USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.104) USER MOD Set 1.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 41 LYS NZ :NH3+ 146:sc= -0.0238 (180deg=0) USER MOD Set 2.2: A 80 MET CE :methyl 152:sc= -0.183 (180deg=-1.62!) USER MOD Set 3.1: A 18 LYS NZ :NH3+ -163:sc= -0.0328 (180deg=-0.384) USER MOD Set 3.2: A 27 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0268 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 16 LYS NZ :NH3+ -166:sc= -0.0453 (180deg=-0.338) USER MOD Single : A 17 THR OG1 : rot 120:sc= -0.889! USER MOD Single : A 21 SER OG : rot 180:sc= -0.077 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -9.11! C(o=-9.1!,f=-13!) USER MOD Single : A 30 CYS SG : rot 180:sc= -1.3 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -126:sc= 0.999 (180deg=-0.874) USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0.645 K(o=0.64,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 8:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 67 HIS : no HE2:sc= -0.0506 K(o=-0.051,f=-1.2) USER MOD Single : A 70 SER OG : rot 37:sc= 1.29 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.685 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 96:sc= 0.458 USER MOD Single : A 81 CYS SG : rot -96:sc= -1.51 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 86 THR OG1 : rot 100:sc= 0.509 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 11.028 23.983 -2.614 1.00 0.00 N ATOM 81 CA ALA A 9 10.575 23.297 -1.410 1.00 0.00 C ATOM 82 C ALA A 9 11.531 22.174 -1.025 1.00 0.00 C ATOM 83 O ALA A 9 11.852 21.311 -1.842 1.00 0.00 O ATOM 84 CB ALA A 9 9.169 22.750 -1.613 1.00 0.00 C ATOM 0 HA ALA A 9 10.558 24.019 -0.594 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.843 22.240 -0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.487 23.572 -1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.169 22.046 -2.445 1.00 0.00 H new ATOM 90 N ARG A 10 11.985 22.193 0.225 1.00 0.00 N ATOM 91 CA ARG A 10 12.907 21.176 0.718 1.00 0.00 C ATOM 92 C ARG A 10 12.243 20.312 1.786 1.00 0.00 C ATOM 93 O ARG A 10 11.546 20.820 2.665 1.00 0.00 O ATOM 94 CB ARG A 10 14.166 21.833 1.287 1.00 0.00 C ATOM 95 CG ARG A 10 13.889 22.779 2.444 1.00 0.00 C ATOM 96 CD ARG A 10 15.174 23.194 3.144 1.00 0.00 C ATOM 97 NE ARG A 10 14.932 23.639 4.514 1.00 0.00 N ATOM 98 CZ ARG A 10 15.896 24.022 5.343 1.00 0.00 C ATOM 99 NH1 ARG A 10 17.160 24.016 4.944 1.00 0.00 N ATOM 100 NH2 ARG A 10 15.596 24.414 6.575 1.00 0.00 N ATOM 0 H ARG A 10 11.730 22.901 0.914 1.00 0.00 H new ATOM 0 HA ARG A 10 13.186 20.536 -0.119 1.00 0.00 H new ATOM 0 HB2 ARG A 10 14.852 21.055 1.621 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.670 22.383 0.492 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.372 23.665 2.075 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.223 22.296 3.159 1.00 0.00 H new ATOM 0 HD2 ARG A 10 15.869 22.355 3.153 1.00 0.00 H new ATOM 0 HD3 ARG A 10 15.651 23.997 2.581 1.00 0.00 H new ATOM 0 HE ARG A 10 13.970 23.657 4.852 1.00 0.00 H new ATOM 0 HH11 ARG A 10 17.395 23.717 3.998 1.00 0.00 H new ATOM 0 HH12 ARG A 10 17.898 24.311 5.583 1.00 0.00 H new ATOM 0 HH21 ARG A 10 14.624 24.421 6.886 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.337 24.708 7.211 1.00 0.00 H new ATOM 114 N PHE A 11 12.465 19.005 1.704 1.00 0.00 N ATOM 115 CA PHE A 11 11.887 18.070 2.662 1.00 0.00 C ATOM 116 C PHE A 11 12.363 18.379 4.078 1.00 0.00 C ATOM 117 O PHE A 11 13.512 18.771 4.289 1.00 0.00 O ATOM 118 CB PHE A 11 12.257 16.632 2.290 1.00 0.00 C ATOM 119 CG PHE A 11 11.575 16.141 1.046 1.00 0.00 C ATOM 120 CD1 PHE A 11 10.327 15.543 1.113 1.00 0.00 C ATOM 121 CD2 PHE A 11 12.183 16.276 -0.192 1.00 0.00 C ATOM 122 CE1 PHE A 11 9.697 15.090 -0.031 1.00 0.00 C ATOM 123 CE2 PHE A 11 11.557 15.825 -1.339 1.00 0.00 C ATOM 124 CZ PHE A 11 10.313 15.230 -1.258 1.00 0.00 C ATOM 0 H PHE A 11 13.041 18.569 0.984 1.00 0.00 H new ATOM 0 HA PHE A 11 10.803 18.179 2.630 1.00 0.00 H new ATOM 0 HB2 PHE A 11 13.336 16.567 2.153 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.001 15.973 3.120 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.841 15.429 2.071 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.156 16.739 -0.261 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.724 14.627 0.035 1.00 0.00 H new ATOM 0 HE2 PHE A 11 12.040 15.938 -2.298 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.824 14.875 -2.153 1.00 0.00 H new ATOM 134 N THR A 12 11.471 18.201 5.048 1.00 0.00 N ATOM 135 CA THR A 12 11.798 18.462 6.444 1.00 0.00 C ATOM 136 C THR A 12 11.746 17.182 7.270 1.00 0.00 C ATOM 137 O THR A 12 12.451 17.049 8.270 1.00 0.00 O ATOM 138 CB THR A 12 10.839 19.498 7.061 1.00 0.00 C ATOM 139 OG1 THR A 12 9.489 19.028 6.974 1.00 0.00 O ATOM 140 CG2 THR A 12 10.961 20.838 6.353 1.00 0.00 C ATOM 0 H THR A 12 10.516 17.877 4.892 1.00 0.00 H new ATOM 0 HA THR A 12 12.812 18.861 6.462 1.00 0.00 H new ATOM 0 HB THR A 12 11.110 19.633 8.108 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.886 19.691 7.370 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.274 21.553 6.806 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.982 21.207 6.446 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.714 20.716 5.298 1.00 0.00 H new ATOM 148 N GLN A 13 10.906 16.243 6.845 1.00 0.00 N ATOM 149 CA GLN A 13 10.762 14.973 7.547 1.00 0.00 C ATOM 150 C GLN A 13 10.910 13.800 6.584 1.00 0.00 C ATOM 151 O GLN A 13 10.063 13.586 5.717 1.00 0.00 O ATOM 152 CB GLN A 13 9.405 14.905 8.249 1.00 0.00 C ATOM 153 CG GLN A 13 9.429 15.441 9.672 1.00 0.00 C ATOM 154 CD GLN A 13 9.772 14.374 10.692 1.00 0.00 C ATOM 155 OE1 GLN A 13 10.906 13.899 10.753 1.00 0.00 O ATOM 156 NE2 GLN A 13 8.790 13.990 11.500 1.00 0.00 N ATOM 0 H GLN A 13 10.315 16.338 6.019 1.00 0.00 H new ATOM 0 HA GLN A 13 11.553 14.908 8.295 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.676 15.471 7.669 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.065 13.870 8.265 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.157 16.250 9.739 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.455 15.868 9.912 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.865 14.411 11.414 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.961 13.274 12.206 1.00 0.00 H new ATOM 165 N ASP A 14 11.990 13.043 6.743 1.00 0.00 N ATOM 166 CA ASP A 14 12.248 11.890 5.888 1.00 0.00 C ATOM 167 C ASP A 14 10.956 11.137 5.586 1.00 0.00 C ATOM 168 O ASP A 14 10.040 11.099 6.409 1.00 0.00 O ATOM 169 CB ASP A 14 13.256 10.951 6.553 1.00 0.00 C ATOM 170 CG ASP A 14 12.821 10.524 7.941 1.00 0.00 C ATOM 171 OD1 ASP A 14 12.039 9.556 8.047 1.00 0.00 O ATOM 172 OD2 ASP A 14 13.265 11.157 8.922 1.00 0.00 O ATOM 0 H ASP A 14 12.701 13.207 7.456 1.00 0.00 H new ATOM 0 HA ASP A 14 12.665 12.252 4.948 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.391 10.067 5.930 1.00 0.00 H new ATOM 0 HB3 ASP A 14 14.224 11.448 6.616 1.00 0.00 H new ATOM 177 N LEU A 15 10.887 10.542 4.401 1.00 0.00 N ATOM 178 CA LEU A 15 9.707 9.791 3.988 1.00 0.00 C ATOM 179 C LEU A 15 9.535 8.537 4.839 1.00 0.00 C ATOM 180 O LEU A 15 10.468 7.751 5.003 1.00 0.00 O ATOM 181 CB LEU A 15 9.811 9.408 2.511 1.00 0.00 C ATOM 182 CG LEU A 15 8.492 9.333 1.742 1.00 0.00 C ATOM 183 CD1 LEU A 15 8.751 9.169 0.253 1.00 0.00 C ATOM 184 CD2 LEU A 15 7.634 8.189 2.265 1.00 0.00 C ATOM 0 H LEU A 15 11.635 10.565 3.708 1.00 0.00 H new ATOM 0 HA LEU A 15 8.834 10.428 4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.458 10.131 2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.304 8.438 2.442 1.00 0.00 H new ATOM 0 HG LEU A 15 7.951 10.267 1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.801 9.117 -0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.325 10.020 -0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.313 8.251 0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.699 8.151 1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.169 7.247 2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.419 8.349 3.322 1.00 0.00 H new ATOM 196 N LYS A 16 8.334 8.354 5.378 1.00 0.00 N ATOM 197 CA LYS A 16 8.036 7.193 6.209 1.00 0.00 C ATOM 198 C LYS A 16 7.076 6.246 5.498 1.00 0.00 C ATOM 199 O LYS A 16 6.475 6.600 4.483 1.00 0.00 O ATOM 200 CB LYS A 16 7.435 7.638 7.545 1.00 0.00 C ATOM 201 CG LYS A 16 8.466 7.818 8.646 1.00 0.00 C ATOM 202 CD LYS A 16 9.090 6.492 9.047 1.00 0.00 C ATOM 203 CE LYS A 16 8.053 5.537 9.619 1.00 0.00 C ATOM 204 NZ LYS A 16 7.328 6.134 10.775 1.00 0.00 N ATOM 0 H LYS A 16 7.551 8.995 5.254 1.00 0.00 H new ATOM 0 HA LYS A 16 8.969 6.662 6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.903 8.578 7.399 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.698 6.902 7.866 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.246 8.501 8.308 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.995 8.277 9.515 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.566 6.036 8.179 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.873 6.666 9.786 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.338 5.269 8.841 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.542 4.615 9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.809 5.389 11.