USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 681 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 THR OG1 : rot -36:sc= -0.734 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -60:sc= 0.599 USER MOD Single : A 15 HIS : no HE2:sc= -6.7! K(o=-6.7!,f=-2.7) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 63:sc= 0.398 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.0154 X(o=-0.015,f=0.21) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 87:sc= 0.305 USER MOD Single : A 39 CYS SG : rot -48:sc= -0.241 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 174:sc= -3.32! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -1.37 X(o=-1.4,f=-0.91) USER MOD Single : A 76 HIS : no HE2:sc= -5.03! K(o=-5!,f=-3.8) USER MOD Single : A 79 GLN : amide:sc= -2.2 K(o=-2.2,f=-3.5!) USER MOD Single : A 80 GLN : amide:sc= -0.408! C(o=-0.41!,f=-1.8!) USER MOD Single : A 82 TYR OH : rot 96:sc= -0.627 USER MOD Single : A 84 THR OG1 : rot 106:sc= 1.24 USER MOD Single : A 87 GLN : amide:sc= -0.0703 K(o=-0.07,f=-3.9!) USER MOD Single : A 91 GLN : amide:sc= -0.559 K(o=-0.56,f=-2.1!) USER MOD Single : A 92 ASN : amide:sc= 0.0552 X(o=0.055,f=-0.012) USER MOD Single : A 93 SER OG : rot 17:sc= 0.726 USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 7 -7.490 -0.505 -10.664 1.00 0.00 N ATOM 67 CA THR A 7 -6.150 -0.375 -10.117 1.00 0.00 C ATOM 68 C THR A 7 -6.187 -0.462 -8.590 1.00 0.00 C ATOM 69 O THR A 7 -7.238 -0.276 -7.979 1.00 0.00 O ATOM 70 CB THR A 7 -5.552 0.934 -10.636 1.00 0.00 C ATOM 71 OG1 THR A 7 -6.531 1.916 -10.311 1.00 0.00 O ATOM 72 CG2 THR A 7 -5.474 0.976 -12.164 1.00 0.00 C ATOM 0 HA THR A 7 -5.509 -1.194 -10.443 1.00 0.00 H new ATOM 0 HB THR A 7 -4.555 1.069 -10.218 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.427 1.533 -10.418 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.043 1.926 -12.480 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.848 0.157 -12.519 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.475 0.875 -12.582 1.00 0.00 H new ATOM 80 N PRO A 8 -4.996 -0.753 -8.001 1.00 0.00 N ATOM 81 CA PRO A 8 -4.882 -0.867 -6.557 1.00 0.00 C ATOM 82 C PRO A 8 -4.912 0.511 -5.894 1.00 0.00 C ATOM 83 O PRO A 8 -5.615 0.713 -4.905 1.00 0.00 O ATOM 84 CB PRO A 8 -3.577 -1.611 -6.323 1.00 0.00 C ATOM 85 CG PRO A 8 -2.783 -1.476 -7.612 1.00 0.00 C ATOM 86 CD PRO A 8 -3.730 -0.980 -8.693 1.00 0.00 C ATOM 0 HA PRO A 8 -5.718 -1.406 -6.110 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.030 -1.186 -5.481 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.762 -2.659 -6.086 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.956 -0.778 -7.480 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.349 -2.435 -7.895 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.360 -0.064 -9.153 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.841 -1.715 -9.490 1.00 0.00 H new ATOM 94 N LEU A 9 -4.140 1.424 -6.466 1.00 0.00 N ATOM 95 CA LEU A 9 -4.070 2.778 -5.943 1.00 0.00 C ATOM 96 C LEU A 9 -5.477 3.377 -5.899 1.00 0.00 C ATOM 97 O LEU A 9 -5.881 3.946 -4.886 1.00 0.00 O ATOM 98 CB LEU A 9 -3.071 3.612 -6.747 1.00 0.00 C ATOM 99 CG LEU A 9 -2.943 5.081 -6.341 1.00 0.00 C ATOM 100 CD1 LEU A 9 -2.551 5.210 -4.867 1.00 0.00 C ATOM 101 CD2 LEU A 9 -1.969 5.822 -7.260 1.00 0.00 C ATOM 0 H LEU A 9 -3.558 1.253 -7.286 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.694 2.772 -4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.089 3.146 -6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.356 3.570 -7.798 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.918 5.554 -6.458 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.467 6.264 -4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.314 4.741 -4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.593 4.717 -4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.897 6.864 -6.949 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.985 5.356 -7.199 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.330 5.774 -8.287 1.00 0.00 H new ATOM 113 N SER A 10 -6.183 3.229 -7.009 1.00 0.00 N ATOM 114 CA SER A 10 -7.536 3.748 -7.110 1.00 0.00 C ATOM 115 C SER A 10 -8.463 2.982 -6.164 1.00 0.00 C ATOM 116 O SER A 10 -9.471 3.519 -5.707 1.00 0.00 O ATOM 117 CB SER A 10 -8.055 3.660 -8.547 1.00 0.00 C ATOM 118 OG SER A 10 -9.007 4.680 -8.835 1.00 0.00 O ATOM 0 H SER A 10 -5.844 2.757 -7.847 1.00 0.00 H new ATOM 0 HA SER A 10 -7.520 4.799 -6.822 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.218 3.740 -9.240 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.511 2.683 -8.709 1.00 0.00 H new ATOM 0 HG SER A 10 -9.313 4.590 -9.762 1.00 0.00 H new ATOM 124 N LEU A 11 -8.089 1.739 -5.899 1.00 0.00 N ATOM 125 CA LEU A 11 -8.874 0.894 -5.015 1.00 0.00 C ATOM 126 C LEU A 11 -8.672 1.349 -3.569 1.00 0.00 C ATOM 127 O LEU A 11 -9.608 1.332 -2.772 1.00 0.00 O ATOM 128 CB LEU A 11 -8.541 -0.581 -5.249 1.00 0.00 C ATOM 129 CG LEU A 11 -9.200 -1.233 -6.466 1.00 0.00 C ATOM 130 CD1 LEU A 11 -8.354 -2.395 -6.991 1.00 0.00 C ATOM 131 CD2 LEU A 11 -10.633 -1.664 -6.148 1.00 0.00 C ATOM 0 H LEU A 11 -7.253 1.297 -6.281 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.937 0.995 -5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.460 -0.677 -5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.828 -1.143 -4.360 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.257 -0.491 -7.263 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.845 -2.841 -7.856 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.370 -2.026 -7.282 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.243 -3.147 -6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.079 -2.124 -7.030 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.623 -2.383 -5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.219 -0.792 -5.858 1.00 0.00 H new ATOM 143 N THR A 12 -7.442 1.744 -3.273 1.00 0.00 N ATOM 144 CA THR A 12 -7.105 2.203 -1.936 1.00 0.00 C ATOM 145 C THR A 12 -7.697 3.590 -1.682 1.00 0.00 C ATOM 146 O THR A 12 -8.420 3.792 -0.707 1.00 0.00 O ATOM 147 CB THR A 12 -5.582 2.157 -1.791 1.00 0.00 C ATOM 148 OG1 THR A 12 -5.120 3.196 -2.649 1.00 0.00 O ATOM 149 CG2 THR A 12 -4.975 0.884 -2.386 1.00 0.00 C ATOM 0 H THR A 12 -6.667 1.756 -3.936 1.00 0.00 H new ATOM 0 HA THR A 12 -7.539 1.555 -1.175 1.00 0.00 H new ATOM 0 HB THR A 12 -5.316 2.227 -0.736 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.405 3.012 -3.568 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.893 0.902 -2.257 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.387 0.012 -1.877 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.212 0.830 -3.448 1.00 0.00 H new ATOM 157 N LEU A 13 -7.370 4.511 -2.577 1.00 0.00 N ATOM 158 CA LEU A 13 -7.861 5.874 -2.462 1.00 0.00 C ATOM 159 C LEU A 13 -9.388 5.855 -2.367 1.00 0.00 C ATOM 160 O LEU A 13 -9.978 6.648 -1.635 1.00 0.00 O ATOM 161 CB LEU A 13 -7.327 6.734 -3.610 1.00 0.00 C ATOM 162 CG LEU A 13 -5.999 7.448 -3.351 1.00 0.00 C ATOM 163 CD1 LEU A 13 -6.105 8.382 -2.144 1.00 0.00 C ATOM 164 CD2 LEU A 13 -4.856 6.442 -3.199 1.00 0.00 C ATOM 0 H LEU A 13 -6.771 4.340 -3.385 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.490 6.337 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.211 6.100 -4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.078 7.484 -3.856 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.769 8.067 -4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.148 8.877 -1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.874 9.132 -2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.369 7.804 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.923 6.976 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.065 5.778 -2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.764 5.855 -4.113 1.00 0.00 H new ATOM 176 N ASP A 14 -9.985 4.940 -3.117 1.00 0.00 N ATOM 177 CA ASP A 14 -11.431 4.807 -3.126 1.00 0.00 C ATOM 178 C ASP A 14 -11.907 4.358 -1.743 1.00 0.00 C ATOM 179 O ASP A 14 -13.041 4.631 -1.353 1.00 0.00 O ATOM 180 CB ASP A 14 -11.882 3.758 -4.144 1.00 0.00 C ATOM 181 CG ASP A 14 -11.986 4.258 -5.586 1.00 0.00 C ATOM 182 OD1 ASP A 14 -12.289 5.460 -5.749 1.00 0.00 O ATOM 183 OD2 ASP A 14 -11.759 3.428 -6.493 1.00 0.00 O ATOM 0 H ASP A 14 -9.493 4.284 -3.723 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.856 5.775 -3.393 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.183 2.922 -4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.854 3.372 -3.838 1.00 0.00 H new ATOM 188 N HIS A 15 -11.015 3.678 -1.038 1.00 0.00 N ATOM 189 CA HIS A 15 -11.329 3.188 0.294 1.00 0.00 C ATOM 190 C HIS A 15 -10.333 3.766 1.301 1.00 0.00 C ATOM 191 O HIS A 15 -9.846 3.053 2.177 1.00 0.00 O ATOM 192 CB HIS A 15 -11.373 1.659 0.315 1.00 0.00 C ATOM 193 CG HIS A 15 -12.690 1.077 -0.140 1.00 0.00 C ATOM 194 ND1 HIS A 15 -13.906 1.464 0.395 1.00 0.00 N ATOM 195 CD2 HIS A 15 -12.968 0.133 -1.085 1.00 0.00 C ATOM 196 CE1 HIS A 15 -14.866 0.778 -0.207 1.00 0.00 C ATOM 197 NE2 HIS A 15 -14.283 -0.047 -1.124 1.00 0.00 N ATOM 0 H HIS A 15 -10.075 3.455 -1.364 1.00 0.00 H new ATOM 0 HA HIS A 15 -12.324 3.526 0.584 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.577 1.274 -0.323 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.165 1.313 1.328 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -14.040 2.160 1.129 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -12.242 -0.381 -1.697 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -15.924 0.858 -0.007 1.00 0.00 H new ATOM 205 N TRP A 16 -10.059 5.053 1.143 1.00 0.00 N ATOM 206 CA TRP A 16 -9.130 5.735 2.028 1.00 0.00 C ATOM 207 C TRP A 16 -9.585 5.493 3.468 1.00 0.00 C ATOM 208 O TRP A 16 -8.759 5.314 4.362 1.00 0.00 O ATOM 209 CB TRP A 16 -9.026 7.220 1.674 1.00 0.00 C ATOM 210 CG TRP A 16 -8.006 7.990 2.515 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.204 9.098 3.242 1.00 0.00 C ATOM 212 CD2 TRP A 16 -6.611 7.661 2.687 1.00 0.00 C ATOM 213 NE1 TRP A 16 -7.043 9.506 3.868 1.00 0.00 N ATOM 214 CE2 TRP A 16 -6.044 8.605 3.520 1.00 0.00 C ATOM 215 CE3 TRP A 16 -5.853 6.602 2.157 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -4.696 8.584 3.896 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -4.507 6.596 2.543 1.00 0.00 C ATOM 218 CH2 TRP A 16 -3.921 7.538 3.380 1.00 0.00 C ATOM 0 H TRP A 16 -10.464 5.641 0.415 1.00 0.00 H new ATOM 0 HA TRP A 16 -8.122 5.337 1.911 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.759 7.314 0.621 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -10.006 7.682 1.797 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.152 9.608 3.328 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -6.938 10.319 4.474 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -6.275 5.853 1.