USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 632 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 52 SER OG : rot 180:sc= -0.504 USER MOD Set 1.2: A 54 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 26 SER OG : rot -104:sc= 0.252 USER MOD Set 2.2: A 49 SER OG : rot 180:sc= 0.23 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -150:sc= -6.55! (180deg=-10.1!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -5.67! C(o=-5.7!,f=-6.5!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.68) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0212 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= -3.48 K(o=-3.5,f=-10!) USER MOD Single : A 87 GLN : amide:sc= -3.13! C(o=-3.1!,f=-3.2!) USER MOD Single : A 91 SER OG : rot 115:sc= 1.14 USER MOD Single : A 95 THR OG1 : rot -18:sc= -0.338 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N GLY A 9 -5.182 15.470 4.557 1.00 0.00 N ATOM 81 CA GLY A 9 -4.578 14.304 3.938 1.00 0.00 C ATOM 82 C GLY A 9 -3.064 14.374 3.924 1.00 0.00 C ATOM 83 O GLY A 9 -2.386 13.359 4.087 1.00 0.00 O ATOM 0 HA2 GLY A 9 -4.892 13.408 4.474 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.944 14.209 2.916 1.00 0.00 H new ATOM 87 N LEU A 10 -2.531 15.575 3.727 1.00 0.00 N ATOM 88 CA LEU A 10 -1.086 15.774 3.690 1.00 0.00 C ATOM 89 C LEU A 10 -0.520 15.913 5.099 1.00 0.00 C ATOM 90 O LEU A 10 0.576 16.441 5.289 1.00 0.00 O ATOM 91 CB LEU A 10 -0.743 17.016 2.865 1.00 0.00 C ATOM 92 CG LEU A 10 -1.565 18.270 3.168 1.00 0.00 C ATOM 93 CD1 LEU A 10 -2.857 18.269 2.365 1.00 0.00 C ATOM 94 CD2 LEU A 10 -1.860 18.368 4.657 1.00 0.00 C ATOM 0 H LEU A 10 -3.077 16.425 3.590 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.635 14.899 3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.310 17.250 3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.865 16.772 1.810 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.981 19.143 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.428 19.169 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.624 18.248 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.446 17.389 2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.445 19.266 4.854 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.423 17.491 4.975 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.923 18.417 5.211 1.00 0.00 H new ATOM 106 N ARG A 11 -1.273 15.435 6.084 1.00 0.00 N ATOM 107 CA ARG A 11 -0.845 15.505 7.476 1.00 0.00 C ATOM 108 C ARG A 11 -0.056 14.259 7.866 1.00 0.00 C ATOM 109 O ARG A 11 -0.037 13.271 7.133 1.00 0.00 O ATOM 110 CB ARG A 11 -2.057 15.663 8.397 1.00 0.00 C ATOM 111 CG ARG A 11 -2.672 17.053 8.361 1.00 0.00 C ATOM 112 CD ARG A 11 -1.842 18.049 9.155 1.00 0.00 C ATOM 113 NE ARG A 11 -2.662 19.120 9.717 1.00 0.00 N ATOM 114 CZ ARG A 11 -2.173 20.290 10.111 1.00 0.00 C ATOM 115 NH1 ARG A 11 -0.875 20.540 10.004 1.00 0.00 N ATOM 116 NH2 ARG A 11 -2.983 21.214 10.612 1.00 0.00 N ATOM 0 H ARG A 11 -2.183 14.995 5.944 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.197 16.374 7.587 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.815 14.932 8.115 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.758 15.434 9.420 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.755 17.389 7.327 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.683 17.015 8.766 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.324 17.528 9.960 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.077 18.479 8.509 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.665 18.960 9.812 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.250 19.833 9.618 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.502 21.440 10.307 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.982 21.026 10.695 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.607 22.112 10.914 1.00 0.00 H new ATOM 130 N GLU A 12 0.594 14.314 9.024 1.00 0.00 N ATOM 131 CA GLU A 12 1.386 13.190 9.510 1.00 0.00 C ATOM 132 C GLU A 12 0.485 12.069 10.018 1.00 0.00 C ATOM 133 O GLU A 12 -0.236 12.235 11.004 1.00 0.00 O ATOM 134 CB GLU A 12 2.330 13.646 10.624 1.00 0.00 C ATOM 135 CG GLU A 12 3.444 12.656 10.922 1.00 0.00 C ATOM 136 CD GLU A 12 4.364 13.130 12.030 1.00 0.00 C ATOM 137 OE1 GLU A 12 3.943 13.097 13.205 1.00 0.00 O ATOM 138 OE2 GLU A 12 5.505 13.534 11.722 1.00 0.00 O ATOM 0 H GLU A 12 0.588 15.125 9.643 1.00 0.00 H new ATOM 0 HA GLU A 12 1.977 12.808 8.677 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.771 14.603 10.346 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.752 13.814 11.533 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.008 11.697 11.202 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.028 12.488 10.017 1.00 0.00 H new ATOM 145 N LEU A 13 0.529 10.928 9.339 1.00 0.00 N ATOM 146 CA LEU A 13 -0.283 9.779 9.721 1.00 0.00 C ATOM 147 C LEU A 13 0.596 8.587 10.086 1.00 0.00 C ATOM 148 O LEU A 13 1.765 8.526 9.704 1.00 0.00 O ATOM 149 CB LEU A 13 -1.231 9.398 8.582 1.00 0.00 C ATOM 150 CG LEU A 13 -2.485 10.260 8.436 1.00 0.00 C ATOM 151 CD1 LEU A 13 -2.945 10.292 6.987 1.00 0.00 C ATOM 152 CD2 LEU A 13 -3.596 9.741 9.338 1.00 0.00 C ATOM 0 H LEU A 13 1.119 10.774 8.521 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.870 10.056 10.597 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.676 9.438 7.645 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.541 8.363 8.725 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.241 11.278 8.741 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.839 10.910 6.903 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.155 10.710 6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.172 9.279 6.655 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.481 10.366 9.221 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.838 8.714 9.063 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.265 9.770 10.376 1.00 0.00 H new ATOM 164 N CYS A 14 0.026 7.642 10.825 1.00 0.00 N ATOM 165 CA CYS A 14 0.758 6.450 11.240 1.00 0.00 C ATOM 166 C CYS A 14 -0.124 5.210 11.144 1.00 0.00 C ATOM 167 O CYS A 14 -1.351 5.303 11.196 1.00 0.00 O ATOM 168 CB CYS A 14 1.273 6.616 12.671 1.00 0.00 C ATOM 169 SG CYS A 14 0.016 7.163 13.849 1.00 0.00 S ATOM 0 H CYS A 14 -0.940 7.678 11.149 1.00 0.00 H new ATOM 0 HA CYS A 14 1.607 6.322 10.569 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.684 5.665 13.010 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.092 7.335 12.670 1.00 0.00 H new ATOM 0 HG CYS A 14 0.547 7.272 15.031 1.00 0.00 H new ATOM 175 N ILE A 15 0.509 4.050 11.003 1.00 0.00 N ATOM 176 CA ILE A 15 -0.218 2.791 10.900 1.00 0.00 C ATOM 177 C ILE A 15 0.219 1.812 11.984 1.00 0.00 C ATOM 178 O ILE A 15 1.335 1.293 11.951 1.00 0.00 O ATOM 179 CB ILE A 15 -0.016 2.136 9.521 1.00 0.00 C ATOM 180 CG1 ILE A 15 -0.515 3.065 8.412 1.00 0.00 C ATOM 181 CG2 ILE A 15 -0.735 0.796 9.460 1.00 0.00 C ATOM 182 CD1 ILE A 15 -0.490 2.434 7.038 1.00 0.00 C ATOM 0 H ILE A 15 1.524 3.956 10.958 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.274 3.026 11.031 1.00 0.00 H new ATOM 0 HB ILE A 15 1.050 1.962 9.371 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.534 3.376 8.641 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.099 3.966 8.400 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.583 0.346 8.479 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.337 0.134 10.229 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.801 0.947 9.628 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.857 3.150 6.302 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.531 2.148 6.788 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.127 1.549 7.032 1.00 0.00 H new ATOM 194 N GLN A 16 -0.667 1.564 12.943 1.00 0.00 N ATOM 195 CA GLN A 16 -0.372 0.647 14.037 1.00 0.00 C ATOM 196 C GLN A 16 -0.562 -0.802 13.599 1.00 0.00 C ATOM 197 O GLN A 16 -1.672 -1.222 13.270 1.00 0.00 O ATOM 198 CB GLN A 16 -1.267 0.950 15.240 1.00 0.00 C ATOM 199 CG GLN A 16 -0.644 1.917 16.233 1.00 0.00 C ATOM 200 CD GLN A 16 -1.680 2.721 16.993 1.00 0.00 C ATOM 201 OE1 GLN A 16 -2.539 2.162 17.675 1.00 0.00 O ATOM 202 NE2 GLN A 16 -1.604 4.042 16.879 1.00 0.00 N ATOM 0 H GLN A 16 -1.595 1.985 12.984 1.00 0.00 H new ATOM 0 HA GLN A 16 0.670 0.787 14.324 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.211 1.364 14.885 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.501 0.017 15.752 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.031 1.360 16.941 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.021 2.598 15.702 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.875 4.463 16.303 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.274 4.635 17.368 1.00 0.00 H new ATOM 211 N LYS A 17 0.528 -1.562 13.596 1.00 0.00 N ATOM 212 CA LYS A 17 0.482 -2.964 13.199 1.00 0.00 C ATOM 213 C LYS A 17 1.211 -3.840 14.213 1.00 0.00 C ATOM 214 O LYS A 17 1.768 -3.342 15.191 1.00 0.00 O ATOM 215 CB LYS A 17 1.106 -3.144 11.813 1.00 0.00 C ATOM 216 CG LYS A 17 2.616 -3.297 11.841 1.00 0.00 C ATOM 217 CD LYS A 17 3.246 -2.851 10.532 1.00 0.00 C ATOM 218 CE LYS A 17 3.315 -1.335 10.435 1.00 0.00 C ATOM 219 NZ LYS A 17 2.029 -0.750 9.964 1.00 0.00 N ATOM 0 H LYS A 17 1.454 -1.230 13.864 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.563 -3.271 13.163 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.669 -4.023 11.338 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.848 -2.285 11.193 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.027 -2.710 12.662 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.874 -4.338 12.034 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.250 -3.268 10.449 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.668 -3.244 9.696 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.567 -0.920 11.411 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.115 -1.051 9.