USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 516 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 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 55:sc= 1.18 USER MOD Single : A 27 THR OG1 : rot -101:sc= -1.41! USER MOD Single : A 28 CYS SG : rot 30:sc= 0.532 USER MOD Single : A 31 SER OG : rot 7:sc= 1.07 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 0:sc= -2.32 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 37 SER OG : rot 143:sc= 0.997 USER MOD Single : A 39 THR OG1 : rot -38:sc= 0.903 USER MOD Single : A 45 SER OG : rot -6:sc= 0.657 USER MOD Single : A 46 LYS NZ :NH3+ -117:sc= -0.353 (180deg=-1.19) USER MOD Single : A 50 THR OG1 : rot 77:sc= 0.141 USER MOD Single : A 52 TYR OH : rot 113:sc= 1.22 USER MOD Single : A 57 CYS SG : rot 144:sc= 0.119 USER MOD Single : A 60 THR OG1 : rot 99:sc= 0.18 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -4! C(o=-4!,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 -3.693 10.494 8.741 1.00 0.00 N ATOM 56 CA TRP A 5 -2.468 9.643 8.810 1.00 0.00 C ATOM 57 C TRP A 5 -2.119 9.343 10.270 1.00 0.00 C ATOM 58 O TRP A 5 -2.162 10.213 11.118 1.00 0.00 O ATOM 59 CB TRP A 5 -1.366 10.481 8.159 1.00 0.00 C ATOM 60 CG TRP A 5 -1.409 10.299 6.676 1.00 0.00 C ATOM 61 CD1 TRP A 5 -1.931 11.189 5.801 1.00 0.00 C ATOM 62 CD2 TRP A 5 -0.920 9.180 5.882 1.00 0.00 C ATOM 63 NE1 TRP A 5 -1.794 10.686 4.520 1.00 0.00 N ATOM 64 CE2 TRP A 5 -1.177 9.451 4.517 1.00 0.00 C ATOM 65 CE3 TRP A 5 -0.287 7.967 6.209 1.00 0.00 C ATOM 66 CZ2 TRP A 5 -0.818 8.552 3.512 1.00 0.00 C ATOM 67 CZ3 TRP A 5 0.076 7.060 5.200 1.00 0.00 C ATOM 68 CH2 TRP A 5 -0.189 7.351 3.855 1.00 0.00 C ATOM 0 HA TRP A 5 -2.601 8.684 8.309 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -1.499 11.533 8.411 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -0.391 10.181 8.544 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -2.381 12.136 6.060 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.111 11.169 3.679 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.079 7.732 7.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.024 8.782 2.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 0.563 6.132 5.462 1.00 0.00 H new ATOM 0 HH2 TRP A 5 0.092 6.649 3.084 1.00 0.00 H new ATOM 79 N LEU A 6 -1.776 8.119 10.569 1.00 0.00 N ATOM 80 CA LEU A 6 -1.427 7.761 11.975 1.00 0.00 C ATOM 81 C LEU A 6 0.036 7.314 12.057 1.00 0.00 C ATOM 82 O LEU A 6 0.636 6.947 11.070 1.00 0.00 O ATOM 83 CB LEU A 6 -2.362 6.603 12.333 1.00 0.00 C ATOM 84 CG LEU A 6 -3.816 7.061 12.207 1.00 0.00 C ATOM 85 CD1 LEU A 6 -4.742 5.846 12.293 1.00 0.00 C ATOM 86 CD2 LEU A 6 -4.144 8.034 13.341 1.00 0.00 C ATOM 0 H LEU A 6 -1.722 7.351 9.900 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.542 8.603 12.657 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.178 5.756 11.672 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.164 6.263 13.349 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.959 7.559 11.248 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.778 6.171 12.203 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.508 5.152 11.485 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.600 5.347 13.252 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.180 8.361 13.252 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.002 7.536 14.300 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.484 8.899 13.280 1.00 0.00 H new ATOM 98 N ASP A 7 0.613 7.345 13.229 1.00 0.00 N ATOM 99 CA ASP A 7 2.037 6.919 13.372 1.00 0.00 C ATOM 100 C ASP A 7 2.217 5.492 12.844 1.00 0.00 C ATOM 101 O ASP A 7 1.259 4.785 12.603 1.00 0.00 O ATOM 102 CB ASP A 7 2.322 6.974 14.874 1.00 0.00 C ATOM 103 CG ASP A 7 2.159 8.411 15.373 1.00 0.00 C ATOM 104 OD1 ASP A 7 1.034 8.884 15.401 1.00 0.00 O ATOM 105 OD2 ASP A 7 3.160 9.015 15.720 1.00 0.00 O ATOM 0 H ASP A 7 0.161 7.646 14.092 1.00 0.00 H new ATOM 0 HA ASP A 7 2.716 7.557 12.806 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.640 6.313 15.409 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.333 6.620 15.076 1.00 0.00 H new ATOM 110 N CYS A 8 3.439 5.067 12.661 1.00 0.00 N ATOM 111 CA CYS A 8 3.680 3.688 12.146 1.00 0.00 C ATOM 112 C CYS A 8 4.984 3.122 12.722 1.00 0.00 C ATOM 113 O CYS A 8 6.026 3.217 12.105 1.00 0.00 O ATOM 114 CB CYS A 8 3.789 3.845 10.629 1.00 0.00 C ATOM 115 SG CYS A 8 3.606 2.226 9.841 1.00 0.00 S ATOM 0 H CYS A 8 4.280 5.615 12.846 1.00 0.00 H new ATOM 0 HA CYS A 8 2.885 2.999 12.430 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.019 4.527 10.267 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.752 4.283 10.366 1.00 0.00 H new ATOM 0 HG CYS A 8 3.696 2.359 8.551 1.00 0.00 H new ATOM 121 N PRO A 9 4.879 2.541 13.891 1.00 0.00 N ATOM 122 CA PRO A 9 6.065 1.943 14.554 1.00 0.00 C ATOM 123 C PRO A 9 6.485 0.644 13.865 1.00 0.00 C ATOM 124 O PRO A 9 7.501 0.062 14.189 1.00 0.00 O ATOM 125 CB PRO A 9 5.580 1.646 15.966 1.00 0.00 C ATOM 126 CG PRO A 9 4.095 1.517 15.849 1.00 0.00 C ATOM 127 CD PRO A 9 3.663 2.386 14.698 1.00 0.00 C ATOM 0 HA PRO A 9 6.932 2.603 14.523 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.026 0.729 16.351 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.853 2.447 16.653 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.811 0.479 15.675 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.607 1.830 16.772 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.861 1.920 14.125 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.289 3.349 15.044 1.00 0.00 H new ATOM 135 N ALA A 10 5.706 0.177 12.930 1.00 0.00 N ATOM 136 CA ALA A 10 6.058 -1.094 12.236 1.00 0.00 C ATOM 137 C ALA A 10 7.392 -0.962 11.493 1.00 0.00 C ATOM 138 O ALA A 10 7.962 -1.938 11.047 1.00 0.00 O ATOM 139 CB ALA A 10 4.918 -1.334 11.247 1.00 0.00 C ATOM 0 H ALA A 10 4.842 0.619 12.616 1.00 0.00 H new ATOM 0 HA ALA A 10 6.176 -1.919 12.939 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.103 -2.255 10.695 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.977 -1.420 11.790 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.859 -0.498 10.550 1.00 0.00 H new ATOM 145 N LEU A 11 7.889 0.234 11.344 1.00 0.00 N ATOM 146 CA LEU A 11 9.181 0.420 10.623 1.00 0.00 C ATOM 147 C LEU A 11 10.148 1.256 11.465 1.00 0.00 C ATOM 148 O LEU A 11 11.154 0.766 11.940 1.00 0.00 O ATOM 149 CB LEU A 11 8.811 1.165 9.342 1.00 0.00 C ATOM 150 CG LEU A 11 8.189 0.188 8.338 1.00 0.00 C ATOM 151 CD1 LEU A 11 6.815 0.704 7.896 1.00 0.00 C ATOM 152 CD2 LEU A 11 9.105 0.057 7.114 1.00 0.00 C ATOM 0 H LEU A 11 7.457 1.091 11.690 1.00 0.00 H new ATOM 0 HA LEU A 11 9.678 -0.528 10.420 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.108 1.967 9.566 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.698 1.629 8.911 1.00 0.00 H new ATOM 0 HG LEU A 11 8.072 -0.787 8.811 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.377 0.006 7.182 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.163 0.792 8.765 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.927 1.681 7.426 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.662 -0.638 6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.225 1.033 6.643 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.080 -0.317 7.427 1.00 0.00 H new ATOM 164 N GLY A 12 9.852 2.515 11.651 1.00 0.00 N ATOM 165 CA GLY A 12 10.758 3.383 12.459 1.00 0.00 C ATOM 166 C GLY A 12 10.169 4.795 12.568 1.00 0.00 C ATOM 167 O GLY A 12 9.032 5.021 12.206 1.00 0.00 O ATOM 0 H GLY A 12 9.023 2.979 11.279 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.892 2.958 13.454 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.744 3.426 11.996 1.00 0.00 H new ATOM 171 N PRO A 13 10.969 5.703 13.073 1.00 0.00 N ATOM 172 CA PRO A 13 10.520 7.109 13.238 1.00 0.00 C ATOM 173 C PRO A 13 