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.276 9.334 4.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.880 5.803 2.163 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.873 7.464 3.631 1.00 0.00 H new ATOM 229 N SER A 17 -10.897 5.497 3.649 1.00 0.00 N ATOM 230 CA SER A 17 -11.472 5.281 4.966 1.00 0.00 C ATOM 231 C SER A 17 -10.925 3.985 5.569 1.00 0.00 C ATOM 232 O SER A 17 -10.554 3.950 6.741 1.00 0.00 O ATOM 233 CB SER A 17 -13.000 5.232 4.899 1.00 0.00 C ATOM 234 OG SER A 17 -13.576 4.827 6.138 1.00 0.00 O ATOM 0 H SER A 17 -11.579 5.646 2.905 1.00 0.00 H new ATOM 0 HA SER A 17 -11.190 6.119 5.604 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.383 6.215 4.626 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.306 4.541 4.114 1.00 0.00 H new ATOM 0 HG SER A 17 -14.552 4.810 6.055 1.00 0.00 H new ATOM 240 N GLU A 18 -10.893 2.952 4.741 1.00 0.00 N ATOM 241 CA GLU A 18 -10.397 1.658 5.178 1.00 0.00 C ATOM 242 C GLU A 18 -8.900 1.737 5.479 1.00 0.00 C ATOM 243 O GLU A 18 -8.430 1.167 6.463 1.00 0.00 O ATOM 244 CB GLU A 18 -10.690 0.578 4.134 1.00 0.00 C ATOM 245 CG GLU A 18 -9.852 -0.676 4.392 1.00 0.00 C ATOM 246 CD GLU A 18 -10.269 -1.355 5.698 1.00 0.00 C ATOM 247 OE1 GLU A 18 -11.493 -1.524 5.884 1.00 0.00 O ATOM 248 OE2 GLU A 18 -9.354 -1.691 6.481 1.00 0.00 O ATOM 0 H GLU A 18 -11.202 2.984 3.770 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.918 1.382 6.095 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.749 0.323 4.157 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.477 0.964 3.137 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.969 -1.373 3.562 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.796 -0.409 4.438 1.00 0.00 H new ATOM 255 N ILE A 19 -8.191 2.449 4.615 1.00 0.00 N ATOM 256 CA ILE A 19 -6.756 2.610 4.776 1.00 0.00 C ATOM 257 C ILE A 19 -6.478 3.428 6.039 1.00 0.00 C ATOM 258 O ILE A 19 -5.482 3.199 6.724 1.00 0.00 O ATOM 259 CB ILE A 19 -6.138 3.204 3.509 1.00 0.00 C ATOM 260 CG1 ILE A 19 -6.641 2.477 2.261 1.00 0.00 C ATOM 261 CG2 ILE A 19 -4.610 3.208 3.595 1.00 0.00 C ATOM 262 CD1 ILE A 19 -6.158 1.026 2.239 1.00 0.00 C ATOM 0 H ILE A 19 -8.584 2.921 3.801 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.276 1.641 4.912 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.458 4.243 3.426 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.730 2.502 2.236 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.290 2.994 1.368 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.195 3.635 2.682 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.295 3.805 4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.250 2.186 3.714 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.530 0.532 1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.068 1.005 2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.531 0.505 3.121 1.00 0.00 H new ATOM 274 N ARG A 20 -7.376 4.364 6.308 1.00 0.00 N ATOM 275 CA ARG A 20 -7.240 5.218 7.476 1.00 0.00 C ATOM 276 C ARG A 20 -7.511 4.418 8.752 1.00 0.00 C ATOM 277 O ARG A 20 -7.000 4.753 9.820 1.00 0.00 O ATOM 278 CB ARG A 20 -8.206 6.402 7.409 1.00 0.00 C ATOM 279 CG ARG A 20 -7.749 7.424 6.366 1.00 0.00 C ATOM 280 CD ARG A 20 -8.208 8.834 6.743 1.00 0.00 C ATOM 281 NE ARG A 20 -9.679 8.937 6.622 1.00 0.00 N ATOM 282 CZ ARG A 20 -10.345 10.095 6.520 1.00 0.00 C ATOM 283 NH1 ARG A 20 -9.675 11.256 6.523 1.00 0.00 N ATOM 284 NH2 ARG A 20 -11.681 10.093 6.414 1.00 0.00 N ATOM 0 H ARG A 20 -8.201 4.550 5.737 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.219 5.599 7.491 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.206 6.046 7.161 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.271 6.879 8.387 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.663 7.402 6.281 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.150 7.156 5.389 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.902 9.064 7.763 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.729 9.567 6.094 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.220 8.072 6.616 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.658 11.258 6.603 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.182 12.138 6.445 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.191 9.210 6.411 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.188 10.975 6.336 1.00 0.00 H new ATOM 298 N SER A 21 -8.316 3.377 8.600 1.00 0.00 N ATOM 299 CA SER A 21 -8.662 2.527 9.727 1.00 0.00 C ATOM 300 C SER A 21 -7.518 1.554 10.019 1.00 0.00 C ATOM 301 O SER A 21 -7.116 1.390 11.169 1.00 0.00 O ATOM 302 CB SER A 21 -9.958 1.759 9.460 1.00 0.00 C ATOM 303 OG SER A 21 -10.847 2.488 8.618 1.00 0.00 O ATOM 0 H SER A 21 -8.739 3.103 7.713 1.00 0.00 H new ATOM 0 HA SER A 21 -8.821 3.162 10.598 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.723 0.801 8.996 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.452 1.541 10.407 1.00 0.00 H new ATOM 0 HG SER A 21 -10.432 2.619 7.740 1.00 0.00 H new ATOM 309 N ARG A 22 -7.027 0.933 8.956 1.00 0.00 N ATOM 310 CA ARG A 22 -5.937 -0.020 9.084 1.00 0.00 C ATOM 311 C ARG A 22 -4.774 0.604 9.858 1.00 0.00 C ATOM 312 O ARG A 22 -4.144 -0.059 10.680 1.00 0.00 O ATOM 313 CB ARG A 22 -5.440 -0.476 7.711 1.00 0.00 C ATOM 314 CG ARG A 22 -6.592 -1.026 6.866 1.00 0.00 C ATOM 315 CD ARG A 22 -6.439 -2.532 6.645 1.00 0.00 C ATOM 316 NE ARG A 22 -7.405 -2.995 5.624 1.00 0.00 N ATOM 317 CZ ARG A 22 -7.534 -4.271 5.236 1.00 0.00 C ATOM 318 NH1 ARG A 22 -6.761 -5.219 5.781 1.00 0.00 N ATOM 319 NH2 ARG A 22 -8.438 -4.598 4.302 1.00 0.00 N ATOM 0 H ARG A 22 -7.364 1.071 8.003 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.316 -0.886 9.627 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.972 0.361 7.193 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.675 -1.243 7.833 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.541 -0.822 7.362 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.619 -0.514 5.904 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.422 -2.759 6.325 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.605 -3.064 7.582 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.010 -2.299 5.188 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.073 -4.970 6.492 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.860 -6.190 5.485 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.027 -3.876 3.887 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.537 -5.569 4.006 1.00 0.00 H new ATOM 333 N ALA A 23 -4.525 1.872 9.567 1.00 0.00 N ATOM 334 CA ALA A 23 -3.449 2.593 10.226 1.00 0.00 C ATOM 335 C ALA A 23 -3.830 2.849 11.685 1.00 0.00 C ATOM 336 O ALA A 23 -2.971 2.844 12.565 1.00 0.00 O ATOM 337 CB ALA A 23 -3.160 3.888 9.463 1.00 0.00 C ATOM 0 H ALA A 23 -5.049 2.419 8.884 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.533 2.001 10.224 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.353 4.429 9.957 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.865 3.650 8.441 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.056 4.508 9.447 1.00 0.00 H new ATOM 343 N HIS A 24 -5.120 3.066 11.897 1.00 0.00 N ATOM 344 CA HIS A 24 -5.625 3.324 13.235 1.00 0.00 C ATOM 345 C HIS A 24 -5.442 2.076 14.101 1.00 0.00 C ATOM 346 O HIS A 24 -4.987 2.169 15.241 1.00 0.00 O ATOM 347 CB HIS A 24 -7.078 3.802 13.184 1.00 0.00 C ATOM 348 CG HIS A 24 -7.321 5.106 13.905 1.00 0.00 C ATOM 349 ND1 HIS A 24 -8.060 5.191 15.072 1.00 0.00 N ATOM 350 CD2 HIS A 24 -6.914 6.375 13.613 1.00 0.00 C ATOM 351 CE1 HIS A 24 -8.091 6.459 15.455 1.00 0.00 C ATOM 352 NE2 HIS A 24 -7.381 7.191 14.550 1.00 0.00 N ATOM 0 H HIS A 24 -5.830 3.068 11.165 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.054 4.131 13.695 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.377 3.914 12.142 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.718 3.034 13.618 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -6.314 6.666 12.764 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -8.591 6.845 16.331 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.233 8.200 14.587 1.00 0.00 H new ATOM 360 N ASN A 25 -5.805 0.938 13.529 1.00 0.00 N ATOM 361 CA ASN A 25 -5.686 -0.326 14.234 1.00 0.00 C ATOM 362 C ASN A 25 -4.207 -0.632 14.478 1.00 0.00 C ATOM 363 O ASN A 25 -3.854 -1.247 15.483 1.00 0.00 O ATOM 364 CB ASN A 25 -6.277 -1.474 13.413 1.00 0.00 C ATOM 365 CG ASN A 25 -6.920 -2.524 14.321 1.00 0.00 C ATOM 366 OD1 ASN A 25 -6.344 -2.973 15.298 1.00 0.00 O ATOM 367 ND2 ASN A 25 -8.141 -2.891 13.944 1.00 0.00 N ATOM 0 H ASN A 25 -6.182 0.865 12.584 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.230 -0.239 15.175 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.021 -1.084 12.719 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.494 -1.938 12.813 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.653 -3.588 14.484 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.565 -2.475 13.115 1.00 0.00 H new ATOM 374 N LEU A 26 -3.382 -0.189 13.541 1.00 0.00 N ATOM 375 CA LEU A 26 -1.949 -0.408 13.641 1.00 0.00 C ATOM 376 C LEU A 26 -1.334 0.672 14.533 1.00 0.00 C ATOM 377 O LEU A 26 -0.227 0.504 15.044 1.00 0.00 O ATOM 378 CB LEU A 26 -1.320 -0.487 12.248 1.00 0.00 C ATOM 379 CG LEU A 26 -1.767 -1.662 11.376 1.00 0.00 C ATOM 380 CD1 LEU A 26 -1.314 -1.473 9.927 1.00 0.00 C ATOM 381 CD2 LEU A 26 -1.283 -2.992 11.959 1.00 0.00 C ATOM 0 H LEU A 26 -3.678 0.321 12.709 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.742 -1.368 14.113 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.543 0.439 11.717 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.237 -0.536 12.362 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.857 -1.689 11.372 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.645 -2.322 9.329 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.747 -0.556 9.527 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.227 -1.406 9.892 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.614 -3.811 11.320 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.194 -2.991 12.013 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.696 -3.122 12.959 1.00 0.00 H new ATOM 393 N SER A 27 -2.078 1.756 14.695 1.00 0.00 N ATOM 394 CA SER A 27 -1.619 2.863 15.516 1.00 0.00 C ATOM 395 C SER A 27 -0.629 3.724 