438 1.00 0.00 C ATOM 639 CG GLN A 41 8.231 11.446 -1.137 1.00 0.00 C ATOM 640 CD GLN A 41 8.985 12.079 -2.306 1.00 0.00 C ATOM 641 OE1 GLN A 41 10.185 12.267 -2.241 1.00 0.00 O ATOM 642 NE2 GLN A 41 8.327 12.422 -3.378 1.00 0.00 N ATOM 0 H GLN A 41 9.083 11.278 2.150 1.00 0.00 H new ATOM 0 HA GLN A 41 7.385 9.490 0.430 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.046 10.895 -0.101 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.407 9.632 -1.134 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.322 10.964 -1.497 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.924 12.217 -0.430 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.321 12.264 -3.431 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.818 12.849 -4.163 1.00 0.00 H new ATOM 651 N GLY A 42 8.949 7.484 0.768 1.00 0.00 N ATOM 652 CA GLY A 42 9.685 6.294 1.272 1.00 0.00 C ATOM 653 C GLY A 42 9.359 5.074 0.412 1.00 0.00 C ATOM 654 O GLY A 42 8.961 5.193 -0.733 1.00 0.00 O ATOM 0 H GLY A 42 8.303 7.304 -0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.758 6.485 1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.413 6.101 2.310 1.00 0.00 H new ATOM 658 N TYR A 43 9.533 3.897 0.956 1.00 0.00 N ATOM 659 CA TYR A 43 9.246 2.648 0.191 1.00 0.00 C ATOM 660 C TYR A 43 8.484 1.670 1.075 1.00 0.00 C ATOM 661 O TYR A 43 8.694 1.606 2.272 1.00 0.00 O ATOM 662 CB TYR A 43 10.562 2.006 -0.243 1.00 0.00 C ATOM 663 CG TYR A 43 11.239 2.887 -1.260 1.00 0.00 C ATOM 664 CD1 TYR A 43 12.034 3.960 -0.842 1.00 0.00 C ATOM 665 CD2 TYR A 43 11.071 2.628 -2.625 1.00 0.00 C ATOM 666 CE1 TYR A 43 12.662 4.776 -1.792 1.00 0.00 C ATOM 667 CE2 TYR A 43 11.698 3.442 -3.574 1.00 0.00 C ATOM 668 CZ TYR A 43 12.494 4.516 -3.157 1.00 0.00 C ATOM 669 OH TYR A 43 13.113 5.318 -4.093 1.00 0.00 O ATOM 0 H TYR A 43 9.866 3.747 1.909 1.00 0.00 H new ATOM 0 HA TYR A 43 8.646 2.893 -0.686 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.212 1.864 0.621 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.375 1.020 -0.667 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.163 4.159 0.212 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.457 1.799 -2.946 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.275 5.605 -1.471 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.568 3.242 -4.627 1.00 0.00 H new ATOM 0 HH TYR A 43 12.893 4.999 -4.993 1.00 0.00 H new ATOM 679 N ILE A 44 7.608 0.893 0.489 1.00 0.00 N ATOM 680 CA ILE A 44 6.824 -0.104 1.273 1.00 0.00 C ATOM 681 C ILE A 44 7.082 -1.491 0.699 1.00 0.00 C ATOM 682 O ILE A 44 7.234 -1.651 -0.494 1.00 0.00 O ATOM 683 CB ILE A 44 5.329 0.228 1.184 1.00 0.00 C ATOM 684 CG1 ILE A 44 4.559 -0.618 2.205 1.00 0.00 C ATOM 685 CG2 ILE A 44 4.800 -0.065 -0.227 1.00 0.00 C ATOM 686 CD1 ILE A 44 3.126 -0.100 2.321 1.00 0.00 C ATOM 0 H ILE A 44 7.402 0.909 -0.510 1.00 0.00 H new ATOM 0 HA ILE A 44 7.128 -0.076 2.319 1.00 0.00 H new ATOM 0 HB ILE A 44 5.188 1.287 1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.555 -1.664 1.897 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.053 -0.573 3.176 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.738 0.175 -0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.342 0.542 -0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.944 -1.121 -0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.579 -0.702 3.047 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.140 0.939 2.649 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.635 -0.168 1.350 1.00 0.00 H new ATOM 698 N GLU A 45 7.149 -2.493 1.542 1.00 0.00 N ATOM 699 CA GLU A 45 7.411 -3.881 1.049 1.00 0.00 C ATOM 700 C GLU A 45 6.441 -4.860 1.704 1.00 0.00 C ATOM 701 O GLU A 45 5.962 -4.646 2.808 1.00 0.00 O ATOM 702 CB GLU A 45 8.847 -4.284 1.392 1.00 0.00 C ATOM 703 CG GLU A 45 9.128 -5.688 0.844 1.00 0.00 C ATOM 704 CD GLU A 45 10.590 -6.059 1.092 1.00 0.00 C ATOM 705 OE1 GLU A 45 11.361 -5.171 1.417 1.00 0.00 O ATOM 706 OE2 GLU A 45 10.914 -7.227 0.954 1.00 0.00 O ATOM 0 H GLU A 45 7.033 -2.409 2.552 1.00 0.00 H new ATOM 0 HA GLU A 45 7.271 -3.906 -0.032 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.549 -3.568 0.965 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.993 -4.268 2.472 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.473 -6.414 1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.911 -5.722 -0.224 1.00 0.00 H new ATOM 713 N ASP A 46 6.152 -5.944 1.025 1.00 0.00 N ATOM 714 CA ASP A 46 5.218 -6.967 1.578 1.00 0.00 C ATOM 715 C ASP A 46 5.629 -8.360 1.090 1.00 0.00 C ATOM 716 O ASP A 46 6.765 -8.599 0.728 1.00 0.00 O ATOM 717 CB ASP A 46 3.792 -6.662 1.107 1.00 0.00 C ATOM 718 CG ASP A 46 3.726 -6.707 -0.422 1.00 0.00 C ATOM 719 OD1 ASP A 46 4.692 -7.142 -1.026 1.00 0.00 O ATOM 720 OD2 ASP A 46 2.707 -6.308 -0.961 1.00 0.00 O ATOM 0 H ASP A 46 6.529 -6.163 0.103 1.00 0.00 H new ATOM 0 HA ASP A 46 5.257 -6.940 2.667 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.097 -7.387 1.531 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.484 -5.679 1.464 1.00 0.00 H new ATOM 725 N ASP A 47 4.705 -9.283 1.085 1.00 0.00 N ATOM 726 CA ASP A 47 5.015 -10.668 0.630 1.00 0.00 C ATOM 727 C ASP A 47 5.002 -10.729 -0.901 1.00 0.00 C ATOM 728 O ASP A 47 5.350 -11.732 -1.495 1.00 0.00 O ATOM 729 CB ASP A 47 3.956 -11.618 1.190 1.00 0.00 C ATOM 730 CG ASP A 47 4.288 -13.059 0.801 1.00 0.00 C ATOM 731 OD1 ASP A 47 5.359 -13.519 1.162 1.00 0.00 O ATOM 732 OD2 ASP A 47 3.464 -13.680 0.150 1.00 0.00 O ATOM 0 H ASP A 47 3.740 -9.134 1.380 1.00 0.00 H new ATOM 0 HA ASP A 47 6.003 -10.959 0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.911 -11.527 2.275 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.973 -11.346 0.806 1.00 0.00 H new ATOM 737 N THR A 48 4.600 -9.663 -1.545 1.00 0.00 N ATOM 738 CA THR A 48 4.558 -9.650 -3.041 1.00 0.00 C ATOM 739 C THR A 48 5.780 -8.908 -3.582 1.00 0.00 C ATOM 740 O THR A 48 6.661 -9.493 -4.182 1.00 0.00 O ATOM 741 CB THR A 48 3.290 -8.925 -3.501 1.00 0.00 C ATOM 742 OG1 THR A 48 3.320 -7.586 -3.030 1.00 0.00 O