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.011 6.580 11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.657 6.850 10.431 1.00 0.00 H new ATOM 218 N THR A 17 6.934 5.039 6.037 1.00 0.00 N ATOM 219 CA THR A 17 6.047 4.041 5.454 1.00 0.00 C ATOM 220 C THR A 17 5.448 3.141 6.530 1.00 0.00 C ATOM 221 O THR A 17 5.751 3.287 7.714 1.00 0.00 O ATOM 222 CB THR A 17 6.785 3.167 4.422 1.00 0.00 C ATOM 223 OG1 THR A 17 5.938 2.094 3.994 1.00 0.00 O ATOM 224 CG2 THR A 17 8.069 2.602 5.011 1.00 0.00 C ATOM 0 H THR A 17 7.423 4.729 6.877 1.00 0.00 H new ATOM 0 HA THR A 17 5.247 4.585 4.952 1.00 0.00 H new ATOM 0 HB THR A 17 7.041 3.791 3.566 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.795 2.156 3.026 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.573 1.988 4.264 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.724 3.421 5.309 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.832 1.991 5.882 1.00 0.00 H new ATOM 232 N LYS A 18 4.598 2.211 6.110 1.00 0.00 N ATOM 233 CA LYS A 18 3.958 1.285 7.037 1.00 0.00 C ATOM 234 C LYS A 18 4.150 -0.159 6.584 1.00 0.00 C ATOM 235 O LYS A 18 4.616 -0.413 5.474 1.00 0.00 O ATOM 236 CB LYS A 18 2.465 1.599 7.155 1.00 0.00 C ATOM 237 CG LYS A 18 1.683 1.320 5.883 1.00 0.00 C ATOM 238 CD LYS A 18 1.152 -0.103 5.856 1.00 0.00 C ATOM 239 CE LYS A 18 -0.233 -0.194 6.480 1.00 0.00 C ATOM 240 NZ LYS A 18 -1.257 0.514 5.663 1.00 0.00 N ATOM 0 H LYS A 18 4.336 2.078 5.133 1.00 0.00 H new ATOM 0 HA LYS A 18 4.427 1.406 8.013 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.042 1.010 7.969 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.343 2.648 7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.852 2.021 5.805 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.324 1.487 5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.112 -0.458 4.826 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.838 -0.758 6.393 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.515 -1.241 6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.209 0.234 7.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.106 0.681 6.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.874 1.425 5.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.507 -0.069 4.839 1.00 0.00 H new ATOM 254 N GLU A 19 3.786 -1.099 7.450 1.00 0.00 N ATOM 255 CA GLU A 19 3.919 -2.517 7.137 1.00 0.00 C ATOM 256 C GLU A 19 2.549 -3.162 6.943 1.00 0.00 C ATOM 257 O GLU A 19 1.789 -3.328 7.897 1.00 0.00 O ATOM 258 CB GLU A 19 4.681 -3.239 8.250 1.00 0.00 C ATOM 259 CG GLU A 19 3.935 -3.278 9.573 1.00 0.00 C ATOM 260 CD GLU A 19 4.862 -3.438 10.762 1.00 0.00 C ATOM 261 OE1 GLU A 19 5.451 -4.528 10.914 1.00 0.00 O ATOM 262 OE2 GLU A 19 4.999 -2.471 11.541 1.00 0.00 O ATOM 0 H GLU A 19 3.397 -0.905 8.373 1.00 0.00 H new ATOM 0 HA GLU A 19 4.479 -2.606 6.206 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.892 -4.260 7.931 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.642 -2.747 8.399 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.359 -2.360 9.688 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.222 -4.102 9.560 1.00 0.00 H new ATOM 269 N ALA A 20 2.242 -3.523 5.702 1.00 0.00 N ATOM 270 CA ALA A 20 0.966 -4.150 5.382 1.00 0.00 C ATOM 271 C ALA A 20 1.169 -5.557 4.829 1.00 0.00 C ATOM 272 O ALA A 20 2.278 -5.930 4.447 1.00 0.00 O ATOM 273 CB ALA A 20 0.193 -3.297 4.388 1.00 0.00 C ATOM 0 H ALA A 20 2.860 -3.392 4.901 1.00 0.00 H new ATOM 0 HA ALA A 20 0.388 -4.229 6.303 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.758 -3.778 4.158 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.007 -2.313 4.820 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.775 -3.188 3.473 1.00 0.00 H new ATOM 279 N SER A 21 0.091 -6.333 4.789 1.00 0.00 N ATOM 280 CA SER A 21 0.153 -7.701 4.287 1.00 0.00 C ATOM 281 C SER A 21 -0.183 -7.749 2.800 1.00 0.00 C ATOM 282 O SER A 21 -0.831 -6.848 2.270 1.00 0.00 O ATOM 283 CB SER A 21 -0.811 -8.597 5.068 1.00 0.00 C ATOM 284 OG SER A 21 -0.851 -9.903 4.519 1.00 0.00 O ATOM 0 H SER A 21 -0.835 -6.038 5.098 1.00 0.00 H new ATOM 0 HA SER A 21 1.171 -8.067 4.424 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.501 -8.647 6.112 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.810 -8.162 5.053 1.00 0.00 H new ATOM 0 HG SER A 21 -1.472 -10.456 5.036 1.00 0.00 H new ATOM 290 N GLU A 22 0.265 -8.808 2.132 1.00 0.00 N ATOM 291 CA GLU A 22 0.013 -8.974 0.706 1.00 0.00 C ATOM 292 C GLU A 22 -1.458 -8.729 0.380 1.00 0.00 C ATOM 293 O GLU A 22 -2.348 -9.255 1.047 1.00 0.00 O ATOM 294 CB GLU A 22 0.420 -10.377 0.253 1.00 0.00 C ATOM 295 CG GLU A 22 1.898 -10.507 -0.075 1.00 0.00 C ATOM 296 CD GLU A 22 2.256 -11.874 -0.623 1.00 0.00 C ATOM 297 OE1 GLU A 22 2.013 -12.113 -1.825 1.00 0.00 O ATOM 298 OE2 GLU A 22 2.779 -12.705 0.148 1.00 0.00 O ATOM 0 H GLU A 22 0.804 -9.563 2.556 1.00 0.00 H new ATOM 0 HA GLU A 22 0.613 -8.239 0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.167 -11.090 1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.164 -10.649 -0.626 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.173 -9.744 -0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.484 -10.315 0.824 1.00 0.00 H new ATOM 305 N GLY A 23 -1.704 -7.925 -0.650 1.00 0.00 N ATOM 306 CA GLY A 23 -3.067 -7.623 -1.045 1.00 0.00 C ATOM 307 C GLY A 23 -3.665 -6.483 -0.244 1.00 0.00 C ATOM 308 O GLY A 23 -4.848 -6.174 -0.379 1.00 0.00 O ATOM 0 H GLY A 23 -0.984 -7.478 -1.217 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.087 -7.368 -2.104 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.684 -8.513 -0.920 1.00 0.00 H new ATOM 312 N ALA A 24 -2.844 -5.856 0.592 1.00 0.00 N ATOM 313 CA ALA A 24 -3.298 -4.744 1.418 1.00 0.00 C ATOM 314 C ALA A 24 -2.896 -3.406 0.806 1.00 0.00 C ATOM 315 O ALA A 24 -2.264 -3.359 -0.250 1.00 0.00 O ATOM 316 CB ALA A 24 -2.740 -4.871 2.828 1.00 0.00 C ATOM 0 H ALA A 24 -1.861 -6.099 0.715 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.386 -4.780 1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.087 -4.034 3.434 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.082 -5.806 3.272 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.651 -4.864 2.790 1.00 0.00 H new ATOM 322 N THR A 25 -3.266 -2.319 1.476 1.00 0.00 N ATOM 323 CA THR A 25 -2.945 -0.980 0.997 1.00 0.00 C ATOM 324 C THR A 25 -2.044 -0.245 1.983 1.00 0.00 C ATOM 325 O THR A 25 -2.427 -0.004 3.127 1.00 0.00 O ATOM 326 CB THR A 25 -4.219 -0.147 0.764 1.00 0.00 C ATOM 327 OG1 THR A 25 -5.234 -0.960 0.164 1.00 0.00 O ATOM 328 CG2 THR A 25 -3.927 1.049 -0.130 1.00 0.00 C ATOM 0 H THR A 25 -3.788 -2.340 2.352 1.00 0.00 H new ATOM 0 HA THR A 25 -2.420 -1.100 0.049 1.00 0.00 H new ATOM 0 HB THR A 25 -4.570 0.217 1.730 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.041 -0.423 0.021 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.842 1.623 -0.281 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.176 1.682 0.343 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.554 0.701 -1.093 1.00 0.00 H new ATOM 336 N ALA A 26 -0.845 0.109 1.531 1.00 0.00 N ATOM 337 CA ALA A 26 0.109 0.819 2.374 1.00 0.00 C ATOM 338 C ALA A 26 -0.196 2.313 2.409 1.00 0.00 C ATOM 339 O ALA A 26 -1.002 2.812 1.623 1.00 0.00 O ATOM 340 CB ALA A 26 1.528 0.580 1.881 1.00 0.00 C ATOM 0 H ALA A 26 -0.512 -0.084 0.587 1.00 0.00 H new ATOM 0 HA ALA A 26 0.018 0.432 3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.230 1.116 2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.750 -0.487 1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.623 0.939 0.856 1.00 0.00 H new ATOM 346 N THR A 27 0.453 3.023 3.327 1.00 0.00 N ATOM 347 CA THR A 27 0.250 4.459 3.466 1.00 0.00 C ATOM 348 C THR A 27 1.506 5.143 3.995 1.00 0.00 C ATOM 349 O THR A 27 1.919 4.912 5.132 1.00 0.00 O ATOM 350 CB THR A 27 -0.927 4.772 4.409 1.00 0.00 C ATOM 351 OG1 THR A 27 -2.005 3.861 4.165 1.00 0.00 O ATOM 352 CG2 THR A 27 -1.410 6.201 4.217 1.00 0.00 C ATOM 0 H THR A 27 1.124 2.626 3.985 1.00 0.00 H new ATOM 0 HA THR A 27 0.021 4.843 2.472 1.00 0.00 H new ATOM 0 HB THR A 27 -0.581 4.658 5.436 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.749 4.065 4.769 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.241 6.398 4.894 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.595 6.892 4.432 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.740 6.338 3.187 1.00 0.00 H new ATOM 360 N LEU A 28 2.109 5.987 3.164 1.00 0.00 N ATOM 361 CA LEU A 28 3.318 6.706 3.549 1.00 0.00 C ATOM 362 C LEU A 28 3.014 8.176 3.823 1.00 0.00 C ATOM 363 O LEU A 28 2.234 8.801 3.105 1.00 0.00 O ATOM 364 CB LEU A 28 4.376 6.589 2.450 1.00 0.00 C ATOM 365 CG LEU A 28 4.857 5.173 2.130 1.00 0.00 C ATOM 366 CD1 LEU A 28 4.032 4.572 1.002 1.00 0.00 C ATOM 367 CD2 LEU A 28 6.334 5.181 1.766 1.00 0.00 C ATOM 0 H LEU A 28 1.780 6.190 2.220 1.00 0.00 H new ATOM 0 HA LEU A 28 3.702 6.257 4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.974 7.030 1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.240 7.188 2.739 1.00 0.00 H new ATOM 0 HG LEU A 28 4.726 4.556 3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.388 3.564 0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.984 4.531 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.132 5.190 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.659 4.165 1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.490 5.813 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.913 5.570 2.603 1.00 0.00 H new ATOM 379 N GLN A 29 3.636 8.719 4.864 1.00 0.00 N ATOM 380 CA GLN A 29 3.432 10.116 5.231 1.00 0.00 C ATOM 381 C GLN A 29 4.754 10.876 5.234 1.00 0.00 C ATOM 382 O GLN A 29 5.742 10.421 5.811 1.00 0.00 O ATOM 383 CB GLN A 29 2.772 10.212 6.607 1.00 0.00 C ATOM 384 CG GLN A 29 1.299 9.836 6.603 1.00 0.00 C ATOM 385 CD GLN A 29 1.013 8.603 5.768 1.00 0.00 C ATOM 386 OE1 GLN A 29 0.358 8.681 4.729 1.00 0.00 O ATOM 387 NE2 GLN A 29 1.506 7.456 6.219 1.00 0.00 N ATOM 