14.730 1.00 0.00 C ATOM 396 O SER A 27 0.460 4.024 15.215 1.00 0.00 O ATOM 397 CB SER A 27 -0.974 2.359 16.809 1.00 0.00 C ATOM 398 OG SER A 27 -0.942 3.365 17.817 1.00 0.00 O ATOM 0 H SER A 27 -2.996 1.891 14.271 1.00 0.00 H new ATOM 0 HA SER A 27 -2.484 3.470 15.785 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.527 1.495 17.177 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.042 2.023 16.600 1.00 0.00 H new ATOM 0 HG SER A 27 -0.524 3.004 18.627 1.00 0.00 H new ATOM 404 N VAL A 28 -1.043 4.096 13.527 1.00 0.00 N ATOM 405 CA VAL A 28 -0.206 4.917 12.668 1.00 0.00 C ATOM 406 C VAL A 28 -1.077 5.949 11.950 1.00 0.00 C ATOM 407 O VAL A 28 -2.278 5.744 11.783 1.00 0.00 O ATOM 408 CB VAL A 28 0.585 4.029 11.706 1.00 0.00 C ATOM 409 CG1 VAL A 28 1.815 3.433 12.395 1.00 0.00 C ATOM 410 CG2 VAL A 28 -0.302 2.929 11.120 1.00 0.00 C ATOM 0 H VAL A 28 -1.947 3.844 13.127 1.00 0.00 H new ATOM 0 HA VAL A 28 0.527 5.466 13.260 1.00 0.00 H new ATOM 0 HB VAL A 28 0.932 4.653 10.883 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.359 2.806 11.689 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.464 4.238 12.741 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.499 2.830 13.246 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.285 2.312 10.440 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.693 2.309 11.926 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.131 3.381 10.576 1.00 0.00 H new ATOM 420 N GLU A 29 -0.438 7.037 11.545 1.00 0.00 N ATOM 421 CA GLU A 29 -1.139 8.102 10.849 1.00 0.00 C ATOM 422 C GLU A 29 -0.551 8.299 9.450 1.00 0.00 C ATOM 423 O GLU A 29 0.664 8.237 9.270 1.00 0.00 O ATOM 424 CB GLU A 29 -1.094 9.404 11.651 1.00 0.00 C ATOM 425 CG GLU A 29 -2.456 10.102 11.640 1.00 0.00 C ATOM 426 CD GLU A 29 -2.366 11.468 10.957 1.00 0.00 C ATOM 427 OE1 GLU A 29 -2.225 11.473 9.715 1.00 0.00 O ATOM 428 OE2 GLU A 29 -2.440 12.476 11.692 1.00 0.00 O ATOM 0 H GLU A 29 0.558 7.204 11.686 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.185 7.814 10.745 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.798 9.192 12.678 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.338 10.068 11.232 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.184 9.479 11.120 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.814 10.225 12.662 1.00 0.00 H new ATOM 435 N ILE A 30 -1.440 8.533 8.497 1.00 0.00 N ATOM 436 CA ILE A 30 -1.024 8.740 7.120 1.00 0.00 C ATOM 437 C ILE A 30 -1.926 9.792 6.472 1.00 0.00 C ATOM 438 O ILE A 30 -2.961 10.156 7.029 1.00 0.00 O ATOM 439 CB ILE A 30 -0.991 7.409 6.365 1.00 0.00 C ATOM 440 CG1 ILE A 30 -2.398 6.826 6.219 1.00 0.00 C ATOM 441 CG2 ILE A 30 -0.028 6.425 7.031 1.00 0.00 C ATOM 442 CD1 ILE A 30 -2.354 5.445 5.562 1.00 0.00 C ATOM 0 H ILE A 30 -2.447 8.584 8.651 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.006 9.127 7.083 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.615 7.596 5.359 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.868 6.751 7.200 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.014 7.498 5.621 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.023 5.488 6.475 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.977 6.848 7.038 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.350 6.238 8.055 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.367 5.053 5.470 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.906 5.527 4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.758 4.769 6.175 1.00 0.00 H new ATOM 454 N LYS A 31 -1.501 10.251 5.304 1.00 0.00 N ATOM 455 CA LYS A 31 -2.257 11.254 4.574 1.00 0.00 C ATOM 456 C LYS A 31 -2.722 10.666 3.240 1.00 0.00 C ATOM 457 O LYS A 31 -2.245 9.612 2.823 1.00 0.00 O ATOM 458 CB LYS A 31 -1.441 12.540 4.429 1.00 0.00 C ATOM 459 CG LYS A 31 -1.730 13.507 5.579 1.00 0.00 C ATOM 460 CD LYS A 31 -2.088 14.897 5.049 1.00 0.00 C ATOM 461 CE LYS A 31 -0.872 15.825 5.082 1.00 0.00 C ATOM 462 NZ LYS A 31 -1.291 17.235 4.912 1.00 0.00 N ATOM 0 H LYS A 31 -0.642 9.947 4.845 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.153 11.534 5.128 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.378 12.300 4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.677 13.019 3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.550 13.122 6.185 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.858 13.575 6.229 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.461 14.816 4.028 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.892 15.323 5.649 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.343 15.708 6.028 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.175 15.549 4.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.454 17.851 4.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.775 17.345 3.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.939 17.500 5.681 1.00 0.00 H new ATOM 476 N LYS A 32 -3.646 11.374 2.607 1.00 0.00 N ATOM 477 CA LYS A 32 -4.180 10.936 1.329 1.00 0.00 C ATOM 478 C LYS A 32 -3.387 11.594 0.198 1.00 0.00 C ATOM 479 O LYS A 32 -3.507 11.197 -0.961 1.00 0.00 O ATOM 480 CB LYS A 32 -5.685 11.198 1.259 1.00 0.00 C ATOM 481 CG LYS A 32 -6.271 10.685 -0.058 1.00 0.00 C ATOM 482 CD LYS A 32 -7.729 11.118 -0.216 1.00 0.00 C ATOM 483 CE LYS A 32 -8.616 9.931 -0.599 1.00 0.00 C ATOM 484 NZ LYS A 32 -9.961 10.074 0.002 1.00 0.00 N ATOM 0 H LYS A 32 -4.038 12.248 2.956 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.063 9.858 1.216 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.182 10.709 2.097 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.876 12.267 1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.683 11.064 -0.894 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.206 9.597 -0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.085 11.556 0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.801 11.892 -0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.701 9.868 -1.684 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.157 9.002 -0.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.550 9.260 -0.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.876 10.112 1.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.403 10.950 -0.341 1.00 0.00 H new ATOM 498 N GLY A 33 -2.596 12.588 0.573 1.00 0.00 N ATOM 499 CA GLY A 33 -1.784 13.305 -0.396 1.00 0.00 C ATOM 500 C GLY A 33 -0.497 12.539 -0.707 1.00 0.00 C ATOM 501 O GLY A 33 -0.160 12.332 -1.871 1.00 0.00 O ATOM 0 H GLY A 33 -2.500 12.914 1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.353 13.454 -1.313 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.538 14.294 -0.009 1.00 0.00 H new ATOM 505 N PRO A 34 0.205 12.128 0.383 1.00 0.00 N ATOM 506 CA PRO A 34 1.447 11.389 0.238 1.00 0.00 C ATOM 507 C PRO A 34 1.179 9.941 -0.178 1.00 0.00 C ATOM 508 O PRO A 34 1.906 9.382 -0.997 1.00 0.00 O ATOM 509 CB PRO A 34 2.132 11.501 1.591 1.00 0.00 C ATOM 510 CG PRO A 34 1.044 11.898 2.576 1.00 0.00 C ATOM 511 CD PRO A 34 -0.165 12.355 1.777 1.00 0.00 C ATOM 0 HA PRO A 34 2.084 11.789 -0.551 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.591 10.554 1.876 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.927 12.246 1.566 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.782 11.055 3.216 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.394 12.697 3.229 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.056 11.788 2.048 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.388 13.406 1.962 1.00 0.00 H new ATOM 519 N TRP A 35 0.133 9.375 0.407 1.00 0.00 N ATOM 520 CA TRP A 35 -0.240 8.003 0.107 1.00 0.00 C ATOM 521 C TRP A 35 -0.272 7.844 -1.414 1.00 0.00 C ATOM 522 O TRP A 35 0.149 6.816 -1.943 1.00 0.00 O ATOM 523 CB TRP A 35 -1.568 7.638 0.774 1.00 0.00 C ATOM 524 CG TRP A 35 -2.154 6.304 0.306 1.00 0.00 C ATOM 525 CD1 TRP A 35 -2.930 6.074 -0.761 1.00 0.00 C ATOM 526 CD2 TRP A 35 -1.976 5.019 0.937 1.00 0.00 C ATOM 527 NE1 TRP A 35 -3.266 4.739 -0.863 1.00 0.00 N ATOM 528 CE2 TRP A 35 -2.667 4.077 0.202 1.00 0.00 C ATOM 529 CE3 TRP A 35 -1.256 4.663 2.091 1.00 0.00 C ATOM 530 CZ2 TRP A 35 -2.706 2.719 0.539 1.00 0.00 C ATOM 531 CZ3 TRP A 35 -1.305 3.302 2.415 1.00 0.00 C ATOM 532 CH2 TRP A 35 -1.996 2.341 1.685 1.00 0.00 C ATOM 0 H TRP A 35 -0.467 9.842 1.087 1.00 0.00 H new ATOM 0 HA TRP A 35 0.492 7.306 0.515 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.422 7.600 1.854 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.291 8.430 0.578 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -3.252 6.837 -1.454 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -3.847 4.316 -1.587 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.708 5.383 2.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -3.254 2.001 -0.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.768 2.975 3.294 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.985 1.308 2.001 1.00 0.00 H new ATOM 543 N ARG A 36 -0.776 8.876 -2.075 1.00 0.00 N ATOM 544 CA ARG A 36 -0.868 8.863 -3.525 1.00 0.00 C ATOM 545 C ARG A 36 0.500 9.151 -4.147 1.00 0.00 C ATOM 546 O ARG A 36 0.948 8.426 -5.034 1.00 0.00 O ATOM 547 CB ARG A 36 -1.875 9.902 -4.022 1.00 0.00 C ATOM 548 CG ARG A 36 -2.436 9.510 -5.391 1.00 0.00 C ATOM 549 CD ARG A 36 -3.949 9.734 -5.448 1.00 0.00 C ATOM 550 NE ARG A 36 -4.576 8.727 -6.332 1.00 0.00 N ATOM 551 CZ ARG A 36 -5.860 8.759 -6.715 1.00 0.00 C ATOM 552 NH1 ARG A 36 -6.660 9.749 -6.295 1.00 0.00 N ATOM 553 NH2 ARG A 36 -6.343 7.802 -7.519 1.00 0.00 N ATOM 0 H ARG A 36 -1.125 9.727 -1.633 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.206 7.872 -3.827 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.690 9.996 -3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.394 10.878 -4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.948 10.097 -6.169 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.212 8.463 -5.594 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.373 9.665 -4.446 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.163 10.737 -5.817 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.995 7.960 -6.671 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.292 10.478 -5.684 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.637 9.773 -6.586 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.734 7.049 -7.839 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.320 7.826 -7.811 1.00 0.00 H new ATOM 567 N THR A 37 1.126 10.210 -3.656 1.00 0.00 N ATOM 568 CA THR A 37 2.434 10.603 -4.153 1.00 0.00 C ATOM 569 C THR A 37 3.415 9.433 -4.054 