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.218 0.128 9.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.547 -1.429 9.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.423 -0.540 10.782 1.00 0.00 H new ATOM 233 N ALA A 18 1.203 -5.147 13.972 1.00 0.00 N ATOM 234 CA ALA A 18 1.866 -6.092 14.863 1.00 0.00 C ATOM 235 C ALA A 18 3.343 -5.749 15.026 1.00 0.00 C ATOM 236 O ALA A 18 3.918 -4.989 14.246 1.00 0.00 O ATOM 237 CB ALA A 18 1.707 -7.512 14.339 1.00 0.00 C ATOM 0 H ALA A 18 0.745 -5.576 13.168 1.00 0.00 H new ATOM 0 HA ALA A 18 1.393 -6.023 15.843 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.207 -8.207 15.014 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.648 -7.762 14.280 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.153 -7.586 13.347 1.00 0.00 H new ATOM 243 N PRO A 19 3.973 -6.320 16.063 1.00 0.00 N ATOM 244 CA PRO A 19 5.391 -6.088 16.353 1.00 0.00 C ATOM 245 C PRO A 19 6.307 -6.731 15.317 1.00 0.00 C ATOM 246 O PRO A 19 7.530 -6.652 15.421 1.00 0.00 O ATOM 247 CB PRO A 19 5.586 -6.747 17.721 1.00 0.00 C ATOM 248 CG PRO A 19 4.522 -7.787 17.795 1.00 0.00 C ATOM 249 CD PRO A 19 3.349 -7.235 17.033 1.00 0.00 C ATOM 0 HA PRO A 19 5.642 -5.027 16.336 1.00 0.00 H new ATOM 0 HB2 PRO A 19 6.578 -7.189 17.810 1.00 0.00 H new ATOM 0 HB3 PRO A 19 5.487 -6.021 18.528 1.00 0.00 H new ATOM 0 HG2 PRO A 19 4.863 -8.726 17.359 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.252 -7.996 18.830 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.785 -8.024 16.536 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.654 -6.712 17.689 1.00 0.00 H new ATOM 257 N GLY A 20 5.706 -7.368 14.316 1.00 0.00 N ATOM 258 CA GLY A 20 6.483 -8.015 13.275 1.00 0.00 C ATOM 259 C GLY A 20 5.661 -8.309 12.036 1.00 0.00 C ATOM 260 O GLY A 20 5.971 -9.232 11.283 1.00 0.00 O ATOM 0 H GLY A 20 4.695 -7.447 14.208 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.325 -7.378 13.006 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.898 -8.946 13.661 1.00 0.00 H new ATOM 264 N GLU A 21 4.609 -7.524 11.825 1.00 0.00 N ATOM 265 CA GLU A 21 3.739 -7.708 10.670 1.00 0.00 C ATOM 266 C GLU A 21 4.166 -6.804 9.517 1.00 0.00 C ATOM 267 O GLU A 21 4.575 -5.662 9.729 1.00 0.00 O ATOM 268 CB GLU A 21 2.285 -7.419 11.047 1.00 0.00 C ATOM 269 CG GLU A 21 1.299 -7.681 9.920 1.00 0.00 C ATOM 270 CD GLU A 21 1.430 -9.078 9.344 1.00 0.00 C ATOM 271 OE1 GLU A 21 1.485 -10.043 10.134 1.00 0.00 O ATOM 272 OE2 GLU A 21 1.478 -9.204 8.102 1.00 0.00 O ATOM 0 H GLU A 21 4.339 -6.755 12.439 1.00 0.00 H new ATOM 0 HA GLU A 21 3.823 -8.745 10.346 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.013 -8.032 11.906 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.199 -6.378 11.358 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.284 -7.538 10.290 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.456 -6.949 9.128 1.00 0.00 H new ATOM 279 N ARG A 22 4.069 -7.323 8.298 1.00 0.00 N ATOM 280 CA ARG A 22 4.447 -6.564 7.112 1.00 0.00 C ATOM 281 C ARG A 22 3.281 -5.713 6.617 1.00 0.00 C ATOM 282 O ARG A 22 2.196 -6.228 6.340 1.00 0.00 O ATOM 283 CB ARG A 22 4.910 -7.509 6.002 1.00 0.00 C ATOM 284 CG ARG A 22 6.184 -8.267 6.339 1.00 0.00 C ATOM 285 CD ARG A 22 5.880 -9.589 7.026 1.00 0.00 C ATOM 286 NE ARG A 22 7.097 -10.296 7.415 1.00 0.00 N ATOM 287 CZ ARG A 22 7.099 -11.490 7.997 1.00 0.00 C ATOM 288 NH1 ARG A 22 5.954 -12.108 8.255 1.00 0.00 N ATOM 289 NH2 ARG A 22 8.248 -12.069 8.322 1.00 0.00 N ATOM 0 H ARG A 22 3.732 -8.266 8.105 1.00 0.00 H new ATOM 0 HA ARG A 22 5.269 -5.901 7.382 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.116 -8.225 5.792 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.070 -6.934 5.090 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.751 -8.452 5.427 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.812 -7.655 6.986 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.269 -9.406 7.910 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.293 -10.219 6.357 1.00 0.00 H new ATOM 0 HE ARG A 22 7.995 -9.849 7.230 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.069 -11.666 8.006 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.959 -13.025 8.702 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.131 -11.597 8.125 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.249 -12.986 8.769 1.00 0.00 H new ATOM 303 N LEU A 23 3.511 -4.410 6.508 1.00 0.00 N ATOM 304 CA LEU A 23 2.480 -3.486 6.046 1.00 0.00 C ATOM 305 C LEU A 23 1.583 -4.148 5.005 1.00 0.00 C ATOM 306 O LEU A 23 0.359 -4.053 5.075 1.00 0.00 O ATOM 307 CB LEU A 23 3.121 -2.228 5.459 1.00 0.00 C ATOM 308 CG LEU A 23 2.337 -0.928 5.641 1.00 0.00 C ATOM 309 CD1 LEU A 23 0.884 -1.119 5.234 1.00 0.00 C ATOM 310 CD2 LEU A 23 2.429 -0.447 7.082 1.00 0.00 C ATOM 0 H LEU A 23 4.402 -3.968 6.733 1.00 0.00 H new ATOM 0 HA LEU A 23 1.866 -3.207 6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.105 -2.102 5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.278 -2.388 4.392 1.00 0.00 H new ATOM 0 HG LEU A 23 2.777 -0.168 4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.342 -0.183 5.370 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.836 -1.417 4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.432 -1.894 5.853 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.865 0.479 7.193 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.015 -1.206 7.746 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.473 -0.270 7.340 1.00 0.00 H new ATOM 322 N GLY A 24 2.203 -4.821 4.039 1.00 0.00 N ATOM 323 CA GLY A 24 1.445 -5.490 2.998 1.00 0.00 C ATOM 324 C GLY A 24 0.889 -4.523 1.972 1.00 0.00 C ATOM 325 O GLY A 24 -0.252 -4.662 1.532 1.00 0.00 O ATOM 0 H GLY A 24 3.216 -4.914 3.959 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.085 -6.217 2.498 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.624 -6.046 3.451 1.00 0.00 H new ATOM 329 N ILE A 25 1.697 -3.539 1.591 1.00 0.00 N ATOM 330 CA ILE A 25 1.279 -2.545 0.611 1.00 0.00 C ATOM 331 C ILE A 25 2.212 -2.536 -0.596 1.00 0.00 C ATOM 332 O ILE A 25 3.326 -3.056 -0.536 1.00 0.00 O ATOM 333 CB ILE A 25 1.238 -1.132 1.224 1.00 0.00 C ATOM 334 CG1 ILE A 25 2.396 -0.945 2.205 1.00 0.00 C ATOM 335 CG2 ILE A 25 -0.095 -0.895 1.918 1.00 0.00 C ATOM 336 CD1 ILE A 25 2.838 0.495 2.350 1.00 0.00 C ATOM 0 H ILE A 25 2.644 -3.409 1.946 1.00 0.00 H new ATOM 0 HA ILE A 25 0.275 -2.822 0.289 1.00 0.00 H new ATOM 0 HB ILE A 25 1.344 -0.400 0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.099 -1.326 3.182 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.243 -1.545 1.873 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.109 0.107 2.346 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.904 -0.992 1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.228 -1.630 2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.662 0.553 3.061 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.166 0.874 1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.004 1.097 2.712 1.00 0.00 H new ATOM 348 N SER A 26 1.749 -1.940 -1.690 1.00 0.00 N ATOM 349 CA SER A 26 2.541 -1.865 -2.912 1.00 0.00 C ATOM 350 C SER A 26 2.787 -0.413 -3.311 1.00 0.00 C ATOM 351 O SER A 26 2.059 0.488 -2.895 1.00 0.00 O ATOM 352 CB SER A 26 1.834 -2.605 -4.049 1.00 0.00 C ATOM 353 OG SER A 26 2.771 -3.164 -4.954 1.00 0.00 O ATOM 0 H SER A 26 0.830 -1.502 -1.755 1.00 0.00 H new ATOM 0 HA SER A 26 3.504 -2.340 -2.722 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.205 -3.395 -3.638 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.176 -1.918 -4.580 1.00 0.00 H new ATOM 0 HG SER A 26 2.801 -2.622 -5.770 1.00 0.00 H new ATOM 359 N ILE A 27 3.818 -0.196 -4.121 1.00 0.00 N ATOM 360 CA ILE A 27 4.161 1.146 -4.577 1.00 0.00 C ATOM 361 C ILE A 27 4.846 1.105 -5.939 1.00 0.00 C ATOM 362 O ILE A 27 5.593 0.174 -6.242 1.00 0.00 O ATOM 363 CB ILE A 27 5.082 1.864 -3.573 1.00 0.00 C ATOM 364 CG1 ILE A 27 6.505 1.311 -3.667 1.00 0.00 C ATOM 365 CG2 ILE A 27 4.542 1.714 -2.159 1.00 0.00 C ATOM 366 CD1 ILE A 27 7.515 2.101 -2.864 1.00 0.00 C ATOM 0 H ILE A 27 4.430 -0.931 -4.475 1.00 0.00 H new ATOM 0 HA ILE A 27 3.226 1.700 -4.659 1.00 0.00 H new ATOM 0 HB ILE A 27 5.108 2.925 -3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.508 0.277 -3.322 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.813 1.299 -4.712 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.204 2.227 -1.461 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.545 