10.459 7.827 11.885 1.00 0.00 C ATOM 174 O PRO A 13 11.447 8.343 11.399 1.00 0.00 O ATOM 175 CB PRO A 13 11.594 7.726 14.128 1.00 0.00 C ATOM 176 CG PRO A 13 12.816 6.894 13.898 1.00 0.00 C ATOM 177 CD PRO A 13 12.351 5.509 13.532 1.00 0.00 C ATOM 0 HA PRO A 13 9.519 7.185 13.663 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.772 8.769 13.866 1.00 0.00 H new ATOM 0 HB3 PRO A 13 11.296 7.707 15.176 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.425 7.318 13.100 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.437 6.867 14.793 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.973 5.074 12.750 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.396 4.835 14.387 1.00 0.00 H new ATOM 185 N GLY A 14 9.305 7.863 11.276 1.00 0.00 N ATOM 186 CA GLY A 14 9.165 8.546 9.958 1.00 0.00 C ATOM 187 C GLY A 14 7.993 7.928 9.193 1.00 0.00 C ATOM 188 O GLY A 14 7.356 8.573 8.384 1.00 0.00 O ATOM 0 H GLY A 14 8.447 7.446 11.637 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.997 9.613 10.104 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.085 8.444 9.382 1.00 0.00 H new ATOM 192 N TRP A 15 7.729 6.672 9.427 1.00 0.00 N ATOM 193 CA TRP A 15 6.624 5.983 8.698 1.00 0.00 C ATOM 194 C TRP A 15 5.249 6.430 9.198 1.00 0.00 C ATOM 195 O TRP A 15 5.086 6.849 10.327 1.00 0.00 O ATOM 196 CB TRP A 15 6.832 4.498 8.990 1.00 0.00 C ATOM 197 CG TRP A 15 7.973 3.987 8.175 1.00 0.00 C ATOM 198 CD1 TRP A 15 9.272 4.013 8.553 1.00 0.00 C ATOM 199 CD2 TRP A 15 7.943 3.375 6.854 1.00 0.00 C ATOM 200 NE1 TRP A 15 10.040 3.453 7.549 1.00 0.00 N ATOM 201 CE2 TRP A 15 9.267 3.044 6.482 1.00 0.00 C ATOM 202 CE3 TRP A 15 6.907 3.077 5.954 1.00 0.00 C ATOM 203 CZ2 TRP A 15 9.552 2.439 5.258 1.00 0.00 C ATOM 204 CZ3 TRP A 15 7.189 2.469 4.722 1.00 0.00 C ATOM 205 CH2 TRP A 15 8.511 2.150 4.374 1.00 0.00 C ATOM 0 H TRP A 15 8.233 6.089 10.095 1.00 0.00 H new ATOM 0 HA TRP A 15 6.647 6.214 7.633 1.00 0.00 H new ATOM 0 HB2 TRP A 15 7.033 4.350 10.051 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.925 3.940 8.757 1.00 0.00 H new ATOM 0 HD1 TRP A 15 9.647 4.407 9.486 1.00 0.00 H new ATOM 0 HE1 TRP A 15 11.054 3.354 7.592 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.886 3.318 6.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 10.571 2.196 4.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 6.385 2.245 4.037 1.00 0.00 H new ATOM 0 HH2 TRP A 15 8.722 1.682 3.424 1.00 0.00 H new ATOM 216 N LYS A 16 4.257 6.327 8.353 1.00 0.00 N ATOM 217 CA LYS A 16 2.872 6.721 8.745 1.00 0.00 C ATOM 218 C LYS A 16 1.881 5.675 8.224 1.00 0.00 C ATOM 219 O LYS A 16 2.188 4.918 7.324 1.00 0.00 O ATOM 220 CB LYS A 16 2.635 8.072 8.070 1.00 0.00 C ATOM 221 CG LYS A 16 3.493 9.146 8.747 1.00 0.00 C ATOM 222 CD LYS A 16 2.588 10.168 9.439 1.00 0.00 C ATOM 223 CE LYS A 16 3.259 11.543 9.414 1.00 0.00 C ATOM 224 NZ LYS A 16 2.136 12.517 9.321 1.00 0.00 N ATOM 0 H LYS A 16 4.349 5.983 7.397 1.00 0.00 H new ATOM 0 HA LYS A 16 2.741 6.786 9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.884 8.009 7.011 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.581 8.341 8.134 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.161 8.686 9.475 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.121 9.643 8.008 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.622 10.214 8.936 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.397 9.863 10.468 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.852 11.709 10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.935 11.637 8.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.517 13.485 9.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.593 12.339 8.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.513 12.409 10.147 1.00 0.00 H new ATOM 238 N ARG A 17 0.702 5.617 8.783 1.00 0.00 N ATOM 239 CA ARG A 17 -0.295 4.608 8.315 1.00 0.00 C ATOM 240 C ARG A 17 -1.642 5.270 8.011 1.00 0.00 C ATOM 241 O ARG A 17 -2.086 6.157 8.713 1.00 0.00 O ATOM 242 CB ARG A 17 -0.436 3.621 9.475 1.00 0.00 C ATOM 243 CG ARG A 17 -1.462 2.544 9.108 1.00 0.00 C ATOM 244 CD ARG A 17 -1.730 1.651 10.323 1.00 0.00 C ATOM 245 NE ARG A 17 -2.348 2.550 11.338 1.00 0.00 N ATOM 246 CZ ARG A 17 -2.712 2.070 12.496 1.00 0.00 C ATOM 247 NH1 ARG A 17 -3.706 1.229 12.570 1.00 0.00 N ATOM 248 NH2 ARG A 17 -2.084 2.433 13.581 1.00 0.00 N ATOM 0 H ARG A 17 0.386 6.222 9.541 1.00 0.00 H new ATOM 0 HA ARG A 17 0.026 4.120 7.394 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.528 3.161 9.694 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.751 4.146 10.377 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.390 3.010 8.775 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.092 1.943 8.278 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.397 0.828 10.067 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.807 1.209 10.698 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.486 3.539 11.128 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.199 0.946 11.723 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.990 0.854 13.475 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.308 3.092 13.525 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.369 2.057 14.485 1.00 0.00 H new ATOM 262 N ARG A 18 -2.294 4.827 6.971 1.00 0.00 N ATOM 263 CA ARG A 18 -3.622 5.399 6.605 1.00 0.00 C ATOM 264 C ARG A 18 -4.564 4.266 6.189 1.00 0.00 C ATOM 265 O ARG A 18 -4.189 3.384 5.442 1.00 0.00 O ATOM 266 CB ARG A 18 -3.343 6.332 5.427 1.00 0.00 C ATOM 267 CG ARG A 18 -4.639 7.035 5.015 1.00 0.00 C ATOM 268 CD ARG A 18 -4.327 8.128 3.988 1.00 0.00 C ATOM 269 NE ARG A 18 -5.044 7.709 2.751 1.00 0.00 N ATOM 270 CZ ARG A 18 -4.370 7.361 1.687 1.00 0.00 C ATOM 271 NH1 ARG A 18 -3.260 6.684 1.811 1.00 0.00 N ATOM 272 NH2 ARG A 18 -4.805 7.689 0.503 1.00 0.00 N ATOM 0 H ARG A 18 -1.961 4.087 6.353 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.096 5.930 7.430 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.589 7.069 5.704 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.941 5.765 4.587 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.337 6.313 4.592 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.122 7.471 5.890 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.671 9.103 4.333 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.254 8.211 3.814 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.064 7.694 2.735 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.920 6.427 2.738 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.733 6.412 0.981 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.672 8.218 0.407 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.278 7.417 -0.327 1.00 0.00 H new ATOM 286 N GLU A 19 -5.777 4.274 6.672 1.00 0.00 N ATOM 287 CA GLU A 19 -6.728 3.182 6.307 1.00 0.00 C ATOM 288 C GLU A 19 -7.675 3.644 5.196 1.00 0.00 C ATOM 289 O GLU A 19 -8.200 4.740 5.227 1.00 0.00 O ATOM 290 CB GLU A 19 -7.508 2.886 7.592 1.00 0.00 C ATOM 291 CG GLU A 19 -7.193 1.466 8.068 1.00 0.00 C ATOM 292 CD GLU A 19 -7.856 1.225 9.426 1.00 0.00 C ATOM 293 OE1 GLU A 19 -7.267 1.600 10.426 1.00 0.00 O ATOM 294 OE2 GLU A 19 -8.942 0.668 9.443 1.00 0.00 O ATOM 0 H GLU A 19 -6.150 4.985 7.301 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.212 2.299 5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.242 3.607 8.365 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.578 2.991 7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.554 0.739 7.341 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.115 1.329 8.148 1.00 0.00 H new ATOM 301 N VAL A 20 -7.897 2.808 4.217 1.00 0.00 N ATOM 302 CA VAL A 20 -8.810 3.183 3.098 1.00 0.00 C ATOM 303 C VAL A 20 -9.949 2.165 2.995 1.00 0.00 C ATOM 304 O VAL A 20 -9.807 1.127 2.381 1.00 0.00 O ATOM 305 CB VAL A 20 -7.943 3.138 1.837 1.00 0.00 C ATOM 306 CG1 VAL A 20 -8.743 3.670 0.648 1.00 0.00 C ATOM 307 CG2 VAL A 20 -6.696 4.004 2.036 1.00 0.00 C ATOM 0 H VAL A 20 -7.484 1.878 4.144 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.261 4.165 3.244 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.642 2.108 1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.125 3.638 -0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.630 3.053 0.501 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.045 4.699 0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.082 3.969 1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.995 5.034 2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.122 3.626 2.882 1.00 0.00 H new ATOM 317 N PHE A 21 -11.078 2.449 3.591 1.00 0.00 N ATOM 318 CA PHE A 21 -12.222 1.488 3.529 1.00 0.00 C ATOM 319 C PHE A 21 -13.021 1.677 2.236 1.00 0.00 C ATOM 320 O PHE A 21 -14.235 1.683 2.246 1.00 0.00 O ATOM 321 CB PHE A 21 -13.087 1.825 4.744 1.00 0.00 C ATOM 322 CG PHE A 21 -13.820 0.585 5.201 1.00 0.00 C ATOM 323 CD1 PHE A 21 -13.099 -0.539 5.621 1.00 0.00 C ATOM 324 CD2 PHE A 21 -15.220 0.561 5.202 1.00 0.00 C ATOM 325 CE1 PHE A 21 -13.780 -1.688 6.044 1.00 0.00 C ATOM 326 CE2 PHE A 21 -15.899 -0.588 5.624 1.00 0.00 C ATOM 327 CZ PHE A 21 -15.179 -1.713 6.044 1.00 0.00 C ATOM 0 H PHE A 21 -11.258 3.304 4.118 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.883 0.452 3.538 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -12.464 2.210 5.551 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -13.800 2.609 4.490 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.019 -0.520 5.619 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -15.776 1.428 4.877 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -13.225 -2.555 6.370 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -16.979 -0.607 5.626 1.00 0.00 H new ATOM 0 HZ PHE A 21 -15.703 -2.600 6.368 1.00 0.00 H new ATOM 337 N ARG A 22 -12.345 1.814 1.121 1.00 0.00 N ATOM 338 CA ARG A 22 -13.047 1.993 -0.188 1.00 0.00 C ATOM 339 C ARG A 22 -14.091 3.114 -0.114 1.00 0.00 C ATOM 340 O ARG A 22 -14.504 3.532 0.949 1.00 0.00 O ATOM 341 CB ARG A 22 -13.725 0.655 -0.451 1.00 0.00 C ATOM 342 CG ARG A 22 -12.839 -0.194 -1.360 1.00 0.00 C ATOM 343 CD ARG A 22 -12.781 0.433 -2.755 1.00 0.00 C ATOM 344 NE ARG A 22 -11.333 0.476 -3.100 1.00 0.00 N ATOM 345 CZ ARG A 22 -10.656 -0.629 -3.254 1.00 0.00 C ATOM 346 NH1 ARG A 22 -10.641 -1.226 -4.413 1.00 0.00 N ATOM 347 NH2 ARG A 22 -9.991 -1.134 -2.251 1.00 0.00 N ATOM 0 H ARG A 22 -11.327 1.809 1.062 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.354 2.275 -0.980 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.904 0.135 0.490 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.697 0.813 -0.917 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.835 -0.266 -0.941 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.232 -1.209 -1.423 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.341 -0.160 -3.478 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.217 1.432 -2.757 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.867 1.376 -3.217 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.158 -0.829 -5.198 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.112 -2.090 -4.535 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.000 -0.665 -1.345 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.462 -1.998 -2.373 1.00 0.00 H new ATOM 361 N LYS A 23 -14.522 3.602 -1.244 1.00 0.00 N ATOM 362 CA LYS A 23 -15.540 4.691 -1.246 1.00 0.00 C ATOM 363 C LYS A 23 -16.702 4.343 -2.184 1.00 0.00 C ATOM 364 O LYS A 23 -17.829 4.727 -1.942 1.00 0.00 O ATOM 365 CB LYS A 23 -14.796 5.929 -1.751 1.00 0.00 C ATOM 366 CG LYS A 23 -13.630 6.247 -0.810 1.00 0.00 C ATOM 367 CD LYS A 23 -14.171 6.695 0.553 1.00 0.00 C ATOM 368 CE LYS A 23 -13.457 5.924 1.668 1.00 0.00 C ATOM 369 NZ LYS A 23 -12.490 6.894 2.251 1.00 0.00 N ATOM 0 H LYS A 23 -14.214 3.294 -2.166 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.972 4.847 -0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.425 5.756 -2.761 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -15.477 6.779 -1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.998 5.367 -0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.007 7.031 -1.240 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.018 7.766 0.682 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.245 6.518 0.605 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.164 5.572 2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.946 5.045 1.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.963 6.437 3.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.825 7.206 1.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.006 7.717 2.624 1.00 0.00 H new ATOM 383 N SER A 24 -16.440 3.615 -3.250 1.00 0.00 N ATOM 384 CA SER A 24 -17.538 3.241 -4.210 1.00 0.00 C ATOM 385 C SER A 24 -16.957 2.729 -5.533 1.00 0.00 C ATOM 386 O SER A 24 -15.777 2.460 -5.646 1.00 0.00 O ATOM 387 CB SER A 24 -18.337 4.525 -4.463 1.00 0.00 C ATOM 388 OG SER A 24 -19.540 4.488 -3.706 1.00 0.00 O ATOM 0 H SER A 24 -15.515 3.264 -3.497 1.00 0.00 H new ATOM 0 HA SER A 24 -18.159 2.446 -3.797 1.00 0.00 H new ATOM 0 HB2 SER A 24 -17.745 5.396 -4.183 1.00 0.00 H new ATOM 0 HB3 SER A 24 -18.565 4.622 -5.525 1.00 0.00 H new ATOM 0 HG SER A 24 -19.327 4.339 -2.761 1.00 0.00 H new ATOM 394 N GLY A 25 -17.788 2.600 -6.538 1.00 0.00 N ATOM 395 CA GLY A 25 -17.304 2.114 -7.864 1.00 0.00 C ATOM 396 C GLY A 25 -17.694 0.646 -8.057 1.00 0.00 C ATOM 397 O GLY A 25 -18.512 0.310 -8.890 1.00 0.00 O ATOM 0 H GLY A 25 -18.785 2.812 -6.495 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.733 2.721 -8.662 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.221 2.223 -7.928 1.00 0.00 H new ATOM 401 N ALA A 26 -17.100 -0.225 -7.293 1.00 0.00 N ATOM 402 CA ALA A 26 -17.401 -1.683 -7.409 1.00 0.00 C ATOM 403 C ALA A 26 -16.662 -2.424 -6.296 1.00 0.00 C ATOM 404 O ALA A 26 -17.185 -3.321 -5.664 1.00 0.00 O ATOM 405 CB ALA A 26 -16.858 -2.091 -8.780 1.00 0.00 C ATOM 0 H ALA A 26 -16.408 0.012 -6.582 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.463 -1.912 -7.317 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.041 -3.153 -8.942 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.360 -1.514 -9.557 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.786 -1.897 -8.819 1.00 0.00 H new ATOM 411 N THR A 27 -15.448 -2.021 -6.047 1.00 0.00 N ATOM 412 CA THR A 27 -14.636 -2.644 -4.967 1.00 0.00 C ATOM 413 C THR A 27 -15.076 -2.094 -3.604 1.00 0.00 C ATOM 414 O THR A 27 -14.529 -2.443 -2.579 1.00 0.00 O ATOM 415 CB THR A 27 -13.195 -2.214 -5.282 1.00 0.00 C ATOM 416 OG1 THR A 27 -13.156 -0.806 -5.484 1.00 0.00 O ATOM 417 CG2 THR A 27 -12.711 -2.930 -6.546 1.00 0.00 C ATOM 0 H THR A 27 -14.977 -1.273 -6.556 1.00 0.00 H new ATOM 0 HA THR A 27 -14.744 -3.728 -4.923 1.00 0.00 H new ATOM 0 HB THR A 27 -12.545 -2.479 -4.448 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.129 -0.614 -6.445 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.689 -2.624 -6.769 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.741 -4.008 -6.388 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.358 -2.668 -7.383 1.00 0.00 H new ATOM 425 N CYS A 28 -16.061 -1.225 -3.598 1.00 0.00 N ATOM 426 CA CYS A 28 -16.555 -0.620 -2.323 1.00 0.00 C ATOM 427 C CYS A 28 -16.652 -1.654 -1.196 1.00 0.00 C ATOM 428 O CYS A 28 -17.153 -2.745 -1.382 1.00 0.00 O ATOM 429 CB CYS A 28 -17.945 -0.076 -2.663 1.00 0.00 C ATOM 430 SG CYS A 28 -19.020 -1.427 -3.213 1.00 0.00 S ATOM 0 H CYS A 28 -16.549 -0.907 -4.436 1.00 0.00 H new ATOM 0 HA CYS A 28 -15.873 0.150 -1.962 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -18.378 0.412 -1.789 