0 H GLN A 29 4.285 8.214 5.468 1.00 0.00 H new ATOM 0 HA GLN A 29 2.775 10.569 4.488 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.303 9.561 7.301 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.877 11.230 6.981 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.970 9.661 7.627 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.715 10.673 6.220 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.044 7.438 7.086 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.347 6.593 5.699 1.00 0.00 H new ATOM 396 N CYS A 30 4.765 12.035 4.585 1.00 0.00 N ATOM 397 CA CYS A 30 5.967 12.859 4.512 1.00 0.00 C ATOM 398 C CYS A 30 5.625 14.335 4.684 1.00 0.00 C ATOM 399 O CYS A 30 4.489 14.749 4.457 1.00 0.00 O ATOM 400 CB CYS A 30 6.680 12.640 3.177 1.00 0.00 C ATOM 401 SG CYS A 30 5.885 13.458 1.773 1.00 0.00 S ATOM 0 H CYS A 30 3.956 12.425 4.102 1.00 0.00 H new ATOM 0 HA CYS A 30 6.632 12.562 5.323 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.705 13.001 3.261 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.734 11.570 2.977 1.00 0.00 H new ATOM 0 HG CYS A 30 6.562 13.216 0.690 1.00 0.00 H new ATOM 407 N GLU A 31 6.617 15.124 5.087 1.00 0.00 N ATOM 408 CA GLU A 31 6.420 16.554 5.292 1.00 0.00 C ATOM 409 C GLU A 31 7.290 17.366 4.337 1.00 0.00 C ATOM 410 O GLU A 31 8.190 16.828 3.690 1.00 0.00 O ATOM 411 CB GLU A 31 6.740 16.934 6.739 1.00 0.00 C ATOM 412 CG GLU A 31 5.942 18.122 7.248 1.00 0.00 C ATOM 413 CD GLU A 31 5.814 18.135 8.759 1.00 0.00 C ATOM 414 OE1 GLU A 31 5.589 17.056 9.346 1.00 0.00 O ATOM 415 OE2 GLU A 31 5.940 19.226 9.355 1.00 0.00 O ATOM 0 H GLU A 31 7.564 14.797 5.278 1.00 0.00 H new ATOM 0 HA GLU A 31 5.374 16.783 5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.547 16.075 7.382 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.803 17.160 6.820 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.421 19.044 6.920 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.947 18.104 6.803 1.00 0.00 H new ATOM 422 N LEU A 32 7.015 18.663 4.253 1.00 0.00 N ATOM 423 CA LEU A 32 7.772 19.550 3.377 1.00 0.00 C ATOM 424 C LEU A 32 7.958 20.921 4.019 1.00 0.00 C ATOM 425 O LEU A 32 7.262 21.270 4.973 1.00 0.00 O ATOM 426 CB LEU A 32 7.062 19.697 2.030 1.00 0.00 C ATOM 427 CG LEU A 32 6.988 18.435 1.169 1.00 0.00 C ATOM 428 CD1 LEU A 32 5.926 18.586 0.091 1.00 0.00 C ATOM 429 CD2 LEU A 32 8.343 18.133 0.547 1.00 0.00 C ATOM 0 H LEU A 32 6.274 19.124 4.781 1.00 0.00 H new ATOM 0 HA LEU A 32 8.755 19.108 3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.046 20.047 2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.569 20.474 1.458 1.00 0.00 H new ATOM 0 HG LEU A 32 6.710 17.598 1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.888 17.679 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.955 18.753 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.173 19.435 -0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.271 17.232 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.651 18.970 -0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.079 17.980 1.336 1.00 0.00 H new ATOM 441 N SER A 33 8.899 21.695 3.488 1.00 0.00 N ATOM 442 CA SER A 33 9.177 23.028 4.010 1.00 0.00 C ATOM 443 C SER A 33 8.084 24.010 3.602 1.00 0.00 C ATOM 444 O SER A 33 7.891 25.044 4.242 1.00 0.00 O ATOM 445 CB SER A 33 10.536 23.522 3.509 1.00 0.00 C ATOM 446 OG SER A 33 10.785 24.849 3.937 1.00 0.00 O ATOM 0 H SER A 33 9.482 21.422 2.697 1.00 0.00 H new ATOM 0 HA SER A 33 9.199 22.968 5.098 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.324 22.864 3.876 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.564 23.476 2.420 1.00 0.00 H new ATOM 0 HG SER A 33 11.660 25.141 3.605 1.00 0.00 H new ATOM 452 N LYS A 34 7.371 23.680 2.531 1.00 0.00 N ATOM 453 CA LYS A 34 6.295 24.531 2.035 1.00 0.00 C ATOM 454 C LYS A 34 5.537 23.845 0.903 1.00 0.00 C ATOM 455 O LYS A 34 6.085 22.996 0.200 1.00 0.00 O ATOM 456 CB LYS A 34 6.858 25.868 1.548 1.00 0.00 C ATOM 457 CG LYS A 34 7.731 25.747 0.311 1.00 0.00 C ATOM 458 CD LYS A 34 7.752 27.041 -0.485 1.00 0.00 C ATOM 459 CE LYS A 34 8.195 26.805 -1.921 1.00 0.00 C ATOM 460 NZ LYS A 34 9.649 26.494 -2.009 1.00 0.00 N ATOM 0 H LYS A 34 7.519 22.829 1.989 1.00 0.00 H new ATOM 0 HA LYS A 34 5.601 24.713 2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.031 26.544 1.334 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.440 26.321 2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.747 25.483 0.606 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.362 24.937 -0.318 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.759 27.489 -0.479 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.426 27.752 -0.007 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.621 25.982 -2.347 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.976 27.690 -2.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.104 27.146 -2.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.085 26.603 -1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.775 25.516 -2.338 1.00 0.00 H new ATOM 474 N VAL A 35 4.273 24.219 0.732 1.00 0.00 N ATOM 475 CA VAL A 35 3.440 23.641 -0.316 1.00 0.00 C ATOM 476 C VAL A 35 4.132 23.717 -1.673 1.00 0.00 C ATOM 477 O VAL A 35 4.374 24.803 -2.198 1.00 0.00 O ATOM 478 CB VAL A 35 2.078 24.354 -0.408 1.00 0.00 C ATOM 479 CG1 VAL A 35 1.201 23.699 -1.464 1.00 0.00 C ATOM 480 CG2 VAL A 35 1.385 24.355 0.947 1.00 0.00 C ATOM 0 H VAL A 35 3.803 24.920 1.306 1.00 0.00 H new ATOM 0 HA VAL A 35 3.278 22.596 -0.051 1.00 0.00 H new ATOM 0 HB VAL A 35 2.249 25.389 -0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.243 24.217 -1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.695 23.756 -2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.035 22.654 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.424 24.863 0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.225 23.328 1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.008 24.875 1.674 1.00 0.00 H new ATOM 490 N ALA A 36 4.449 22.555 -2.234 1.00 0.00 N ATOM 491 CA ALA A 36 5.112 22.488 -3.531 1.00 0.00 C ATOM 492 C ALA A 36 4.826 21.162 -4.226 1.00 0.00 C ATOM 493 O ALA A 36 4.551 20.145 -3.588 1.00 0.00 O ATOM 494 CB ALA A 36 6.611 22.689 -3.369 1.00 0.00 C ATOM 0 H ALA A 36 4.257 21.647 -1.811 1.00 0.00 H new ATOM 0 HA ALA A 36 4.715 23.288 -4.156 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.093 22.636 -4.345 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.801 23.665 -2.923 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.015 21.910 -2.723 1.00 0.00 H new ATOM 500 N PRO A 37 4.891 21.168 -5.566 1.00 0.00 N ATOM 501 CA PRO A 37 4.643 19.973 -6.377 1.00 0.00 C ATOM 502 C PRO A 37 5.748 18.933 -6.231 1.00 0.00 C ATOM 503 O PRO A 37 6.933 19.267 -6.237 1.00 0.00 O ATOM 504 CB PRO A 37 4.605 20.516 -7.808 1.00 0.00 C ATOM 505 CG PRO A 37 5.423 21.760 -7.762 1.00 0.00 C ATOM 506 CD PRO A 37 5.213 22.344 -6.392 1.00 0.00 C ATOM 0 HA PRO A 37 3.729 19.460 -6.077 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.017 19.797 -8.516 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.583 20.725 -8.125 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.477 21.541 -7.935 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.112 22.461 -8.537 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.106 22.856 -6.032 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.403 23.073 -6.386 1.00 0.00 H new ATOM 514 N VAL A 38 5.354 17.670 -6.100 1.00 0.00 N ATOM 515 CA VAL A 38 6.312 16.581 -5.954 1.00 0.00 C ATOM 516 C VAL A 38 5.902 15.373 -6.789 1.00 0.00 C ATOM 517 O VAL A 38 4.770 15.291 -7.264 1.00 0.00 O ATOM 518 CB VAL A 38 6.452 16.150 -4.482 1.00 0.00 C ATOM 519 CG1 VAL A 38 6.858 17.333 -3.615 1.00 0.00 C ATOM 520 CG2 VAL A 38 5.154 15.533 -3.982 1.00 0.00 C ATOM 0 H VAL A 38 4.377 17.376 -6.092 1.00 0.00 H new ATOM 0 HA VAL A 38 7.273 16.955 -6.308 1.00 0.00 H new ATOM 0 HB VAL A 38 7.236 15.396 -4.415 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.952 17.009 -2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.814 17.726 -3.960 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.099 18.112 -3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.271 15.234 -2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.349 16.264 -4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.911 14.658 -4.585 1.00 0.00 H new ATOM 530 N GLU A 39 6.831 14.438 -6.962 1.00 0.00 N ATOM 531 CA GLU A 39 6.565 13.234 -7.740 1.00 0.00 C ATOM 532 C GLU A 39 7.229 12.016 -7.102 1.00 0.00 C ATOM 533 O GLU A 39 8.447 11.982 -6.926 1.00 0.00 O ATOM 534 CB GLU A 39 7.065 13.407 -9.176 1.00 0.00 C ATOM 535 CG GLU A 39 6.910 12.159 -10.029 1.00 0.00 C ATOM 536 CD GLU A 39 7.668 12.251 -11.340 1.00 0.00 C ATOM 537 OE1 GLU A 39 7.100 12.783 -12.316 1.00 0.00 O ATOM 538 OE2 GLU A 39 8.827 11.791 -11.389 1.00 0.00 O ATOM 0 H GLU A 39 7.773 14.491 -6.574 1.00 0.00 H new ATOM 0 HA GLU A 39 5.487 13.073 -7.755 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.521 14.227 -9.645 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.116 13.693 -9.154 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.264 11.294 -9.469 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.853 11.994 -10.236 1.00 0.00 H new ATOM 545 N TRP A 40 6.419 11.021 -6.759 1.00 0.00 N ATOM 546 CA TRP A 40 6.927 9.802 -6.140 1.00 0.00 C ATOM 547 C TRP A 40 7.526 8.869 -7.186 1.00 0.00 C ATOM 548 O TRP A 40 7.096 8.855 -8.340 1.00 0.00 O ATOM 549 CB TRP A 40 5.808 9.086 -5.381 1.00 0.00 C ATOM 550 CG TRP A 40 5.197 9.922 -4.297 1.00 0.00 C ATOM 551 CD1 TRP A 40 4.506 11.089 -4.453 1.00 0.00 C ATOM 552 CD2 TRP A 40 5.225 9.654 -2.891 1.00 0.00 C ATOM 553 NE1 TRP A 40 4.101 11.563 -3.229 1.00 0.00 N ATOM 554 CE2 TRP A 40 4.529 10.701 -2.254 1.00 0.00 C ATOM 555 CE3 TRP A 40 5.767 8.632 -2.108 1.00 0.00 C ATOM 556 CZ2 TRP A 40 4.365 10.753 -0.873 1.00 0.00 C ATOM 557 CZ3 TRP A 40 5.603 8.685 -0.737 1.00 0.00 C ATOM 558 CH2 TRP A 40 4.906 9.739 -0.130 1.00 0.00 C ATOM 0 H TRP A 40 5.409 11.034 -6.899 1.00 0.00 H new ATOM 0 HA TRP A 40 7.712 10.081 -5.437 1.00 0.00 H new ATOM 0 HB2 TRP A 40 5.030 8.793 -6.086 1.00 0.00 H new ATOM 0 HB3 TRP A 40 6.204 8.169 -4.944 1.00 0.00 H new ATOM 0 HD1 TRP A 40 4.307 11.569 -5.400 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.568 12.418 -3.072 1.00 0.00 H new ATOM 0 HE3 TRP A 40 6.305 7.815 -2.