2.151 -2.102 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.490 0.657 -1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.502 1.652 -2.978 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.541 3.130 -3.223 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.231 2.091 -1.812 1.00 0.00 H new ATOM 378 N ARG A 28 4.588 2.121 -6.756 1.00 0.00 N ATOM 379 CA ARG A 28 5.181 2.202 -8.085 1.00 0.00 C ATOM 380 C ARG A 28 5.830 3.564 -8.310 1.00 0.00 C ATOM 381 O ARG A 28 5.229 4.602 -8.034 1.00 0.00 O ATOM 382 CB ARG A 28 4.119 1.948 -9.156 1.00 0.00 C ATOM 383 CG ARG A 28 2.998 2.975 -9.158 1.00 0.00 C ATOM 384 CD ARG A 28 2.159 2.882 -10.423 1.00 0.00 C ATOM 385 NE ARG A 28 1.275 1.720 -10.409 1.00 0.00 N ATOM 386 CZ ARG A 28 0.717 1.208 -11.501 1.00 0.00 C ATOM 387 NH1 ARG A 28 0.952 1.752 -12.687 1.00 0.00 N ATOM 388 NH2 ARG A 28 -0.076 0.148 -11.407 1.00 0.00 N ATOM 0 H ARG A 28 3.972 2.899 -6.521 1.00 0.00 H new ATOM 0 HA ARG A 28 5.953 1.436 -8.158 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.597 1.943 -10.136 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.692 0.957 -9.004 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.362 2.822 -8.286 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.420 3.976 -9.073 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.564 3.789 -10.531 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.816 2.827 -11.291 1.00 0.00 H new ATOM 0 HE ARG A 28 1.075 1.277 -9.512 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.562 2.566 -12.763 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.522 1.357 -13.523 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.257 -0.274 -10.496 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.504 -0.245 -12.245 1.00 0.00 H new ATOM 402 N GLY A 29 7.061 3.553 -8.811 1.00 0.00 N ATOM 403 CA GLY A 29 7.771 4.793 -9.063 1.00 0.00 C ATOM 404 C GLY A 29 9.272 4.642 -8.914 1.00 0.00 C ATOM 405 O GLY A 29 9.831 3.591 -9.223 1.00 0.00 O ATOM 0 H GLY A 29 7.580 2.707 -9.047 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.542 5.141 -10.070 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.416 5.558 -8.373 1.00 0.00 H new ATOM 409 N GLY A 30 9.927 5.698 -8.440 1.00 0.00 N ATOM 410 CA GLY A 30 11.367 5.658 -8.261 1.00 0.00 C ATOM 411 C GLY A 30 12.071 6.798 -8.971 1.00 0.00 C ATOM 412 O GLY A 30 11.714 7.153 -10.094 1.00 0.00 O ATOM 0 H GLY A 30 9.487 6.580 -8.177 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.599 5.698 -7.197 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.750 4.709 -8.635 1.00 0.00 H new ATOM 611 N GLY A 45 7.950 10.245 -9.616 1.00 0.00 N ATOM 612 CA GLY A 45 7.248 10.212 -8.346 1.00 0.00 C ATOM 613 C GLY A 45 7.054 8.801 -7.828 1.00 0.00 C ATOM 614 O GLY A 45 7.402 7.832 -8.503 1.00 0.00 O ATOM 0 HA2 GLY A 45 7.806 10.792 -7.611 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.276 10.691 -8.459 1.00 0.00 H new ATOM 618 N ILE A 46 6.498 8.685 -6.627 1.00 0.00 N ATOM 619 CA ILE A 46 6.259 7.382 -6.019 1.00 0.00 C ATOM 620 C ILE A 46 4.906 7.343 -5.316 1.00 0.00 C ATOM 621 O ILE A 46 4.679 8.064 -4.344 1.00 0.00 O ATOM 622 CB ILE A 46 7.362 7.022 -5.006 1.00 0.00 C ATOM 623 CG1 ILE A 46 8.737 7.085 -5.673 1.00 0.00 C ATOM 624 CG2 ILE A 46 7.113 5.640 -4.421 1.00 0.00 C ATOM 625 CD1 ILE A 46 9.887 7.061 -4.691 1.00 0.00 C ATOM 0 H ILE A 46 6.205 9.477 -6.056 1.00 0.00 H new ATOM 0 HA ILE A 46 6.267 6.651 -6.827 1.00 0.00 H new ATOM 0 HB ILE A 46 7.340 7.748 -4.193 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.838 6.244 -6.359 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.800 7.994 -6.272 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.901 5.400 -3.707 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.148 5.628 -3.914 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.112 4.901 -5.222 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.831 7.108 -5.235 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.811 7.917 -4.021 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.849 6.140 -4.109 1.00 0.00 H new ATOM 637 N PHE A 47 4.011 6.496 -5.813 1.00 0.00 N ATOM 638 CA PHE A 47 2.680 6.362 -5.232 1.00 0.00 C ATOM 639 C PHE A 47 2.319 4.893 -5.034 1.00 0.00 C ATOM 640 O PHE A 47 2.948 4.005 -5.609 1.00 0.00 O ATOM 641 CB PHE A 47 1.640 7.039 -6.126 1.00 0.00 C ATOM 642 CG PHE A 47 2.078 8.377 -6.648 1.00 0.00 C ATOM 643 CD1 PHE A 47 3.182 8.484 -7.478 1.00 0.00 C ATOM 644 CD2 PHE A 47 1.386 9.529 -6.308 1.00 0.00 C ATOM 645 CE1 PHE A 47 3.588 9.714 -7.961 1.00 0.00 C ATOM 646 CE2 PHE A 47 1.787 10.761 -6.788 1.00 0.00 C ATOM 647 CZ PHE A 47 2.890 10.854 -7.614 1.00 0.00 C ATOM 0 H PHE A 47 4.183 5.892 -6.617 1.00 0.00 H new ATOM 0 HA PHE A 47 2.685 6.851 -4.258 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.416 6.385 -6.969 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.715 7.163 -5.564 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.732 7.596 -7.751 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.524 9.463 -5.661 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.450 9.783 -8.609 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.238 11.651 -6.517 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.206 11.817 -7.988 1.00 0.00 H new ATOM 657 N ILE A 48 1.301 4.645 -4.216 1.00 0.00 N ATOM 658 CA ILE A 48 0.855 3.284 -3.943 1.00 0.00 C ATOM 659 C ILE A 48 0.237 2.649 -5.183 1.00 0.00 C ATOM 660 O ILE A 48 -0.687 3.199 -5.781 1.00 0.00 O ATOM 661 CB ILE A 48 -0.172 3.248 -2.795 1.00 0.00 C ATOM 662 CG1 ILE A 48 0.489 3.656 -1.477 1.00 0.00 C ATOM 663 CG2 ILE A 48 -0.787 1.862 -2.679 1.00 0.00 C ATOM 664 CD1 ILE A 48 -0.471 4.275 -0.486 1.00 0.00 C ATOM 0 H ILE A 48 0.770 5.368 -3.731 1.00 0.00 H new ATOM 0 HA ILE A 48 1.737 2.716 -3.648 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.967 3.960 -3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.950 2.778 -1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.290 4.365 -1.686 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.510 1.852 -1.864 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.289 1.607 -3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.003 1.132 -2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.066 4.540 0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.914 5.172 -0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.259 3.560 -0.248 1.00 0.00 H new ATOM 676 N SER A 49 0.754 1.484 -5.564 1.00 0.00 N ATOM 677 CA SER A 49 0.254 0.774 -6.736 1.00 0.00 C ATOM 678 C SER A 49 -0.756 -0.296 -6.332 1.00 0.00 C ATOM 679 O SER A 49 -1.445 -0.868 -7.177 1.00 0.00 O ATOM 680 CB SER A 49 1.413 0.133 -7.502 1.00 0.00 C ATOM 681 OG SER A 49 1.978 -0.939 -6.769 1.00 0.00 O ATOM 0 H SER A 49 1.518 1.013 -5.079 1.00 0.00 H new ATOM 0 HA SER A 49 -0.245 1.496 -7.383 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.059 -0.229 -8.467 1.00 0.00 H new ATOM 0 HB3 SER A 49 2.178 0.883 -7.704 1.00 0.00 H new ATOM 0 HG SER A 49 2.715 -1.333 -7.281 1.00 0.00 H new ATOM 687 N LYS A 50 -0.840 -0.561 -5.032 1.00 0.00 N ATOM 688 CA LYS A 50 -1.766 -1.560 -4.513 1.00 0.00 C ATOM 689 C LYS A 50 -1.733 -1.593 -2.989 1.00 0.00 C ATOM 690 O LYS A 50 -0.839 -1.021 -2.365 1.00 0.00 O ATOM 691 CB LYS A 50 -1.422 -2.943 -5.071 1.00 0.00 C ATOM 692 CG LYS A 50 -2.430 -4.017 -4.700 1.00 0.00 C ATOM 693 CD LYS A 50 -2.249 -5.268 -5.544 1.00 0.00 C ATOM 694 CE LYS A 50 -2.868 -5.103 -6.923 1.00 0.00 C ATOM 695 NZ LYS A 50 -4.338 -5.341 -6.904 1.00 0.00 N ATOM 0 H LYS A 50 -0.277 -0.097 -4.319 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.772 -1.286 -4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.354 -2.881 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.438 -3.238 -4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.322 -4.270 -3.645 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.440 -3.630 -4.833 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.187 -5.490 -5.645 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.706 -6.119 -5.038 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.668 -4.097 -7.293 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.397 -5.798 -7.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.722 -5.219 -7.