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -17.868 0.680 -3.445 1.00 0.00 H new ATOM 0 HG CYS A 28 -18.660 -2.532 -2.631 1.00 0.00 H new ATOM 436 N GLY A 29 -16.190 -1.305 -0.024 1.00 0.00 N ATOM 437 CA GLY A 29 -16.273 -2.256 1.126 1.00 0.00 C ATOM 438 C GLY A 29 -14.887 -2.809 1.480 1.00 0.00 C ATOM 439 O GLY A 29 -14.691 -3.358 2.546 1.00 0.00 O ATOM 0 H GLY A 29 -15.760 -0.405 0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.699 -1.749 1.992 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.944 -3.078 0.876 1.00 0.00 H new ATOM 443 N ARG A 30 -13.926 -2.678 0.605 1.00 0.00 N ATOM 444 CA ARG A 30 -12.564 -3.210 0.916 1.00 0.00 C ATOM 445 C ARG A 30 -11.790 -2.209 1.778 1.00 0.00 C ATOM 446 O ARG A 30 -12.044 -1.021 1.744 1.00 0.00 O ATOM 447 CB ARG A 30 -11.879 -3.394 -0.440 1.00 0.00 C ATOM 448 CG ARG A 30 -12.606 -4.480 -1.235 1.00 0.00 C ATOM 449 CD ARG A 30 -11.840 -4.765 -2.529 1.00 0.00 C ATOM 450 NE ARG A 30 -12.243 -6.145 -2.918 1.00 0.00 N ATOM 451 CZ ARG A 30 -11.485 -6.845 -3.718 1.00 0.00 C ATOM 452 NH1 ARG A 30 -11.576 -6.682 -5.010 1.00 0.00 N ATOM 453 NH2 ARG A 30 -10.639 -7.707 -3.226 1.00 0.00 N ATOM 0 H ARG A 30 -14.022 -2.229 -0.306 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.608 -4.145 1.474 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.887 -2.455 -0.994 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.834 -3.670 -0.297 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.686 -5.389 -0.639 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.622 -4.159 -1.465 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.096 -4.045 -3.306 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.763 -4.697 -2.374 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.111 -6.543 -2.560 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.239 -6.008 -5.394 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.984 -7.228 -5.636 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.570 -7.834 -2.216 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.047 -8.254 -3.851 1.00 0.00 H new ATOM 467 N SER A 31 -10.851 -2.683 2.553 1.00 0.00 N ATOM 468 CA SER A 31 -10.064 -1.761 3.422 1.00 0.00 C ATOM 469 C SER A 31 -8.571 -1.863 3.099 1.00 0.00 C ATOM 470 O SER A 31 -7.895 -2.781 3.522 1.00 0.00 O ATOM 471 CB SER A 31 -10.341 -2.229 4.848 1.00 0.00 C ATOM 472 OG SER A 31 -9.715 -3.488 5.061 1.00 0.00 O ATOM 0 H SER A 31 -10.595 -3.668 2.622 1.00 0.00 H new ATOM 0 HA SER A 31 -10.344 -0.718 3.274 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.964 -1.497 5.563 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.415 -2.312 5.013 1.00 0.00 H new ATOM 0 HG SER A 31 -9.161 -3.713 4.285 1.00 0.00 H new ATOM 478 N ASP A 32 -8.054 -0.923 2.355 1.00 0.00 N ATOM 479 CA ASP A 32 -6.605 -0.953 2.004 1.00 0.00 C ATOM 480 C ASP A 32 -5.833 0.022 2.893 1.00 0.00 C ATOM 481 O ASP A 32 -6.148 1.193 2.964 1.00 0.00 O ATOM 482 CB ASP A 32 -6.544 -0.516 0.540 1.00 0.00 C ATOM 483 CG ASP A 32 -7.083 -1.636 -0.350 1.00 0.00 C ATOM 484 OD1 ASP A 32 -8.245 -1.978 -0.201 1.00 0.00 O ATOM 485 OD2 ASP A 32 -6.326 -2.133 -1.167 1.00 0.00 O ATOM 0 H ASP A 32 -8.575 -0.133 1.974 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.160 -1.937 2.151 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.130 0.391 0.396 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.517 -0.279 0.263 1.00 0.00 H new ATOM 490 N THR A 33 -4.823 -0.450 3.572 1.00 0.00 N ATOM 491 CA THR A 33 -4.036 0.454 4.454 1.00 0.00 C ATOM 492 C THR A 33 -2.755 0.890 3.741 1.00 0.00 C ATOM 493 O THR A 33 -1.937 0.076 3.359 1.00 0.00 O ATOM 494 CB THR A 33 -3.716 -0.381 5.693 1.00 0.00 C ATOM 495 OG1 THR A 33 -4.927 -0.832 6.283 1.00 0.00 O ATOM 496 CG2 THR A 33 -2.942 0.470 6.701 1.00 0.00 C ATOM 0 H THR A 33 -4.510 -1.421 3.553 1.00 0.00 H new ATOM 0 HA THR A 33 -4.578 1.363 4.714 1.00 0.00 H new ATOM 0 HB THR A 33 -3.109 -1.239 5.405 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.724 -1.369 7.077 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.715 -0.128 7.584 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.013 0.815 6.248 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.546 1.330 6.991 1.00 0.00 H new ATOM 504 N TYR A 34 -2.579 2.170 3.557 1.00 0.00 N ATOM 505 CA TYR A 34 -1.357 2.666 2.865 1.00 0.00 C ATOM 506 C TYR A 34 -0.390 3.272 3.882 1.00 0.00 C ATOM 507 O TYR A 34 -0.800 3.903 4.837 1.00 0.00 O ATOM 508 CB TYR A 34 -1.858 3.735 1.896 1.00 0.00 C ATOM 509 CG TYR A 34 -2.680 3.081 0.815 1.00 0.00 C ATOM 510 CD1 TYR A 34 -4.006 2.701 1.069 1.00 0.00 C ATOM 511 CD2 TYR A 34 -2.116 2.851 -0.444 1.00 0.00 C ATOM 512 CE1 TYR A 34 -4.763 2.094 0.062 1.00 0.00 C ATOM 513 CE2 TYR A 34 -2.872 2.243 -1.449 1.00 0.00 C ATOM 514 CZ TYR A 34 -4.197 1.865 -1.198 1.00 0.00 C ATOM 515 OH TYR A 34 -4.947 1.263 -2.190 1.00 0.00 O ATOM 0 H TYR A 34 -3.231 2.895 3.857 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.819 1.871 2.349 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.458 4.473 2.429 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.015 4.267 1.456 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.442 2.877 2.041 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.095 3.144 -0.639 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.784 1.802 0.256 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.435 2.064 -2.420 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.406 1.178 -3.003 1.00 0.00 H new ATOM 525 N TYR A 35 0.886 3.083 3.692 1.00 0.00 N ATOM 526 CA TYR A 35 1.871 3.651 4.659 1.00 0.00 C ATOM 527 C TYR A 35 2.914 4.489 3.922 1.00 0.00 C ATOM 528 O TYR A 35 3.293 4.186 2.808 1.00 0.00 O ATOM 529 CB TYR A 35 2.552 2.449 5.327 1.00 0.00 C ATOM 530 CG TYR A 35 1.563 1.328 5.545 1.00 0.00 C ATOM 531 CD1 TYR A 35 1.296 0.424 4.510 1.00 0.00 C ATOM 532 CD2 TYR A 35 0.921 1.189 6.780 1.00 0.00 C ATOM 533 CE1 TYR A 35 0.386 -0.619 4.710 1.00 0.00 C ATOM 534 CE2 TYR A 35 0.011 0.145 6.981 1.00 0.00 C ATOM 535 CZ TYR A 35 -0.257 -0.759 5.945 1.00 0.00 C ATOM 536 OH TYR A 35 -1.155 -1.791 6.141 1.00 0.00 O ATOM 0 H TYR A 35 1.290 2.563 2.913 1.00 0.00 H new ATOM 0 HA TYR A 35 1.381 4.296 5.388 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.375 2.099 4.704 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.982 2.752 6.282 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.793 0.532 3.557 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.127 1.887 7.578 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.180 -1.316 3.911 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.484 0.036 7.934 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.223 -2.325 5.322 1.00 0.00 H new ATOM 546 N GLN A 36 3.397 5.527 4.545 1.00 0.00 N ATOM 547 CA GLN A 36 4.435 6.371 3.893 1.00 0.00 C ATOM 548 C GLN A 36 5.799 6.030 4.490 1.00 0.00 C ATOM 549 O GLN A 36 5.905 5.700 5.656 1.00 0.00 O ATOM 550 CB GLN A 36 4.047 7.816 4.216 1.00 0.00 C ATOM 551 CG GLN A 36 5.057 8.777 3.579 1.00 0.00 C ATOM 552 CD GLN A 36 5.249 9.993 4.487 1.00 0.00 C ATOM 553 OE1 GLN A 36 4.307 10.473 5.086 1.00 0.00 O ATOM 554 NE2 GLN A 36 6.439 10.514 4.617 1.00 0.00 N ATOM 0 H GLN A 36 3.117 5.827 5.479 1.00 0.00 H new ATOM 0 HA GLN A 36 4.495 6.212 2.816 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.045 8.026 3.842 1.00 0.00 H new ATOM 0 HB3 GLN A 36 4.021 7.963 5.296 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.010 8.270 3.426 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.704 9.095 2.598 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.230 10.111 4.114 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.578 11.324 5.221 1.00 0.00 H new ATOM 563 N SER A 37 6.839 6.101 3.705 1.00 0.00 N ATOM 564 CA SER A 37 8.199 5.776 4.231 1.00 0.00 C ATOM 565 C SER A 37 