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 3.829 11.565 -0.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 6.019 7.901 -0.122 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.794 9.751 0.944 1.00 0.00 H new ATOM 569 N LYS A 41 8.521 8.090 -6.778 1.00 0.00 N ATOM 570 CA LYS A 41 9.179 7.152 -7.680 1.00 0.00 C ATOM 571 C LYS A 41 9.479 5.835 -6.971 1.00 0.00 C ATOM 572 O LYS A 41 9.709 5.807 -5.761 1.00 0.00 O ATOM 573 CB LYS A 41 10.475 7.758 -8.223 1.00 0.00 C ATOM 574 CG LYS A 41 10.293 8.513 -9.528 1.00 0.00 C ATOM 575 CD LYS A 41 11.535 8.428 -10.399 1.00 0.00 C ATOM 576 CE LYS A 41 11.429 9.339 -11.612 1.00 0.00 C ATOM 577 NZ LYS A 41 12.767 9.786 -12.089 1.00 0.00 N ATOM 0 H LYS A 41 8.890 8.089 -5.827 1.00 0.00 H new ATOM 0 HA LYS A 41 8.503 6.951 -8.511 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.891 8.435 -7.476 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.204 6.962 -8.372 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.439 8.105 -10.069 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.067 9.558 -9.316 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.412 8.702 -9.812 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.681 7.399 -10.727 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.914 8.814 -12.416 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.824 10.210 -11.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.753 9.880 -13.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.999 10.705 -11.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.485 9.085 -11.815 1.00 0.00 H new ATOM 591 N LYS A 42 9.478 4.745 -7.731 1.00 0.00 N ATOM 592 CA LYS A 42 9.753 3.425 -7.177 1.00 0.00 C ATOM 593 C LYS A 42 10.963 2.791 -7.856 1.00 0.00 C ATOM 594 O LYS A 42 11.170 1.581 -7.775 1.00 0.00 O ATOM 595 CB LYS A 42 8.531 2.517 -7.337 1.00 0.00 C ATOM 596 CG LYS A 42 8.685 1.165 -6.662 1.00 0.00 C ATOM 597 CD LYS A 42 7.340 0.488 -6.459 1.00 0.00 C ATOM 598 CE LYS A 42 7.472 -1.028 -6.474 1.00 0.00 C ATOM 599 NZ LYS A 42 6.237 -1.687 -6.981 1.00 0.00 N ATOM 0 H LYS A 42 9.290 4.750 -8.733 1.00 0.00 H new ATOM 0 HA LYS A 42 9.974 3.543 -6.116 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.657 3.022 -6.925 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.339 2.364 -8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.328 0.526 -7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.179 1.292 -5.699 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.910 0.808 -5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.651 0.802 -7.243 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.318 -1.313 -7.099 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.686 -1.384 -5.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.417 -2.702 -7.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.469 -1.563 -6.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.961 -1.257 -7.887 1.00 0.00 H new ATOM 613 N GLY A 43 11.761 3.617 -8.526 1.00 0.00 N ATOM 614 CA GLY A 43 12.941 3.119 -9.208 1.00 0.00 C ATOM 615 C GLY A 43 13.255 3.900 -10.468 1.00 0.00 C ATOM 616 O GLY A 43 13.083 5.118 -10.529 1.00 0.00 O ATOM 0 H GLY A 43 11.611 4.623 -8.609 1.00 0.00 H new ATOM 0 HA2 GLY A 43 13.795 3.167 -8.532 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.794 2.069 -9.462 1.00 0.00 H new ATOM 620 N PRO A 44 13.730 3.193 -11.504 1.00 0.00 N ATOM 621 CA PRO A 44 14.080 3.807 -12.788 1.00 0.00 C ATOM 622 C PRO A 44 12.853 4.290 -13.554 1.00 0.00 C ATOM 623 O PRO A 44 12.965 4.781 -14.677 1.00 0.00 O ATOM 624 CB PRO A 44 14.772 2.673 -13.548 1.00 0.00 C ATOM 625 CG PRO A 44 14.219 1.425 -12.950 1.00 0.00 C ATOM 626 CD PRO A 44 13.961 1.738 -11.502 1.00 0.00 C ATOM 0 HA PRO A 44 14.701 4.693 -12.659 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.563 2.727 -14.616 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.855 2.722 -13.432 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.300 1.125 -13.454 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.923 0.599 -13.051 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.096 1.194 -11.121 1.00 0.00 H new ATOM 0 HD3 PRO A 44 14.810 1.467 -10.875 1.00 0.00 H new ATOM 634 N GLU A 45 11.683 4.148 -12.938 1.00 0.00 N ATOM 635 CA GLU A 45 10.435 4.570 -13.563 1.00 0.00 C ATOM 636 C GLU A 45 9.789 5.706 -12.776 1.00 0.00 C ATOM 637 O GLU A 45 10.221 6.035 -11.670 1.00 0.00 O ATOM 638 CB GLU A 45 9.466 3.391 -13.667 1.00 0.00 C ATOM 639 CG GLU A 45 9.587 2.616 -14.969 1.00 0.00 C ATOM 640 CD GLU A 45 9.241 1.149 -14.809 1.00 0.00 C ATOM 641 OE1 GLU A 45 8.209 0.848 -14.173 1.00 0.00 O ATOM 642 OE2 GLU A 45 10.002 0.301 -15.321 1.00 0.00 O ATOM 0 H GLU A 45 11.574 3.744 -12.008 1.00 0.00 H new ATOM 0 HA GLU A 45 10.665 4.931 -14.565 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.642 2.712 -12.832 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.445 3.761 -13.568 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.929 3.061 -15.715 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.605 2.706 -15.348 1.00 0.00 H new ATOM 649 N THR A 46 8.751 6.303 -13.353 1.00 0.00 N ATOM 650 CA THR A 46 8.045 7.403 -12.707 1.00 0.00 C ATOM 651 C THR A 46 6.640 6.984 -12.289 1.00 0.00 C ATOM 652 O THR A 46 6.018 6.134 -12.927 1.00 0.00 O ATOM 653 CB THR A 46 7.949 8.629 -13.633 1.00 0.00 C ATOM 654 OG1 THR A 46 9.250 9.187 -13.845 1.00 0.00 O ATOM 655 CG2 THR A 46 7.029 9.685 -13.039 1.00 0.00 C ATOM 0 H THR A 46 8.380 6.043 -14.267 1.00 0.00 H new ATOM 0 HA THR A 46 8.620 7.671 -11.821 1.00 0.00 H new ATOM 0 HB THR A 46 7.535 8.304 -14.587 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.180 9.965 -14.436 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.977 10.542 -13.711 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.031 9.266 -12.907 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.419 10.005 -12.073 1.00 0.00 H new ATOM 663 N LEU A 47 6.145 7.586 -11.213 1.00 0.00 N ATOM 664 CA LEU A 47 4.811 7.276 -10.709 1.00 0.00 C ATOM 665 C LEU A 47 3.967 8.541 -10.588 1.00 0.00 C ATOM 666 O LEU A 47 4.499 9.644 -10.458 1.00 0.00 O ATOM 667 CB LEU A 47 4.907 6.581 -9.350 1.00 0.00 C ATOM 668 CG LEU A 47 5.661 5.252 -9.327 1.00 0.00 C ATOM 669 CD1 LEU A 47 6.345 5.049 -7.984 1.00 0.00 C ATOM 670 CD2 LEU A 47 4.716 4.097 -9.626 1.00 0.00 C ATOM 0 H LEU A 47 6.647 8.291 -10.673 1.00 0.00 H new ATOM 0 HA LEU A 47 4.327 6.606 -11.420 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.390 7.262 -8.650 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.896 6.409 -8.981 1.00 0.00 H new ATOM 0 HG LEU A 47 6.427 5.278 -10.102 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.877 4.097 -7.987 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.053 5.860 -7.810 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.597 5.044 -7.192 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.270 3.159 -9.605 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.927 4.069 -8.875 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.273 4.235 -10.612 1.00 0.00 H new ATOM 682 N ARG A 48 2.650 8.373 -10.630 1.00 0.00 N ATOM 683 CA ARG A 48 1.732 9.501 -10.524 1.00 0.00 C ATOM 684 C ARG A 48 0.350 9.037 -10.074 1.00 0.00 C ATOM 685 O ARG A 48 -0.004 7.868 -10.227 1.00 0.00 O ATOM 686 CB ARG A 48 1.626 10.228 -11.867 1.00 0.00 C ATOM 687 CG ARG A 48 0.839 9.458 -12.915 1.00 0.00 C ATOM 688 CD ARG A 48 0.136 10.397 -13.884 1.00 0.00 C ATOM 689 NE ARG A 48 -0.610 9.669 -14.907 1.00 0.00 N ATOM 690 CZ ARG A 48 -1.419 10.254 -15.782 1.00 0.00 C ATOM 691 NH1 ARG A 48 -1.586 11.569 -15.760 1.00 0.00 N ATOM 692 NH2 ARG A 48 -2.064 9.524 -16.683 1.00 0.00 N ATOM 0 H ARG A 48 2.194 7.467 -10.737 1.00 0.00 H new ATOM 0 HA ARG A 48 2.126 10.189 -9.776 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.153 11.198 -11.710 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.629 10.420 -12.247 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.511 8.801 -13.466 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.103 8.822 -12.424 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.544 11.045 -13.332 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.873 11.042 -14.363 1.00 0.00 H new ATOM 0 HE ARG A 48 -0.504 8.656 -14.952 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.092 12.134 -15.069 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.208 12.015 -16.434 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.939 8.512 -16.704 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.685 9.975 -17.355 1.00 0.00 H new ATOM 706 N ASP A 49 -0.427 9.961 -9.520 1.00 0.00 N ATOM 707 CA ASP A 49 -1.771 9.648 -9.048 1.00 0.00 C ATOM 708 C ASP A 49 -2.691 9.307 -10.216 1.00 0.00 C ATOM 709 O ASP A 49 -2.895 10.119 -11.117 1.00 0.00 O ATOM 