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.529 -6.309 -6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.791 -4.661 -6.260 1.00 0.00 H new ATOM 709 N VAL A 51 -2.711 -2.268 -2.394 1.00 0.00 N ATOM 710 CA VAL A 51 -2.792 -2.378 -0.942 1.00 0.00 C ATOM 711 C VAL A 51 -3.452 -3.687 -0.526 1.00 0.00 C ATOM 712 O VAL A 51 -4.633 -3.911 -0.792 1.00 0.00 O ATOM 713 CB VAL A 51 -3.579 -1.202 -0.333 1.00 0.00 C ATOM 714 CG1 VAL A 51 -3.656 -1.337 1.180 1.00 0.00 C ATOM 715 CG2 VAL A 51 -2.946 0.124 -0.727 1.00 0.00 C ATOM 0 H VAL A 51 -3.459 -2.747 -2.895 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.769 -2.355 -0.565 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.595 -1.225 -0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.216 -0.497 1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.159 -2.269 1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.649 -1.341 1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.515 0.944 -0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.919 0.159 -0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.950 0.221 -1.813 1.00 0.00 H new ATOM 725 N SER A 52 -2.682 -4.550 0.130 1.00 0.00 N ATOM 726 CA SER A 52 -3.191 -5.840 0.581 1.00 0.00 C ATOM 727 C SER A 52 -4.238 -5.658 1.676 1.00 0.00 C ATOM 728 O SER A 52 -4.106 -4.812 2.561 1.00 0.00 O ATOM 729 CB SER A 52 -2.045 -6.713 1.094 1.00 0.00 C ATOM 730 OG SER A 52 -2.393 -8.086 1.056 1.00 0.00 O ATOM 0 H SER A 52 -1.703 -4.379 0.361 1.00 0.00 H new ATOM 0 HA SER A 52 -3.662 -6.335 -0.269 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.155 -6.543 0.488 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.794 -6.426 2.115 1.00 0.00 H new ATOM 0 HG SER A 52 -1.643 -8.623 1.387 1.00 0.00 H new ATOM 736 N PRO A 53 -5.303 -6.471 1.616 1.00 0.00 N ATOM 737 CA PRO A 53 -6.393 -6.420 2.595 1.00 0.00 C ATOM 738 C PRO A 53 -5.963 -6.924 3.969 1.00 0.00 C ATOM 739 O PRO A 53 -6.472 -6.473 4.995 1.00 0.00 O ATOM 740 CB PRO A 53 -7.453 -7.346 1.994 1.00 0.00 C ATOM 741 CG PRO A 53 -6.687 -8.288 1.131 1.00 0.00 C ATOM 742 CD PRO A 53 -5.525 -7.502 0.589 1.00 0.00 C ATOM 0 HA PRO A 53 -6.742 -5.401 2.763 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.001 -7.878 2.772 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.186 -6.785 1.414 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -6.342 -9.149 1.703 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -7.310 -8.671 0.323 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.644 -8.129 0.452 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.756 -7.061 -0.381 1.00 0.00 H new ATOM 750 N THR A 54 -5.020 -7.862 3.982 1.00 0.00 N ATOM 751 CA THR A 54 -4.522 -8.427 5.229 1.00 0.00 C ATOM 752 C THR A 54 -3.387 -7.584 5.800 1.00 0.00 C ATOM 753 O THR A 54 -2.941 -7.807 6.925 1.00 0.00 O ATOM 754 CB THR A 54 -4.024 -9.871 5.032 1.00 0.00 C ATOM 755 OG1 THR A 54 -2.789 -9.869 4.308 1.00 0.00 O ATOM 756 CG2 THR A 54 -5.056 -10.701 4.283 1.00 0.00 C ATOM 0 H THR A 54 -4.586 -8.246 3.142 1.00 0.00 H new ATOM 0 HA THR A 54 -5.357 -8.431 5.930 1.00 0.00 H new ATOM 0 HB THR A 54 -3.867 -10.315 6.015 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.478 -10.791 4.189 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.683 -11.717 4.155 1.00 0.00 H new ATOM 0 HG22 THR A 54 -5.986 -10.725 4.851 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.240 -10.257 3.305 1.00 0.00 H new ATOM 764 N GLY A 55 -2.925 -6.614 5.017 1.00 0.00 N ATOM 765 CA GLY A 55 -1.846 -5.751 5.463 1.00 0.00 C ATOM 766 C GLY A 55 -2.308 -4.720 6.474 1.00 0.00 C ATOM 767 O GLY A 55 -3.494 -4.399 6.545 1.00 0.00 O ATOM 0 H GLY A 55 -3.278 -6.410 4.082 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.057 -6.360 5.904 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.412 -5.242 4.602 1.00 0.00 H new ATOM 771 N ALA A 56 -1.370 -4.201 7.258 1.00 0.00 N ATOM 772 CA ALA A 56 -1.687 -3.199 8.269 1.00 0.00 C ATOM 773 C ALA A 56 -2.511 -2.062 7.675 1.00 0.00 C ATOM 774 O ALA A 56 -3.435 -1.555 8.311 1.00 0.00 O ATOM 775 CB ALA A 56 -0.410 -2.658 8.894 1.00 0.00 C ATOM 0 H ALA A 56 -0.384 -4.457 7.213 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.284 -3.678 9.045 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.662 -1.911 9.647 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.140 -3.474 9.362 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.208 -2.201 8.121 1.00 0.00 H new ATOM 781 N ALA A 57 -2.170 -1.665 6.454 1.00 0.00 N ATOM 782 CA ALA A 57 -2.879 -0.588 5.774 1.00 0.00 C ATOM 783 C ALA A 57 -4.283 -1.025 5.370 1.00 0.00 C ATOM 784 O ALA A 57 -5.275 -0.437 5.800 1.00 0.00 O ATOM 785 CB ALA A 57 -2.096 -0.127 4.554 1.00 0.00 C ATOM 0 H ALA A 57 -1.406 -2.073 5.915 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.972 0.247 6.468 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.638 0.677 4.057 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.116 0.234 4.866 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.972 -0.962 3.864 1.00 0.00 H new ATOM 791 N GLY A 58 -4.360 -2.061 4.540 1.00 0.00 N ATOM 792 CA GLY A 58 -5.647 -2.558 4.091 1.00 0.00 C ATOM 793 C GLY A 58 -6.680 -2.578 5.201 1.00 0.00 C ATOM 794 O GLY A 58 -7.833 -2.201 4.991 1.00 0.00 O ATOM 0 H GLY A 58 -3.554 -2.565 4.171 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.009 -1.934 3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.525 -3.566 3.694 1.00 0.00 H new ATOM 798 N ARG A 59 -6.267 -3.021 6.383 1.00 0.00 N ATOM 799 CA ARG A 59 -7.165 -3.092 7.529 1.00 0.00 C ATOM 800 C ARG A 59 -7.318 -1.723 8.186 1.00 0.00 C ATOM 801 O ARG A 59 -8.371 -1.402 8.738 1.00 0.00 O ATOM 802 CB ARG A 59 -6.645 -4.104 8.551 1.00 0.00 C ATOM 803 CG ARG A 59 -5.373 -3.659 9.255 1.00 0.00 C ATOM 804 CD ARG A 59 -4.958 -4.649 10.333 1.00 0.00 C ATOM 805 NE ARG A 59 -3.592 -4.415 10.794 1.00 0.00 N ATOM 806 CZ ARG A 59 -2.833 -5.353 11.349 1.00 0.00 C ATOM 807 NH1 ARG A 59 -3.304 -6.582 11.511 1.00 0.00 N ATOM 808 NH2 ARG A 59 -1.599 -5.063 11.743 1.00 0.00 N ATOM 0 H ARG A 59 -5.316 -3.336 6.573 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.142 -3.416 7.172 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.419 -4.285 9.297 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.459 -5.053 8.048 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.569 -3.555 8.526 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.527 -2.677 9.701 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.643 -4.574 11.177 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.041 -5.664 9.944 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.199 -3.480 10.684 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.251 -6.809 11.209 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.719 -7.300 11.938 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.233 -4.119 11.620 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.017 -5.784 12.169 1.00 0.00 H new ATOM 822 N ASP A 60 -6.261 -0.921 8.122 1.00 0.00 N ATOM 823 CA ASP A 60 -6.277 0.414 8.710 1.00 0.00 C ATOM 824 C ASP A 60 -7.512 1.189 8.262 1.00 0.00 C ATOM 825 O ASP A 60 -8.437 1.409 9.043 1.00 0.00 O ATOM 826 CB ASP A 60 -5.011 1.180 8.324 1.00 0.00 C ATOM 827 CG ASP A 60 -5.036 2.618 8.801 1.00 0.00 C ATOM 828 OD1 ASP A 60 -5.102 2.835 10.030 1.00 0.00 O ATOM 829 OD2 ASP A 60 -4.989 3.527 7.947 1.00 0.00 O ATOM 0 H ASP A 60 -5.382 -1.172 7.669 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.310 0.307 9.794 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.142 0.675 8.746 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.895 1.162 7.240 1.00 0.00 H new ATOM 834 N GLY A 61 -7.519 1.603 6.998 1.00 0.00 N ATOM 835 CA GLY A 61 -8.644 2.351 6.469 1.00 0.00 C ATOM 836 C GLY A 61 -8.245 3.729 5.978 1.00 0.00 C ATOM 837 O GLY A 61 -9.040 4.424 5.344 1.00 0.00 O ATOM 0 H GLY A 61 -6.766 1.433 6.332 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.094 1.792 5.648 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.406 2.451 7.242 1.00 0.00 H new ATOM 841 N ARG A 62 -7.012 4.126 6.273 1.00 0.00 N ATOM 842 CA ARG A 62 -6.510 5.432 5.860 1.00 0.00 C ATOM 843 C ARG A 62 -5.554 5.298 4.679 1.00 0.00 C ATOM 844 O ARG A 62 -5.177 6.291 4.055 1.00 0.00 O ATOM 845 CB ARG A 62 -5.802 6.122 7.027 1.00 0.00 C ATOM 846 CG ARG A 62 -6.514 5.950 8.359 1.00 0.00 C ATOM 847 CD ARG A 62 -7.621 6.978 8.536 1.00 0.00 C ATOM 848 NE ARG A 62 -8.837 6.600 7.820 1.00 0.00 N ATOM 849 CZ ARG A 62 -9.975 7.282 7.895 1.00 0.00 C ATOM 850 NH1 ARG A 62 -10.052 8.369 8.649 1.00 0.00 N ATOM 851 NH2 ARG A 62 -11.039 6.875 7.213 1.00 0.00 N ATOM 0 H ARG A 62 -6.342 3.563 6.796 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.361 6.039 5.550 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.790 5.726 7.112 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.711 7.186 6.808 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.935 4.946 8.421 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.795 6.045 9.172 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.845 7.091 9.597 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.276 7.948 8.178 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.811 5.768 7.231 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.236 8.684 9.174 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.927 8.890 8.704 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.983 6.039 6.632 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.913 7.398 7.271 1.00 0.00 H new ATOM 865 N LEU A 63 -5.164 4.064 4.377 1.00 0.00 N ATOM 866 CA LEU A 63 -4.251 3.799 3.270 1.00 0.00 C ATOM 867 C LEU A 63 -4.994 3.190 2.085 1.00 0.00 C ATOM 868 O LEU A 63 -5.796 2.271 2.249 1.00 0.00 O ATOM 869 CB LEU A 63 -3.130 2.861 3.721 1.00 0.00 C ATOM 870 CG LEU A 63 -1.909 2.785 2.805 1.00 0.00 C ATOM 871 CD1 LEU A 63 -2.256 2.064 1.511 1.00 0.00 C ATOM 872 CD2 LEU A 63 -1.374 4.180 2.513 1.00 0.00 C ATOM 0 H LEU A 63 -5.466 3.231 4.883 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.817 4.748 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.798 3.174 