ATOM 743 CG2 THR A 48 2.054 -9.636 -2.945 1.00 0.00 C ATOM 0 H THR A 48 4.298 -8.797 -1.098 1.00 0.00 H new ATOM 0 HA THR A 48 4.559 -10.674 -3.413 1.00 0.00 H new ATOM 0 HB THR A 48 3.245 -8.931 -4.590 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.695 -7.488 -2.282 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.155 -9.115 -3.276 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.032 -10.664 -3.307 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.093 -9.636 -1.856 1.00 0.00 H new ATOM 751 N ALA A 49 5.842 -7.619 -3.377 1.00 0.00 N ATOM 752 CA ALA A 49 7.008 -6.840 -3.886 1.00 0.00 C ATOM 753 C ALA A 49 7.123 -5.518 -3.128 1.00 0.00 C ATOM 754 O ALA A 49 6.778 -5.424 -1.965 1.00 0.00 O ATOM 755 CB ALA A 49 6.816 -6.546 -5.372 1.00 0.00 C ATOM 0 H ALA A 49 5.138 -7.073 -2.880 1.00 0.00 H new ATOM 0 HA ALA A 49 7.916 -7.424 -3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.668 -5.977 -5.743 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.739 -7.484 -5.922 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.903 -5.967 -5.513 1.00 0.00 H new ATOM 761 N ARG A 50 7.609 -4.486 -3.777 1.00 0.00 N ATOM 762 CA ARG A 50 7.750 -3.167 -3.088 1.00 0.00 C ATOM 763 C ARG A 50 7.473 -2.022 -4.067 1.00 0.00 C ATOM 764 O ARG A 50 7.676 -2.144 -5.259 1.00 0.00 O ATOM 765 CB ARG A 50 9.171 -3.035 -2.527 1.00 0.00 C ATOM 766 CG ARG A 50 10.190 -2.947 -3.672 1.00 0.00 C ATOM 767 CD ARG A 50 11.605 -2.926 -3.089 1.00 0.00 C ATOM 768 NE ARG A 50 12.602 -2.811 -4.193 1.00 0.00 N ATOM 769 CZ ARG A 50 12.981 -1.636 -4.632 1.00 0.00 C ATOM 770 NH1 ARG A 50 12.483 -0.547 -4.113 1.00 0.00 N ATOM 771 NH2 ARG A 50 13.858 -1.555 -5.593 1.00 0.00 N ATOM 0 H ARG A 50 7.913 -4.502 -4.751 1.00 0.00 H new ATOM 0 HA ARG A 50 7.027 -3.113 -2.274 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.241 -2.146 -1.900 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.400 -3.891 -1.893 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.074 -3.797 -4.344 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.014 -2.048 -4.262 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.713 -2.088 -2.400 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.786 -3.835 -2.516 1.00 0.00 H new ATOM 0 HE ARG A 50 12.993 -3.656 -4.610 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.795 -0.608 -3.362 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.781 0.365 -4.458 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.247 -2.405 -6.001 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.155 -0.642 -5.937 1.00 0.00 H new ATOM 785 N ILE A 51 7.018 -0.900 -3.567 1.00 0.00 N ATOM 786 CA ILE A 51 6.737 0.264 -4.460 1.00 0.00 C ATOM 787 C ILE A 51 6.933 1.580 -3.694 1.00 0.00 C ATOM 788 O ILE A 51 6.707 1.661 -2.500 1.00 0.00 O ATOM 789 CB ILE A 51 5.304 0.178 -4.983 1.00 0.00 C ATOM 790 CG1 ILE A 51 5.037 1.364 -5.909 1.00 0.00 C ATOM 791 CG2 ILE A 51 4.321 0.211 -3.813 1.00 0.00 C ATOM 792 CD1 ILE A 51 3.715 1.147 -6.649 1.00 0.00 C ATOM 0 H ILE A 51 6.829 -0.741 -2.577 1.00 0.00 H new ATOM 0 HA ILE A 51 7.430 0.240 -5.301 1.00 0.00 H new ATOM 0 HB ILE A 51 5.173 -0.755 -5.531 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.995 2.288 -5.332 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.853 1.472 -6.624 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.301 0.149 -4.193 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.514 -0.634 -3.152 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.446 1.141 -3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.525 1.993 -7.309 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.774 0.232 -7.239 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.903 1.061 -5.926 1.00 0.00 H new ATOM 804 N ARG A 52 7.358 2.610 -4.381 1.00 0.00 N ATOM 805 CA ARG A 52 7.577 3.929 -3.720 1.00 0.00 C ATOM 806 C ARG A 52 6.231 4.592 -3.424 1.00 0.00 C ATOM 807 O ARG A 52 5.323 4.572 -4.234 1.00 0.00 O ATOM 808 CB ARG A 52 8.397 4.832 -4.646 1.00 0.00 C ATOM 809 CG ARG A 52 8.693 6.163 -3.944 1.00 0.00 C ATOM 810 CD ARG A 52 9.562 7.049 -4.846 1.00 0.00 C ATOM 811 NE ARG A 52 8.788 7.439 -6.058 1.00 0.00 N ATOM 812 CZ ARG A 52 9.337 8.179 -6.989 1.00 0.00 C ATOM 813 NH1 ARG A 52 10.570 8.588 -6.862 1.00 0.00 N ATOM 814 NH2 ARG A 52 8.647 8.512 -8.044 1.00 0.00 N ATOM 0 H ARG A 52 7.564 2.592 -5.380 1.00 0.00 H new ATOM 0 HA ARG A 52 8.115 3.777 -2.784 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.330 4.338 -4.918 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.850 5.012 -5.571 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.760 6.675 -3.708 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.204 5.980 -2.999 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.879 7.939 -4.302 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.466 6.514 -5.136 1.00 0.00 H new ATOM 0 HE ARG A 52 7.823 7.127 -6.164 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.110 8.332 -6.035 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.994 9.164 -7.589 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.682 8.196 -8.143 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.072 9.088 -8.770 1.00 0.00 H new ATOM 828 N ILE A 53 6.096 5.187 -2.262 1.00 0.00 N ATOM 829 CA ILE A 53 4.814 5.861 -1.895 1.00 0.00 C ATOM 830 C ILE A 53 5.098 7.240 -1.307 1.00 0.00 C ATOM 831 O ILE A 53 6.214 7.558 -0.925 1.00 0.00 O ATOM 832 CB ILE A 53 4.042 5.011 -0.874 1.00 0.00 C ATOM 833 CG1 ILE A 53 4.726 5.043 0.508 1.00 0.00 C ATOM 834 CG2 ILE A 53 3.963 3.564 -1.370 1.00 0.00 C ATOM 835 CD1 ILE A 53 6.205 4.660 0.398 1.00 0.00 C ATOM 0 H ILE A 53 6.824 5.234 -1.550 1.00 0.00 H new ATOM 0 HA ILE A 53 4.208 5.973 -2.794 1.00 0.00 H new ATOM 0 HB ILE A 53 3.040 5.427 -0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.636 6.040 0.939 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.218 4.356 1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.415 2.961 -0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.447 3.536 -2.330 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.970 