8.520 6.661 5.439 1.00 0.00 C ATOM 566 O SER A 37 7.667 7.384 5.914 1.00 0.00 O ATOM 567 CB SER A 37 9.143 6.067 3.070 1.00 0.00 C ATOM 568 OG SER A 37 9.580 7.419 3.133 1.00 0.00 O ATOM 0 H SER A 37 6.808 6.370 2.722 1.00 0.00 H new ATOM 0 HA SER A 37 8.284 4.744 4.571 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.001 5.396 3.109 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.637 5.882 2.122 1.00 0.00 H new ATOM 0 HG SER A 37 10.518 7.473 2.853 1.00 0.00 H new ATOM 574 N PRO A 38 9.737 6.578 5.914 1.00 0.00 N ATOM 575 CA PRO A 38 10.125 7.382 7.079 1.00 0.00 C ATOM 576 C PRO A 38 10.499 8.806 6.670 1.00 0.00 C ATOM 577 O PRO A 38 10.672 9.666 7.512 1.00 0.00 O ATOM 578 CB PRO A 38 11.326 6.644 7.648 1.00 0.00 C ATOM 579 CG PRO A 38 11.908 5.883 6.502 1.00 0.00 C ATOM 580 CD PRO A 38 10.848 5.750 5.431 1.00 0.00 C ATOM 0 HA PRO A 38 9.315 7.489 7.801 1.00 0.00 H new ATOM 0 HB2 PRO A 38 12.053 7.341 8.066 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.028 5.973 8.454 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.783 6.401 6.108 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.241 4.899 6.830 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.213 6.099 4.465 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.543 4.712 5.301 1.00 0.00 H new ATOM 588 N THR A 39 10.637 9.079 5.393 1.00 0.00 N ATOM 589 CA THR A 39 11.008 10.469 4.998 1.00 0.00 C ATOM 590 C THR A 39 10.852 10.726 3.489 1.00 0.00 C ATOM 591 O THR A 39 11.420 11.666 2.965 1.00 0.00 O ATOM 592 CB THR A 39 12.472 10.605 5.424 1.00 0.00 C ATOM 593 OG1 THR A 39 12.917 11.931 5.173 1.00 0.00 O ATOM 594 CG2 THR A 39 13.334 9.616 4.637 1.00 0.00 C ATOM 0 H THR A 39 10.512 8.416 4.628 1.00 0.00 H new ATOM 0 HA THR A 39 10.352 11.200 5.471 1.00 0.00 H new ATOM 0 HB THR A 39 12.560 10.388 6.489 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.523 12.255 4.336 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.375 9.717 4.944 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.994 8.599 4.835 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.248 9.826 3.571 1.00 0.00 H new ATOM 602 N GLY A 40 10.078 9.939 2.779 1.00 0.00 N ATOM 603 CA GLY A 40 9.907 10.221 1.319 1.00 0.00 C ATOM 604 C GLY A 40 9.775 8.935 0.493 1.00 0.00 C ATOM 605 O GLY A 40 10.741 8.436 -0.051 1.00 0.00 O ATOM 0 H GLY A 40 9.568 9.132 3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.021 10.839 1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.760 10.796 0.959 1.00 0.00 H new ATOM 609 N ASP A 41 8.573 8.425 0.370 1.00 0.00 N ATOM 610 CA ASP A 41 8.317 7.190 -0.449 1.00 0.00 C ATOM 611 C ASP A 41 6.943 6.616 -0.074 1.00 0.00 C ATOM 612 O ASP A 41 6.728 6.167 1.035 1.00 0.00 O ATOM 613 CB ASP A 41 9.457 6.203 -0.124 1.00 0.00 C ATOM 614 CG ASP A 41 8.948 4.757 -0.176 1.00 0.00 C ATOM 615 OD1 ASP A 41 8.579 4.318 -1.253 1.00 0.00 O ATOM 616 OD2 ASP A 41 8.938 4.115 0.861 1.00 0.00 O ATOM 0 H ASP A 41 7.741 8.818 0.810 1.00 0.00 H new ATOM 0 HA ASP A 41 8.301 7.396 -1.519 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.272 6.333 -0.835 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.860 6.417 0.866 1.00 0.00 H new ATOM 621 N ARG A 42 6.010 6.645 -0.989 1.00 0.00 N ATOM 622 CA ARG A 42 4.642 6.122 -0.688 1.00 0.00 C ATOM 623 C ARG A 42 4.598 4.595 -0.818 1.00 0.00 C ATOM 624 O ARG A 42 5.263 4.012 -1.651 1.00 0.00 O ATOM 625 CB ARG A 42 3.731 6.773 -1.731 1.00 0.00 C ATOM 626 CG ARG A 42 2.870 7.847 -1.062 1.00 0.00 C ATOM 627 CD ARG A 42 3.723 9.087 -0.780 1.00 0.00 C ATOM 628 NE ARG A 42 2.929 10.230 -1.311 1.00 0.00 N ATOM 629 CZ ARG A 42 3.335 10.868 -2.374 1.00 0.00 C ATOM 630 NH1 ARG A 42 4.518 11.422 -2.391 1.00 0.00 N ATOM 631 NH2 ARG A 42 2.559 10.956 -3.420 1.00 0.00 N ATOM 0 H ARG A 42 6.135 7.009 -1.934 1.00 0.00 H new ATOM 0 HA ARG A 42 4.335 6.355 0.332 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.330 7.216 -2.526 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.095 6.019 -2.194 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.031 8.109 -1.707 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.449 7.463 -0.132 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.913 9.201 0.287 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.694 9.019 -1.271 1.00 0.00 H new ATOM 0 HE ARG A 42 2.068 10.514 -0.844 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.124 11.356 -1.573 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.836 11.921 -3.222 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.634 10.526 -3.407 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.877 11.455 -4.251 1.00 0.00 H new ATOM 645 N ILE A 43 3.809 3.951 0.002 1.00 0.00 N ATOM 646 CA ILE A 43 3.701 2.464 -0.059 1.00 0.00 C ATOM 647 C ILE A 43 2.240 2.047 0.157 1.00 0.00 C ATOM 648 O ILE A 43 1.476 2.751 0.788 1.00 0.00 O ATOM 649 CB ILE A 43 4.610 1.969 1.075 1.00 0.00 C ATOM 650 CG1 ILE A 43 6.031 1.801 0.533 1.00 0.00 C ATOM 651 CG2 ILE A 43 4.117 0.626 1.626 1.00 0.00 C ATOM 652 CD1 ILE A 43 7.033 2.010 1.665 1.00 0.00 C ATOM 0 H ILE A 43 3.231 4.395 0.716 1.00 0.00 H new ATOM 0 HA ILE A 43 4.001 2.044 -1.019 1.00 0.00 H new ATOM 0 HB ILE A 43 4.593 2.700 1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.153 0.807 0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.214 2.518 -0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.778 0.297 2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.105 0.741 2.014 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.117 -0.117 0.828 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.046 1.891 1.281 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.916 3.014 2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.854 1.275 2.450 1.00 0.00 H new ATOM 664 N ARG A 44 1.843 0.912 -0.363 1.00 0.00 N ATOM 665 CA ARG A 44 0.427 0.471 -0.181 1.00 0.00 C ATOM 666 C ARG A 44 0.348 -0.987 0.294 1.00 0.00 C ATOM 667 O ARG A 44 -0.730 -1.513 0.492 1.00 0.00 O ATOM 668 CB ARG A 44 -0.240 0.625 -1.554 1.00 0.00 C ATOM 669 CG ARG A 44 0.688 0.117 -2.662 1.00 0.00 C ATOM 670 CD ARG A 44 1.491 1.291 -3.213 1.00 0.00 C ATOM 671 NE ARG A 44 0.694 1.801 -4.362 1.00 0.00 N ATOM 672 CZ ARG A 44 0.829 3.040 -4.750 1.00 0.00 C ATOM 673 NH1 ARG A 44 0.409 4.011 -3.986 1.00 0.00 N ATOM 674 NH2 ARG A 44 1.386 3.308 -5.899 1.00 0.00 N ATOM 0 H ARG A 44 2.433 0.277 -0.901 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.071 1.069 0.582 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.178 0.069 -1.574 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.486 1.672 -1.730 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.359 -0.647 -2.270 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.106 -0.347 -3.458 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.630 2.063 -2.456 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.484 0.974 -3.532 1.00 0.00 H new ATOM 0 HE ARG A 44 0.043 1.183 -4.846 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.024 3.801 -3.087 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.514 4.980 -4.288 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.716 2.549 -6.495 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.491 4.276 -6.201 1.00 0.00 H new ATOM 688 N SER A 45 1.463 -1.649 0.488 1.00 0.00 N ATOM 689 CA SER A 45 1.396 -3.067 0.959 1.00 0.00 C ATOM 690 C SER A 45 2.717 -3.492 1.611 1.00 0.00 C ATOM 691 O SER A 45 3.564 -2.673 1.914 1.00 0.00 O ATOM 692 CB SER A 45 1.114 -3.893 -0.296 1.00 0.00 C ATOM 693 OG SER A 45 -0.216 -3.646 -0.730 1.00 0.00 O ATOM 0 H SER A 45 2.401 -1.276 0.343 1.00 0.00 H new ATOM 0 HA SER A 45 0.626 -3.206 1.717 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.821 -3.632 -1.084 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.249 -4.954 -0.085 1.00 0.00 H new ATOM 0 HG SER A 45 -0.677 -3.087 -0.070 1.00 0.00 H new ATOM 699 N LYS A 46 2.889 -4.768 1.838 1.00 0.00 N ATOM 700 CA LYS A 46 4.141 -5.262 2.479 1.00 0.00 C ATOM 701 C LYS A 46 5.294 -5.236 1.471 1.00 0.00 C ATOM 702 O LYS A 46 6.347 -4.693 1.741 1.00 0.00 O ATOM 703 CB LYS A 46 3.797 -6.690 2.933 1.00 0.00 C ATOM 704 CG LYS A 46 4.963 -7.650 2.677 1.00 0.00 C ATOM 705 CD LYS A 46 4.989 -8.706 3.778 1.00 0.00 C ATOM 706 CE LYS A 46 5.929 -8.245 4.893 1.00 0.00 C ATOM 707 NZ LYS A 46 7.012 -9.268 4.932 1.00 0.00 N ATOM 0 H LYS A 46 2.210 -5.493 1.605 1.00 0.00 H new ATOM 0 HA LYS A 46 4.470 -4.648 3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.551 -6.687 3.995 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.912 -7.040 2.402 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.852 -8.125 1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.905 -7.102 2.659 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.985 -8.862 4.173 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.325 -9.661 3.375 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.330 -7.253 4.686 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.408 -8.185 5.