4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.543 1.858 3.826 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.131 2.218 3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.374 2.020 0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.592 1.052 1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.051 2.603 0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.505 4.107 1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.148 4.771 2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.086 4.662 3.447 1.00 0.00 H new ATOM 884 N ARG A 64 -4.719 3.707 0.892 1.00 0.00 N ATOM 885 CA ARG A 64 -5.360 3.214 -0.321 1.00 0.00 C ATOM 886 C ARG A 64 -4.391 3.246 -1.499 1.00 0.00 C ATOM 887 O ARG A 64 -3.243 3.666 -1.361 1.00 0.00 O ATOM 888 CB ARG A 64 -6.600 4.049 -0.643 1.00 0.00 C ATOM 889 CG ARG A 64 -7.365 4.505 0.589 1.00 0.00 C ATOM 890 CD ARG A 64 -8.805 4.857 0.252 1.00 0.00 C ATOM 891 NE ARG A 64 -9.628 3.667 0.055 1.00 0.00 N ATOM 892 CZ ARG A 64 -10.934 3.708 -0.183 1.00 0.00 C ATOM 893 NH1 ARG A 64 -11.563 4.873 -0.253 1.00 0.00 N ATOM 894 NH2 ARG A 64 -11.614 2.581 -0.351 1.00 0.00 N ATOM 0 H ARG A 64 -4.056 4.467 0.740 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.661 2.181 -0.149 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.299 4.925 -1.218 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.266 3.465 -1.278 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.349 3.716 1.341 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.870 5.372 1.026 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.228 5.461 1.055 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.827 5.467 -0.651 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.175 2.754 0.103 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.044 5.741 -0.124 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.566 4.901 -0.436 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.134 1.683 -0.297 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.617 2.613 -0.534 1.00 0.00 H new ATOM 908 N VAL A 65 -4.863 2.797 -2.658 1.00 0.00 N ATOM 909 CA VAL A 65 -4.039 2.775 -3.862 1.00 0.00 C ATOM 910 C VAL A 65 -4.134 4.095 -4.617 1.00 0.00 C ATOM 911 O VAL A 65 -5.023 4.286 -5.446 1.00 0.00 O ATOM 912 CB VAL A 65 -4.451 1.627 -4.802 1.00 0.00 C ATOM 913 CG1 VAL A 65 -3.401 1.418 -5.882 1.00 0.00 C ATOM 914 CG2 VAL A 65 -4.678 0.347 -4.013 1.00 0.00 C ATOM 0 H VAL A 65 -5.811 2.444 -2.789 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.010 2.619 -3.539 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.388 1.898 -5.288 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.710 0.603 -6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.293 2.332 -6.466 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.446 1.169 -5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.968 -0.453 -4.694 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.759 0.069 -3.498 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.470 0.506 -3.281 1.00 0.00 H new ATOM 924 N GLY A 66 -3.210 5.006 -4.325 1.00 0.00 N ATOM 925 CA GLY A 66 -3.207 6.298 -4.986 1.00 0.00 C ATOM 926 C GLY A 66 -2.598 7.387 -4.126 1.00 0.00 C ATOM 927 O GLY A 66 -2.299 8.479 -4.613 1.00 0.00 O ATOM 0 H GLY A 66 -2.464 4.872 -3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.651 6.223 -5.920 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.230 6.573 -5.245 1.00 0.00 H new ATOM 931 N LEU A 67 -2.415 7.093 -2.844 1.00 0.00 N ATOM 932 CA LEU A 67 -1.839 8.057 -1.912 1.00 0.00 C ATOM 933 C LEU A 67 -0.343 8.225 -2.159 1.00 0.00 C ATOM 934 O LEU A 67 0.446 7.318 -1.892 1.00 0.00 O ATOM 935 CB LEU A 67 -2.083 7.611 -0.470 1.00 0.00 C ATOM 936 CG LEU A 67 -3.540 7.351 -0.085 1.00 0.00 C ATOM 937 CD1 LEU A 67 -3.665 7.133 1.415 1.00 0.00 C ATOM 938 CD2 LEU A 67 -4.424 8.505 -0.535 1.00 0.00 C ATOM 0 H LEU A 67 -2.657 6.195 -2.425 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.326 9.019 -2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.513 6.699 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.682 8.374 0.198 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.874 6.445 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.709 6.950 1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.063 6.273 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.313 8.020 1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.457 8.303 -0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.091 9.426 -0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.358 8.613 -1.618 1.00 0.00 H new ATOM 950 N ARG A 68 0.041 9.392 -2.667 1.00 0.00 N ATOM 951 CA ARG A 68 1.442 9.679 -2.948 1.00 0.00 C ATOM 952 C ARG A 68 2.271 9.646 -1.667 1.00 0.00 C ATOM 953 O ARG A 68 1.990 10.374 -0.715 1.00 0.00 O ATOM 954 CB ARG A 68 1.580 11.045 -3.623 1.00 0.00 C ATOM 955 CG ARG A 68 3.017 11.427 -3.937 1.00 0.00 C ATOM 956 CD ARG A 68 3.162 12.926 -4.145 1.00 0.00 C ATOM 957 NE ARG A 68 2.986 13.305 -5.545 1.00 0.00 N ATOM 958 CZ ARG A 68 2.669 14.532 -5.940 1.00 0.00 C ATOM 959 NH1 ARG A 68 2.493 15.496 -5.046 1.00 0.00 N ATOM 960 NH2 ARG A 68 2.526 14.799 -7.232 1.00 0.00 N ATOM 0 H ARG A 68 -0.599 10.154 -2.892 1.00 0.00 H new ATOM 0 HA ARG A 68 1.816 8.909 -3.623 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.003 11.044 -4.548 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.144 11.806 -2.976 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.666 11.107 -3.122 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.347 10.901 -4.833 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.428 13.449 -3.533 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.147 13.246 -3.804 1.00 0.00 H new ATOM 0 HE ARG A 68 3.114 12.587 -6.258 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.601 15.295 -4.052 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.249 16.438 -5.353 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.660 14.061 -7.923 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.282 15.742 -7.534 1.00 0.00 H new ATOM 974 N LEU A 69 3.293 8.797 -1.652 1.00 0.00 N ATOM 975 CA LEU A 69 4.163 8.669 -0.488 1.00 0.00 C ATOM 976 C LEU A 69 5.048 9.901 -0.331 1.00 0.00 C ATOM 977 O LEU A 69 5.994 10.101 -1.094 1.00 0.00 O ATOM 978 CB LEU A 69 5.032 7.416 -0.612 1.00 0.00 C ATOM 979 CG LEU A 69 4.518 6.169 0.108 1.00 0.00 C ATOM 980 CD1 LEU A 69 4.759 6.279 1.605 1.00 0.00 C ATOM 981 CD2 LEU A 69 3.039 5.957 -0.182 1.00 0.00 C ATOM 0 H LEU A 69 3.539 8.188 -2.432 1.00 0.00 H new ATOM 0 HA LEU A 69 3.533 8.582 0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.145 7.180 -1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.026 7.648 -0.230 1.00 0.00 H new ATOM 0 HG LEU A 69 5.068 5.305 -0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.387 5.382 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.827 6.381 1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.236 7.152 1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.690 5.065 0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.473 6.823 0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.893 5.831 -1.255 1.00 0.00 H new ATOM 993 N LEU A 70 4.736 10.724 0.664 1.00 0.00 N ATOM 994 CA LEU A 70 5.504 11.937 0.923 1.00 0.00 C ATOM 995 C LEU A 70 6.701 11.642 1.821 1.00 0.00 C ATOM 996 O LEU A 70 7.801 12.144 1.590 1.00 0.00 O ATOM 997 CB LEU A 70 4.615 12.998 1.573 1.00 0.00 C ATOM 998 CG LEU A 70 3.852 13.914 0.615 1.00 0.00 C ATOM 999 CD1 LEU A 70 4.762 14.388 -0.508 1.00 0.00 C ATOM 1000 CD2 LEU A 70 2.634 13.198 0.050 1.00 0.00 C ATOM 0 H LEU A 70 3.957 10.574 1.305 1.00 0.00 H new ATOM 0 HA LEU A 70 5.872 12.315 -0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.892 12.494 2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.237 13.618 2.219 1.00 0.00 H new ATOM 0 HG LEU A 70 3.510 14.787 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.202 15.039 -1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.603 14.939 -0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.134 13.527 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.103 13.864 -0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.954 12.308 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.971 12.908 0.866 1.00 0.00 H new ATOM 1012 N GLU A 71 6.480 10.822 2.844 1.00 0.00 N ATOM 1013 CA GLU A 71 7.542 10.459 3.775 1.00 0.00 C ATOM 1014 C GLU A 71 7.173 9.202 4.558 1.00 0.00 C ATOM 1015 O GLU A 71 6.028 9.030 4.974 1.00 0.00 O ATOM 1016 CB GLU A 71 7.819 11.612 4.742 1.00 0.00 C ATOM 1017 CG GLU A 71 8.148 12.923 4.048 1.00 0.00 C ATOM 1018 CD GLU A 71 8.509 14.026 5.024 1.00 0.00 C ATOM 1019 OE1 GLU A 71 9.451 13.827 5.821 1.00 0.00 O ATOM 1020 OE2 GLU A 71 7.851 15.087 4.992 1.00 0.00 O ATOM 0 H GLU A 71 5.576 10.397 3.049 1.00 0.00 H new ATOM 0 HA GLU A 71 8.443 10.255 3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.947 11.757 5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.649 11.337 5.393 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.978 12.767 3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.293 13.238 3.450 1.00 0.00 H new ATOM 1027 N VAL A 72 8.153 8.326 4.754 1.00 0.00 N ATOM 1028 CA VAL A 72 7.933 7.084 5.486 