3.164 -1.488 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.663 4.691 1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.291 3.653 -0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.715 5.363 -0.260 1.00 0.00 H new ATOM 847 N SER A 54 4.089 8.068 -1.229 1.00 0.00 N ATOM 848 CA SER A 54 4.268 9.434 -0.665 1.00 0.00 C ATOM 849 C SER A 54 3.036 9.806 0.157 1.00 0.00 C ATOM 850 O SER A 54 1.916 9.509 -0.215 1.00 0.00 O ATOM 851 CB SER A 54 4.443 10.434 -1.803 1.00 0.00 C ATOM 852 OG SER A 54 4.607 11.737 -1.262 1.00 0.00 O ATOM 0 H SER A 54 3.141 7.852 -1.536 1.00 0.00 H new ATOM 0 HA SER A 54 5.151 9.454 -0.027 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.310 10.167 -2.407 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.575 10.408 -2.462 1.00 0.00 H new ATOM 0 HG SER A 54 4.721 12.382 -1.991 1.00 0.00 H new ATOM 858 N SER A 55 3.240 10.458 1.277 1.00 0.00 N ATOM 859 CA SER A 55 2.098 10.867 2.152 1.00 0.00 C ATOM 860 C SER A 55 2.021 12.391 2.211 1.00 0.00 C ATOM 861 O SER A 55 3.005 13.068 2.445 1.00 0.00 O ATOM 862 CB SER A 55 2.317 10.304 3.554 1.00 0.00 C ATOM 863 OG SER A 55 1.391 10.899 4.451 1.00 0.00 O ATOM 0 H SER A 55 4.160 10.727 1.625 1.00 0.00 H new ATOM 0 HA SER A 55 1.164 10.479 1.746 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.189 9.222 3.547 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.337 10.503 3.882 1.00 0.00 H new ATOM 0 HG SER A 55 1.785 11.708 4.840 1.00 0.00 H new ATOM 869 N PHE A 56 0.854 12.936 1.975 1.00 0.00 N ATOM 870 CA PHE A 56 0.690 14.420 1.986 1.00 0.00 C ATOM 871 C PHE A 56 0.145 14.897 3.333 1.00 0.00 C ATOM 872 O PHE A 56 -0.945 14.544 3.740 1.00 0.00 O ATOM 873 CB PHE A 56 -0.286 14.809 0.876 1.00 0.00 C ATOM 874 CG PHE A 56 0.394 14.642 -0.465 1.00 0.00 C ATOM 875 CD1 PHE A 56 1.414 15.523 -0.838 1.00 0.00 C ATOM 876 CD2 PHE A 56 0.011 13.606 -1.328 1.00 0.00 C ATOM 877 CE1 PHE A 56 2.052 15.372 -2.074 1.00 0.00 C ATOM 878 CE2 PHE A 56 0.650 13.455 -2.564 1.00 0.00 C ATOM 879 CZ PHE A 56 1.670 14.338 -2.938 1.00 0.00 C ATOM 0 H PHE A 56 0.002 12.412 1.774 1.00 0.00 H new ATOM 0 HA PHE A 56 1.661 14.889 1.825 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.178 14.185 0.925 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.611 15.841 1.006 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.709 16.320 -0.172 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.776 12.925 -1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.839 16.053 -2.362 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.356 12.657 -3.230 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.162 14.222 -3.892 1.00 0.00 H new ATOM 889 N GLY A 57 0.895 15.724 4.013 1.00 0.00 N ATOM 890 CA GLY A 57 0.434 16.264 5.325 1.00 0.00 C ATOM 891 C GLY A 57 0.541 15.195 6.414 1.00 0.00 C ATOM 892 O GLY A 57 1.020 15.449 7.502 1.00 0.00 O ATOM 0 H GLY A 57 1.814 16.050 3.713 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.035 17.131 5.599 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.598 16.604 5.242 1.00 0.00 H new ATOM 896 N LYS A 58 0.078 14.009 6.139 1.00 0.00 N ATOM 897 CA LYS A 58 0.127 12.931 7.165 1.00 0.00 C ATOM 898 C LYS A 58 1.558 12.419 7.340 1.00 0.00 C ATOM 899 O LYS A 58 2.269 12.174 6.384 1.00 0.00 O ATOM 900 CB LYS A 58 -0.774 11.785 6.717 1.00 0.00 C ATOM 901 CG LYS A 58 -2.228 12.266 6.710 1.00 0.00 C ATOM 902 CD LYS A 58 -3.142 11.174 6.133 1.00 0.00 C ATOM 903 CE LYS A 58 -3.441 10.118 7.200 1.00 0.00 C ATOM 904 NZ LYS A 58 -4.461 9.162 6.681 1.00 0.00 N ATOM 0 H LYS A 58 -0.333 13.739 5.246 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.216 13.329 8.120 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.485 11.446 5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.662 10.934 7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.542 12.516 7.724 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.316 13.176 6.116 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.073 11.618 5.779 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.664 10.707 5.272 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.528 9.584 7.465 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.805 10.597 8.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.665 8.444 7.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.334 9.678 6.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.097 8.696 5.825 1.00 0.00 H new ATOM 918 N GLN A 59 1.982 12.255 8.567 1.00 0.00 N ATOM 919 CA GLN A 59 3.361 11.756 8.834 1.00 0.00 C ATOM 920 C GLN A 59 3.354 10.232 8.954 1.00 0.00 C ATOM 921 O GLN A 59 2.363 9.627 9.316 1.00 0.00 O ATOM 922 CB GLN A 59 3.879 12.363 10.137 1.00 0.00 C ATOM 923 CG GLN A 59 5.290 11.839 10.414 1.00 0.00 C ATOM 924 CD GLN A 59 5.888 12.575 11.611 1.00 0.00 C ATOM 925 OE1 GLN A 59 5.409 13.623 11.999 1.00 0.00 O ATOM 926 NE2 GLN A 59 6.925 12.066 12.217 1.00 0.00 N ATOM 0 H GLN A 59 1.426 12.447 9.400 1.00 0.00 H new ATOM 0 HA GLN A 59 4.010 12.047 8.008 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.890 13.451 10.066 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.214 12.104 10.961 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.258 10.768 10.613 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.920 11.981 9.536 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.326 11.187 11.890 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.335 12.547 13.017 1.00 0.00 H new ATOM 935 N LEU A 60 4.468 9.612 8.655 1.00 0.00 N ATOM 936 CA LEU A 60 4.567 8.123 8.741 1.00 0.00 C ATOM 937 C LEU A 60 5.845 7.736 9.475 1.00 0.00 C ATOM 938 O LEU A 60 6.788 8.501 9.555 1.00 0.00 O ATOM 939 CB LEU A 60 4.595 7.536 7.335 1.00 0.00 C ATOM 940 CG LEU A 60 3.250 7.795 6.644 1.00 0.00 C ATOM 941 CD1 LEU A 60 3.339 7.347 5.182 1.00 0.00 C ATOM 942 CD2 LEU A 60 2.122 7.025 7.363 1.00 0.00 C ATOM 0 H LEU A 60 5.322 10.080 8.352 1.00 0.00 H new ATOM 0 HA LEU A 60 3.706 7.734 9.284 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.404 7.984 