1.00 0.00 C ATOM 570 O THR A 37 4.073 9.086 -5.034 1.00 0.00 O ATOM 571 CB THR A 37 2.884 11.840 -3.373 1.00 0.00 C ATOM 572 OG1 THR A 37 2.045 12.883 -3.862 1.00 0.00 O ATOM 573 CG2 THR A 37 4.297 12.289 -3.752 1.00 0.00 C ATOM 0 H THR A 37 0.752 10.808 -2.919 1.00 0.00 H new ATOM 0 HA THR A 37 2.393 10.864 -5.210 1.00 0.00 H new ATOM 0 HB THR A 37 2.845 11.629 -2.304 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.214 12.905 -3.343 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.567 13.170 -3.170 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.003 11.485 -3.542 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.329 12.532 -4.814 1.00 0.00 H new ATOM 581 N PHE A 38 3.482 8.857 -2.863 1.00 0.00 N ATOM 582 CA PHE A 38 4.372 7.733 -2.624 1.00 0.00 C ATOM 583 C PHE A 38 4.115 6.607 -3.628 1.00 0.00 C ATOM 584 O PHE A 38 5.035 5.882 -4.002 1.00 0.00 O ATOM 585 CB PHE A 38 4.075 7.220 -1.214 1.00 0.00 C ATOM 586 CG PHE A 38 4.666 8.087 -0.100 1.00 0.00 C ATOM 587 CD1 PHE A 38 5.910 8.617 -0.238 1.00 0.00 C ATOM 588 CD2 PHE A 38 3.946 8.326 1.029 1.00 0.00 C ATOM 589 CE1 PHE A 38 6.458 9.422 0.796 1.00 0.00 C ATOM 590 CE2 PHE A 38 4.494 9.131 2.063 1.00 0.00 C ATOM 591 CZ PHE A 38 5.738 9.661 1.925 1.00 0.00 C ATOM 0 H PHE A 38 2.935 9.147 -2.053 1.00 0.00 H new ATOM 0 HA PHE A 38 5.409 8.050 -2.732 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.995 7.160 -1.080 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.465 6.207 -1.117 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.482 8.426 -1.134 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.958 7.904 1.139 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.446 9.844 0.686 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.922 9.322 2.959 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.155 10.272 2.712 1.00 0.00 H new ATOM 601 N CYS A 39 2.859 6.497 -4.036 1.00 0.00 N ATOM 602 CA CYS A 39 2.469 5.472 -4.989 1.00 0.00 C ATOM 603 C CYS A 39 2.274 6.134 -6.354 1.00 0.00 C ATOM 604 O CYS A 39 1.699 5.536 -7.262 1.00 0.00 O ATOM 605 CB CYS A 39 1.215 4.723 -4.534 1.00 0.00 C ATOM 606 SG CYS A 39 1.072 3.136 -5.433 1.00 0.00 S ATOM 0 H CYS A 39 2.098 7.101 -3.724 1.00 0.00 H new ATOM 0 HA CYS A 39 3.255 4.720 -5.060 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.261 4.539 -3.461 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.331 5.334 -4.715 1.00 0.00 H new ATOM 0 HG CYS A 39 1.245 3.341 -6.705 1.00 0.00 H new ATOM 612 N ALA A 40 2.764 7.361 -6.457 1.00 0.00 N ATOM 613 CA ALA A 40 2.651 8.111 -7.696 1.00 0.00 C ATOM 614 C ALA A 40 3.942 7.954 -8.502 1.00 0.00 C ATOM 615 O ALA A 40 3.900 7.678 -9.700 1.00 0.00 O ATOM 616 CB ALA A 40 2.336 9.575 -7.380 1.00 0.00 C ATOM 0 H ALA A 40 3.240 7.854 -5.702 1.00 0.00 H new ATOM 0 HA ALA A 40 1.833 7.725 -8.305 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.251 10.138 -8.310 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.395 9.635 -6.833 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.137 9.997 -6.772 1.00 0.00 H new ATOM 622 N SER A 41 5.059 8.136 -7.812 1.00 0.00 N ATOM 623 CA SER A 41 6.359 8.018 -8.449 1.00 0.00 C ATOM 624 C SER A 41 7.457 7.941 -7.386 1.00 0.00 C ATOM 625 O SER A 41 8.542 8.493 -7.568 1.00 0.00 O ATOM 626 CB SER A 41 6.618 9.192 -9.396 1.00 0.00 C ATOM 627 OG SER A 41 7.167 8.764 -10.639 1.00 0.00 O ATOM 0 H SER A 41 5.090 8.364 -6.818 1.00 0.00 H new ATOM 0 HA SER A 41 6.368 7.102 -9.040 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.684 9.725 -9.576 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.301 9.897 -8.922 1.00 0.00 H new ATOM 0 HG SER A 41 7.316 9.542 -11.216 1.00 0.00 H new ATOM 633 N GLU A 42 7.138 7.252 -6.301 1.00 0.00 N ATOM 634 CA GLU A 42 8.084 7.096 -5.209 1.00 0.00 C ATOM 635 C GLU A 42 8.430 5.618 -5.013 1.00 0.00 C ATOM 636 O GLU A 42 9.602 5.259 -4.914 1.00 0.00 O ATOM 637 CB GLU A 42 7.537 7.706 -3.917 1.00 0.00 C ATOM 638 CG GLU A 42 8.667 8.012 -2.933 1.00 0.00 C ATOM 639 CD GLU A 42 9.255 9.401 -3.188 1.00 0.00 C ATOM 640 OE1 GLU A 42 8.449 10.319 -3.453 1.00 0.00 O ATOM 641 OE2 GLU A 42 10.498 9.514 -3.112 1.00 0.00 O ATOM 0 H GLU A 42 6.238 6.795 -6.154 1.00 0.00 H new ATOM 0 HA GLU A 42 8.997 7.632 -5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.991 8.622 -4.146 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.827 7.018 -3.458 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.290 7.955 -1.912 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.450 7.259 -3.027 1.00 0.00 H new ATOM 648 N TRP A 43 7.388 4.801 -4.965 1.00 0.00 N ATOM 649 CA TRP A 43 7.567 3.370 -4.783 1.00 0.00 C ATOM 650 C TRP A 43 8.061 2.784 -6.107 1.00 0.00 C ATOM 651 O TRP A 43 8.986 1.973 -6.123 1.00 0.00 O ATOM 652 CB TRP A 43 6.277 2.716 -4.284 1.00 0.00 C ATOM 653 CG TRP A 43 6.008 2.928 -2.793 1.00 0.00 C ATOM 654 CD1 TRP A 43 6.887 3.253 -1.834 1.00 0.00 C ATOM 655 CD2 TRP A 43 4.734 2.817 -2.124 1.00 0.00 C ATOM 656 NE1 TRP A 43 6.274 3.358 -0.602 1.00 0.00 N ATOM 657 CE2 TRP A 43 4.924 3.085 -0.784 1.00 0.00 C ATOM 658 CE3 TRP A 43 3.463 2.501 -2.636 1.00 0.00 C ATOM 659 CZ2 TRP A 43 3.886 3.064 0.156 1.00 0.00 C ATOM 660 CZ3 TRP A 43 2.437 2.483 -1.683 1.00 0.00 C ATOM 661 CH2 TRP A 43 2.611 2.751 -0.331 1.00 0.00 C ATOM 0 H TRP A 43 6.417 5.102 -5.049 1.00 0.00 H new ATOM 0 HA TRP A 43 8.312 3.169 -4.013 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.437 3.112 -4.854 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.323 1.646 -4.486 1.00 0.00 H new ATOM 0 HD1 TRP A 43 7.942 3.412 -2.004 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.729 3.593 0.280 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.292 2.289 -3.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.060 3.278 1.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.440 2.244 -2.023 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.767 2.718 0.341 1.00 0.00 H new ATOM 672 N PRO A 44 7.407 3.228 -7.213 1.00 0.00 N ATOM 673 CA PRO A 44 7.770 2.756 -8.538 1.00 0.00 C ATOM 674 C PRO A 44 9.076 3.399 -9.010 1.00 0.00 C ATOM 675 O PRO A 44 9.511 3.172 -10.138 1.00 0.00 O ATOM 676 CB PRO A 44 6.583 3.106 -9.420 1.00 0.00 C ATOM 677 CG PRO A 44 5.801 4.169 -8.664 1.00 0.00 C ATOM 678 CD PRO A 44 6.307 4.188 -7.231 1.00 0.00 C ATOM 0 HA PRO A 44 7.965 1.684 -8.564 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.913 3.480 -10.389 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.965 2.228 -9.610 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.936 5.145 -9.129 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.734 3.948 -8.689 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.646 5.183 -6.944 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.522 3.904 -6.530 1.00 0.00 H new ATOM 686 N THR A 45 9.663 4.189 -8.123 1.00 0.00 N ATOM 687 CA THR A 45 10.910 4.867 -8.435 1.00 0.00 C ATOM 688 C THR A 45 12.020 4.402 -7.491 1.00 0.00 C ATOM 689 O THR A 45 13.021 5.095 -7.315 1.00 0.00 O ATOM 690 CB THR A 45 10.656 6.375 -8.378 1.00 0.00 C ATOM 691 OG1 THR A 45 9.926 6.558 -7.168 1.00 0.00 O ATOM 692 CG2 THR A 45 9.693 6.848 -9.469 1.00 0.00 C ATOM 0 H THR A 45 9.298 4.375 -7.189 1.00 0.00 H new ATOM 0 HA THR A 45 11.255 4.619 -9.439 1.00 0.00 H new ATOM 0 HB THR A 45 11.603 6.907 -8.474 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.798 7.516 -7.005 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.547 7.925 -9.384 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.110 6.615 -10.449 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.735 6.342 -9.353 1.00 0.00 H new ATOM 700 N PHE A 46 11.806 3.231 -6.909 1.00 0.00 N ATOM 701 CA PHE A 46 12.777 2.666 -5.987 1.00 0.00 C ATOM 702 C PHE A 46 13.626 1.595 -6.675 1.00 0.00 C ATOM 703 O PHE A 46 14.563 1.064 -6.080 1.00 0.00 O ATOM 704 CB PHE A 46 11.987 2.019 -4.847 1.00 0.00 C ATOM 705 CG PHE A 46 11.554 2.999 -3.756 1.00 0.00 C ATOM 706 CD1 PHE A 46 11.726 4.337 -3.935 1.00 0.00 C ATOM 707 CD2 PHE A 46 10.997 2.534 -2.606 1.00 0.00 C ATOM 708 CE1 PHE A 46 11.324 5.247 -2.922 1.00 0.00 C ATOM 709 CE2 PHE A 46 10.595 3.444 -1.593 1.00 0.00 C ATOM 710 CZ PHE A 46 10.767 4.781 -1.772 1.00 0.00 C ATOM 0 H PHE A 46 10.975 2.658 -7.058 1.00 0.00 H new ATOM 0 HA PHE A 46 13.447 3.447 -5.626 1.00 0.00 H new ATOM 0 HB2 PHE A 46 11.101 1.537 -5.260 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.595 1.235 -4.396 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.169 4.707 -4.848 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.860 1.472 -2.463 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.460 6.309 -3.065 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.152 3.074 -0.680 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.461 5.473 -1.001 1.00 0.00 H new ATOM 720 N ASP A 47 13.269 1.310 -7.918 1.00 0.00 N ATOM 721 CA ASP A 47 13.987 0.312 -8.693 1.00 0.00 C ATOM 722 C ASP A 47 13.908 -1.037 -7.977 1.00 0.00 C ATOM 723 O ASP A 47 14.824 -1.412 -7.247 1.00 0.00 O ATOM 724 CB ASP A 47 15.464 0.685 -8.837 1.00 0.00 C ATOM 725 CG ASP A 47 15.780 1.647 -9.983 1.00 0.00 C ATOM 726 OD1 ASP A 47 15.749 1.179 -11.142 1.00 0.00 O ATOM 727 OD2 ASP A 47 16.045 2.829 -9.675 1.00 0.00 O ATOM 0 H ASP A 47 12.492 1.753 -8.408 1.00 0.00 H new ATOM 0 HA ASP A 47 13.530 0.259 -9.681 1.00 0.00 H new ATOM 0 HB2 ASP A 47 15.803 1.133 -7.903 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.041 -0.228 -8.980 1.00 0.00 H new ATOM 732 N VAL A 48 12.804 -1.731 -8.212 1.00 0.00 N ATOM 733 CA VAL A 48 12.592 -3.032 -7.599 1.00 0.00 C ATOM 734 C VAL A 48 11.581 -3.824 -8.429 1.00 0.00 C ATOM 735 O VAL A 48 11.789 -5.004 -8.707 1.00 0.00 O ATOM 736 CB VAL A 48 12.164 -2.859 -6.140 1.00 0.00 C ATOM 737 CG1 VAL A 48 13.306 -2.289 -5.297 1.00 0.00 C ATOM 738 CG2 VAL A 48 10.915 -1.981 -6.036 1.00 0.00 C ATOM 0 H VAL A 48 12.046 -1.417 -8.819 1.00 0.00 H new ATOM 0 HA VAL A 48 13.520 -3.604 -7.586 1.00 0.00 H new ATOM 0 HB VAL A 48 11.916 -3.844 -5.745 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.975 -2.176 -4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 48 14.158 -2.968 -5.333 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.600 -1.317 -5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.632 -1.874 -4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.125 -0.998 -6.457 1.00 0.00 H new ATOM 0 HG23 VAL A 48 10.097 -2.445 -6.587 1.00 0.00 H new ATOM 748 N GLY A 49 10.507 -3.144 -8.802 1.00 0.00 N ATOM 749 CA GLY A 49 9.463 -3.769 -9.596 1.00 0.00 C ATOM 750 C GLY A 49 8.076 -3.331 -9.121 1.00 0.00 C ATOM 751 O GLY A 49 7.159 -4.146 -9.033 1.00 0.00 O ATOM 0 H GLY A 49 10.337 -2.166 -8.569 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.592 -3.505 -10.646 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.549 -4.853 -9.527 1.00 0.00 H new ATOM 755 N TRP A 50 7.966 -2.043 -8.827 1.00 0.00 N ATOM 756 CA TRP A 50 6.707 -1.486 -8.363 1.00 0.00 C ATOM 757 C TRP A 50 6.090 -0.690 -9.514 1.00 0.00 C ATOM 758 O TRP A 50 6.723 0.213 -10.059 1.00 0.00 O ATOM 759 CB TRP A 50 6.910 -0.649 -7.099 1.00 0.00 C ATOM 760 CG TRP A 50 5.631 0.007 -6.574 1.00 0.00 C ATOM 761 CD1 TRP A 50 5.095 1.179 -6.940 1.00 0.00 C ATOM 762 CD2 TRP A 50 4.744 -0.524 -5.567 1.00 0.00 C ATOM 763 NE1 TRP A 50 3.932 1.442 -6.245 1.00 0.00 N ATOM 764 CE2 TRP A 50 3.712 0.373 -5.383 1.00 0.00 C ATOM 765 CE3 TRP A 50 4.812 -1.722 -4.835 1.00 0.00 C ATOM 766 CZ2 TRP A 50 2.669 0.167 -4.472 1.00 0.00 C ATOM 767 CZ3 TRP A 50 3.762 -1.914 -3.928 1.00 0.00 C ATOM 768 CH2 TRP A 50 2.716 -1.020 -3.732 1.00 0.00 C ATOM 0 H TRP A 50 8.729 -1.370 -8.901 1.00 0.00 H new ATOM 0 HA TRP A 50 6.016 -2.279 -8.078 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.327 -1.285 -6.318 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.646 0.128 -7.305 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.520 1.835 -7.685 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.342 2.268 -6.345 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.611 -2.438 -4.