710 CB ASP A 49 -2.345 10.825 -8.257 1.00 0.00 C ATOM 711 CG ASP A 49 -3.000 11.858 -9.152 1.00 0.00 C ATOM 712 OD1 ASP A 49 -2.288 12.463 -9.980 1.00 0.00 O ATOM 713 OD2 ASP A 49 -4.226 12.063 -9.023 1.00 0.00 O ATOM 0 H ASP A 49 -0.149 10.933 -9.387 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.706 8.779 -8.394 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.076 10.454 -7.539 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.547 11.298 -7.684 1.00 0.00 H new ATOM 756 N TYR A 53 -1.966 3.711 -7.505 1.00 0.00 N ATOM 757 CA TYR A 53 -1.193 4.569 -6.614 1.00 0.00 C ATOM 758 C TYR A 53 -1.904 5.898 -6.384 1.00 0.00 C ATOM 759 O TYR A 53 -2.018 6.719 -7.294 1.00 0.00 O ATOM 760 CB TYR A 53 0.201 4.817 -7.193 1.00 0.00 C ATOM 761 CG TYR A 53 1.051 3.569 -7.281 1.00 0.00 C ATOM 762 CD1 TYR A 53 1.711 3.075 -6.163 1.00 0.00 C ATOM 763 CD2 TYR A 53 1.196 2.886 -8.482 1.00 0.00 C ATOM 764 CE1 TYR A 53 2.489 1.936 -6.238 1.00 0.00 C ATOM 765 CE2 TYR A 53 1.971 1.746 -8.567 1.00 0.00 C ATOM 766 CZ TYR A 53 2.616 1.275 -7.442 1.00 0.00 C ATOM 767 OH TYR A 53 3.390 0.140 -7.522 1.00 0.00 O ATOM 0 HA TYR A 53 -1.096 4.060 -5.655 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.100 5.249 -8.189 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.715 5.554 -6.577 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.614 3.590 -5.219 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.694 3.253 -9.365 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.995 1.565 -5.359 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.072 1.226 -9.508 1.00 0.00 H new ATOM 0 HH TYR A 53 3.373 -0.204 -8.440 1.00 0.00 H new ATOM 777 N SER A 54 -2.381 6.103 -5.160 1.00 0.00 N ATOM 778 CA SER A 54 -3.084 7.332 -4.810 1.00 0.00 C ATOM 779 C SER A 54 -2.184 8.263 -4.004 1.00 0.00 C ATOM 780 O SER A 54 -1.731 7.916 -2.912 1.00 0.00 O ATOM 781 CB SER A 54 -4.349 7.010 -4.011 1.00 0.00 C ATOM 782 OG SER A 54 -5.356 7.981 -4.238 1.00 0.00 O ATOM 0 H SER A 54 -2.293 5.434 -4.395 1.00 0.00 H new ATOM 0 HA SER A 54 -3.364 7.837 -5.735 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.720 6.024 -4.292 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.111 6.970 -2.948 1.00 0.00 H new ATOM 0 HG SER A 54 -6.154 7.752 -3.718 1.00 0.00 H new ATOM 788 N LEU A 55 -1.928 9.446 -4.550 1.00 0.00 N ATOM 789 CA LEU A 55 -1.081 10.429 -3.883 1.00 0.00 C ATOM 790 C LEU A 55 -1.852 11.717 -3.611 1.00 0.00 C ATOM 791 O LEU A 55 -2.158 12.477 -4.530 1.00 0.00 O ATOM 792 CB LEU A 55 0.153 10.731 -4.736 1.00 0.00 C ATOM 793 CG LEU A 55 0.826 9.525 -5.393 1.00 0.00 C ATOM 794 CD1 LEU A 55 -0.055 8.958 -6.495 1.00 0.00 C ATOM 795 CD2 LEU A 55 2.191 9.911 -5.943 1.00 0.00 C ATOM 0 H LEU A 55 -2.294 9.748 -5.453 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.762 10.009 -2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.134 11.433 -5.519 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.888 11.236 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 55 0.967 8.753 -4.636 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.440 8.101 -6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.009 8.644 -6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.228 9.723 -7.252 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.656 9.041 -6.407 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.074 10.700 -6.686 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.823 10.269 -5.130 1.00 0.00 H new ATOM 807 N LYS A 56 -2.162 11.958 -2.342 1.00 0.00 N ATOM 808 CA LYS A 56 -2.894 13.155 -1.946 1.00 0.00 C ATOM 809 C LYS A 56 -1.950 14.205 -1.369 1.00 0.00 C ATOM 810 O LYS A 56 -0.991 13.873 -0.673 1.00 0.00 O ATOM 811 CB LYS A 56 -3.971 12.802 -0.917 1.00 0.00 C ATOM 812 CG LYS A 56 -5.092 13.824 -0.836 1.00 0.00 C ATOM 813 CD LYS A 56 -5.995 13.760 -2.056 1.00 0.00 C ATOM 814 CE LYS A 56 -7.282 14.542 -1.839 1.00 0.00 C ATOM 815 NZ LYS A 56 -8.181 14.471 -3.024 1.00 0.00 N ATOM 0 H LYS A 56 -1.917 11.339 -1.569 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.370 13.569 -2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.395 11.829 -1.166 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.507 12.706 0.064 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.682 13.648 0.064 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.668 14.824 -0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.467 14.159 -2.922 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.233 12.720 -2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.802 14.150 -0.965 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.042 15.584 -1.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.047 15.016 -2.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.695 14.868 -3.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.431 13.479 -3.211 1.00 0.00 H new ATOM 829 N GLN A 57 -2.229 15.470 -1.663 1.00 0.00 N ATOM 830 CA GLN A 57 -1.403 16.568 -1.173 1.00 0.00 C ATOM 831 C GLN A 57 -2.171 17.418 -0.166 1.00 0.00 C ATOM 832 O GLN A 57 -3.087 18.156 -0.532 1.00 0.00 O ATOM 833 CB GLN A 57 -0.930 17.438 -2.338 1.00 0.00 C ATOM 834 CG GLN A 57 -0.150 18.668 -1.901 1.00 0.00 C ATOM 835 CD GLN A 57 0.762 19.198 -2.990 1.00 0.00 C ATOM 836 OE1 GLN A 57 0.298 19.683 -4.023 1.00 0.00 O ATOM 837 NE2 GLN A 57 2.067 19.108 -2.764 1.00 0.00 N ATOM 0 H GLN A 57 -3.020 15.761 -2.238 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.534 16.141 -0.673 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -0.305 16.837 -2.999 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.796 17.755 -2.919 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -0.849 19.450 -1.605 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.445 18.423 -1.021 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.407 18.699 -1.894 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.730 19.448 -3.461 1.00 0.00 H new ATOM 846 N ASP A 58 -1.793 17.310 1.103 1.00 0.00 N ATOM 847 CA ASP A 58 -2.445 18.070 2.163 1.00 0.00 C ATOM 848 C ASP A 58 -1.548 19.203 2.651 1.00 0.00 C ATOM 849 O ASP A 58 -0.832 19.059 3.641 1.00 0.00 O ATOM 850 CB ASP A 58 -2.808 17.151 3.330 1.00 0.00 C ATOM 851 CG ASP A 58 -3.967 17.684 4.149 1.00 0.00 C ATOM 852 OD1 ASP A 58 -5.129 17.455 3.752 1.00 0.00 O ATOM 853 OD2 ASP A 58 -3.712 18.329 5.187 1.00 0.00 O ATOM 0 H ASP A 58 -1.038 16.703 1.423 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.358 18.504 1.755 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.063 16.164 2.945 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.938 17.027 3.975 1.00 0.00 H new ATOM 858 N GLY A 59 -1.590 20.331 1.947 1.00 0.00 N ATOM 859 CA GLY A 59 -0.775 21.471 2.324 1.00 0.00 C ATOM 860 C GLY A 59 0.708 21.203 2.160 1.00 0.00 C ATOM 861 O GLY A 59 1.223 21.180 1.042 1.00 0.00 O ATOM 0 H GLY A 59 -2.174 20.475 1.123 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.055 22.331 1.716 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.981 21.734 3.362 1.00 0.00 H new ATOM 865 N THR A 60 1.398 21.001 3.278 1.00 0.00 N ATOM 866 CA THR A 60 2.831 20.737 3.255 1.00 0.00 C ATOM 867 C THR A 60 3.123 19.264 3.519 1.00 0.00 C ATOM 868 O THR A 60 4.259 18.889 3.811 1.00 0.00 O ATOM 869 CB THR A 60 3.577 21.592 4.296 1.00 0.00 C ATOM 870 OG1 THR A 60 3.179 21.212 5.618 1.00 0.00 O ATOM 871 CG2 THR A 60 3.298 23.072 4.082 1.00 0.00 C ATOM 0 H THR A 60 0.987 21.015 4.211 1.00 0.00 H new ATOM 0 HA THR A 60 3.185 21.002 2.259 1.00 0.00 H new ATOM 0 HB THR A 60 4.647 21.420 4.176 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.659 21.759 6.274 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.836 23.655 4.829 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.630 23.364 3.086 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.228 23.258 4.177 1.00 0.00 H new ATOM 879 N ARG A 61 2.091 18.434 3.416 1.00 0.00 N ATOM 880 CA ARG A 61 2.237 17.001 3.645 1.00 0.00 C ATOM 881 C ARG A 61 1.627 16.202 2.497 1.00 0.00 C ATOM 882 O ARG A 61 0.692 16.659 1.837 1.00 0.00 O ATOM 883 CB ARG A 61 1.575 16.604 4.965 1.00 0.00 C ATOM 884 CG ARG A 61 2.499 16.716 6.167 1.00 0.00 C ATOM 885 CD ARG A 61 1.724 17.026 7.438 1.00 0.00 C ATOM 886 NE ARG A 61 0.989 18.284 7.338 1.00 0.00 N ATOM 887 CZ ARG A 61 0.458 18.911 8.382 1.00 0.00 C ATOM 888 NH1 ARG A 61 0.579 18.398 9.599 1.00 0.00 N ATOM 889 NH2 ARG A 61 -0.197 20.052 8.210 1.00 0.00 N ATOM 0 H ARG A 61 1.145 18.729 3.176 1.00 0.00 H new ATOM 0 HA ARG A 61 3.302 16.774 3.698 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.702 17.236 5.128 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.216 15.578 4.888 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.049 15.783 6.293 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.236 17.499 5.989 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.027 16.214 7.644 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.414 17.075 8.280 1.00 0.00 H new ATOM 0 HE ARG A 61 0.877 18.705 6.415 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.081 17.520 9.735 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.171 18.881 10.399 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.293 20.449 7.275 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.604 20.532 9.012 1.00 0.00 H new ATOM 903 N CYS A 62 2.161 15.009 2.264 1.00 0.00 N ATOM 904 CA CYS A 62 1.670 14.146 1.195 1.00 0.00 C ATOM 905 C CYS A 62 1.385 12.742 1.717 1.00 0.00 C ATOM 906 O CYS A 62 2.006 12.289 2.678 1.00 0.00 O ATOM 907 CB CYS A 62 2.688 14.083 0.055 1.00 0.00 C ATOM 908 SG CYS A 62 2.821 15.612 -0.901 1.00 0.00 S ATOM 0 H CYS A 62 