6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.792 6.465 7.381 1.00 0.00 H new ATOM 0 HG LEU A 60 3.024 8.860 6.686 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.385 7.529 4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.124 7.910 4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.572 6.283 5.141 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.173 7.218 6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.336 5.957 7.336 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.059 7.356 8.400 1.00 0.00 H new ATOM 954 N GLN A 61 5.876 6.549 10.024 1.00 0.00 N ATOM 955 CA GLN A 61 7.078 6.087 10.776 1.00 0.00 C ATOM 956 C GLN A 61 7.891 5.110 9.931 1.00 0.00 C ATOM 957 O GLN A 61 7.398 4.492 9.006 1.00 0.00 O ATOM 958 CB GLN A 61 6.627 5.395 12.062 1.00 0.00 C ATOM 959 CG GLN A 61 6.172 6.443 13.079 1.00 0.00 C ATOM 960 CD GLN A 61 7.384 7.229 13.588 1.00 0.00 C ATOM 961 OE1 GLN A 61 7.808 8.188 12.973 1.00 0.00 O ATOM 962 NE2 GLN A 61 7.964 6.863 14.698 1.00 0.00 N ATOM 0 H GLN A 61 5.112 5.875 9.982 1.00 0.00 H new ATOM 0 HA GLN A 61 7.703 6.948 11.014 1.00 0.00 H new ATOM 0 HB2 GLN A 61 5.812 4.704 11.848 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.445 4.805 12.475 1.00 0.00 H new ATOM 0 HG2 GLN A 61 5.453 7.122 12.620 1.00 0.00 H new ATOM 0 HG3 GLN A 61 5.665 5.958 13.913 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.611 6.059 15.217 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.770 7.381 15.047 1.00 0.00 H new ATOM 971 N ASP A 62 9.151 4.990 10.245 1.00 0.00 N ATOM 972 CA ASP A 62 10.047 4.087 9.479 1.00 0.00 C ATOM 973 C ASP A 62 9.818 2.621 9.860 1.00 0.00 C ATOM 974 O ASP A 62 9.449 2.301 10.974 1.00 0.00 O ATOM 975 CB ASP A 62 11.501 4.470 9.762 1.00 0.00 C ATOM 976 CG ASP A 62 11.779 4.379 11.265 1.00 0.00 C ATOM 977 OD1 ASP A 62 10.941 3.845 11.973 1.00 0.00 O ATOM 978 OD2 ASP A 62 12.825 4.847 11.681 1.00 0.00 O ATOM 0 H ASP A 62 9.602 5.488 11.012 1.00 0.00 H new ATOM 0 HA ASP A 62 9.826 4.197 8.417 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.174 3.807 9.218 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.695 5.482 9.408 1.00 0.00 H new ATOM 983 N SER A 63 10.051 1.732 8.921 1.00 0.00 N ATOM 984 CA SER A 63 9.873 0.269 9.167 1.00 0.00 C ATOM 985 C SER A 63 8.635 0.029 10.033 1.00 0.00 C ATOM 986 O SER A 63 8.615 -0.846 10.880 1.00 0.00 O ATOM 987 CB SER A 63 11.120 -0.286 9.863 1.00 0.00 C ATOM 988 OG SER A 63 11.554 0.633 10.858 1.00 0.00 O ATOM 0 H SER A 63 10.363 1.967 7.979 1.00 0.00 H new ATOM 0 HA SER A 63 9.735 -0.243 8.215 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.897 -1.252 10.317 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.913 -0.452 9.134 1.00 0.00 H new ATOM 0 HG SER A 63 10.774 1.046 11.285 1.00 0.00 H new ATOM 994 N ASP A 64 7.602 0.804 9.827 1.00 0.00 N ATOM 995 CA ASP A 64 6.354 0.633 10.638 1.00 0.00 C ATOM 996 C ASP A 64 5.318 -0.177 9.856 1.00 0.00 C ATOM 997 O ASP A 64 5.018 0.113 8.713 1.00 0.00 O ATOM 998 CB ASP A 64 5.778 2.004 11.000 1.00 0.00 C ATOM 999 CG ASP A 64 5.453 2.798 9.732 1.00 0.00 C ATOM 1000 OD1 ASP A 64 5.827 2.349 8.662 1.00 0.00 O ATOM 1001 OD2 ASP A 64 4.841 3.845 9.858 1.00 0.00 O ATOM 0 H ASP A 64 7.566 1.550 9.132 1.00 0.00 H new ATOM 0 HA ASP A 64 6.601 0.094 11.553 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.877 1.880 11.600 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.493 2.557 11.609 1.00 0.00 H new ATOM 1006 N VAL A 65 4.768 -1.192 10.473 1.00 0.00 N ATOM 1007 CA VAL A 65 3.747 -2.028 9.783 1.00 0.00 C ATOM 1008 C VAL A 65 2.403 -1.305 9.812 1.00 0.00 C ATOM 1009 O VAL A 65 1.808 -1.116 10.858 1.00 0.00 O ATOM 1010 CB VAL A 65 3.625 -3.373 10.499 1.00 0.00 C ATOM 1011 CG1 VAL A 65 2.832 -4.347 9.626 1.00 0.00 C ATOM 1012 CG2 VAL A 65 5.024 -3.944 10.754 1.00 0.00 C ATOM 0 H VAL A 65 4.985 -1.476 11.428 1.00 0.00 H new ATOM 0 HA VAL A 65 4.046 -2.197 8.748 1.00 0.00 H new ATOM 0 HB VAL A 65 3.109 -3.232 11.449 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.745 -5.306 10.137 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.837 -3.943 9.442 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.348 -4.487 8.676 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.938 -4.903 11.265 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.539 -4.084 9.803 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.592 -3.252 11.376 1.00 0.00 H new ATOM 1022 N VAL A 66 1.922 -0.888 8.668 1.00 0.00 N ATOM 1023 CA VAL A 66 0.620 -0.162 8.616 1.00 0.00 C ATOM 1024 C VAL A 66 -0.184 -0.611 7.399 1.00 0.00 C ATOM 1025 O VAL A 66 0.336 -1.229 6.481 1.00 0.00 O ATOM 1026 CB VAL A 66 0.873 1.346 8.530 1.00 0.00 C ATOM 1027 CG1 VAL A 66 1.620 1.811 9.783 1.00 0.00 C ATOM 1028 CG2 VAL A 66 1.709 1.663 7.284 1.00 0.00 C ATOM 0 H VAL A 66 2.378 -1.020 7.765 1.00 0.00 H new ATOM 0 HA VAL A 66 0.055 -0.387 9.521 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.082 1.868 8.462 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.800 2.884 9.722 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.019 1.594 10.666 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.573 1.287 9.854 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.886 2.737 7.228 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.664 1.141 7.344 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.172 1.337 6.393 1.00 0.00 H new ATOM 1038 N ARG A 67 -1.456 -0.297 7.389 1.00 0.00 N ATOM 1039 CA ARG A 67 -2.335 -0.677 6.247 1.00 0.00 C ATOM 1040 C ARG A 67 -2.897 0.596 5.616 1.00 0.00 C ATOM 1041 O ARG A 67 -3.419 1.461 6.297 1.00 0.00 O ATOM 1042 CB ARG A 67 -3.486 -1.549 6.748 1.00 0.00 C ATOM 1043 CG ARG A 67 -4.285 -2.070 5.550 1.00 0.00 C ATOM 1044 CD ARG A 67 -5.540 -2.796 6.037 1.00 0.00 C ATOM 1045 NE ARG A 67 -5.161 -3.959 6.889 1.00 0.00 N ATOM 1046 CZ ARG A 67 -4.880 -5.117 6.352 1.00 0.00 C ATOM 1047 NH1 ARG A 67 -4.907 -5.266 5.055 1.00 0.00 N ATOM 1048 NH2 ARG A 67 -4.572 -6.126 7.118 1.00 0.00 N ATOM 0 H ARG A 67 -1.926 0.214 8.136 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.760 -1.237 5.510 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.098 -2.384 7.331 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.133 -0.972 7.409 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.563 -1.241 4.899 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.669 -2.747 4.958 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.170 -2.110 6.604 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.127 -3.136 5.184 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.121 -3.850 7.902 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -5.148 -4.477 4.456 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.687 -6.172 4.641 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.551 -6.009 8.131 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.352 -7.032 6.704 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.792 0.717 4.319 1.00 0.00 N ATOM 1063 CA ILE A 68 -3.307 1.931 3.623 1.00 0.00 C ATOM 1064 C ILE A 68 -4.596 1.578 2.887 1.00 0.00 C ATOM 1065 O ILE A 68 -4.634 0.668 2.081 1.00 0.00 O ATOM 1066 CB ILE A 68 -2.259 2.407 2.618 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -0.943 2.666 3.356 1.00 0.00 C ATOM 1068 CG2 ILE A 68 -2.731 3.705 1.956 1.00 0.00 C ATOM 1069 CD1 ILE A 68 0.168 2.962 2.348 1.00 0.00 C ATOM 0 H ILE A 68 -2.367 0.020 3.707 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.507 2.721 4.347 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.114 1.644 1.853 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.059 3.506 4.040 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.677 1.798 3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.981 4.042 1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.674 3.527 1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.874 4.471 2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.102 3.145 2.879 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.291 2.108 1.681 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.096 3.843 1.764 1.00 0.00 H new ATOM 1081 N ASP A 69 -5.654 2.302 3.163 1.00 0.00 N ATOM 1082 CA ASP A 69 -6.965 2.039 2.498 1.00 0.00 C ATOM 1083 C ASP A 69 -7.348 3.232 1.624 1.00 0.00 C ATOM 1084 O ASP A 69 -7.117 4.378 1.974 1.00 0.00 O ATOM 1085 CB ASP A 69 -8.039 1.823 3.564 1.00 0.00 C ATOM 1086 CG ASP A 69 -7.810 0.474 4.247 1.00 0.00 C ATOM 1087 OD1 ASP A 69 -7.036 -0.311 3.722 1.00 0.00 O ATOM 1088 OD2 ASP A 69 -8.410 0.247 5.285 1.00 0.00 O ATOM 0 H ASP A 69 -5.663 3.074 3.830 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.883 1.148 1.875 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.004 2.627 4.300 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.029 1.850 3.109 1.00 0.00 H new ATOM 1093 N ASN A 70 -7.936 2.956 0.488 1.00 0.00 N ATOM 1094 CA ASN A 70 -8.347 4.038 -0.451 1.00 0.00 C ATOM 1095 C ASN A 70 -7.101 4.774 -0.952 1.00 0.00 C ATOM 1096 O ASN A 70 -7.087 5.982 -1.091 1.00 0.00 O ATOM 1097 CB ASN A 70 -9.292 5.015 0.259 1.00 0.00 C ATOM 1098 CG ASN A 70 -10.035 5.853 -0.783 1.00 0.00 C ATOM 1099 OD1 ASN A 70 -10.343 5.375 -1.855 1.00 0.00 O ATOM 1100 ND2 ASN A 70 -10.340 7.090 -0.508 1.00 0.00 N ATOM 0 H ASN A 70 -8.151 2.011 0.169 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.872 3.603 -1.301 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.004 4.466 0.875 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.726 5.664 0.927 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.838 7.657 -1.194 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.081 7.491 0.393 1.00 0.00 H new ATOM 1107 N ALA A 71 -6.056 4.040 -1.232 1.00 0.00 N ATOM 1108 CA ALA A 71 -4.801 4.668 -1.731 1.00 0.00 C ATOM 1109 C ALA A 71 -5.001 5.158 -3.165 1.00 0.00 C ATOM 1110 O ALA A 71 -5.730 4.563 -3.942 1.00 0.00 O ATOM 1111 CB ALA A 71 -3.667 3.641 -1.694 1.00 0.00 C ATOM 0 H ALA A 71 -6.020 3.025 -1.135 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.546 5.516 -1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.748 4.100 -2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.519 3.299 -0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.925 2.792 -2.327 1.00 0.00 H new ATOM 1117 N ARG A 72 -4.349 6.239 -3.520 1.00 0.00 N ATOM 1118 CA ARG A 72 -4.480 6.793 -4.898 1.00 0.00 C ATOM 1119 C ARG A 72 -3.249 6.409 -5.721 1.00 0.00 C ATOM 1120 O ARG A 72 -2.127 6.715 -5.369 1.00 0.00 O ATOM 1121 CB ARG A 72 -4.603 8.316 -4.811 1.00 0.00 C ATOM 1122 CG ARG A 72 -4.827 8.892 -6.209 1.00 0.00 C ATOM 1123 CD ARG A 72 -5.127 10.393 -6.109 1.00 0.00 C ATOM 1124 NE ARG A 72 -3.920 11.117 -5.616 1.00 0.00 N ATOM 1125 CZ ARG A 72 -3.985 12.390 -5.323 1.00 0.00 C ATOM 1126 NH1 ARG A 72 -5.112 13.039 -5.453 1.00 0.00 N ATOM 1127 NH2 ARG A 72 -2.922 13.015 -4.901 1.00 0.00 N ATOM 0 H ARG A 72 -3.727 6.764 -2.905 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.368 6.386 -5.382 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.432 8.587 -4.158 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.700 8.740 -4.372 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.943 8.728 -6.826 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.655 8.378 -6.696 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.422 10.780 -7.084 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.965 10.562 -5.433 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.038 10.616 -5.507 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.945 12.553 -5.784 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.158 14.032 -5.223 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.041 12.511 -4.800 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.971 14.008 -4.672 1.00 0.00 H new ATOM 1141 N VAL A 73 -3.460 5.724 -6.812 1.00 0.00 N ATOM 1142 CA VAL A 73 -2.323 5.287 -7.670 1.00 0.00 C ATOM 1143 C VAL A 73 -1.935 6.399 -8.644 1.00 0.00 C ATOM 1144 O VAL A 73 -2.776 7.010 -9.277 1.00 0.00 O ATOM 1145 CB VAL A 73 -2.734 4.043 -8.454 1.00 0.00 C ATOM 1146 CG1 VAL A 73 -1.625 3.655 -9.434 1.00 0.00 C ATOM 1147 CG2 VAL A 73 -2.976 