1.00 0.00 C ATOM 1029 C VAL A 72 8.786 7.033 6.749 1.00 0.00 C ATOM 1030 O VAL A 72 10.003 6.869 6.682 1.00 0.00 O ATOM 1031 CB VAL A 72 8.252 5.855 4.615 1.00 0.00 C ATOM 1032 CG1 VAL A 72 8.025 4.571 5.400 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.412 5.869 3.347 1.00 0.00 C ATOM 0 H VAL A 72 9.107 8.453 4.416 1.00 0.00 H new ATOM 0 HA VAL A 72 6.879 7.061 5.761 1.00 0.00 H new ATOM 0 HB VAL A 72 9.303 5.897 4.328 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.255 3.713 4.769 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.673 4.561 6.276 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.984 4.518 5.718 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.650 4.993 2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.355 5.851 3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.628 6.773 2.777 1.00 0.00 H new ATOM 1043 N ASN A 73 8.137 7.175 7.900 1.00 0.00 N ATOM 1044 CA ASN A 73 8.835 7.146 9.180 1.00 0.00 C ATOM 1045 C ASN A 73 9.779 8.337 9.313 1.00 0.00 C ATOM 1046 O ASN A 73 10.902 8.200 9.798 1.00 0.00 O ATOM 1047 CB ASN A 73 9.620 5.840 9.326 1.00 0.00 C ATOM 1048 CG ASN A 73 8.848 4.784 10.094 1.00 0.00 C ATOM 1049 OD1 ASN A 73 8.205 5.079 11.101 1.00 0.00 O ATOM 1050 ND2 ASN A 73 8.908 3.546 9.619 1.00 0.00 N ATOM 0 H ASN A 73 7.129 7.311 7.973 1.00 0.00 H new ATOM 0 HA ASN A 73 8.090 7.206 9.973 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.869 5.456 8.337 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.562 6.041 9.836 1.00 0.00 H new ATOM 0 HD21 ASN A 73 8.408 2.793 10.092 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.454 3.347 8.781 1.00 0.00 H new ATOM 1057 N GLN A 74 9.315 9.504 8.878 1.00 0.00 N ATOM 1058 CA GLN A 74 10.118 10.719 8.948 1.00 0.00 C ATOM 1059 C GLN A 74 11.363 10.600 8.075 1.00 0.00 C ATOM 1060 O GLN A 74 12.432 11.094 8.432 1.00 0.00 O ATOM 1061 CB GLN A 74 10.522 11.006 10.396 1.00 0.00 C ATOM 1062 CG GLN A 74 9.355 11.401 11.286 1.00 0.00 C ATOM 1063 CD GLN A 74 9.589 11.052 12.743 1.00 0.00 C ATOM 1064 OE1 GLN A 74 10.029 11.890 13.531 1.00 0.00 O ATOM 1065 NE2 GLN A 74 9.293 9.811 13.109 1.00 0.00 N ATOM 0 H GLN A 74 8.388 9.634 8.474 1.00 0.00 H new ATOM 0 HA GLN A 74 9.513 11.546 8.576 1.00 0.00 H new ATOM 0 HB2 GLN A 74 11.003 10.121 10.813 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.263 11.805 10.406 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.181 12.473 11.196 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.451 10.901 10.937 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.931 9.149 12.422 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.428 9.519 14.077 1.00 0.00 H new ATOM 1074 N GLN A 75 11.215 9.942 6.929 1.00 0.00 N ATOM 1075 CA GLN A 75 12.328 9.757 6.006 1.00 0.00 C ATOM 1076 C GLN A 75 11.918 10.116 4.581 1.00 0.00 C ATOM 1077 O GLN A 75 11.426 9.270 3.835 1.00 0.00 O ATOM 1078 CB GLN A 75 12.827 8.312 6.057 1.00 0.00 C ATOM 1079 CG GLN A 75 13.221 7.854 7.452 1.00 0.00 C ATOM 1080 CD GLN A 75 14.278 6.767 7.432 1.00 0.00 C ATOM 1081 OE1 GLN A 75 15.243 6.837 6.671 1.00 0.00 O ATOM 1082 NE2 GLN A 75 14.101 5.754 8.272 1.00 0.00 N ATOM 0 H GLN A 75 10.336 9.529 6.618 1.00 0.00 H new ATOM 0 HA GLN A 75 13.135 10.423 6.312 1.00 0.00 H new ATOM 0 HB2 GLN A 75 12.048 7.653 5.674 1.00 0.00 H new ATOM 0 HB3 GLN A 75 13.686 8.209 5.394 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.593 8.707 8.019 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.337 7.486 7.973 1.00 0.00 H new ATOM 0 HE21 GLN A 75 13.286 5.737 8.885 1.00 0.00 H new ATOM 0 HE22 GLN A 75 14.780 4.993 8.304 1.00 0.00 H new ATOM 1091 N SER A 76 12.124 11.376 4.211 1.00 0.00 N ATOM 1092 CA SER A 76 11.772 11.848 2.877 1.00 0.00 C ATOM 1093 C SER A 76 12.283 10.886 1.808 1.00 0.00 C ATOM 1094 O SER A 76 13.466 10.543 1.779 1.00 0.00 O ATOM 1095 CB SER A 76 12.348 13.245 2.638 1.00 0.00 C ATOM 1096 OG SER A 76 12.026 13.715 1.341 1.00 0.00 O ATOM 0 H SER A 76 12.533 12.088 4.816 1.00 0.00 H new ATOM 0 HA SER A 76 10.685 11.895 2.811 1.00 0.00 H new ATOM 0 HB2 SER A 76 11.957 13.935 3.386 1.00 0.00 H new ATOM 0 HB3 SER A 76 13.431 13.221 2.761 1.00 0.00 H new ATOM 0 HG SER A 76 12.404 14.610 1.214 1.00 0.00 H new ATOM 1102 N LEU A 77 11.384 10.454 0.931 1.00 0.00 N ATOM 1103 CA LEU A 77 11.742 9.531 -0.140 1.00 0.00 C ATOM 1104 C LEU A 77 12.449 10.264 -1.276 1.00 0.00 C ATOM 1105 O LEU A 77 12.817 9.660 -2.285 1.00 0.00 O ATOM 1106 CB LEU A 77 10.492 8.828 -0.673 1.00 0.00 C ATOM 1107 CG LEU A 77 9.561 8.225 0.380 1.00 0.00 C ATOM 1108 CD1 LEU A 77 8.556 7.288 -0.270 1.00 0.00 C ATOM 1109 CD2 LEU A 77 10.364 7.493 1.445 1.00 0.00 C ATOM 0 H LEU A 77 10.402 10.728 0.940 1.00 0.00 H new ATOM 0 HA LEU A 77 12.425 8.786 0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.922 9.543 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.807 8.033 -1.349 1.00 0.00 H new ATOM 0 HG LEU A 77 9.013 9.036 0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.902 6.869 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.959 7.841 -0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.086 6.481 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.685 7.070 2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.939 6.692 0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.044 8.192 1.932 1.00 0.00 H new ATOM 1121 N LEU A 78 12.638 11.568 -1.105 1.00 0.00 N ATOM 1122 CA LEU A 78 13.305 12.383 -2.114 1.00 0.00 C ATOM 1123 C LEU A 78 14.800 12.084 -2.156 1.00 0.00 C ATOM 1124 O LEU A 78 15.534 12.402 -1.222 1.00 0.00 O ATOM 1125 CB LEU A 78 13.078 13.869 -1.829 1.00 0.00 C ATOM 1126 CG LEU A 78 13.042 14.789 -3.049 1.00 0.00 C ATOM 1127 CD1 LEU A 78 14.403 14.832 -3.726 1.00 0.00 C ATOM 1128 CD2 LEU A 78 11.971 14.332 -4.030 1.00 0.00 C ATOM 0 H LEU A 78 12.339 12.083 -0.277 1.00 0.00 H new ATOM 0 HA LEU A 78 12.877 12.136 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.136 13.975 -1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.867 14.215 -1.161 1.00 0.00 H new ATOM 0 HG LEU A 78 12.794 15.796 -2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.358 15.492 -4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 78 15.147 15.206 -3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 78 14.681 13.829 -4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.959 14.998 -4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.189 13.316 -4.359 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.997 14.354 -3.541 1.00 0.00 H new ATOM 1140 N GLY A 79 15.245 11.470 -3.249 1.00 0.00 N ATOM 1141 CA GLY A 79 16.650 11.140 -3.394 1.00 0.00 C ATOM 1142 C GLY A 79 16.876 9.664 -3.651 1.00 0.00 C ATOM 1143 O GLY A 79 17.761 9.288 -4.421 1.00 0.00 O ATOM 0 H GLY A 79 14.657 11.196 -4.036 1.00 0.00 H new ATOM 0 HA2 GLY A 79 17.073 11.717 -4.216 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.184 11.434 -2.490 1.00 0.00 H new ATOM 1147 N LEU A 80 16.075 8.823 -3.005 1.00 0.00 N ATOM 1148 CA LEU A 80 16.192 7.378 -3.167 1.00 0.00 C ATOM 1149 C LEU A 80 15.367 6.895 -4.355 1.00 0.00 C ATOM 1150 O LEU A 80 14.534 7.629 -4.888 1.00 0.00 O ATOM 1151 CB LEU A 80 15.739 6.664 -1.892 1.00 0.00 C ATOM 1152 CG LEU A 80 14.597 7.328 -1.121 1.00 0.00 C ATOM 1153 CD1 LEU A 80 13.772 6.284 -0.385 1.00 0.00 C ATOM 1154 CD2 LEU A 80 15.143 8.363 -0.147 1.00 0.00 C ATOM 0 H LEU A 80 15.338 9.117 -2.364 1.00 0.00 H new ATOM 0 HA LEU A 80 17.239 7.142 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 80 15.433 5.652 -2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 80 16.597 6.574 -1.225 1.00 0.00 H new ATOM 0 HG LEU A 80 13.949 7.836 -1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.964 6.775 0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 80 13.351 5.580 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 80 14.408 5.747 0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 80 14.317 8.826 0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.813 7.877 0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.690 9.128 -0.698 1.00 0.00 H new ATOM 1166 N THR A 81 15.601 5.652 -4.765 1.00 0.00 N ATOM 1167 CA THR A 81 14.879 5.069 -5.889 1.00 0.00 C ATOM 1168 C THR A 81 13.793 4.114 -5.409 1.00 0.00 C ATOM 1169 O THR A 81 13.613 3.916 -4.207 1.00 0.00 O ATOM 1170 CB THR A 81 15.830 4.313 -6.836 1.00 0.00 C ATOM 1171 OG1 THR A 81 16.466 3.237 -6.136 1.00 0.00 O ATOM 1172 CG2 THR A 81 16.886 5.249 -7.404 1.00 0.00 C ATOM 0 H THR A 81 16.285 5.030 -4.335 1.00 0.00 H new ATOM 0 HA THR A 81 14.419 5.895 -6.431 1.00 0.00 H new ATOM 0 HB THR A 81 15.241 3.912 -7.661 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.068 2.760 -6.746 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.546 4.692 -8.070 1.00 0.00 H new ATOM 0 HG22 THR A 81 16.400 6.050 -7.961 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.470 5.676 -6.589 1.00 0.00 H new ATOM 1180 N HIS A 82 13.070 3.523 -6.355 1.00 0.00 N ATOM 1181 CA HIS A 82 12.001 2.586 -6.028 1.00 0.00 C ATOM 1182 C HIS A 82 12.491 1.523 -5.050 1.00 0.00 C ATOM 1183 O HIS A 82 11.870 1.284 -4.015 1.00 0.00 O ATOM 1184 CB HIS A 82 11.469 1.922 -7.298 1.00 0.00 C ATOM 1185 CG HIS A 82 10.072 1.400 -7.161 