2.934 14.617 2.801 1.00 0.00 H new ATOM 0 HA CYS A 62 0.739 14.569 0.818 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.667 13.840 0.469 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.415 13.269 -0.617 1.00 0.00 H new ATOM 0 HG CYS A 62 2.135 16.549 -0.318 1.00 0.00 H new ATOM 914 N GLU A 63 0.441 12.059 1.078 1.00 0.00 N ATOM 915 CA GLU A 63 0.072 10.706 1.480 1.00 0.00 C ATOM 916 C GLU A 63 -0.044 9.790 0.265 1.00 0.00 C ATOM 917 O GLU A 63 -0.875 10.012 -0.617 1.00 0.00 O ATOM 918 CB GLU A 63 -1.250 10.722 2.250 1.00 0.00 C ATOM 919 CG GLU A 63 -1.897 9.353 2.376 1.00 0.00 C ATOM 920 CD GLU A 63 -3.303 9.422 2.939 1.00 0.00 C ATOM 921 OE1 GLU A 63 -3.999 10.426 2.679 1.00 0.00 O ATOM 922 OE2 GLU A 63 -3.707 8.472 3.641 1.00 0.00 O ATOM 0 H GLU A 63 -0.082 12.420 0.280 1.00 0.00 H new ATOM 0 HA GLU A 63 0.857 10.320 2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.075 11.125 3.247 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.944 11.398 1.750 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.925 8.877 1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.283 8.723 3.019 1.00 0.00 H new ATOM 929 N LEU A 64 0.793 8.760 0.227 1.00 0.00 N ATOM 930 CA LEU A 64 0.786 7.809 -0.880 1.00 0.00 C ATOM 931 C LEU A 64 0.100 6.508 -0.475 1.00 0.00 C ATOM 932 O LEU A 64 0.287 6.018 0.638 1.00 0.00 O ATOM 933 CB LEU A 64 2.216 7.522 -1.342 1.00 0.00 C ATOM 934 CG LEU A 64 2.400 6.290 -2.228 1.00 0.00 C ATOM 935 CD1 LEU A 64 1.674 6.471 -3.552 1.00 0.00 C ATOM 936 CD2 LEU A 64 3.879 6.018 -2.462 1.00 0.00 C ATOM 0 H LEU A 64 1.485 8.561 0.949 1.00 0.00 H new ATOM 0 HA LEU A 64 0.227 8.253 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.583 8.393 -1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.846 7.408 -0.460 1.00 0.00 H new ATOM 0 HG LEU A 64 1.969 5.430 -1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.816 5.584 -4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.610 6.617 -3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.075 7.342 -4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.991 5.138 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.334 6.878 -2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.373 5.843 -1.506 1.00 0.00 H new ATOM 948 N GLN A 65 -0.693 5.954 -1.387 1.00 0.00 N ATOM 949 CA GLN A 65 -1.405 4.709 -1.124 1.00 0.00 C ATOM 950 C GLN A 65 -1.151 3.693 -2.233 1.00 0.00 C ATOM 951 O GLN A 65 -1.327 3.992 -3.415 1.00 0.00 O ATOM 952 CB GLN A 65 -2.906 4.974 -0.992 1.00 0.00 C ATOM 953 CG GLN A 65 -3.318 5.464 0.386 1.00 0.00 C ATOM 954 CD GLN A 65 -4.794 5.800 0.469 1.00 0.00 C ATOM 955 OE1 GLN A 65 -5.539 5.615 -0.494 1.00 0.00 O ATOM 956 NE2 GLN A 65 -5.225 6.297 1.623 1.00 0.00 N ATOM 0 H GLN A 65 -0.858 6.347 -2.313 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.032 4.297 -0.186 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.203 5.714 -1.735 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.450 4.057 -1.220 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.081 4.699 1.125 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.733 6.347 0.643 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.572 6.434 2.395 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.209 6.542 1.737 1.00 0.00 H new ATOM 965 N ILE A 66 -0.737 2.492 -1.844 1.00 0.00 N ATOM 966 CA ILE A 66 -0.460 1.432 -2.806 1.00 0.00 C ATOM 967 C ILE A 66 -1.459 0.288 -2.665 1.00 0.00 C ATOM 968 O ILE A 66 -1.292 -0.597 -1.825 1.00 0.00 O ATOM 969 CB ILE A 66 0.966 0.877 -2.636 1.00 0.00 C ATOM 970 CG1 ILE A 66 1.980 2.022 -2.584 1.00 0.00 C ATOM 971 CG2 ILE A 66 1.300 -0.082 -3.770 1.00 0.00 C ATOM 972 CD1 ILE A 66 3.220 1.695 -1.783 1.00 0.00 C ATOM 0 H ILE A 66 -0.586 2.229 -0.870 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.554 1.873 -3.798 1.00 0.00 H new ATOM 0 HB ILE A 66 1.017 0.329 -1.695 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.273 2.284 -3.601 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.501 2.902 -2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.311 -0.466 -3.636 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.593 -0.912 -3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.235 0.444 -4.722 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.894 2.552 -1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.939 1.462 -0.756 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.723 0.835 -2.225 1.00 0.00 H new ATOM 984 N HIS A 67 -2.497 0.311 -3.495 1.00 0.00 N ATOM 985 CA HIS A 67 -3.522 -0.726 -3.465 1.00 0.00 C ATOM 986 C HIS A 67 -2.999 -2.025 -4.073 1.00 0.00 C ATOM 987 O HIS A 67 -2.109 -2.010 -4.923 1.00 0.00 O ATOM 988 CB HIS A 67 -4.769 -0.263 -4.220 1.00 0.00 C ATOM 989 CG HIS A 67 -5.160 1.151 -3.918 1.00 0.00 C ATOM 990 ND1 HIS A 67 -5.848 1.514 -2.779 1.00 0.00 N ATOM 991 CD2 HIS A 67 -4.956 2.294 -4.613 1.00 0.00 C ATOM 992 CE1 HIS A 67 -6.050 2.820 -2.787 1.00 0.00 C ATOM 993 NE2 HIS A 67 -5.518 3.317 -3.889 1.00 0.00 N ATOM 0 H HIS A 67 -2.650 1.036 -4.196 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.785 -0.912 -2.424 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.593 -0.362 -5.291 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.600 -0.923 -3.971 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -6.153 0.874 -2.045 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -4.446 2.385 -5.561 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.563 3.385 -2.023 1.00 0.00 H new ATOM 1002 N ASP A 68 -3.557 -3.146 -3.630 1.00 0.00 N ATOM 1003 CA ASP A 68 -3.148 -4.453 -4.129 1.00 0.00 C ATOM 1004 C ASP A 68 -1.650 -4.665 -3.933 1.00 0.00 C ATOM 1005 O ASP A 68 -0.935 -5.029 -4.868 1.00 0.00 O ATOM 1006 CB ASP A 68 -3.505 -4.592 -5.610 1.00 0.00 C ATOM 1007 CG ASP A 68 -4.960 -4.964 -5.822 1.00 0.00 C ATOM 1008 OD1 ASP A 68 -5.422 -5.936 -5.189 1.00 0.00 O ATOM 1009 OD2 ASP A 68 -5.636 -4.282 -6.620 1.00 0.00 O ATOM 0 H ASP A 68 -4.294 -3.176 -2.926 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.682 -5.215 -3.561 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.295 -3.653 -6.121 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.869 -5.351 -6.065 1.00 0.00 H new ATOM 1014 N LEU A 69 -1.180 -4.434 -2.712 1.00 0.00 N ATOM 1015 CA LEU A 69 0.234 -4.599 -2.393 1.00 0.00 C ATOM 1016 C LEU A 69 0.725 -5.986 -2.794 1.00 0.00 C ATOM 1017 O LEU A 69 -0.048 -6.814 -3.276 1.00 0.00 O ATOM 1018 CB LEU A 69 0.469 -4.375 -0.898 1.00 0.00 C ATOM 1019 CG LEU A 69 0.717 -2.929 -0.466 1.00 0.00 C ATOM 1020 CD1 LEU A 69 0.599 -2.795 1.044 1.00 0.00 C ATOM 1021 CD2 LEU A 69 2.084 -2.458 -0.940 1.00 0.00 C ATOM 0 H LEU A 69 -1.757 -4.132 -1.927 1.00 0.00 H new ATOM 0 HA LEU A 69 0.798 -3.857 -2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.397 -4.752 -0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.325 -4.976 -0.591 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.043 -2.297 -0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.779 -1.759 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.402 -3.091 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.336 -3.439 1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.243 -1.427 -0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.857 -3.094 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.132 -2.515 -2.027 1.00 0.00 H new ATOM 1033 N SER A 70 2.015 -6.233 -2.590 1.00 0.00 N ATOM 1034 CA SER A 70 2.610 -7.520 -2.932 1.00 0.00 C ATOM 1035 C SER A 70 4.063 -7.587 -2.470 1.00 0.00 C ATOM 1036 O SER A 70 4.815 -6.622 -2.606 1.00 0.00 O ATOM 1037 CB SER A 70 2.532 -7.757 -4.441 1.00 0.00 C ATOM 1038 OG SER A 70 1.329 -8.418 -4.792 1.00 0.00 O ATOM 0 H SER A 70 2.668 -5.559 -2.190 1.00 0.00 H new ATOM 0 HA SER A 70 2.047 -8.300 -2.419 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.593 -6.804 -4.966 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.386 -8.353 -4.763 1.00 0.00 H new ATOM 0 HG SER A 70 0.599 -8.092 -4.225 1.00 0.00 H new ATOM 1044 N VAL A 71 4.450 -8.734 -1.921 1.00 0.00 N ATOM 1045 CA VAL A 71 5.812 -8.929 -1.439 1.00 0.00 C ATOM 1046 C VAL A 71 6.831 -8.375 -2.430 1.00 0.00 C ATOM 1047 O VAL A 71 7.882 -7.869 -2.037 1.00 0.00 O ATOM 1048 CB VAL A 71 6.112 -10.419 -1.191 1.00 0.00 C ATOM 1049 CG1 VAL A 71 5.464 -10.886 0.104 1.00 0.00 C ATOM 1050 CG2 VAL A 71 5.639 -11.260 -2.367 1.00 0.00 C ATOM 0 H VAL A 71 3.840 -9.542 -1.799 1.00 0.00 H new ATOM 0 HA VAL A 71 5.894 -8.388 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 71 7.191 -10.544 -1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.687 -11.941 0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.856 -10.303 0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.385 -10.749 0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.859 -12.310 -2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.564 -11.132 -2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.154 -10.941 -3.273 1.00 0.00 H new ATOM 1060 N ALA A 72 6.511 -8.474 -3.716 1.00 0.00 N ATOM 1061 CA ALA A 72 7.396 -7.981 -4.763 1.00 0.00 C ATOM 1062 C ALA A 72 7.474 -6.458 -4.744 1.00 0.00 C ATOM 1063 O ALA A 72 8.531 -5.878 -4.996 1.00 0.00 O ATOM 1064 CB ALA A 72 6.926 -8.470 -6.125 1.00 0.00 C ATOM 0 H ALA A 72 5.645 -8.891 -4.057 1.00 0.00 H new ATOM 0 HA ALA A 72 8.395 -8.372 -4.574 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.596 -8.094 -6.898 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.929 -9.560 -6.141 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.916 -8.107 -6.313 1.00 0.00 H new ATOM 1070 N ASP A 73 6.350 -5.817 -4.444 1.00 0.00 N ATOM 1071 CA