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.001 -9.750 5.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.859 -9.964 4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.933 -8.804 4.795 1.00 0.00 H new ATOM 721 N VAL A 47 5.103 -5.810 0.311 1.00 0.00 N ATOM 722 CA VAL A 47 6.193 -5.803 -0.709 1.00 0.00 C ATOM 723 C VAL A 47 6.683 -4.367 -0.914 1.00 0.00 C ATOM 724 O VAL A 47 7.868 -4.097 -0.886 1.00 0.00 O ATOM 725 CB VAL A 47 5.536 -6.353 -1.976 1.00 0.00 C ATOM 726 CG1 VAL A 47 6.293 -5.880 -3.218 1.00 0.00 C ATOM 727 CG2 VAL A 47 5.538 -7.881 -1.934 1.00 0.00 C ATOM 0 H VAL A 47 4.244 -6.281 0.027 1.00 0.00 H new ATOM 0 HA VAL A 47 7.061 -6.396 -0.421 1.00 0.00 H new ATOM 0 HB VAL A 47 4.511 -5.987 -2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.813 -6.280 -4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.283 -4.791 -3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.324 -6.232 -3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.069 -8.270 -2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.565 -8.242 -1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.981 -8.222 -1.061 1.00 0.00 H new ATOM 737 N GLU A 48 5.773 -3.442 -1.098 1.00 0.00 N ATOM 738 CA GLU A 48 6.175 -2.015 -1.281 1.00 0.00 C ATOM 739 C GLU A 48 7.121 -1.609 -0.149 1.00 0.00 C ATOM 740 O GLU A 48 8.139 -0.976 -0.363 1.00 0.00 O ATOM 741 CB GLU A 48 4.873 -1.218 -1.206 1.00 0.00 C ATOM 742 CG GLU A 48 4.719 -0.365 -2.466 1.00 0.00 C ATOM 743 CD GLU A 48 5.739 0.774 -2.442 1.00 0.00 C ATOM 744 OE1 GLU A 48 6.850 0.539 -1.992 1.00 0.00 O ATOM 745 OE2 GLU A 48 5.394 1.861 -2.872 1.00 0.00 O ATOM 0 H GLU A 48 4.768 -3.615 -1.129 1.00 0.00 H new ATOM 0 HA GLU A 48 6.695 -1.841 -2.223 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.025 -1.896 -1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.875 -0.581 -0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.866 -0.980 -3.354 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.708 0.039 -2.522 1.00 0.00 H new ATOM 752 N LEU A 49 6.793 -1.995 1.054 1.00 0.00 N ATOM 753 CA LEU A 49 7.668 -1.668 2.214 1.00 0.00 C ATOM 754 C LEU A 49 9.006 -2.384 2.044 1.00 0.00 C ATOM 755 O LEU A 49 10.059 -1.840 2.316 1.00 0.00 O ATOM 756 CB LEU A 49 6.919 -2.211 3.438 1.00 0.00 C ATOM 757 CG LEU A 49 6.913 -1.165 4.553 1.00 0.00 C ATOM 758 CD1 LEU A 49 5.665 -0.291 4.426 1.00 0.00 C ATOM 759 CD2 LEU A 49 6.898 -1.872 5.911 1.00 0.00 C ATOM 0 H LEU A 49 5.952 -2.525 1.283 1.00 0.00 H new ATOM 0 HA LEU A 49 7.872 -0.601 2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.896 -2.468 3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.395 -3.127 3.789 1.00 0.00 H new ATOM 0 HG LEU A 49 7.804 -0.543 4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.661 0.455 5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.669 0.210 3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.774 -0.914 4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.894 -1.129 6.708 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.005 -2.492 5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.785 -2.499 6.005 1.00 0.00 H new ATOM 771 N THR A 50 8.964 -3.604 1.584 1.00 0.00 N ATOM 772 CA THR A 50 10.220 -4.377 1.377 1.00 0.00 C ATOM 773 C THR A 50 11.050 -3.752 0.248 1.00 0.00 C ATOM 774 O THR A 50 12.224 -4.031 0.104 1.00 0.00 O ATOM 775 CB THR A 50 9.749 -5.785 0.993 1.00 0.00 C ATOM 776 OG1 THR A 50 9.012 -6.342 2.072 1.00 0.00 O ATOM 777 CG2 THR A 50 10.957 -6.672 0.689 1.00 0.00 C ATOM 0 H THR A 50 8.107 -4.101 1.341 1.00 0.00 H new ATOM 0 HA THR A 50 10.857 -4.386 2.262 1.00 0.00 H new ATOM 0 HB THR A 50 9.117 -5.726 0.107 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.116 -5.947 2.095 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.616 -7.671 0.417 1.00 0.00 H new ATOM 0 HG22 THR A 50 11.524 -6.244 -0.138 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.594 -6.734 1.571 1.00 0.00 H new ATOM 785 N ARG A 51 10.450 -2.909 -0.553 1.00 0.00 N ATOM 786 CA ARG A 51 11.207 -2.268 -1.669 1.00 0.00 C ATOM 787 C ARG A 51 12.037 -1.097 -1.138 1.00 0.00 C ATOM 788 O ARG A 51 13.250 -1.104 -1.207 1.00 0.00 O ATOM 789 CB ARG A 51 10.142 -1.767 -2.647 1.00 0.00 C ATOM 790 CG ARG A 51 9.208 -2.919 -3.030 1.00 0.00 C ATOM 791 CD ARG A 51 9.001 -2.935 -4.548 1.00 0.00 C ATOM 792 NE ARG A 51 9.686 -4.170 -5.020 1.00 0.00 N ATOM 793 CZ ARG A 51 9.945 -4.327 -6.290 1.00 0.00 C ATOM 794 NH1 ARG A 51 10.957 -3.705 -6.831 1.00 0.00 N ATOM 795 NH2 ARG A 51 9.191 -5.106 -7.017 1.00 0.00 N ATOM 0 H ARG A 51 9.469 -2.637 -0.482 1.00 0.00 H new ATOM 0 HA ARG A 51 11.899 -2.962 -2.146 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.570 -0.958 -2.193 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.617 -1.360 -3.539 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.632 -3.868 -2.701 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.249 -2.806 -2.524 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.941 -2.951 -4.801 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.426 -2.046 -5.013 1.00 0.00 H new ATOM 0 HE ARG A 51 9.953 -4.893 -4.352 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.545 -3.097 -6.262 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.160 -3.827 -7.823 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.400 -5.591 -6.593 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.392 -5.229 -8.009 1.00 0.00 H new ATOM 809 N TYR A 52 11.391 -0.093 -0.605 1.00 0.00 N ATOM 810 CA TYR A 52 12.147 1.078 -0.066 1.00 0.00 C ATOM 811 C TYR A 52 13.130 0.621 1.016 1.00 0.00 C ATOM 812 O TYR A 52 14.099 1.292 1.311 1.00 0.00 O ATOM 813 CB TYR A 52 11.082 2.003 0.531 1.00 0.00 C ATOM 814 CG TYR A 52 11.575 3.432 0.500 1.00 0.00 C ATOM 815 CD1 TYR A 52 12.063 3.980 -0.693 1.00 0.00 C ATOM 816 CD2 TYR A 52 11.545 4.210 1.666 1.00 0.00 C ATOM 817 CE1 TYR A 52 12.519 5.303 -0.722 1.00 0.00 C ATOM 818 CE2 TYR A 52 12.001 5.533 1.636 1.00 0.00 C ATOM 819 CZ TYR A 52 12.488 6.080 0.442 1.00 0.00 C ATOM 820 OH TYR A 52 12.939 7.384 0.414 1.00 0.00 O ATOM 0 H TYR A 52 10.376 -0.032 -0.519 1.00 0.00 H new ATOM 0 HA TYR A 52 12.733 1.579 -0.837 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.153 1.916 -0.033 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.862 1.706 1.556 1.00 0.00 H new ATOM 0 HD1 TYR A 52 12.087 3.381 -1.591 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.170 3.789 2.587 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.895 5.724 -1.643 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.977 6.132 2.534 1.00 0.00 H new ATOM 0 HH TYR A 52 12.185 7.994 0.555 1.00 0.00 H new ATOM 830 N