1.00 0.00 C ATOM 1186 ND1 HIS A 82 9.704 0.126 -7.542 1.00 0.00 N ATOM 1187 CD2 HIS A 82 8.951 1.986 -6.681 1.00 0.00 C ATOM 1188 CE1 HIS A 82 8.416 -0.047 -7.303 1.00 0.00 C ATOM 1189 NE2 HIS A 82 7.936 1.067 -6.780 1.00 0.00 N ATOM 0 H HIS A 82 13.205 3.676 -7.354 1.00 0.00 H new ATOM 0 HA HIS A 82 11.194 3.145 -5.555 1.00 0.00 H new ATOM 0 HB2 HIS A 82 11.500 2.643 -8.115 1.00 0.00 H new ATOM 0 HB3 HIS A 82 12.130 1.100 -7.572 1.00 0.00 H new ATOM 0 HD1 HIS A 82 10.328 -0.573 -7.945 1.00 0.00 H new ATOM 0 HD2 HIS A 82 8.870 2.990 -6.292 1.00 0.00 H new ATOM 0 HE1 HIS A 82 7.852 -0.946 -7.501 1.00 0.00 H new ATOM 1198 N GLY A 83 13.608 0.886 -5.386 1.00 0.00 N ATOM 1199 CA GLY A 83 14.162 -0.145 -4.528 1.00 0.00 C ATOM 1200 C GLY A 83 14.395 0.343 -3.112 1.00 0.00 C ATOM 1201 O GLY A 83 14.053 -0.343 -2.149 1.00 0.00 O ATOM 0 H GLY A 83 14.140 1.066 -6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.485 -0.999 -4.508 1.00 0.00 H new ATOM 0 HA3 GLY A 83 15.105 -0.495 -4.948 1.00 0.00 H new ATOM 1205 N GLU A 84 14.980 1.529 -2.985 1.00 0.00 N ATOM 1206 CA GLU A 84 15.260 2.106 -1.675 1.00 0.00 C ATOM 1207 C GLU A 84 13.966 2.456 -0.947 1.00 0.00 C ATOM 1208 O GLU A 84 13.708 1.965 0.152 1.00 0.00 O ATOM 1209 CB GLU A 84 16.131 3.356 -1.820 1.00 0.00 C ATOM 1210 CG GLU A 84 17.622 3.067 -1.783 1.00 0.00 C ATOM 1211 CD GLU A 84 18.458 4.264 -2.190 1.00 0.00 C ATOM 1212 OE1 GLU A 84 18.706 4.432 -3.403 1.00 0.00 O ATOM 1213 OE2 GLU A 84 18.866 5.034 -1.295 1.00 0.00 O ATOM 0 H GLU A 84 15.269 2.109 -3.772 1.00 0.00 H new ATOM 0 HA GLU A 84 15.798 1.363 -1.086 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.889 3.850 -2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.885 4.055 -1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 84 17.903 2.757 -0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 84 17.843 2.231 -2.447 1.00 0.00 H new ATOM 1220 N ALA A 85 13.156 3.308 -1.567 1.00 0.00 N ATOM 1221 CA ALA A 85 11.888 3.722 -0.979 1.00 0.00 C ATOM 1222 C ALA A 85 11.138 2.530 -0.395 1.00 0.00 C ATOM 1223 O ALA A 85 10.640 2.587 0.730 1.00 0.00 O ATOM 1224 CB ALA A 85 11.031 4.430 -2.017 1.00 0.00 C ATOM 0 H ALA A 85 13.355 3.725 -2.476 1.00 0.00 H new ATOM 0 HA ALA A 85 12.103 4.416 -0.166 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.087 4.733 -1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.557 5.311 -2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.833 3.753 -2.848 1.00 0.00 H new ATOM 1230 N VAL A 86 11.060 1.450 -1.166 1.00 0.00 N ATOM 1231 CA VAL A 86 10.370 0.244 -0.725 1.00 0.00 C ATOM 1232 C VAL A 86 10.955 -0.276 0.583 1.00 0.00 C ATOM 1233 O VAL A 86 10.257 -0.370 1.592 1.00 0.00 O ATOM 1234 CB VAL A 86 10.449 -0.868 -1.788 1.00 0.00 C ATOM 1235 CG1 VAL A 86 9.854 -2.162 -1.253 1.00 0.00 C ATOM 1236 CG2 VAL A 86 9.744 -0.435 -3.065 1.00 0.00 C ATOM 0 H VAL A 86 11.466 1.386 -2.099 1.00 0.00 H new ATOM 0 HA VAL A 86 9.326 0.515 -0.570 1.00 0.00 H new ATOM 0 HB VAL A 86 11.498 -1.049 -2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.919 -2.936 -2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.407 -2.479 -0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.809 -2.000 -0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 86 9.810 -1.232 -3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.696 -0.225 -2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.220 0.464 -3.457 1.00 0.00 H new ATOM 1246 N GLN A 87 12.241 -0.613 0.558 1.00 0.00 N ATOM 1247 CA GLN A 87 12.920 -1.124 1.743 1.00 0.00 C ATOM 1248 C GLN A 87 12.676 -0.216 2.944 1.00 0.00 C ATOM 1249 O GLN A 87 12.724 -0.661 4.092 1.00 0.00 O ATOM 1250 CB GLN A 87 14.421 -1.250 1.481 1.00 0.00 C ATOM 1251 CG GLN A 87 14.767 -2.256 0.395 1.00 0.00 C ATOM 1252 CD GLN A 87 14.033 -3.572 0.564 1.00 0.00 C ATOM 1253 OE1 GLN A 87 14.413 -4.407 1.385 1.00 0.00 O ATOM 1254 NE2 GLN A 87 12.975 -3.765 -0.215 1.00 0.00 N ATOM 0 H GLN A 87 12.833 -0.541 -0.270 1.00 0.00 H new ATOM 0 HA GLN A 87 12.513 -2.110 1.968 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.815 -0.274 1.199 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.920 -1.540 2.406 1.00 0.00 H new ATOM 0 HG2 GLN A 87 14.524 -1.831 -0.579 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.841 -2.440 0.404 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.695 -3.046 -0.882 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.442 -4.632 -0.146 1.00 0.00 H new ATOM 1263 N LEU A 88 12.413 1.058 2.673 1.00 0.00 N ATOM 1264 CA LEU A 88 12.162 2.029 3.732 1.00 0.00 C ATOM 1265 C LEU A 88 10.773 1.834 4.331 1.00 0.00 C ATOM 1266 O LEU A 88 10.558 2.076 5.520 1.00 0.00 O ATOM 1267 CB LEU A 88 12.300 3.452 3.188 1.00 0.00 C ATOM 1268 CG LEU A 88 12.741 4.515 4.195 1.00 0.00 C ATOM 1269 CD1 LEU A 88 13.016 5.835 3.492 1.00 0.00 C ATOM 1270 CD2 LEU A 88 11.687 4.695 5.278 1.00 0.00 C ATOM 0 H LEU A 88 12.368 1.442 1.729 1.00 0.00 H new ATOM 0 HA LEU A 88 12.901 1.873 4.518 1.00 0.00 H new ATOM 0 HB2 LEU A 88 13.017 3.438 2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 88 11.341 3.754 2.768 1.00 0.00 H new ATOM 0 HG LEU A 88 13.664 4.179 4.667 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.329 6.579 4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.807 5.697 2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 88 12.110 6.177 2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 88 12.018 5.455 5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.747 5.008 4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.539 3.751 5.803 1.00 0.00 H new ATOM 1282 N LEU A 89 9.833 1.393 3.502 1.00 0.00 N ATOM 1283 CA LEU A 89 8.464 1.163 3.950 1.00 0.00 C ATOM 1284 C LEU A 89 8.351 -0.164 4.695 1.00 0.00 C ATOM 1285 O LEU A 89 7.540 -0.305 5.611 1.00 0.00 O ATOM 1286 CB LEU A 89 7.507 1.173 2.757 1.00 0.00 C ATOM 1287 CG LEU A 89 7.265 -0.176 2.078 1.00 0.00 C ATOM 1288 CD1 LEU A 89 6.091 -0.895 2.723 1.00 0.00 C ATOM 1289 CD2 LEU A 89 7.025 0.013 0.588 1.00 0.00 C ATOM 0 H LEU A 89 9.994 1.188 2.516 1.00 0.00 H new ATOM 0 HA LEU A 89 8.192 1.968 4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.547 1.566 3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.895 1.868 2.012 1.00 0.00 H new ATOM 0 HG LEU A 89 8.155 -0.791 2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.934 -1.853 2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.303 -1.064 3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.193 -0.285 2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.855 -0.957 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.151 0.647 0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.897 0.485 0.136 1.00 0.00 H new ATOM 1301 N ARG A 90 9.171 -1.131 4.298 1.00 0.00 N ATOM 1302 CA ARG A 90 9.164 -2.445 4.929 1.00 0.00 C ATOM 1303 C ARG A 90 10.154 -2.497 6.089 1.00 0.00 C ATOM 1304 O ARG A 90 10.345 -3.543 6.709 1.00 0.00 O ATOM 1305 CB ARG A 90 9.505 -3.529 3.904 1.00 0.00 C ATOM 1306 CG ARG A 90 10.799 -3.268 3.151 1.00 0.00 C ATOM 1307 CD ARG A 90 11.374 -4.551 2.570 1.00 0.00 C ATOM 1308 NE ARG A 90 11.766 -5.496 3.612 1.00 0.00 N ATOM 1309 CZ ARG A 90 11.919 -6.799 3.403 1.00 0.00 C ATOM 1310 NH1 ARG A 90 11.714 -7.308 2.197 1.00 0.00 N ATOM 1311 NH2 ARG A 90 12.278 -7.594 4.403 1.00 0.00 N ATOM 0 H ARG A 90 9.849 -1.029 3.542 1.00 0.00 H new ATOM 0 HA ARG A 90 8.163 -2.627 5.320 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.578 -4.489 4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 90 8.687 -3.610 3.188 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.616 -2.554 2.348 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.527 -2.813 3.823 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.635 -5.017 1.918 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.240 -4.313 1.952 1.00 0.00 H new ATOM 0 HE ARG A 90 11.931 -5.136 4.552 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.438 -6.699 1.427 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.832 -8.309 2.039 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.437 -7.205 5.332 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.395 -8.594 4.242 1.00 0.00 H new ATOM 1325 N SER A 91 10.783 -1.361 6.375 1.00 0.00 N ATOM 1326 CA SER A 91 11.757 -1.278 7.457 1.00 0.00 C ATOM 1327 C SER A 91 11.110 -0.744 8.731 1.00 0.00 C ATOM 1328 O SER A 91 11.766 -0.108 9.555 1.00 0.00 O ATOM 1329 CB SER A 91 12.927 -0.380 7.050 1.00 0.00 C ATOM 1330 OG SER A 91 13.846 -1.080 6.230 1.00 0.00 O ATOM 0 H SER A 91 10.635 -0.486 5.872 1.00 0.00 H new ATOM 0 HA SER A 91 12.131 -2.283 7.654 1.00 0.00 H new ATOM 0 HB2 SER A 91 12.551 0.493 6.517 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.436 -0.014 7.942 1.00 0.00 H new ATOM 0 HG SER A 91 13.858 -0.679 5.336 1.00 0.00 H new ATOM 1336 N VAL A 92 9.816 -1.008 8.885 1.00 0.00 N ATOM 1337 CA VAL A 92 9.078 -0.555 10.059 1.00 0.00 C ATOM 1338 C VAL A 92 9.039 -1.636 11.133 1.00 0.00 C ATOM 1339 O VAL A 92 9.061 -2.828 10.831 1.00 0.00 O ATOM 1340 CB VAL A 92 7.636 -0.155 9.695 1.00 0.00 C ATOM 1341 CG1 VAL A 92 6.959 0.532 10.871 1.00 0.00 C ATOM 1342 CG2 VAL A 92 7.626 0.741 8.466 1.00 0.00 C ATOM 0 H VAL A 92 9.257 -1.533 8.212 1.00 