2.891 -7.477 1.00 0.00 C ATOM 0 H VAL A 73 -4.382 5.446 -7.148 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.465 5.060 -7.037 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.646 4.252 -9.012 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.925 2.767 -9.990 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.450 4.476 -10.129 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.709 3.445 -8.882 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.270 2.000 -8.031 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.061 2.687 -6.921 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.770 3.164 -6.782 1.00 0.00 H new ATOM 1157 N ALA A 74 -0.661 6.662 -8.771 1.00 0.00 N ATOM 1158 CA ALA A 74 -0.194 7.727 -9.703 1.00 0.00 C ATOM 1159 C ALA A 74 1.091 7.263 -10.389 1.00 0.00 C ATOM 1160 O ALA A 74 1.827 6.450 -9.863 1.00 0.00 O ATOM 1161 CB ALA A 74 0.079 9.009 -8.914 1.00 0.00 C ATOM 0 H ALA A 74 0.081 6.180 -8.264 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.959 7.922 -10.454 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.421 9.789 -9.594 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.837 9.334 -8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.848 8.819 -8.165 1.00 0.00 H new ATOM 1167 N GLN A 75 1.363 7.771 -11.568 1.00 0.00 N ATOM 1168 CA GLN A 75 2.597 7.368 -12.314 1.00 0.00 C ATOM 1169 C GLN A 75 3.527 8.574 -12.449 1.00 0.00 C ATOM 1170 O GLN A 75 3.213 9.545 -13.111 1.00 0.00 O ATOM 1171 CB GLN A 75 2.193 6.861 -13.702 1.00 0.00 C ATOM 1172 CG GLN A 75 3.444 6.512 -14.514 1.00 0.00 C ATOM 1173 CD GLN A 75 3.034 5.875 -15.843 1.00 0.00 C ATOM 1174 OE1 GLN A 75 2.151 6.364 -16.520 1.00 0.00 O ATOM 1175 NE2 GLN A 75 3.647 4.796 -16.250 1.00 0.00 N ATOM 0 H GLN A 75 0.777 8.454 -12.049 1.00 0.00 H new ATOM 0 HA GLN A 75 3.119 6.577 -11.775 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.554 5.983 -13.606 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.612 7.623 -14.222 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.033 7.411 -14.697 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.076 5.826 -13.950 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.388 4.385 -15.682 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.385 4.364 -17.136 1.00 0.00 H new ATOM 1184 N PHE A 76 4.679 8.511 -11.819 1.00 0.00 N ATOM 1185 CA PHE A 76 5.662 9.639 -11.885 1.00 0.00 C ATOM 1186 C PHE A 76 6.917 9.203 -12.650 1.00 0.00 C ATOM 1187 O PHE A 76 7.544 8.212 -12.335 1.00 0.00 O ATOM 1188 CB PHE A 76 6.044 10.057 -10.460 1.00 0.00 C ATOM 1189 CG PHE A 76 4.917 10.858 -9.846 1.00 0.00 C ATOM 1190 CD1 PHE A 76 4.812 12.229 -10.113 1.00 0.00 C ATOM 1191 CD2 PHE A 76 3.978 10.232 -9.017 1.00 0.00 C ATOM 1192 CE1 PHE A 76 3.770 12.974 -9.549 1.00 0.00 C ATOM 1193 CE2 PHE A 76 2.936 10.978 -8.453 1.00 0.00 C ATOM 1194 CZ PHE A 76 2.832 12.350 -8.719 1.00 0.00 C ATOM 0 H PHE A 76 4.982 7.716 -11.256 1.00 0.00 H new ATOM 0 HA PHE A 76 5.209 10.482 -12.407 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.248 9.174 -9.854 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.958 10.651 -10.477 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.535 12.711 -10.754 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.057 9.174 -8.813 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.690 14.031 -9.755 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.212 10.496 -7.813 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.028 12.925 -8.284 1.00 0.00 H new ATOM 1204 N ASN A 77 7.279 9.958 -13.651 1.00 0.00 N ATOM 1205 CA ASN A 77 8.491 9.643 -14.469 1.00 0.00 C ATOM 1206 C ASN A 77 8.403 8.223 -15.042 1.00 0.00 C ATOM 1207 O ASN A 77 9.403 7.592 -15.323 1.00 0.00 O ATOM 1208 CB ASN A 77 9.751 9.784 -13.609 1.00 0.00 C ATOM 1209 CG ASN A 77 10.990 9.672 -14.501 1.00 0.00 C ATOM 1210 OD1 ASN A 77 10.875 9.462 -15.694 1.00 0.00 O ATOM 1211 ND2 ASN A 77 12.176 9.807 -13.976 1.00 0.00 N ATOM 0 H ASN A 77 6.778 10.797 -13.944 1.00 0.00 H new ATOM 0 HA ASN A 77 8.542 10.347 -15.299 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.747 10.744 -13.092 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.770 9.009 -12.842 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.006 9.737 -14.565 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.274 9.983 -12.976 1.00 0.00 H new ATOM 1218 N GLY A 78 7.213 7.726 -15.245 1.00 0.00 N ATOM 1219 CA GLY A 78 7.061 6.359 -15.823 1.00 0.00 C ATOM 1220 C GLY A 78 7.120 5.313 -14.710 1.00 0.00 C ATOM 1221 O GLY A 78 7.098 4.125 -14.967 1.00 0.00 O ATOM 0 H GLY A 78 6.339 8.208 -15.036 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.113 6.283 -16.355 1.00 0.00 H new ATOM 0 HA3 GLY A 78 7.851 6.173 -16.551 1.00 0.00 H new ATOM 1225 N TYR A 79 7.192 5.745 -13.474 1.00 0.00 N ATOM 1226 CA TYR A 79 7.250 4.782 -12.329 1.00 0.00 C ATOM 1227 C TYR A 79 5.964 4.876 -11.509 1.00 0.00 C ATOM 1228 O TYR A 79 5.511 5.947 -11.149 1.00 0.00 O ATOM 1229 CB TYR A 79 8.449 5.118 -11.446 1.00 0.00 C ATOM 1230 CG TYR A 79 9.720 4.799 -12.197 1.00 0.00 C ATOM 1231 CD1 TYR A 79 10.279 5.745 -13.063 1.00 0.00 C ATOM 1232 CD2 TYR A 79 10.337 3.554 -12.028 1.00 0.00 C ATOM 1233 CE1 TYR A 79 11.457 5.449 -13.759 1.00 0.00 C ATOM 1234 CE2 TYR A 79 11.514 3.257 -12.725 1.00 0.00 C ATOM 1235 CZ TYR A 79 12.074 4.204 -13.590 1.00 0.00 C ATOM 1236 OH TYR A 79 13.236 3.912 -14.274 1.00 0.00 O ATOM 0 H TYR A 79 7.213 6.729 -13.208 1.00 0.00 H new ATOM 0 HA TYR A 79 7.354 3.767 -12.713 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.429 6.172 -11.171 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.406 4.546 -10.519 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.801 6.705 -13.195 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.905 2.823 -11.360 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.889 6.180 -14.426 1.00 0.00 H new ATOM 0 HE2 TYR A 79 11.990 2.296 -12.595 1.00 0.00 H new ATOM 0 HH TYR A 79 13.533 3.007 -14.042 1.00 0.00 H new ATOM 1246 N LEU A 80 5.368 3.752 -11.224 1.00 0.00 N ATOM 