ASP A 73 6.292 -4.360 -4.392 1.00 0.00 C ATOM 1072 C ASP A 73 7.252 -3.815 -3.339 1.00 0.00 C ATOM 1073 O ASP A 73 7.892 -2.785 -3.543 1.00 0.00 O ATOM 1074 CB ASP A 73 4.866 -3.897 -4.089 1.00 0.00 C ATOM 1075 CG ASP A 73 4.040 -3.705 -5.346 1.00 0.00 C ATOM 1076 OD1 ASP A 73 4.340 -4.370 -6.359 1.00 0.00 O ATOM 1077 OD2 ASP A 73 3.095 -2.890 -5.317 1.00 0.00 O ATOM 0 H ASP A 73 5.467 -6.282 -4.233 1.00 0.00 H new ATOM 0 HA ASP A 73 6.593 -3.973 -5.366 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.378 -4.629 -3.446 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.902 -2.959 -3.534 1.00 0.00 H new ATOM 1082 N ALA A 74 7.345 -4.514 -2.213 1.00 0.00 N ATOM 1083 CA ALA A 74 8.227 -4.101 -1.128 1.00 0.00 C ATOM 1084 C ALA A 74 9.604 -3.714 -1.658 1.00 0.00 C ATOM 1085 O ALA A 74 10.392 -4.572 -2.052 1.00 0.00 O ATOM 1086 CB ALA A 74 8.350 -5.211 -0.095 1.00 0.00 C ATOM 0 H ALA A 74 6.820 -5.369 -2.028 1.00 0.00 H new ATOM 0 HA ALA A 74 7.790 -3.224 -0.651 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.012 -4.888 0.709 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.366 -5.438 0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.761 -6.103 -0.567 1.00 0.00 H new ATOM 1092 N GLY A 75 9.887 -2.415 -1.664 1.00 0.00 N ATOM 1093 CA GLY A 75 11.169 -1.937 -2.148 1.00 0.00 C ATOM 1094 C GLY A 75 11.569 -0.615 -1.523 1.00 0.00 C ATOM 1095 O GLY A 75 11.606 -0.486 -0.300 1.00 0.00 O ATOM 0 H GLY A 75 9.251 -1.685 -1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.935 -2.683 -1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.126 -1.825 -3.231 1.00 0.00 H new ATOM 1099 N GLU A 76 11.871 0.368 -2.365 1.00 0.00 N ATOM 1100 CA GLU A 76 12.273 1.686 -1.886 1.00 0.00 C ATOM 1101 C GLU A 76 11.580 2.788 -2.683 1.00 0.00 C ATOM 1102 O GLU A 76 11.824 2.952 -3.878 1.00 0.00 O ATOM 1103 CB GLU A 76 13.791 1.847 -1.985 1.00 0.00 C ATOM 1104 CG GLU A 76 14.281 3.236 -1.609 1.00 0.00 C ATOM 1105 CD GLU A 76 15.743 3.249 -1.207 1.00 0.00 C ATOM 1106 OE1 GLU A 76 16.098 2.543 -0.240 1.00 0.00 O ATOM 1107 OE2 GLU A 76 16.531 3.966 -1.858 1.00 0.00 O ATOM 0 H GLU A 76 11.845 0.277 -3.381 1.00 0.00 H new ATOM 0 HA GLU A 76 11.973 1.773 -0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.269 1.114 -1.335 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.106 1.623 -3.004 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.134 3.910 -2.453 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.678 3.620 -0.786 1.00 0.00 H new ATOM 1114 N TYR A 77 10.716 3.541 -2.011 1.00 0.00 N ATOM 1115 CA TYR A 77 9.986 4.626 -2.655 1.00 0.00 C ATOM 1116 C TYR A 77 10.673 5.966 -2.411 1.00 0.00 C ATOM 1117 O TYR A 77 10.787 6.419 -1.272 1.00 0.00 O ATOM 1118 CB TYR A 77 8.546 4.677 -2.140 1.00 0.00 C ATOM 1119 CG TYR A 77 7.741 3.441 -2.471 1.00 0.00 C ATOM 1120 CD1 TYR A 77 7.836 2.295 -1.690 1.00 0.00 C ATOM 1121 CD2 TYR A 77 6.885 3.418 -3.565 1.00 0.00 C ATOM 1122 CE1 TYR A 77 7.103 1.163 -1.990 1.00 0.00 C ATOM 1123 CE2 TYR A 77 6.147 2.291 -3.871 1.00 0.00 C ATOM 1124 CZ TYR A 77 6.259 1.166 -3.081 1.00 0.00 C ATOM 1125 OH TYR A 77 5.526 0.041 -3.383 1.00 0.00 O ATOM 0 H TYR A 77 10.504 3.420 -1.021 1.00 0.00 H new ATOM 0 HA TYR A 77 9.974 4.435 -3.728 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.560 4.812 -1.059 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.048 5.549 -2.564 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.494 2.289 -0.834 1.00 0.00 H new ATOM 0 HD2 TYR A 77 6.795 4.296 -4.187 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.190 0.280 -1.374 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.486 2.291 -4.725 1.00 0.00 H new ATOM 0 HH TYR A 77 4.982 0.210 -4.180 1.00 0.00 H new ATOM 1135 N SER A 78 11.128 6.596 -3.489 1.00 0.00 N ATOM 1136 CA SER A 78 11.807 7.883 -3.393 1.00 0.00 C ATOM 1137 C SER A 78 10.954 8.993 -3.998 1.00 0.00 C ATOM 1138 O SER A 78 10.284 8.794 -5.012 1.00 0.00 O ATOM 1139 CB SER A 78 13.162 7.822 -4.100 1.00 0.00 C ATOM 1140 OG SER A 78 13.776 6.558 -3.920 1.00 0.00 O ATOM 0 H SER A 78 11.039 6.236 -4.439 1.00 0.00 H new ATOM 0 HA SER A 78 11.966 8.105 -2.338 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.029 8.017 -5.164 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.814 8.605 -3.712 1.00 0.00 H new ATOM 0 HG SER A 78 14.640 6.545 -4.383 1.00 0.00 H new ATOM 1146 N CYS A 79 10.984 10.163 -3.368 1.00 0.00 N ATOM 1147 CA CYS A 79 10.213 11.306 -3.843 1.00 0.00 C ATOM 1148 C CYS A 79 11.123 12.499 -4.118 1.00 0.00 C ATOM 1149 O CYS A 79 11.856 12.949 -3.238 1.00 0.00 O ATOM 1150 CB CYS A 79 9.146 11.690 -2.817 1.00 0.00 C ATOM 1151 SG CYS A 79 7.749 12.605 -3.510 1.00 0.00 S ATOM 0 H CYS A 79 11.533 10.344 -2.528 1.00 0.00 H new ATOM 0 HA CYS A 79 9.725 11.021 -4.775 1.00 0.00 H new ATOM 0 HB2 CYS A 79 8.772 10.783 -2.341 1.00 0.00 H new ATOM 0 HB3 CYS A 79 9.609 12.292 -2.036 1.00 0.00 H new ATOM 0 HG CYS A 79 6.778 11.781 -3.773 1.00 0.00 H new ATOM 1157 N MET A 80 11.071 13.005 -5.346 1.00 0.00 N ATOM 1158 CA MET A 80 11.891 14.146 -5.737 1.00 0.00 C ATOM 1159 C MET A 80 11.072 15.432 -5.731 1.00 0.00 C ATOM 1160 O MET A 80 10.014 15.509 -6.357 1.00 0.00 O ATOM 1161 CB MET A 80 12.492 13.917 -7.125 1.00 0.00 C ATOM 1162 CG MET A 80 13.133 12.548 -7.292 1.00 0.00 C ATOM 1163 SD MET A 80 13.988 12.370 -8.869 1.00 0.00 S ATOM 1164 CE MET A 80 14.249 10.598 -8.914 1.00 0.00 C ATOM 0 H MET A 80 10.470 12.643 -6.087 1.00 0.00 H new ATOM 0 HA MET A 80 12.698 14.247 -5.011 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.710 14.037 -7.875 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.240 14.686 -7.319 1.00 0.00 H new ATOM 0 HG2 MET A 80 13.839 12.380 -6.479 1.00 0.00 H new ATOM 0 HG3 MET A 80 12.365 11.779 -7.211 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.291 10.263 -9.950 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.188 10.356 -8.416 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.427 10.096 -8.403 1.00 0.00 H new ATOM 1174 N CYS A 81 11.567 16.440 -5.020 1.00 0.00 N ATOM 1175 CA CYS A 81 10.879 17.723 -4.931 1.00 0.00 C ATOM 1176 C CYS A 81 11.830 18.872 -5.252 1.00 0.00 C ATOM 1177 O CYS A 81 12.582 19.327 -4.392 1.00 0.00 O ATOM 1178 CB CYS A 81 10.285 17.911 -3.535 1.00 0.00 C ATOM 1179 SG CYS A 81 9.530 19.533 -3.266 1.00 0.00 S ATOM 0 H CYS A 81 12.442 16.393 -4.497 1.00 0.00 H new ATOM 0 HA CYS A 81 10.072 17.727 -5.664 1.00 0.00 H new ATOM 0 HB2 CYS A 81 9.534 17.140 -3.365 1.00 0.00 H new ATOM 0 HB3 CYS A 81 11.070 17.760 -2.794 1.00 0.00 H new ATOM 0 HG CYS A 81 10.390 20.322 -2.693 1.00 0.00 H new ATOM 1185 N GLY A 82 11.791 19.336 -6.498 1.00 0.00 N ATOM 1186 CA GLY A 82 12.655 20.426 -6.910 1.00 0.00 C ATOM 1187 C GLY A 82 14.110 20.011 -7.000 1.00 0.00 C ATOM 1188 O GLY A 82 14.599 19.673 -8.077 1.00 0.00 O ATOM 0 H GLY A 82 11.177 18.976 -7.228 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.326 20.799 -7.880 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.558 21.249 -6.202 1.00 0.00 H new ATOM 1192 N GLN A 83 14.803 20.039 -5.866 1.00 0.00 N ATOM 1193 CA GLN A 83 16.211 19.665 -5.823 1.00 0.00 C ATOM 1194 C GLN A 83 16.452 18.571 -4.788 1.00 0.00 C ATOM 1195 O GLN A 83 17.241 17.654 -5.014 1.00 0.00 O ATOM 1196 CB GLN A 83 17.075 20.886 -5.502 1.00 0.00 C ATOM 1197 CG GLN A 83 18.560 20.660 -5.738 1.00 0.00 C ATOM 1198 CD GLN A 83 19.342 21.955 -5.819 1.00 0.00 C ATOM 1199 OE1 GLN A 83 19.088 22.895 -5.065 1.00 0.00 O ATOM 1200 NE2 GLN A 83 20.301 22.012 -6.736 1.00 0.00 N ATOM 0 H GLN A 83 14.412 20.317 -4.966 1.00 0.00 H new ATOM 0 HA GLN A 83 16.489 19.280 -6.804 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.743 21.726 -6.112 1.00 0.00 H new ATOM 0 HB3 GLN A 83 16.920 21.167 -4.460 1.00 0.00 H new ATOM 0 HG2 GLN A 83 18.963 20.047 -4.932 1.00 0.00 H new ATOM 0 HG3 GLN A 83 18.696 20.100 -6.663 1.00 0.00 H new ATOM 0 HE21 GLN A 83 20.477 21.209 -7.340 1.00 0.00 H new ATOM 0 HE22 GLN A 83 20.861 22.859 -6.836 1.00 0.00 H new ATOM 1209 N GLU A 84 15.768 18.676 -3.653 1.00 0.00 N ATOM 1210 CA GLU A 84 15.910 17.695 -2.584 1.00 0.00 C ATOM 1211 C GLU A 84 15.284 16.361 -2.982 1.00 0.00 C ATOM 1212 O GLU A 84 14.592 16.266 -3.996 1.00 0.00 O ATOM 1213 CB GLU A 84 15.260 18.211 -1.298 1.00 0.00 C ATOM 1214 CG GLU A 84 16.139 19.171 -0.515 1.00 0.00 C ATOM 1215 CD GLU A 84 16.641 20.325 -1.361 1.00 0.00 C ATOM 1216 OE1 GLU A 84 17.683 20.160 -2.030 1.00 0.00 O ATOM 1217 OE2 GLU A 84 15.993 21.393 -1.354 1.00 0.00 O ATOM 0 H GLU A 84 15.111 19.429 -3.450 1.00 0.00 H new ATOM 0 HA GLU A 84 16.974 17.540 -2.408 1.00 0.00 H new ATOM 0 HB2 GLU A 84 14.324 18.711 -1.549 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.008 17.362 -0.663 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.577 19.564 0.332 1.00 0.00 H new ATOM 0 HG3 GLU A 84 16.991 18.627 -0.107 1.00 0.00 H new ATOM 1224 N ARG A 85 15.534 15.333 -2.177 1.00 0.00 N ATOM 1225 CA ARG A 85 14.998 14.004 -2.446 1.00 0.00 C ATOM 1226 C ARG A 85 15.003 13.150 -1.182 1.00 0.00 C ATOM 1227 O ARG A 85 15.889 13.277 -0.337 1.00 0.00 O ATOM 1228 CB ARG A 85 15.811 13.315 -3.544 1.00 0.00 C ATOM 1229 CG ARG A 85 15.511 11.832 -3.684 1.00 0.00 C ATOM 1230 CD ARG A 85 16.610 11.111 -4.448 1.00 0.00 C ATOM 1231 NE ARG A 85 17.809 10.923 -3.636 1.00 0.00 N ATOM 1232 CZ ARG A 85 17.934 9.970 -2.719 1.00 0.00 C ATOM 1233 NH1 ARG A 85 16.938 9.123 -2.499 1.00 0.00 N ATOM 1234 NH2 ARG A 85 19.057 9.863 -2.020 1.00 0.00 N ATOM 0 H ARG A 85 16.104 15.395 -1.334 1.00 0.00 H new ATOM 0 HA ARG A 85 13.968 14.117 -2.783 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.612 