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.872 0.885 -4.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.765 -2.820 -3.340 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.942 -1.240 -3.011 1.00 0.00 H new ATOM 779 N PRO A 51 4.829 -1.064 -9.860 1.00 0.00 N ATOM 780 CA PRO A 51 4.119 -0.394 -10.937 1.00 0.00 C ATOM 781 C PRO A 51 3.626 0.985 -10.495 1.00 0.00 C ATOM 782 O PRO A 51 3.641 1.302 -9.306 1.00 0.00 O ATOM 783 CB PRO A 51 2.987 -1.339 -11.308 1.00 0.00 C ATOM 784 CG PRO A 51 2.823 -2.279 -10.125 1.00 0.00 C ATOM 785 CD PRO A 51 4.048 -2.129 -9.238 1.00 0.00 C ATOM 0 HA PRO A 51 4.754 -0.195 -11.800 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.066 -0.789 -11.500 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.223 -1.893 -12.217 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.917 -2.038 -9.569 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.723 -3.309 -10.467 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.768 -1.870 -8.217 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.616 -3.058 -9.187 1.00 0.00 H new ATOM 793 N PRO A 52 3.189 1.789 -11.501 1.00 0.00 N ATOM 794 CA PRO A 52 2.693 3.127 -11.228 1.00 0.00 C ATOM 795 C PRO A 52 1.292 3.077 -10.613 1.00 0.00 C ATOM 796 O PRO A 52 0.959 3.890 -9.752 1.00 0.00 O ATOM 797 CB PRO A 52 2.727 3.841 -12.569 1.00 0.00 C ATOM 798 CG PRO A 52 2.799 2.747 -13.622 1.00 0.00 C ATOM 799 CD PRO A 52 3.156 1.447 -12.920 1.00 0.00 C ATOM 0 HA PRO A 52 3.299 3.658 -10.494 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.838 4.457 -12.706 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.589 4.505 -12.636 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.844 2.652 -14.139 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.547 2.992 -14.376 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.418 0.671 -13.123 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.120 1.066 -13.258 1.00 0.00 H new ATOM 807 N GLU A 53 0.510 2.115 -11.079 1.00 0.00 N ATOM 808 CA GLU A 53 -0.847 1.949 -10.586 1.00 0.00 C ATOM 809 C GLU A 53 -0.833 1.292 -9.204 1.00 0.00 C ATOM 810 O GLU A 53 -1.770 1.458 -8.425 1.00 0.00 O ATOM 811 CB GLU A 53 -1.692 1.137 -11.570 1.00 0.00 C ATOM 812 CG GLU A 53 -2.153 2.005 -12.743 1.00 0.00 C ATOM 813 CD GLU A 53 -3.252 2.976 -12.307 1.00 0.00 C ATOM 814 OE1 GLU A 53 -3.478 3.065 -11.081 1.00 0.00 O ATOM 815 OE2 GLU A 53 -3.842 3.608 -13.211 1.00 0.00 O ATOM 0 H GLU A 53 0.790 1.442 -11.793 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.302 2.935 -10.494 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.112 0.293 -11.943 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.560 0.724 -11.055 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.306 2.564 -13.142 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.523 1.369 -13.548 1.00 0.00 H new ATOM 822 N GLY A 54 0.241 0.562 -8.943 1.00 0.00 N ATOM 823 CA GLY A 54 0.390 -0.120 -7.668 1.00 0.00 C ATOM 824 C GLY A 54 0.192 -1.629 -7.827 1.00 0.00 C ATOM 825 O GLY A 54 -0.151 -2.103 -8.909 1.00 0.00 O ATOM 0 H GLY A 54 1.016 0.428 -9.592 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.380 0.079 -7.258 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.335 0.272 -6.955 1.00 0.00 H new ATOM 829 N THR A 55 0.418 -2.342 -6.733 1.00 0.00 N ATOM 830 CA THR A 55 0.269 -3.787 -6.738 1.00 0.00 C ATOM 831 C THR A 55 -0.004 -4.299 -5.322 1.00 0.00 C ATOM 832 O THR A 55 0.457 -3.711 -4.346 1.00 0.00 O ATOM 833 CB THR A 55 1.525 -4.390 -7.370 1.00 0.00 C ATOM 834 OG1 THR A 55 1.202 -5.768 -7.538 1.00 0.00 O ATOM 835 CG2 THR A 55 2.717 -4.400 -6.411 1.00 0.00 C ATOM 0 H THR A 55 0.703 -1.946 -5.837 1.00 0.00 H new ATOM 0 HA THR A 55 -0.591 -4.094 -7.333 1.00 0.00 H new ATOM 0 HB THR A 55 1.786 -3.827 -8.266 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.962 -6.235 -7.944 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.582 -4.838 -6.910 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.951 -3.379 -6.110 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.469 -4.990 -5.529 1.00 0.00 H new ATOM 843 N PHE A 56 -0.753 -5.391 -5.257 1.00 0.00 N ATOM 844 CA PHE A 56 -1.093 -5.989 -3.977 1.00 0.00 C ATOM 845 C PHE A 56 -0.331 -7.299 -3.765 1.00 0.00 C ATOM 846 O PHE A 56 -0.884 -8.264 -3.240 1.00 0.00 O ATOM 847 CB PHE A 56 -2.594 -6.284 -4.006 1.00 0.00 C ATOM 848 CG PHE A 56 -3.475 -5.051 -3.794 1.00 0.00 C ATOM 849 CD1 PHE A 56 -3.311 -4.281 -2.686 1.00 0.00 C ATOM 850 CD2 PHE A 56 -4.422 -4.726 -4.715 1.00 0.00 C ATOM 851 CE1 PHE A 56 -4.128 -3.136 -2.490 1.00 0.00 C ATOM 852 CE2 PHE A 56 -5.239 -3.582 -4.519 1.00 0.00 C ATOM 853 CZ PHE A 56 -5.075 -2.811 -3.410 1.00 0.00 C ATOM 0 H PHE A 56 -1.133 -5.876 -6.069 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.828 -5.310 -3.166 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.846 -6.738 -4.965 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.824 -7.019 -3.235 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.560 -4.540 -1.955 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.552 -5.338 -5.595 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.997 -2.523 -1.610 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.991 -3.324 -5.250 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.697 -1.941 -3.260 1.00 0.00 H new ATOM 863 N ASP A 57 0.926 -7.290 -4.183 1.00 0.00 N ATOM 864 CA ASP A 57 1.769 -8.466 -4.046 1.00 0.00 C ATOM 865 C ASP A 57 2.630 -8.326 -2.789 1.00 0.00 C ATOM 866 O ASP A 57 3.574 -7.538 -2.764 1.00 0.00 O ATOM 867 CB ASP A 57 2.705 -8.616 -5.246 1.00 0.00 C ATOM 868 CG ASP A 57 3.394 -9.977 -5.362 1.00 0.00 C ATOM 869 OD1 ASP A 57 3.172 -10.805 -4.453 1.00 0.00 O ATOM 870 OD2 ASP A 57 4.129 -10.158 -6.358 1.00 0.00 O ATOM 0 H ASP A 57 1.381 -6.487 -4.617 1.00 0.00 H new ATOM 0 HA ASP A 57 1.121 -9.340 -3.983 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.135 -8.435 -6.157 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.470 -7.842 -5.190 1.00 0.00 H new ATOM 875 N LEU A 58 2.274 -9.103 -1.777 1.00 0.00 N ATOM 876 CA LEU A 58 3.003 -9.075 -0.520 1.00 0.00 C ATOM 877 C LEU A 58 4.506 -9.104 -0.806 1.00 0.00 C ATOM 878 O LEU A 58 5.272 -8.363 -0.192 1.00 0.00 O ATOM 879 CB LEU A 58 2.530 -10.204 0.398 1.00 0.00 C ATOM 880 CG LEU A 58 2.569 -9.909 1.899 1.00 0.00 C ATOM 881 CD1 LEU A 58 3.362 -10.982 2.649 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.111 -8.504 2.168 1.00 0.00 C ATOM 0 H LEU A 58 1.491 -9.756 -1.802 1.00 0.00 H new ATOM 0 HA LEU A 58 2.799 -8.150 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.507 -10.463 0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.144 -11.084 0.205 1.00 0.00 H new ATOM 0 HG LEU A 58 1.548 -9.939 2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.374 -10.748 3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.893 -11.954 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.384 -11.009 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.128 -8.320 3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.122 -8.422 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.469 -7.768 1.684 1.00 0.00 H new ATOM 894 N THR A 59 4.882 -9.966 -1.739 1.00 0.00 N ATOM 895 CA THR A 59 6.279 -10.100 -2.114 1.00 0.00 C ATOM 896 C THR A 59 6.847 -8.748 -2.548 1.00 0.00 C ATOM 897 O THR A 59 7.871 -8.305 -2.030 1.00 0.00 O ATOM 898 CB THR A 59 6.377 -11.176 -3.197 1.00 0.00 C ATOM 899 OG1 THR A 59 5.976 -12.373 -2.535 1.00 0.00 O ATOM 900 CG2 THR A 59 7.821 -11.451 -3.622 1.00 0.00 C ATOM 0 H THR A 59 4.243 -10.579 -2.246 1.00 0.00 H new ATOM 0 HA THR A 59 6.887 -10.415 -1.266 1.00 0.00 H new ATOM 0 HB THR A 59 5.796 -10.869 -4.066 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.009 -13.122 -3.166 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.833 -12.222 -4.392 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.264 -10.537 -4.017 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.396 -11.790 -2.760 1.00 0.00 H new ATOM 908 N VAL A 60 6.158 -8.129 -3.495 1.00 0.00 N ATOM 909 CA VAL A 60 6.581 -6.835 -4.005 1.00 0.00 C ATOM 910 C VAL A 60 6.543 -5.808 -2.871 1.00 0.00 C ATOM 911 O VAL A 60 7.454 -4.993 -2.737 1.00 0.00 O ATOM 912 CB VAL A 60 5.716 -6.437 -5.202 1.00 0.00 C ATOM 913 CG1 VAL A 60 6.179 -5.104 -5.793 1.00 0.00 C ATOM 914 CG2 VAL A 60 5.712 -7.536 -6.266 1.00 0.00 C ATOM 0 H VAL A 60 5.309 -8.499 -3.923 1.00 0.00 H new ATOM 0 HA VAL A 60 7.609 -6.883 -4.365 1.00 0.00 H new ATOM 0 HB VAL A 60 4.693 -6.310 -4.848 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.548 -4.844 -6.643 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.106 -4.325 -5.034 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.214 -5.192 -6.124 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.090 -7.227 -7.106 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.730 -7.710 -6.614 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.313 -8.456 -5.838 1.00 0.00 H new ATOM 924 N ILE A 61 5.479 -5.881 -2.085 1.00 0.00 N ATOM 925 CA ILE A 61 5.310 -4.967 -0.968 1.00 0.00 C ATOM 926 C ILE