1247 CA LEU A 80 4.101 3.745 -10.444 1.00 0.00 C ATOM 1248 C LEU A 80 4.383 4.001 -8.967 1.00 0.00 C ATOM 1249 O LEU A 80 5.377 3.565 -8.421 1.00 0.00 O ATOM 1250 CB LEU A 80 3.422 2.385 -10.611 1.00 0.00 C ATOM 1251 CG LEU A 80 3.200 2.104 -12.105 1.00 0.00 C ATOM 1252 CD1 LEU A 80 2.554 0.726 -12.276 1.00 0.00 C ATOM 1253 CD2 LEU A 80 2.288 3.184 -12.714 1.00 0.00 C ATOM 0 H LEU A 80 5.708 2.831 -11.501 1.00 0.00 H new ATOM 0 HA LEU A 80 3.448 4.535 -10.813 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.039 1.602 -10.170 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.469 2.375 -10.082 1.00 0.00 H new ATOM 0 HG LEU A 80 4.161 2.121 -12.619 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.397 0.527 -13.336 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.209 -0.038 -11.857 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.596 0.706 -11.757 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.136 2.977 -13.773 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.326 3.179 -12.202 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.755 4.162 -12.599 1.00 0.00 H new ATOM 1265 N SER A 81 3.497 4.703 -8.314 1.00 0.00 N ATOM 1266 CA SER A 81 3.681 4.995 -6.867 1.00 0.00 C ATOM 1267 C SER A 81 2.312 5.195 -6.220 1.00 0.00 C ATOM 1268 O SER A 81 1.331 5.458 -6.888 1.00 0.00 O ATOM 1269 CB SER A 81 4.517 6.262 -6.698 1.00 0.00 C ATOM 1270 OG SER A 81 3.788 7.373 -7.201 1.00 0.00 O ATOM 0 H SER A 81 2.647 5.089 -8.726 1.00 0.00 H new ATOM 0 HA SER A 81 4.196 4.162 -6.389 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.758 6.416 -5.646 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.463 6.162 -7.230 1.00 0.00 H new ATOM 0 HG SER A 81 4.320 8.189 -7.093 1.00 0.00 H new ATOM 1276 N LEU A 82 2.237 5.063 -4.920 1.00 0.00 N ATOM 1277 CA LEU A 82 0.932 5.232 -4.211 1.00 0.00 C ATOM 1278 C LEU A 82 0.928 6.556 -3.451 1.00 0.00 C ATOM 1279 O LEU A 82 1.859 6.883 -2.740 1.00 0.00 O ATOM 1280 CB LEU A 82 0.748 4.082 -3.221 1.00 0.00 C ATOM 1281 CG LEU A 82 0.860 2.745 -3.963 1.00 0.00 C ATOM 1282 CD1 LEU A 82 0.743 1.596 -2.958 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -0.260 2.632 -5.014 1.00 0.00 C ATOM 0 H LEU A 82 3.029 4.844 -4.315 1.00 0.00 H new ATOM 0 HA LEU A 82 0.120 5.230 -4.938 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.503 4.139 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.224 4.159 -2.734 1.00 0.00 H new ATOM 0 HG LEU A 82 1.825 2.692 -4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.822 0.644 -3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.544 1.673 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.221 1.652 -2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.174 1.679 -5.537 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.230 2.688 -4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.170 3.449 -5.730 1.00 0.00 H new ATOM 1295 N SER A 83 -0.123 7.323 -3.604 1.00 0.00 N ATOM 1296 CA SER A 83 -0.226 8.638 -2.906 1.00 0.00 C ATOM 1297 C SER A 83 -1.283 8.547 -1.807 1.00 0.00 C ATOM 1298 O SER A 83 -2.415 8.171 -2.048 1.00 0.00 O ATOM 1299 CB SER A 83 -0.634 9.706 -3.919 1.00 0.00 C ATOM 1300 OG SER A 83 -1.139 10.841 -3.230 1.00 0.00 O ATOM 0 H SER A 83 -0.924 7.089 -4.191 1.00 0.00 H new ATOM 0 HA SER A 83 0.735 8.899 -2.462 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.223 9.989 -4.530 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.392 9.311 -4.596 1.00 0.00 H new ATOM 0 HG SER A 83 -2.105 10.912 -3.381 1.00 0.00 H new ATOM 1306 N VAL A 84 -0.919 8.888 -0.597 1.00 0.00 N ATOM 1307 CA VAL A 84 -1.891 8.829 0.535 1.00 0.00 C ATOM 1308 C VAL A 84 -2.371 10.246 0.854 1.00 0.00 C ATOM 1309 O VAL A 84 -1.683 11.024 1.492 1.00 0.00 O ATOM 1310 CB VAL A 84 -1.202 8.221 1.755 1.00 0.00 C ATOM 1311 CG1 VAL A 84 -2.244 7.900 2.826 1.00 0.00 C ATOM 1312 CG2 VAL A 84 -0.484 6.933 1.342 1.00 0.00 C ATOM 0 H VAL A 84 0.016 9.207 -0.344 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.748 8.212 0.264 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.479 8.932 2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.750 7.466 3.696 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.758 8.815 3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.968 7.189 2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.009 6.497 2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.209 6.224 0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.260 7.160 0.579 1.00 0.00 H new ATOM 1322 N GLY A 85 -3.545 10.586 0.391 1.00 0.00 N ATOM 1323 CA GLY A 85 -4.090 11.953 0.630 1.00 0.00 C ATOM 1324 C GLY A 85 -4.803 12.022 1.985 1.00 0.00 C ATOM 1325 O GLY A 85 -4.938 11.041 2.686 1.00 0.00 O ATOM 0 H GLY A 85 -4.154 9.969 -0.147 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.281 12.683 0.602 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.786 12.217 -0.167 1.00 0.00 H new ATOM 1329 N ASP A 86 -5.268 13.188 2.344 1.00 0.00 N ATOM 1330 CA ASP A 86 -5.985 13.355 3.641 1.00 0.00 C ATOM 1331 C ASP A 86 -7.300 12.568 3.608 1.00 0.00 C ATOM 1332 O ASP A 86 -7.791 12.117 4.624 1.00 0.00 O ATOM 1333 CB ASP A 86 -6.292 14.837 3.854 1.00 0.00 C ATOM 1334 CG ASP A 86 -4.997 15.600 4.137 1.00 0.00 C ATOM 1335 OD1 ASP A 86 -3.975 14.954 4.303 1.00 0.00 O ATOM 1336 OD2 ASP A 86 -5.048 16.818 4.179 1.00 0.00 O ATOM 0 H ASP A 86 -5.181 14.040 1.789 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.361 12.983 4.453 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.780 15.247 2.970 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.985 14.958 4.686 1.00 0.00 H new ATOM 1341 N SER A 87 -7.879 12.411 2.450 1.00 0.00 N ATOM 1342 CA SER A 87 -9.166 11.665 2.353 1.00 0.00 C ATOM 1343 C SER A 87 -8.898 10.165 2.504 1.00 0.00 C ATOM 1344 O SER A 87 -9.810 9.364 2.591 1.00 0.00 O ATOM 1345 CB SER A 87 -9.787 11.931 0.982 1.00 0.00 C ATOM 1346 OG SER A 87 -10.101 13.314 0.865 1.00 0.00 O ATOM 0 H SER A 87 -7.517 12.767 1.566 1.00 0.00 H new ATOM 0 HA SER A 87 -9.845 11.993 3.140 