13.809 -4.495 1.00 0.00 H new ATOM 0 HB3 ARG A 85 16.873 13.444 -3.333 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.402 11.387 -2.695 1.00 0.00 H new ATOM 0 HG3 ARG A 85 14.560 11.699 -4.200 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.243 10.141 -4.782 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.863 11.681 -5.342 1.00 0.00 H new ATOM 0 HE ARG A 85 18.594 11.558 -3.781 1.00 0.00 H new ATOM 0 HH11 ARG A 85 16.073 9.202 -3.034 1.00 0.00 H new ATOM 0 HH12 ARG A 85 17.036 8.392 -1.794 1.00 0.00 H new ATOM 0 HH21 ARG A 85 19.825 10.513 -2.187 1.00 0.00 H new ATOM 0 HH22 ARG A 85 19.152 9.131 -1.316 1.00 0.00 H new ATOM 1248 N THR A 86 14.007 12.278 -1.059 1.00 0.00 N ATOM 1249 CA THR A 86 13.895 11.404 0.102 1.00 0.00 C ATOM 1250 C THR A 86 13.573 9.974 -0.316 1.00 0.00 C ATOM 1251 O THR A 86 13.122 9.731 -1.435 1.00 0.00 O ATOM 1252 CB THR A 86 12.809 11.900 1.076 1.00 0.00 C ATOM 1253 OG1 THR A 86 12.889 11.175 2.308 1.00 0.00 O ATOM 1254 CG2 THR A 86 11.423 11.732 0.472 1.00 0.00 C ATOM 0 H THR A 86 13.266 12.158 -1.750 1.00 0.00 H new ATOM 0 HA THR A 86 14.861 11.423 0.607 1.00 0.00 H new ATOM 0 HB THR A 86 12.979 12.960 1.266 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.363 11.714 2.975 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.673 12.089 1.178 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.356 12.308 -0.451 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.246 10.678 0.256 1.00 0.00 H new ATOM 1262 N SER A 87 13.806 9.031 0.591 1.00 0.00 N ATOM 1263 CA SER A 87 13.543 7.623 0.315 1.00 0.00 C ATOM 1264 C SER A 87 12.859 6.955 1.504 1.00 0.00 C ATOM 1265 O SER A 87 13.082 7.332 2.655 1.00 0.00 O ATOM 1266 CB SER A 87 14.847 6.894 -0.013 1.00 0.00 C ATOM 1267 OG SER A 87 15.800 7.062 1.022 1.00 0.00 O ATOM 0 H SER A 87 14.176 9.216 1.523 1.00 0.00 H new ATOM 0 HA SER A 87 12.876 7.565 -0.545 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.647 5.832 -0.158 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.253 7.273 -0.951 1.00 0.00 H new ATOM 0 HG SER A 87 16.624 6.585 0.789 1.00 0.00 H new ATOM 1273 N ALA A 88 12.025 5.961 1.217 1.00 0.00 N ATOM 1274 CA ALA A 88 11.309 5.239 2.262 1.00 0.00 C ATOM 1275 C ALA A 88 11.198 3.756 1.925 1.00 0.00 C ATOM 1276 O ALA A 88 10.738 3.385 0.845 1.00 0.00 O ATOM 1277 CB ALA A 88 9.927 5.840 2.467 1.00 0.00 C ATOM 0 H ALA A 88 11.828 5.637 0.270 1.00 0.00 H new ATOM 0 HA ALA A 88 11.875 5.334 3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.404 5.291 3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.025 6.885 2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.361 5.775 1.538 1.00 0.00 H new ATOM 1283 N THR A 89 11.624 2.909 2.858 1.00 0.00 N ATOM 1284 CA THR A 89 11.574 1.466 2.659 1.00 0.00 C ATOM 1285 C THR A 89 10.255 0.887 3.160 1.00 0.00 C ATOM 1286 O THR A 89 10.030 0.781 4.366 1.00 0.00 O ATOM 1287 CB THR A 89 12.738 0.759 3.380 1.00 0.00 C ATOM 1288 OG1 THR A 89 13.988 1.291 2.929 1.00 0.00 O ATOM 1289 CG2 THR A 89 12.699 -0.741 3.129 1.00 0.00 C ATOM 0 H THR A 89 12.007 3.198 3.758 1.00 0.00 H new ATOM 0 HA THR A 89 11.660 1.292 1.586 1.00 0.00 H new ATOM 0 HB THR A 89 12.634 0.935 4.451 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.723 0.838 3.393 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.530 -1.218 3.648 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.758 -1.148 3.500 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.781 -0.933 2.059 1.00 0.00 H new ATOM 1297 N LEU A 90 9.387 0.514 2.227 1.00 0.00 N ATOM 1298 CA LEU A 90 8.089 -0.056 2.573 1.00 0.00 C ATOM 1299 C LEU A 90 8.238 -1.492 3.063 1.00 0.00 C ATOM 1300 O LEU A 90 9.127 -2.222 2.622 1.00 0.00 O ATOM 1301 CB LEU A 90 7.151 -0.011 1.365 1.00 0.00 C ATOM 1302 CG LEU A 90 5.920 -0.915 1.437 1.00 0.00 C ATOM 1303 CD1 LEU A 90 4.821 -0.256 2.257 1.00 0.00 C ATOM 1304 CD2 LEU A 90 5.420 -1.247 0.039 1.00 0.00 C ATOM 0 H LEU A 90 9.558 0.596 1.225 1.00 0.00 H new ATOM 0 HA LEU A 90 7.661 0.540 3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.815 1.017 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.722 -0.279 0.476 1.00 0.00 H new ATOM 0 HG LEU A 90 6.204 -1.845 1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.953 -0.914 2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.183 -0.071 3.268 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.539 0.689 1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.544 -1.891 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.153 -0.326 -0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.205 -1.762 -0.515 1.00 0.00 H new ATOM 1316 N THR A 91 7.360 -1.895 3.976 1.00 0.00 N ATOM 1317 CA THR A 91 7.393 -3.245 4.525 1.00 0.00 C ATOM 1318 C THR A 91 6.188 -4.056 4.062 1.00 0.00 C ATOM 1319 O THR A 91 5.046 -3.612 4.181 1.00 0.00 O ATOM 1320 CB THR A 91 7.422 -3.224 6.065 1.00 0.00 C ATOM 1321 OG1 THR A 91 8.439 -2.326 6.524 1.00 0.00 O ATOM 1322 CG2 THR A 91 7.682 -4.617 6.620 1.00 0.00 C ATOM 0 H THR A 91 6.617 -1.305 4.351 1.00 0.00 H new ATOM 0 HA THR A 91 8.306 -3.714 4.158 1.00 0.00 H new ATOM 0 HB THR A 91 6.449 -2.883 6.420 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.450 -2.317 7.504 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.698 -4.578 7.709 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.891 -5.292 6.293 1.00 0.00 H new ATOM 0 HG23 THR A 91 8.643 -4.980 6.256 1.00 0.00 H new ATOM 1330 N VAL A 92 6.450 -5.248 3.535 1.00 0.00 N ATOM 1331 CA VAL A 92 5.386 -6.122 3.056 1.00 0.00 C ATOM 1332 C VAL A 92 5.494 -7.510 3.678 1.00 0.00 C ATOM 1333 O VAL A 92 6.498 -8.201 3.508 1.00 0.00 O ATOM 1334 CB VAL A 92 5.418 -6.255 1.522 1.00 0.00 C ATOM 1335 CG1 VAL A 92 4.266 -7.123 1.037 1.00 0.00 C ATOM 1336 CG2 VAL A 92 5.374 -4.883 0.867 1.00 0.00 C ATOM 0 H VAL A 92 7.390 -5.630 3.429 1.00 0.00 H new ATOM 0 HA VAL A 92 4.442 -5.666 3.354 1.00 0.00 H new ATOM 0 HB VAL A 92 6.352 -6.739 1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.305 -7.206 -0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.347 -8.116 1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.320 -6.670 1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.397 -4.996 -0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.458 -4.370 1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.235 -4.298 1.189 1.00 0.00 H new ATOM 1346 N ARG A 93 4.452 -7.912 4.399 1.00 0.00 N ATOM 1347 CA ARG A 93 4.430 -9.217 5.047 1.00 0.00 C ATOM 1348 C ARG A 93 3.683 -10.236 4.191 1.00 0.00 C ATOM 1349 O ARG A 93 2.534 -10.017 3.808 1.00 0.00 O ATOM 1350 CB ARG A 93 3.774 -9.115 6.425 1.00 0.00 C ATOM 1351 CG ARG A 93 4.739 -8.717 7.530 1.00 0.00 C ATOM 1352 CD ARG A 93 4.278 -9.234 8.885 1.00 0.00 C ATOM 1353 NE ARG A 93 4.631 -10.637 9.084 1.00 0.00 N ATOM 1354 CZ ARG A 93 5.882 -11.073 9.186 1.00 0.00 C ATOM 1355 NH1 ARG A 93 6.893 -10.219 9.108 1.00 0.00 N ATOM 1356 NH2 ARG A 93 6.123 -12.365 9.366 1.00 0.00 N ATOM 0 H ARG A 93 3.612 -7.352 4.549 1.00 0.00 H new ATOM 0 HA ARG A 93 5.460 -9.553 5.166 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.965 -8.386 6.380 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.324 -10.075 6.676 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.731 -9.110 7.307 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.827 -7.631 7.564 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.727 -8.632 9.675 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.198 -9.116 8.970 1.00 0.00 H new ATOM 0 HE ARG A 93 3.876 -11.320 9.148 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.711 -9.225 8.969 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.852 -10.556 9.187 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.348 -13.025 9.426 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.084 -12.699 9.444 1.00 0.00 H new ATOM 1370 N ALA A 94 4.344 -11.350 3.895 1.00 0.00 N ATOM 1371 CA ALA A 94 3.743 -12.403 3.086 1.00 0.00 C ATOM 1372 C ALA A 94 2.557 -13.038 3.805 1.00 0.00 C ATOM 1373 O ALA A 94 2.548 -13.148 5.032 1.00 0.00 O ATOM 1374 CB ALA A 94 4.781 -13.461 2.740 1.00 0.00 C ATOM 0 H ALA A 94 5.296 -11.547 4.203 1.00 0.00 H new ATOM 0 HA ALA A 94 3.377 -11.954 2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.318 -14.241 2.136 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.595 -13.002 2.179 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.174 -13.898 3.658 1.00 0.00 H new ATOM 1380 N LEU A 95 1.558 -13.455 3.035 1.00 0.00 N ATOM 1381 CA LEU A 95 0.366 -14.079 3.599 1.00 0.00 C ATOM 1382 C LEU A 95 0.742 -15.204 4.558 1.00 0.00 C ATOM 1383 O LEU A 95 1.805 -15.815 4.450 1.00 0.00 O ATOM 1384 CB LEU A 95 -0.525 -14.624 2.481 1.00 0.00 C ATOM 1385 CG LEU A 95 -1.237 -13.579 1.621 1.00 0.00 C ATOM 1386 CD1 LEU A 95 -2.509 -14.157 1.022 1.00 0.00 C ATOM 1387 CD2 LEU A 95 -1.548 -12.335 2.441 1.00 0.00 C ATOM 0 H LEU A 95 1.550 -13.372 2.018 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.183 -13.320 4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.086 -15.248 1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.279 -15.273 2.928 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.573 -13.295 0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.002 -13.399 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.260 -15.017 0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.178 -14.471 1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.055 -11.602 1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.193 -12.603 3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.620 -11.908 2.820 1.00 0.00 H new