A 61 6.539 -5.046 -0.060 1.00 0.00 C ATOM 927 O ILE A 61 6.991 -4.032 0.469 1.00 0.00 O ATOM 928 CB ILE A 61 3.992 -5.245 -0.243 1.00 0.00 C ATOM 929 CG1 ILE A 61 2.799 -4.760 -1.070 1.00 0.00 C ATOM 930 CG2 ILE A 61 4.000 -4.639 1.162 1.00 0.00 C ATOM 931 CD1 ILE A 61 1.477 -5.108 -0.382 1.00 0.00 C ATOM 0 H ILE A 61 4.725 -6.559 -2.199 1.00 0.00 H new ATOM 0 HA ILE A 61 5.241 -3.939 -1.324 1.00 0.00 H new ATOM 0 HB ILE A 61 3.887 -6.324 -0.127 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.866 -3.682 -1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.829 -5.215 -2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.051 -4.851 1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.815 -5.073 1.741 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.139 -3.560 1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.646 -4.752 -0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.403 -6.189 -0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.440 -4.631 0.597 1.00 0.00 H new ATOM 943 N PHE A 62 7.046 -6.261 0.092 1.00 0.00 N ATOM 944 CA PHE A 62 8.214 -6.486 0.927 1.00 0.00 C ATOM 945 C PHE A 62 9.455 -5.827 0.322 1.00 0.00 C ATOM 946 O PHE A 62 10.394 -5.486 1.040 1.00 0.00 O ATOM 947 CB PHE A 62 8.434 -7.998 0.991 1.00 0.00 C ATOM 948 CG PHE A 62 7.976 -8.639 2.303 1.00 0.00 C ATOM 949 CD1 PHE A 62 6.657 -8.641 2.635 1.00 0.00 C ATOM 950 CD2 PHE A 62 8.888 -9.207 3.137 1.00 0.00 C ATOM 951 CE1 PHE A 62 6.233 -9.235 3.852 1.00 0.00 C ATOM 952 CE2 PHE A 62 8.464 -9.802 4.354 1.00 0.00 C ATOM 953 CZ PHE A 62 7.145 -9.803 4.686 1.00 0.00 C ATOM 0 H PHE A 62 6.669 -7.100 -0.349 1.00 0.00 H new ATOM 0 HA PHE A 62 8.053 -6.057 1.916 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.901 -8.468 0.164 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.494 -8.207 0.847 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.933 -8.191 1.973 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.935 -9.205 2.873 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.186 -9.236 4.116 1.00 0.00 H new ATOM 0 HE2 PHE A 62 9.188 -10.254 5.016 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.822 -10.255 5.612 1.00 0.00 H new ATOM 963 N GLU A 63 9.419 -5.667 -0.993 1.00 0.00 N ATOM 964 CA GLU A 63 10.530 -5.055 -1.703 1.00 0.00 C ATOM 965 C GLU A 63 10.594 -3.557 -1.397 1.00 0.00 C ATOM 966 O GLU A 63 11.646 -3.041 -1.023 1.00 0.00 O ATOM 967 CB GLU A 63 10.421 -5.303 -3.209 1.00 0.00 C ATOM 968 CG GLU A 63 10.501 -6.798 -3.525 1.00 0.00 C ATOM 969 CD GLU A 63 10.394 -7.046 -5.031 1.00 0.00 C ATOM 970 OE1 GLU A 63 9.391 -6.580 -5.613 1.00 0.00 O ATOM 971 OE2 GLU A 63 11.318 -7.696 -5.567 1.00 0.00 O ATOM 0 H GLU A 63 8.638 -5.950 -1.585 1.00 0.00 H new ATOM 0 HA GLU A 63 11.455 -5.516 -1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.479 -4.899 -3.581 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.221 -4.775 -3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.442 -7.202 -3.152 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.700 -7.326 -3.008 1.00 0.00 H new ATOM 978 N VAL A 64 9.456 -2.901 -1.568 1.00 0.00 N ATOM 979 CA VAL A 64 9.370 -1.473 -1.315 1.00 0.00 C ATOM 980 C VAL A 64 9.369 -1.226 0.195 1.00 0.00 C ATOM 981 O VAL A 64 9.953 -0.252 0.668 1.00 0.00 O ATOM 982 CB VAL A 64 8.141 -0.891 -2.016 1.00 0.00 C ATOM 983 CG1 VAL A 64 7.782 0.482 -1.443 1.00 0.00 C ATOM 984 CG2 VAL A 64 8.357 -0.814 -3.529 1.00 0.00 C ATOM 0 H VAL A 64 8.585 -3.332 -1.879 1.00 0.00 H new ATOM 0 HA VAL A 64 10.238 -0.959 -1.728 1.00 0.00 H new ATOM 0 HB VAL A 64 7.302 -1.561 -1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.905 0.873 -1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.565 0.387 -0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.620 1.165 -1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.468 -0.397 -4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.215 -0.176 -3.742 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.542 -1.814 -3.922 1.00 0.00 H new ATOM 994 N LYS A 65 8.708 -2.125 0.909 1.00 0.00 N ATOM 995 CA LYS A 65 8.625 -2.017 2.356 1.00 0.00 C ATOM 996 C LYS A 65 10.032 -2.093 2.951 1.00 0.00 C ATOM 997 O LYS A 65 10.395 -1.283 3.802 1.00 0.00 O ATOM 998 CB LYS A 65 7.662 -3.065 2.917 1.00 0.00 C ATOM 999 CG LYS A 65 7.676 -3.060 4.447 1.00 0.00 C ATOM 1000 CD LYS A 65 7.149 -4.384 5.005 1.00 0.00 C ATOM 1001 CE LYS A 65 7.896 -4.777 6.281 1.00 0.00 C ATOM 1002 NZ LYS A 65 8.457 -6.141 6.154 1.00 0.00 N ATOM 0 H LYS A 65 8.225 -2.931 0.513 1.00 0.00 H new ATOM 0 HA LYS A 65 8.210 -1.051 2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.652 -2.865 2.558 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.941 -4.053 2.551 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.692 -2.889 4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.065 -2.237 4.817 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.083 -4.295 5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.262 -5.169 4.257 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.698 -4.064 6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.219 -4.734 7.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.961 -6.392 7.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.686 -6.820 5.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.119 -6.171 5.353 1.00 0.00 H new ATOM 1016 N ALA A 66 10.787 -3.075 2.479 1.00 0.00 N ATOM 1017 CA ALA A 66 12.146 -3.267 2.954 1.00 0.00 C ATOM 1018 C ALA A 66 12.962 -2.002 2.681 1.00 0.00 C ATOM 1019 O ALA A 66 13.956 -1.742 3.357 1.00 0.00 O ATOM 1020 CB ALA A 66 12.750 -4.505 2.287 1.00 0.00 C ATOM 0 H ALA A 66 10.483 -3.745 1.773 1.00 0.00 H new ATOM 0 HA ALA A 66 12.155 -3.439 4.030 1.00 0.00 H new ATOM 0 HB1 ALA A 66 13.770 -4.649 2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 66 12.151 -5.381 2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.760 -4.368 1.206 1.00 0.00 H new ATOM 1026 N ILE A 67 12.510 -1.248 1.690 1.00 0.00 N ATOM 1027 CA ILE A 67 13.185 -0.016 1.319 1.00 0.00 C ATOM 1028 C ILE A 67 12.779 1.095 2.290 1.00 0.00 C ATOM 1029 O ILE A 67 13.605 1.921 2.676 1.00 0.00 O ATOM 1030 CB ILE A 67 12.917 0.322 -0.149 1.00 0.00 C ATOM 1031 CG1 ILE A 67 13.524 -0.735 -1.074 1.00 0.00 C ATOM 1032 CG2 ILE A 67 13.409 1.730 -0.487 1.00 0.00 C ATOM 1033 CD1 ILE A 67 12.896 -0.670 -2.468 1.00 0.00 C ATOM 0 H ILE A 67 11.684 -1.467 1.132 1.00 0.00 H new ATOM 0 HA ILE A 67 14.265 -0.134 1.402 1.00 0.00 H new ATOM 0 HB ILE A 67 11.839 0.311 -0.311 1.00 0.00 H new ATOM 0 HG12 ILE A 67 14.601 -0.583 -1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.371 -1.727 -0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 67 13.206 1.944 -1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 67 12.890 2.457 0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 67 14.482 1.794 -0.304 1.00 0.00 H new ATOM 0 HD11 ILE A 67 13.345 -1.432 -3.105 1.00 0.00 H new ATOM 0 HD12 ILE A 67 11.823 -0.847 -2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 67 13.072 0.315 -2.901 1.00 0.00 H new ATOM 1045 N VAL A 68 11.505 1.080 2.656 1.00 0.00 N ATOM 1046 CA VAL A 68 10.979 2.076 3.574 1.00 0.00 C ATOM 1047 C VAL A 68 11.363 1.697 5.006 1.00 0.00 C ATOM 1048 O VAL A 68 11.521 2.567 5.861 1.00 0.00 O ATOM 1049 CB VAL A 68 9.469 2.222 3.378 1.00 0.00 C ATOM 1050 CG1 VAL A 68 9.085 2.027 1.910 1.00 0.00 C ATOM 1051 CG2 VAL A 68 8.703 1.251 4.279 1.00 0.00 C ATOM 0 H VAL A 68 10.822 0.394 2.333 1.00 0.00 H new ATOM 0 HA VAL A 68 11.416 3.053 3.369 1.00 0.00 H new ATOM 0 HB VAL A 68 9.190 3.236 3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.006 2.136 1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.590 2.775 1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.385 1.031 1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.632 1.375 4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.989 0.227 4.037 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.941 1.458 5.322 1.00 0.00 H new ATOM 1061 N PHE A 69 11.501 0.397 5.223 1.00 0.00 N ATOM 1062 CA PHE A 69 11.863 -0.108 6.536 1.00 0.00 C ATOM 1063 C PHE A 69 13.356 -0.434 6.606 1.00 0.00 C ATOM 1064 O PHE A 69 13.773 -1.286 7.389 1.00 0.00 O ATOM 1065 CB PHE A 69 11.062 -1.392 6.758 1.00 0.00 C ATOM 1066 CG PHE A 69 9.684 -1.166 7.384 1.00 0.00 C ATOM 1067 CD1 PHE A 69 8.603 -0.950 6.587 1.00 0.00 C ATOM 1068 CD2 PHE A 69 9.540 -1.180 8.736 1.00 0.00 C ATOM 1069 CE1 PHE A 69 7.324 -0.740 7.168 1.00 0.00 C ATOM 1070 CE2 PHE A 69 8.262 -0.970 9.317 1.00 0.00 C ATOM 1071 CZ PHE A 69 7.180 -0.755 8.520 1.00 0.00 C ATOM 0 H PHE A 69 11.369 -0.322 4.511 1.00 0.00 H new ATOM 0 HA PHE A 69 11.647 0.643 7.296 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.936 -1.899 5.802 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.636 -2.060 7.400 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.717 -0.938 5.513 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.399 -1.351 9.368 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.465 -0.568 6.536 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.148 -0.981 10.391 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.207 -0.596 8.961 1.00 0.00 H new ATOM 1081 N GLN A 70 14.120 0.262 5.777 1.00 0.00 N ATOM 1082 CA GLN A 70 15.558 0.057 5.734 1.00 0.00 C ATOM 1083 C GLN A 70 16.146 0.127 7.145 1.00 0.00 C ATOM 1084 O GLN A 70 15.415 0.304 8.118 1.00 0.00 O ATOM 1085 CB GLN A 70 16.230 1.073 4.809 1.00 0.00 C ATOM 1086 CG GLN A 70 16.154 0.620 3.350 1.00 0.00 C ATOM 1087 CD GLN A 70 16.741 1.680 2.415 1.00 0.00 C ATOM 1088 OE1 GLN A 70 17.430 2.598 2.830 1.00 0.00 O ATOM 1089 NE2 GLN A 70 16.431 1.503 1.134 1.00 0.00 N ATOM 0 H GLN A 70 13.770 0.969 5.130 1.00 0.00 H new ATOM 0 HA GLN A 70 15.752 -0.936 5.329 1.00 0.00 H new ATOM 0 HB2 GLN A 70 15.747 2.044 4.918 1.00 0.00 H new ATOM 0 HB3 GLN A 70 17.273 1.201 5.100 1.00 0.00 H new ATOM 0 HG2 GLN A 70 16.696 -0.318 3.228 1.00 0.00 H new ATOM 0 HG3 GLN A 70 15.116 0.426 3.079 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.850 0.713 0.854 1.00 0.00 H new ATOM 0 HE22 GLN A 70 16.775 2.157 0.431 1.00 0.00 H new ATOM 1149 N HIS A 76 12.231 4.843 5.220 1.00 0.00 N ATOM 1150 CA HIS A 76 11.197 5.863 5.164 1.00 0.00 C ATOM 1151 C HIS A 76 10.189 5.634 6.292 1.00 0.00 C ATOM 1152 O HIS A 76 9.315 4.776 6.184 1.00 0.00 O ATOM 1153 CB HIS A 76 10.543 5.898 3.782 1.00 0.00 C ATOM 1154 CG HIS A 76 11.500 5.643 2.642 1.00 0.00 C ATOM 1155 ND1 HIS A 76 12.584 6.461 2.376 1.00 0.00 N ATOM 1156 CD2 HIS A 76 11.525 4.653 1.704 1.00 0.00 C ATOM 