0.00 H new ATOM 0 HA VAL A 92 9.602 0.319 10.446 1.00 0.00 H new ATOM 0 HB VAL A 92 7.075 -1.060 9.462 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.941 0.807 10.595 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.933 -0.147 11.723 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.517 1.429 11.139 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.599 1.014 8.223 1.00 0.00 H new ATOM 0 HG22 VAL A 92 8.203 1.643 8.669 1.00 0.00 H new ATOM 0 HG23 VAL A 92 8.069 0.209 7.624 1.00 0.00 H new ATOM 1352 N GLY A 93 8.980 -1.210 12.391 1.00 0.00 N ATOM 1353 CA GLY A 93 8.937 -2.154 13.493 1.00 0.00 C ATOM 1354 C GLY A 93 7.523 -2.567 13.849 1.00 0.00 C ATOM 1355 O GLY A 93 7.085 -3.665 13.506 1.00 0.00 O ATOM 0 H GLY A 93 8.961 -0.228 12.667 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.516 -3.040 13.231 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.413 -1.709 14.367 1.00 0.00 H new ATOM 1359 N ASP A 94 6.808 -1.686 14.540 1.00 0.00 N ATOM 1360 CA ASP A 94 5.434 -1.965 14.944 1.00 0.00 C ATOM 1361 C ASP A 94 4.486 -0.891 14.421 1.00 0.00 C ATOM 1362 O ASP A 94 3.272 -1.092 14.366 1.00 0.00 O ATOM 1363 CB ASP A 94 5.336 -2.053 16.467 1.00 0.00 C ATOM 1364 CG ASP A 94 5.986 -0.871 17.159 1.00 0.00 C ATOM 1365 OD1 ASP A 94 7.147 -0.553 16.825 1.00 0.00 O ATOM 1366 OD2 ASP A 94 5.334 -0.263 18.033 1.00 0.00 O ATOM 0 H ASP A 94 7.156 -0.773 14.832 1.00 0.00 H new ATOM 0 HA ASP A 94 5.141 -2.923 14.514 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.287 -2.109 16.758 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.810 -2.974 16.806 1.00 0.00 H new ATOM 1371 N THR A 95 5.047 0.253 14.039 1.00 0.00 N ATOM 1372 CA THR A 95 4.251 1.360 13.524 1.00 0.00 C ATOM 1373 C THR A 95 5.125 2.367 12.785 1.00 0.00 C ATOM 1374 O THR A 95 6.215 2.713 13.244 1.00 0.00 O ATOM 1375 CB THR A 95 3.496 2.083 14.655 1.00 0.00 C ATOM 1376 OG1 THR A 95 2.694 1.149 15.384 1.00 0.00 O ATOM 1377 CG2 THR A 95 2.613 3.189 14.095 1.00 0.00 C ATOM 0 H THR A 95 6.050 0.436 14.077 1.00 0.00 H new ATOM 0 HA THR A 95 3.527 0.934 12.830 1.00 0.00 H new ATOM 0 HB THR A 95 4.231 2.530 15.325 1.00 0.00 H new ATOM 0 HG1 THR A 95 2.565 0.340 14.847 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.090 3.686 14.912 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.230 3.915 13.565 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.886 2.760 13.406 1.00 0.00 H new ATOM 1385 N LEU A 96 4.641 2.836 11.640 1.00 0.00 N ATOM 1386 CA LEU A 96 5.378 3.806 10.838 1.00 0.00 C ATOM 1387 C LEU A 96 4.588 5.102 10.689 1.00 0.00 C ATOM 1388 O LEU A 96 3.407 5.165 11.031 1.00 0.00 O ATOM 1389 CB LEU A 96 5.691 3.223 9.458 1.00 0.00 C ATOM 1390 CG LEU A 96 4.661 3.502 8.363 1.00 0.00 C ATOM 1391 CD1 LEU A 96 5.237 3.180 6.993 1.00 0.00 C ATOM 1392 CD2 LEU A 96 3.390 2.702 8.610 1.00 0.00 C ATOM 0 H LEU A 96 3.741 2.560 11.246 1.00 0.00 H new ATOM 0 HA LEU A 96 6.313 4.030 11.351 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.655 3.613 9.131 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.802 2.143 9.558 1.00 0.00 H new ATOM 0 HG LEU A 96 4.410 4.562 8.389 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.489 3.385 6.227 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.118 3.797 6.815 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.517 2.127 6.954 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.668 2.913 7.821 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.625 1.638 8.612 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.966 2.982 9.574 1.00 0.00 H new ATOM 1404 N THR A 97 5.247 6.135 10.173 1.00 0.00 N ATOM 1405 CA THR A 97 4.607 7.429 9.977 1.00 0.00 C ATOM 1406 C THR A 97 4.618 7.831 8.506 1.00 0.00 C ATOM 1407 O THR A 97 5.627 8.313 7.992 1.00 0.00 O ATOM 1408 CB THR A 97 5.299 8.529 10.803 1.00 0.00 C ATOM 1409 OG1 THR A 97 5.653 8.023 12.095 1.00 0.00 O ATOM 1410 CG2 THR A 97 4.392 9.741 10.958 1.00 0.00 C ATOM 0 H THR A 97 6.224 6.100 9.883 1.00 0.00 H new ATOM 0 HA THR A 97 3.576 7.326 10.315 1.00 0.00 H new ATOM 0 HB THR A 97 6.201 8.836 10.274 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.094 8.728 12.613 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.902 10.505 11.545 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.149 10.142 9.974 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.474 9.446 11.466 1.00 0.00 H new ATOM 1418 N VAL A 98 3.489 7.630 7.834 1.00 0.00 N ATOM 1419 CA VAL A 98 3.368 7.973 6.422 1.00 0.00 C ATOM 1420 C VAL A 98 2.725 9.343 6.243 1.00 0.00 C ATOM 1421 O VAL A 98 1.681 9.633 6.830 1.00 0.00 O ATOM 1422 CB VAL A 98 2.538 6.924 5.659 1.00 0.00 C ATOM 1423 CG1 VAL A 98 2.959 5.517 6.056 1.00 0.00 C ATOM 1424 CG2 VAL A 98 1.052 7.136 5.910 1.00 0.00 C ATOM 0 H VAL A 98 2.645 7.231 8.245 1.00 0.00 H new ATOM 0 HA VAL A 98 4.378 7.993 6.013 1.00 0.00 H new ATOM 0 HB VAL A 98 2.724 7.045 4.592 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.361 4.790 5.506 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.013 5.373 5.820 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.804 5.379 7.126 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.480 6.386 5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.846 7.043 6.976 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.764 8.131 5.570 1.00 0.00 H new ATOM 1434 N LEU A 99 3.352 10.183 5.427 1.00 0.00 N ATOM 1435 CA LEU A 99 2.841 11.525 5.169 1.00 0.00 C ATOM 1436 C LEU A 99 2.077 11.572 3.850 1.00 0.00 C ATOM 1437 O LEU A 99 1.959 12.626 3.226 1.00 0.00 O ATOM 1438 CB LEU A 99 3.990 12.534 5.142 1.00 0.00 C ATOM 1439 CG LEU A 99 3.590 14.009 5.189 1.00 0.00 C ATOM 1440 CD1 LEU A 99 2.810 14.310 6.459 1.00 0.00 C ATOM 1441 CD2 LEU A 99 4.820 14.899 5.093 1.00 0.00 C ATOM 0 H LEU A 99 4.215 9.959 4.932 1.00 0.00 H new ATOM 0 HA LEU A 99 2.155 11.787 5.975 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.647 12.329 5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.574 12.365 4.237 1.00 0.00 H new ATOM 0 HG LEU A 99 2.947 14.219 4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.534 15.364 6.475 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.908 13.698 6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.428 14.084 7.328 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.516 15.945 5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.488 14.687 5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.338 14.703 4.154 1.00 0.00 H new ATOM 1453 N VAL A 100 1.558 10.422 3.431 1.00 0.00 N ATOM 1454 CA VAL A 100 0.802 10.332 2.187 1.00 0.00 C ATOM 1455 C VAL A 100 -0.447 11.204 2.239 1.00 0.00 C ATOM 1456 O VAL A 100 -0.783 11.763 3.284 1.00 0.00 O ATOM 1457 CB VAL A 100 0.389 8.879 1.885 1.00 0.00 C ATOM 1458 CG1 VAL A 100 1.544 7.928 2.159 1.00 0.00 C ATOM 1459 CG2 VAL A 100 -0.835 8.493 2.701 1.00 0.00 C ATOM 0 H VAL A 100 1.647 9.540 3.935 1.00 0.00 H new ATOM 0 HA VAL A 100 1.457 10.688 1.392 1.00 0.00 H new ATOM 0 HB VAL A 100 0.131 8.805 0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.234 6.906 1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.391 8.193 1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.836 8.002 3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.113 7.464 2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.607 8.583 3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.663 9.156 2.450 1.00 0.00 H new ATOM 1469 N CYS A 101 -1.132 11.315 1.106 1.00 0.00 N ATOM 1470 CA CYS A 101 -2.345 12.120 1.022 1.00 0.00 C ATOM 1471 C CYS A 101 -3.148 11.764 -0.225 1.00 0.00 C ATOM 1472 O CYS A 101 -2.629 11.144 -1.153 1.00 0.00 O ATOM 1473 CB CYS A 101 -1.995 13.608 1.011 1.00 0.00 C ATOM 1474 SG CYS A 101 -1.665 14.277 -0.636 1.00 0.00 S ATOM 0 H CYS A 101 -0.868 10.858 0.233 1.00 0.00 H new ATOM 0 HA CYS A 101 -2.956 11.905 1.899 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -2.816 14.167 1.460 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -1.119 13.769 1.639 1.00 0.00 H new ATOM 0 HG CYS A 101 -1.381 15.542 -0.542 1.00 0.00 H new ATOM 1480 N ASP A 102 -4.416 12.160 -0.239 1.00 0.00 N ATOM 1481 CA ASP A 102 -5.291 11.883 -1.372 1.00 0.00 C ATOM 1482 C ASP A 102 -4.675 12.391 -2.672 1.00 0.00 C ATOM 1483 O ASP A 102 -4.817 13.562 -3.022 1.00 0.00 O ATOM 1484 CB ASP A 102 -6.661 12.529 -1.156 1.00 0.00 C ATOM 1485 CG ASP A 102 -7.220 12.252 0.226 1.00 0.00 C ATOM 1486 OD1 ASP A 102 -6.484 12.455 1.215 1.00 0.00 O ATOM 1487 OD2 ASP A 102 -8.392 11.834 0.318 1.00 0.00 O ATOM 0 H ASP A 102 -4.861 12.674 0.522 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.415 10.803 -1.448 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.579 13.606 -1.302 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.357 12.157 -1.908 1.00 0.00 H new ATOM 1492 N GLY A 103 -3.988 11.501 -3.383 1.00 0.00 N ATOM 1493 CA GLY A 103 -3.359 11.879 -4.635 1.00 0.00 C ATOM 1494 C GLY A 103 -4.282 11.702 -5.824 1.00 0.00 C ATOM 1495 O GLY A 103 -4.405 12.595 -6.663 1.00 0.00 O ATOM 0 H GLY A 103 -3.856 10.526 -3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.040 12.920 -4.578 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.462 11.278 -4.783 1.00 0.00 H new