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.094 11.636 0.194 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.688 11.330 0.856 1.00 0.00 H new ATOM 0 HG SER A 87 -10.498 13.486 -0.014 1.00 0.00 H new ATOM 1352 N SER A 88 -7.653 9.780 2.533 1.00 0.00 N ATOM 1353 CA SER A 88 -7.316 8.336 2.671 1.00 0.00 C ATOM 1354 C SER A 88 -7.406 7.909 4.135 1.00 0.00 C ATOM 1355 O SER A 88 -7.494 8.730 5.028 1.00 0.00 O ATOM 1356 CB SER A 88 -5.898 8.097 2.161 1.00 0.00 C ATOM 1357 OG SER A 88 -4.971 8.433 3.184 1.00 0.00 O ATOM 0 H SER A 88 -6.851 10.406 2.467 1.00 0.00 H new ATOM 0 HA SER A 88 -8.025 7.749 2.086 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.774 7.054 1.870 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.712 8.700 1.272 1.00 0.00 H new ATOM 0 HG SER A 88 -4.929 9.407 3.281 1.00 0.00 H new ATOM 1363 N ARG A 89 -7.378 6.619 4.387 1.00 0.00 N ATOM 1364 CA ARG A 89 -7.456 6.112 5.793 1.00 0.00 C ATOM 1365 C ARG A 89 -6.270 5.192 6.065 1.00 0.00 C ATOM 1366 O ARG A 89 -5.893 4.385 5.237 1.00 0.00 O ATOM 1367 CB ARG A 89 -8.758 5.335 5.978 1.00 0.00 C ATOM 1368 CG ARG A 89 -9.938 6.310 5.938 1.00 0.00 C ATOM 1369 CD ARG A 89 -11.254 5.535 6.054 1.00 0.00 C ATOM 1370 NE ARG A 89 -11.310 4.854 7.379 1.00 0.00 N ATOM 1371 CZ ARG A 89 -12.302 4.053 7.673 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -13.254 3.843 6.807 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -12.338 3.464 8.836 1.00 0.00 N ATOM 0 H ARG A 89 -7.304 5.894 3.674 1.00 0.00 H new ATOM 0 HA ARG A 89 -7.431 6.951 6.488 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.863 4.586 5.193 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.745 4.801 6.928 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -9.856 7.029 6.753 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -9.921 6.879 5.008 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -12.100 6.214 5.945 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -11.329 4.801 5.252 1.00 0.00 H new ATOM 0 HE ARG A 89 -10.569 5.014 8.062 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -13.227 4.304 5.897 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -14.026 3.218 7.039 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -11.594 3.628 9.514 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -13.110 2.839 9.068 1.00 0.00 H new ATOM 1387 N ILE A 90 -5.672 5.314 7.226 1.00 0.00 N ATOM 1388 CA ILE A 90 -4.499 4.460 7.577 1.00 0.00 C ATOM 1389 C ILE A 90 -4.768 3.734 8.892 1.00 0.00 C ATOM 1390 O ILE A 90 -5.149 4.337 9.878 1.00 0.00 O ATOM 1391 CB ILE A 90 -3.265 5.345 7.726 1.00 0.00 C ATOM 1392 CG1 ILE A 90 -2.990 6.044 6.388 1.00 0.00 C ATOM 1393 CG2 ILE A 90 -2.060 4.483 8.112 1.00 0.00 C ATOM 1394 CD1 ILE A 90 -1.842 7.052 6.526 1.00 0.00 C ATOM 0 H ILE A 90 -5.951 5.976 7.950 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.332 3.725 6.790 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.436 6.090 8.503 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.739 5.302 5.630 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.890 6.556 6.048 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.179 5.116 8.218 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.261 3.979 9.057 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.881 3.739 7.335 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.665 7.535 5.565 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.107 7.805 7.268 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.938 6.532 6.843 1.00 0.00 H new ATOM 1406 N GLU A 91 -4.563 2.441 8.912 1.00 0.00 N ATOM 1407 CA GLU A 91 -4.792 1.643 10.156 1.00 0.00 C ATOM 1408 C GLU A 91 -3.474 0.995 10.584 1.00 0.00 C ATOM 1409 O GLU A 91 -2.935 0.141 9.906 1.00 0.00 O ATOM 1410 CB GLU A 91 -5.835 0.562 9.875 1.00 0.00 C ATOM 1411 CG GLU A 91 -6.116 -0.220 11.159 1.00 0.00 C ATOM 1412 CD GLU A 91 -7.217 -1.249 10.904 1.00 0.00 C ATOM 1413 OE1 GLU A 91 -7.543 -1.469 9.750 1.00 0.00 O ATOM 1414 OE2 GLU A 91 -7.716 -1.802 11.872 1.00 0.00 O ATOM 0 H GLU A 91 -4.243 1.898 8.110 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.153 2.291 10.955 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.754 1.016 9.504 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.476 -0.112 9.097 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.209 -0.720 11.498 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.419 0.462 11.953 1.00 0.00 H new ATOM 1421 N SER A 92 -2.945 1.411 11.704 1.00 0.00 N ATOM 1422 CA SER A 92 -1.654 0.844 12.192 1.00 0.00 C ATOM 1423 C SER A 92 -1.866 -0.559 12.761 1.00 0.00 C ATOM 1424 O SER A 92 -2.918 -0.885 13.273 1.00 0.00 O ATOM 1425 CB SER A 92 -1.087 1.752 13.281 1.00 0.00 C ATOM 1426 OG SER A 92 0.062 1.142 13.852 1.00 0.00 O ATOM 0 H SER A 92 -3.355 2.125 12.306 1.00 0.00 H new ATOM 0 HA SER A 92 -0.957 0.781 11.356 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.826 2.723 12.861 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.839 1.929 14.050 1.00 0.00 H new ATOM 0 HG SER A 92 0.429 1.724 14.550 1.00 0.00 H new ATOM 1432 N VAL A 93 -0.865 -1.395 12.674 1.00 0.00 N ATOM 1433 CA VAL A 93 -0.994 -2.781 13.206 1.00 0.00 C ATOM 1434 C VAL A 93 -0.683 -2.799 14.707 1.00 0.00 C ATOM 1435 O VAL A 93 0.285 -2.222 15.165 1.00 0.00 O ATOM 1436 CB VAL A 93 -0.021 -3.697 12.466 1.00 0.00 C ATOM 1437 CG1 VAL A 93 -0.034 -5.087 13.106 1.00 0.00 C ATOM 1438 CG2 VAL A 93 -0.450 -3.807 11.001 1.00 0.00 C ATOM 0 H VAL A 93 0.039 -1.175 12.256 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.015 -3.132 13.054 1.00 0.00 H new ATOM 0 HB VAL A 93 0.986 -3.283 12.525 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.661 -5.738 12.576 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.267 -5.009 14.151 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.039 -5.505 13.048 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.241 -4.460 10.468 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.456 -4.222 10.947 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.441 -2.818 10.544 1.00 0.00 H new