1157 CE1 HIS A 76 13.225 5.976 1.323 1.00 0.00 C ATOM 1158 NE2 HIS A 76 12.567 4.856 0.907 1.00 0.00 N ATOM 0 HA HIS A 76 11.642 6.846 5.316 1.00 0.00 H new ATOM 0 HB2 HIS A 76 9.748 5.153 3.749 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.074 6.871 3.638 1.00 0.00 H new ATOM 0 HD1 HIS A 76 12.845 7.295 2.901 1.00 0.00 H new ATOM 0 HD2 HIS A 76 10.817 3.841 1.623 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.113 6.394 0.873 1.00 0.00 H new ATOM 1166 N PRO A 77 10.349 6.438 7.378 1.00 0.00 N ATOM 1167 CA PRO A 77 9.464 6.332 8.525 1.00 0.00 C ATOM 1168 C PRO A 77 8.099 6.953 8.223 1.00 0.00 C ATOM 1169 O PRO A 77 7.183 6.875 9.040 1.00 0.00 O ATOM 1170 CB PRO A 77 10.199 7.033 9.655 1.00 0.00 C ATOM 1171 CG PRO A 77 11.250 7.906 8.990 1.00 0.00 C ATOM 1172 CD PRO A 77 11.374 7.465 7.541 1.00 0.00 C ATOM 0 HA PRO A 77 9.243 5.299 8.792 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.514 7.634 10.253 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.660 6.311 10.328 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.965 8.956 9.046 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.207 7.808 9.502 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.212 8.299 6.858 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.368 7.070 7.331 1.00 0.00 H new ATOM 1180 N ASP A 78 8.005 7.556 7.046 1.00 0.00 N ATOM 1181 CA ASP A 78 6.768 8.190 6.626 1.00 0.00 C ATOM 1182 C ASP A 78 5.913 7.176 5.863 1.00 0.00 C ATOM 1183 O ASP A 78 4.695 7.136 6.028 1.00 0.00 O ATOM 1184 CB ASP A 78 7.043 9.372 5.695 1.00 0.00 C ATOM 1185 CG ASP A 78 6.667 10.743 6.262 1.00 0.00 C ATOM 1186 OD1 ASP A 78 6.406 10.800 7.483 1.00 0.00 O ATOM 1187 OD2 ASP A 78 6.649 11.702 5.461 1.00 0.00 O ATOM 0 H ASP A 78 8.767 7.618 6.370 1.00 0.00 H new ATOM 0 HA ASP A 78 6.252 8.546 7.518 1.00 0.00 H new ATOM 0 HB2 ASP A 78 8.104 9.378 5.444 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.496 9.218 4.765 1.00 0.00 H new ATOM 1192 N GLN A 79 6.586 6.381 5.044 1.00 0.00 N ATOM 1193 CA GLN A 79 5.904 5.369 4.255 1.00 0.00 C ATOM 1194 C GLN A 79 5.787 4.067 5.048 1.00 0.00 C ATOM 1195 O GLN A 79 4.991 3.195 4.703 1.00 0.00 O ATOM 1196 CB GLN A 79 6.621 5.137 2.923 1.00 0.00 C ATOM 1197 CG GLN A 79 6.728 6.438 2.124 1.00 0.00 C ATOM 1198 CD GLN A 79 7.715 6.289 0.964 1.00 0.00 C ATOM 1199 OE1 GLN A 79 7.549 5.470 0.076 1.00 0.00 O ATOM 1200 NE2 GLN A 79 8.748 7.125 1.023 1.00 0.00 N ATOM 0 H GLN A 79 7.596 6.417 4.910 1.00 0.00 H new ATOM 0 HA GLN A 79 4.899 5.727 4.032 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.618 4.736 3.107 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.080 4.391 2.340 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.747 6.714 1.738 1.00 0.00 H new ATOM 0 HG3 GLN A 79 7.051 7.246 2.780 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.825 7.786 1.796 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.463 7.105 0.296 1.00 0.00 H new ATOM 1209 N GLN A 80 6.592 3.975 6.097 1.00 0.00 N ATOM 1210 CA GLN A 80 6.588 2.793 6.942 1.00 0.00 C ATOM 1211 C GLN A 80 5.156 2.426 7.335 1.00 0.00 C ATOM 1212 O GLN A 80 4.751 1.272 7.210 1.00 0.00 O ATOM 1213 CB GLN A 80 7.460 3.004 8.182 1.00 0.00 C ATOM 1214 CG GLN A 80 8.828 2.339 8.009 1.00 0.00 C ATOM 1215 CD GLN A 80 9.852 2.934 8.977 1.00 0.00 C ATOM 1216 OE1 GLN A 80 9.607 3.091 10.162 1.00 0.00 O ATOM 1217 NE2 GLN A 80 11.011 3.254 8.409 1.00 0.00 N ATOM 0 H GLN A 80 7.251 4.700 6.381 1.00 0.00 H new ATOM 0 HA GLN A 80 7.012 1.964 6.376 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.590 4.071 8.362 1.00 0.00 H new ATOM 0 HB3 GLN A 80 6.959 2.592 9.058 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.740 1.266 8.181 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.173 2.470 6.983 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.151 3.096 7.411 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.760 3.657 8.971 1.00 0.00 H new ATOM 1226 N PRO A 81 4.410 3.457 7.815 1.00 0.00 N ATOM 1227 CA PRO A 81 3.031 3.254 8.227 1.00 0.00 C ATOM 1228 C PRO A 81 2.112 3.108 7.013 1.00 0.00 C ATOM 1229 O PRO A 81 1.021 2.549 7.119 1.00 0.00 O ATOM 1230 CB PRO A 81 2.695 4.463 9.084 1.00 0.00 C ATOM 1231 CG PRO A 81 3.733 5.519 8.741 1.00 0.00 C ATOM 1232 CD PRO A 81 4.856 4.837 7.977 1.00 0.00 C ATOM 0 HA PRO A 81 2.892 2.332 8.791 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.688 4.823 8.874 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.729 4.212 10.144 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.288 6.311 8.139 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.117 5.986 9.648 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.025 5.314 7.012 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.796 4.887 8.526 1.00 0.00 H new ATOM 1240 N TYR A 82 2.586 3.619 5.886 1.00 0.00 N ATOM 1241 CA TYR A 82 1.820 3.552 4.653 1.00 0.00 C ATOM 1242 C TYR A 82 1.929 2.166 4.015 1.00 0.00 C ATOM 1243 O TYR A 82 0.919 1.568 3.646 1.00 0.00 O ATOM 1244 CB TYR A 82 2.445 4.585 3.712 1.00 0.00 C ATOM 1245 CG TYR A 82 2.113 6.035 4.071 1.00 0.00 C ATOM 1246 CD1 TYR A 82 2.350 6.502 5.348 1.00 0.00 C ATOM 1247 CD2 TYR A 82 1.576 6.875 3.117 1.00 0.00 C ATOM 1248 CE1 TYR A 82 2.038 7.866 5.685 1.00 0.00 C ATOM 1249 CE2 TYR A 82 1.263 8.240 3.455 1.00 0.00 C ATOM 1250 CZ TYR A 82 1.510 8.668 4.722 1.00 0.00 C ATOM 1251 OH TYR A 82 1.215 9.957 5.040 1.00 0.00 O ATOM 0 H TYR A 82 3.491 4.081 5.801 1.00 0.00 H new ATOM 0 HA TYR A 82 0.765 3.746 4.845 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.528 4.459 3.718 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.107 4.387 2.695 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.770 5.844 6.094 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.391 6.509 2.118 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.219 8.244 6.680 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.842 8.908 2.719 1.00 0.00 H new ATOM 0 HH TYR A 82 1.959 10.538 4.776 1.00 0.00 H new ATOM 1261 N ILE A 83 3.163 1.696 3.903 1.00 0.00 N ATOM 1262 CA ILE A 83 3.416 0.392 3.316 1.00 0.00 C ATOM 1263 C ILE A 83 2.826 -0.693 4.219 1.00 0.00 C ATOM 1264 O ILE A 83 2.300 -1.692 3.732 1.00 0.00 O ATOM 1265 CB ILE A 83 4.910 0.213 3.034 1.00 0.00 C ATOM 1266 CG1 ILE A 83 5.153 -0.977 2.103 1.00 0.00 C ATOM 1267 CG2 ILE A 83 5.703 0.092 4.337 1.00 0.00 C ATOM 1268 CD1 ILE A 83 4.298 -0.867 0.839 1.00 0.00 C ATOM 0 H ILE A 83 3.998 2.195 4.209 1.00 0.00 H new ATOM 0 HA ILE A 83 2.920 0.306 2.349 1.00 0.00 H new ATOM 0 HB ILE A 83 5.270 1.104 2.519 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.207 -1.021 1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.920 -1.905 2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.761 -0.034 4.108 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.565 0.995 4.932 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.348 -0.771 4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.490 -1.725 0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.243 -0.848 1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.551 0.050 0.307 1.00 0.00 H new ATOM 1280 N THR A 84 2.935 -0.459 5.519 1.00 0.00 N ATOM 1281 CA THR A 84 2.418 -1.404 6.494 1.00 0.00 C ATOM 1282 C THR A 84 0.975 -1.783 6.158 1.00 0.00 C ATOM 1283 O THR A 84 0.611 -2.957 6.201 1.00 0.00 O ATOM 1284 CB THR A 84 2.575 -0.783 7.883 1.00 0.00 C ATOM 1285 OG1 THR A 84 3.966 -0.909 8.165 1.00 0.00 O ATOM 1286 CG2 THR A 84 1.897 -1.612 8.976 1.00 0.00 C ATOM 0 H THR A 84 3.373 0.371 5.919 1.00 0.00 H new ATOM 0 HA THR A 84 2.979 -2.339 6.474 1.00 0.00 H new ATOM 0 HB THR A 84 2.157 0.224 7.879 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.397 -0.032 8.084 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.039 -1.127 9.942 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.831 -1.692 8.763 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.338 -2.609 9.003 1.00 0.00 H new ATOM 1294 N VAL A 85 0.191 -0.767 5.830 1.00 0.00 N ATOM 1295 CA VAL A 85 -1.205 -0.978 5.486 1.00 0.00 C ATOM 1296 C VAL A 85 -1.290 -1.816 4.209 1.00 0.00 C ATOM 1297 O VAL A 85 -2.140 -2.698 4.096 1.00 0.00 O ATOM 1298 CB VAL A 85 -1.924 0.367 5.367 1.00 0.00 C ATOM 1299 CG1 VAL A 85 -3.312 0.193 4.747 1.00 0.00 C ATOM 1300 CG2 VAL A 85 -2.014 1.063 6.726 1.00 0.00 C ATOM 0 H VAL A 85 0.496 0.206 5.795 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.713 -1.534 6.274 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.338 1.003 4.704 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.802 1.164 4.674 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.214 -0.240 3.752 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.910 -0.469 5.374 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.529 2.017 6.613 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.567 0.432 7.422 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.010 1.237 7.113 1.00 0.00 H new ATOM 1310 N TRP A 86 -0.397 -1.512 3.279 1.00 0.00 N ATOM 1311 CA TRP A 86 -0.360 -2.226 2.014 1.00 0.00 C ATOM 1312 C TRP A 86 -0.162 -3.713 2.316 1.00 0.00 C ATOM 1313 O TRP A 86 -0.862 -4.560 1.764 1.00 0.00 O ATOM 1314 CB TRP A 86 0.720 -1.655 1.093 1.00 0.00 C ATOM 1315 CG TRP A 86 0.260 -0.454 0.264 1.00 0.00 C ATOM 1316 CD1 TRP A 86 0.356 0.847 0.572 1.00 0.00 C ATOM 1317 CD2 TRP A 86 -0.377 -0.496 -1.031 1.00 0.00 C ATOM 1318 NE1 TRP A 86 -0.170 1.642 -0.425 1.00 0.00 N ATOM 1319 CE2 TRP A 86 -0.630 0.800 -1.431 1.00 0.00 C ATOM 1320 CE3 TRP A 86 -0.727 -1.594 -1.837 1.00 0.00 C ATOM 1321 CZ2 TRP A 86 -1.244 1.121 -2.648 1.00 0.00 C ATOM 1322 CZ3 TRP A 86 -1.340 -1.256 -3.050 1.00 0.00 C ATOM 1323 CH2 TRP A 86 -1.602 0.044 -3.467 1.00 0.00 C ATOM 0 H TRP A 86 0.307 -0.780 3.376 1.00 0.00 H new ATOM 0 HA TRP A 86 -1.299 -2.102 1.474 1.00 0.00 H new ATOM 0 HB2 TRP A 86 1.578 -1.360 1.696 1.00 0.00 H new ATOM 0 HB3 TRP A 86 1.060 -2.441 0.418 1.00 0.00 H new ATOM 0 HD1 TRP A 86 0.790 1.225 1.486 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -0.213 2.661 -0.424 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -0.538 -2.616 -1.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -1.431 2.144 -2.