LEU A 53 12.885 -0.519 1.607 1.00 0.00 N ATOM 831 CA LEU A 53 13.801 -1.026 2.669 1.00 0.00 C ATOM 832 C LEU A 53 14.867 -1.942 2.058 1.00 0.00 C ATOM 833 O LEU A 53 15.892 -2.201 2.660 1.00 0.00 O ATOM 834 CB LEU A 53 12.900 -1.807 3.625 1.00 0.00 C ATOM 835 CG LEU A 53 11.819 -0.874 4.177 1.00 0.00 C ATOM 836 CD1 LEU A 53 10.781 -1.689 4.948 1.00 0.00 C ATOM 837 CD2 LEU A 53 12.462 0.154 5.114 1.00 0.00 C ATOM 0 H LEU A 53 12.088 -1.121 1.399 1.00 0.00 H new ATOM 0 HA LEU A 53 14.333 -0.221 3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.440 -2.647 3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.490 -2.222 4.442 1.00 0.00 H new ATOM 0 HG LEU A 53 11.330 -0.358 3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.013 -1.022 5.340 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.322 -2.419 4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.267 -2.208 5.774 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.693 0.819 5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 53 12.952 -0.362 5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.199 0.738 4.563 1.00 0.00 H new ATOM 849 N GLY A 54 14.638 -2.430 0.867 1.00 0.00 N ATOM 850 CA GLY A 54 15.641 -3.324 0.219 1.00 0.00 C ATOM 851 C GLY A 54 15.091 -4.751 0.151 1.00 0.00 C ATOM 852 O GLY A 54 14.274 -5.137 0.963 1.00 0.00 O ATOM 0 H GLY A 54 13.800 -2.248 0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 54 15.870 -2.964 -0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 54 16.574 -3.310 0.783 1.00 0.00 H new ATOM 856 N PRO A 55 15.563 -5.495 -0.818 1.00 0.00 N ATOM 857 CA PRO A 55 15.111 -6.898 -0.985 1.00 0.00 C ATOM 858 C PRO A 55 15.681 -7.773 0.132 1.00 0.00 C ATOM 859 O PRO A 55 15.087 -8.757 0.529 1.00 0.00 O ATOM 860 CB PRO A 55 15.681 -7.301 -2.344 1.00 0.00 C ATOM 861 CG PRO A 55 16.857 -6.400 -2.551 1.00 0.00 C ATOM 862 CD PRO A 55 16.551 -5.109 -1.836 1.00 0.00 C ATOM 0 HA PRO A 55 14.028 -7.011 -0.937 1.00 0.00 H new ATOM 0 HB2 PRO A 55 15.980 -8.349 -2.352 1.00 0.00 H new ATOM 0 HB3 PRO A 55 14.942 -7.174 -3.135 1.00 0.00 H new ATOM 0 HG2 PRO A 55 17.766 -6.854 -2.156 1.00 0.00 H new ATOM 0 HG3 PRO A 55 17.025 -6.223 -3.613 1.00 0.00 H new ATOM 0 HD2 PRO A 55 17.445 -4.681 -1.383 1.00 0.00 H new ATOM 0 HD3 PRO A 55 16.150 -4.360 -2.518 1.00 0.00 H new ATOM 870 N ALA A 56 16.828 -7.417 0.647 1.00 0.00 N ATOM 871 CA ALA A 56 17.437 -8.220 1.747 1.00 0.00 C ATOM 872 C ALA A 56 16.772 -7.873 3.083 1.00 0.00 C ATOM 873 O ALA A 56 16.864 -8.614 4.042 1.00 0.00 O ATOM 874 CB ALA A 56 18.912 -7.817 1.761 1.00 0.00 C ATOM 0 H ALA A 56 17.370 -6.604 0.353 1.00 0.00 H new ATOM 0 HA ALA A 56 17.309 -9.292 1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 56 19.432 -8.366 2.546 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.362 -8.050 0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 56 18.995 -6.747 1.951 1.00 0.00 H new ATOM 880 N CYS A 57 16.103 -6.752 3.152 1.00 0.00 N ATOM 881 CA CYS A 57 15.430 -6.356 4.424 1.00 0.00 C ATOM 882 C CYS A 57 13.989 -6.872 4.442 1.00 0.00 C ATOM 883 O CYS A 57 13.068 -6.178 4.059 1.00 0.00 O ATOM 884 CB CYS A 57 15.454 -4.827 4.423 1.00 0.00 C ATOM 885 SG CYS A 57 17.151 -4.249 4.672 1.00 0.00 S ATOM 0 H CYS A 57 15.994 -6.093 2.381 1.00 0.00 H new ATOM 0 HA CYS A 57 15.925 -6.771 5.302 1.00 0.00 H new ATOM 0 HB2 CYS A 57 15.064 -4.447 3.479 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.808 -4.442 5.212 1.00 0.00 H new ATOM 0 HG CYS A 57 17.354 -3.180 3.961 1.00 0.00 H new ATOM 891 N ASP A 58 13.788 -8.084 4.886 1.00 0.00 N ATOM 892 CA ASP A 58 12.406 -8.645 4.930 1.00 0.00 C ATOM 893 C ASP A 58 11.623 -8.033 6.095 1.00 0.00 C ATOM 894 O ASP A 58 12.162 -7.297 6.898 1.00 0.00 O ATOM 895 CB ASP A 58 12.592 -10.149 5.144 1.00 0.00 C ATOM 896 CG ASP A 58 12.388 -10.886 3.819 1.00 0.00 C ATOM 897 OD1 ASP A 58 13.057 -10.538 2.860 1.00 0.00 O ATOM 898 OD2 ASP A 58 11.565 -11.787 3.786 1.00 0.00 O ATOM 0 H ASP A 58 14.521 -8.710 5.220 1.00 0.00 H new ATOM 0 HA ASP A 58 11.846 -8.429 4.020 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.590 -10.350 5.534 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.881 -10.511 5.886 1.00 0.00 H new ATOM 903 N LEU A 59 10.356 -8.336 6.193 1.00 0.00 N ATOM 904 CA LEU A 59 9.537 -7.777 7.307 1.00 0.00 C ATOM 905 C LEU A 59 8.584 -8.851 7.839 1.00 0.00 C ATOM 906 O LEU A 59 7.390 -8.646 7.933 1.00 0.00 O ATOM 907 CB LEU A 59 8.748 -6.618 6.690 1.00 0.00 C ATOM 908 CG LEU A 59 9.714 -5.581 6.103 1.00 0.00 C ATOM 909 CD1 LEU A 59 8.912 -4.456 5.443 1.00 0.00 C ATOM 910 CD2 LEU A 59 10.588 -4.996 7.221 1.00 0.00 C ATOM 0 H LEU A 59 9.853 -8.947 5.549 1.00 0.00 H new ATOM 0 HA LEU A 59 10.151 -7.444 8.144 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.085 -6.993 5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.117 -6.152 7.447 1.00 0.00 H new ATOM 0 HG LEU A 59 10.352 -6.061 5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.597 -3.718 5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.293 -4.869 4.646 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.274 -3.979 6.187 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.273 -4.260 6.800 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.953 -4.517 7.966 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.160 -5.796 7.692 1.00 0.00 H new ATOM 922 N THR A 60 9.107 -9.998 8.183 1.00 0.00 N ATOM 923 CA THR A 60 8.240 -11.097 8.704 1.00 0.00 C ATOM 924 C THR A 60 7.430 -10.617 9.914 1.00 0.00 C ATOM 925 O THR A 60 6.391 -11.164 10.232 1.00 0.00 O ATOM 926 CB THR A 60 9.209 -12.210 9.120 1.00 0.00 C ATOM 927 OG1 THR A 60 10.422 -12.087 8.390 1.00 0.00 O ATOM 928 CG2 THR A 60 8.577 -13.570 8.829 1.00 0.00 C ATOM 0 H THR A 60 10.100 -10.222 8.126 1.00 0.00 H new ATOM 0 HA THR A 60 7.522 -11.436 7.957 1.00 0.00 H new ATOM 0 HB THR A 60 9.419 -12.125 10.186 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.092 -11.634 8.943 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.265 -14.362 9.124 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.649 -13.668 9.392 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.365 -13.652 7.763 1.00 0.00 H new ATOM 936 N LEU A 61 7.896 -9.602 10.590 1.00 0.00 N ATOM 937 CA LEU A 61 7.155 -9.089 11.778 1.00 0.00 C ATOM 938 C LEU A 61 6.082 -8.084 11.344 1.00 0.00 C ATOM 939 O LEU A 61 5.000 -8.045 11.895 1.00 0.00 O ATOM 940 CB LEU A 61 8.219 -8.412 12.640 1.00 0.00 C ATOM 941 CG LEU A 61 9.116 -9.478 13.272 1.00 0.00 C ATOM 942 CD1 LEU A 61 10.539 -8.935 13.406 1.00 0.00 C ATOM 943 CD2 LEU A 61 8.578 -9.842 14.657 1.00 0.00 C ATOM 0 H LEU A 61 8.759 -9.105 10.370 1.00 0.00 H new ATOM 0 HA LEU A 61 6.637 -9.881 12.319 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.816 -7.732 12.032 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.745 -7.812 13.417 1.00 0.00 H new ATOM 0 HG LEU A 61 9.124 -10.366 12.640 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.178 -9.695 13.856 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.924 -8.676 12.420 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.531 -8.047 14.038 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.217 -10.602 15.107 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.569 -8.954 15.289 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.564 -10.230 14.563 1.00 0.00 H new ATOM 955 N PHE A 62 6.371 -7.275 10.355 1.00 0.00 N ATOM 956 CA PHE A 62 5.360 -6.278 9.881 1.00 0.00 C ATOM 957 C PHE A 62 4.058 -6.997 9.509 1.00 0.00 C ATOM 958 O PHE A 62 4.060 -7.948 8.753 1.00 0.00 O ATOM 959 CB PHE A 62 5.994 -5.629 8.649 1.00 0.00 C ATOM 960 CG PHE A 62 5.084 -4.549 8.115 1.00 0.00 C ATOM 961 CD1 PHE A 62 4.865 -3.380 8.857 1.00 0.00 C ATOM 962 CD2 PHE A 62 4.459 -4.714 6.873 1.00 0.00 C ATOM 963 CE1 PHE A 62 4.023 -2.379 8.355 1.00 