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -1.630 -2.062 -3.708 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -2.080 0.222 -4.419 1.00 0.00 H new ATOM 1334 N GLN A 87 0.793 -3.984 3.193 1.00 0.00 N ATOM 1335 CA GLN A 87 1.092 -5.354 3.575 1.00 0.00 C ATOM 1336 C GLN A 87 -0.146 -6.016 4.185 1.00 0.00 C ATOM 1337 O GLN A 87 -0.385 -7.204 3.976 1.00 0.00 O ATOM 1338 CB GLN A 87 2.275 -5.407 4.543 1.00 0.00 C ATOM 1339 CG GLN A 87 2.419 -6.801 5.157 1.00 0.00 C ATOM 1340 CD GLN A 87 1.961 -6.807 6.617 1.00 0.00 C ATOM 1341 OE1 GLN A 87 0.990 -6.171 6.992 1.00 0.00 O ATOM 1342 NE2 GLN A 87 2.711 -7.560 7.416 1.00 0.00 N ATOM 0 H GLN A 87 1.370 -3.278 3.650 1.00 0.00 H new ATOM 0 HA GLN A 87 1.373 -5.908 2.679 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.192 -5.141 4.017 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.136 -4.670 5.334 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.830 -7.517 4.584 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.459 -7.123 5.097 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.511 -8.067 7.036 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.487 -7.631 8.408 1.00 0.00 H new ATOM 1351 N ASP A 88 -0.899 -5.218 4.927 1.00 0.00 N ATOM 1352 CA ASP A 88 -2.106 -5.712 5.569 1.00 0.00 C ATOM 1353 C ASP A 88 -3.202 -5.890 4.516 1.00 0.00 C ATOM 1354 O ASP A 88 -4.036 -6.787 4.629 1.00 0.00 O ATOM 1355 CB ASP A 88 -2.616 -4.722 6.619 1.00 0.00 C ATOM 1356 CG ASP A 88 -3.096 -5.357 7.926 1.00 0.00 C ATOM 1357 OD1 ASP A 88 -3.803 -6.383 7.832 1.00 0.00 O ATOM 1358 OD2 ASP A 88 -2.745 -4.801 8.989 1.00 0.00 O ATOM 0 H ASP A 88 -0.697 -4.233 5.098 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.867 -6.660 6.052 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.819 -4.015 6.847 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.437 -4.149 6.188 1.00 0.00 H new ATOM 1363 N LEU A 89 -3.164 -5.022 3.516 1.00 0.00 N ATOM 1364 CA LEU A 89 -4.143 -5.072 2.444 1.00 0.00 C ATOM 1365 C LEU A 89 -4.037 -6.419 1.725 1.00 0.00 C ATOM 1366 O LEU A 89 -5.029 -7.134 1.590 1.00 0.00 O ATOM 1367 CB LEU A 89 -3.985 -3.866 1.516 1.00 0.00 C ATOM 1368 CG LEU A 89 -4.722 -2.594 1.939 1.00 0.00 C ATOM 1369 CD1 LEU A 89 -4.208 -1.379 1.163 1.00 0.00 C ATOM 1370 CD2 LEU A 89 -6.236 -2.765 1.799 1.00 0.00 C ATOM 0 H LEU A 89 -2.470 -4.280 3.426 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.153 -5.004 2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.923 -3.635 1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.331 -4.149 0.522 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.515 -2.414 2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.748 -0.488 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.144 -1.247 1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.366 -1.536 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.736 -1.846 2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.483 -2.983 0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.569 -3.588 2.431 1.00 0.00 H new ATOM 1382 N VAL A 90 -2.826 -6.724 1.283 1.00 0.00 N ATOM 1383 CA VAL A 90 -2.578 -7.972 0.581 1.00 0.00 C ATOM 1384 C VAL A 90 -2.813 -9.144 1.536 1.00 0.00 C ATOM 1385 O VAL A 90 -3.521 -10.092 1.199 1.00 0.00 O ATOM 1386 CB VAL A 90 -1.171 -7.963 -0.020 1.00 0.00 C ATOM 1387 CG1 VAL A 90 -0.951 -6.719 -0.883 1.00 0.00 C ATOM 1388 CG2 VAL A 90 -0.106 -8.067 1.074 1.00 0.00 C ATOM 0 H VAL A 90 -2.006 -6.129 1.397 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.272 -8.087 -0.252 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.076 -8.838 -0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.057 -6.738 -1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.678 -6.707 -1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.075 -5.825 -0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.885 -8.058 0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.200 -7.221 1.755 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.243 -8.996 1.628 1.00 0.00 H new ATOM 1398 N GLN A 91 -2.205 -9.041 2.709 1.00 0.00 N ATOM 1399 CA GLN A 91 -2.339 -10.081 3.715 1.00 0.00 C ATOM 1400 C GLN A 91 -3.813 -10.438 3.916 1.00 0.00 C ATOM 1401 O GLN A 91 -4.179 -11.612 3.903 1.00 0.00 O ATOM 1402 CB GLN A 91 -1.693 -9.654 5.034 1.00 0.00 C ATOM 1403 CG GLN A 91 -0.167 -9.662 4.925 1.00 0.00 C ATOM 1404 CD GLN A 91 0.420 -10.932 5.545 1.00 0.00 C ATOM 1405 OE1 GLN A 91 -0.285 -11.855 5.919 1.00 0.00 O ATOM 1406 NE2 GLN A 91 1.747 -10.927 5.633 1.00 0.00 N ATOM 0 H GLN A 91 -1.619 -8.253 2.985 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.815 -10.970 3.363 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.037 -8.656 5.305 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.008 -10.327 5.832 1.00 0.00 H new ATOM 0 HG2 GLN A 91 0.127 -9.595 3.877 1.00 0.00 H new ATOM 0 HG3 GLN A 91 0.242 -8.785 5.427 1.00 0.00 H new ATOM 0 HE21 GLN A 91 2.277 -10.121 5.301 1.00 0.00 H new ATOM 0 HE22 GLN A 91 2.235 -11.729 6.033 1.00 0.00 H new ATOM 1415 N ASN A 92 -4.620 -9.403 4.098 1.00 0.00 N ATOM 1416 CA ASN A 92 -6.046 -9.593 4.302 1.00 0.00 C ATOM 1417 C ASN A 92 -6.809 -9.014 3.109 1.00 0.00 C ATOM 1418 O ASN A 92 -7.615 -8.099 3.267 1.00 0.00 O ATOM 1419 CB ASN A 92 -6.523 -8.870 5.563 1.00 0.00 C ATOM 1420 CG ASN A 92 -6.268 -9.718 6.811 1.00 0.00 C ATOM 1421 OD1 ASN A 92 -6.798 -10.805 6.974 1.00 0.00 O ATOM 1422 ND2 ASN A 92 -5.429 -9.162 7.681 1.00 0.00 N ATOM 0 H ASN A 92 -4.313 -8.430 4.108 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.232 -10.662 4.406 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.006 -7.915 5.656 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.587 -8.650 5.480 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.195 -9.649 8.546 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.020 -8.249 7.483 1.00 0.00 H new ATOM 1429 N SER A 93 -6.527 -9.572 1.940 1.00 0.00 N ATOM 1430 CA SER A 93 -7.177 -9.123 0.721 1.00 0.00 C ATOM 1431 C SER A 93 -8.639 -8.773 1.005 1.00 0.00 C ATOM 1432 O SER A 93 -9.432 -9.644 1.357 1.00 0.00 O ATOM 1433 CB SER A 93 -7.089 -10.188 -0.374 1.00 0.00 C ATOM 1434 OG SER A 93 -7.955 -11.291 -0.117 1.00 0.00 O ATOM 0 H SER A 93 -5.857 -10.331 1.812 1.00 0.00 H new ATOM 0 HA SER A 93 -6.660 -8.232 0.366 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.345 -9.742 -1.335 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.062 -10.544 -0.452 1.00 0.00 H new ATOM 0 HG SER A 93 -8.625 -11.032 0.550 1.00 0.00 H new ATOM 1440 N PRO A 94 -8.959 -7.462 0.837 1.00 0.00 N ATOM 1441 CA PRO A 94 -10.311 -6.986 1.071 1.00 0.00 C ATOM 1442 C PRO A 94 -11.243 -7.395 -0.072 1.00 0.00 C ATOM 1443 O PRO A 94 -10.782 -7.817 -1.131 1.00 0.00 O ATOM 1444 CB PRO A 94 -10.178 -5.479 1.218 1.00 0.00 C ATOM 1445 CG PRO A 94 -8.837 -5.117 0.602 1.00 0.00 C ATOM 1446 CD PRO A 94 -8.045 -6.402 0.421 1.00 0.00 C ATOM 0 HA PRO A 94 -10.761 -7.422 1.963 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -10.993 -4.964 0.710 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.219 -5.184 2.266 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.979 -4.618 -0.357 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.296 -4.423 1.245 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.733 -6.532 -0.615 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.140 -6.398 1.028 1.00 0.00 H new ATOM 1454 N PRO A 95 -12.570 -7.252 0.189 1.00 0.00 N ATOM 1455 CA PRO A 95 -13.570 -7.602 -0.805 1.00 0.00 C ATOM 1456 C PRO A 95 -13.638 -6.546 -1.910 1.00 0.00 C ATOM 1457 O PRO A 95 -14.052 -6.840 -3.030 1.00 0.00 O ATOM 1458 CB PRO A 95 -14.869 -7.733 -0.027 1.00 0.00 C ATOM 1459 CG PRO A 95 -14.644 -7.001 1.286 1.00 0.00 C ATOM 1460 CD PRO A 95 -13.151 -6.756 1.433 1.00 0.00 C ATOM 0 HA PRO A 95 -13.338 -8.531 -1.326 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.701 -7.297 -0.580 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.116 -8.780 0.147 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.188 -6.057 1.295 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.018 -7.592 2.122 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.936 -5.697 1.576 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.746 -7.283 2.297 1.00 0.00 H new ATOM 1468 N TRP A 96 -13.225 -5.338 -1.556 1.00 0.00 N ATOM 1469 CA TRP A 96 -13.234 -4.237 -2.503 1.00 0.00 C ATOM 1470 C TRP A 96 -11.993 -4.365 -3.390 1.00 0.00 C ATOM 1471 O TRP A 96 -11.851 -3.641 -4.373 1.00 0.00 O ATOM 1472 CB TRP A 96 -13.314 -2.891 -1.779 1.00 0.00 C ATOM 1473 CG TRP A 96 -12.294 -2.731 -0.649 1.00 0.00 C ATOM 1474 CD1 TRP A 96 -12.433 -3.067 0.641 1.00 0.00 C ATOM 1475 CD2 TRP A 96 -10.966 -2.177 -0.762 1.00 0.00 C ATOM 1476 NE1 TRP A 96 -11.296 -2.771 1.365 1.00 0.00 N ATOM 1477 CE2 TRP A 96 -10.376 -2.213 0.485 1.00 0.00 C ATOM 1478 CE3 TRP A 96 -10.286 -1.664 -1.880 1.00 0.00 C ATOM 1479 CZ2 TRP A 96 -9.078 -1.750 0.732 1.00 0.00 C ATOM 1480 CZ3 TRP A 96 -8.990 -1.204 -1.616 1.00 0.00 C ATOM 1481 CH2 TRP A 96 -8.381 -1.234 -0.367 1.00 0.00 C ATOM 0 H TRP A 96 -12.882 -5.098 -0.626 1.00 0.00 H new ATOM 0 HA TRP A 96 -14.121 -4.281 -3.136 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -13.166 -2.091 -2.504 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -14.317 -2.769 -1.370 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -13.322 -3.513 1.061 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -11.156 -2.932 2.362 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -10.728 -1.627 -2.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -8.638 -1.789 1.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.424 -0.797 -2.441 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -7.375 -0.861 -0.245 1.00 0.00 H new ATOM 1492 N ILE A 97 -11.127 -5.293 -3.010 1.00 0.00 N ATOM 1493 CA ILE A 97 -9.904 -5.526 -3.758 1.00 0.00 C ATOM 1494 C ILE A 97 -10.055 -6.801 -4.590 1.00 0.00 C ATOM 1495 O ILE A 97 -10.010 -6.754 -5.818 1.00 0.00 O ATOM 1496 CB ILE A 97 -8.696 -5.545 -2.818 1.00 0.00 C ATOM 1497 CG1 ILE A 97 -8.156 -4.131 -2.592 1.00 0.00 C ATOM 1498 CG2 ILE A 97 -7.615 -6.496 -3.334 1.00 0.00 C ATOM 1499 CD1 ILE A 97 -6.844 -4.165 -1.806 1.00 0.00 C ATOM 0 H ILE A 97 -11.248 -5.892 -2.194 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.723 -4.709 -4.456 1.00 0.00 H new ATOM 0 HB ILE A 97 -9.022 -5.924 -1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.996 -3.641 -3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.893 -3.538 -2.051 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.768 -6.491 -2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.021 -7.505 -3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.285 -6.171 -4.320 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.481 -3.148 -1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.013 -4.634 -0.837 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.102 -4.738 -2.362 1.00 0.00 H new