0.00 C ATOM 964 CE2 PHE A 62 3.618 -3.715 6.373 1.00 0.00 C ATOM 965 CZ PHE A 62 3.399 -2.548 7.113 1.00 0.00 C ATOM 0 H PHE A 62 7.261 -7.261 9.856 1.00 0.00 H new ATOM 0 HA PHE A 62 5.110 -5.539 10.642 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.964 -5.205 8.909 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.171 -6.381 7.880 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.345 -3.251 9.816 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.627 -5.614 6.300 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.855 -1.478 8.926 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.137 -3.844 5.415 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.749 -1.777 6.726 1.00 0.00 H new ATOM 975 N ASP A 63 2.949 -6.563 10.051 1.00 0.00 N ATOM 976 CA ASP A 63 1.653 -7.242 9.739 1.00 0.00 C ATOM 977 C ASP A 63 0.817 -6.438 8.733 1.00 0.00 C ATOM 978 O ASP A 63 -0.330 -6.752 8.491 1.00 0.00 O ATOM 979 CB ASP A 63 0.928 -7.333 11.083 1.00 0.00 C ATOM 980 CG ASP A 63 1.191 -8.703 11.712 1.00 0.00 C ATOM 981 OD1 ASP A 63 2.340 -9.112 11.734 1.00 0.00 O ATOM 982 OD2 ASP A 63 0.238 -9.319 12.161 1.00 0.00 O ATOM 0 H ASP A 63 2.883 -5.773 10.692 1.00 0.00 H new ATOM 0 HA ASP A 63 1.815 -8.217 9.280 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.274 -6.543 11.749 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.143 -7.185 10.942 1.00 0.00 H new ATOM 987 N PHE A 64 1.379 -5.413 8.140 1.00 0.00 N ATOM 988 CA PHE A 64 0.610 -4.599 7.141 1.00 0.00 C ATOM 989 C PHE A 64 -0.710 -4.091 7.748 1.00 0.00 C ATOM 990 O PHE A 64 -0.782 -2.986 8.249 1.00 0.00 O ATOM 991 CB PHE A 64 0.354 -5.551 5.961 1.00 0.00 C ATOM 992 CG PHE A 64 -0.702 -4.975 5.038 1.00 0.00 C ATOM 993 CD1 PHE A 64 -0.483 -3.752 4.392 1.00 0.00 C ATOM 994 CD2 PHE A 64 -1.899 -5.671 4.828 1.00 0.00 C ATOM 995 CE1 PHE A 64 -1.462 -3.226 3.538 1.00 0.00 C ATOM 996 CE2 PHE A 64 -2.876 -5.145 3.974 1.00 0.00 C ATOM 997 CZ PHE A 64 -2.657 -3.923 3.330 1.00 0.00 C ATOM 0 H PHE A 64 2.337 -5.103 8.303 1.00 0.00 H new ATOM 0 HA PHE A 64 1.157 -3.710 6.828 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.280 -5.713 5.409 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.030 -6.523 6.333 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.440 -3.214 4.552 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.069 -6.615 5.325 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.294 -2.282 3.040 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.799 -5.683 3.813 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.411 -3.517 2.672 1.00 0.00 H new ATOM 1007 N LYS A 65 -1.753 -4.882 7.696 1.00 0.00 N ATOM 1008 CA LYS A 65 -3.069 -4.441 8.255 1.00 0.00 C ATOM 1009 C LYS A 65 -2.901 -3.866 9.665 1.00 0.00 C ATOM 1010 O LYS A 65 -3.633 -2.985 10.074 1.00 0.00 O ATOM 1011 CB LYS A 65 -3.929 -5.705 8.292 1.00 0.00 C ATOM 1012 CG LYS A 65 -5.372 -5.353 7.921 1.00 0.00 C ATOM 1013 CD LYS A 65 -5.434 -4.935 6.449 1.00 0.00 C ATOM 1014 CE LYS A 65 -6.888 -4.953 5.973 1.00 0.00 C ATOM 1015 NZ LYS A 65 -7.032 -6.235 5.226 1.00 0.00 N ATOM 0 H LYS A 65 -1.750 -5.817 7.289 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.520 -3.653 7.652 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.534 -6.446 7.597 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.896 -6.151 9.286 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.023 -6.210 8.094 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.735 -4.544 8.555 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.012 -3.938 6.325 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.833 -5.613 5.842 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.580 -4.906 6.814 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.105 -4.097 5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.004 -6.321 4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.366 -6.248 4.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.826 -7.032 5.861 1.00 0.00 H new ATOM 1029 N GLN A 66 -1.945 -4.351 10.410 1.00 0.00 N ATOM 1030 CA GLN A 66 -1.738 -3.823 11.789 1.00 0.00 C ATOM 1031 C GLN A 66 -0.862 -2.568 11.743 1.00 0.00 C ATOM 1032 O GLN A 66 -0.969 -1.697 12.584 1.00 0.00 O ATOM 1033 CB GLN A 66 -1.036 -4.951 12.544 1.00 0.00 C ATOM 1034 CG GLN A 66 -1.955 -6.172 12.609 1.00 0.00 C ATOM 1035 CD GLN A 66 -1.522 -7.077 13.764 1.00 0.00 C ATOM 1036 OE1 GLN A 66 -1.061 -6.603 14.783 1.00 0.00 O ATOM 1037 NE2 GLN A 66 -1.652 -8.370 13.648 1.00 0.00 N ATOM 0 H GLN A 66 -1.300 -5.088 10.125 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.673 -3.538 12.272 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.103 -5.211 12.044 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.778 -4.623 13.551 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.988 -5.855 12.749 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.915 -6.721 11.668 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.039 -8.769 12.793 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.367 -8.982 14.413 1.00 0.00 H new ATOM 1046 N GLY A 67 0.005 -2.469 10.768 1.00 0.00 N ATOM 1047 CA GLY A 67 0.886 -1.270 10.670 1.00 0.00 C ATOM 1048 C GLY A 67 1.797 -1.212 11.895 1.00 0.00 C ATOM 1049 O GLY A 67 2.056 -0.158 12.441 1.00 0.00 O ATOM 0 H GLY A 67 0.140 -3.167 10.037 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.484 -1.317 9.760 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.282 -0.365 10.608 1.00 0.00 H new ATOM 1053 N ILE A 68 2.283 -2.343 12.327 1.00 0.00 N ATOM 1054 CA ILE A 68 3.180 -2.371 13.520 1.00 0.00 C ATOM 1055 C ILE A 68 4.080 -3.605 13.473 1.00 0.00 C ATOM 1056 O ILE A 68 3.800 -4.565 12.781 1.00 0.00 O ATOM 1057 CB ILE A 68 2.253 -2.428 14.741 1.00 0.00 C ATOM 1058 CG1 ILE A 68 1.100 -3.415 14.493 1.00 0.00 C ATOM 1059 CG2 ILE A 68 1.683 -1.034 15.010 1.00 0.00 C ATOM 1060 CD1 ILE A 68 1.182 -4.570 15.491 1.00 0.00 C ATOM 0 H ILE A 68 2.098 -3.253 11.905 1.00 0.00 H new ATOM 0 HA ILE A 68 3.831 -1.498 13.556 1.00 0.00 H new ATOM 0 HB ILE A 68 2.825 -2.767 15.604 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.143 -2.903 14.594 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.151 -3.799 13.474 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.024 -1.072 15.877 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.499 -0.338 15.205 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.119 -0.697 14.140 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.363 -5.266 15.310 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.133 -5.089 15.369 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.109 -4.180 16.506 1.00 0.00 H new ATOM 1072 N LEU A 69 5.160 -3.583 14.204 1.00 0.00 N ATOM 1073 CA LEU A 69 6.086 -4.749 14.206 1.00 0.00 C ATOM 1074 C LEU A 69 5.758 -5.681 15.377 1.00 0.00 C ATOM 1075 O LEU A 69 6.465 -5.725 16.365 1.00 0.00 O ATOM 1076 CB LEU A 69 7.477 -4.137 14.374 1.00 0.00 C ATOM 1077 CG LEU A 69 8.139 -3.983 13.007 1.00 0.00 C ATOM 1078 CD1 LEU A 69 9.325 -3.023 13.118 1.00 0.00 C ATOM 1079 CD2 LEU A 69 8.635 -5.346 12.523 1.00 0.00 C ATOM 0 H LEU A 69 5.441 -2.806 14.801 1.00 0.00 H new ATOM 0 HA LEU A 69 6.009 -5.347 13.298 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.401 -3.166 14.864 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.089 -4.771 15.016 1.00 0.00 H new ATOM 0 HG LEU A 69 7.413 -3.586 12.297 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.797 -2.914 12.142 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.975 -2.050 13.463 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.049 -3.420 13.829 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.108 -5.236 11.547 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.359 -5.743 13.234 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.792 -6.032 12.442 1.00 0.00 H new